smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@H]1CCCC12OCCO2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001167389489 774274430 /nfs/dbraw/zinc/27/44/30/774274430.db2.gz UDYOQFJUSAFOFW-HNNXBMFYSA-N 1 2 358.354 1.806 20 5 FDBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2noc(Cc3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063942 777690303 /nfs/dbraw/zinc/69/03/03/777690303.db2.gz QFMYREWATZATJA-LXTVHRRPSA-N 1 2 371.397 1.062 20 5 FDBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnc(Cc3ccccc3)o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063535 777705144 /nfs/dbraw/zinc/70/51/44/777705144.db2.gz DCERJDLCRQJWRN-LXTVHRRPSA-N 1 2 371.397 1.062 20 5 FDBDLO COC(=O)c1cnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000276591272 778313461 /nfs/dbraw/zinc/31/34/61/778313461.db2.gz PXZVIZHVSJWRMA-UHFFFAOYSA-N 1 2 372.381 1.804 20 5 FDBDLO O=C1C[C@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000277154491 780905337 /nfs/dbraw/zinc/90/53/37/780905337.db2.gz WLZYNZMCIKGOSE-HNNXBMFYSA-N 1 2 368.349 1.386 20 5 FDBDLO O=C1C[C@H]([N@H+]2CCc3cc[nH]c(=O)c3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000277154491 780905340 /nfs/dbraw/zinc/90/53/40/780905340.db2.gz WLZYNZMCIKGOSE-HNNXBMFYSA-N 1 2 368.349 1.386 20 5 FDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364952812 785247392 /nfs/dbraw/zinc/24/73/92/785247392.db2.gz DKTOMDSNYKIKQE-LNSITVRQSA-N 1 2 357.370 1.731 20 5 FDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364952812 785247396 /nfs/dbraw/zinc/24/73/96/785247396.db2.gz DKTOMDSNYKIKQE-LNSITVRQSA-N 1 2 357.370 1.731 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@H](n2cccn2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000365127881 785294640 /nfs/dbraw/zinc/29/46/40/785294640.db2.gz LYTYKVXGUFZCCB-GFCCVEGCSA-N 1 2 373.369 1.796 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@H](n2cccn2)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000365127881 785294647 /nfs/dbraw/zinc/29/46/47/785294647.db2.gz LYTYKVXGUFZCCB-GFCCVEGCSA-N 1 2 373.369 1.796 20 5 FDBDLO O=C(Nc1cc2n(n1)CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000376262749 787058258 /nfs/dbraw/zinc/05/82/58/787058258.db2.gz UFZCUVDFJUIXDJ-UHFFFAOYSA-N 1 2 352.354 2.566 20 5 FDBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nc2ncccn2n1 ZINC000414269888 787517217 /nfs/dbraw/zinc/51/72/17/787517217.db2.gz PMAPYLFWXPWHRN-LLVKDONJSA-N 1 2 355.358 1.539 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377441959 791846254 /nfs/dbraw/zinc/84/62/54/791846254.db2.gz KHUDPMCHOLQGRQ-UHFFFAOYSA-N 1 2 358.289 1.727 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000279359113 808944433 /nfs/dbraw/zinc/94/44/33/808944433.db2.gz RQBCRSJIQRMJIY-ZDUSSCGKSA-N 1 2 358.398 1.936 20 5 FDBDLO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000433780130 811448891 /nfs/dbraw/zinc/44/88/91/811448891.db2.gz AIDIXEQYPRETSB-SWLSCSKDSA-N 1 2 359.386 1.802 20 5 FDBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000429674769 820711451 /nfs/dbraw/zinc/71/14/51/820711451.db2.gz LGXXWKAWHHWUIY-SFHVURJKSA-N 1 2 372.381 1.657 20 5 FDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000521740934 821346423 /nfs/dbraw/zinc/34/64/23/821346423.db2.gz JAUUJEOCSZKPAL-UHFFFAOYSA-N 1 2 357.330 1.101 20 5 FDBDLO C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896546001 824541988 /nfs/dbraw/zinc/54/19/88/824541988.db2.gz SLXWFPHTKRZDPS-BONVTDFDSA-N 1 2 372.828 1.680 20 5 FDBDLO C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896546001 824541991 /nfs/dbraw/zinc/54/19/91/824541991.db2.gz SLXWFPHTKRZDPS-BONVTDFDSA-N 1 2 372.828 1.680 20 5 FDBDLO C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897053599 826833753 /nfs/dbraw/zinc/83/37/53/826833753.db2.gz CKZVGIWFTPBHFZ-HUUCEWRRSA-N 1 2 362.430 1.814 20 5 FDBDLO CC(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448578653 829179991 /nfs/dbraw/zinc/17/99/91/829179991.db2.gz AWUGSUYDWYCXBA-UHFFFAOYSA-N 1 2 371.397 1.721 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000450098641 829800324 /nfs/dbraw/zinc/80/03/24/829800324.db2.gz ARLKLRNOSLGOPX-KBPBESRZSA-N 1 2 369.381 1.664 20 5 FDBDLO CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(C)(C)C1 ZINC000450624322 830044581 /nfs/dbraw/zinc/04/45/81/830044581.db2.gz ONRUVBMJQGQPOW-UHFFFAOYSA-N 1 2 371.397 1.863 20 5 FDBDLO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000451277344 830322874 /nfs/dbraw/zinc/32/28/74/830322874.db2.gz RGFRGRDAISCUOL-ZDUSSCGKSA-N 1 2 373.413 1.514 20 5 FDBDLO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000451277344 830322877 /nfs/dbraw/zinc/32/28/77/830322877.db2.gz RGFRGRDAISCUOL-ZDUSSCGKSA-N 1 2 373.413 1.514 20 5 FDBDLO O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451540981 830389522 /nfs/dbraw/zinc/38/95/22/830389522.db2.gz HCCOKUIIIYLOCG-SUMWQHHRSA-N 1 2 369.381 1.568 20 5 FDBDLO COc1cc(OCC(=O)N[C@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898490954 844763225 /nfs/dbraw/zinc/76/32/25/844763225.db2.gz KHBCVCLKCSSLES-LBPRGKRZSA-N 1 2 355.366 1.532 20 5 FDBDLO COc1cc(OCC(=O)N[C@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898490954 844763232 /nfs/dbraw/zinc/76/32/32/844763232.db2.gz KHBCVCLKCSSLES-LBPRGKRZSA-N 1 2 355.366 1.532 20 5 FDBDLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000899057533 845687251 /nfs/dbraw/zinc/68/72/51/845687251.db2.gz FZSTTWKFSNFVFW-UHFFFAOYSA-N 1 2 355.778 1.427 20 5 FDBDLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000899057533 845687260 /nfs/dbraw/zinc/68/72/60/845687260.db2.gz FZSTTWKFSNFVFW-UHFFFAOYSA-N 1 2 355.778 1.427 20 5 FDBDLO Cn1cc([C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cn1 ZINC000913475685 862199246 /nfs/dbraw/zinc/19/92/46/862199246.db2.gz NFAATUYBTRKHAX-HNNXBMFYSA-N 1 2 361.427 1.594 20 5 FDBDLO CCCCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001105706912 856006576 /nfs/dbraw/zinc/00/65/76/856006576.db2.gz DHKYQNRPMHCOCD-IAGOWNOFSA-N 1 2 369.462 1.160 20 5 FDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000488304214 857677978 /nfs/dbraw/zinc/67/79/78/857677978.db2.gz XBVJWHGTOYRDRQ-ZDUSSCGKSA-N 1 2 363.422 1.572 20 5 FDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000488578731 858305658 /nfs/dbraw/zinc/30/56/58/858305658.db2.gz HFWLZIYNMNWHCD-INIZCTEOSA-N 1 2 362.336 1.984 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000760808801 863271587 /nfs/dbraw/zinc/27/15/87/863271587.db2.gz RRVXJKRGBARLHB-AWEZNQCLSA-N 1 2 353.444 1.542 20 5 FDBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000174197193 866333421 /nfs/dbraw/zinc/33/34/21/866333421.db2.gz BHSVKSNASOKEKS-UHFFFAOYSA-N 1 2 372.429 1.643 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000470449000 875635556 /nfs/dbraw/zinc/63/55/56/875635556.db2.gz CECGWWXJJUBOHH-CYBMUJFWSA-N 1 2 358.398 1.984 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000470449000 875635561 /nfs/dbraw/zinc/63/55/61/875635561.db2.gz CECGWWXJJUBOHH-CYBMUJFWSA-N 1 2 358.398 1.984 20 5 FDBDLO CC[C@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000470452534 876376710 /nfs/dbraw/zinc/37/67/10/876376710.db2.gz QQDHANIOFCULFT-HNNXBMFYSA-N 1 2 360.414 1.846 20 5 FDBDLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000470452534 876376726 /nfs/dbraw/zinc/37/67/26/876376726.db2.gz QQDHANIOFCULFT-HNNXBMFYSA-N 1 2 360.414 1.846 20 5 FDBDLO O=C(NCCn1ccccc1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000497977345 883951226 /nfs/dbraw/zinc/95/12/26/883951226.db2.gz ZGXZMPHGXJPSES-UHFFFAOYSA-N 1 2 353.338 1.372 20 5 FDBDLO O=C(CC[NH+]1CCOCC1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000765841656 896750041 /nfs/dbraw/zinc/75/00/41/896750041.db2.gz RUJUYUJKWWQDOX-MRXNPFEDSA-N 1 2 351.428 1.891 20 5 FDBDLO Cc1cc(OCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000823784625 922089396 /nfs/dbraw/zinc/08/93/96/922089396.db2.gz NHRFIOAFINKWSM-XJKSGUPXSA-N 1 2 350.419 1.033 20 5 FDBDLO Cc1cc(OCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000823784625 922089414 /nfs/dbraw/zinc/08/94/14/922089414.db2.gz NHRFIOAFINKWSM-XJKSGUPXSA-N 1 2 350.419 1.033 20 5 FDBDLO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084287 925920899 /nfs/dbraw/zinc/92/08/99/925920899.db2.gz LGIDTNAZQZPTAS-SASUGWTJSA-N 1 2 351.432 1.065 20 5 FDBDLO Cc1cc(=O)c(C(=O)N2CC[N@H+](C)[C@H](C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000742194274 925964360 /nfs/dbraw/zinc/96/43/60/925964360.db2.gz GPYHDHZOMHVTHR-CYBMUJFWSA-N 1 2 371.397 1.225 20 5 FDBDLO Cc1cc(=O)c(C(=O)N2CC[N@@H+](C)[C@H](C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000742194274 925964362 /nfs/dbraw/zinc/96/43/62/925964362.db2.gz GPYHDHZOMHVTHR-CYBMUJFWSA-N 1 2 371.397 1.225 20 5 FDBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCc1ccccn1 ZINC000744407085 926666361 /nfs/dbraw/zinc/66/63/61/926666361.db2.gz KTXPDBITMJDXDN-AWEZNQCLSA-N 1 2 356.386 1.187 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCc1ccccn1 ZINC000744407085 926666366 /nfs/dbraw/zinc/66/63/66/926666366.db2.gz KTXPDBITMJDXDN-AWEZNQCLSA-N 1 2 356.386 1.187 20 5 FDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000804336976 928878148 /nfs/dbraw/zinc/87/81/48/928878148.db2.gz SIMFUPWJVZSWOT-CYBMUJFWSA-N 1 2 371.397 1.373 20 5 FDBDLO Cc1ccc(OS(=O)(=O)CCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000867011291 928949332 /nfs/dbraw/zinc/94/93/32/928949332.db2.gz MJIRITKOQQRHOF-UHFFFAOYSA-N 1 2 357.432 1.249 20 5 FDBDLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772038552 931019272 /nfs/dbraw/zinc/01/92/72/931019272.db2.gz QLLGSKIXGOCRMW-FZMZJTMJSA-N 1 2 367.427 1.902 20 5 FDBDLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772038552 931019281 /nfs/dbraw/zinc/01/92/81/931019281.db2.gz QLLGSKIXGOCRMW-FZMZJTMJSA-N 1 2 367.427 1.902 20 5 FDBDLO COC(=O)[C@H]1CC[N@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)[C@H]1C ZINC000787237383 932238851 /nfs/dbraw/zinc/23/88/51/932238851.db2.gz FXJCXHDIHZINNP-KBPBESRZSA-N 1 2 374.397 1.697 20 5 FDBDLO COC(=O)[C@H]1CC[N@@H+](Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)[C@H]1C ZINC000787237383 932238856 /nfs/dbraw/zinc/23/88/56/932238856.db2.gz FXJCXHDIHZINNP-KBPBESRZSA-N 1 2 374.397 1.697 20 5 FDBDLO Cc1cccc(C)c1OCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001112835786 932560929 /nfs/dbraw/zinc/56/09/29/932560929.db2.gz PCKNQIIMRPPTIW-IAGOWNOFSA-N 1 2 361.442 1.882 20 5 FDBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccn2cc[nH+]c2c1 ZINC001129593769 938467090 /nfs/dbraw/zinc/46/70/90/938467090.db2.gz GURWLKWKJVCPOR-UHFFFAOYSA-N 1 2 365.305 1.477 20 5 FDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000805471554 938749495 /nfs/dbraw/zinc/74/94/95/938749495.db2.gz NMZUAYNKFDWNGE-CQSZACIVSA-N 1 2 351.359 1.106 20 5 FDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000805471554 938749496 /nfs/dbraw/zinc/74/94/96/938749496.db2.gz NMZUAYNKFDWNGE-CQSZACIVSA-N 1 2 351.359 1.106 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)C[NH2+]1 ZINC001158259510 940519328 /nfs/dbraw/zinc/51/93/28/940519328.db2.gz NKIWFZYLKIYZJF-HQJQHLMTSA-N 1 2 351.750 1.507 20 5 FDBDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCCn1ccc([N+](=O)[O-])n1 ZINC000811328803 941118084 /nfs/dbraw/zinc/11/80/84/941118084.db2.gz SWNUKMUZKVQQPS-UHFFFAOYSA-N 1 2 355.354 1.822 20 5 FDBDLO Cc1cc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1C ZINC001133497760 941293736 /nfs/dbraw/zinc/29/37/36/941293736.db2.gz CFQMILHJQKKINU-UHFFFAOYSA-N 1 2 354.370 1.795 20 5 FDBDLO COc1ccc(C(=O)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC001171005794 945444436 /nfs/dbraw/zinc/44/44/36/945444436.db2.gz ZNFBZAROKUIWLZ-LBPRGKRZSA-N 1 2 358.354 1.361 20 5 FDBDLO COC(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000856444406 971154766 /nfs/dbraw/zinc/15/47/66/971154766.db2.gz HJCITERSIOWLSB-UHFFFAOYSA-N 1 2 373.369 1.741 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001144291782 948600994 /nfs/dbraw/zinc/60/09/94/948600994.db2.gz RCEKPXBVXIQESL-UHFFFAOYSA-N 1 2 369.393 1.463 20 5 FDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000845123850 948707834 /nfs/dbraw/zinc/70/78/34/948707834.db2.gz FPPUXPYIVUEROW-CQSZACIVSA-N 1 2 352.343 1.145 20 5 FDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000845123850 948707837 /nfs/dbraw/zinc/70/78/37/948707837.db2.gz FPPUXPYIVUEROW-CQSZACIVSA-N 1 2 352.343 1.145 20 5 FDBDLO 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PNSKPJJVNDUUDD-LBPRGKRZSA-N 1 2 370.365 1.770 20 5 FDBDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378751 540239909 /nfs/dbraw/zinc/23/99/09/540239909.db2.gz PKNIEAMFOLGZLH-ZDUSSCGKSA-N 1 2 373.417 1.465 20 5 FDBDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533378751 540239911 /nfs/dbraw/zinc/23/99/11/540239911.db2.gz PKNIEAMFOLGZLH-ZDUSSCGKSA-N 1 2 373.417 1.465 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OCCO)CC1 ZINC000534515569 540375639 /nfs/dbraw/zinc/37/56/39/540375639.db2.gz IGNQOXXFUIPREB-LBPRGKRZSA-N 1 2 367.402 1.404 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCN1CCCC1=O ZINC000535724345 540498779 /nfs/dbraw/zinc/49/87/79/540498779.db2.gz VMSAFIVMGGHXQS-GFCCVEGCSA-N 1 2 364.402 1.485 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCN1CCCC1=O ZINC000535724345 540498781 /nfs/dbraw/zinc/49/87/81/540498781.db2.gz VMSAFIVMGGHXQS-GFCCVEGCSA-N 1 2 364.402 1.485 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000539373063 540952348 /nfs/dbraw/zinc/95/23/48/540952348.db2.gz KXAATRMMSYIBJZ-UHFFFAOYSA-N 1 2 354.388 1.559 20 5 FDBDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000275480986 181329293 /nfs/dbraw/zinc/32/92/93/181329293.db2.gz DYRFJZDKCAUXGM-GDBMZVCRSA-N 1 2 365.386 1.230 20 5 FDBDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000275480986 181329295 /nfs/dbraw/zinc/32/92/95/181329295.db2.gz DYRFJZDKCAUXGM-GDBMZVCRSA-N 1 2 365.386 1.230 20 5 FDBDLO CCNC(=O)C[N@@H+]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000542971401 541511328 /nfs/dbraw/zinc/51/13/28/541511328.db2.gz MOUBQJQIMVXXDC-UHFFFAOYSA-N 1 2 364.402 1.030 20 5 FDBDLO CCNC(=O)C[N@H+]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000542971401 541511334 /nfs/dbraw/zinc/51/13/34/541511334.db2.gz MOUBQJQIMVXXDC-UHFFFAOYSA-N 1 2 364.402 1.030 20 5 FDBDLO COc1ccc(C(=O)NCC(=O)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000542962917 541509884 /nfs/dbraw/zinc/50/98/84/541509884.db2.gz KPHJSAPZFUSFQP-UHFFFAOYSA-N 1 2 358.354 1.984 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000543170209 541542361 /nfs/dbraw/zinc/54/23/61/541542361.db2.gz QSBSVCBQGKVTSI-QWRGUYRKSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000543170209 541542364 /nfs/dbraw/zinc/54/23/64/541542364.db2.gz QSBSVCBQGKVTSI-QWRGUYRKSA-N 1 2 371.415 1.095 20 5 FDBDLO NS(=O)(=O)c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269856879 674121730 /nfs/dbraw/zinc/12/17/30/674121730.db2.gz HQNYHCZZFUAFSR-NSHDSACASA-N 1 2 363.399 1.328 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282430368 182009804 /nfs/dbraw/zinc/00/98/04/182009804.db2.gz UJXSLWITYLPWGO-CYBMUJFWSA-N 1 2 358.402 1.730 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282565721 182025797 /nfs/dbraw/zinc/02/57/97/182025797.db2.gz YMGHRLWOLOZEPN-AWEZNQCLSA-N 1 2 350.419 1.499 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[C@@H](C)C1 ZINC000284082904 182359831 /nfs/dbraw/zinc/35/98/31/182359831.db2.gz FBPOMJSSBNPQQJ-LBPRGKRZSA-N 1 2 367.377 1.752 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)[C@@H](C)C1 ZINC000284082904 182359833 /nfs/dbraw/zinc/35/98/33/182359833.db2.gz FBPOMJSSBNPQQJ-LBPRGKRZSA-N 1 2 367.377 1.752 20 5 FDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000284110649 182368448 /nfs/dbraw/zinc/36/84/48/182368448.db2.gz WQZXTTMFQNBUQB-AWEZNQCLSA-N 1 2 373.413 1.435 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286326752 183040398 /nfs/dbraw/zinc/04/03/98/183040398.db2.gz LGESQCXXYGYEHO-WCQYABFASA-N 1 2 359.386 1.543 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000286491693 183080180 /nfs/dbraw/zinc/08/01/80/183080180.db2.gz XKRCEGBCQJOREK-GXTWGEPZSA-N 1 2 360.414 1.779 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286636700 183115999 /nfs/dbraw/zinc/11/59/99/183115999.db2.gz DAUQCJUNWZKCDS-XHDPSFHLSA-N 1 2 364.358 1.438 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286850711 183159211 /nfs/dbraw/zinc/15/92/11/183159211.db2.gz FTUYWZZTJVQITO-GXTWGEPZSA-N 1 2 364.402 1.930 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000287633540 183342047 /nfs/dbraw/zinc/34/20/47/183342047.db2.gz ZSIQBKUKCLIEFJ-NEPJUHHUSA-N 1 2 351.407 1.206 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000287633540 183342051 /nfs/dbraw/zinc/34/20/51/183342051.db2.gz ZSIQBKUKCLIEFJ-NEPJUHHUSA-N 1 2 351.407 1.206 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296999648 184223894 /nfs/dbraw/zinc/22/38/94/184223894.db2.gz ZWJUEKKIGRCGGI-NWDGAFQWSA-N 1 2 350.375 1.694 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296999648 184223895 /nfs/dbraw/zinc/22/38/95/184223895.db2.gz ZWJUEKKIGRCGGI-NWDGAFQWSA-N 1 2 350.375 1.694 20 5 FDBDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298088097 184389532 /nfs/dbraw/zinc/38/95/32/184389532.db2.gz MLAGMLGMYTTWIE-HNNXBMFYSA-N 1 2 361.446 1.903 20 5 FDBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298011785 184374903 /nfs/dbraw/zinc/37/49/03/184374903.db2.gz CLQMHJJXXJRWLP-HUUCEWRRSA-N 1 2 361.446 1.901 20 5 FDBDLO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000120391921 258261223 /nfs/dbraw/zinc/26/12/23/258261223.db2.gz FKOCEOGEKHDRBE-LLCTXKFZSA-N 1 2 365.455 1.413 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000550225840 543042426 /nfs/dbraw/zinc/04/24/26/543042426.db2.gz TUWXKVCHLVHLAI-AWEZNQCLSA-N 1 2 374.401 1.263 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000550225840 543042428 /nfs/dbraw/zinc/04/24/28/543042428.db2.gz TUWXKVCHLVHLAI-AWEZNQCLSA-N 1 2 374.401 1.263 20 5 FDBDLO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552047266 543411130 /nfs/dbraw/zinc/41/11/30/543411130.db2.gz GCKKMBZXGYHQEY-DLBZAZTESA-N 1 2 360.414 1.795 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C2 ZINC000552008771 543403799 /nfs/dbraw/zinc/40/37/99/543403799.db2.gz ZKXXDKNOCSGYAW-CYBMUJFWSA-N 1 2 358.398 1.688 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000173454151 258299713 /nfs/dbraw/zinc/29/97/13/258299713.db2.gz QHTOFDSNNRDUJY-ZDUSSCGKSA-N 1 2 370.475 1.065 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000072538493 172043290 /nfs/dbraw/zinc/04/32/90/172043290.db2.gz SZXSMJIAOZWKLL-OAHLLOKOSA-N 1 2 369.443 1.389 20 5 FDBDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000073157603 172058565 /nfs/dbraw/zinc/05/85/65/172058565.db2.gz FAABKJDXVTVTFF-UHFFFAOYSA-N 1 2 354.794 1.645 20 5 FDBDLO CCOC(=O)c1ccnc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000077902662 172141158 /nfs/dbraw/zinc/14/11/58/172141158.db2.gz ALSMDVZRWHNYLM-UHFFFAOYSA-N 1 2 357.370 1.888 20 5 FDBDLO C[C@@]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)(C(N)=O)c1ccccc1 ZINC000101548737 172334861 /nfs/dbraw/zinc/33/48/61/172334861.db2.gz YJWIDENGMMLXBJ-IBGZPJMESA-N 1 2 368.393 1.474 20 5 FDBDLO COc1ccccc1C[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000102760334 172354267 /nfs/dbraw/zinc/35/42/67/172354267.db2.gz HBRPIJUJOKMHFU-UHFFFAOYSA-N 1 2 359.386 1.144 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000132601994 173237580 /nfs/dbraw/zinc/23/75/80/173237580.db2.gz ZESLBBIXJHIXLB-ROUUACIJSA-N 1 2 373.409 1.581 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000132601994 173237584 /nfs/dbraw/zinc/23/75/84/173237584.db2.gz ZESLBBIXJHIXLB-ROUUACIJSA-N 1 2 373.409 1.581 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135744184 173352715 /nfs/dbraw/zinc/35/27/15/173352715.db2.gz UOQOXCGJCYZZMN-OAHLLOKOSA-N 1 2 369.443 1.603 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135744184 173352716 /nfs/dbraw/zinc/35/27/16/173352716.db2.gz UOQOXCGJCYZZMN-OAHLLOKOSA-N 1 2 369.443 1.603 20 5 FDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151139656 173391926 /nfs/dbraw/zinc/39/19/26/173391926.db2.gz KHXPKLHEUSRKBK-GFCCVEGCSA-N 1 2 367.358 1.971 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000151155646 173392052 /nfs/dbraw/zinc/39/20/52/173392052.db2.gz CUOVNHLLOFWKIP-CYBMUJFWSA-N 1 2 367.358 1.971 20 5 FDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175465176 174008221 /nfs/dbraw/zinc/00/82/21/174008221.db2.gz HDTAKHLIUOJSKC-UHFFFAOYSA-N 1 2 373.406 1.219 20 5 FDBDLO O=C1NCC[C@@H]1[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178283154 174180747 /nfs/dbraw/zinc/18/07/47/174180747.db2.gz WVHNNHGXPJJKDF-LBPRGKRZSA-N 1 2 358.320 1.624 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178442618 174188629 /nfs/dbraw/zinc/18/86/29/174188629.db2.gz IGHFWPIVIJANED-UHFFFAOYSA-N 1 2 374.372 1.240 20 5 FDBDLO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179486670 258351730 /nfs/dbraw/zinc/35/17/30/258351730.db2.gz WWKRHKZGCOBYIX-HNNXBMFYSA-N 1 2 362.430 1.543 20 5 FDBDLO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179486670 258351731 /nfs/dbraw/zinc/35/17/31/258351731.db2.gz WWKRHKZGCOBYIX-HNNXBMFYSA-N 1 2 362.430 1.543 20 5 FDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000178728978 258333595 /nfs/dbraw/zinc/33/35/95/258333595.db2.gz IIHGYVGKDIAXOP-OAHLLOKOSA-N 1 2 350.400 1.786 20 5 FDBDLO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247518746 258399005 /nfs/dbraw/zinc/39/90/05/258399005.db2.gz NDTCDEVKVKWBNM-UKRRQHHQSA-N 1 2 350.375 1.381 20 5 FDBDLO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247518746 258399006 /nfs/dbraw/zinc/39/90/06/258399006.db2.gz NDTCDEVKVKWBNM-UKRRQHHQSA-N 1 2 350.375 1.381 20 5 FDBDLO CCOCC[NH+]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000265968723 258420434 /nfs/dbraw/zinc/42/04/34/258420434.db2.gz UEIKQCSLRCHNBN-UHFFFAOYSA-N 1 2 367.402 1.406 20 5 FDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278819219 258514681 /nfs/dbraw/zinc/51/46/81/258514681.db2.gz HHLXZMYLCGTEMS-HWPZZCPQSA-N 1 2 366.805 1.787 20 5 FDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278819219 258514682 /nfs/dbraw/zinc/51/46/82/258514682.db2.gz HHLXZMYLCGTEMS-HWPZZCPQSA-N 1 2 366.805 1.787 20 5 FDBDLO CNc1nccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000553364999 543619655 /nfs/dbraw/zinc/61/96/55/543619655.db2.gz HFMMBTLFUMSMAK-UHFFFAOYSA-N 1 2 352.354 2.147 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000556836675 544211231 /nfs/dbraw/zinc/21/12/31/544211231.db2.gz YSFDOLIPTUDGGA-SNVBAGLBSA-N 1 2 350.400 1.441 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000557492388 544298963 /nfs/dbraw/zinc/29/89/63/544298963.db2.gz RMOHJZWFDSRUAA-OAHLLOKOSA-N 1 2 367.369 1.790 20 5 FDBDLO COc1cc[nH+]cc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000558248023 544404214 /nfs/dbraw/zinc/40/42/14/544404214.db2.gz NYSLFASKYUVPAA-LBPRGKRZSA-N 1 2 374.353 1.512 20 5 FDBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000559237529 544611230 /nfs/dbraw/zinc/61/12/30/544611230.db2.gz LXXYQEJMGBWQCL-UHFFFAOYSA-N 1 2 355.358 1.841 20 5 FDBDLO CCNC(=O)C[N@@H+]1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301429690 259028024 /nfs/dbraw/zinc/02/80/24/259028024.db2.gz FPUBVXNAAIAKHO-UHFFFAOYSA-N 1 2 354.382 1.391 20 5 FDBDLO CCNC(=O)C[N@H+]1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301429690 259028025 /nfs/dbraw/zinc/02/80/25/259028025.db2.gz FPUBVXNAAIAKHO-UHFFFAOYSA-N 1 2 354.382 1.391 20 5 FDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330535277 259149610 /nfs/dbraw/zinc/14/96/10/259149610.db2.gz DPSMTHQXLLLCLG-NWDGAFQWSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330535277 259149611 /nfs/dbraw/zinc/14/96/11/259149611.db2.gz DPSMTHQXLLLCLG-NWDGAFQWSA-N 1 2 357.432 1.707 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367242309 260014527 /nfs/dbraw/zinc/01/45/27/260014527.db2.gz YSICSFNMSJNOIX-CYBMUJFWSA-N 1 2 356.382 1.690 20 5 FDBDLO Cc1c(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000368012214 260123473 /nfs/dbraw/zinc/12/34/73/260123473.db2.gz PSZGOROIOOSXQY-UHFFFAOYSA-N 1 2 356.448 1.217 20 5 FDBDLO Cc1c(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000368012214 260123474 /nfs/dbraw/zinc/12/34/74/260123474.db2.gz PSZGOROIOOSXQY-UHFFFAOYSA-N 1 2 356.448 1.217 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000372622761 260901469 /nfs/dbraw/zinc/90/14/69/260901469.db2.gz WRUHUBNOVOXYTB-OAHLLOKOSA-N 1 2 371.484 1.548 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000375200512 261286700 /nfs/dbraw/zinc/28/67/00/261286700.db2.gz HROSKDOGVFKBRN-ZDUSSCGKSA-N 1 2 350.400 1.534 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375326531 261314051 /nfs/dbraw/zinc/31/40/51/261314051.db2.gz DUVGXKNLOIWLNW-AAEUAGOBSA-N 1 2 360.374 1.469 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375326531 261314052 /nfs/dbraw/zinc/31/40/52/261314052.db2.gz DUVGXKNLOIWLNW-AAEUAGOBSA-N 1 2 360.374 1.469 20 5 FDBDLO COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000375390934 261329289 /nfs/dbraw/zinc/32/92/89/261329289.db2.gz KAUSVRXJMSDGTM-OAHLLOKOSA-N 1 2 373.413 1.753 20 5 FDBDLO COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000375390934 261329292 /nfs/dbraw/zinc/32/92/92/261329292.db2.gz KAUSVRXJMSDGTM-OAHLLOKOSA-N 1 2 373.413 1.753 20 5 FDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375489783 261351865 /nfs/dbraw/zinc/35/18/65/261351865.db2.gz ZDAIPIYXJRRRLN-MRRJBJDNSA-N 1 2 358.398 1.070 20 5 FDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375489783 261351867 /nfs/dbraw/zinc/35/18/67/261351867.db2.gz ZDAIPIYXJRRRLN-MRRJBJDNSA-N 1 2 358.398 1.070 20 5 FDBDLO CCN(CCOCCO)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000409659816 262131880 /nfs/dbraw/zinc/13/18/80/262131880.db2.gz CMJBXQSADJTJJD-UHFFFAOYSA-N 1 2 353.419 1.262 20 5 FDBDLO COc1ccc(NC(=O)CSCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000270591426 674234592 /nfs/dbraw/zinc/23/45/92/674234592.db2.gz VVLCBRRZBRPWLW-UHFFFAOYSA-N 1 2 355.416 1.607 20 5 FDBDLO CNc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000520197835 490115261 /nfs/dbraw/zinc/11/52/61/490115261.db2.gz QUMSJWUYJBLCNL-UHFFFAOYSA-N 1 2 374.401 1.418 20 5 FDBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000015142332 518711150 /nfs/dbraw/zinc/71/11/50/518711150.db2.gz PTKNLJJHBKLQDR-GASCZTMLSA-N 1 2 361.446 1.616 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000026467545 519124411 /nfs/dbraw/zinc/12/44/11/519124411.db2.gz PHFYIPNXPNUBOE-SNVBAGLBSA-N 1 2 350.375 1.128 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000026957281 519149921 /nfs/dbraw/zinc/14/99/21/519149921.db2.gz KKCNVGZMYPKDCY-CQSZACIVSA-N 1 2 371.459 1.538 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000026957281 519149928 /nfs/dbraw/zinc/14/99/28/519149928.db2.gz KKCNVGZMYPKDCY-CQSZACIVSA-N 1 2 371.459 1.538 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000028076769 519221258 /nfs/dbraw/zinc/22/12/58/519221258.db2.gz WVQXCPYWEPZMFF-UHFFFAOYSA-N 1 2 351.359 1.381 20 5 FDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000028729380 519247188 /nfs/dbraw/zinc/24/71/88/519247188.db2.gz BDHKPACQVZJREN-HNNXBMFYSA-N 1 2 362.430 1.132 20 5 FDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000028729380 519247193 /nfs/dbraw/zinc/24/71/93/519247193.db2.gz BDHKPACQVZJREN-HNNXBMFYSA-N 1 2 362.430 1.132 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000028750700 519249248 /nfs/dbraw/zinc/24/92/48/519249248.db2.gz PBKUTERARWOMKG-ZDUSSCGKSA-N 1 2 362.430 1.388 20 5 FDBDLO O=C(CC[NH+]1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000030146836 519348321 /nfs/dbraw/zinc/34/83/21/519348321.db2.gz MPBTUCCKKVBTBP-UHFFFAOYSA-N 1 2 372.381 1.974 20 5 FDBDLO Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000057061806 521993074 /nfs/dbraw/zinc/99/30/74/521993074.db2.gz LPSJDVMAEZJRMW-UHFFFAOYSA-N 1 2 370.413 1.245 20 5 FDBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000070666837 522008491 /nfs/dbraw/zinc/00/84/91/522008491.db2.gz KXCYOEUYZVFGOV-UHFFFAOYSA-N 1 2 373.369 1.052 20 5 FDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000045300767 522066150 /nfs/dbraw/zinc/06/61/50/522066150.db2.gz PGAIFLVPGWZUTB-UHFFFAOYSA-N 1 2 366.381 1.824 20 5 FDBDLO CC(C)NC(=O)CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046055884 522215180 /nfs/dbraw/zinc/21/51/80/522215180.db2.gz QHTLGURLQVCPME-UHFFFAOYSA-N 1 2 350.419 1.116 20 5 FDBDLO CC(C)NC(=O)C[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046055884 522215188 /nfs/dbraw/zinc/21/51/88/522215188.db2.gz QHTLGURLQVCPME-UHFFFAOYSA-N 1 2 350.419 1.116 20 5 FDBDLO CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599094 522323185 /nfs/dbraw/zinc/32/31/85/522323185.db2.gz WXTRSOLQEHMWPB-UHFFFAOYSA-N 1 2 364.446 1.254 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)c[nH+]2)C[C@H](C)O1 ZINC000047164711 522462384 /nfs/dbraw/zinc/46/23/84/522462384.db2.gz FTHLWWVYNLFBAG-STQMWFEESA-N 1 2 374.401 1.116 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000051013856 522964953 /nfs/dbraw/zinc/96/49/53/522964953.db2.gz JBYYFCWTVZOGBN-HNNXBMFYSA-N 1 2 358.333 1.570 20 5 FDBDLO CCO[C@H](C)c1nc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000075888308 522988796 /nfs/dbraw/zinc/98/87/96/522988796.db2.gz RCJQCYDPPBZNET-RISCZKNCSA-N 1 2 369.447 1.838 20 5 FDBDLO CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000075888308 522988801 /nfs/dbraw/zinc/98/88/01/522988801.db2.gz RCJQCYDPPBZNET-RISCZKNCSA-N 1 2 369.447 1.838 20 5 FDBDLO CCCNC(=O)C[N@H+](CCC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053366745 523413667 /nfs/dbraw/zinc/41/36/67/523413667.db2.gz UBPLARFCQSJRFS-UHFFFAOYSA-N 1 2 362.430 1.722 20 5 FDBDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053366745 523413673 /nfs/dbraw/zinc/41/36/73/523413673.db2.gz UBPLARFCQSJRFS-UHFFFAOYSA-N 1 2 362.430 1.722 20 5 FDBDLO COC(=O)Cn1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000067837067 523604673 /nfs/dbraw/zinc/60/46/73/523604673.db2.gz OXGVGUZVVFTONA-UHFFFAOYSA-N 1 2 370.325 1.402 20 5 FDBDLO O=C(NCc1nnc2n1CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000054903698 523716581 /nfs/dbraw/zinc/71/65/81/523716581.db2.gz KZCSAUDKMIVGHE-UHFFFAOYSA-N 1 2 353.342 1.248 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000068410834 523781387 /nfs/dbraw/zinc/78/13/87/523781387.db2.gz WJOZCKRRWFQMOB-VMPITWQZSA-N 1 2 369.425 1.957 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000081015524 523930864 /nfs/dbraw/zinc/93/08/64/523930864.db2.gz FEMVZLIGHBHBLU-GFCCVEGCSA-N 1 2 363.336 1.743 20 5 FDBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172021317 524095656 /nfs/dbraw/zinc/09/56/56/524095656.db2.gz JFNVSHZKSXSDTH-UHFFFAOYSA-N 1 2 371.821 1.555 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000082984327 524225822 /nfs/dbraw/zinc/22/58/22/524225822.db2.gz CBFCHBIERJZPPS-INIZCTEOSA-N 1 2 365.430 1.024 20 5 FDBDLO CCOC(=O)C(C)(C)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000121525249 524284043 /nfs/dbraw/zinc/28/40/43/524284043.db2.gz DXWGXNIGJWHQBP-UHFFFAOYSA-N 1 2 351.359 1.824 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000157484663 524284577 /nfs/dbraw/zinc/28/45/77/524284577.db2.gz OTDGENZTCKJVIU-CYBMUJFWSA-N 1 2 350.419 1.934 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000157484663 524284584 /nfs/dbraw/zinc/28/45/84/524284584.db2.gz OTDGENZTCKJVIU-CYBMUJFWSA-N 1 2 350.419 1.934 20 5 FDBDLO Cc1ccccc1CC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157888703 524360583 /nfs/dbraw/zinc/36/05/83/524360583.db2.gz OPVYOPHTZZSJRH-UHFFFAOYSA-N 1 2 357.414 1.487 20 5 FDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1 ZINC000086230745 524381120 /nfs/dbraw/zinc/38/11/20/524381120.db2.gz NTTSCYWUAMLCAH-UHFFFAOYSA-N 1 2 355.349 1.201 20 5 FDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000174386457 524563368 /nfs/dbraw/zinc/56/33/68/524563368.db2.gz ZNWAEUVGZLMRFM-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122599390 524571736 /nfs/dbraw/zinc/57/17/36/524571736.db2.gz JOLZZJJVLNPAOX-UHFFFAOYSA-N 1 2 374.792 1.647 20 5 FDBDLO CC(C)(CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000123131454 524687131 /nfs/dbraw/zinc/68/71/31/524687131.db2.gz WAXUUKKPDVOGEL-UHFFFAOYSA-N 1 2 360.414 1.846 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000114338651 524769594 /nfs/dbraw/zinc/76/95/94/524769594.db2.gz KPQQUNRIAFFUOR-AWEZNQCLSA-N 1 2 357.370 1.547 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160368386 524868603 /nfs/dbraw/zinc/86/86/03/524868603.db2.gz XFDNIRCRPDCWIQ-LBPRGKRZSA-N 1 2 357.432 1.150 20 5 FDBDLO NC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175247547 524917760 /nfs/dbraw/zinc/91/77/60/524917760.db2.gz WTZYUQYQQSXZHR-SNVBAGLBSA-N 1 2 354.794 1.774 20 5 FDBDLO NC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175247547 524917772 /nfs/dbraw/zinc/91/77/72/524917772.db2.gz WTZYUQYQQSXZHR-SNVBAGLBSA-N 1 2 354.794 1.774 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000175251053 524917944 /nfs/dbraw/zinc/91/79/44/524917944.db2.gz ZRLPTWKUFTVUPW-UHFFFAOYSA-N 1 2 355.310 1.172 20 5 FDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H](C)[NH+]1CCOCC1 ZINC000152651719 524960914 /nfs/dbraw/zinc/96/09/14/524960914.db2.gz IUVNREDKHBDMPB-CHWSQXEVSA-N 1 2 358.398 1.982 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161388674 525099489 /nfs/dbraw/zinc/09/94/89/525099489.db2.gz PFJCPNOWQUMOEI-GFCCVEGCSA-N 1 2 360.345 1.903 20 5 FDBDLO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000096997005 525166283 /nfs/dbraw/zinc/16/62/83/525166283.db2.gz OZHDZFDMAUKHSI-UHFFFAOYSA-N 1 2 374.438 1.040 20 5 FDBDLO Cn1cccc1[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000162468597 525263795 /nfs/dbraw/zinc/26/37/95/525263795.db2.gz CDHWJSPFCPYFOY-YJBOKZPZSA-N 1 2 361.398 1.747 20 5 FDBDLO Cn1cccc1[C@@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000162468597 525263801 /nfs/dbraw/zinc/26/38/01/525263801.db2.gz CDHWJSPFCPYFOY-YJBOKZPZSA-N 1 2 361.398 1.747 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1CCOC ZINC000117371690 525329526 /nfs/dbraw/zinc/32/95/26/525329526.db2.gz KRMPSBJDQLQIAZ-AWEZNQCLSA-N 1 2 371.459 1.635 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@H+]1CCOC ZINC000117371690 525329536 /nfs/dbraw/zinc/32/95/36/525329536.db2.gz KRMPSBJDQLQIAZ-AWEZNQCLSA-N 1 2 371.459 1.635 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000154008129 525391118 /nfs/dbraw/zinc/39/11/18/525391118.db2.gz YUDUFZLFTOTETE-CYBMUJFWSA-N 1 2 357.432 1.077 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000154008129 525391129 /nfs/dbraw/zinc/39/11/29/525391129.db2.gz YUDUFZLFTOTETE-CYBMUJFWSA-N 1 2 357.432 1.077 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000154407384 525523864 /nfs/dbraw/zinc/52/38/64/525523864.db2.gz BXZALWKYEVCRBV-KBPBESRZSA-N 1 2 354.794 1.202 20 5 FDBDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000154407384 525523871 /nfs/dbraw/zinc/52/38/71/525523871.db2.gz BXZALWKYEVCRBV-KBPBESRZSA-N 1 2 354.794 1.202 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1C ZINC000119789811 525865351 /nfs/dbraw/zinc/86/53/51/525865351.db2.gz WDEIRBGTALJMBZ-UHFFFAOYSA-N 1 2 353.444 1.928 20 5 FDBDLO Cn1ccnc1[C@H](O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000120523797 526095148 /nfs/dbraw/zinc/09/51/48/526095148.db2.gz QCIKZOCCOBKXPZ-QGZVFWFLSA-N 1 2 373.413 1.712 20 5 FDBDLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000182223307 526102194 /nfs/dbraw/zinc/10/21/94/526102194.db2.gz RFAMIJOVKWPWLS-UHFFFAOYSA-N 1 2 362.352 1.715 20 5 FDBDLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000182223307 526102203 /nfs/dbraw/zinc/10/22/03/526102203.db2.gz RFAMIJOVKWPWLS-UHFFFAOYSA-N 1 2 362.352 1.715 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000120595833 526121720 /nfs/dbraw/zinc/12/17/20/526121720.db2.gz ABYRVACBMMKHRZ-JKSUJKDBSA-N 1 2 369.443 1.205 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1C ZINC000120798333 526186815 /nfs/dbraw/zinc/18/68/15/526186815.db2.gz ICMHXSBXOHSSTG-LBPRGKRZSA-N 1 2 371.459 1.458 20 5 FDBDLO O=C(NCCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000109983390 526211262 /nfs/dbraw/zinc/21/12/62/526211262.db2.gz OCORZDRXMZVUGA-GFCCVEGCSA-N 1 2 361.358 1.195 20 5 FDBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000183180036 535937793 /nfs/dbraw/zinc/93/77/93/535937793.db2.gz YRECGZGWMUEBAB-GFCCVEGCSA-N 1 2 370.862 1.456 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184110864 536098808 /nfs/dbraw/zinc/09/88/08/536098808.db2.gz JIKNTKUHOXHCAS-UHFFFAOYSA-N 1 2 363.414 1.971 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184110864 536098811 /nfs/dbraw/zinc/09/88/11/536098811.db2.gz JIKNTKUHOXHCAS-UHFFFAOYSA-N 1 2 363.414 1.971 20 5 FDBDLO Cc1nc(N2CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000185443603 536208952 /nfs/dbraw/zinc/20/89/52/536208952.db2.gz XRHWGUHWRUDDSX-UHFFFAOYSA-N 1 2 370.413 1.478 20 5 FDBDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185970833 536222873 /nfs/dbraw/zinc/22/28/73/536222873.db2.gz FJCSYQVUUTVVDW-CYBMUJFWSA-N 1 2 364.427 1.972 20 5 FDBDLO CCN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000186520617 536236334 /nfs/dbraw/zinc/23/63/34/536236334.db2.gz OIRFXEDGIUQYOK-CQSZACIVSA-N 1 2 351.403 1.277 20 5 FDBDLO CCN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000186520617 536236335 /nfs/dbraw/zinc/23/63/35/536236335.db2.gz OIRFXEDGIUQYOK-CQSZACIVSA-N 1 2 351.403 1.277 20 5 FDBDLO Cc1cc(N2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n[nH]1 ZINC000187233047 536258322 /nfs/dbraw/zinc/25/83/22/536258322.db2.gz DNOIXFIINCSZJB-INIZCTEOSA-N 1 2 370.413 1.554 20 5 FDBDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246214380 536901181 /nfs/dbraw/zinc/90/11/81/536901181.db2.gz YKXBNSFUEMRXIC-VXGBXAGGSA-N 1 2 357.374 1.293 20 5 FDBDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246214380 536901185 /nfs/dbraw/zinc/90/11/85/536901185.db2.gz YKXBNSFUEMRXIC-VXGBXAGGSA-N 1 2 357.374 1.293 20 5 FDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188608139 536911712 /nfs/dbraw/zinc/91/17/12/536911712.db2.gz HZMJGJRSENXUOA-UONOGXRCSA-N 1 2 361.354 1.401 20 5 FDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000188608139 536911714 /nfs/dbraw/zinc/91/17/14/536911714.db2.gz HZMJGJRSENXUOA-UONOGXRCSA-N 1 2 361.354 1.401 20 5 FDBDLO CC(C)CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000188664872 536923171 /nfs/dbraw/zinc/92/31/71/536923171.db2.gz GRDJJSXXEUTGMV-UHFFFAOYSA-N 1 2 371.397 1.721 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000267271959 536967511 /nfs/dbraw/zinc/96/75/11/536967511.db2.gz MQWVAOZIBORGIK-UHFFFAOYSA-N 1 2 364.383 1.644 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000266278826 537196347 /nfs/dbraw/zinc/19/63/47/537196347.db2.gz IRZPURCLWXHKBB-OAHLLOKOSA-N 1 2 369.443 1.389 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000191544121 537207879 /nfs/dbraw/zinc/20/78/79/537207879.db2.gz LSYZUBCCKJLLJN-UHFFFAOYSA-N 1 2 354.370 1.986 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000191982797 537216697 /nfs/dbraw/zinc/21/66/97/537216697.db2.gz AHWYTLQSKRAETF-UHFFFAOYSA-N 1 2 371.459 1.289 20 5 FDBDLO Cn1cccc1[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249082487 537227960 /nfs/dbraw/zinc/22/79/60/537227960.db2.gz ASSDIWJXXHZEGV-RHSMWYFYSA-N 1 2 361.398 1.747 20 5 FDBDLO Cn1cccc1[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249082487 537227961 /nfs/dbraw/zinc/22/79/61/537227961.db2.gz ASSDIWJXXHZEGV-RHSMWYFYSA-N 1 2 361.398 1.747 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000253158478 537251474 /nfs/dbraw/zinc/25/14/74/537251474.db2.gz FXZXRADFZMTDSW-HIFRSBDPSA-N 1 2 351.403 1.181 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000253158478 537251476 /nfs/dbraw/zinc/25/14/76/537251476.db2.gz FXZXRADFZMTDSW-HIFRSBDPSA-N 1 2 351.403 1.181 20 5 FDBDLO CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c2ccc[nH+]c21 ZINC000272406192 537283317 /nfs/dbraw/zinc/28/33/17/537283317.db2.gz BNJSGRWGHDMRJE-UHFFFAOYSA-N 1 2 362.411 1.819 20 5 FDBDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272510215 537288862 /nfs/dbraw/zinc/28/88/62/537288862.db2.gz YHPMULLFZMQFBL-CQSZACIVSA-N 1 2 369.853 1.336 20 5 FDBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000272510215 537288867 /nfs/dbraw/zinc/28/88/67/537288867.db2.gz YHPMULLFZMQFBL-CQSZACIVSA-N 1 2 369.853 1.336 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000293201454 537387536 /nfs/dbraw/zinc/38/75/36/537387536.db2.gz QUIFZOXLYWWVMT-NSHDSACASA-N 1 2 361.320 1.666 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000364776770 537395095 /nfs/dbraw/zinc/39/50/95/537395095.db2.gz 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COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)c1 ZINC000589517645 551734630 /nfs/dbraw/zinc/73/46/30/551734630.db2.gz YFSMZPLONMFBDK-AWEZNQCLSA-N 1 2 370.427 1.781 20 5 FDBDLO COC(=O)c1ccnc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000590568837 551793512 /nfs/dbraw/zinc/79/35/12/551793512.db2.gz DFHKUVHQUHPYHD-ZDUSSCGKSA-N 1 2 352.391 1.545 20 5 FDBDLO Cc1cccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCOCC2)c1 ZINC000590573283 551793867 /nfs/dbraw/zinc/79/38/67/551793867.db2.gz WJQDUTUXTWJOBS-MRXNPFEDSA-N 1 2 357.414 2.366 20 5 FDBDLO CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@@H+]1CCO ZINC000590747418 551810783 /nfs/dbraw/zinc/81/07/83/551810783.db2.gz OPXKDXFSLMAISG-UHFFFAOYSA-N 1 2 373.413 1.514 20 5 FDBDLO CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC[N@H+]1CCO ZINC000590747418 551810784 /nfs/dbraw/zinc/81/07/84/551810784.db2.gz OPXKDXFSLMAISG-UHFFFAOYSA-N 1 2 373.413 1.514 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000592042303 551930929 /nfs/dbraw/zinc/93/09/29/551930929.db2.gz FHTIJMOYJXCEAO-UHFFFAOYSA-N 1 2 350.400 1.867 20 5 FDBDLO Cc1cccc2[nH+]c(CCNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cn21 ZINC000592745520 552023176 /nfs/dbraw/zinc/02/31/76/552023176.db2.gz HPABHCCTTDKDLA-UHFFFAOYSA-N 1 2 356.386 1.841 20 5 FDBDLO CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@]1(O)CCOC1 ZINC000592872712 552037355 /nfs/dbraw/zinc/03/73/55/552037355.db2.gz DNMOBQDQEARLAB-SFHVURJKSA-N 1 2 374.397 1.688 20 5 FDBDLO COC(=O)[C@@H](CCF)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593793817 552197356 /nfs/dbraw/zinc/19/73/56/552197356.db2.gz PRPTYOWZLVQTJE-LLVKDONJSA-N 1 2 350.306 1.412 20 5 FDBDLO CCN1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000593827041 552203928 /nfs/dbraw/zinc/20/39/28/552203928.db2.gz UOXMUSQWFCHOCT-LBPRGKRZSA-N 1 2 357.370 1.379 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CC[NH+](C(C)(C)CC)CC2)c([N+](=O)[O-])n1 ZINC000594475792 552319825 /nfs/dbraw/zinc/31/98/25/552319825.db2.gz UHFWIVBRRNFISE-UHFFFAOYSA-N 1 2 359.452 1.306 20 5 FDBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594746510 552369133 /nfs/dbraw/zinc/36/91/33/552369133.db2.gz SOGKVCGJEKZARH-UHFFFAOYSA-N 1 2 364.427 1.858 20 5 FDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000594768579 552377523 /nfs/dbraw/zinc/37/75/23/552377523.db2.gz WPQWNMBEZQABDZ-NEPJUHHUSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000594768579 552377524 /nfs/dbraw/zinc/37/75/24/552377524.db2.gz WPQWNMBEZQABDZ-NEPJUHHUSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594816122 552396019 /nfs/dbraw/zinc/39/60/19/552396019.db2.gz FERZCBORPZSZGO-KGLIPLIRSA-N 1 2 371.459 1.166 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594816122 552396021 /nfs/dbraw/zinc/39/60/21/552396021.db2.gz FERZCBORPZSZGO-KGLIPLIRSA-N 1 2 371.459 1.166 20 5 FDBDLO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000594956621 552427152 /nfs/dbraw/zinc/42/71/52/552427152.db2.gz KEGJEXZJDMFCDS-ZYHUDNBSSA-N 1 2 361.358 1.534 20 5 FDBDLO CCOc1ccnc(N2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])CC2)n1 ZINC000595350433 552534014 /nfs/dbraw/zinc/53/40/14/552534014.db2.gz ACENTDOLIBIPPD-UHFFFAOYSA-N 1 2 362.390 1.792 20 5 FDBDLO CCOc1ccnc(N2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])CC2)n1 ZINC000595350433 552534016 /nfs/dbraw/zinc/53/40/16/552534016.db2.gz ACENTDOLIBIPPD-UHFFFAOYSA-N 1 2 362.390 1.792 20 5 FDBDLO CCOc1cc(N2CC[NH+]([C@H]3CCN(CC)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000595467010 552567012 /nfs/dbraw/zinc/56/70/12/552567012.db2.gz WKBAOXVSAFAFQY-INIZCTEOSA-N 1 2 362.430 1.736 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595828285 552620571 /nfs/dbraw/zinc/62/05/71/552620571.db2.gz JSLICTCVORWDSA-CQSZACIVSA-N 1 2 360.414 1.786 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595828285 552620572 /nfs/dbraw/zinc/62/05/72/552620572.db2.gz JSLICTCVORWDSA-CQSZACIVSA-N 1 2 360.414 1.786 20 5 FDBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596071590 552652414 /nfs/dbraw/zinc/65/24/14/552652414.db2.gz SIGWISVMMBVISO-ZDUSSCGKSA-N 1 2 362.434 1.095 20 5 FDBDLO NS(=O)(=O)c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000596171318 552661868 /nfs/dbraw/zinc/66/18/68/552661868.db2.gz DLCURWIKULAQRN-LBPRGKRZSA-N 1 2 363.399 1.328 20 5 FDBDLO CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC000596307355 552673036 /nfs/dbraw/zinc/67/30/36/552673036.db2.gz VDCDCRIPXRIHMU-UHFFFAOYSA-N 1 2 367.431 1.985 20 5 FDBDLO CCN(CC)S(=O)(=O)c1ccc(N(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000596307355 552673038 /nfs/dbraw/zinc/67/30/38/552673038.db2.gz VDCDCRIPXRIHMU-UHFFFAOYSA-N 1 2 367.431 1.985 20 5 FDBDLO CO[C@@]1(CO)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000596430399 552678358 /nfs/dbraw/zinc/67/83/58/552678358.db2.gz QVVPKSSMOGVISX-SFHVURJKSA-N 1 2 365.430 1.405 20 5 FDBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCN1S(C)(=O)=O ZINC000596478907 552682587 /nfs/dbraw/zinc/68/25/87/552682587.db2.gz PGDLKUCIOGTUBE-LLVKDONJSA-N 1 2 350.400 1.613 20 5 FDBDLO O=[N+]([O-])c1ncccc1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596514761 552685245 /nfs/dbraw/zinc/68/52/45/552685245.db2.gz JQYZEVSDXHMELH-SFHVURJKSA-N 1 2 358.398 1.665 20 5 FDBDLO O=[N+]([O-])c1ncccc1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596514761 552685247 /nfs/dbraw/zinc/68/52/47/552685247.db2.gz JQYZEVSDXHMELH-SFHVURJKSA-N 1 2 358.398 1.665 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596833102 552715921 /nfs/dbraw/zinc/71/59/21/552715921.db2.gz WONDIUSYZUELAE-RYUDHWBXSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596833102 552715923 /nfs/dbraw/zinc/71/59/23/552715923.db2.gz WONDIUSYZUELAE-RYUDHWBXSA-N 1 2 352.391 1.834 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596890564 552722097 /nfs/dbraw/zinc/72/20/97/552722097.db2.gz MQMCDQRHPHMQAV-CQSZACIVSA-N 1 2 364.402 1.932 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000597012430 552734743 /nfs/dbraw/zinc/73/47/43/552734743.db2.gz UCGNFIFFTIYOER-UHFFFAOYSA-N 1 2 355.398 1.696 20 5 FDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000597208781 552760604 /nfs/dbraw/zinc/76/06/04/552760604.db2.gz NZVQSQUDDHTPBI-KADHNRKRSA-N 1 2 353.444 1.964 20 5 FDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000597208781 552760606 /nfs/dbraw/zinc/76/06/06/552760606.db2.gz NZVQSQUDDHTPBI-KADHNRKRSA-N 1 2 353.444 1.964 20 5 FDBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000597859041 552841640 /nfs/dbraw/zinc/84/16/40/552841640.db2.gz QJZQGCXZMZKYMZ-LBPRGKRZSA-N 1 2 369.443 1.601 20 5 FDBDLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000597859041 552841641 /nfs/dbraw/zinc/84/16/41/552841641.db2.gz QJZQGCXZMZKYMZ-LBPRGKRZSA-N 1 2 369.443 1.601 20 5 FDBDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000597865110 552842179 /nfs/dbraw/zinc/84/21/79/552842179.db2.gz SGRLTLGWRGEUAN-NSHDSACASA-N 1 2 363.399 1.643 20 5 FDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000597865110 552842181 /nfs/dbraw/zinc/84/21/81/552842181.db2.gz SGRLTLGWRGEUAN-NSHDSACASA-N 1 2 363.399 1.643 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H](Cn2ccnn2)C1 ZINC000597895639 552844792 /nfs/dbraw/zinc/84/47/92/552844792.db2.gz CMOZOFVEFXHWKN-ZDUSSCGKSA-N 1 2 367.369 1.534 20 5 FDBDLO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000597992314 552853954 /nfs/dbraw/zinc/85/39/54/552853954.db2.gz UIACVKFYBLWVEY-INIZCTEOSA-N 1 2 371.393 1.797 20 5 FDBDLO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000597992314 552853955 /nfs/dbraw/zinc/85/39/55/552853955.db2.gz UIACVKFYBLWVEY-INIZCTEOSA-N 1 2 371.393 1.797 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)CO1 ZINC000597996616 552854581 /nfs/dbraw/zinc/85/45/81/552854581.db2.gz KCDYYJMFCVSODS-ZIAGYGMSSA-N 1 2 373.413 1.620 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)CO1 ZINC000597996616 552854582 /nfs/dbraw/zinc/85/45/82/552854582.db2.gz KCDYYJMFCVSODS-ZIAGYGMSSA-N 1 2 373.413 1.620 20 5 FDBDLO COc1cc(OCC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000598000442 552855760 /nfs/dbraw/zinc/85/57/60/552855760.db2.gz UYTCQJMVYBCHJX-OLZOCXBDSA-N 1 2 367.402 1.208 20 5 FDBDLO COc1cc(OCC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000598000442 552855762 /nfs/dbraw/zinc/85/57/62/552855762.db2.gz UYTCQJMVYBCHJX-OLZOCXBDSA-N 1 2 367.402 1.208 20 5 FDBDLO C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598460628 552898358 /nfs/dbraw/zinc/89/83/58/552898358.db2.gz UCNKEUAJMHNWGL-SECBINFHSA-N 1 2 363.399 1.397 20 5 FDBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1[nH+]ccn1C ZINC000598464083 552899133 /nfs/dbraw/zinc/89/91/33/552899133.db2.gz FYUYJCCKPVJTBY-JTQLQIEISA-N 1 2 350.400 1.904 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647680 552919681 /nfs/dbraw/zinc/91/96/81/552919681.db2.gz CNUWDLPZIXLMGB-CHWSQXEVSA-N 1 2 351.403 1.882 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000598647680 552919682 /nfs/dbraw/zinc/91/96/82/552919682.db2.gz CNUWDLPZIXLMGB-CHWSQXEVSA-N 1 2 351.403 1.882 20 5 FDBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000599107302 552968586 /nfs/dbraw/zinc/96/85/86/552968586.db2.gz LYMVIKQZOVTICD-LLVKDONJSA-N 1 2 350.400 1.613 20 5 FDBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3C[N@H+](Cc4ccncc4)CCO3)nc2c1 ZINC000599184973 552980386 /nfs/dbraw/zinc/98/03/86/552980386.db2.gz OCTLGDFPXFNSBP-OAHLLOKOSA-N 1 2 368.397 1.601 20 5 FDBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H]3C[N@@H+](Cc4ccncc4)CCO3)nc2c1 ZINC000599184973 552980388 /nfs/dbraw/zinc/98/03/88/552980388.db2.gz OCTLGDFPXFNSBP-OAHLLOKOSA-N 1 2 368.397 1.601 20 5 FDBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599361768 553036730 /nfs/dbraw/zinc/03/67/30/553036730.db2.gz KFALUYGNAZLTKN-JTQLQIEISA-N 1 2 372.219 1.496 20 5 FDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599391703 553043697 /nfs/dbraw/zinc/04/36/97/553043697.db2.gz QKMGJYPNLGFWTQ-ZDUSSCGKSA-N 1 2 354.432 1.675 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599570585 553091473 /nfs/dbraw/zinc/09/14/73/553091473.db2.gz SBAFOCSEGBQHJI-ZBEGNZNMSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599570585 553091475 /nfs/dbraw/zinc/09/14/75/553091475.db2.gz SBAFOCSEGBQHJI-ZBEGNZNMSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599579414 553094109 /nfs/dbraw/zinc/09/41/09/553094109.db2.gz LBOCGEGWQNTXLO-IUODEOHRSA-N 1 2 366.370 1.400 20 5 FDBDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599579414 553094110 /nfs/dbraw/zinc/09/41/10/553094110.db2.gz LBOCGEGWQNTXLO-IUODEOHRSA-N 1 2 366.370 1.400 20 5 FDBDLO CCOC[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599618198 553104906 /nfs/dbraw/zinc/10/49/06/553104906.db2.gz LEAUWTXWZGAOSR-CQSZACIVSA-N 1 2 365.386 1.630 20 5 FDBDLO CCOC[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000599618198 553104908 /nfs/dbraw/zinc/10/49/08/553104908.db2.gz LEAUWTXWZGAOSR-CQSZACIVSA-N 1 2 365.386 1.630 20 5 FDBDLO COC(=O)[C@](C)(NCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599652369 553113233 /nfs/dbraw/zinc/11/32/33/553113233.db2.gz MEBQTAKRAJAZNW-HBUWYVDXSA-N 1 2 365.430 1.682 20 5 FDBDLO Cc1cc(NCCNC(=O)Nc2ccncc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000599766530 553141914 /nfs/dbraw/zinc/14/19/14/553141914.db2.gz OHTROCNGQBMNFE-UHFFFAOYSA-N 1 2 359.390 1.867 20 5 FDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599779893 553145420 /nfs/dbraw/zinc/14/54/20/553145420.db2.gz PLHRFXZJTMYRFI-KRWDZBQOSA-N 1 2 364.402 1.332 20 5 FDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599779893 553145421 /nfs/dbraw/zinc/14/54/21/553145421.db2.gz PLHRFXZJTMYRFI-KRWDZBQOSA-N 1 2 364.402 1.332 20 5 FDBDLO Cc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ccc1[N+](=O)[O-] ZINC000600232567 553234103 /nfs/dbraw/zinc/23/41/03/553234103.db2.gz RZMGLDZKEPKKCG-GOSISDBHSA-N 1 2 363.414 1.249 20 5 FDBDLO Cc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600232567 553234105 /nfs/dbraw/zinc/23/41/05/553234105.db2.gz RZMGLDZKEPKKCG-GOSISDBHSA-N 1 2 363.414 1.249 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1SC ZINC000600417843 553264211 /nfs/dbraw/zinc/26/42/11/553264211.db2.gz BUSCPSATGVTSQG-JTQLQIEISA-N 1 2 355.416 1.386 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2COCC[N@H+]2C)cc1SC ZINC000600417843 553264213 /nfs/dbraw/zinc/26/42/13/553264213.db2.gz BUSCPSATGVTSQG-JTQLQIEISA-N 1 2 355.416 1.386 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600681930 553299432 /nfs/dbraw/zinc/29/94/32/553299432.db2.gz KHWNXSOLJYRDPJ-KRWDZBQOSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600681930 553299433 /nfs/dbraw/zinc/29/94/33/553299433.db2.gz KHWNXSOLJYRDPJ-KRWDZBQOSA-N 1 2 370.409 1.929 20 5 FDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600817834 553318298 /nfs/dbraw/zinc/31/82/98/553318298.db2.gz YJZWKIXTDFFEQV-VXGBXAGGSA-N 1 2 353.342 1.856 20 5 FDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601266309 553366252 /nfs/dbraw/zinc/36/62/52/553366252.db2.gz BNTKVZMGFDAZKS-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601378572 553389130 /nfs/dbraw/zinc/38/91/30/553389130.db2.gz NOIMTRCBQOCOBY-LLVKDONJSA-N 1 2 368.390 1.954 20 5 FDBDLO COCC1(C2CC2)C[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000601964889 553496726 /nfs/dbraw/zinc/49/67/26/553496726.db2.gz RIJFBPXIXOWJGE-UHFFFAOYSA-N 1 2 354.428 1.727 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)cn1 ZINC000602438438 553581457 /nfs/dbraw/zinc/58/14/57/553581457.db2.gz JFBXNJWWZMZACL-UHFFFAOYSA-N 1 2 357.370 1.478 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CCN(Cc3cc4c(c[nH+]3)OCCO4)CC2)cn1 ZINC000602438438 553581460 /nfs/dbraw/zinc/58/14/60/553581460.db2.gz JFBXNJWWZMZACL-UHFFFAOYSA-N 1 2 357.370 1.478 20 5 FDBDLO Cn1cc([C@H](CO)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602578826 553607969 /nfs/dbraw/zinc/60/79/69/553607969.db2.gz HKFFGBDUCHWZIF-JTQLQIEISA-N 1 2 361.221 1.976 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000603888334 553824625 /nfs/dbraw/zinc/82/46/25/553824625.db2.gz WIUQLFRZWJRBMK-NSHDSACASA-N 1 2 364.402 1.518 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000603888333 553824762 /nfs/dbraw/zinc/82/47/62/553824762.db2.gz WIUQLFRZWJRBMK-LLVKDONJSA-N 1 2 364.402 1.518 20 5 FDBDLO COc1cc(CCNC(=O)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000604453949 553878689 /nfs/dbraw/zinc/87/86/89/553878689.db2.gz AABTUIJPZFFBEH-UHFFFAOYSA-N 1 2 362.386 1.948 20 5 FDBDLO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000604482060 553880548 /nfs/dbraw/zinc/88/05/48/553880548.db2.gz NSEVRKJSUUOICH-UHFFFAOYSA-N 1 2 371.397 1.953 20 5 FDBDLO CNS(=O)(=O)c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609132723 554340487 /nfs/dbraw/zinc/34/04/87/554340487.db2.gz GKYOIVPWVPASPA-GFCCVEGCSA-N 1 2 365.415 1.541 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609134724 554341361 /nfs/dbraw/zinc/34/13/61/554341361.db2.gz MOQNDHUIOCASOT-LBPRGKRZSA-N 1 2 366.399 1.826 20 5 FDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000609178089 554346065 /nfs/dbraw/zinc/34/60/65/554346065.db2.gz GRPZDDYVXQKYAW-CYBMUJFWSA-N 1 2 359.386 1.231 20 5 FDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000609178089 554346067 /nfs/dbraw/zinc/34/60/67/554346067.db2.gz GRPZDDYVXQKYAW-CYBMUJFWSA-N 1 2 359.386 1.231 20 5 FDBDLO COCCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1OC ZINC000609491155 554383826 /nfs/dbraw/zinc/38/38/26/554383826.db2.gz HNQCXZUCZUDLBQ-UHFFFAOYSA-N 1 2 364.358 1.624 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609619360 554403218 /nfs/dbraw/zinc/40/32/18/554403218.db2.gz BNALXHFVGUKSOW-LLVKDONJSA-N 1 2 353.338 2.000 20 5 FDBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609849863 554429575 /nfs/dbraw/zinc/42/95/75/554429575.db2.gz ODPIQFBVPPTAIO-CYBMUJFWSA-N 1 2 372.429 1.575 20 5 FDBDLO CS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609971006 554445541 /nfs/dbraw/zinc/44/55/41/554445541.db2.gz ZKDJQEMGVOBXOW-UHFFFAOYSA-N 1 2 360.351 1.898 20 5 FDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610425844 554504044 /nfs/dbraw/zinc/50/40/44/554504044.db2.gz HBYIKNAMBGDXSB-AWEZNQCLSA-N 1 2 374.401 1.512 20 5 FDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610733357 554555916 /nfs/dbraw/zinc/55/59/16/554555916.db2.gz UBXONSDZQCYOMX-MRXNPFEDSA-N 1 2 358.398 1.483 20 5 FDBDLO CCn1cnnc1CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619154003 555731117 /nfs/dbraw/zinc/73/11/17/555731117.db2.gz GYOUGWPHHQVBTK-UHFFFAOYSA-N 1 2 360.418 1.693 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000619475291 555783063 /nfs/dbraw/zinc/78/30/63/555783063.db2.gz IITKUYUVVDEICV-UHFFFAOYSA-N 1 2 369.443 1.852 20 5 FDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000619874116 555847625 /nfs/dbraw/zinc/84/76/25/555847625.db2.gz YUNMDILTKNKKAE-KRWDZBQOSA-N 1 2 361.446 1.293 20 5 FDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000619874116 555847628 /nfs/dbraw/zinc/84/76/28/555847628.db2.gz YUNMDILTKNKKAE-KRWDZBQOSA-N 1 2 361.446 1.293 20 5 FDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000408244128 568139516 /nfs/dbraw/zinc/13/95/16/568139516.db2.gz NKHQTSKLUBHDPS-NWDGAFQWSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000408244128 568139518 /nfs/dbraw/zinc/13/95/18/568139518.db2.gz NKHQTSKLUBHDPS-NWDGAFQWSA-N 1 2 364.427 1.856 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826498800 607480738 /nfs/dbraw/zinc/48/07/38/607480738.db2.gz KDRUXMHQMAKDSJ-UHFFFAOYSA-N 1 2 366.385 1.492 20 5 FDBDLO C[C@H](CS(C)(=O)=O)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273330636 674528203 /nfs/dbraw/zinc/52/82/03/674528203.db2.gz LYOLPIGWLQFPOC-OCCSQVGLSA-N 1 2 372.443 1.232 20 5 FDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273330636 674528204 /nfs/dbraw/zinc/52/82/04/674528204.db2.gz LYOLPIGWLQFPOC-OCCSQVGLSA-N 1 2 372.443 1.232 20 5 FDBDLO C[N@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821595378 606591912 /nfs/dbraw/zinc/59/19/12/606591912.db2.gz VSOLQTYSNGEIML-UHFFFAOYSA-N 1 2 368.348 1.336 20 5 FDBDLO C[N@@H+](CC(F)F)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821595378 606591913 /nfs/dbraw/zinc/59/19/13/606591913.db2.gz VSOLQTYSNGEIML-UHFFFAOYSA-N 1 2 368.348 1.336 20 5 FDBDLO CO[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@H]1C ZINC000275829666 674647237 /nfs/dbraw/zinc/64/72/37/674647237.db2.gz LMBHOYSPNYCUGM-BMIGLBTASA-N 1 2 351.359 1.619 20 5 FDBDLO CO[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@H]1C ZINC000275829666 674647240 /nfs/dbraw/zinc/64/72/40/674647240.db2.gz LMBHOYSPNYCUGM-BMIGLBTASA-N 1 2 351.359 1.619 20 5 FDBDLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 ZINC000109299419 671621394 /nfs/dbraw/zinc/62/13/94/671621394.db2.gz ZANTYNQTGCXWLJ-UHFFFAOYSA-N 1 2 369.443 1.142 20 5 FDBDLO CCOC(=O)c1ccnc(NCC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000265547777 672939067 /nfs/dbraw/zinc/93/90/67/672939067.db2.gz GDTZOGIHXHMDLX-UHFFFAOYSA-N 1 2 352.391 1.689 20 5 FDBDLO CCOC(=O)c1ccnc(NCC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000265547777 672939070 /nfs/dbraw/zinc/93/90/70/672939070.db2.gz GDTZOGIHXHMDLX-UHFFFAOYSA-N 1 2 352.391 1.689 20 5 FDBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289081287 676091232 /nfs/dbraw/zinc/09/12/32/676091232.db2.gz AYNDNNRJWRZQMZ-PXTSUWAFSA-N 1 2 353.444 1.964 20 5 FDBDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289081287 676091235 /nfs/dbraw/zinc/09/12/35/676091235.db2.gz AYNDNNRJWRZQMZ-PXTSUWAFSA-N 1 2 353.444 1.964 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267552269 673313585 /nfs/dbraw/zinc/31/35/85/673313585.db2.gz SBFJTBWWPAPSPQ-GFCCVEGCSA-N 1 2 374.235 1.487 20 5 FDBDLO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278913681 675217872 /nfs/dbraw/zinc/21/78/72/675217872.db2.gz QTMCSDSPYCGUMW-HNNXBMFYSA-N 1 2 352.778 1.399 20 5 FDBDLO O=C(C[N@H+]1CC[C@]2(CNC(=O)C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000278913681 675217877 /nfs/dbraw/zinc/21/78/77/675217877.db2.gz QTMCSDSPYCGUMW-HNNXBMFYSA-N 1 2 352.778 1.399 20 5 FDBDLO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000279455272 675296769 /nfs/dbraw/zinc/29/67/69/675296769.db2.gz ZRGGSDMFBJWHOL-MRXNPFEDSA-N 1 2 351.359 1.763 20 5 FDBDLO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000279455272 675296771 /nfs/dbraw/zinc/29/67/71/675296771.db2.gz ZRGGSDMFBJWHOL-MRXNPFEDSA-N 1 2 351.359 1.763 20 5 FDBDLO Cc1cc(OCC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000281236949 675503269 /nfs/dbraw/zinc/50/32/69/675503269.db2.gz DFINQOYEPRTZAD-UONOGXRCSA-N 1 2 351.403 1.507 20 5 FDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)c1 ZINC000284010156 675667665 /nfs/dbraw/zinc/66/76/65/675667665.db2.gz HEINIRMEYHKQNY-AWEZNQCLSA-N 1 2 353.444 1.542 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292075828 676282161 /nfs/dbraw/zinc/28/21/61/676282161.db2.gz DBSGOSRGNWUGBO-CQSZACIVSA-N 1 2 357.432 1.459 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292075828 676282163 /nfs/dbraw/zinc/28/21/63/676282163.db2.gz DBSGOSRGNWUGBO-CQSZACIVSA-N 1 2 357.432 1.459 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000298291355 676448650 /nfs/dbraw/zinc/44/86/50/676448650.db2.gz HKXITHZPAJLUST-AWEZNQCLSA-N 1 2 353.400 1.910 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000364135284 676994552 /nfs/dbraw/zinc/99/45/52/676994552.db2.gz JWYZREPWESWBPB-CYBMUJFWSA-N 1 2 371.484 1.715 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000364491221 677022340 /nfs/dbraw/zinc/02/23/40/677022340.db2.gz BZHGXDZQBXKDFH-LLVKDONJSA-N 1 2 350.766 1.725 20 5 FDBDLO O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000364491221 677022342 /nfs/dbraw/zinc/02/23/42/677022342.db2.gz BZHGXDZQBXKDFH-LLVKDONJSA-N 1 2 350.766 1.725 20 5 FDBDLO CCOc1cc(C[N@@H+]2CCCN(CC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000365192147 677354752 /nfs/dbraw/zinc/35/47/52/677354752.db2.gz VMAZCPOPXZZUJI-UHFFFAOYSA-N 1 2 350.419 1.247 20 5 FDBDLO CCOc1cc(C[N@H+]2CCCN(CC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000365192147 677354754 /nfs/dbraw/zinc/35/47/54/677354754.db2.gz VMAZCPOPXZZUJI-UHFFFAOYSA-N 1 2 350.419 1.247 20 5 FDBDLO NC(=O)C1([NH+]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CCCCC1 ZINC000370975893 677634945 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CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000451927941 682970010 /nfs/dbraw/zinc/97/00/10/682970010.db2.gz CQVFLWGYNDYUEV-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000451927941 682970011 /nfs/dbraw/zinc/97/00/11/682970011.db2.gz CQVFLWGYNDYUEV-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451975589 682986737 /nfs/dbraw/zinc/98/67/37/682986737.db2.gz VULVYRXJHPNVFL-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO COc1cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000468962998 684939611 /nfs/dbraw/zinc/93/96/11/684939611.db2.gz NAZQYRHADIRBDE-UHFFFAOYSA-N 1 2 366.399 1.890 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472043485 685172270 /nfs/dbraw/zinc/17/22/70/685172270.db2.gz UXYKZNRSBXPGDB-LLVKDONJSA-N 1 2 353.350 1.443 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCSCC2)c1C ZINC000480991487 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HNDPIDQGOCNYGX-IUODEOHRSA-N 1 2 364.402 1.587 20 5 FDBDLO NC(=O)c1ncn(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1N ZINC000459453704 838685108 /nfs/dbraw/zinc/68/51/08/838685108.db2.gz SVPARUNFRLMLEI-UHFFFAOYSA-N 1 2 360.374 1.015 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000760553943 842276920 /nfs/dbraw/zinc/27/69/20/842276920.db2.gz XGODXLOYNJVLSD-AWEZNQCLSA-N 1 2 371.401 1.347 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000760553943 842276931 /nfs/dbraw/zinc/27/69/31/842276931.db2.gz XGODXLOYNJVLSD-AWEZNQCLSA-N 1 2 371.401 1.347 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000760561783 842400885 /nfs/dbraw/zinc/40/08/85/842400885.db2.gz RIDFFWAZSUCMKJ-GFCCVEGCSA-N 1 2 361.345 1.326 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(=O)Nc2cnccc21 ZINC000462087201 843308407 /nfs/dbraw/zinc/30/84/07/843308407.db2.gz ZYKJVUMHTZVQMN-UHFFFAOYSA-N 1 2 364.321 1.774 20 5 FDBDLO O=C(NCC[NH2+]Cc1c(F)c(F)c(F)c(F)c1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936247 848587102 /nfs/dbraw/zinc/58/71/02/848587102.db2.gz CPNRTNXPLUHQIC-IYSWYEEDSA-N 1 2 353.247 1.253 20 5 FDBDLO NC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000484622571 851008854 /nfs/dbraw/zinc/00/88/54/851008854.db2.gz KRXLNMPWZZTMFN-LBPRGKRZSA-N 1 2 372.385 1.301 20 5 FDBDLO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000913547652 862328556 /nfs/dbraw/zinc/32/85/56/862328556.db2.gz STNNGQWMBNFYTP-LLVKDONJSA-N 1 2 372.219 1.414 20 5 FDBDLO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000913547652 862328574 /nfs/dbraw/zinc/32/85/74/862328574.db2.gz STNNGQWMBNFYTP-LLVKDONJSA-N 1 2 372.219 1.414 20 5 FDBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1CO ZINC000913549223 862361667 /nfs/dbraw/zinc/36/16/67/862361667.db2.gz YCYLDRPASFXZMF-SNVBAGLBSA-N 1 2 358.192 1.106 20 5 FDBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1CO ZINC000913549223 862361684 /nfs/dbraw/zinc/36/16/84/862361684.db2.gz YCYLDRPASFXZMF-SNVBAGLBSA-N 1 2 358.192 1.106 20 5 FDBDLO CNC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000485830152 852931536 /nfs/dbraw/zinc/93/15/36/852931536.db2.gz MZCUMZJWAUFDIL-UHFFFAOYSA-N 1 2 366.337 1.787 20 5 FDBDLO CC/C=C\CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001105706976 856007919 /nfs/dbraw/zinc/00/79/19/856007919.db2.gz HQUXQNRPSXHQEX-NMBNSIPYSA-N 1 2 351.447 1.700 20 5 FDBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912739282 860110287 /nfs/dbraw/zinc/11/02/87/860110287.db2.gz VKVKJVQGCPNWRT-LLVKDONJSA-N 1 2 372.219 1.414 20 5 FDBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912739282 860110290 /nfs/dbraw/zinc/11/02/90/860110290.db2.gz VKVKJVQGCPNWRT-LLVKDONJSA-N 1 2 372.219 1.414 20 5 FDBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490296280 861067463 /nfs/dbraw/zinc/06/74/63/861067463.db2.gz ANNRVZOMLHDCRP-CQSZACIVSA-N 1 2 360.370 1.658 20 5 FDBDLO O=C(C(=O)N1CCn2c[nH+]cc2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459974643 867954084 /nfs/dbraw/zinc/95/40/84/867954084.db2.gz PCAXAZCOCOAJNJ-UHFFFAOYSA-N 1 2 369.381 1.325 20 5 FDBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[NH+]1CCC2(CC1)OCCO2 ZINC000132427492 873296854 /nfs/dbraw/zinc/29/68/54/873296854.db2.gz WADVZNYIXJEPID-UHFFFAOYSA-N 1 2 362.342 1.208 20 5 FDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487943187 875972225 /nfs/dbraw/zinc/97/22/25/875972225.db2.gz QJALRRWOEGJTAX-CYBMUJFWSA-N 1 2 369.425 1.932 20 5 FDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000921679239 912258510 /nfs/dbraw/zinc/25/85/10/912258510.db2.gz AEYYZMWNBNIXGJ-OAHLLOKOSA-N 1 2 350.419 1.547 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]CCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272579534 877965588 /nfs/dbraw/zinc/96/55/88/877965588.db2.gz XUBMSAKYZOBFRV-KRWDZBQOSA-N 1 2 359.430 1.730 20 5 FDBDLO Cc1ccnc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)n1 ZINC001035186593 885706741 /nfs/dbraw/zinc/70/67/41/885706741.db2.gz GNSFSSWJTVIXEN-HUUCEWRRSA-N 1 2 359.430 1.265 20 5 FDBDLO Cc1ccnc(C[N@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)n1 ZINC001035186593 885706753 /nfs/dbraw/zinc/70/67/53/885706753.db2.gz GNSFSSWJTVIXEN-HUUCEWRRSA-N 1 2 359.430 1.265 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3ccc(Cl)nc3)C2)CC1 ZINC001035704753 886332289 /nfs/dbraw/zinc/33/22/89/886332289.db2.gz WPQGLFWXAFVMHJ-ZIAGYGMSSA-N 1 2 364.833 1.825 20 5 FDBDLO O=C(NCC1C[NH+](Cc2cnc(-c3ccccc3)o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662370 886993361 /nfs/dbraw/zinc/99/33/61/886993361.db2.gz CQLXBLLSTYYAFU-HZPDHXFCSA-N 1 2 356.382 1.555 20 5 FDBDLO O=C(NC1CC[NH+](Cc2cc(O)ccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786562 893946937 /nfs/dbraw/zinc/94/69/37/893946937.db2.gz BSQBQYBWAJCCGH-UKRRQHHQSA-N 1 2 353.806 1.791 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282302659 896391467 /nfs/dbraw/zinc/39/14/67/896391467.db2.gz MGAWNYXVKUDWLN-GFCCVEGCSA-N 1 2 358.402 1.881 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763725151 898446247 /nfs/dbraw/zinc/44/62/47/898446247.db2.gz ASEXWZFYACDHPQ-OAHLLOKOSA-N 1 2 359.382 1.448 20 5 FDBDLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763882074 900467764 /nfs/dbraw/zinc/46/77/64/900467764.db2.gz YDPVKUDBTASCSG-LBPRGKRZSA-N 1 2 359.810 1.904 20 5 FDBDLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763882074 900467772 /nfs/dbraw/zinc/46/77/72/900467772.db2.gz YDPVKUDBTASCSG-LBPRGKRZSA-N 1 2 359.810 1.904 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001169135828 928299696 /nfs/dbraw/zinc/29/96/96/928299696.db2.gz AXNJBDGTQFJYIL-HQJQHLMTSA-N 1 2 357.750 1.350 20 5 FDBDLO CN(C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000772036538 931017861 /nfs/dbraw/zinc/01/78/61/931017861.db2.gz KUNXIQIRLMPCPR-CQSZACIVSA-N 1 2 367.427 1.538 20 5 FDBDLO CN(C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000772036538 931017869 /nfs/dbraw/zinc/01/78/69/931017869.db2.gz KUNXIQIRLMPCPR-CQSZACIVSA-N 1 2 367.427 1.538 20 5 FDBDLO CN(C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000772036536 931018006 /nfs/dbraw/zinc/01/80/06/931018006.db2.gz KUNXIQIRLMPCPR-AWEZNQCLSA-N 1 2 367.427 1.538 20 5 FDBDLO CN(C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000772036536 931018011 /nfs/dbraw/zinc/01/80/11/931018011.db2.gz KUNXIQIRLMPCPR-AWEZNQCLSA-N 1 2 367.427 1.538 20 5 FDBDLO CC(C)(C)n1nnnc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675493 931540014 /nfs/dbraw/zinc/54/00/14/931540014.db2.gz HUJOFQKINJJTDL-UHFFFAOYSA-N 1 2 371.357 1.879 20 5 FDBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC1CCOCC1 ZINC000785676723 931540689 /nfs/dbraw/zinc/54/06/89/931540689.db2.gz XQLQCTHWDVNJHX-UHFFFAOYSA-N 1 2 374.353 1.233 20 5 FDBDLO Cn1c[nH+]cc1CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000789776102 933185208 /nfs/dbraw/zinc/18/52/08/933185208.db2.gz GYQVIZOUTYSXBH-UHFFFAOYSA-N 1 2 353.356 1.131 20 5 FDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000807282760 940298796 /nfs/dbraw/zinc/29/87/96/940298796.db2.gz RMHOKWUMYFXPMX-YGRLFVJLSA-N 1 2 364.333 1.392 20 5 FDBDLO Cn1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000815134524 941789690 /nfs/dbraw/zinc/78/96/90/941789690.db2.gz ZICKVXZOJWNWKM-UHFFFAOYSA-N 1 2 358.807 1.545 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817181149 942614850 /nfs/dbraw/zinc/61/48/50/942614850.db2.gz INGDRNILILUAKX-UHFFFAOYSA-N 1 2 360.370 1.367 20 5 FDBDLO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000817283122 942657435 /nfs/dbraw/zinc/65/74/35/942657435.db2.gz QERPUOMHUSMHDL-VHSXEESVSA-N 1 2 354.794 1.643 20 5 FDBDLO CNC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000817283122 942657442 /nfs/dbraw/zinc/65/74/42/942657442.db2.gz QERPUOMHUSMHDL-VHSXEESVSA-N 1 2 354.794 1.643 20 5 FDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000843883292 947372712 /nfs/dbraw/zinc/37/27/12/947372712.db2.gz DPNUHBTZHWYQRK-WCQYABFASA-N 1 2 351.378 1.978 20 5 FDBDLO Nc1ncc2c(n1)CN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CC2 ZINC001147560103 952433605 /nfs/dbraw/zinc/43/36/05/952433605.db2.gz WBTAXQCTXPVHQK-UHFFFAOYSA-N 1 2 365.353 1.351 20 5 FDBDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001196942907 971999814 /nfs/dbraw/zinc/99/98/14/971999814.db2.gz IKHVYACWGYUPBI-AWEZNQCLSA-N 1 2 364.402 1.665 20 5 FDBDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001196942907 971999820 /nfs/dbraw/zinc/99/98/20/971999820.db2.gz IKHVYACWGYUPBI-AWEZNQCLSA-N 1 2 364.402 1.665 20 5 FDBDLO C[C@H]1CCOCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000774659438 963193637 /nfs/dbraw/zinc/19/36/37/963193637.db2.gz GYULYOFIMGZJEE-YVEFUNNKSA-N 1 2 362.386 1.430 20 5 FDBDLO C[C@H]1CCOCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000774659438 963193646 /nfs/dbraw/zinc/19/36/46/963193646.db2.gz GYULYOFIMGZJEE-YVEFUNNKSA-N 1 2 362.386 1.430 20 5 FDBDLO CC(C)(O)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001175974001 963335726 /nfs/dbraw/zinc/33/57/26/963335726.db2.gz ROATYSRXFPFASQ-CYBMUJFWSA-N 1 2 356.444 1.851 20 5 FDBDLO CC(C)(O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001175974001 963335731 /nfs/dbraw/zinc/33/57/31/963335731.db2.gz ROATYSRXFPFASQ-CYBMUJFWSA-N 1 2 356.444 1.851 20 5 FDBDLO COCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774840391 963853913 /nfs/dbraw/zinc/85/39/13/963853913.db2.gz KZTTWNFGAGJANB-UHFFFAOYSA-N 1 2 352.347 1.230 20 5 FDBDLO COc1cc(OCC(=O)NCc2coc(C[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC001179127895 964732288 /nfs/dbraw/zinc/73/22/88/964732288.db2.gz CTJOTYPNNZWCLI-UHFFFAOYSA-N 1 2 364.358 1.348 20 5 FDBDLO CCc1nc(CN2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000776590865 967244831 /nfs/dbraw/zinc/24/48/31/967244831.db2.gz JNBTYESVQKQACL-HNNXBMFYSA-N 1 2 361.402 1.391 20 5 FDBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853508427 968063043 /nfs/dbraw/zinc/06/30/43/968063043.db2.gz MXRWRDUPZZBUIQ-ZDUSSCGKSA-N 1 2 356.386 1.508 20 5 FDBDLO O=C1CCCN1[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853508427 968063053 /nfs/dbraw/zinc/06/30/53/968063053.db2.gz MXRWRDUPZZBUIQ-ZDUSSCGKSA-N 1 2 356.386 1.508 20 5 FDBDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000853583615 968142131 /nfs/dbraw/zinc/14/21/31/968142131.db2.gz IEHFDRVLLLPWDN-HNNXBMFYSA-N 1 2 373.417 1.499 20 5 FDBDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000853583615 968142137 /nfs/dbraw/zinc/14/21/37/968142137.db2.gz IEHFDRVLLLPWDN-HNNXBMFYSA-N 1 2 373.417 1.499 20 5 FDBDLO Nc1ccc([N+](=O)[O-])c(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)c1 ZINC000853910673 968425078 /nfs/dbraw/zinc/42/50/78/968425078.db2.gz YSEBLTPSYQDHSS-LJQANCHMSA-N 1 2 372.425 1.852 20 5 FDBDLO Nc1ccc([N+](=O)[O-])c(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)c1 ZINC000853910673 968425089 /nfs/dbraw/zinc/42/50/89/968425089.db2.gz YSEBLTPSYQDHSS-LJQANCHMSA-N 1 2 372.425 1.852 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CO1 ZINC000855409892 970350180 /nfs/dbraw/zinc/35/01/80/970350180.db2.gz HGANBROJVTULPH-NWDGAFQWSA-N 1 2 355.366 1.338 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CO1 ZINC000855409892 970350192 /nfs/dbraw/zinc/35/01/92/970350192.db2.gz HGANBROJVTULPH-NWDGAFQWSA-N 1 2 355.366 1.338 20 5 FDBDLO CCN1C[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)OC1=O ZINC000848749948 977067687 /nfs/dbraw/zinc/06/76/87/977067687.db2.gz ZPXPADFEPLIACL-GFCCVEGCSA-N 1 2 360.326 1.778 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)n1 ZINC000882331073 980567161 /nfs/dbraw/zinc/56/71/61/980567161.db2.gz VDBXUMKEXZBDBJ-UHFFFAOYSA-N 1 2 367.450 1.774 20 5 FDBDLO CC[C@@H]1COCC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000115574241 981682301 /nfs/dbraw/zinc/68/23/01/981682301.db2.gz DIXMVLFQGNQPMV-OAHLLOKOSA-N 1 2 362.430 1.354 20 5 FDBDLO CC[C@@H]1COCC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000115574241 981682306 /nfs/dbraw/zinc/68/23/06/981682306.db2.gz DIXMVLFQGNQPMV-OAHLLOKOSA-N 1 2 362.430 1.354 20 5 FDBDLO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc([N+](=O)[O-])c1 ZINC000857984516 981780204 /nfs/dbraw/zinc/78/02/04/981780204.db2.gz JLNWJOMRJMMGAG-LBPRGKRZSA-N 1 2 350.356 1.070 20 5 FDBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857987214 981781430 /nfs/dbraw/zinc/78/14/30/981781430.db2.gz WGMPARDOIUPGII-NSHDSACASA-N 1 2 360.326 1.252 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000332281396 983027712 /nfs/dbraw/zinc/02/77/12/983027712.db2.gz JJVLEWUVFFCAHI-GOEBONIOSA-N 1 2 362.430 1.494 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000332281396 983027721 /nfs/dbraw/zinc/02/77/21/983027721.db2.gz JJVLEWUVFFCAHI-GOEBONIOSA-N 1 2 362.430 1.494 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000332281396 983027732 /nfs/dbraw/zinc/02/77/32/983027732.db2.gz JJVLEWUVFFCAHI-GOEBONIOSA-N 1 2 362.430 1.494 20 5 FDBDLO Cc1c(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000870065720 985584739 /nfs/dbraw/zinc/58/47/39/985584739.db2.gz UGKLRTNCUPTBLH-INIZCTEOSA-N 1 2 363.414 1.005 20 5 FDBDLO O=C(C[N@H+]1CC[C@](CO)(C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000886803212 986591106 /nfs/dbraw/zinc/59/11/06/986591106.db2.gz FNDATEADMPQQCG-HNNXBMFYSA-N 1 2 373.331 1.731 20 5 FDBDLO O=C(C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000886803212 986591115 /nfs/dbraw/zinc/59/11/15/986591115.db2.gz FNDATEADMPQQCG-HNNXBMFYSA-N 1 2 373.331 1.731 20 5 FDBDLO Cc1cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000299414463 988446294 /nfs/dbraw/zinc/44/62/94/988446294.db2.gz WHQKRAUAMFHSQD-UHFFFAOYSA-N 1 2 357.370 1.902 20 5 FDBDLO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000366201920 988535689 /nfs/dbraw/zinc/53/56/89/988535689.db2.gz NDNIREHURJBGQZ-CYBMUJFWSA-N 1 2 359.386 1.454 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000873359612 988732362 /nfs/dbraw/zinc/73/23/62/988732362.db2.gz FQVNDUFLJFEXHL-INIZCTEOSA-N 1 2 374.397 1.544 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000873359612 988732368 /nfs/dbraw/zinc/73/23/68/988732368.db2.gz FQVNDUFLJFEXHL-INIZCTEOSA-N 1 2 374.397 1.544 20 5 FDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000363014533 988827897 /nfs/dbraw/zinc/82/78/97/988827897.db2.gz YBPAQVGFAQFVSF-UHFFFAOYSA-N 1 2 360.374 1.079 20 5 FDBDLO O=Cc1ccc(OCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000364192656 989508894 /nfs/dbraw/zinc/50/88/94/989508894.db2.gz VXAIMDRIANZSSL-OAHLLOKOSA-N 1 2 371.349 1.861 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000364300371 989532727 /nfs/dbraw/zinc/53/27/27/989532727.db2.gz CLYVKPNGJVONRY-XJKSGUPXSA-N 1 2 362.430 1.398 20 5 FDBDLO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3O)CCC[N@@H+]2C)cn1 ZINC000370429840 989739128 /nfs/dbraw/zinc/73/91/28/989739128.db2.gz FFYDRZREGLJVKV-SJKOYZFVSA-N 1 2 373.413 1.847 20 5 FDBDLO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3O)CCC[N@H+]2C)cn1 ZINC000370429840 989739136 /nfs/dbraw/zinc/73/91/36/989739136.db2.gz FFYDRZREGLJVKV-SJKOYZFVSA-N 1 2 373.413 1.847 20 5 FDBDLO COc1cc(OCC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000371046410 990203592 /nfs/dbraw/zinc/20/35/92/990203592.db2.gz YDOHZCZDPLTVEF-GFCCVEGCSA-N 1 2 360.370 1.732 20 5 FDBDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000371367053 990385041 /nfs/dbraw/zinc/38/50/41/990385041.db2.gz SCAMNINOYXFKGA-UHFFFAOYSA-N 1 2 371.397 1.037 20 5 FDBDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000371367053 990385045 /nfs/dbraw/zinc/38/50/45/990385045.db2.gz SCAMNINOYXFKGA-UHFFFAOYSA-N 1 2 371.397 1.037 20 5 FDBDLO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)C2=O)n(C)n1 ZINC000372330790 991019657 /nfs/dbraw/zinc/01/96/57/991019657.db2.gz MGWMNOCPPCXGQZ-DZGCQCFKSA-N 1 2 373.417 1.276 20 5 FDBDLO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)C2=O)n(C)n1 ZINC000372330790 991019666 /nfs/dbraw/zinc/01/96/66/991019666.db2.gz MGWMNOCPPCXGQZ-DZGCQCFKSA-N 1 2 373.417 1.276 20 5 FDBDLO O=C(N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000375277321 993046845 /nfs/dbraw/zinc/04/68/45/993046845.db2.gz JCRZNDGGCJISSM-CXAGYDPISA-N 1 2 369.381 1.568 20 5 FDBDLO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(CO)(CO)CC1 ZINC000877797980 993520863 /nfs/dbraw/zinc/52/08/63/993520863.db2.gz SYNBWYGVUIMYGW-UHFFFAOYSA-N 1 2 359.220 1.924 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000878194617 993777665 /nfs/dbraw/zinc/77/76/65/993777665.db2.gz HEDCXUDYTLNVIW-IAGOWNOFSA-N 1 2 360.414 1.924 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000878194617 993777674 /nfs/dbraw/zinc/77/76/74/993777674.db2.gz HEDCXUDYTLNVIW-IAGOWNOFSA-N 1 2 360.414 1.924 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000878512132 993993158 /nfs/dbraw/zinc/99/31/58/993993158.db2.gz QQLKOQPNIXFEID-UHFFFAOYSA-N 1 2 370.335 1.734 20 5 FDBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000826597668 998069541 /nfs/dbraw/zinc/06/95/41/998069541.db2.gz MRPNPHJSHKPCPD-KRWDZBQOSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000826597668 998069547 /nfs/dbraw/zinc/06/95/47/998069547.db2.gz MRPNPHJSHKPCPD-KRWDZBQOSA-N 1 2 370.409 1.929 20 5 FDBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000266456106 999167681 /nfs/dbraw/zinc/16/76/81/999167681.db2.gz YKWFLLXLPHSRBE-UHFFFAOYSA-N 1 2 372.429 1.951 20 5 FDBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000270924941 999634697 /nfs/dbraw/zinc/63/46/97/999634697.db2.gz PJPGIADMAZSVJQ-AWEZNQCLSA-N 1 2 357.370 1.842 20 5 FDBDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000270924941 999634700 /nfs/dbraw/zinc/63/47/00/999634700.db2.gz PJPGIADMAZSVJQ-AWEZNQCLSA-N 1 2 357.370 1.842 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000284212299 999780737 /nfs/dbraw/zinc/78/07/37/999780737.db2.gz UODKUXBBSMLZGX-MSOLQXFVSA-N 1 2 374.441 1.740 20 5 FDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000284212299 999780739 /nfs/dbraw/zinc/78/07/39/999780739.db2.gz UODKUXBBSMLZGX-MSOLQXFVSA-N 1 2 374.441 1.740 20 5 FDBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779213497 1002706786 /nfs/dbraw/zinc/70/67/86/1002706786.db2.gz KLALFOGIWRPTDH-LBPRGKRZSA-N 1 2 374.353 1.122 20 5 FDBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC000933188531 1005511721 /nfs/dbraw/zinc/51/17/21/1005511721.db2.gz PDNAWBZHDZAPNQ-KWCYVHTRSA-N 1 2 352.391 1.261 20 5 FDBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC000933188531 1005511722 /nfs/dbraw/zinc/51/17/22/1005511722.db2.gz PDNAWBZHDZAPNQ-KWCYVHTRSA-N 1 2 352.391 1.261 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000779339730 1008711385 /nfs/dbraw/zinc/71/13/85/1008711385.db2.gz DSRDOOJDZOIJPB-GFCCVEGCSA-N 1 2 370.837 1.811 20 5 FDBDLO 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UOLSGVRKVODQFO-GFCCVEGCSA-N 1 2 365.386 1.313 20 5 FDBDLO Cc1[nH+]c[nH]c1CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000266965486 999278825 /nfs/dbraw/zinc/27/88/25/999278825.db2.gz JMKYKZMXMQFBSC-UHFFFAOYSA-N 1 2 359.342 1.631 20 5 FDBDLO COC(OC)C(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000930955341 1003708514 /nfs/dbraw/zinc/70/85/14/1003708514.db2.gz UAMYHCIDQWCVBJ-UHFFFAOYSA-N 1 2 367.402 1.127 20 5 FDBDLO CCn1c[nH+]c2c1CCN(CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000933262093 1005527008 /nfs/dbraw/zinc/52/70/08/1005527008.db2.gz LVPJAASBMOPXTA-UHFFFAOYSA-N 1 2 355.398 1.759 20 5 FDBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000935842122 1006060212 /nfs/dbraw/zinc/06/02/12/1006060212.db2.gz DPXZGERMTRXOPF-HNNXBMFYSA-N 1 2 350.394 1.173 20 5 FDBDLO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000935842122 1006060224 /nfs/dbraw/zinc/06/02/24/1006060224.db2.gz DPXZGERMTRXOPF-HNNXBMFYSA-N 1 2 350.394 1.173 20 5 FDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935936672 1006152490 /nfs/dbraw/zinc/15/24/90/1006152490.db2.gz YKOSBYAQIKJIRB-CJNGLKHVSA-N 1 2 365.405 1.988 20 5 FDBDLO CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000956416250 1008132263 /nfs/dbraw/zinc/13/22/63/1008132263.db2.gz FRDBNVVOWODLMI-IUODEOHRSA-N 1 2 371.397 1.339 20 5 FDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCOc2cc(C)ccc2C)C1 ZINC000950055526 1008700868 /nfs/dbraw/zinc/70/08/68/1008700868.db2.gz AGYIBVKTJDUSKO-IAGOWNOFSA-N 1 2 361.442 1.880 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509058107 538940590 /nfs/dbraw/zinc/94/05/90/538940590.db2.gz RKJVAAXTTZNYNB-UHFFFAOYSA-N 1 2 353.386 1.594 20 5 FDBDLO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263945233 179001640 /nfs/dbraw/zinc/00/16/40/179001640.db2.gz LJJSRTXKFFNPDI-CYBMUJFWSA-N 1 2 367.369 1.918 20 5 FDBDLO C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000264241926 179057910 /nfs/dbraw/zinc/05/79/10/179057910.db2.gz JPXLAJGEHOZCHJ-STQMWFEESA-N 1 2 353.444 1.912 20 5 FDBDLO C[C@H]([C@H](C)NC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000264241924 179058011 /nfs/dbraw/zinc/05/80/11/179058011.db2.gz JPXLAJGEHOZCHJ-QWHCGFSZSA-N 1 2 353.444 1.912 20 5 FDBDLO CNC(=O)c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000264297407 179071170 /nfs/dbraw/zinc/07/11/70/179071170.db2.gz LFZADDYVGWDNLN-UHFFFAOYSA-N 1 2 374.401 1.227 20 5 FDBDLO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264542245 179131270 /nfs/dbraw/zinc/13/12/70/179131270.db2.gz RJIIJXJWTOGJFC-GFCCVEGCSA-N 1 2 367.369 1.918 20 5 FDBDLO CCOCC[NH+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000264696738 179170557 /nfs/dbraw/zinc/17/05/57/179170557.db2.gz ISOOUCFHCHMTLA-UHFFFAOYSA-N 1 2 365.386 1.176 20 5 FDBDLO COCC[C@H](C)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000268041680 674066746 /nfs/dbraw/zinc/06/67/46/674066746.db2.gz URRGRMDVKOVBAL-ZDUSSCGKSA-N 1 2 371.459 1.545 20 5 FDBDLO C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000268296153 180045997 /nfs/dbraw/zinc/04/59/97/180045997.db2.gz WKVNKTGYQUWYEM-NHYWBVRUSA-N 1 2 365.415 1.526 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269104857 180216232 /nfs/dbraw/zinc/21/62/32/180216232.db2.gz BAMZAKPRALLASI-GOSISDBHSA-N 1 2 371.393 1.931 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269104857 180216235 /nfs/dbraw/zinc/21/62/35/180216235.db2.gz BAMZAKPRALLASI-GOSISDBHSA-N 1 2 371.393 1.931 20 5 FDBDLO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269104818 180216658 /nfs/dbraw/zinc/21/66/58/180216658.db2.gz AXXHKKHKGFVECM-UHFFFAOYSA-N 1 2 364.402 1.021 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000269315301 180272966 /nfs/dbraw/zinc/27/29/66/180272966.db2.gz BDXPZSAOXUORAS-UHFFFAOYSA-N 1 2 355.358 1.952 20 5 FDBDLO CCNC(=O)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269440741 180303310 /nfs/dbraw/zinc/30/33/10/180303310.db2.gz QQCRYZOPLZMXHE-UHFFFAOYSA-N 1 2 359.386 1.673 20 5 FDBDLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000274155635 181035105 /nfs/dbraw/zinc/03/51/05/181035105.db2.gz DMIHFKHMSKGMII-CYBMUJFWSA-N 1 2 357.432 1.298 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274841391 181174941 /nfs/dbraw/zinc/17/49/41/181174941.db2.gz VQCFLIZTQNCXSA-UHFFFAOYSA-N 1 2 372.385 1.284 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274841391 181174942 /nfs/dbraw/zinc/17/49/42/181174942.db2.gz VQCFLIZTQNCXSA-UHFFFAOYSA-N 1 2 372.385 1.284 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533034362 540195816 /nfs/dbraw/zinc/19/58/16/540195816.db2.gz KBKCSCNVUSAQOT-CYBMUJFWSA-N 1 2 361.402 1.331 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533034362 540195820 /nfs/dbraw/zinc/19/58/20/540195820.db2.gz KBKCSCNVUSAQOT-CYBMUJFWSA-N 1 2 361.402 1.331 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533032071 540196115 /nfs/dbraw/zinc/19/61/15/540196115.db2.gz DDTABBIPYHCCDC-AWEZNQCLSA-N 1 2 361.402 1.331 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533032071 540196116 /nfs/dbraw/zinc/19/61/16/540196116.db2.gz DDTABBIPYHCCDC-AWEZNQCLSA-N 1 2 361.402 1.331 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000274980588 181210559 /nfs/dbraw/zinc/21/05/59/181210559.db2.gz MFSKENGKZQMXIB-GUTXKFCHSA-N 1 2 352.387 1.608 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000274980588 181210561 /nfs/dbraw/zinc/21/05/61/181210561.db2.gz MFSKENGKZQMXIB-GUTXKFCHSA-N 1 2 352.387 1.608 20 5 FDBDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274986698 181212464 /nfs/dbraw/zinc/21/24/64/181212464.db2.gz NFTUTMDCFLSCDD-UHFFFAOYSA-N 1 2 363.761 1.328 20 5 FDBDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274986698 181212466 /nfs/dbraw/zinc/21/24/66/181212466.db2.gz NFTUTMDCFLSCDD-UHFFFAOYSA-N 1 2 363.761 1.328 20 5 FDBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000275046060 181224630 /nfs/dbraw/zinc/22/46/30/181224630.db2.gz ZEFABYNVGZJSLQ-LBPRGKRZSA-N 1 2 355.395 1.017 20 5 FDBDLO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000275046060 181224631 /nfs/dbraw/zinc/22/46/31/181224631.db2.gz ZEFABYNVGZJSLQ-LBPRGKRZSA-N 1 2 355.395 1.017 20 5 FDBDLO Cc1cn2c([nH+]1)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)CCC2 ZINC000533560852 540265216 /nfs/dbraw/zinc/26/52/16/540265216.db2.gz QTXOPACGBDGCDA-NSHDSACASA-N 1 2 365.415 1.737 20 5 FDBDLO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000536509113 540605016 /nfs/dbraw/zinc/60/50/16/540605016.db2.gz DHUOFIAGXSNUGG-UHFFFAOYSA-N 1 2 364.383 1.903 20 5 FDBDLO CN(CCc1cnccn1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000536528191 540609089 /nfs/dbraw/zinc/60/90/89/540609089.db2.gz HKPZSZLFJXKYMM-UHFFFAOYSA-N 1 2 352.354 1.885 20 5 FDBDLO CCOC(=O)C1(O)CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000536659780 540636703 /nfs/dbraw/zinc/63/67/03/540636703.db2.gz WYYNEDXDQVZSBF-UHFFFAOYSA-N 1 2 368.386 1.502 20 5 FDBDLO Cn1cc(C[N@@H+]2CCn3c(CO)nnc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536696845 540640999 /nfs/dbraw/zinc/64/09/99/540640999.db2.gz DGDBJLLIZPKMGV-UHFFFAOYSA-N 1 2 369.385 1.095 20 5 FDBDLO Cn1cc(C[N@H+]2CCn3c(CO)nnc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536696845 540641002 /nfs/dbraw/zinc/64/10/02/540641002.db2.gz DGDBJLLIZPKMGV-UHFFFAOYSA-N 1 2 369.385 1.095 20 5 FDBDLO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000540532213 541071536 /nfs/dbraw/zinc/07/15/36/541071536.db2.gz OXRNSEYPXZRGPR-UHFFFAOYSA-N 1 2 358.354 1.713 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000543170207 541542256 /nfs/dbraw/zinc/54/22/56/541542256.db2.gz QSBSVCBQGKVTSI-MNOVXSKESA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000543170207 541542260 /nfs/dbraw/zinc/54/22/60/541542260.db2.gz QSBSVCBQGKVTSI-MNOVXSKESA-N 1 2 371.415 1.095 20 5 FDBDLO COc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000543960849 541690778 /nfs/dbraw/zinc/69/07/78/541690778.db2.gz BWGLUMIIJDPFJD-UHFFFAOYSA-N 1 2 361.358 1.335 20 5 FDBDLO COCc1cnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000544599976 541793451 /nfs/dbraw/zinc/79/34/51/541793451.db2.gz UNRHEPUHELSMCM-UHFFFAOYSA-N 1 2 371.440 1.761 20 5 FDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000544738392 541820233 /nfs/dbraw/zinc/82/02/33/541820233.db2.gz WQGLTTSVHWBBNG-UHFFFAOYSA-N 1 2 370.413 1.124 20 5 FDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCOCC2)CC1 ZINC000277592859 181809417 /nfs/dbraw/zinc/80/94/17/181809417.db2.gz NJSJXSQSILJQKQ-UHFFFAOYSA-N 1 2 362.430 1.768 20 5 FDBDLO COCCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283089117 182104993 /nfs/dbraw/zinc/10/49/93/182104993.db2.gz LEQYVZDJFYSXEM-CYBMUJFWSA-N 1 2 360.407 1.760 20 5 FDBDLO COCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283089117 182104995 /nfs/dbraw/zinc/10/49/95/182104995.db2.gz LEQYVZDJFYSXEM-CYBMUJFWSA-N 1 2 360.407 1.760 20 5 FDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000283787787 182274961 /nfs/dbraw/zinc/27/49/61/182274961.db2.gz GGGBRVLAJDMTEZ-ZDUSSCGKSA-N 1 2 371.397 1.487 20 5 FDBDLO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000545861449 542028505 /nfs/dbraw/zinc/02/85/05/542028505.db2.gz KSVLVUHFCPQUML-UHFFFAOYSA-N 1 2 367.427 1.380 20 5 FDBDLO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000545861449 542028500 /nfs/dbraw/zinc/02/85/00/542028500.db2.gz KSVLVUHFCPQUML-UHFFFAOYSA-N 1 2 367.427 1.380 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000546178042 542117009 /nfs/dbraw/zinc/11/70/09/542117009.db2.gz BLKUSGNWCRGQRF-UHFFFAOYSA-N 1 2 364.305 1.832 20 5 FDBDLO COc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000287141673 183222133 /nfs/dbraw/zinc/22/21/33/183222133.db2.gz MYUJTPUPIXYULC-TZMCWYRMSA-N 1 2 364.402 1.930 20 5 FDBDLO COc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000287610632 183336259 /nfs/dbraw/zinc/33/62/59/183336259.db2.gz STAXIGHITNJLGW-INIZCTEOSA-N 1 2 363.414 1.721 20 5 FDBDLO COc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000287610632 183336262 /nfs/dbraw/zinc/33/62/62/183336262.db2.gz STAXIGHITNJLGW-INIZCTEOSA-N 1 2 363.414 1.721 20 5 FDBDLO COc1ccc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000295169535 184041219 /nfs/dbraw/zinc/04/12/19/184041219.db2.gz 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CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1OC ZINC000548880281 542797086 /nfs/dbraw/zinc/79/70/86/542797086.db2.gz JUILXSNPUDEWJT-LBPRGKRZSA-N 1 2 367.402 1.453 20 5 FDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1OC ZINC000548880281 542797090 /nfs/dbraw/zinc/79/70/90/542797090.db2.gz JUILXSNPUDEWJT-LBPRGKRZSA-N 1 2 367.402 1.453 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000552158520 543427305 /nfs/dbraw/zinc/42/73/05/543427305.db2.gz LTJDWBUNALZTQL-CQSZACIVSA-N 1 2 358.398 1.688 20 5 FDBDLO COc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000134331780 173323103 /nfs/dbraw/zinc/32/31/03/173323103.db2.gz OBYFLVXVDHHJHJ-ZDUSSCGKSA-N 1 2 357.432 1.506 20 5 FDBDLO COc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000134331780 173323106 /nfs/dbraw/zinc/32/31/06/173323106.db2.gz OBYFLVXVDHHJHJ-ZDUSSCGKSA-N 1 2 357.432 1.506 20 5 FDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 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YRZABRMQJFMQQC-UHFFFAOYSA-N 1 2 356.346 1.331 20 5 FDBDLO COC(=O)CN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+]1CCOCC1 ZINC000179586997 258354319 /nfs/dbraw/zinc/35/43/19/258354319.db2.gz JYPGRAOUKDYUOD-GQCTYLIASA-N 1 2 363.414 1.415 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000178930970 258339840 /nfs/dbraw/zinc/33/98/40/258339840.db2.gz SSPKZRFRJOPLDM-HNNXBMFYSA-N 1 2 367.427 1.953 20 5 FDBDLO CC[C@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(C(N)=O)C(C)C ZINC000182515266 258378359 /nfs/dbraw/zinc/37/83/59/258378359.db2.gz VZGMGOVAGIUAFG-QGZVFWFLSA-N 1 2 359.386 1.800 20 5 FDBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)c1 ZINC000554858157 543882322 /nfs/dbraw/zinc/88/23/22/543882322.db2.gz KNMKNIIRMVIBHV-LBPRGKRZSA-N 1 2 359.386 1.846 20 5 FDBDLO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000556871176 544216678 /nfs/dbraw/zinc/21/66/78/544216678.db2.gz KJSAQLKHWRXWNB-WMLDXEAASA-N 1 2 367.413 1.922 20 5 FDBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000558247693 544404176 /nfs/dbraw/zinc/40/41/76/544404176.db2.gz MASOMUDKZXHSEF-UHFFFAOYSA-N 1 2 365.367 1.332 20 5 FDBDLO CC(C)[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000559044355 544577915 /nfs/dbraw/zinc/57/79/15/544577915.db2.gz DLGUNZAOLKMBBR-INIZCTEOSA-N 1 2 373.369 1.557 20 5 FDBDLO CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000559296819 544634037 /nfs/dbraw/zinc/63/40/37/544634037.db2.gz SOLSVVUYXFJYQZ-IUODEOHRSA-N 1 2 361.402 2.299 20 5 FDBDLO CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1CCO[C@H](CC)C1 ZINC000559296819 544634042 /nfs/dbraw/zinc/63/40/42/544634042.db2.gz SOLSVVUYXFJYQZ-IUODEOHRSA-N 1 2 361.402 2.299 20 5 FDBDLO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000298938612 258957911 /nfs/dbraw/zinc/95/79/11/258957911.db2.gz ODKSQRVUDLFWQW-CYBMUJFWSA-N 1 2 364.402 1.021 20 5 FDBDLO 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NC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375512412 261359375 /nfs/dbraw/zinc/35/93/75/261359375.db2.gz NNWNISPHTBVOFY-RKDXNWHRSA-N 1 2 360.292 1.129 20 5 FDBDLO NC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000375512412 261359377 /nfs/dbraw/zinc/35/93/77/261359377.db2.gz NNWNISPHTBVOFY-RKDXNWHRSA-N 1 2 360.292 1.129 20 5 FDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)CCC2 ZINC000378242422 261992289 /nfs/dbraw/zinc/99/22/89/261992289.db2.gz CIFFIFMJMMLMTK-AWEZNQCLSA-N 1 2 360.418 1.997 20 5 FDBDLO C[N@@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C(=O)C1 ZINC000378605225 262052391 /nfs/dbraw/zinc/05/23/91/262052391.db2.gz FVPXOGPPPQFOQP-UHFFFAOYSA-N 1 2 369.425 1.886 20 5 FDBDLO C[N@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C(=O)C1 ZINC000378605225 262052392 /nfs/dbraw/zinc/05/23/92/262052392.db2.gz FVPXOGPPPQFOQP-UHFFFAOYSA-N 1 2 369.425 1.886 20 5 FDBDLO CC(C)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000271312508 674333600 /nfs/dbraw/zinc/33/36/00/674333600.db2.gz MGRSNAUJPGXNHA-UHFFFAOYSA-N 1 2 365.415 1.440 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000016093654 518743406 /nfs/dbraw/zinc/74/34/06/518743406.db2.gz CQGAWLUGFHIDIU-UHFFFAOYSA-N 1 2 362.411 1.809 20 5 FDBDLO CN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000026481174 519124087 /nfs/dbraw/zinc/12/40/87/519124087.db2.gz WCEUDEGZRIBKRH-UHFFFAOYSA-N 1 2 355.398 1.775 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000028482309 519239094 /nfs/dbraw/zinc/23/90/94/519239094.db2.gz OKRLSWHGEOHYMG-UHFFFAOYSA-N 1 2 371.397 1.071 20 5 FDBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000032236517 519486942 /nfs/dbraw/zinc/48/69/42/519486942.db2.gz ZXLFVDDEISGDLF-UHFFFAOYSA-N 1 2 373.413 1.453 20 5 FDBDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041490720 519658190 /nfs/dbraw/zinc/65/81/90/519658190.db2.gz ABOZOOYSXQZRSR-UHFFFAOYSA-N 1 2 369.381 1.845 20 5 FDBDLO CCCc1n[nH]c(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000069374299 521866744 /nfs/dbraw/zinc/86/67/44/521866744.db2.gz YCPAFLDYADLOKI-UHFFFAOYSA-N 1 2 374.401 1.432 20 5 FDBDLO CN(C)C(=O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000043703898 521882789 /nfs/dbraw/zinc/88/27/89/521882789.db2.gz HEDDGTZOXYXSND-UHFFFAOYSA-N 1 2 371.397 1.721 20 5 FDBDLO CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000072665196 522348976 /nfs/dbraw/zinc/34/89/76/522348976.db2.gz BNIDUYOAUFUNCL-GUYCJALGSA-N 1 2 363.418 1.206 20 5 FDBDLO CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000072665196 522348983 /nfs/dbraw/zinc/34/89/83/522348983.db2.gz BNIDUYOAUFUNCL-GUYCJALGSA-N 1 2 363.418 1.206 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000072768204 522376345 /nfs/dbraw/zinc/37/63/45/522376345.db2.gz WFNPQVXZSAOTDG-HNNXBMFYSA-N 1 2 362.430 1.638 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000072768204 522376353 /nfs/dbraw/zinc/37/63/53/522376353.db2.gz WFNPQVXZSAOTDG-HNNXBMFYSA-N 1 2 362.430 1.638 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000072768204 522376358 /nfs/dbraw/zinc/37/63/58/522376358.db2.gz WFNPQVXZSAOTDG-HNNXBMFYSA-N 1 2 362.430 1.638 20 5 FDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047027652 522427900 /nfs/dbraw/zinc/42/79/00/522427900.db2.gz QPBDGJYSRIPMOX-CQSZACIVSA-N 1 2 358.402 1.712 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000048939592 522795676 /nfs/dbraw/zinc/79/56/76/522795676.db2.gz WCQKJYVOCGBECT-UHFFFAOYSA-N 1 2 369.337 1.506 20 5 FDBDLO Cc1cc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074738802 522827949 /nfs/dbraw/zinc/82/79/49/522827949.db2.gz ZDSWIQYEDJRPKO-UHFFFAOYSA-N 1 2 369.425 1.737 20 5 FDBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000065758289 522878786 /nfs/dbraw/zinc/87/87/86/522878786.db2.gz JWWAPOXRYDYFIO-UHFFFAOYSA-N 1 2 363.374 1.470 20 5 FDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000065769490 522883359 /nfs/dbraw/zinc/88/33/59/522883359.db2.gz REIMUSLAZFTWTH-UHFFFAOYSA-N 1 2 373.413 1.330 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000075581153 522937872 /nfs/dbraw/zinc/93/78/72/522937872.db2.gz NPWJGAUFNCMAJY-UHFFFAOYSA-N 1 2 369.443 1.852 20 5 FDBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051422940 523019796 /nfs/dbraw/zinc/01/97/96/523019796.db2.gz CXVXBLPRPWRRNJ-CQSZACIVSA-N 1 2 364.446 1.636 20 5 FDBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000076267442 523058474 /nfs/dbraw/zinc/05/84/74/523058474.db2.gz KFVVLLNNQQALIA-AWEZNQCLSA-N 1 2 358.402 1.761 20 5 FDBDLO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493330 523083736 /nfs/dbraw/zinc/08/37/36/523083736.db2.gz KTNSMUWCSLSRSY-CQSZACIVSA-N 1 2 358.416 1.109 20 5 FDBDLO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493330 523083747 /nfs/dbraw/zinc/08/37/47/523083747.db2.gz KTNSMUWCSLSRSY-CQSZACIVSA-N 1 2 358.416 1.109 20 5 FDBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000076466205 523121274 /nfs/dbraw/zinc/12/12/74/523121274.db2.gz VIDIVUNKGCVJJD-UHFFFAOYSA-N 1 2 359.386 1.593 20 5 FDBDLO O=C(NC[C@@H](O)C1CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000077044763 523240732 /nfs/dbraw/zinc/24/07/32/523240732.db2.gz LCCVZRDLDOSWPB-MRXNPFEDSA-N 1 2 360.370 1.298 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)c[nH+]2)C[C@@H](C)O1 ZINC000053266689 523383551 /nfs/dbraw/zinc/38/35/51/523383551.db2.gz BGJKONWLKWNFDF-CHWSQXEVSA-N 1 2 374.401 1.116 20 5 FDBDLO CC(C)C(=O)NC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067377144 523414506 /nfs/dbraw/zinc/41/45/06/523414506.db2.gz MRXMJAJENQNHGK-KRWDZBQOSA-N 1 2 374.441 1.937 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000067417569 523441434 /nfs/dbraw/zinc/44/14/34/523441434.db2.gz HQCIVWJFPULZIO-CYBMUJFWSA-N 1 2 364.402 1.390 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CNC(C)=O)C2)c([N+](=O)[O-])c1 ZINC000067417569 523441449 /nfs/dbraw/zinc/44/14/49/523441449.db2.gz HQCIVWJFPULZIO-CYBMUJFWSA-N 1 2 364.402 1.390 20 5 FDBDLO CNC(=O)c1ccc(N2CC[NH+](Cc3c(C)noc3C)CC2)c([N+](=O)[O-])c1 ZINC000053559565 523463559 /nfs/dbraw/zinc/46/35/59/523463559.db2.gz VMRYNMZUFVZYAR-UHFFFAOYSA-N 1 2 373.413 1.881 20 5 FDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000078511791 523595143 /nfs/dbraw/zinc/59/51/43/523595143.db2.gz JLLOZCQUDAQYBG-CHWSQXEVSA-N 1 2 350.419 1.500 20 5 FDBDLO CN(CC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000079489288 523756218 /nfs/dbraw/zinc/75/62/18/523756218.db2.gz PVPNYSNZZPWBTR-UHFFFAOYSA-N 1 2 357.414 1.923 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068353557 523767810 /nfs/dbraw/zinc/76/78/10/523767810.db2.gz PLAGXJQPJIJOIW-RYUDHWBXSA-N 1 2 371.821 1.852 20 5 FDBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000068849624 523869381 /nfs/dbraw/zinc/86/93/81/523869381.db2.gz SDNXRBIVTSJYKP-CYBMUJFWSA-N 1 2 368.459 1.021 20 5 FDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(F)c1 ZINC000135737334 524167758 /nfs/dbraw/zinc/16/77/58/524167758.db2.gz LLSJOJYTDUCJEF-AWEZNQCLSA-N 1 2 357.407 1.734 20 5 FDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(F)c1 ZINC000135737334 524167761 /nfs/dbraw/zinc/16/77/61/524167761.db2.gz LLSJOJYTDUCJEF-AWEZNQCLSA-N 1 2 357.407 1.734 20 5 FDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1CCOC ZINC000172264402 524185424 /nfs/dbraw/zinc/18/54/24/524185424.db2.gz CBTNYLBGUYZOQG-CQSZACIVSA-N 1 2 371.459 1.635 20 5 FDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1CCOC ZINC000172264402 524185428 /nfs/dbraw/zinc/18/54/28/524185428.db2.gz CBTNYLBGUYZOQG-CQSZACIVSA-N 1 2 371.459 1.635 20 5 FDBDLO NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000172427610 524221151 /nfs/dbraw/zinc/22/11/51/524221151.db2.gz ZEJBOFAHNJERKI-AAEUAGOBSA-N 1 2 357.370 1.554 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121519081 524281684 /nfs/dbraw/zinc/28/16/84/524281684.db2.gz PHSGROKAURSXJR-ZDUSSCGKSA-N 1 2 360.414 1.866 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121519081 524281690 /nfs/dbraw/zinc/28/16/90/524281690.db2.gz PHSGROKAURSXJR-ZDUSSCGKSA-N 1 2 360.414 1.866 20 5 FDBDLO Cn1c[nH+]cc1CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000121572804 524296332 /nfs/dbraw/zinc/29/63/32/524296332.db2.gz VYPFKOTVEYCCKC-UHFFFAOYSA-N 1 2 359.386 1.137 20 5 FDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000087137955 524415831 /nfs/dbraw/zinc/41/58/31/524415831.db2.gz KICHOHWQUMIIPD-AWEZNQCLSA-N 1 2 361.446 1.298 20 5 FDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000088757873 524466685 /nfs/dbraw/zinc/46/66/85/524466685.db2.gz VHLIVAIVVGRIAS-ZDUSSCGKSA-N 1 2 350.394 1.867 20 5 FDBDLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000151423462 524572450 /nfs/dbraw/zinc/57/24/50/524572450.db2.gz QCVLFSBJKXZSRU-IUODEOHRSA-N 1 2 357.370 1.840 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000122723127 524600504 /nfs/dbraw/zinc/60/05/04/524600504.db2.gz KRHCYXYQCRXFRR-OLZOCXBDSA-N 1 2 357.432 1.061 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000122723127 524600514 /nfs/dbraw/zinc/60/05/14/524600514.db2.gz KRHCYXYQCRXFRR-OLZOCXBDSA-N 1 2 357.432 1.061 20 5 FDBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151713779 524663260 /nfs/dbraw/zinc/66/32/60/524663260.db2.gz BVNLCOGLFWKEFP-CQSZACIVSA-N 1 2 373.417 1.275 20 5 FDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000123301407 524722324 /nfs/dbraw/zinc/72/23/24/524722324.db2.gz CENMIEBEEMQORF-CSPWOOARSA-N 1 2 358.442 1.893 20 5 FDBDLO Cc1cc(C(=O)N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c(C)o1 ZINC000159775989 524736351 /nfs/dbraw/zinc/73/63/51/524736351.db2.gz OXXODOONWMGCLK-UHFFFAOYSA-N 1 2 374.397 1.424 20 5 FDBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092068662 524842771 /nfs/dbraw/zinc/84/27/71/524842771.db2.gz UDMFDAXSLNBOFZ-LLVKDONJSA-N 1 2 365.358 1.320 20 5 FDBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092068662 524842780 /nfs/dbraw/zinc/84/27/80/524842780.db2.gz UDMFDAXSLNBOFZ-LLVKDONJSA-N 1 2 365.358 1.320 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160396626 524878137 /nfs/dbraw/zinc/87/81/37/524878137.db2.gz NDNWMWPHTJUEEG-CYBMUJFWSA-N 1 2 371.459 1.404 20 5 FDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000115164757 524948235 /nfs/dbraw/zinc/94/82/35/524948235.db2.gz XRGCCQSGLUTDKR-GFCCVEGCSA-N 1 2 351.428 1.910 20 5 FDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000115164757 524948244 /nfs/dbraw/zinc/94/82/44/524948244.db2.gz XRGCCQSGLUTDKR-GFCCVEGCSA-N 1 2 351.428 1.910 20 5 FDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000124650289 525042027 /nfs/dbraw/zinc/04/20/27/525042027.db2.gz BWLQCJOFPLMOKP-ZDUSSCGKSA-N 1 2 355.354 1.323 20 5 FDBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)NCC(F)(F)F ZINC000153240552 525153019 /nfs/dbraw/zinc/15/30/19/525153019.db2.gz MYDCOLLTGFNQBM-UHFFFAOYSA-N 1 2 374.319 1.947 20 5 FDBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)NCC(F)(F)F ZINC000153240552 525153025 /nfs/dbraw/zinc/15/30/25/525153025.db2.gz MYDCOLLTGFNQBM-UHFFFAOYSA-N 1 2 374.319 1.947 20 5 FDBDLO COCCOC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000116885640 525240896 /nfs/dbraw/zinc/24/08/96/525240896.db2.gz RWZNEUFUMJJXRY-UHFFFAOYSA-N 1 2 351.403 1.969 20 5 FDBDLO C[C@H](CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000153717753 525297989 /nfs/dbraw/zinc/29/79/89/525297989.db2.gz UFYWKACKZNQGAT-CHWSQXEVSA-N 1 2 359.386 1.362 20 5 FDBDLO C[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177841331 525353546 /nfs/dbraw/zinc/35/35/46/525353546.db2.gz RFZIYRUJLPJBIS-LLVKDONJSA-N 1 2 366.399 1.334 20 5 FDBDLO COc1cc(OCC(=O)NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000178068997 525379233 /nfs/dbraw/zinc/37/92/33/525379233.db2.gz KSJOCDALXCGLNF-UHFFFAOYSA-N 1 2 356.338 1.946 20 5 FDBDLO C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000104758493 525432855 /nfs/dbraw/zinc/43/28/55/525432855.db2.gz WZLZLBPLHFEXJK-CHWSQXEVSA-N 1 2 357.432 1.123 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000106028605 525547313 /nfs/dbraw/zinc/54/73/13/525547313.db2.gz AWXLLYVQHIFKOF-UHFFFAOYSA-N 1 2 359.386 1.295 20 5 FDBDLO COc1ccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000106032736 525551857 /nfs/dbraw/zinc/55/18/57/525551857.db2.gz QVTKBXSZVAQAFT-UHFFFAOYSA-N 1 2 359.386 1.295 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106441529 525726733 /nfs/dbraw/zinc/72/67/33/525726733.db2.gz LZMSLHVZZYWMLN-CQSZACIVSA-N 1 2 372.429 1.473 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106441526 525727926 /nfs/dbraw/zinc/72/79/26/525727926.db2.gz LZMSLHVZZYWMLN-AWEZNQCLSA-N 1 2 372.429 1.473 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181285205 525834323 /nfs/dbraw/zinc/83/43/23/525834323.db2.gz LZUUZDSGTUMYMA-UFBFGSQYSA-N 1 2 365.308 1.785 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181285205 525834329 /nfs/dbraw/zinc/83/43/29/525834329.db2.gz LZUUZDSGTUMYMA-UFBFGSQYSA-N 1 2 365.308 1.785 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCCCCO)CC1 ZINC000171143124 525870827 /nfs/dbraw/zinc/87/08/27/525870827.db2.gz SMIWLXXOKYPQIN-UHFFFAOYSA-N 1 2 357.432 1.064 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000155536641 525897855 /nfs/dbraw/zinc/89/78/55/525897855.db2.gz IKEVPDFPYMQDPU-UHFFFAOYSA-N 1 2 360.374 1.278 20 5 FDBDLO CCc1n[nH]c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000171369622 525965888 /nfs/dbraw/zinc/96/58/88/525965888.db2.gz ZWHJWXMDAWPTHX-GFCCVEGCSA-N 1 2 353.423 1.357 20 5 FDBDLO CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182206929 526093105 /nfs/dbraw/zinc/09/31/05/526093105.db2.gz VKIGZJGKJWTXAU-CQSZACIVSA-N 1 2 365.430 1.525 20 5 FDBDLO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCSC1 ZINC000133885239 526104042 /nfs/dbraw/zinc/10/40/42/526104042.db2.gz ATRSYJUFOSRHII-LBPRGKRZSA-N 1 2 362.415 1.756 20 5 FDBDLO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCSC1 ZINC000133885239 526104053 /nfs/dbraw/zinc/10/40/53/526104053.db2.gz ATRSYJUFOSRHII-LBPRGKRZSA-N 1 2 362.415 1.756 20 5 FDBDLO COc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000134546929 526164925 /nfs/dbraw/zinc/16/49/25/526164925.db2.gz ORHMWZSZMWVVES-UHFFFAOYSA-N 1 2 354.388 1.511 20 5 FDBDLO CC[C@@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(C(N)=O)C(C)C ZINC000182515283 526195889 /nfs/dbraw/zinc/19/58/89/526195889.db2.gz VZGMGOVAGIUAFG-KRWDZBQOSA-N 1 2 359.386 1.800 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000183353457 535965583 /nfs/dbraw/zinc/96/55/83/535965583.db2.gz VJWAFUXAKFQUBU-UHFFFAOYSA-N 1 2 371.397 1.693 20 5 FDBDLO C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000183649379 536021923 /nfs/dbraw/zinc/02/19/23/536021923.db2.gz NAKSZXGFYSAULV-KBPBESRZSA-N 1 2 371.459 1.166 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183786777 536048802 /nfs/dbraw/zinc/04/88/02/536048802.db2.gz QTWJZAVRDHXMJU-UHFFFAOYSA-N 1 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O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000185766196 536217100 /nfs/dbraw/zinc/21/71/00/536217100.db2.gz KQGYYDIGCNPLTR-HZPDHXFCSA-N 1 2 371.393 1.666 20 5 FDBDLO C[C@@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000186384908 536233540 /nfs/dbraw/zinc/23/35/40/536233540.db2.gz QUUUJTJTZYERKS-RISCZKNCSA-N 1 2 351.378 1.817 20 5 FDBDLO C[C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000186384908 536233541 /nfs/dbraw/zinc/23/35/41/536233541.db2.gz QUUUJTJTZYERKS-RISCZKNCSA-N 1 2 351.378 1.817 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187287838 536260230 /nfs/dbraw/zinc/26/02/30/536260230.db2.gz LWJMBIAVNACEHE-JTQLQIEISA-N 1 2 361.320 1.752 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187287838 536260231 /nfs/dbraw/zinc/26/02/31/536260231.db2.gz LWJMBIAVNACEHE-JTQLQIEISA-N 1 2 361.320 1.752 20 5 FDBDLO CCCN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000187879089 536277222 /nfs/dbraw/zinc/27/72/22/536277222.db2.gz NAJMDDIFGJUIDH-CQSZACIVSA-N 1 2 365.430 1.667 20 5 FDBDLO CCCN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000187879089 536277223 /nfs/dbraw/zinc/27/72/23/536277223.db2.gz NAJMDDIFGJUIDH-CQSZACIVSA-N 1 2 365.430 1.667 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1CCO ZINC000188759676 536943854 /nfs/dbraw/zinc/94/38/54/536943854.db2.gz MBFGISIHVAHCOD-SNVBAGLBSA-N 1 2 359.329 1.335 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1CCO ZINC000188759676 536943858 /nfs/dbraw/zinc/94/38/58/536943858.db2.gz MBFGISIHVAHCOD-SNVBAGLBSA-N 1 2 359.329 1.335 20 5 FDBDLO C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188799171 536951480 /nfs/dbraw/zinc/95/14/80/536951480.db2.gz UOJJERAYWDBLRA-LBPRGKRZSA-N 1 2 357.432 1.061 20 5 FDBDLO C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188799171 536951484 /nfs/dbraw/zinc/95/14/84/536951484.db2.gz UOJJERAYWDBLRA-LBPRGKRZSA-N 1 2 357.432 1.061 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267556553 536979253 /nfs/dbraw/zinc/97/92/53/536979253.db2.gz IQVUTVRFVVIUFD-GFCCVEGCSA-N 1 2 372.809 1.405 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000189846791 537104911 /nfs/dbraw/zinc/10/49/11/537104911.db2.gz PDHNAADQEXGJOA-HNNXBMFYSA-N 1 2 351.403 1.829 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCNC(=O)[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000189846791 537104916 /nfs/dbraw/zinc/10/49/16/537104916.db2.gz PDHNAADQEXGJOA-HNNXBMFYSA-N 1 2 351.403 1.829 20 5 FDBDLO CC(C)c1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000190049510 537132303 /nfs/dbraw/zinc/13/23/03/537132303.db2.gz BMLMKINLVWJFLJ-HNNXBMFYSA-N 1 2 365.430 1.483 20 5 FDBDLO O=C(NCc1nc2cccnc2[nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190253610 537158373 /nfs/dbraw/zinc/15/83/73/537158373.db2.gz FWVJHRZDBGVCOP-UHFFFAOYSA-N 1 2 363.337 1.982 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000248475645 537186771 /nfs/dbraw/zinc/18/67/71/537186771.db2.gz XWJDNRCJVWHHIF-BBRMVZONSA-N 1 2 354.428 1.869 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000248475645 537186773 /nfs/dbraw/zinc/18/67/73/537186773.db2.gz XWJDNRCJVWHHIF-BBRMVZONSA-N 1 2 354.428 1.869 20 5 FDBDLO Cc1nn(C)c(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000194088709 537258751 /nfs/dbraw/zinc/25/87/51/537258751.db2.gz GRFTYENVKUOURH-UHFFFAOYSA-N 1 2 368.397 1.854 20 5 FDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272360165 537270060 /nfs/dbraw/zinc/27/00/60/537270060.db2.gz RZXBZQFTBAMHDH-UHFFFAOYSA-N 1 2 365.386 1.506 20 5 FDBDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278279574 537291293 /nfs/dbraw/zinc/29/12/93/537291293.db2.gz SVQKVJULFGXGHF-CYBMUJFWSA-N 1 2 372.403 1.407 20 5 FDBDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278279574 537291295 /nfs/dbraw/zinc/29/12/95/537291295.db2.gz SVQKVJULFGXGHF-CYBMUJFWSA-N 1 2 372.403 1.407 20 5 FDBDLO Cn1cc([C@H](O)C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272513825 537293170 /nfs/dbraw/zinc/29/31/70/537293170.db2.gz JPZDWXJZLMUBQT-HZPDHXFCSA-N 1 2 356.386 1.474 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000290339333 537326589 /nfs/dbraw/zinc/32/65/89/537326589.db2.gz IBERLPPUKNYHNP-IUODEOHRSA-N 1 2 364.402 1.930 20 5 FDBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293089110 537334841 /nfs/dbraw/zinc/33/48/41/537334841.db2.gz MZCXORBVAJPSLY-SNVBAGLBSA-N 1 2 367.349 1.737 20 5 FDBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293089110 537334847 /nfs/dbraw/zinc/33/48/47/537334847.db2.gz MZCXORBVAJPSLY-SNVBAGLBSA-N 1 2 367.349 1.737 20 5 FDBDLO CCOc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000194905550 537347078 /nfs/dbraw/zinc/34/70/78/537347078.db2.gz QTXCOEHDBZYKNA-UHFFFAOYSA-N 1 2 351.403 1.834 20 5 FDBDLO CCOc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000194905550 537347091 /nfs/dbraw/zinc/34/70/91/537347091.db2.gz QTXCOEHDBZYKNA-UHFFFAOYSA-N 1 2 351.403 1.834 20 5 FDBDLO CN(C)c1cc(F)c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000283097701 537353595 /nfs/dbraw/zinc/35/35/95/537353595.db2.gz WUHBGCPFAFFTAV-UHFFFAOYSA-N 1 2 368.409 1.641 20 5 FDBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000272881675 537355158 /nfs/dbraw/zinc/35/51/58/537355158.db2.gz HCYLBWQOVVIGGS-NSHDSACASA-N 1 2 363.399 1.328 20 5 FDBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283174252 537356671 /nfs/dbraw/zinc/35/66/71/537356671.db2.gz KUGIGXACIGEHPE-MFKMUULPSA-N 1 2 367.427 1.211 20 5 FDBDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 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FJCNXOWFEAMPSQ-CQSZACIVSA-N 1 2 363.414 1.447 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000580056433 550938552 /nfs/dbraw/zinc/93/85/52/550938552.db2.gz FJCNXOWFEAMPSQ-CQSZACIVSA-N 1 2 363.414 1.447 20 5 FDBDLO O=C(Nc1c[nH+]ccc1-n1ccnn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000580798814 551019767 /nfs/dbraw/zinc/01/97/67/551019767.db2.gz OYOJWEFXWGQAGG-UHFFFAOYSA-N 1 2 354.282 1.552 20 5 FDBDLO O=[N+]([O-])c1cc2c(nc1Nc1ccn(CC[NH+]3CCOCC3)n1)CCCC2 ZINC000583259766 551326585 /nfs/dbraw/zinc/32/65/85/551326585.db2.gz OHYIIYSDKAFLHM-UHFFFAOYSA-N 1 2 372.429 2.141 20 5 FDBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000583799063 551403649 /nfs/dbraw/zinc/40/36/49/551403649.db2.gz INWXHLFHGAAPKX-UHFFFAOYSA-N 1 2 353.398 1.509 20 5 FDBDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000583799063 551403651 /nfs/dbraw/zinc/40/36/51/551403651.db2.gz INWXHLFHGAAPKX-UHFFFAOYSA-N 1 2 353.398 1.509 20 5 FDBDLO Cc1c(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000584147938 551454124 /nfs/dbraw/zinc/45/41/24/551454124.db2.gz WWOKSWAFXYFCIT-MRXNPFEDSA-N 1 2 362.430 1.909 20 5 FDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000584317594 551479486 /nfs/dbraw/zinc/47/94/86/551479486.db2.gz XGLANZKRHIBIKI-GWGNUCMJSA-N 1 2 367.427 1.734 20 5 FDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000584317594 551479489 /nfs/dbraw/zinc/47/94/89/551479489.db2.gz XGLANZKRHIBIKI-GWGNUCMJSA-N 1 2 367.427 1.734 20 5 FDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000587036355 551629866 /nfs/dbraw/zinc/62/98/66/551629866.db2.gz WVXRPGWJOFSWBZ-WCQYABFASA-N 1 2 373.369 1.120 20 5 FDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000587044904 551629892 /nfs/dbraw/zinc/62/98/92/551629892.db2.gz CFGFATZRQWNKQF-GFCCVEGCSA-N 1 2 353.342 1.117 20 5 FDBDLO Nc1c(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)cccc1[N+](=O)[O-] ZINC000588842856 551692132 /nfs/dbraw/zinc/69/21/32/551692132.db2.gz FWZABVVTVVOHDF-LLVKDONJSA-N 1 2 360.374 1.202 20 5 FDBDLO Nc1c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)cccc1[N+](=O)[O-] ZINC000588842856 551692133 /nfs/dbraw/zinc/69/21/33/551692133.db2.gz FWZABVVTVVOHDF-LLVKDONJSA-N 1 2 360.374 1.202 20 5 FDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000588842978 551692295 /nfs/dbraw/zinc/69/22/95/551692295.db2.gz IHQVOENUUBETJC-OAHLLOKOSA-N 1 2 373.413 1.939 20 5 FDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000588842978 551692297 /nfs/dbraw/zinc/69/22/97/551692297.db2.gz IHQVOENUUBETJC-OAHLLOKOSA-N 1 2 373.413 1.939 20 5 FDBDLO O=C(NCCCc1cc(=O)[nH][nH]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588876142 551696152 /nfs/dbraw/zinc/69/61/52/551696152.db2.gz WOTLDWDHACOOPS-UHFFFAOYSA-N 1 2 356.342 1.166 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3noc(C(F)F)n3)CCC2)c1 ZINC000590007459 551756653 /nfs/dbraw/zinc/75/66/53/551756653.db2.gz UNLLDOMBGWSJJM-SECBINFHSA-N 1 2 358.305 1.142 20 5 FDBDLO COc1cc[nH+]cc1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000590075603 551759344 /nfs/dbraw/zinc/75/93/44/551759344.db2.gz XXKSNSFVURYSES-UHFFFAOYSA-N 1 2 372.337 1.040 20 5 FDBDLO Cc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000590590523 551795813 /nfs/dbraw/zinc/79/58/13/551795813.db2.gz ZAFRHZWLMMCFSJ-UHFFFAOYSA-N 1 2 361.395 1.043 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000593082770 552059394 /nfs/dbraw/zinc/05/93/94/552059394.db2.gz HPNUWMMUPHOZAS-GFCCVEGCSA-N 1 2 351.403 1.882 20 5 FDBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000593457354 552111423 /nfs/dbraw/zinc/11/14/23/552111423.db2.gz LKCUYTPBKXVLFL-MRXNPFEDSA-N 1 2 364.421 1.515 20 5 FDBDLO CCc1ccc(C(=O)N2CC[NH+](CCOCCOC)CC2)cc1[N+](=O)[O-] ZINC000593887109 552217888 /nfs/dbraw/zinc/21/78/88/552217888.db2.gz OCBJDNDICZRCAY-UHFFFAOYSA-N 1 2 365.430 1.578 20 5 FDBDLO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098050 552248809 /nfs/dbraw/zinc/24/88/09/552248809.db2.gz DANDZIDBBLLKFZ-UTUOFQBUSA-N 1 2 365.386 1.551 20 5 FDBDLO C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594098050 552248810 /nfs/dbraw/zinc/24/88/10/552248810.db2.gz DANDZIDBBLLKFZ-UTUOFQBUSA-N 1 2 365.386 1.551 20 5 FDBDLO CNc1c(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594404136 552304212 /nfs/dbraw/zinc/30/42/12/552304212.db2.gz SKFYLMBYKUOEOW-RWMBFGLXSA-N 1 2 350.419 1.864 20 5 FDBDLO CNc1c(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594404136 552304213 /nfs/dbraw/zinc/30/42/13/552304213.db2.gz SKFYLMBYKUOEOW-RWMBFGLXSA-N 1 2 350.419 1.864 20 5 FDBDLO Cc1ccc([C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000594752065 552370507 /nfs/dbraw/zinc/37/05/07/552370507.db2.gz INXITUPHAIRUPF-OAHLLOKOSA-N 1 2 364.427 1.879 20 5 FDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000594778664 552381493 /nfs/dbraw/zinc/38/14/93/552381493.db2.gz SAGJYHBWGCPNAW-LBPRGKRZSA-N 1 2 364.427 1.858 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000594778664 552381495 /nfs/dbraw/zinc/38/14/95/552381495.db2.gz SAGJYHBWGCPNAW-LBPRGKRZSA-N 1 2 364.427 1.858 20 5 FDBDLO C[C@@H]1C[N@H+](CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000594816124 552395947 /nfs/dbraw/zinc/39/59/47/552395947.db2.gz FERZCBORPZSZGO-ZIAGYGMSSA-N 1 2 371.459 1.166 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000594816124 552395948 /nfs/dbraw/zinc/39/59/48/552395948.db2.gz FERZCBORPZSZGO-ZIAGYGMSSA-N 1 2 371.459 1.166 20 5 FDBDLO C[C@@H]1C[N@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000594817389 552396353 /nfs/dbraw/zinc/39/63/53/552396353.db2.gz QNUOAUDEUZRGCJ-CHWSQXEVSA-N 1 2 357.432 1.123 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000594817389 552396357 /nfs/dbraw/zinc/39/63/57/552396357.db2.gz QNUOAUDEUZRGCJ-CHWSQXEVSA-N 1 2 357.432 1.123 20 5 FDBDLO Cc1noc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000595289126 552513067 /nfs/dbraw/zinc/51/30/67/552513067.db2.gz MIUFRXLGBNDIRV-ZDUSSCGKSA-N 1 2 365.434 1.410 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000595375984 552540947 /nfs/dbraw/zinc/54/09/47/552540947.db2.gz GIIGZKPVSSRUEL-CQSZACIVSA-N 1 2 355.341 1.777 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595383911 552543949 /nfs/dbraw/zinc/54/39/49/552543949.db2.gz QMYWFIUKCLKFKZ-SECBINFHSA-N 1 2 368.371 1.154 20 5 FDBDLO Cc1noc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595474385 552568980 /nfs/dbraw/zinc/56/89/80/552568980.db2.gz DZNBQOMLGZAZDD-UHFFFAOYSA-N 1 2 358.420 1.281 20 5 FDBDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595489857 552571324 /nfs/dbraw/zinc/57/13/24/552571324.db2.gz JNLRYRKCLLULHY-UHFFFAOYSA-N 1 2 360.411 1.048 20 5 FDBDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595489857 552571326 /nfs/dbraw/zinc/57/13/26/552571326.db2.gz JNLRYRKCLLULHY-UHFFFAOYSA-N 1 2 360.411 1.048 20 5 FDBDLO Cc1noc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1[N+](=O)[O-] ZINC000595499145 552572924 /nfs/dbraw/zinc/57/29/24/552572924.db2.gz VJACGKWTBWZQPM-NSHDSACASA-N 1 2 358.420 1.185 20 5 FDBDLO Cc1noc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1[N+](=O)[O-] ZINC000595499145 552572925 /nfs/dbraw/zinc/57/29/25/552572925.db2.gz VJACGKWTBWZQPM-NSHDSACASA-N 1 2 358.420 1.185 20 5 FDBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595500421 552573223 /nfs/dbraw/zinc/57/32/23/552573223.db2.gz JGOQGGDHPGJNGT-HNNXBMFYSA-N 1 2 364.402 1.090 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)C[C@H]1COCCO1 ZINC000595743934 552610000 /nfs/dbraw/zinc/61/00/00/552610000.db2.gz SVKNGCMUYLJPFD-JQWIXIFHSA-N 1 2 357.794 1.922 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C[C@H]1COCCO1 ZINC000595743934 552609998 /nfs/dbraw/zinc/60/99/98/552609998.db2.gz SVKNGCMUYLJPFD-JQWIXIFHSA-N 1 2 357.794 1.922 20 5 FDBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(N)c([N+](=O)[O-])n2)cc1 ZINC000596064131 552651546 /nfs/dbraw/zinc/65/15/46/552651546.db2.gz SSDZRITVPUIYJO-MRXNPFEDSA-N 1 2 357.414 2.366 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000596159142 552660916 /nfs/dbraw/zinc/66/09/16/552660916.db2.gz LYTZUFBBJXHWGR-NSHDSACASA-N 1 2 374.235 1.487 20 5 FDBDLO CNc1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)cccc1[N+](=O)[O-] ZINC000597641305 552816517 /nfs/dbraw/zinc/81/65/17/552816517.db2.gz QPJWEMZGSOGMOU-LBPRGKRZSA-N 1 2 374.401 1.662 20 5 FDBDLO CNc1c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)cccc1[N+](=O)[O-] ZINC000597641305 552816519 /nfs/dbraw/zinc/81/65/19/552816519.db2.gz QPJWEMZGSOGMOU-LBPRGKRZSA-N 1 2 374.401 1.662 20 5 FDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597707350 552824574 /nfs/dbraw/zinc/82/45/74/552824574.db2.gz OQTKKLFHYYQJTB-CQSZACIVSA-N 1 2 363.414 1.930 20 5 FDBDLO CCOc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597709853 552824908 /nfs/dbraw/zinc/82/49/08/552824908.db2.gz MYKXWOCKTAMVRK-OAHLLOKOSA-N 1 2 363.414 1.930 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000597845480 552839744 /nfs/dbraw/zinc/83/97/44/552839744.db2.gz HTZDYBMKLDSEPT-HNNXBMFYSA-N 1 2 362.386 1.583 20 5 FDBDLO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000597847207 552840147 /nfs/dbraw/zinc/84/01/47/552840147.db2.gz OREDNVFWWKIHRU-CQSZACIVSA-N 1 2 362.386 1.827 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)CO ZINC000597849018 552840303 /nfs/dbraw/zinc/84/03/03/552840303.db2.gz YPTDSKXUPYVEPW-ZDUSSCGKSA-N 1 2 350.350 1.957 20 5 FDBDLO CCc1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1[N+](=O)[O-] ZINC000597848130 552840389 /nfs/dbraw/zinc/84/03/89/552840389.db2.gz UJZDMJGXDWUPGE-GFCCVEGCSA-N 1 2 350.379 1.103 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000597860611 552841810 /nfs/dbraw/zinc/84/18/10/552841810.db2.gz AKSOXJKGIZGYNZ-MRXNPFEDSA-N 1 2 371.397 1.890 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000597860611 552841811 /nfs/dbraw/zinc/84/18/11/552841811.db2.gz AKSOXJKGIZGYNZ-MRXNPFEDSA-N 1 2 371.397 1.890 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)CO1 ZINC000597996314 552854686 /nfs/dbraw/zinc/85/46/86/552854686.db2.gz INRJIBOTBUNRFY-VXGBXAGGSA-N 1 2 365.386 1.205 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)CO1 ZINC000597996314 552854688 /nfs/dbraw/zinc/85/46/88/552854688.db2.gz INRJIBOTBUNRFY-VXGBXAGGSA-N 1 2 365.386 1.205 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597999205 552855474 /nfs/dbraw/zinc/85/54/74/552855474.db2.gz REZCWZNYURJBCU-MNOVXSKESA-N 1 2 351.359 1.163 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597999205 552855476 /nfs/dbraw/zinc/85/54/76/552855476.db2.gz REZCWZNYURJBCU-MNOVXSKESA-N 1 2 351.359 1.163 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1[nH+]ccn1C ZINC000598466096 552899630 /nfs/dbraw/zinc/89/96/30/552899630.db2.gz WZXYHAIYDDPBBG-GFCCVEGCSA-N 1 2 359.386 1.656 20 5 FDBDLO CC(C)Cn1cc[nH+]c1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598599913 552913651 /nfs/dbraw/zinc/91/36/51/552913651.db2.gz SBAIMHPSKYGFQA-UHFFFAOYSA-N 1 2 361.406 1.686 20 5 FDBDLO O=C(NC1CC1)C(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599026323 552959464 /nfs/dbraw/zinc/95/94/64/552959464.db2.gz ULMJVGXFDXUJMK-UHFFFAOYSA-N 1 2 369.381 1.070 20 5 FDBDLO CS(=O)(=O)c1ccc(N2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599103715 552968110 /nfs/dbraw/zinc/96/81/10/552968110.db2.gz JWMZGLHXIBYCDV-UHFFFAOYSA-N 1 2 369.443 1.299 20 5 FDBDLO COc1cccc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000599130400 552971756 /nfs/dbraw/zinc/97/17/56/552971756.db2.gz HHXAPQNJYSUSJL-QGZVFWFLSA-N 1 2 351.403 1.631 20 5 FDBDLO COc1cccc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000599130400 552971758 /nfs/dbraw/zinc/97/17/58/552971758.db2.gz HHXAPQNJYSUSJL-QGZVFWFLSA-N 1 2 351.403 1.631 20 5 FDBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3C[N@H+](Cc4ccncc4)CCO3)nc2c1 ZINC000599184971 552980412 /nfs/dbraw/zinc/98/04/12/552980412.db2.gz OCTLGDFPXFNSBP-HNNXBMFYSA-N 1 2 368.397 1.601 20 5 FDBDLO O=[N+]([O-])c1ccc2[nH]c(NC[C@H]3C[N@@H+](Cc4ccncc4)CCO3)nc2c1 ZINC000599184971 552980414 /nfs/dbraw/zinc/98/04/14/552980414.db2.gz OCTLGDFPXFNSBP-HNNXBMFYSA-N 1 2 368.397 1.601 20 5 FDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599195276 552982708 /nfs/dbraw/zinc/98/27/08/552982708.db2.gz UPCYEHMMHAFTTG-NVXWUHKLSA-N 1 2 362.430 1.814 20 5 FDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599195276 552982709 /nfs/dbraw/zinc/98/27/09/552982709.db2.gz UPCYEHMMHAFTTG-NVXWUHKLSA-N 1 2 362.430 1.814 20 5 FDBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599683895 553120688 /nfs/dbraw/zinc/12/06/88/553120688.db2.gz XCQXNLQCSCNKOL-UHFFFAOYSA-N 1 2 361.358 1.133 20 5 FDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000599683895 553120690 /nfs/dbraw/zinc/12/06/90/553120690.db2.gz XCQXNLQCSCNKOL-UHFFFAOYSA-N 1 2 361.358 1.133 20 5 FDBDLO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600194077 553229298 /nfs/dbraw/zinc/22/92/98/553229298.db2.gz SLDRQBOMYHRPRR-INIZCTEOSA-N 1 2 374.397 1.985 20 5 FDBDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000600194077 553229299 /nfs/dbraw/zinc/22/92/99/553229299.db2.gz SLDRQBOMYHRPRR-INIZCTEOSA-N 1 2 374.397 1.985 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000600542233 553282791 /nfs/dbraw/zinc/28/27/91/553282791.db2.gz ZTTLTFYZTWMGOZ-XIKOKIGWSA-N 1 2 372.381 1.558 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000600542232 553282854 /nfs/dbraw/zinc/28/28/54/553282854.db2.gz ZTTLTFYZTWMGOZ-SGTLLEGYSA-N 1 2 372.381 1.558 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000600684454 553299783 /nfs/dbraw/zinc/29/97/83/553299783.db2.gz TYAZUISDLFHBTC-OAHLLOKOSA-N 1 2 356.382 1.621 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000600684454 553299785 /nfs/dbraw/zinc/29/97/85/553299785.db2.gz TYAZUISDLFHBTC-OAHLLOKOSA-N 1 2 356.382 1.621 20 5 FDBDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000600685652 553300412 /nfs/dbraw/zinc/30/04/12/553300412.db2.gz WCYQSWMTAUAJEA-QGZVFWFLSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000600685652 553300413 /nfs/dbraw/zinc/30/04/13/553300413.db2.gz WCYQSWMTAUAJEA-QGZVFWFLSA-N 1 2 370.409 1.929 20 5 FDBDLO CN1CCCC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1=O ZINC000601970677 553497640 /nfs/dbraw/zinc/49/76/40/553497640.db2.gz ONCDCYUPKYKTLT-INIZCTEOSA-N 1 2 360.414 1.427 20 5 FDBDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1=O ZINC000601970677 553497641 /nfs/dbraw/zinc/49/76/41/553497641.db2.gz ONCDCYUPKYKTLT-INIZCTEOSA-N 1 2 360.414 1.427 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602199084 553538089 /nfs/dbraw/zinc/53/80/89/553538089.db2.gz MPFLOZIPXZRXQD-UHFFFAOYSA-N 1 2 370.409 1.999 20 5 FDBDLO COc1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000602198382 553538208 /nfs/dbraw/zinc/53/82/08/553538208.db2.gz KPRMWVICVMYFCZ-UHFFFAOYSA-N 1 2 370.409 1.999 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCC[C@H]3CCO3)CC2)c1 ZINC000602434249 553580502 /nfs/dbraw/zinc/58/05/02/553580502.db2.gz OLZOGYZSYMHICP-HNNXBMFYSA-N 1 2 369.443 1.470 20 5 FDBDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602432417 553580742 /nfs/dbraw/zinc/58/07/42/553580742.db2.gz KYERUNIPNOREBK-UHFFFAOYSA-N 1 2 374.363 1.819 20 5 FDBDLO Cn1cc(C[N@@H+]2CCn3c(Cc4ccccc4F)nnc3C2)c([N+](=O)[O-])n1 ZINC000602700892 553625100 /nfs/dbraw/zinc/62/51/00/553625100.db2.gz XBMAPPSGEJUDEX-UHFFFAOYSA-N 1 2 371.376 1.666 20 5 FDBDLO Cn1cc(C[N@H+]2CCn3c(Cc4ccccc4F)nnc3C2)c([N+](=O)[O-])n1 ZINC000602700892 553625104 /nfs/dbraw/zinc/62/51/04/553625104.db2.gz XBMAPPSGEJUDEX-UHFFFAOYSA-N 1 2 371.376 1.666 20 5 FDBDLO COc1cc(C[NH+]2CCN(c3nnc(C)n3C)CC2)c([N+](=O)[O-])cc1F ZINC000602942965 553675949 /nfs/dbraw/zinc/67/59/49/553675949.db2.gz NYDOEFPLSSXPSY-UHFFFAOYSA-N 1 2 364.381 1.502 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000603006961 553692632 /nfs/dbraw/zinc/69/26/32/553692632.db2.gz SPGUJKHGMJVVCI-UHFFFAOYSA-N 1 2 358.398 1.280 20 5 FDBDLO O=[N+]([O-])c1cc(Br)ccc1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603239805 553740163 /nfs/dbraw/zinc/74/01/63/553740163.db2.gz KNAHMXLFDRMWRP-LBPRGKRZSA-N 1 2 368.191 1.658 20 5 FDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1(C)C ZINC000603374674 553774648 /nfs/dbraw/zinc/77/46/48/553774648.db2.gz LOUABZXSHROWRF-UHFFFAOYSA-N 1 2 364.427 1.858 20 5 FDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1(C)C ZINC000603374674 553774649 /nfs/dbraw/zinc/77/46/49/553774649.db2.gz LOUABZXSHROWRF-UHFFFAOYSA-N 1 2 364.427 1.858 20 5 FDBDLO CC(C)(C(=O)N1CC[NH+](Cc2cccs2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000608810785 554321616 /nfs/dbraw/zinc/32/16/16/554321616.db2.gz QRZQHSABYVBGFP-UHFFFAOYSA-N 1 2 363.443 1.932 20 5 FDBDLO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000609190812 554347630 /nfs/dbraw/zinc/34/76/30/554347630.db2.gz GEYATHDULDVCEA-KGLIPLIRSA-N 1 2 373.413 1.620 20 5 FDBDLO CCCc1n[nH]c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000609477134 554380793 /nfs/dbraw/zinc/38/07/93/554380793.db2.gz VDJQSFHPRHCNLQ-UHFFFAOYSA-N 1 2 360.296 1.959 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000610499251 554519062 /nfs/dbraw/zinc/51/90/62/554519062.db2.gz PNIAGLBGAXBFFU-OLZOCXBDSA-N 1 2 355.354 1.274 20 5 FDBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000611202951 554614824 /nfs/dbraw/zinc/61/48/24/554614824.db2.gz QRNMEJOMLYUBOY-UHFFFAOYSA-N 1 2 364.446 1.982 20 5 FDBDLO CN(C)c1cc[nH+]c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000612345758 554765317 /nfs/dbraw/zinc/76/53/17/554765317.db2.gz KAQMWBNIJXOLKI-UHFFFAOYSA-N 1 2 369.337 1.291 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612674352 554822993 /nfs/dbraw/zinc/82/29/93/554822993.db2.gz AWLZYMCJHRCMOW-AWEZNQCLSA-N 1 2 350.400 1.958 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CO)(OC)CC2)c([N+](=O)[O-])c1 ZINC000618551354 555648707 /nfs/dbraw/zinc/64/87/07/555648707.db2.gz XLXBRXWEYLRFKF-LBPRGKRZSA-N 1 2 367.402 1.404 20 5 FDBDLO C[C@@H]1C[C@@H]1N1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1=O ZINC000619153995 555731429 /nfs/dbraw/zinc/73/14/29/555731429.db2.gz CSTCDBREKIZQKZ-XUWXXGDYSA-N 1 2 374.441 1.848 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619481769 555784619 /nfs/dbraw/zinc/78/46/19/555784619.db2.gz FZTYFRUZXZCPRT-GFCCVEGCSA-N 1 2 366.399 1.826 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000619490225 555787388 /nfs/dbraw/zinc/78/73/88/555787388.db2.gz ITUVXXPSCYNBBD-NSHDSACASA-N 1 2 366.399 1.895 20 5 FDBDLO Cc1cc(NCCCn2cc(CO)nn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000291135256 568063302 /nfs/dbraw/zinc/06/33/02/568063302.db2.gz NMEHKMDYQLAUQW-UHFFFAOYSA-N 1 2 369.385 1.946 20 5 FDBDLO CCOc1cc(N2CC[NH+](CC(=O)N(C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000481758003 568115266 /nfs/dbraw/zinc/11/52/66/568115266.db2.gz BBKCVZIPUWLRFJ-UHFFFAOYSA-N 1 2 364.446 1.982 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000272853126 674481457 /nfs/dbraw/zinc/48/14/57/674481457.db2.gz QPWDLCQOBYFNBF-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000272853126 674481458 /nfs/dbraw/zinc/48/14/58/674481458.db2.gz QPWDLCQOBYFNBF-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)cc1-c1nn[nH]n1 ZINC000826498831 607451028 /nfs/dbraw/zinc/45/10/28/607451028.db2.gz LKTIWXRIHCAOLX-UHFFFAOYSA-N 1 2 366.385 1.492 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cn1 ZINC000826499142 608529327 /nfs/dbraw/zinc/52/93/27/608529327.db2.gz XFSAKIIIIAORNW-UHFFFAOYSA-N 1 2 372.414 1.554 20 5 FDBDLO CCOC(=O)[C@@H](C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276369762 674727862 /nfs/dbraw/zinc/72/78/62/674727862.db2.gz NFCOFPWKNHQVGR-OCCSQVGLSA-N 1 2 352.387 1.751 20 5 FDBDLO CCOC(=O)[C@@H](C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276369762 674727866 /nfs/dbraw/zinc/72/78/66/674727866.db2.gz NFCOFPWKNHQVGR-OCCSQVGLSA-N 1 2 352.387 1.751 20 5 FDBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289081291 676091127 /nfs/dbraw/zinc/09/11/27/676091127.db2.gz AYNDNNRJWRZQMZ-SBJJXXPASA-N 1 2 353.444 1.964 20 5 FDBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000289081291 676091128 /nfs/dbraw/zinc/09/11/28/676091128.db2.gz AYNDNNRJWRZQMZ-SBJJXXPASA-N 1 2 353.444 1.964 20 5 FDBDLO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281194047 675499641 /nfs/dbraw/zinc/49/96/41/675499641.db2.gz RPFOTUVMKNLGNR-HNNXBMFYSA-N 1 2 354.794 1.645 20 5 FDBDLO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281194047 675499643 /nfs/dbraw/zinc/49/96/43/675499643.db2.gz RPFOTUVMKNLGNR-HNNXBMFYSA-N 1 2 354.794 1.645 20 5 FDBDLO 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364.793 1.980 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000544842894 541840963 /nfs/dbraw/zinc/84/09/63/541840963.db2.gz IFUHHLVZWLPUAE-JKSUJKDBSA-N 1 2 369.443 1.517 20 5 FDBDLO COC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282433561 182010297 /nfs/dbraw/zinc/01/02/97/182010297.db2.gz KJEMNDXFQKJTGV-BXUZGUMPSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282433561 182010298 /nfs/dbraw/zinc/01/02/98/182010298.db2.gz KJEMNDXFQKJTGV-BXUZGUMPSA-N 1 2 351.359 1.186 20 5 FDBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000282845021 182064336 /nfs/dbraw/zinc/06/43/36/182064336.db2.gz CYSQKORHOITQKL-CYBMUJFWSA-N 1 2 350.331 1.472 20 5 FDBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000282845021 182064338 /nfs/dbraw/zinc/06/43/38/182064338.db2.gz CYSQKORHOITQKL-CYBMUJFWSA-N 1 2 350.331 1.472 20 5 FDBDLO 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Cc1cccn2cc(Cc3noc(CCn4cc([N+](=O)[O-])cn4)n3)[nH+]c12 ZINC000547096467 542276778 /nfs/dbraw/zinc/27/67/78/542276778.db2.gz XXLZNNGDDKITPO-UHFFFAOYSA-N 1 2 353.342 1.964 20 5 FDBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000295252822 184050116 /nfs/dbraw/zinc/05/01/16/184050116.db2.gz FYWGGKZJQHVZMC-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295376685 184064644 /nfs/dbraw/zinc/06/46/44/184064644.db2.gz DKDNKHUAAIIWFK-OAHLLOKOSA-N 1 2 371.397 1.668 20 5 FDBDLO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000295709288 184097397 /nfs/dbraw/zinc/09/73/97/184097397.db2.gz UNANEMGOCFLHRK-UONOGXRCSA-N 1 2 368.393 1.814 20 5 FDBDLO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1ccccc1[N+](=O)[O-] ZINC000295709288 184097399 /nfs/dbraw/zinc/09/73/99/184097399.db2.gz UNANEMGOCFLHRK-UONOGXRCSA-N 1 2 368.393 1.814 20 5 FDBDLO 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ZINC000548509006 542686024 /nfs/dbraw/zinc/68/60/24/542686024.db2.gz TXOUNCKASXGAGH-UHFFFAOYSA-N 1 2 374.445 1.457 20 5 FDBDLO CCN1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548672568 542741986 /nfs/dbraw/zinc/74/19/86/542741986.db2.gz RSFMMXQJMIUXEA-OAHLLOKOSA-N 1 2 358.402 1.906 20 5 FDBDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000549182272 542848376 /nfs/dbraw/zinc/84/83/76/542848376.db2.gz FRIBAAAFGNRPFT-LBPRGKRZSA-N 1 2 371.397 1.812 20 5 FDBDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000550080941 543001411 /nfs/dbraw/zinc/00/14/11/543001411.db2.gz XVZUWKLWHASZGL-UHFFFAOYSA-N 1 2 368.353 1.416 20 5 FDBDLO Cc1ccc2[nH+]c(CNC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000551727169 543330587 /nfs/dbraw/zinc/33/05/87/543330587.db2.gz BSIBNXHBCFHXCA-UHFFFAOYSA-N 1 2 367.365 1.597 20 5 FDBDLO COC(=O)c1cc(C)nc(NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000553041661 543558623 /nfs/dbraw/zinc/55/86/23/543558623.db2.gz DTHULZIZNKGVTG-UHFFFAOYSA-N 1 2 373.291 2.456 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620594 172150414 /nfs/dbraw/zinc/15/04/14/172150414.db2.gz LJBNRIKQTWPBLC-LLVKDONJSA-N 1 2 357.370 1.074 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078620594 172150415 /nfs/dbraw/zinc/15/04/15/172150415.db2.gz LJBNRIKQTWPBLC-LLVKDONJSA-N 1 2 357.370 1.074 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104729624 172384410 /nfs/dbraw/zinc/38/44/10/172384410.db2.gz CETQVPAWTNTUEV-UHFFFAOYSA-N 1 2 360.414 1.929 20 5 FDBDLO C[C@H]([C@H](C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000105177044 172398409 /nfs/dbraw/zinc/39/84/09/172398409.db2.gz JFGFMRYHVUQWOO-UONOGXRCSA-N 1 2 350.419 1.546 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111231742 172543550 /nfs/dbraw/zinc/54/35/50/172543550.db2.gz XXTGVICAMVWOBC-DOMZBBRYSA-N 1 2 373.331 1.872 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111231742 172543552 /nfs/dbraw/zinc/54/35/52/172543552.db2.gz XXTGVICAMVWOBC-DOMZBBRYSA-N 1 2 373.331 1.872 20 5 FDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000125498531 173008387 /nfs/dbraw/zinc/00/83/87/173008387.db2.gz DQLMMTZYQQTGMO-JTQLQIEISA-N 1 2 363.823 1.166 20 5 FDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000125498531 173008389 /nfs/dbraw/zinc/00/83/89/173008389.db2.gz DQLMMTZYQQTGMO-JTQLQIEISA-N 1 2 363.823 1.166 20 5 FDBDLO Cc1cc(=O)n(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000128534077 173111903 /nfs/dbraw/zinc/11/19/03/173111903.db2.gz MLPQWAGEKQTGIB-UHFFFAOYSA-N 1 2 371.397 1.199 20 5 FDBDLO O=C(c1cccc(F)c1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131023669 173187527 /nfs/dbraw/zinc/18/75/27/173187527.db2.gz RDMUEQRYECDDIQ-UHFFFAOYSA-N 1 2 374.372 1.354 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000132832156 173244329 /nfs/dbraw/zinc/24/43/29/173244329.db2.gz SJRRPOFOBSAWCF-AWEZNQCLSA-N 1 2 362.430 1.990 20 5 FDBDLO COc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000150768444 173380476 /nfs/dbraw/zinc/38/04/76/173380476.db2.gz HYDQEUHNOVSPFM-ZDUSSCGKSA-N 1 2 369.399 1.778 20 5 FDBDLO O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176754086 174086267 /nfs/dbraw/zinc/08/62/67/174086267.db2.gz KPVCEIXYTBUIRI-LBPRGKRZSA-N 1 2 355.354 1.274 20 5 FDBDLO Cc1nn(C)c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000178247294 174179428 /nfs/dbraw/zinc/17/94/28/174179428.db2.gz DWUMTRGZWZLOSR-UHFFFAOYSA-N 1 2 361.377 1.734 20 5 FDBDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178467837 174189774 /nfs/dbraw/zinc/18/97/74/174189774.db2.gz WJTQHYLPMMAQNY-CQSZACIVSA-N 1 2 355.398 1.703 20 5 FDBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181087301 174206706 /nfs/dbraw/zinc/20/67/06/174206706.db2.gz AFORRACMVVWUMJ-UHFFFAOYSA-N 1 2 372.429 1.485 20 5 FDBDLO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179486658 258352160 /nfs/dbraw/zinc/35/21/60/258352160.db2.gz WWKRHKZGCOBYIX-OAHLLOKOSA-N 1 2 362.430 1.543 20 5 FDBDLO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179486658 258352161 /nfs/dbraw/zinc/35/21/61/258352161.db2.gz WWKRHKZGCOBYIX-OAHLLOKOSA-N 1 2 362.430 1.543 20 5 FDBDLO C[NH+](C)[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000178930984 258339926 /nfs/dbraw/zinc/33/99/26/258339926.db2.gz SSPKZRFRJOPLDM-OAHLLOKOSA-N 1 2 367.427 1.953 20 5 FDBDLO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O ZINC000183786640 258380393 /nfs/dbraw/zinc/38/03/93/258380393.db2.gz OJSWLBYFZILLDM-MRXNPFEDSA-N 1 2 371.393 1.797 20 5 FDBDLO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1O ZINC000183786640 258380394 /nfs/dbraw/zinc/38/03/94/258380394.db2.gz OJSWLBYFZILLDM-MRXNPFEDSA-N 1 2 371.393 1.797 20 5 FDBDLO COc1cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000279243962 258541961 /nfs/dbraw/zinc/54/19/61/258541961.db2.gz GJGYRUGMMYJHPX-GFCCVEGCSA-N 1 2 351.403 1.705 20 5 FDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000280914939 258629732 /nfs/dbraw/zinc/62/97/32/258629732.db2.gz IVNISTJVJFFIOX-OLZOCXBDSA-N 1 2 351.403 1.833 20 5 FDBDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000553837014 543702724 /nfs/dbraw/zinc/70/27/24/543702724.db2.gz WPSMZKHWFHMCGH-UHFFFAOYSA-N 1 2 373.413 1.426 20 5 FDBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554188709 543757045 /nfs/dbraw/zinc/75/70/45/543757045.db2.gz SJOFOKUJFSLQFX-UHFFFAOYSA-N 1 2 370.837 1.363 20 5 FDBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000554188709 543757048 /nfs/dbraw/zinc/75/70/48/543757048.db2.gz SJOFOKUJFSLQFX-UHFFFAOYSA-N 1 2 370.837 1.363 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000554841114 543879534 /nfs/dbraw/zinc/87/95/34/543879534.db2.gz QYUAVEUYHPFMCO-ZDUSSCGKSA-N 1 2 370.413 2.094 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000554841114 543879536 /nfs/dbraw/zinc/87/95/36/543879536.db2.gz QYUAVEUYHPFMCO-ZDUSSCGKSA-N 1 2 370.413 2.094 20 5 FDBDLO NC(=O)c1cccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000557537713 544305061 /nfs/dbraw/zinc/30/50/61/544305061.db2.gz TVRQGABITQTHNO-MRXNPFEDSA-N 1 2 366.443 1.314 20 5 FDBDLO CC(C)[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000559044359 544577900 /nfs/dbraw/zinc/57/79/00/544577900.db2.gz DLGUNZAOLKMBBR-MRXNPFEDSA-N 1 2 373.369 1.557 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nn1 ZINC000559154554 544599748 /nfs/dbraw/zinc/59/97/48/544599748.db2.gz BCIQAKKHWVGUDQ-LBPRGKRZSA-N 1 2 361.358 1.516 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)nn1 ZINC000559154554 544599752 /nfs/dbraw/zinc/59/97/52/544599752.db2.gz BCIQAKKHWVGUDQ-LBPRGKRZSA-N 1 2 361.358 1.516 20 5 FDBDLO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@](C)(C(F)(F)F)O1 ZINC000559312817 544640506 /nfs/dbraw/zinc/64/05/06/544640506.db2.gz OCFPNDHDPUSQLW-YPMHNXCESA-N 1 2 366.340 1.584 20 5 FDBDLO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@](C)(C(F)(F)F)O1 ZINC000559312817 544640510 /nfs/dbraw/zinc/64/05/10/544640510.db2.gz OCFPNDHDPUSQLW-YPMHNXCESA-N 1 2 366.340 1.584 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000301798182 259033521 /nfs/dbraw/zinc/03/35/21/259033521.db2.gz QVJBERNFMMCVGJ-HNNXBMFYSA-N 1 2 362.430 1.273 20 5 FDBDLO Cc1cc(NCCNC(=O)c2ccn[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302033811 259038138 /nfs/dbraw/zinc/03/81/38/259038138.db2.gz OGWFDOCPUAQLJJ-UHFFFAOYSA-N 1 2 367.369 1.925 20 5 FDBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000330554440 259150092 /nfs/dbraw/zinc/15/00/92/259150092.db2.gz OUUGOIWZTNGTKR-NEPJUHHUSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000330554440 259150093 /nfs/dbraw/zinc/15/00/93/259150093.db2.gz OUUGOIWZTNGTKR-NEPJUHHUSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000330561188 259150562 /nfs/dbraw/zinc/15/05/62/259150562.db2.gz SPCVGFLVBPGKFD-NEPJUHHUSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000330561188 259150563 /nfs/dbraw/zinc/15/05/63/259150563.db2.gz SPCVGFLVBPGKFD-NEPJUHHUSA-N 1 2 357.432 1.707 20 5 FDBDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330590109 259152341 /nfs/dbraw/zinc/15/23/41/259152341.db2.gz XVQDSTFNALTKSS-ZDUSSCGKSA-N 1 2 357.432 1.594 20 5 FDBDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330590109 259152342 /nfs/dbraw/zinc/15/23/42/259152342.db2.gz XVQDSTFNALTKSS-ZDUSSCGKSA-N 1 2 357.432 1.594 20 5 FDBDLO Cc1cc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000330799087 259163014 /nfs/dbraw/zinc/16/30/14/259163014.db2.gz HWHPHXKWSURUFP-ZIAGYGMSSA-N 1 2 371.459 1.681 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000331263802 259183509 /nfs/dbraw/zinc/18/35/09/259183509.db2.gz ABTFKIMAHVGATM-ZDUSSCGKSA-N 1 2 371.459 1.369 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000331263802 259183510 /nfs/dbraw/zinc/18/35/10/259183510.db2.gz ABTFKIMAHVGATM-ZDUSSCGKSA-N 1 2 371.459 1.369 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331305736 259187073 /nfs/dbraw/zinc/18/70/73/259187073.db2.gz WXSMKKRONQVZMM-ZDUSSCGKSA-N 1 2 371.459 1.369 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331305736 259187074 /nfs/dbraw/zinc/18/70/74/259187074.db2.gz WXSMKKRONQVZMM-ZDUSSCGKSA-N 1 2 371.459 1.369 20 5 FDBDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000332395042 259263183 /nfs/dbraw/zinc/26/31/83/259263183.db2.gz OISDRCCDEJSYNF-UHFFFAOYSA-N 1 2 362.411 1.809 20 5 FDBDLO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000363468426 259600328 /nfs/dbraw/zinc/60/03/28/259600328.db2.gz RALRGAQBSYNHCJ-OAHLLOKOSA-N 1 2 360.414 1.671 20 5 FDBDLO NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000363468426 259600330 /nfs/dbraw/zinc/60/03/30/259600330.db2.gz RALRGAQBSYNHCJ-OAHLLOKOSA-N 1 2 360.414 1.671 20 5 FDBDLO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000367211060 260010571 /nfs/dbraw/zinc/01/05/71/260010571.db2.gz IXIQQIRSNUBNEG-AWEZNQCLSA-N 1 2 362.430 1.400 20 5 FDBDLO O=C1[C@@H]([N@@H+]2CCO[C@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367231892 260013158 /nfs/dbraw/zinc/01/31/58/260013158.db2.gz RGQOQRUBGPTYPY-FUHWJXTLSA-N 1 2 361.398 1.582 20 5 FDBDLO O=C1[C@@H]([N@H+]2CCO[C@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367231892 260013160 /nfs/dbraw/zinc/01/31/60/260013160.db2.gz RGQOQRUBGPTYPY-FUHWJXTLSA-N 1 2 361.398 1.582 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368645899 260213744 /nfs/dbraw/zinc/21/37/44/260213744.db2.gz VBMVTAPCEYRAKH-IVMMDQJWSA-N 1 2 363.414 1.920 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368645899 260213746 /nfs/dbraw/zinc/21/37/46/260213746.db2.gz VBMVTAPCEYRAKH-IVMMDQJWSA-N 1 2 363.414 1.920 20 5 FDBDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000368828431 260244260 /nfs/dbraw/zinc/24/42/60/260244260.db2.gz FVGZBBOSPNOSJC-UHFFFAOYSA-N 1 2 366.443 1.211 20 5 FDBDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000368828431 260244261 /nfs/dbraw/zinc/24/42/61/260244261.db2.gz FVGZBBOSPNOSJC-UHFFFAOYSA-N 1 2 366.443 1.211 20 5 FDBDLO NC(=O)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccoc3)CC2)c([N+](=O)[O-])c1 ZINC000369386363 260354233 /nfs/dbraw/zinc/35/42/33/260354233.db2.gz RUOBJFHBCQESLV-UHFFFAOYSA-N 1 2 372.381 1.635 20 5 FDBDLO NC(=O)c1ccc(C[N@H+]2CCCN(C(=O)c3ccoc3)CC2)c([N+](=O)[O-])c1 ZINC000369386363 260354235 /nfs/dbraw/zinc/35/42/35/260354235.db2.gz RUOBJFHBCQESLV-UHFFFAOYSA-N 1 2 372.381 1.635 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000373992463 261062286 /nfs/dbraw/zinc/06/22/86/261062286.db2.gz LYSBDVBQGSCSFX-LLVKDONJSA-N 1 2 358.354 1.616 20 5 FDBDLO CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000374777577 261194588 /nfs/dbraw/zinc/19/45/88/261194588.db2.gz NLNFXWLSVFVMOS-CQSZACIVSA-N 1 2 362.365 1.558 20 5 FDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000374823671 261205046 /nfs/dbraw/zinc/20/50/46/261205046.db2.gz LNLHZCOAHGKMCU-LSDHHAIUSA-N 1 2 366.393 1.689 20 5 FDBDLO COc1cc(OCC(=O)Nc2c[nH+]ccc2-n2ccnn2)ccc1[N+](=O)[O-] 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O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595744294 552610135 /nfs/dbraw/zinc/61/01/35/552610135.db2.gz VNVXETYVFQAILS-GXFFZTMASA-N 1 2 366.805 1.787 20 5 FDBDLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595744294 552610136 /nfs/dbraw/zinc/61/01/36/552610136.db2.gz VNVXETYVFQAILS-GXFFZTMASA-N 1 2 366.805 1.787 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595744296 552610290 /nfs/dbraw/zinc/61/02/90/552610290.db2.gz VNVXETYVFQAILS-ZWNOBZJWSA-N 1 2 366.805 1.787 20 5 FDBDLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595744296 552610291 /nfs/dbraw/zinc/61/02/91/552610291.db2.gz VNVXETYVFQAILS-ZWNOBZJWSA-N 1 2 366.805 1.787 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000596419561 552677328 /nfs/dbraw/zinc/67/73/28/552677328.db2.gz UMSLYHVGPBRWSO-KGLIPLIRSA-N 1 2 350.419 1.546 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000596419561 552677329 /nfs/dbraw/zinc/67/73/29/552677329.db2.gz UMSLYHVGPBRWSO-KGLIPLIRSA-N 1 2 350.419 1.546 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596843870 552716835 /nfs/dbraw/zinc/71/68/35/552716835.db2.gz LKBRGMGGEYFLCN-NEPJUHHUSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596843870 552716836 /nfs/dbraw/zinc/71/68/36/552716836.db2.gz LKBRGMGGEYFLCN-NEPJUHHUSA-N 1 2 352.391 1.834 20 5 FDBDLO CNc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)cc1[N+](=O)[O-] ZINC000597641308 552816483 /nfs/dbraw/zinc/81/64/83/552816483.db2.gz QTFZNSDNOXDVSZ-GFCCVEGCSA-N 1 2 374.401 1.662 20 5 FDBDLO CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)cc1[N+](=O)[O-] ZINC000597641308 552816485 /nfs/dbraw/zinc/81/64/85/552816485.db2.gz QTFZNSDNOXDVSZ-GFCCVEGCSA-N 1 2 374.401 1.662 20 5 FDBDLO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597877222 552843088 /nfs/dbraw/zinc/84/30/88/552843088.db2.gz DVBOXBDDBXZVEN-UHFFFAOYSA-N 1 2 363.414 1.921 20 5 FDBDLO CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCOC1 ZINC000597884344 552844031 /nfs/dbraw/zinc/84/40/31/552844031.db2.gz UCIKNOKKEIOWAP-XJKSGUPXSA-N 1 2 360.370 1.562 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)CO1 ZINC000597999296 552855250 /nfs/dbraw/zinc/85/52/50/552855250.db2.gz RYPQPZQAMOFJLP-CHWSQXEVSA-N 1 2 374.401 1.015 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C)CO1 ZINC000597999296 552855251 /nfs/dbraw/zinc/85/52/51/552855251.db2.gz RYPQPZQAMOFJLP-CHWSQXEVSA-N 1 2 374.401 1.015 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000597999299 552855260 /nfs/dbraw/zinc/85/52/60/552855260.db2.gz RYPQPZQAMOFJLP-OLZOCXBDSA-N 1 2 374.401 1.015 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000597999299 552855261 /nfs/dbraw/zinc/85/52/61/552855261.db2.gz RYPQPZQAMOFJLP-OLZOCXBDSA-N 1 2 374.401 1.015 20 5 FDBDLO COc1cc(OCC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000598000441 552855653 /nfs/dbraw/zinc/85/56/53/552855653.db2.gz UYTCQJMVYBCHJX-CHWSQXEVSA-N 1 2 367.402 1.208 20 5 FDBDLO COc1cc(OCC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000598000441 552855655 /nfs/dbraw/zinc/85/56/55/552855655.db2.gz UYTCQJMVYBCHJX-CHWSQXEVSA-N 1 2 367.402 1.208 20 5 FDBDLO O=C(CNc1ccccc1[N+](=O)[O-])N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343789 552887717 /nfs/dbraw/zinc/88/77/17/552887717.db2.gz XWBOXBURUUJMEB-UHFFFAOYSA-N 1 2 362.430 1.578 20 5 FDBDLO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000598938930 552949204 /nfs/dbraw/zinc/94/92/04/552949204.db2.gz IDVNRIRPPFZLMU-HNNXBMFYSA-N 1 2 366.381 1.699 20 5 FDBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598943040 552949387 /nfs/dbraw/zinc/94/93/87/552949387.db2.gz 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ZINC001105706873 855972687 /nfs/dbraw/zinc/97/26/87/855972687.db2.gz CDJAAEAVHNIVLV-IAGOWNOFSA-N 1 2 369.462 1.160 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000910261480 856990919 /nfs/dbraw/zinc/99/09/19/856990919.db2.gz VRXAKKOYAZIMTO-CQSZACIVSA-N 1 2 374.397 1.717 20 5 FDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000129991147 865195972 /nfs/dbraw/zinc/19/59/72/865195972.db2.gz JLOLJBXBCNQIJH-UHFFFAOYSA-N 1 2 371.313 1.315 20 5 FDBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000922168265 873343959 /nfs/dbraw/zinc/34/39/59/873343959.db2.gz NIXNHANRBCFFDM-HNNXBMFYSA-N 1 2 350.419 1.813 20 5 FDBDLO O=C(O[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000762109315 875200163 /nfs/dbraw/zinc/20/01/63/875200163.db2.gz FCGGXJJMVLENSG-CYBMUJFWSA-N 1 2 356.338 1.701 20 5 FDBDLO O=C(NCc1noc(C2CC2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000495580854 875888228 /nfs/dbraw/zinc/88/82/28/875888228.db2.gz PCYFXEOVGBFYSV-UHFFFAOYSA-N 1 2 354.326 1.971 20 5 FDBDLO Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000350032155 877930936 /nfs/dbraw/zinc/93/09/36/877930936.db2.gz GLFFKMNVRDDHSF-AWEZNQCLSA-N 1 2 370.369 1.952 20 5 FDBDLO Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000350032155 877930941 /nfs/dbraw/zinc/93/09/41/877930941.db2.gz GLFFKMNVRDDHSF-AWEZNQCLSA-N 1 2 370.369 1.952 20 5 FDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001005377957 883153937 /nfs/dbraw/zinc/15/39/37/883153937.db2.gz FRHFFUPRJFGRMO-HZPDHXFCSA-N 1 2 360.414 1.213 20 5 FDBDLO COCC(=O)NC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000917459090 883428697 /nfs/dbraw/zinc/42/86/97/883428697.db2.gz ARBYTVLLHDJSES-UHFFFAOYSA-N 1 2 374.401 1.038 20 5 FDBDLO O=C(N[C@H]1CC[C@H]([NH2+]Cc2nc(C(F)F)no2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643816 884605671 /nfs/dbraw/zinc/60/56/71/884605671.db2.gz TVOZNPMIXXQCLC-ZYUZMQFOSA-N 1 2 359.333 1.189 20 5 FDBDLO O=C(NCC1C[NH+](CCOc2ccccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660614 886971269 /nfs/dbraw/zinc/97/12/69/886971269.db2.gz MOHLXNWAAWDZSN-TZMCWYRMSA-N 1 2 353.806 1.432 20 5 FDBDLO O=C(NCC1C[NH+](Cc2cccc(Br)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663256 887006199 /nfs/dbraw/zinc/00/61/99/887006199.db2.gz VNYLGLNGNCMQAT-ZIAGYGMSSA-N 1 2 368.231 1.662 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000374551088 889955531 /nfs/dbraw/zinc/95/55/31/889955531.db2.gz KSYPVMGGLOUYJY-CYBMUJFWSA-N 1 2 370.413 2.094 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000374551088 889955537 /nfs/dbraw/zinc/95/55/37/889955537.db2.gz KSYPVMGGLOUYJY-CYBMUJFWSA-N 1 2 370.413 2.094 20 5 FDBDLO Cc1c[nH+]c2cc(C(=O)NCC3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CCC3)ccn12 ZINC001063140644 890232925 /nfs/dbraw/zinc/23/29/25/890232925.db2.gz KHDCPPJRXQWHOK-ZIAGYGMSSA-N 1 2 371.397 1.077 20 5 FDBDLO O=C(NC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786638 893948354 /nfs/dbraw/zinc/94/83/54/893948354.db2.gz DREJMBMVINHISR-HUUCEWRRSA-N 1 2 371.397 1.482 20 5 FDBDLO CCOCC[N@H+](CC)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000730802019 917300136 /nfs/dbraw/zinc/30/01/36/917300136.db2.gz DCJBUAXTDFFOEB-QGZVFWFLSA-N 1 2 364.402 1.678 20 5 FDBDLO CCOCC[N@@H+](CC)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000730802019 917300144 /nfs/dbraw/zinc/30/01/44/917300144.db2.gz DCJBUAXTDFFOEB-QGZVFWFLSA-N 1 2 364.402 1.678 20 5 FDBDLO CCNS(=O)(=O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733328628 920983116 /nfs/dbraw/zinc/98/31/16/920983116.db2.gz WVHCJBGKGQVILE-UHFFFAOYSA-N 1 2 370.456 1.747 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000745082833 927051490 /nfs/dbraw/zinc/05/14/90/927051490.db2.gz RDCVSYOHMUMFBY-SMDDNHRTSA-N 1 2 365.386 1.958 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000745082833 927051493 /nfs/dbraw/zinc/05/14/93/927051493.db2.gz RDCVSYOHMUMFBY-SMDDNHRTSA-N 1 2 365.386 1.958 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000786738388 932011217 /nfs/dbraw/zinc/01/12/17/932011217.db2.gz JMJPUOPDCHPMOH-CYBMUJFWSA-N 1 2 364.402 1.088 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000786738388 932011226 /nfs/dbraw/zinc/01/12/26/932011226.db2.gz JMJPUOPDCHPMOH-CYBMUJFWSA-N 1 2 364.402 1.088 20 5 FDBDLO COc1cccc(/C=C\CC[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001112835605 932560990 /nfs/dbraw/zinc/56/09/90/932560990.db2.gz GNNOITZWUJYADF-XKAVBEMJSA-N 1 2 359.426 1.908 20 5 FDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000804443994 938441772 /nfs/dbraw/zinc/44/17/72/938441772.db2.gz RZTAAJFENGTVIX-UHFFFAOYSA-N 1 2 362.346 1.775 20 5 FDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000807281001 940295849 /nfs/dbraw/zinc/29/58/49/940295849.db2.gz PUSUNFMEUKCQNP-GDBMZVCRSA-N 1 2 374.397 1.718 20 5 FDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1Cl ZINC000809841662 940905110 /nfs/dbraw/zinc/90/51/10/940905110.db2.gz RPPSYBSEAATVQH-UHFFFAOYSA-N 1 2 363.798 1.928 20 5 FDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1Cl ZINC000809841662 940905113 /nfs/dbraw/zinc/90/51/13/940905113.db2.gz RPPSYBSEAATVQH-UHFFFAOYSA-N 1 2 363.798 1.928 20 5 FDBDLO O=C1N(C[N@@H+]2CC[C@@H](n3cccn3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000812294204 941193610 /nfs/dbraw/zinc/19/36/10/941193610.db2.gz HOHRTJWJRNXJES-CQSZACIVSA-N 1 2 356.386 1.938 20 5 FDBDLO O=C1N(C[N@H+]2CC[C@@H](n3cccn3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000812294204 941193612 /nfs/dbraw/zinc/19/36/12/941193612.db2.gz HOHRTJWJRNXJES-CQSZACIVSA-N 1 2 356.386 1.938 20 5 FDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747824481 941279589 /nfs/dbraw/zinc/27/95/89/941279589.db2.gz BOADEYVRJFAMHL-CHWSQXEVSA-N 1 2 359.382 1.897 20 5 FDBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747824481 941279593 /nfs/dbraw/zinc/27/95/93/941279593.db2.gz BOADEYVRJFAMHL-CHWSQXEVSA-N 1 2 359.382 1.897 20 5 FDBDLO CS(=O)(=O)c1cccnc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819270537 943520728 /nfs/dbraw/zinc/52/07/28/943520728.db2.gz BXCDDAIXNNMRQA-AWEZNQCLSA-N 1 2 351.384 1.217 20 5 FDBDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825091334 946975795 /nfs/dbraw/zinc/97/57/95/946975795.db2.gz YVJYTQZWSYEDHI-KRWDZBQOSA-N 1 2 356.382 1.808 20 5 FDBDLO C[C@@H](CC(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)n1cc[nH+]c1 ZINC000845276877 948946341 /nfs/dbraw/zinc/94/63/41/948946341.db2.gz CYKVEQBSENCIQX-LBPRGKRZSA-N 1 2 358.354 1.875 20 5 FDBDLO NC(=O)[C@@H](F)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC001196960040 972010693 /nfs/dbraw/zinc/01/06/93/972010693.db2.gz CQRIWLPPQZGFPO-AWEZNQCLSA-N 1 2 363.349 1.680 20 5 FDBDLO COC(=O)C1(O)CC[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173193686 961959547 /nfs/dbraw/zinc/95/95/47/961959547.db2.gz VCUANBLKAAQLJE-LLVKDONJSA-N 1 2 370.377 1.673 20 5 FDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001177128434 963675113 /nfs/dbraw/zinc/67/51/13/963675113.db2.gz LYXCZOKDEYRPJE-HNNXBMFYSA-N 1 2 373.413 1.621 20 5 FDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001177128434 963675116 /nfs/dbraw/zinc/67/51/16/963675116.db2.gz LYXCZOKDEYRPJE-HNNXBMFYSA-N 1 2 373.413 1.621 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000852436137 967305621 /nfs/dbraw/zinc/30/56/21/967305621.db2.gz WCDMPMDMSITGQE-OLZOCXBDSA-N 1 2 362.386 1.757 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000852436137 967305632 /nfs/dbraw/zinc/30/56/32/967305632.db2.gz WCDMPMDMSITGQE-OLZOCXBDSA-N 1 2 362.386 1.757 20 5 FDBDLO COC(=O)NC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000852767937 967593221 /nfs/dbraw/zinc/59/32/21/967593221.db2.gz KYBDYKMYNHTNGM-UHFFFAOYSA-N 1 2 350.375 1.662 20 5 FDBDLO COC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852768652 967594704 /nfs/dbraw/zinc/59/47/04/967594704.db2.gz XUXNKQSDLGZNNL-NSHDSACASA-N 1 2 350.375 1.742 20 5 FDBDLO Cc1cn(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000853565259 968127351 /nfs/dbraw/zinc/12/73/51/968127351.db2.gz CBXVIDZEGZGMJV-RDTXWAMCSA-N 1 2 358.398 1.781 20 5 FDBDLO Cc1cn(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000853565259 968127358 /nfs/dbraw/zinc/12/73/58/968127358.db2.gz CBXVIDZEGZGMJV-RDTXWAMCSA-N 1 2 358.398 1.781 20 5 FDBDLO COC(=O)NC1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000853626346 968209013 /nfs/dbraw/zinc/20/90/13/968209013.db2.gz SBHLZWFMYXTZHY-UHFFFAOYSA-N 1 2 360.374 1.631 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855411414 970353360 /nfs/dbraw/zinc/35/33/60/970353360.db2.gz OLGKQECXNMUOSV-QWHCGFSZSA-N 1 2 365.386 1.012 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855411414 970353371 /nfs/dbraw/zinc/35/33/71/970353371.db2.gz OLGKQECXNMUOSV-QWHCGFSZSA-N 1 2 365.386 1.012 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)CO1 ZINC000855414016 970360214 /nfs/dbraw/zinc/36/02/14/970360214.db2.gz VESVUWKSCCPCEA-CHWSQXEVSA-N 1 2 361.402 1.170 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C)CO1 ZINC000855414016 970360227 /nfs/dbraw/zinc/36/02/27/970360227.db2.gz VESVUWKSCCPCEA-CHWSQXEVSA-N 1 2 361.402 1.170 20 5 FDBDLO Cc1cc[nH+]c(N2CCN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC2)c1 ZINC000794633287 973493538 /nfs/dbraw/zinc/49/35/38/973493538.db2.gz LWAXISIBBBQWMY-UHFFFAOYSA-N 1 2 369.381 1.986 20 5 FDBDLO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+]1CCOCC1 ZINC000105583583 974854177 /nfs/dbraw/zinc/85/41/77/974854177.db2.gz NSQYWUTVYBEKRL-KRWDZBQOSA-N 1 2 364.446 1.747 20 5 FDBDLO O=C1CCCN1[C@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485484 976820390 /nfs/dbraw/zinc/82/03/90/976820390.db2.gz OIAPUEJLSYKPMN-IRXDYDNUSA-N 1 2 372.425 1.565 20 5 FDBDLO O=C1CCCN1[C@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485484 976820397 /nfs/dbraw/zinc/82/03/97/976820397.db2.gz OIAPUEJLSYKPMN-IRXDYDNUSA-N 1 2 372.425 1.565 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000849389679 977498523 /nfs/dbraw/zinc/49/85/23/977498523.db2.gz BYEWDDPPTYMMNU-LLVKDONJSA-N 1 2 351.388 1.292 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000882055646 980395945 /nfs/dbraw/zinc/39/59/45/980395945.db2.gz RRTXXXDDBJABJH-UHFFFAOYSA-N 1 2 356.791 1.999 20 5 FDBDLO 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542429787 /nfs/dbraw/zinc/42/97/87/542429787.db2.gz KOWLBTIEJYFBDN-UHFFFAOYSA-N 1 2 356.386 1.887 20 5 FDBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000171588211 258266448 /nfs/dbraw/zinc/26/64/48/258266448.db2.gz HFRDMUIIIUIFDO-AWEZNQCLSA-N 1 2 373.413 1.705 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172294615 258272700 /nfs/dbraw/zinc/27/27/00/258272700.db2.gz NTJRZFZSXFHPCB-LBPRGKRZSA-N 1 2 357.794 1.660 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172294615 258272701 /nfs/dbraw/zinc/27/27/01/258272701.db2.gz NTJRZFZSXFHPCB-LBPRGKRZSA-N 1 2 357.794 1.660 20 5 FDBDLO CSCCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000172718821 258282818 /nfs/dbraw/zinc/28/28/18/258282818.db2.gz QFRNZPLFILFDIL-UHFFFAOYSA-N 1 2 373.500 1.963 20 5 FDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000024894180 132374026 /nfs/dbraw/zinc/37/40/26/132374026.db2.gz 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CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000331216554 259181691 /nfs/dbraw/zinc/18/16/91/259181691.db2.gz DXJFFGUIBFCXFB-HNNXBMFYSA-N 1 2 357.432 1.062 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000332268607 259253957 /nfs/dbraw/zinc/25/39/57/259253957.db2.gz UUSHRTKZSCELSF-WCQYABFASA-N 1 2 357.313 1.351 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000332268607 259253958 /nfs/dbraw/zinc/25/39/58/259253958.db2.gz UUSHRTKZSCELSF-WCQYABFASA-N 1 2 357.313 1.351 20 5 FDBDLO COc1cccc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000332377326 259261227 /nfs/dbraw/zinc/26/12/27/259261227.db2.gz WCMBPXXFPNBVDA-CYBMUJFWSA-N 1 2 359.386 1.466 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000363932927 259685882 /nfs/dbraw/zinc/68/58/82/259685882.db2.gz HTFGYSGEQHGERD-UHFFFAOYSA-N 1 2 371.397 1.733 20 5 FDBDLO COC(=O)c1cnc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000365453189 259846158 /nfs/dbraw/zinc/84/61/58/259846158.db2.gz RWWNWWYROPORDX-CYBMUJFWSA-N 1 2 361.358 1.450 20 5 FDBDLO CS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000367336933 260027021 /nfs/dbraw/zinc/02/70/21/260027021.db2.gz ORCWDZRRHOUDCV-UHFFFAOYSA-N 1 2 367.427 1.309 20 5 FDBDLO CS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000367336933 260027022 /nfs/dbraw/zinc/02/70/22/260027022.db2.gz ORCWDZRRHOUDCV-UHFFFAOYSA-N 1 2 367.427 1.309 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000368301295 260163946 /nfs/dbraw/zinc/16/39/46/260163946.db2.gz IEANGDHJSRHQMM-LSDHHAIUSA-N 1 2 369.443 1.268 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000368301295 260163948 /nfs/dbraw/zinc/16/39/48/260163948.db2.gz IEANGDHJSRHQMM-LSDHHAIUSA-N 1 2 369.443 1.268 20 5 FDBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000368876244 260253543 /nfs/dbraw/zinc/25/35/43/260253543.db2.gz PEOKNEPUJFDXTC-KMFMINBZSA-N 1 2 372.425 1.602 20 5 FDBDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000368876244 260253544 /nfs/dbraw/zinc/25/35/44/260253544.db2.gz PEOKNEPUJFDXTC-KMFMINBZSA-N 1 2 372.425 1.602 20 5 FDBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@]2(CCOC2)O1 ZINC000373809546 261042624 /nfs/dbraw/zinc/04/26/24/261042624.db2.gz JKGIVWPPIRWCAY-UGSOOPFHSA-N 1 2 361.398 1.364 20 5 FDBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@]2(CCOC2)O1 ZINC000373809546 261042625 /nfs/dbraw/zinc/04/26/25/261042625.db2.gz JKGIVWPPIRWCAY-UGSOOPFHSA-N 1 2 361.398 1.364 20 5 FDBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000373954674 261057033 /nfs/dbraw/zinc/05/70/33/261057033.db2.gz RMTNDAJXYGZQKL-CRAIPNDOSA-N 1 2 371.393 1.419 20 5 FDBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000373954674 261057034 /nfs/dbraw/zinc/05/70/34/261057034.db2.gz RMTNDAJXYGZQKL-CRAIPNDOSA-N 1 2 371.393 1.419 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000374318816 261109501 /nfs/dbraw/zinc/10/95/01/261109501.db2.gz ZMNHBTFEZOVMTL-HNNXBMFYSA-N 1 2 360.345 1.069 20 5 FDBDLO Cc1cc(OCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000374373113 261119295 /nfs/dbraw/zinc/11/92/95/261119295.db2.gz GXMKOAPOZRMDOX-MRXNPFEDSA-N 1 2 356.382 1.850 20 5 FDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374373555 261119460 /nfs/dbraw/zinc/11/94/60/261119460.db2.gz IRKVDYLGZAOIGR-OAHLLOKOSA-N 1 2 352.354 1.653 20 5 FDBDLO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375652231 261390552 /nfs/dbraw/zinc/39/05/52/261390552.db2.gz KJKSPCQXLMXQHN-CQSZACIVSA-N 1 2 362.430 1.543 20 5 FDBDLO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375652231 261390554 /nfs/dbraw/zinc/39/05/54/261390554.db2.gz KJKSPCQXLMXQHN-CQSZACIVSA-N 1 2 362.430 1.543 20 5 FDBDLO O=C1[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CCCN1CC[NH+]1CCOCC1 ZINC000378573264 262047681 /nfs/dbraw/zinc/04/76/81/262047681.db2.gz UNAYAAQSYUFGFT-HNNXBMFYSA-N 1 2 366.393 1.469 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000378616121 262054596 /nfs/dbraw/zinc/05/45/96/262054596.db2.gz BDQXEZWOVNDHPB-NSHDSACASA-N 1 2 352.372 1.852 20 5 FDBDLO O=c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)nc2sccn21 ZINC000015143767 518711026 /nfs/dbraw/zinc/71/10/26/518711026.db2.gz ZQQPOZBNTQHGHA-UHFFFAOYSA-N 1 2 372.410 1.381 20 5 FDBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ncccn3)CC2)c2c(c1)COCO2 ZINC000023751993 518964557 /nfs/dbraw/zinc/96/45/57/518964557.db2.gz SOSPHNNDZIDCRM-UHFFFAOYSA-N 1 2 357.370 1.574 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000025373870 519058490 /nfs/dbraw/zinc/05/84/90/519058490.db2.gz YDGIJIFXUQKLAL-MRXNPFEDSA-N 1 2 371.459 1.538 20 5 FDBDLO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000026660454 519133057 /nfs/dbraw/zinc/13/30/57/519133057.db2.gz MXXGRHQRIBMDIQ-CYBMUJFWSA-N 1 2 355.416 1.093 20 5 FDBDLO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000026660454 519133066 /nfs/dbraw/zinc/13/30/66/519133066.db2.gz MXXGRHQRIBMDIQ-CYBMUJFWSA-N 1 2 355.416 1.093 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000028750702 519249272 /nfs/dbraw/zinc/24/92/72/519249272.db2.gz PBKUTERARWOMKG-CYBMUJFWSA-N 1 2 362.430 1.388 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030280271 519355221 /nfs/dbraw/zinc/35/52/21/519355221.db2.gz QFCFTFKLQNWVIF-LBPRGKRZSA-N 1 2 360.414 1.912 20 5 FDBDLO Cc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n2ncnc2n1 ZINC000030591154 519382443 /nfs/dbraw/zinc/38/24/43/519382443.db2.gz RKESPWVYEHJWIV-UHFFFAOYSA-N 1 2 353.386 1.663 20 5 FDBDLO Nc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000031941717 519472015 /nfs/dbraw/zinc/47/20/15/519472015.db2.gz XKKZPJPPOGDLSC-INIZCTEOSA-N 1 2 366.443 1.115 20 5 FDBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000032149123 519484629 /nfs/dbraw/zinc/48/46/29/519484629.db2.gz NLGOSRZQWRBIPA-GFCCVEGCSA-N 1 2 364.383 1.040 20 5 FDBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000032687932 519525011 /nfs/dbraw/zinc/52/50/11/519525011.db2.gz KXHVYZLIBZYPCV-UHFFFAOYSA-N 1 2 358.354 1.757 20 5 FDBDLO Cc1cccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000057061965 521991508 /nfs/dbraw/zinc/99/15/08/521991508.db2.gz AMOVNBQKKQDMCH-UHFFFAOYSA-N 1 2 370.413 1.245 20 5 FDBDLO Cc1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000057062301 521992422 /nfs/dbraw/zinc/99/24/22/521992422.db2.gz IKCDKSYLDGIFPK-UHFFFAOYSA-N 1 2 370.413 1.245 20 5 FDBDLO COc1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000058704212 522289249 /nfs/dbraw/zinc/28/92/49/522289249.db2.gz DMYXKKJJRIPRLB-UHFFFAOYSA-N 1 2 362.367 1.730 20 5 FDBDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000072665021 522350600 /nfs/dbraw/zinc/35/06/00/522350600.db2.gz ZBUSPCDLWBWRGD-GFCCVEGCSA-N 1 2 359.390 1.157 20 5 FDBDLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000072665021 522350611 /nfs/dbraw/zinc/35/06/11/522350611.db2.gz ZBUSPCDLWBWRGD-GFCCVEGCSA-N 1 2 359.390 1.157 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000061137332 522444084 /nfs/dbraw/zinc/44/40/84/522444084.db2.gz HKFAJBOIBQIVDI-UHFFFAOYSA-N 1 2 355.358 1.387 20 5 FDBDLO CN(Cc1ccco1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744569 522596805 /nfs/dbraw/zinc/59/68/05/522596805.db2.gz MKSDLDLCJFHSSQ-UHFFFAOYSA-N 1 2 358.398 1.968 20 5 FDBDLO CS(=O)(=O)c1cc(C(=O)NCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1 ZINC000063703812 522630013 /nfs/dbraw/zinc/63/00/13/522630013.db2.gz BVEVFCLHLXCRPX-UHFFFAOYSA-N 1 2 364.383 1.235 20 5 FDBDLO CSCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075595021 522940109 /nfs/dbraw/zinc/94/01/09/522940109.db2.gz COKCJDXWWGCGJP-UHFFFAOYSA-N 1 2 359.473 1.654 20 5 FDBDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000052610691 523219764 /nfs/dbraw/zinc/21/97/64/523219764.db2.gz MWZSMSDALIACGN-UHFFFAOYSA-N 1 2 361.446 1.759 20 5 FDBDLO CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078452479 523583400 /nfs/dbraw/zinc/58/34/00/523583400.db2.gz MZTPWZNYGDYCQD-OAHLLOKOSA-N 1 2 357.370 1.377 20 5 FDBDLO NC(=O)c1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000054395882 523635333 /nfs/dbraw/zinc/63/53/33/523635333.db2.gz VXLMDLCCGLYHJU-INIZCTEOSA-N 1 2 368.393 1.757 20 5 FDBDLO NC(=O)c1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000054395882 523635337 /nfs/dbraw/zinc/63/53/37/523635337.db2.gz VXLMDLCCGLYHJU-INIZCTEOSA-N 1 2 368.393 1.757 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000156570476 524104880 /nfs/dbraw/zinc/10/48/80/524104880.db2.gz MCNGRMUGRVIUKH-CQSZACIVSA-N 1 2 374.401 1.898 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000156570476 524104886 /nfs/dbraw/zinc/10/48/86/524104886.db2.gz MCNGRMUGRVIUKH-CQSZACIVSA-N 1 2 374.401 1.898 20 5 FDBDLO O=C(C1CC1)N1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000121258298 524202464 /nfs/dbraw/zinc/20/24/64/524202464.db2.gz NEKGOIDVVQLDDX-QGZVFWFLSA-N 1 2 372.425 1.644 20 5 FDBDLO O=C(C1CC1)N1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000121258298 524202469 /nfs/dbraw/zinc/20/24/69/524202469.db2.gz NEKGOIDVVQLDDX-QGZVFWFLSA-N 1 2 372.425 1.644 20 5 FDBDLO COc1ccc(S(=O)(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)cc1[N+](=O)[O-] ZINC000121337691 524225285 /nfs/dbraw/zinc/22/52/85/524225285.db2.gz VNQYLPWLKAOGPB-LLVKDONJSA-N 1 2 366.399 1.402 20 5 FDBDLO 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O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000846940811 951707247 /nfs/dbraw/zinc/70/72/47/951707247.db2.gz WTHBMVBKVMMIJM-OAHLLOKOSA-N 1 2 350.375 1.800 20 5 FDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000846940811 951707249 /nfs/dbraw/zinc/70/72/49/951707249.db2.gz WTHBMVBKVMMIJM-OAHLLOKOSA-N 1 2 350.375 1.800 20 5 FDBDLO COCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795939304 1013417616 /nfs/dbraw/zinc/41/76/16/1013417616.db2.gz AKQGJKPTTHTWJD-UHFFFAOYSA-N 1 2 369.802 1.244 20 5 FDBDLO COCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795939304 1013417620 /nfs/dbraw/zinc/41/76/20/1013417620.db2.gz AKQGJKPTTHTWJD-UHFFFAOYSA-N 1 2 369.802 1.244 20 5 FDBDLO Cc1cc(=O)[nH]c(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001176202400 963389014 /nfs/dbraw/zinc/38/90/14/963389014.db2.gz LZBQMSXBBMZWPL-HNNXBMFYSA-N 1 2 359.386 1.254 20 5 FDBDLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001176602867 963499176 /nfs/dbraw/zinc/49/91/76/963499176.db2.gz YOOXNPMAWYUGGW-XPTSAGLGSA-N 1 2 363.349 1.034 20 5 FDBDLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001176602867 963499183 /nfs/dbraw/zinc/49/91/83/963499183.db2.gz YOOXNPMAWYUGGW-XPTSAGLGSA-N 1 2 363.349 1.034 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC001176859423 963573573 /nfs/dbraw/zinc/57/35/73/963573573.db2.gz DMPXNIBZDVCVGW-QGZVFWFLSA-N 1 2 361.402 1.612 20 5 FDBDLO O=C(NCCCCCC[NH2+]Cc1nnsc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458786 964243596 /nfs/dbraw/zinc/24/35/96/964243596.db2.gz YCDYKZJSXBSCAC-MWLCHTKSSA-N 1 2 361.855 1.623 20 5 FDBDLO O=C(NCCCCCC[NH2+]Cc1noc(C2CCC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463473 964246143 /nfs/dbraw/zinc/24/61/43/964246143.db2.gz DHOOZDWXWYWZMC-ZIAGYGMSSA-N 1 2 365.434 1.769 20 5 FDBDLO O=C(NCC1(n2cccn2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001179258761 964800540 /nfs/dbraw/zinc/80/05/40/964800540.db2.gz LKLIPZWAYJZGRF-UHFFFAOYSA-N 1 2 352.354 1.896 20 5 FDBDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853492224 968051686 /nfs/dbraw/zinc/05/16/86/968051686.db2.gz IHGVVOJUMDRUDQ-CQSZACIVSA-N 1 2 358.402 1.659 20 5 FDBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853492224 968051696 /nfs/dbraw/zinc/05/16/96/968051696.db2.gz IHGVVOJUMDRUDQ-CQSZACIVSA-N 1 2 358.402 1.659 20 5 FDBDLO Cc1nn(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000853532146 968089338 /nfs/dbraw/zinc/08/93/38/968089338.db2.gz USZODLLZCRTPFH-MSOLQXFVSA-N 1 2 357.414 1.642 20 5 FDBDLO Cc1nn(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000853532146 968089348 /nfs/dbraw/zinc/08/93/48/968089348.db2.gz USZODLLZCRTPFH-MSOLQXFVSA-N 1 2 357.414 1.642 20 5 FDBDLO Nc1ccc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000853909621 968424181 /nfs/dbraw/zinc/42/41/81/968424181.db2.gz CVVRRHNPNGPMRV-IBGZPJMESA-N 1 2 372.425 1.852 20 5 FDBDLO Nc1ccc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000853909621 968424185 /nfs/dbraw/zinc/42/41/85/968424185.db2.gz CVVRRHNPNGPMRV-IBGZPJMESA-N 1 2 372.425 1.852 20 5 FDBDLO O=c1[nH]c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc2c1COCC2 ZINC001194031896 969962727 /nfs/dbraw/zinc/96/27/27/969962727.db2.gz XOEPVPVNIDWUQX-UHFFFAOYSA-N 1 2 360.374 1.197 20 5 FDBDLO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000265978354 970303437 /nfs/dbraw/zinc/30/34/37/970303437.db2.gz DWHRERCSRZQKGT-UHFFFAOYSA-N 1 2 362.430 1.486 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCOC2=O)C1 ZINC000855509078 970442280 /nfs/dbraw/zinc/44/22/80/970442280.db2.gz QEKOTSVGFFZYNA-CYBMUJFWSA-N 1 2 371.353 1.447 20 5 FDBDLO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794623405 973486218 /nfs/dbraw/zinc/48/62/18/973486218.db2.gz NBMPAAVOWMBBFI-GFCCVEGCSA-N 1 2 362.386 1.698 20 5 FDBDLO CCCNC(=O)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794623405 973486223 /nfs/dbraw/zinc/48/62/23/973486223.db2.gz NBMPAAVOWMBBFI-GFCCVEGCSA-N 1 2 362.386 1.698 20 5 FDBDLO Cc1cc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000848295966 976579046 /nfs/dbraw/zinc/57/90/46/976579046.db2.gz XCZGBDGPGQJHJZ-RWMBFGLXSA-N 1 2 350.419 1.713 20 5 FDBDLO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000848295966 976579058 /nfs/dbraw/zinc/57/90/58/976579058.db2.gz XCZGBDGPGQJHJZ-RWMBFGLXSA-N 1 2 350.419 1.713 20 5 FDBDLO COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000858686830 982222501 /nfs/dbraw/zinc/22/25/01/982222501.db2.gz VKEDWLKHBSGAIT-KRWDZBQOSA-N 1 2 369.393 1.770 20 5 FDBDLO COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000858686830 982222509 /nfs/dbraw/zinc/22/25/09/982222509.db2.gz VKEDWLKHBSGAIT-KRWDZBQOSA-N 1 2 369.393 1.770 20 5 FDBDLO CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299028968 988056777 /nfs/dbraw/zinc/05/67/77/988056777.db2.gz WJUVORMYCBAYDD-GFCCVEGCSA-N 1 2 359.386 1.815 20 5 FDBDLO CCNC(=O)NC(=O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000369905459 989288196 /nfs/dbraw/zinc/28/81/96/989288196.db2.gz ANNRGFPMYQNVSG-UHFFFAOYSA-N 1 2 361.402 1.420 20 5 FDBDLO CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000369905459 989288206 /nfs/dbraw/zinc/28/82/06/989288206.db2.gz ANNRGFPMYQNVSG-UHFFFAOYSA-N 1 2 361.402 1.420 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370445738 989753347 /nfs/dbraw/zinc/75/33/47/989753347.db2.gz XMOJRHKLSRVMGS-HZPDHXFCSA-N 1 2 363.414 1.977 20 5 FDBDLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000298464917 990121494 /nfs/dbraw/zinc/12/14/94/990121494.db2.gz WPIYDBRILVJRPU-UHFFFAOYSA-N 1 2 372.425 1.392 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000365325298 990154323 /nfs/dbraw/zinc/15/43/23/990154323.db2.gz RFAIOEONCXHFJF-CYBMUJFWSA-N 1 2 371.397 1.981 20 5 FDBDLO COc1ccc(OC)c(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)c1 ZINC000298727707 990245081 /nfs/dbraw/zinc/24/50/81/990245081.db2.gz MXOLFCSKNDNRCD-UHFFFAOYSA-N 1 2 374.401 1.306 20 5 FDBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c2nonc21 ZINC000372009369 990890348 /nfs/dbraw/zinc/89/03/48/990890348.db2.gz IQZHBTHOPXLCGW-INIZCTEOSA-N 1 2 363.374 1.424 20 5 FDBDLO O=C1NC[C@@]2(CCC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)O1 ZINC000372621515 991274748 /nfs/dbraw/zinc/27/47/48/991274748.db2.gz RIEARKQBINHASG-WMLDXEAASA-N 1 2 360.370 1.275 20 5 FDBDLO O=C1NC[C@@]2(CCC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)O1 ZINC000372621515 991274752 /nfs/dbraw/zinc/27/47/52/991274752.db2.gz RIEARKQBINHASG-WMLDXEAASA-N 1 2 360.370 1.275 20 5 FDBDLO CCCN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372653445 991303817 /nfs/dbraw/zinc/30/38/17/991303817.db2.gz DLWOZPGMDBTRBA-HOTGVXAUSA-N 1 2 361.446 1.966 20 5 FDBDLO Cc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000876168943 992393526 /nfs/dbraw/zinc/39/35/26/992393526.db2.gz GFNQDRWGALTNRT-UHFFFAOYSA-N 1 2 350.419 1.813 20 5 FDBDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)[nH]1 ZINC000412036102 992773520 /nfs/dbraw/zinc/77/35/20/992773520.db2.gz GZSQZOFWSSJPIP-SWLSCSKDSA-N 1 2 356.386 1.616 20 5 FDBDLO Cc1nnc([C@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)[nH]1 ZINC000412036102 992773524 /nfs/dbraw/zinc/77/35/24/992773524.db2.gz GZSQZOFWSSJPIP-SWLSCSKDSA-N 1 2 356.386 1.616 20 5 FDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374363734 992793161 /nfs/dbraw/zinc/79/31/61/992793161.db2.gz JBBIVZYOPLMATG-HNNXBMFYSA-N 1 2 356.382 1.932 20 5 FDBDLO 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GIZLTVXZOAEWDO-UHFFFAOYSA-N 1 2 355.358 1.387 20 5 FDBDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000133246202 173258766 /nfs/dbraw/zinc/25/87/66/173258766.db2.gz YGOIWSLZEMNCMW-UHFFFAOYSA-N 1 2 372.381 1.120 20 5 FDBDLO C[C@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000171717411 173894943 /nfs/dbraw/zinc/89/49/43/173894943.db2.gz DBHQPQLBQNHBEQ-KBPBESRZSA-N 1 2 350.419 1.845 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176260215 174061367 /nfs/dbraw/zinc/06/13/67/174061367.db2.gz VVXOPUZOIWXGAW-UHFFFAOYSA-N 1 2 374.357 1.158 20 5 FDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179945379 258360095 /nfs/dbraw/zinc/36/00/95/258360095.db2.gz MSPCLTMBXZVJNN-NSHDSACASA-N 1 2 373.356 1.958 20 5 FDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179945379 258360096 /nfs/dbraw/zinc/36/00/96/258360096.db2.gz MSPCLTMBXZVJNN-NSHDSACASA-N 1 2 373.356 1.958 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000180390650 258367774 /nfs/dbraw/zinc/36/77/74/258367774.db2.gz OHDQBOBVWNXQSC-LLVKDONJSA-N 1 2 353.350 1.443 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000180390650 258367775 /nfs/dbraw/zinc/36/77/75/258367775.db2.gz OHDQBOBVWNXQSC-LLVKDONJSA-N 1 2 353.350 1.443 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000180388715 258367801 /nfs/dbraw/zinc/36/78/01/258367801.db2.gz BJIRYQOXRPNDJT-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000180388715 258367802 /nfs/dbraw/zinc/36/78/02/258367802.db2.gz BJIRYQOXRPNDJT-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3C[NH+]3CCOCC3)n2)cc1 ZINC000173691486 258307812 /nfs/dbraw/zinc/30/78/12/258307812.db2.gz RQZVUPHFTXCXPQ-MRXNPFEDSA-N 1 2 373.413 1.941 20 5 FDBDLO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173973582 258315894 /nfs/dbraw/zinc/31/58/94/258315894.db2.gz PRCCTTHMRXKPBL-XJKSGUPXSA-N 1 2 365.455 1.866 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000174197306 258321095 /nfs/dbraw/zinc/32/10/95/258321095.db2.gz ZZXGSTMISYDDSL-GFCCVEGCSA-N 1 2 351.407 1.065 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000174197306 258321096 /nfs/dbraw/zinc/32/10/96/258321096.db2.gz ZZXGSTMISYDDSL-GFCCVEGCSA-N 1 2 351.407 1.065 20 5 FDBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178655222 258331195 /nfs/dbraw/zinc/33/11/95/258331195.db2.gz DXOJEZNCOKNXGK-CYBMUJFWSA-N 1 2 368.821 1.133 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](OCCO)C1 ZINC000178653465 258331215 /nfs/dbraw/zinc/33/12/15/258331215.db2.gz BDRJIDJGQTVPMW-CQSZACIVSA-N 1 2 360.370 1.394 20 5 FDBDLO C[C@H](c1nccs1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000184623303 258382799 /nfs/dbraw/zinc/38/27/99/258382799.db2.gz KPQCWEIYGSZMJS-CYBMUJFWSA-N 1 2 363.443 1.592 20 5 FDBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000554801606 543873395 /nfs/dbraw/zinc/87/33/95/543873395.db2.gz WQJUWOLSWPIFNH-UHFFFAOYSA-N 1 2 368.409 1.339 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000557476147 544296420 /nfs/dbraw/zinc/29/64/20/544296420.db2.gz WZKUTODGOVRJQK-CYBMUJFWSA-N 1 2 366.418 1.935 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000560105502 544889675 /nfs/dbraw/zinc/88/96/75/544889675.db2.gz BRMHZJLVDQGMBE-CABCVRRESA-N 1 2 368.821 1.863 20 5 FDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000560105502 544889680 /nfs/dbraw/zinc/88/96/80/544889680.db2.gz BRMHZJLVDQGMBE-CABCVRRESA-N 1 2 368.821 1.863 20 5 FDBDLO CC[N@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000299590036 259008907 /nfs/dbraw/zinc/00/89/07/259008907.db2.gz VGXLCNBMTNRXJW-UHFFFAOYSA-N 1 2 358.398 1.789 20 5 FDBDLO CC[N@@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000299590036 259008908 /nfs/dbraw/zinc/00/89/08/259008908.db2.gz VGXLCNBMTNRXJW-UHFFFAOYSA-N 1 2 358.398 1.789 20 5 FDBDLO COC(=O)c1cc(N2CCN(Cc3[nH+]ccn3C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301668925 259031347 /nfs/dbraw/zinc/03/13/47/259031347.db2.gz DMQDFURDAQBMNC-UHFFFAOYSA-N 1 2 373.413 1.746 20 5 FDBDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000301799417 259034021 /nfs/dbraw/zinc/03/40/21/259034021.db2.gz RODQYQZLEXMUFO-HNNXBMFYSA-N 1 2 362.430 1.273 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)c[nH+]2)CCO1 ZINC000301830144 259034564 /nfs/dbraw/zinc/03/45/64/259034564.db2.gz HHWVUWVESXWIDD-GFCCVEGCSA-N 1 2 369.385 1.870 20 5 FDBDLO Cc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330423460 259143954 /nfs/dbraw/zinc/14/39/54/259143954.db2.gz RATNNVUHRVDIQL-ZIAGYGMSSA-N 1 2 371.459 1.681 20 5 FDBDLO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000330864188 259166464 /nfs/dbraw/zinc/16/64/64/259166464.db2.gz WWADARZEDSBPTA-OKILXGFUSA-N 1 2 355.460 1.783 20 5 FDBDLO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000330864188 259166465 /nfs/dbraw/zinc/16/64/65/259166465.db2.gz WWADARZEDSBPTA-OKILXGFUSA-N 1 2 355.460 1.783 20 5 FDBDLO CS[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000332081359 259239277 /nfs/dbraw/zinc/23/92/77/259239277.db2.gz LVTZBXQCKJCZRH-HUUCEWRRSA-N 1 2 351.428 1.952 20 5 FDBDLO CC[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000332166470 259246696 /nfs/dbraw/zinc/24/66/96/259246696.db2.gz WZMNGYVBDVYBHP-OLZOCXBDSA-N 1 2 365.434 1.624 20 5 FDBDLO CC[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000332166470 259246697 /nfs/dbraw/zinc/24/66/97/259246697.db2.gz WZMNGYVBDVYBHP-OLZOCXBDSA-N 1 2 365.434 1.624 20 5 FDBDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000332536869 259274842 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ARRHGPINJLXDMJ-CYBMUJFWSA-N 1 2 364.402 1.602 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c([N+](=O)[O-])cc1OC ZINC000367474202 260047882 /nfs/dbraw/zinc/04/78/82/260047882.db2.gz ARRHGPINJLXDMJ-CYBMUJFWSA-N 1 2 364.402 1.602 20 5 FDBDLO Cc1cccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1[N+](=O)[O-] ZINC000368554485 260201188 /nfs/dbraw/zinc/20/11/88/260201188.db2.gz LLNQSJMQWXJOSS-SFHVURJKSA-N 1 2 363.414 1.514 20 5 FDBDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000368838107 260246342 /nfs/dbraw/zinc/24/63/42/260246342.db2.gz JIJMGNNNEPNZHF-UHFFFAOYSA-N 1 2 354.794 1.142 20 5 FDBDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000368838107 260246343 /nfs/dbraw/zinc/24/63/43/260246343.db2.gz JIJMGNNNEPNZHF-UHFFFAOYSA-N 1 2 354.794 1.142 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)NC(=O)Nc1ccccc1 ZINC000369003950 260275084 /nfs/dbraw/zinc/27/50/84/260275084.db2.gz WTERBVKTBLZEAC-AWEZNQCLSA-N 1 2 372.385 1.777 20 5 FDBDLO 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Cc1nn(C)c(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c1[N+](=O)[O-] ZINC000369382213 260353053 /nfs/dbraw/zinc/35/30/53/260353053.db2.gz YHZGVCAVJCFGJM-UHFFFAOYSA-N 1 2 362.434 1.356 20 5 FDBDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4nccc(C)c4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000370613788 260578964 /nfs/dbraw/zinc/57/89/64/260578964.db2.gz GIRUCAMNOBVMLL-CHWSQXEVSA-N 1 2 358.402 1.812 20 5 FDBDLO Cc1nn(CCC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000372554694 260887269 /nfs/dbraw/zinc/88/72/69/260887269.db2.gz WHIILDCBQHIVGK-UHFFFAOYSA-N 1 2 372.429 1.978 20 5 FDBDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373585933 261022363 /nfs/dbraw/zinc/02/23/63/261022363.db2.gz PCVGFHPBSCGBLY-UMVBOHGHSA-N 1 2 351.407 1.112 20 5 FDBDLO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373585933 261022364 /nfs/dbraw/zinc/02/23/64/261022364.db2.gz PCVGFHPBSCGBLY-UMVBOHGHSA-N 1 2 351.407 1.112 20 5 FDBDLO 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CNS(=O)(=O)c1ccc(NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000015130700 518711065 /nfs/dbraw/zinc/71/10/65/518711065.db2.gz FIEOAKLEWMANIY-UHFFFAOYSA-N 1 2 361.383 1.763 20 5 FDBDLO CC(=O)N1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000027564372 519184375 /nfs/dbraw/zinc/18/43/75/519184375.db2.gz RUBIIBHRUYPQPF-UHFFFAOYSA-N 1 2 354.794 1.741 20 5 FDBDLO CC(=O)N1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000027564372 519184381 /nfs/dbraw/zinc/18/43/81/519184381.db2.gz RUBIIBHRUYPQPF-UHFFFAOYSA-N 1 2 354.794 1.741 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000028435681 519238281 /nfs/dbraw/zinc/23/82/81/519238281.db2.gz OYDGACJRDWSDMB-UHFFFAOYSA-N 1 2 359.386 1.015 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000028508307 519240971 /nfs/dbraw/zinc/24/09/71/519240971.db2.gz DEEFEJWCNCEBFY-HNNXBMFYSA-N 1 2 358.333 1.570 20 5 FDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000029187576 519275759 /nfs/dbraw/zinc/27/57/59/519275759.db2.gz SNTGDRNNTXKWMJ-UHFFFAOYSA-N 1 2 366.447 1.294 20 5 FDBDLO Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)cccc1[N+](=O)[O-] ZINC000041637779 519662990 /nfs/dbraw/zinc/66/29/90/519662990.db2.gz OWQSKCCAOPNDHC-UHFFFAOYSA-N 1 2 357.370 1.619 20 5 FDBDLO CN(C)c1[nH+]cccc1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000043893215 521907697 /nfs/dbraw/zinc/90/76/97/521907697.db2.gz KWZFDJRGPUHYBL-UHFFFAOYSA-N 1 2 358.402 1.967 20 5 FDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000045269522 522062899 /nfs/dbraw/zinc/06/28/99/522062899.db2.gz AYCIEYOHGHCISV-UHFFFAOYSA-N 1 2 352.354 1.829 20 5 FDBDLO COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000057701470 522134655 /nfs/dbraw/zinc/13/46/55/522134655.db2.gz RSEAGCNXCVHFOO-CYBMUJFWSA-N 1 2 369.399 1.778 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000046034221 522208477 /nfs/dbraw/zinc/20/84/77/522208477.db2.gz HGEXPCJHAWIGIR-AWEZNQCLSA-N 1 2 371.459 1.538 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000046034221 522208483 /nfs/dbraw/zinc/20/84/83/522208483.db2.gz HGEXPCJHAWIGIR-AWEZNQCLSA-N 1 2 371.459 1.538 20 5 FDBDLO CC(C)C(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000046586637 522322746 /nfs/dbraw/zinc/32/27/46/522322746.db2.gz NZCFYBPPVRFWKV-OAHLLOKOSA-N 1 2 351.403 1.135 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000047033041 522430171 /nfs/dbraw/zinc/43/01/71/522430171.db2.gz ZKXWJDKXOLAKQY-UHFFFAOYSA-N 1 2 357.432 1.566 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000047152129 522460361 /nfs/dbraw/zinc/46/03/61/522460361.db2.gz YFUNSSDGBSWYCJ-OLZOCXBDSA-N 1 2 353.444 1.912 20 5 FDBDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744798 522595807 /nfs/dbraw/zinc/59/58/07/522595807.db2.gz FQPJEOZXJOJKMD-OAHLLOKOSA-N 1 2 364.446 1.648 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000048939772 522796009 /nfs/dbraw/zinc/79/60/09/522796009.db2.gz SJWLWBAGNRJDEQ-UHFFFAOYSA-N 1 2 353.338 1.806 20 5 FDBDLO O=C(NCCNc1cccc[nH+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049017442 522804432 /nfs/dbraw/zinc/80/44/32/522804432.db2.gz SXTNWSHKPXVJFS-UHFFFAOYSA-N 1 2 363.761 1.810 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000065744645 522875104 /nfs/dbraw/zinc/87/51/04/522875104.db2.gz ASMCWBNIRUSZFH-UHFFFAOYSA-N 1 2 358.333 1.741 20 5 FDBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000065757999 522880027 /nfs/dbraw/zinc/88/00/27/522880027.db2.gz WXHWGJCSVJXJBB-UHFFFAOYSA-N 1 2 351.338 1.844 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccon3)CC2)c1 ZINC000075857351 522978376 /nfs/dbraw/zinc/97/83/76/522978376.db2.gz LLPIEBFPTGYCFZ-INIZCTEOSA-N 1 2 362.386 1.140 20 5 FDBDLO Cc1noc(CCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000066723991 523181977 /nfs/dbraw/zinc/18/19/77/523181977.db2.gz 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/nfs/dbraw/zinc/79/45/18/525794518.db2.gz OHGQSXWLJKHZJI-UHFFFAOYSA-N 1 2 356.382 1.962 20 5 FDBDLO C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000171595425 526040926 /nfs/dbraw/zinc/04/09/26/526040926.db2.gz IDJNHAPNQHHESQ-ZIAGYGMSSA-N 1 2 365.434 1.415 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171624649 526055223 /nfs/dbraw/zinc/05/52/23/526055223.db2.gz RVANKJKYLSMPAR-ZDUSSCGKSA-N 1 2 370.413 1.951 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171624649 526055232 /nfs/dbraw/zinc/05/52/32/526055232.db2.gz RVANKJKYLSMPAR-ZDUSSCGKSA-N 1 2 370.413 1.951 20 5 FDBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182179034 526082847 /nfs/dbraw/zinc/08/28/47/526082847.db2.gz PBDHNAZSCYMNNY-UHFFFAOYSA-N 1 2 371.821 1.555 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182417300 526166414 /nfs/dbraw/zinc/16/64/14/526166414.db2.gz GTPOMQQVEJTELG-UHFFFAOYSA-N 1 2 368.415 1.934 20 5 FDBDLO CC(C)(CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000109982515 526211150 /nfs/dbraw/zinc/21/11/50/526211150.db2.gz MDQMXACACQRXCW-UHFFFAOYSA-N 1 2 374.397 1.277 20 5 FDBDLO CCOc1cccc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000184043461 536085733 /nfs/dbraw/zinc/08/57/33/536085733.db2.gz UKJAMUDNYWRGAF-CYBMUJFWSA-N 1 2 362.430 1.783 20 5 FDBDLO Cc1cc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000184957418 536194042 /nfs/dbraw/zinc/19/40/42/536194042.db2.gz OEVRZPNCZLGSHG-UHFFFAOYSA-N 1 2 356.386 1.546 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000186702083 536241682 /nfs/dbraw/zinc/24/16/82/536241682.db2.gz LDBXJLNAOMJMEJ-UHFFFAOYSA-N 1 2 359.379 1.211 20 5 FDBDLO Cc1cc(N2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)n[nH]1 ZINC000187180738 536256877 /nfs/dbraw/zinc/25/68/77/536256877.db2.gz RYOQTRIGGVORPQ-UHFFFAOYSA-N 1 2 370.413 1.338 20 5 FDBDLO NC(=O)c1coc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000187877752 536277103 /nfs/dbraw/zinc/27/71/03/536277103.db2.gz XVGTVTPRGUQVEJ-UHFFFAOYSA-N 1 2 355.310 1.402 20 5 FDBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188797547 536951980 /nfs/dbraw/zinc/95/19/80/536951980.db2.gz UXOMBIWVBFUOLT-GFCCVEGCSA-N 1 2 357.432 1.061 20 5 FDBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188797547 536951986 /nfs/dbraw/zinc/95/19/86/536951986.db2.gz UXOMBIWVBFUOLT-GFCCVEGCSA-N 1 2 357.432 1.061 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246631504 536993367 /nfs/dbraw/zinc/99/33/67/536993367.db2.gz ZMGNFLPUUDPKDQ-JKIFEVAISA-N 1 2 362.430 1.574 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246661285 536998660 /nfs/dbraw/zinc/99/86/60/536998660.db2.gz JBFQYHROWCVQRF-CABCVRRESA-N 1 2 362.430 1.576 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246661285 536998663 /nfs/dbraw/zinc/99/86/63/536998663.db2.gz JBFQYHROWCVQRF-CABCVRRESA-N 1 2 362.430 1.576 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189836191 537103612 /nfs/dbraw/zinc/10/36/12/537103612.db2.gz BFKWHLWVAGZUIF-HOCLYGCPSA-N 1 2 351.403 1.181 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000189836191 537103616 /nfs/dbraw/zinc/10/36/16/537103616.db2.gz BFKWHLWVAGZUIF-HOCLYGCPSA-N 1 2 351.403 1.181 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1 ZINC000247482048 537123215 /nfs/dbraw/zinc/12/32/15/537123215.db2.gz KEGZESOHKYSAMV-CSMYWGQOSA-N 1 2 364.377 1.753 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1 ZINC000247482048 537123217 /nfs/dbraw/zinc/12/32/17/537123217.db2.gz KEGZESOHKYSAMV-CSMYWGQOSA-N 1 2 364.377 1.753 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000190184211 537150931 /nfs/dbraw/zinc/15/09/31/537150931.db2.gz IIKQQPBHWMGGDL-UHFFFAOYSA-N 1 2 357.432 1.212 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000190184211 537150933 /nfs/dbraw/zinc/15/09/33/537150933.db2.gz IIKQQPBHWMGGDL-UHFFFAOYSA-N 1 2 357.432 1.212 20 5 FDBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000248962447 537222819 /nfs/dbraw/zinc/22/28/19/537222819.db2.gz BHCAKCUTSSCDBH-APHBMKBZSA-N 1 2 361.398 1.831 20 5 FDBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000248962447 537222820 /nfs/dbraw/zinc/22/28/20/537222820.db2.gz BHCAKCUTSSCDBH-APHBMKBZSA-N 1 2 361.398 1.831 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249085904 537227801 /nfs/dbraw/zinc/22/78/01/537227801.db2.gz SPWPABMDUHGNHA-ZDUSSCGKSA-N 1 2 371.459 1.369 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249085904 537227802 /nfs/dbraw/zinc/22/78/02/537227802.db2.gz SPWPABMDUHGNHA-ZDUSSCGKSA-N 1 2 371.459 1.369 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293017271 537292835 /nfs/dbraw/zinc/29/28/35/537292835.db2.gz QIVBCVLCSXRGNM-WBMJQRKESA-N 1 2 374.401 1.343 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293017271 537292839 /nfs/dbraw/zinc/29/28/39/537292839.db2.gz QIVBCVLCSXRGNM-WBMJQRKESA-N 1 2 374.401 1.343 20 5 FDBDLO CCOCCOCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000276145356 537301648 /nfs/dbraw/zinc/30/16/48/537301648.db2.gz FLVZEEXAFSQPLZ-UHFFFAOYSA-N 1 2 355.391 1.527 20 5 FDBDLO CCOCCOCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000276145356 537301657 /nfs/dbraw/zinc/30/16/57/537301657.db2.gz FLVZEEXAFSQPLZ-UHFFFAOYSA-N 1 2 355.391 1.527 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000293110266 537348343 /nfs/dbraw/zinc/34/83/43/537348343.db2.gz LQUQFFNFRRLGQQ-AWEZNQCLSA-N 1 2 373.409 1.838 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000285973147 537393057 /nfs/dbraw/zinc/39/30/57/537393057.db2.gz NPKQEKBPIZOULY-RHSMWYFYSA-N 1 2 362.430 1.353 20 5 FDBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000299280592 537532634 /nfs/dbraw/zinc/53/26/34/537532634.db2.gz SAHQWADEAQIPNX-LLVKDONJSA-N 1 2 359.386 1.814 20 5 FDBDLO COc1cc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000291530283 537621332 /nfs/dbraw/zinc/62/13/32/537621332.db2.gz KDNJKKNGRRZDHE-UKRRQHHQSA-N 1 2 365.430 1.907 20 5 FDBDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326728441 537630665 /nfs/dbraw/zinc/63/06/65/537630665.db2.gz DZULUKIGXLSUMD-NEPJUHHUSA-N 1 2 357.407 1.981 20 5 FDBDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326728441 537630669 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OIKIFQXUZSXINZ-LLVKDONJSA-N 1 2 361.395 1.208 20 5 FDBDLO O=C(C(=O)N1CC[NH+](C2CC2)CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000298245544 537718125 /nfs/dbraw/zinc/71/81/25/537718125.db2.gz KNOSQOVFRCUCCR-UHFFFAOYSA-N 1 2 372.425 1.392 20 5 FDBDLO CN(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)S(C)(=O)=O ZINC000285703639 537748473 /nfs/dbraw/zinc/74/84/73/537748473.db2.gz SPPUAZHRAOAQGO-LBPRGKRZSA-N 1 2 359.423 1.837 20 5 FDBDLO CN(C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)S(C)(=O)=O ZINC000285703639 537748474 /nfs/dbraw/zinc/74/84/74/537748474.db2.gz SPPUAZHRAOAQGO-LBPRGKRZSA-N 1 2 359.423 1.837 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371317475 537816628 /nfs/dbraw/zinc/81/66/28/537816628.db2.gz CFCOFVGABRRXMS-LLVKDONJSA-N 1 2 366.399 1.515 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366767289 537850638 /nfs/dbraw/zinc/85/06/38/537850638.db2.gz KIVZSRHGJLPJIT-CYBMUJFWSA-N 1 2 357.370 1.074 20 5 FDBDLO 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ZINC000428343889 538290299 /nfs/dbraw/zinc/29/02/99/538290299.db2.gz DWVCNAIXNQJCFY-LBPRGKRZSA-N 1 2 352.354 1.722 20 5 FDBDLO CCOc1cc(C(=O)NCc2c[nH+]c(C)nc2N)c([N+](=O)[O-])cc1OC ZINC000560499902 545526331 /nfs/dbraw/zinc/52/63/31/545526331.db2.gz TXDYJMUVMBWZPW-UHFFFAOYSA-N 1 2 361.358 1.613 20 5 FDBDLO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000424484752 538312295 /nfs/dbraw/zinc/31/22/95/538312295.db2.gz AVFZKTGMOICDOS-PWSUYJOCSA-N 1 2 370.356 1.133 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451948482 538342382 /nfs/dbraw/zinc/34/23/82/538342382.db2.gz UPWWCHYCSUUJAI-MWLCHTKSSA-N 1 2 352.372 1.784 20 5 FDBDLO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448811838 538414891 /nfs/dbraw/zinc/41/48/91/538414891.db2.gz MXMOMEFBMQGFEH-VXGBXAGGSA-N 1 2 359.386 1.814 20 5 FDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000462775406 538658560 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O=C(CN1CCC[C@@H]([NH+]2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000563545270 546582499 /nfs/dbraw/zinc/58/24/99/546582499.db2.gz KGCHVZGBGJLOLZ-QGZVFWFLSA-N 1 2 374.441 1.281 20 5 FDBDLO CC(C)(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000564146453 546822330 /nfs/dbraw/zinc/82/23/30/546822330.db2.gz BXNLOMCMCLIMFB-OAHLLOKOSA-N 1 2 371.459 1.308 20 5 FDBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CCO1 ZINC000565223359 547262648 /nfs/dbraw/zinc/26/26/48/547262648.db2.gz UEMLZPZUUNYISH-ZDUSSCGKSA-N 1 2 368.409 1.703 20 5 FDBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CCO1 ZINC000565223359 547262652 /nfs/dbraw/zinc/26/26/52/547262652.db2.gz UEMLZPZUUNYISH-ZDUSSCGKSA-N 1 2 368.409 1.703 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1n[nH]cc1Br ZINC000566106809 547606779 /nfs/dbraw/zinc/60/67/79/547606779.db2.gz ACBUOSFNWXVCOE-VIFPVBQESA-N 1 2 371.191 1.610 20 5 FDBDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000566501491 547784339 /nfs/dbraw/zinc/78/43/39/547784339.db2.gz IHIUTZZGRUVSJT-UHFFFAOYSA-N 1 2 357.370 1.468 20 5 FDBDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000566501491 547784342 /nfs/dbraw/zinc/78/43/42/547784342.db2.gz IHIUTZZGRUVSJT-UHFFFAOYSA-N 1 2 357.370 1.468 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000568321275 548488877 /nfs/dbraw/zinc/48/88/77/548488877.db2.gz HAXOKWKUPBJRJF-LLVKDONJSA-N 1 2 357.357 1.595 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(F)c1 ZINC000573101178 550064380 /nfs/dbraw/zinc/06/43/80/550064380.db2.gz PMBNIPZKEOTPJJ-ZDUSSCGKSA-N 1 2 368.390 1.710 20 5 FDBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(n2cc[nH+]c2)CC1 ZINC000573744260 550203856 /nfs/dbraw/zinc/20/38/56/550203856.db2.gz OLKDUHYJMAPSCI-UHFFFAOYSA-N 1 2 372.381 1.969 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000574097544 550256803 /nfs/dbraw/zinc/25/68/03/550256803.db2.gz CAZZBLQIJSXDRA-MRXNPFEDSA-N 1 2 362.430 1.638 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000574097544 550256804 /nfs/dbraw/zinc/25/68/04/550256804.db2.gz CAZZBLQIJSXDRA-MRXNPFEDSA-N 1 2 362.430 1.638 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000574097544 550256807 /nfs/dbraw/zinc/25/68/07/550256807.db2.gz CAZZBLQIJSXDRA-MRXNPFEDSA-N 1 2 362.430 1.638 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000580227267 550957056 /nfs/dbraw/zinc/95/70/56/550957056.db2.gz ZAADQRXFMDGYKU-UHFFFAOYSA-N 1 2 373.413 1.746 20 5 FDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000587036350 551629898 /nfs/dbraw/zinc/62/98/98/551629898.db2.gz WVXRPGWJOFSWBZ-AAEUAGOBSA-N 1 2 373.369 1.120 20 5 FDBDLO Cn1c2cc(NCC3([NH+]4CCOCC4)CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588034098 551642226 /nfs/dbraw/zinc/64/22/26/551642226.db2.gz JXVRIYWKAOECKB-UHFFFAOYSA-N 1 2 361.402 1.062 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000588777682 551686400 /nfs/dbraw/zinc/68/64/00/551686400.db2.gz UDFKHLKLXLHIGT-UHFFFAOYSA-N 1 2 357.370 1.067 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000589512866 551734238 /nfs/dbraw/zinc/73/42/38/551734238.db2.gz FBPIXLCIFWSQTQ-OKILXGFUSA-N 1 2 365.430 1.922 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000589512866 551734240 /nfs/dbraw/zinc/73/42/40/551734240.db2.gz FBPIXLCIFWSQTQ-OKILXGFUSA-N 1 2 365.430 1.922 20 5 FDBDLO CCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000589517524 551734633 /nfs/dbraw/zinc/73/46/33/551734633.db2.gz HRBSAWIEKXDZPO-CQSZACIVSA-N 1 2 363.370 1.351 20 5 FDBDLO CCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000589517524 551734634 /nfs/dbraw/zinc/73/46/34/551734634.db2.gz HRBSAWIEKXDZPO-CQSZACIVSA-N 1 2 363.370 1.351 20 5 FDBDLO CCOC(=O)[C@@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000589592479 551736948 /nfs/dbraw/zinc/73/69/48/551736948.db2.gz HEIUFUFOYWTFSU-KRWDZBQOSA-N 1 2 367.402 1.153 20 5 FDBDLO Cc1c(C(=O)N2CCc3[nH]c[nH+]c3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590553019 551791230 /nfs/dbraw/zinc/79/12/30/551791230.db2.gz RYGWPIWZSOVKKZ-UHFFFAOYSA-N 1 2 353.342 1.406 20 5 FDBDLO Cc1c(C(=O)N2CCc3[nH+]c[nH]c3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590553019 551791231 /nfs/dbraw/zinc/79/12/31/551791231.db2.gz RYGWPIWZSOVKKZ-UHFFFAOYSA-N 1 2 353.342 1.406 20 5 FDBDLO Nc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc1[N+](=O)[O-] ZINC000590573457 551793861 /nfs/dbraw/zinc/79/38/61/551793861.db2.gz XGHYTTSOHNXFJB-UHFFFAOYSA-N 1 2 370.413 2.087 20 5 FDBDLO COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590868053 551824249 /nfs/dbraw/zinc/82/42/49/551824249.db2.gz BZDVNFBVILPQQB-OLZOCXBDSA-N 1 2 358.354 1.852 20 5 FDBDLO CS(=O)(=O)N[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591138962 551846588 /nfs/dbraw/zinc/84/65/88/551846588.db2.gz UCPZTNFDZRLGEF-GFCCVEGCSA-N 1 2 350.400 1.661 20 5 FDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000593022577 552053746 /nfs/dbraw/zinc/05/37/46/552053746.db2.gz HITLUTXDOPRLMM-UHFFFAOYSA-N 1 2 374.372 1.824 20 5 FDBDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000593190297 552071343 /nfs/dbraw/zinc/07/13/43/552071343.db2.gz IKUNKSSPNAGAGP-TUAOUCFPSA-N 1 2 369.443 1.551 20 5 FDBDLO C[C@@H]1[C@H](C)N(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000593190297 552071344 /nfs/dbraw/zinc/07/13/44/552071344.db2.gz IKUNKSSPNAGAGP-TUAOUCFPSA-N 1 2 369.443 1.551 20 5 FDBDLO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[NH+]2CCOCC2)c1 ZINC000593386319 552100054 /nfs/dbraw/zinc/10/00/54/552100054.db2.gz UZJLXRVQZQNZEJ-UHFFFAOYSA-N 1 2 373.413 1.210 20 5 FDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456134 552111222 /nfs/dbraw/zinc/11/12/22/552111222.db2.gz AMLUPCBUACARBD-ZDUSSCGKSA-N 1 2 369.425 1.932 20 5 FDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000593525336 552122685 /nfs/dbraw/zinc/12/26/85/552122685.db2.gz APQNBXAAWPVICV-HNNXBMFYSA-N 1 2 362.411 1.667 20 5 FDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000593525336 552122686 /nfs/dbraw/zinc/12/26/86/552122686.db2.gz APQNBXAAWPVICV-HNNXBMFYSA-N 1 2 362.411 1.667 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593658674 552166154 /nfs/dbraw/zinc/16/61/54/552166154.db2.gz QVTLTMDGFLHSNS-UHFFFAOYSA-N 1 2 357.432 1.326 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593658674 552166156 /nfs/dbraw/zinc/16/61/56/552166156.db2.gz QVTLTMDGFLHSNS-UHFFFAOYSA-N 1 2 357.432 1.326 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000593887864 552218326 /nfs/dbraw/zinc/21/83/26/552218326.db2.gz ZFOZWENYUQXTMC-UHFFFAOYSA-N 1 2 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COc1cc(OCC(=O)O[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000784906540 769045847 /nfs/dbraw/zinc/04/58/47/769045847.db2.gz IQWSIHUKYLHZTL-LBPRGKRZSA-N 1 2 354.359 1.246 20 5 FDBDLO Cn1nc([N+](=O)[O-])cc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000478717606 782807710 /nfs/dbraw/zinc/80/77/10/782807710.db2.gz CDNYRVRCZWMMCY-UHFFFAOYSA-N 1 2 370.369 1.878 20 5 FDBDLO Cc1cccc(-c2noc(C[NH2+][C@H]3C[C@@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)n2)c1 ZINC001022065514 777714209 /nfs/dbraw/zinc/71/42/09/777714209.db2.gz YDLVZQHILNBLAM-LXTVHRRPSA-N 1 2 371.397 1.447 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NCc1ccc(F)cc1 ZINC000364325736 784953054 /nfs/dbraw/zinc/95/30/54/784953054.db2.gz RQWSQAAOJVVHPU-OAHLLOKOSA-N 1 2 361.377 1.884 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)NCc1ccc(F)cc1 ZINC000364325736 784953058 /nfs/dbraw/zinc/95/30/58/784953058.db2.gz RQWSQAAOJVVHPU-OAHLLOKOSA-N 1 2 361.377 1.884 20 5 FDBDLO 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CCc1ccc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1[N+](=O)[O-] ZINC000378568198 794332362 /nfs/dbraw/zinc/33/23/62/794332362.db2.gz WMBJZXNANZYATI-UHFFFAOYSA-N 1 2 374.441 1.536 20 5 FDBDLO COC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000412502929 795867881 /nfs/dbraw/zinc/86/78/81/795867881.db2.gz MXGXBAXVOWPEFR-CYBMUJFWSA-N 1 2 358.354 1.852 20 5 FDBDLO COc1cc(CCNC(=O)NCc2c[nH+]cn2C)c([N+](=O)[O-])cc1OC ZINC000292141552 800050163 /nfs/dbraw/zinc/05/01/63/800050163.db2.gz YEROKLQSYXBITR-UHFFFAOYSA-N 1 2 363.374 1.387 20 5 FDBDLO COc1cc(OCC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000279045779 808174611 /nfs/dbraw/zinc/17/46/11/808174611.db2.gz CBBLJYPTMZHELK-CYBMUJFWSA-N 1 2 367.402 1.161 20 5 FDBDLO Cc1nc([C@@](C)([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000433299483 810403615 /nfs/dbraw/zinc/40/36/15/810403615.db2.gz QXVSMAQIHBMFCL-PBHICJAKSA-N 1 2 362.386 1.941 20 5 FDBDLO Cc1cc(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc(C)[nH+]1 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CC(C)Oc1nc(N2CCN(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000576003097 550500543 /nfs/dbraw/zinc/50/05/43/550500543.db2.gz JZQRWTZOARDSHG-UHFFFAOYSA-N 1 2 360.418 1.833 20 5 FDBDLO CNS(=O)(=O)c1ccc(N[C@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000580228201 550957317 /nfs/dbraw/zinc/95/73/17/550957317.db2.gz STSLYRGSDAHTBY-AWEZNQCLSA-N 1 2 365.415 1.800 20 5 FDBDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000582389590 551217352 /nfs/dbraw/zinc/21/73/52/551217352.db2.gz SUTNPASSMMWZQS-UHFFFAOYSA-N 1 2 367.435 1.412 20 5 FDBDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000582389590 551217354 /nfs/dbraw/zinc/21/73/54/551217354.db2.gz SUTNPASSMMWZQS-UHFFFAOYSA-N 1 2 367.435 1.412 20 5 FDBDLO CNc1nccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1[N+](=O)[O-] ZINC000583134354 551308327 /nfs/dbraw/zinc/30/83/27/551308327.db2.gz GHMNAQBGLJWBMD-UHFFFAOYSA-N 1 2 372.385 1.824 20 5 FDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000583670796 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MDLWWZCTPGAHRU-OAHLLOKOSA-N 1 2 371.397 1.911 20 5 FDBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601102878 553348063 /nfs/dbraw/zinc/34/80/63/553348063.db2.gz ITHHBSPKXAYABY-CYBMUJFWSA-N 1 2 365.409 1.652 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000601405046 553396570 /nfs/dbraw/zinc/39/65/70/553396570.db2.gz KFDSPXZKYKIRMV-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000601405046 553396572 /nfs/dbraw/zinc/39/65/72/553396572.db2.gz KFDSPXZKYKIRMV-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO C[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000601781466 553474577 /nfs/dbraw/zinc/47/45/77/553474577.db2.gz WOVHOMDRAJSBJO-WBMJQRKESA-N 1 2 353.444 1.356 20 5 FDBDLO O=C(C[N@@H+]1CCO[C@H](C(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000601972853 553497969 /nfs/dbraw/zinc/49/79/69/553497969.db2.gz GXSSKYNIGRPHMV-AWEZNQCLSA-N 1 2 355.341 1.840 20 5 FDBDLO O=C(C[N@H+]1CCO[C@H](C(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000601972853 553497970 /nfs/dbraw/zinc/49/79/70/553497970.db2.gz GXSSKYNIGRPHMV-AWEZNQCLSA-N 1 2 355.341 1.840 20 5 FDBDLO O=[N+]([O-])c1cccnc1N1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000602687274 553623155 /nfs/dbraw/zinc/62/31/55/553623155.db2.gz JNCYDOCTCDKBAH-UHFFFAOYSA-N 1 2 357.370 1.478 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000603375368 553774552 /nfs/dbraw/zinc/77/45/52/553774552.db2.gz QNSUJAWXEGCDSP-UHFFFAOYSA-N 1 2 361.395 1.457 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000603375368 553774554 /nfs/dbraw/zinc/77/45/54/553774554.db2.gz QNSUJAWXEGCDSP-UHFFFAOYSA-N 1 2 361.395 1.457 20 5 FDBDLO O=C(C[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000603864234 553821542 /nfs/dbraw/zinc/82/15/42/553821542.db2.gz PLOOIRZNIFHKLU-UHFFFAOYSA-N 1 2 367.409 1.701 20 5 FDBDLO Cc1c(C(=O)N2CC(n3cc[nH+]c3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609624845 554404547 /nfs/dbraw/zinc/40/45/47/554404547.db2.gz FEXYBXCMWGMUQQ-UHFFFAOYSA-N 1 2 353.342 1.378 20 5 FDBDLO CC(=O)N1CC[NH+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610060927 554452761 /nfs/dbraw/zinc/45/27/61/554452761.db2.gz XBYIOKDSCSBKCA-UHFFFAOYSA-N 1 2 362.430 1.153 20 5 FDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000610212287 554474365 /nfs/dbraw/zinc/47/43/65/554474365.db2.gz CKHQXPRUMALLAQ-UHFFFAOYSA-N 1 2 373.394 1.713 20 5 FDBDLO Cc1c(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000610533893 554524243 /nfs/dbraw/zinc/52/42/43/554524243.db2.gz VKSRUBJGYRZMMW-ZDUSSCGKSA-N 1 2 357.370 1.902 20 5 FDBDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cccnc3[N+](=O)[O-])CC2)n1 ZINC000610542229 554525934 /nfs/dbraw/zinc/52/59/34/554525934.db2.gz NBNBNAWSDSQAKM-LBPRGKRZSA-N 1 2 362.390 1.793 20 5 FDBDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cccnc3[N+](=O)[O-])CC2)n1 ZINC000610542229 554525938 /nfs/dbraw/zinc/52/59/38/554525938.db2.gz NBNBNAWSDSQAKM-LBPRGKRZSA-N 1 2 362.390 1.793 20 5 FDBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3cccnn3)CC1)OCCO2 ZINC000611267394 554620458 /nfs/dbraw/zinc/62/04/58/554620458.db2.gz CWNOPIQGWFKAOL-UHFFFAOYSA-N 1 2 357.370 1.478 20 5 FDBDLO Cc1nc(C[NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)cs1 ZINC000611525195 554641580 /nfs/dbraw/zinc/64/15/80/554641580.db2.gz JZKYRSIAOZZBIJ-UHFFFAOYSA-N 1 2 363.443 1.756 20 5 FDBDLO CC(=O)N[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615992216 555261549 /nfs/dbraw/zinc/26/15/49/555261549.db2.gz RPDVRAHJFXQICZ-MRXNPFEDSA-N 1 2 362.430 1.532 20 5 FDBDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000618283339 555603550 /nfs/dbraw/zinc/60/35/50/555603550.db2.gz REHZETHUTBLRHT-UHFFFAOYSA-N 1 2 354.370 1.606 20 5 FDBDLO CCn1nc2c(cc1=O)C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000618283339 555603551 /nfs/dbraw/zinc/60/35/51/555603551.db2.gz REHZETHUTBLRHT-UHFFFAOYSA-N 1 2 354.370 1.606 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000618547312 555647932 /nfs/dbraw/zinc/64/79/32/555647932.db2.gz ASNOOSJJPOSAKO-UHFFFAOYSA-N 1 2 360.414 1.786 20 5 FDBDLO COc1ccc(NC(=O)C[NH+]2CCC(CO)(OC)CC2)c([N+](=O)[O-])c1 ZINC000618551206 555648350 /nfs/dbraw/zinc/64/83/50/555648350.db2.gz NNCDUCAOGKGFJG-UHFFFAOYSA-N 1 2 353.375 1.015 20 5 FDBDLO COC1(CO)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000618550713 555648527 /nfs/dbraw/zinc/64/85/27/555648527.db2.gz BBDJAOVJYVQQRG-UHFFFAOYSA-N 1 2 357.794 1.660 20 5 FDBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(CO)(OC)CC2)c([N+](=O)[O-])c1 ZINC000618551711 555648517 /nfs/dbraw/zinc/64/85/17/555648517.db2.gz MVIDYUIPZLGGHL-UHFFFAOYSA-N 1 2 367.402 1.405 20 5 FDBDLO CNC(=O)[C@H]1CCC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619154558 555731386 /nfs/dbraw/zinc/73/13/86/555731386.db2.gz AZKGLNZEECAGBB-GJZGRUSLSA-N 1 2 362.430 1.754 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000619489618 555786860 /nfs/dbraw/zinc/78/68/60/555786860.db2.gz VBAIIVVSKVDITJ-UHFFFAOYSA-N 1 2 351.340 1.586 20 5 FDBDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000619493687 555788334 /nfs/dbraw/zinc/78/83/34/555788334.db2.gz DIBIGLKKJDPYII-RYUDHWBXSA-N 1 2 352.370 1.958 20 5 FDBDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000619493687 555788335 /nfs/dbraw/zinc/78/83/35/555788335.db2.gz DIBIGLKKJDPYII-RYUDHWBXSA-N 1 2 352.370 1.958 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000619618097 555810227 /nfs/dbraw/zinc/81/02/27/555810227.db2.gz ZSNWFTPTEJVESN-IUODEOHRSA-N 1 2 355.354 1.131 20 5 FDBDLO CC(C)OCCCNC(=O)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000151830250 671874484 /nfs/dbraw/zinc/87/44/84/671874484.db2.gz YZABTNIKIUGNSY-UHFFFAOYSA-N 1 2 353.423 1.392 20 5 FDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000267660773 673318447 /nfs/dbraw/zinc/31/84/47/673318447.db2.gz KDEOQYJJHUNZLM-GFCCVEGCSA-N 1 2 369.443 1.082 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000279037224 675234818 /nfs/dbraw/zinc/23/48/18/675234818.db2.gz BGDUJWSVDFYKAW-LLVKDONJSA-N 1 2 351.359 1.116 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000279287306 675270056 /nfs/dbraw/zinc/27/00/56/675270056.db2.gz LDZMSBSYLZSJGG-TXEJJXNPSA-N 1 2 353.423 1.623 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000279287306 675270060 /nfs/dbraw/zinc/27/00/60/675270060.db2.gz LDZMSBSYLZSJGG-TXEJJXNPSA-N 1 2 353.423 1.623 20 5 FDBDLO COCC[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000280816327 675459189 /nfs/dbraw/zinc/45/91/89/675459189.db2.gz RSAAOVHGZSPYTA-UHFFFAOYSA-N 1 2 353.375 1.016 20 5 FDBDLO CS(=O)(=O)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000280867878 675464384 /nfs/dbraw/zinc/46/43/84/675464384.db2.gz WJVNZPHRJNHPNS-UHFFFAOYSA-N 1 2 364.383 1.088 20 5 FDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)c1 ZINC000284010159 675667603 /nfs/dbraw/zinc/66/76/03/675667603.db2.gz HEINIRMEYHKQNY-CQSZACIVSA-N 1 2 353.444 1.542 20 5 FDBDLO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000285344454 675820865 /nfs/dbraw/zinc/82/08/65/675820865.db2.gz UYGJFVLOEORREZ-NSHDSACASA-N 1 2 354.388 1.520 20 5 FDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000290811612 676234265 /nfs/dbraw/zinc/23/42/65/676234265.db2.gz FHOLJRQUOCCLMA-QMTHXVAHSA-N 1 2 355.341 1.808 20 5 FDBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000294507576 676386031 /nfs/dbraw/zinc/38/60/31/676386031.db2.gz KQSHVQGWGVFKKO-JTQLQIEISA-N 1 2 361.320 1.752 20 5 FDBDLO Cc1cc(Cl)c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295411971 676405301 /nfs/dbraw/zinc/40/53/01/676405301.db2.gz DHBZOGGODVWQDP-GFCCVEGCSA-N 1 2 371.821 1.322 20 5 FDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000364752351 677048412 /nfs/dbraw/zinc/04/84/12/677048412.db2.gz BMNZEBFTHDAIDA-HNNXBMFYSA-N 1 2 371.484 1.548 20 5 FDBDLO CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000365578527 677364599 /nfs/dbraw/zinc/36/45/99/677364599.db2.gz KOLFGXGYFXHHTH-QWHCGFSZSA-N 1 2 351.407 1.254 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)Nc2nccs2)CC1 ZINC000365820771 677384627 /nfs/dbraw/zinc/38/46/27/677384627.db2.gz RLZXNQFVAOOPEB-UHFFFAOYSA-N 1 2 350.404 1.636 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000365972626 677397004 /nfs/dbraw/zinc/39/70/04/677397004.db2.gz ZXGSTXSEPZTDII-NSHDSACASA-N 1 2 366.399 1.895 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000371053648 677642449 /nfs/dbraw/zinc/64/24/49/677642449.db2.gz KCVOTFLRTYQWMG-NSHDSACASA-N 1 2 366.399 1.515 20 5 FDBDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000372861254 677986030 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ZINC000301363398 259026825 /nfs/dbraw/zinc/02/68/25/259026825.db2.gz RBTCCRSFBAXDID-NSHDSACASA-N 1 2 366.393 1.532 20 5 FDBDLO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+](Cc4cscn4)CC3)nn21 ZINC000301957005 259036575 /nfs/dbraw/zinc/03/65/75/259036575.db2.gz FYZJZKZLXDMSMN-UHFFFAOYSA-N 1 2 359.415 1.806 20 5 FDBDLO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+](Cc4cscn4)CC3)nn21 ZINC000301957005 259036576 /nfs/dbraw/zinc/03/65/76/259036576.db2.gz FYZJZKZLXDMSMN-UHFFFAOYSA-N 1 2 359.415 1.806 20 5 FDBDLO CCN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000331206699 259181246 /nfs/dbraw/zinc/18/12/46/259181246.db2.gz ZWDOJZWFUJNKOJ-UHFFFAOYSA-N 1 2 354.432 1.283 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000332213659 259249864 /nfs/dbraw/zinc/24/98/64/259249864.db2.gz GXXSTLNHYWJFRG-QWHCGFSZSA-N 1 2 370.203 1.512 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000332213659 259249865 /nfs/dbraw/zinc/24/98/65/259249865.db2.gz 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O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOC[C@H]1C1CC1 ZINC000367239676 260014583 /nfs/dbraw/zinc/01/45/83/260014583.db2.gz DVDJNLZSHMCYPC-SFHVURJKSA-N 1 2 374.441 1.354 20 5 FDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368602067 260208067 /nfs/dbraw/zinc/20/80/67/260208067.db2.gz MJYHBYDBZGMKBE-MRXNPFEDSA-N 1 2 366.443 1.115 20 5 FDBDLO Cn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010793 260276144 /nfs/dbraw/zinc/27/61/44/260276144.db2.gz PEACVOFLFVYMBP-CYBMUJFWSA-N 1 2 368.397 1.875 20 5 FDBDLO Cn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010793 260276145 /nfs/dbraw/zinc/27/61/45/260276145.db2.gz PEACVOFLFVYMBP-CYBMUJFWSA-N 1 2 368.397 1.875 20 5 FDBDLO NC(=O)C1([NH+]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000370880189 260624290 /nfs/dbraw/zinc/62/42/90/260624290.db2.gz CYLZLPBEKFWKEM-UHFFFAOYSA-N 1 2 360.414 1.080 20 5 FDBDLO Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] 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/nfs/dbraw/zinc/19/80/68/261198068.db2.gz OTUOJBGEQWYEHL-HUUCEWRRSA-N 1 2 369.443 1.123 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c([N+](=O)[O-])cc1F ZINC000375141712 261276094 /nfs/dbraw/zinc/27/60/94/261276094.db2.gz LWXJXWAUBCKHNP-LBPRGKRZSA-N 1 2 352.366 1.732 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c([N+](=O)[O-])cc1F ZINC000375141712 261276095 /nfs/dbraw/zinc/27/60/95/261276095.db2.gz LWXJXWAUBCKHNP-LBPRGKRZSA-N 1 2 352.366 1.732 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375504367 261355825 /nfs/dbraw/zinc/35/58/25/261355825.db2.gz GJTPZKLOOKSRRW-OPRDCNLKSA-N 1 2 374.319 1.517 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375504367 261355826 /nfs/dbraw/zinc/35/58/26/261355826.db2.gz GJTPZKLOOKSRRW-OPRDCNLKSA-N 1 2 374.319 1.517 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375509141 261358007 /nfs/dbraw/zinc/35/80/07/261358007.db2.gz DGDZOSUUNDDLPC-GHMZBOCLSA-N 1 2 374.319 1.437 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375509141 261358009 /nfs/dbraw/zinc/35/80/09/261358009.db2.gz DGDZOSUUNDDLPC-GHMZBOCLSA-N 1 2 374.319 1.437 20 5 FDBDLO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc([N+](=O)[O-])c1O ZINC000018053712 518790718 /nfs/dbraw/zinc/79/07/18/518790718.db2.gz ODRDQGRAWOTGHZ-CQSZACIVSA-N 1 2 354.326 1.755 20 5 FDBDLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)on1 ZINC000022251580 518895167 /nfs/dbraw/zinc/89/51/67/518895167.db2.gz WNAQOYVRZRLYSE-UHFFFAOYSA-N 1 2 373.413 1.956 20 5 FDBDLO Cn1ncc2c1nc[nH+]c2SCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028762222 519250085 /nfs/dbraw/zinc/25/00/85/519250085.db2.gz IATOOXAYHAUUSA-UHFFFAOYSA-N 1 2 370.394 1.953 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030278197 519356260 /nfs/dbraw/zinc/35/62/60/519356260.db2.gz AXYAYPMYUFPUAO-UHFFFAOYSA-N 1 2 360.414 1.832 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000030337556 519361491 /nfs/dbraw/zinc/36/14/91/519361491.db2.gz IGWBLXDRNGTTES-MCIONIFRSA-N 1 2 371.459 1.679 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000030337556 519361499 /nfs/dbraw/zinc/36/14/99/519361499.db2.gz IGWBLXDRNGTTES-MCIONIFRSA-N 1 2 371.459 1.679 20 5 FDBDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912516 519399400 /nfs/dbraw/zinc/39/94/00/519399400.db2.gz RGVADBKGNHZBIK-OAHLLOKOSA-N 1 2 364.446 1.648 20 5 FDBDLO Cc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000031941312 519472175 /nfs/dbraw/zinc/47/21/75/519472175.db2.gz JLUQWMNTQHOELC-KRWDZBQOSA-N 1 2 365.455 1.841 20 5 FDBDLO C[C@@H](Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-])C1CC1 ZINC000038368857 519633830 /nfs/dbraw/zinc/63/38/30/519633830.db2.gz QPPPWUMUZKNJGY-GFCCVEGCSA-N 1 2 368.459 1.741 20 5 FDBDLO CC(C)CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000038557087 519634816 /nfs/dbraw/zinc/63/48/16/519634816.db2.gz GCEHGTACJDHCOP-UHFFFAOYSA-N 1 2 356.448 1.599 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000041638775 519663102 /nfs/dbraw/zinc/66/31/02/519663102.db2.gz GKPZQPCBKHYDSL-UHFFFAOYSA-N 1 2 357.370 1.619 20 5 FDBDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000042058998 519680191 /nfs/dbraw/zinc/68/01/91/519680191.db2.gz XBCVVNUFRFNDFM-UHFFFAOYSA-N 1 2 361.377 1.614 20 5 FDBDLO Cc1ccnc(NC(=O)C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000069013074 521782607 /nfs/dbraw/zinc/78/26/07/521782607.db2.gz IQPYWOHZWFBEEG-OAHLLOKOSA-N 1 2 374.397 1.608 20 5 FDBDLO Cc1ccnc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000069013074 521782609 /nfs/dbraw/zinc/78/26/09/521782609.db2.gz IQPYWOHZWFBEEG-OAHLLOKOSA-N 1 2 374.397 1.608 20 5 FDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000056459888 521863921 /nfs/dbraw/zinc/86/39/21/521863921.db2.gz PZPOOHJUWOVGGX-UHFFFAOYSA-N 1 2 371.397 1.826 20 5 FDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000070448453 522006545 /nfs/dbraw/zinc/00/65/45/522006545.db2.gz BJWYWAAELTUWEX-NSHDSACASA-N 1 2 367.369 1.809 20 5 FDBDLO O=C(NCCCCn1cc[nH+]c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000057375913 522076899 /nfs/dbraw/zinc/07/68/99/522076899.db2.gz BPEQBEGRHYQNKY-UHFFFAOYSA-N 1 2 373.417 1.498 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000045805095 522163972 /nfs/dbraw/zinc/16/39/72/522163972.db2.gz ZYULBODCIHJEHN-CHWSQXEVSA-N 1 2 371.459 1.681 20 5 FDBDLO Cc1cc(NCCCNS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057826254 522165704 /nfs/dbraw/zinc/16/57/04/522165704.db2.gz UHZQMULQJCGLRZ-UHFFFAOYSA-N 1 2 365.415 1.711 20 5 FDBDLO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000072672866 522351671 /nfs/dbraw/zinc/35/16/71/522351671.db2.gz 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ZINC000298715480 537283131 /nfs/dbraw/zinc/28/31/31/537283131.db2.gz BXCHCZXVVNIALE-ZDUSSCGKSA-N 1 2 355.398 1.972 20 5 FDBDLO Cn1cc([C@@H](O)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272513819 537291671 /nfs/dbraw/zinc/29/16/71/537291671.db2.gz JPZDWXJZLMUBQT-HOTGVXAUSA-N 1 2 356.386 1.474 20 5 FDBDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000278315973 537295888 /nfs/dbraw/zinc/29/58/88/537295888.db2.gz NCWWTXUVBYHYFW-JSGCOSHPSA-N 1 2 372.393 1.588 20 5 FDBDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000278315973 537295895 /nfs/dbraw/zinc/29/58/95/537295895.db2.gz NCWWTXUVBYHYFW-JSGCOSHPSA-N 1 2 372.393 1.588 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000272557471 537300185 /nfs/dbraw/zinc/30/01/85/537300185.db2.gz SLLZDTVFKTUXCY-AWEZNQCLSA-N 1 2 352.416 1.442 20 5 FDBDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000298807157 537325789 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C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000597994984 552854272 /nfs/dbraw/zinc/85/42/72/552854272.db2.gz CVVJRAGZKAEOHC-OLZOCXBDSA-N 1 2 358.398 1.982 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000598001281 552855894 /nfs/dbraw/zinc/85/58/94/552855894.db2.gz YQBWDLNHPVGAAO-UONOGXRCSA-N 1 2 373.413 1.620 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000598001281 552855895 /nfs/dbraw/zinc/85/58/95/552855895.db2.gz YQBWDLNHPVGAAO-UONOGXRCSA-N 1 2 373.413 1.620 20 5 FDBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343838 552887783 /nfs/dbraw/zinc/88/77/83/552887783.db2.gz ZXTLIDZEQUETFZ-UHFFFAOYSA-N 1 2 351.378 1.918 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606932 552914666 /nfs/dbraw/zinc/91/46/66/552914666.db2.gz JTFMEXSCSKDUAB-CHWSQXEVSA-N 1 2 371.459 1.287 20 5 FDBDLO 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ZINC000599195275 552982637 /nfs/dbraw/zinc/98/26/37/552982637.db2.gz UPCYEHMMHAFTTG-DOTOQJQBSA-N 1 2 362.430 1.814 20 5 FDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599195275 552982639 /nfs/dbraw/zinc/98/26/39/552982639.db2.gz UPCYEHMMHAFTTG-DOTOQJQBSA-N 1 2 362.430 1.814 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439417 553057205 /nfs/dbraw/zinc/05/72/05/553057205.db2.gz ROUDKQAENWTVDR-ZDUSSCGKSA-N 1 2 358.402 1.463 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)N2CC[NH+](Cc3cn[nH]c3)CC2)cccc1[N+](=O)[O-] ZINC000599439229 553057348 /nfs/dbraw/zinc/05/73/48/553057348.db2.gz LHMOHLHSTRZIRD-AWEZNQCLSA-N 1 2 372.429 1.771 20 5 FDBDLO COCC[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599467016 553065525 /nfs/dbraw/zinc/06/55/25/553065525.db2.gz OTDGSOVVYGOSOJ-UHFFFAOYSA-N 1 2 372.219 1.762 20 5 FDBDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000599525128 553080896 /nfs/dbraw/zinc/08/08/96/553080896.db2.gz DCVFUVWNJAODSS-UHFFFAOYSA-N 1 2 357.414 1.902 20 5 FDBDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000599525128 553080897 /nfs/dbraw/zinc/08/08/97/553080897.db2.gz DCVFUVWNJAODSS-UHFFFAOYSA-N 1 2 357.414 1.902 20 5 FDBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1OC ZINC000599531799 553082209 /nfs/dbraw/zinc/08/22/09/553082209.db2.gz PMJUEILKBLHKQA-UGFHNGPFSA-N 1 2 354.403 1.566 20 5 FDBDLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599570584 553091507 /nfs/dbraw/zinc/09/15/07/553091507.db2.gz SBAFOCSEGBQHJI-MEDUHNTESA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599570584 553091509 /nfs/dbraw/zinc/09/15/09/553091509.db2.gz SBAFOCSEGBQHJI-MEDUHNTESA-N 1 2 351.359 1.186 20 5 FDBDLO O=C1[C@@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599633150 553108921 /nfs/dbraw/zinc/10/89/21/553108921.db2.gz CDZAQZIRDPRRDT-CXGZALCVSA-N 1 2 363.439 1.686 20 5 FDBDLO O=C1[C@@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599633150 553108923 /nfs/dbraw/zinc/10/89/23/553108923.db2.gz CDZAQZIRDPRRDT-CXGZALCVSA-N 1 2 363.439 1.686 20 5 FDBDLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1 ZINC000599683198 553121062 /nfs/dbraw/zinc/12/10/62/553121062.db2.gz POBSYXLIVKNFAF-GXTWGEPZSA-N 1 2 372.341 1.956 20 5 FDBDLO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(N)=O ZINC000600266264 553239339 /nfs/dbraw/zinc/23/93/39/553239339.db2.gz UHYZYVVMUXBDMY-NSHDSACASA-N 1 2 363.399 1.117 20 5 FDBDLO COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000600302850 553246538 /nfs/dbraw/zinc/24/65/38/553246538.db2.gz ZCHVGNWMKBUFSS-QGZVFWFLSA-N 1 2 374.353 1.185 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600679744 553298621 /nfs/dbraw/zinc/29/86/21/553298621.db2.gz AGSIQYLKGRJZSV-MRXNPFEDSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600679744 553298622 /nfs/dbraw/zinc/29/86/22/553298622.db2.gz AGSIQYLKGRJZSV-MRXNPFEDSA-N 1 2 370.409 1.929 20 5 FDBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000601319426 553375257 /nfs/dbraw/zinc/37/52/57/553375257.db2.gz NQFXSUVJNRCAOF-ZDUSSCGKSA-N 1 2 367.377 1.297 20 5 FDBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH+](CCc2cnccn2)CC1 ZINC000601894053 553489025 /nfs/dbraw/zinc/48/90/25/553489025.db2.gz NWDXGMSJLUSFHA-UHFFFAOYSA-N 1 2 359.361 1.524 20 5 FDBDLO CC[C@](C)(C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)OC ZINC000602433552 553580770 /nfs/dbraw/zinc/58/07/70/553580770.db2.gz LZIRJQMISYCYNV-MRXNPFEDSA-N 1 2 371.459 1.716 20 5 FDBDLO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000602941221 553675323 /nfs/dbraw/zinc/67/53/23/553675323.db2.gz HLXJJEAMQDDBNQ-OAHLLOKOSA-N 1 2 361.377 1.862 20 5 FDBDLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000602941221 553675325 /nfs/dbraw/zinc/67/53/25/553675325.db2.gz HLXJJEAMQDDBNQ-OAHLLOKOSA-N 1 2 361.377 1.862 20 5 FDBDLO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000609178390 554346137 /nfs/dbraw/zinc/34/61/37/554346137.db2.gz XDQRYSDBQSGYFF-GFCCVEGCSA-N 1 2 365.386 1.222 20 5 FDBDLO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000609178390 554346139 /nfs/dbraw/zinc/34/61/39/554346139.db2.gz XDQRYSDBQSGYFF-GFCCVEGCSA-N 1 2 365.386 1.222 20 5 FDBDLO COc1ccc(CC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000609265147 554353446 /nfs/dbraw/zinc/35/34/46/554353446.db2.gz BNKQOAJCXRXHLF-UHFFFAOYSA-N 1 2 373.413 1.224 20 5 FDBDLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000609279122 554358454 /nfs/dbraw/zinc/35/84/54/554358454.db2.gz HTQGDINDSFFCGO-LLVKDONJSA-N 1 2 361.395 1.123 20 5 FDBDLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000609279122 554358453 /nfs/dbraw/zinc/35/84/53/554358453.db2.gz HTQGDINDSFFCGO-LLVKDONJSA-N 1 2 361.395 1.123 20 5 FDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609849309 554428756 /nfs/dbraw/zinc/42/87/56/554428756.db2.gz JTXSEMUQLDPOPZ-GFCCVEGCSA-N 1 2 370.413 1.327 20 5 FDBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000610272817 554485786 /nfs/dbraw/zinc/48/57/86/554485786.db2.gz HSSYKKKDMHCWIF-UHFFFAOYSA-N 1 2 358.345 1.406 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000610705942 554552797 /nfs/dbraw/zinc/55/27/97/554552797.db2.gz MWEMXHUQMJRYKL-UHFFFAOYSA-N 1 2 369.443 1.125 20 5 FDBDLO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000610912516 554580260 /nfs/dbraw/zinc/58/02/60/554580260.db2.gz QXKUKMDHZGNYRX-RNCFNFMXSA-N 1 2 372.219 1.806 20 5 FDBDLO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000610912516 554580263 /nfs/dbraw/zinc/58/02/63/554580263.db2.gz QXKUKMDHZGNYRX-RNCFNFMXSA-N 1 2 372.219 1.806 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000610925625 554581738 /nfs/dbraw/zinc/58/17/38/554581738.db2.gz RUTGTXQEMPUASX-CHWSQXEVSA-N 1 2 365.434 1.815 20 5 FDBDLO CSc1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000611136662 554608666 /nfs/dbraw/zinc/60/86/66/554608666.db2.gz IHCNTEVUUKZHRH-UHFFFAOYSA-N 1 2 369.443 1.083 20 5 FDBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000611198561 554614569 /nfs/dbraw/zinc/61/45/69/554614569.db2.gz CKTJIZRYYAUGDW-UHFFFAOYSA-N 1 2 359.386 1.593 20 5 FDBDLO Cn1cc(C[NH+]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)cn1 ZINC000611707462 554669700 /nfs/dbraw/zinc/66/97/00/554669700.db2.gz RFUFXKYAIPIJJI-UHFFFAOYSA-N 1 2 353.386 1.594 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481512395 568031112 /nfs/dbraw/zinc/03/11/12/568031112.db2.gz XIELGUAMRVWSRR-BJJXKVORSA-N 1 2 352.387 1.608 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481512395 568031114 /nfs/dbraw/zinc/03/11/14/568031114.db2.gz XIELGUAMRVWSRR-BJJXKVORSA-N 1 2 352.387 1.608 20 5 FDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000408244130 568139565 /nfs/dbraw/zinc/13/95/65/568139565.db2.gz NKHQTSKLUBHDPS-VXGBXAGGSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000408244130 568139566 /nfs/dbraw/zinc/13/95/66/568139566.db2.gz NKHQTSKLUBHDPS-VXGBXAGGSA-N 1 2 364.427 1.856 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273349722 674529825 /nfs/dbraw/zinc/52/98/25/674529825.db2.gz OZFCWSDPMHLBOW-CHWSQXEVSA-N 1 2 360.432 1.090 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273349722 674529826 /nfs/dbraw/zinc/52/98/26/674529826.db2.gz OZFCWSDPMHLBOW-CHWSQXEVSA-N 1 2 360.432 1.090 20 5 FDBDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000275799973 674641412 /nfs/dbraw/zinc/64/14/12/674641412.db2.gz JYQBQPHKFBJQIH-GFCCVEGCSA-N 1 2 371.459 1.280 20 5 FDBDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000275799973 674641416 /nfs/dbraw/zinc/64/14/16/674641416.db2.gz JYQBQPHKFBJQIH-GFCCVEGCSA-N 1 2 371.459 1.280 20 5 FDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)c1 ZINC000277063848 674848573 /nfs/dbraw/zinc/84/85/73/674848573.db2.gz IHSAZTDXCKMUTO-UHFFFAOYSA-N 1 2 356.308 1.426 20 5 FDBDLO Cc1nn(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c(C)c1[N+](=O)[O-] ZINC000098051662 671526815 /nfs/dbraw/zinc/52/68/15/671526815.db2.gz RFWLDNPRIKIDJP-UHFFFAOYSA-N 1 2 365.419 1.568 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261609995 672635002 /nfs/dbraw/zinc/63/50/02/672635002.db2.gz BWETVIYCPOUXDG-OAHLLOKOSA-N 1 2 362.411 1.633 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261730750 672660188 /nfs/dbraw/zinc/66/01/88/672660188.db2.gz OIPPMLNWSKAGPE-HNNXBMFYSA-N 1 2 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ZTEMKSZTWYUWDX-AWEZNQCLSA-N 1 2 373.413 1.511 20 5 FDBDLO CCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000264555516 179134086 /nfs/dbraw/zinc/13/40/86/179134086.db2.gz ZTEMKSZTWYUWDX-AWEZNQCLSA-N 1 2 373.413 1.511 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1 ZINC000264648033 179157301 /nfs/dbraw/zinc/15/73/01/179157301.db2.gz ODRRSWGVACPLSC-UHFFFAOYSA-N 1 2 362.430 1.738 20 5 FDBDLO Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000524639757 539655048 /nfs/dbraw/zinc/65/50/48/539655048.db2.gz VMTXJMJMUBNOTQ-WFASDCNBSA-N 1 2 373.413 1.646 20 5 FDBDLO Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000524639757 539655055 /nfs/dbraw/zinc/65/50/55/539655055.db2.gz VMTXJMJMUBNOTQ-WFASDCNBSA-N 1 2 373.413 1.646 20 5 FDBDLO Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000524639756 539653709 /nfs/dbraw/zinc/65/37/09/539653709.db2.gz VMTXJMJMUBNOTQ-SWLSCSKDSA-N 1 2 373.413 1.646 20 5 FDBDLO Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000524639756 539653714 /nfs/dbraw/zinc/65/37/14/539653714.db2.gz VMTXJMJMUBNOTQ-SWLSCSKDSA-N 1 2 373.413 1.646 20 5 FDBDLO O=C(C[N@@H+](CCO)Cc1cccnc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268643057 180132120 /nfs/dbraw/zinc/13/21/20/180132120.db2.gz HTIJERXGLLRIJH-UHFFFAOYSA-N 1 2 374.353 1.152 20 5 FDBDLO O=C(C[N@H+](CCO)Cc1cccnc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268643057 180132123 /nfs/dbraw/zinc/13/21/23/180132123.db2.gz HTIJERXGLLRIJH-UHFFFAOYSA-N 1 2 374.353 1.152 20 5 FDBDLO CCc1[nH]nc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1[N+](=O)[O-] ZINC000269376810 180287849 /nfs/dbraw/zinc/28/78/49/180287849.db2.gz UFARUVRMUGOYQC-UHFFFAOYSA-N 1 2 360.374 1.673 20 5 FDBDLO Cc1cc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000274843659 181175370 /nfs/dbraw/zinc/17/53/70/181175370.db2.gz UTWXLLMWJHGDPB-CQSZACIVSA-N 1 2 352.391 1.060 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3n[nH]c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000275016023 181218283 /nfs/dbraw/zinc/21/82/83/181218283.db2.gz SKXOTDZXONHTAF-LLVKDONJSA-N 1 2 357.370 1.372 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3n[nH]c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000275016023 181218285 /nfs/dbraw/zinc/21/82/85/181218285.db2.gz SKXOTDZXONHTAF-LLVKDONJSA-N 1 2 357.370 1.372 20 5 FDBDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000275013208 181217837 /nfs/dbraw/zinc/21/78/37/181217837.db2.gz RRNDSDAHQCCWKM-CYBMUJFWSA-N 1 2 355.395 1.017 20 5 FDBDLO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000275013208 181217839 /nfs/dbraw/zinc/21/78/39/181217839.db2.gz RRNDSDAHQCCWKM-CYBMUJFWSA-N 1 2 355.395 1.017 20 5 FDBDLO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1[NH+]1CCCC1 ZINC000275084383 181233822 /nfs/dbraw/zinc/23/38/22/181233822.db2.gz GDOJWIIXQURJTI-ZFWWWQNUSA-N 1 2 351.428 1.952 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000533294199 540227314 /nfs/dbraw/zinc/22/73/14/540227314.db2.gz NUGBYVOFFRIIIS-NEPJUHHUSA-N 1 2 355.416 1.288 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000533294199 540227317 /nfs/dbraw/zinc/22/73/17/540227317.db2.gz NUGBYVOFFRIIIS-NEPJUHHUSA-N 1 2 355.416 1.288 20 5 FDBDLO Cc1cc(N2CC(OCC(=O)N(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000533785273 540286721 /nfs/dbraw/zinc/28/67/21/540286721.db2.gz QHTBRGKKPAGPOX-UHFFFAOYSA-N 1 2 371.397 1.654 20 5 FDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000536043590 540543369 /nfs/dbraw/zinc/54/33/69/540543369.db2.gz JNFUEALVLCXLQS-UHFFFAOYSA-N 1 2 365.353 1.740 20 5 FDBDLO CC[C@H]1C[N@H+](CCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000537293821 540713328 /nfs/dbraw/zinc/71/33/28/540713328.db2.gz IDMKFLCSXFXWBX-HNNXBMFYSA-N 1 2 365.430 1.899 20 5 FDBDLO CC[C@H]1C[N@@H+](CCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000537293821 540713332 /nfs/dbraw/zinc/71/33/32/540713332.db2.gz IDMKFLCSXFXWBX-HNNXBMFYSA-N 1 2 365.430 1.899 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000538743045 540887037 /nfs/dbraw/zinc/88/70/37/540887037.db2.gz UDWJIDNTBRLXPI-HZPDHXFCSA-N 1 2 369.443 1.205 20 5 FDBDLO COc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000541140165 541156592 /nfs/dbraw/zinc/15/65/92/541156592.db2.gz FKPJDLYGLXPUMQ-UHFFFAOYSA-N 1 2 369.337 1.506 20 5 FDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000541126882 541154466 /nfs/dbraw/zinc/15/44/66/541154466.db2.gz DSZIMNQJDCFFFY-UHFFFAOYSA-N 1 2 356.791 1.999 20 5 FDBDLO COCC[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000541577444 541231512 /nfs/dbraw/zinc/23/15/12/541231512.db2.gz AHTAENKFLIFWMN-UHFFFAOYSA-N 1 2 359.224 1.829 20 5 FDBDLO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1noc(Cc2ccccc2)n1 ZINC000542613528 541434258 /nfs/dbraw/zinc/43/42/58/541434258.db2.gz RISKHPBJUKTNPJ-WFASDCNBSA-N 1 2 372.385 1.477 20 5 FDBDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542675572 541445945 /nfs/dbraw/zinc/44/59/45/541445945.db2.gz CDZIJAUYUOIGDP-STQMWFEESA-N 1 2 369.443 1.358 20 5 FDBDLO COc1ccc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000543001092 541517016 /nfs/dbraw/zinc/51/70/16/541517016.db2.gz DMBBHTVCOVSGGX-NSHDSACASA-N 1 2 373.369 1.292 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000543170212 541542270 /nfs/dbraw/zinc/54/22/70/541542270.db2.gz QSBSVCBQGKVTSI-WDEREUQCSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000543170212 541542273 /nfs/dbraw/zinc/54/22/73/541542273.db2.gz QSBSVCBQGKVTSI-WDEREUQCSA-N 1 2 371.415 1.095 20 5 FDBDLO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543476969 541597224 /nfs/dbraw/zinc/59/72/24/541597224.db2.gz KETIBUGYSYDFPK-KRWDZBQOSA-N 1 2 373.409 1.934 20 5 FDBDLO COc1ccccc1COC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000543476969 541597226 /nfs/dbraw/zinc/59/72/26/541597226.db2.gz KETIBUGYSYDFPK-KRWDZBQOSA-N 1 2 373.409 1.934 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000545155803 541883245 /nfs/dbraw/zinc/88/32/45/541883245.db2.gz XVULJHHUCXMMHR-LBPRGKRZSA-N 1 2 353.394 1.848 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000545155803 541883250 /nfs/dbraw/zinc/88/32/50/541883250.db2.gz XVULJHHUCXMMHR-LBPRGKRZSA-N 1 2 353.394 1.848 20 5 FDBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1c1nccn2cnnc12 ZINC000283110254 182109027 /nfs/dbraw/zinc/10/90/27/182109027.db2.gz MJDKWYCECOQVBN-GFCCVEGCSA-N 1 2 371.376 1.882 20 5 FDBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1c1nccn2cnnc12 ZINC000283110254 182109030 /nfs/dbraw/zinc/10/90/30/182109030.db2.gz MJDKWYCECOQVBN-GFCCVEGCSA-N 1 2 371.376 1.882 20 5 FDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286411565 183059403 /nfs/dbraw/zinc/05/94/03/183059403.db2.gz QHVVMYYIEFCKEB-CJNGLKHVSA-N 1 2 374.441 1.786 20 5 FDBDLO COC(=O)c1cnc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286454143 183069552 /nfs/dbraw/zinc/06/95/52/183069552.db2.gz UJKMBMXBGXSDTD-WCQYABFASA-N 1 2 350.375 1.076 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000286786404 183143906 /nfs/dbraw/zinc/14/39/06/183143906.db2.gz OQVPXIQBIOVHKI-GOEBONIOSA-N 1 2 364.402 1.930 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000286786404 183143908 /nfs/dbraw/zinc/14/39/08/183143908.db2.gz OQVPXIQBIOVHKI-GOEBONIOSA-N 1 2 364.402 1.930 20 5 FDBDLO C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000287177484 183228945 /nfs/dbraw/zinc/22/89/45/183228945.db2.gz DVEKUZCRLHGDJK-GJZGRUSLSA-N 1 2 364.446 1.888 20 5 FDBDLO C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000287177488 183229093 /nfs/dbraw/zinc/22/90/93/183229093.db2.gz DVEKUZCRLHGDJK-HUUCEWRRSA-N 1 2 364.446 1.888 20 5 FDBDLO Cc1ccc[nH+]c1CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000295047892 184029499 /nfs/dbraw/zinc/02/94/99/184029499.db2.gz UEAYHHGUDPWYII-UHFFFAOYSA-N 1 2 350.400 1.990 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000295207340 184045445 /nfs/dbraw/zinc/04/54/45/184045445.db2.gz OOQVOTITTAHKLD-UHFFFAOYSA-N 1 2 369.403 1.162 20 5 FDBDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000296560384 184178350 /nfs/dbraw/zinc/17/83/50/184178350.db2.gz CKWRRBNHJZWDEC-CYBMUJFWSA-N 1 2 361.358 1.917 20 5 FDBDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000296560384 184178351 /nfs/dbraw/zinc/17/83/51/184178351.db2.gz CKWRRBNHJZWDEC-CYBMUJFWSA-N 1 2 361.358 1.917 20 5 FDBDLO Cc1nc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000296649875 184187492 /nfs/dbraw/zinc/18/74/92/184187492.db2.gz XINKTOWBQZGHCK-CYBMUJFWSA-N 1 2 362.434 1.216 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OCCO)C2)cccc1[N+](=O)[O-] ZINC000172299009 258272816 /nfs/dbraw/zinc/27/28/16/258272816.db2.gz MCVYYRDCPCMNIT-KGLIPLIRSA-N 1 2 351.403 1.704 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OCCO)C2)cccc1[N+](=O)[O-] ZINC000172299009 258272817 /nfs/dbraw/zinc/27/28/17/258272817.db2.gz MCVYYRDCPCMNIT-KGLIPLIRSA-N 1 2 351.403 1.704 20 5 FDBDLO O=C1[C@@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000548489852 542681776 /nfs/dbraw/zinc/68/17/76/542681776.db2.gz VZFYVHWIAHVCSF-HNNXBMFYSA-N 1 2 355.354 1.254 20 5 FDBDLO O=C1[C@@H]([N@H+]2CCc3n[nH]c(=O)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000548489852 542681778 /nfs/dbraw/zinc/68/17/78/542681778.db2.gz VZFYVHWIAHVCSF-HNNXBMFYSA-N 1 2 355.354 1.254 20 5 FDBDLO O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@H]1CCc2c[nH+]cn2C1 ZINC000553072502 543562994 /nfs/dbraw/zinc/56/29/94/543562994.db2.gz OCHHEGBWVSBXCI-LBPRGKRZSA-N 1 2 352.354 2.383 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000082986069 172200684 /nfs/dbraw/zinc/20/06/84/172200684.db2.gz TYSWZEMLRYNZAX-GFCCVEGCSA-N 1 2 357.794 1.013 20 5 FDBDLO Cc1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc([N+](=O)[O-])c1F ZINC000093019883 172310582 /nfs/dbraw/zinc/31/05/82/172310582.db2.gz FDDMDDRSZADSGM-UHFFFAOYSA-N 1 2 356.379 1.950 20 5 FDBDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101919128 172343648 /nfs/dbraw/zinc/34/36/48/172343648.db2.gz ITYBVEMPNVOOKH-HNNXBMFYSA-N 1 2 363.414 1.828 20 5 FDBDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101919128 172343650 /nfs/dbraw/zinc/34/36/50/172343650.db2.gz ITYBVEMPNVOOKH-HNNXBMFYSA-N 1 2 363.414 1.828 20 5 FDBDLO Cc1nn(CCC(=O)NCc2cccnc2-n2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000116652230 172674657 /nfs/dbraw/zinc/67/46/57/172674657.db2.gz LLMGPAINQPUJCR-UHFFFAOYSA-N 1 2 369.385 1.695 20 5 FDBDLO Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000125378497 173003419 /nfs/dbraw/zinc/00/34/19/173003419.db2.gz ISZBDWPFCRTBQI-CQSZACIVSA-N 1 2 367.369 1.886 20 5 FDBDLO O=C(C[NH+]1CCC(N2CCCNC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000135442184 173345140 /nfs/dbraw/zinc/34/51/40/173345140.db2.gz IEZYMWBZIOJMJY-UHFFFAOYSA-N 1 2 361.402 1.413 20 5 FDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000150734233 173378827 /nfs/dbraw/zinc/37/88/27/173378827.db2.gz UXQDAMCFJSGHIF-LLVKDONJSA-N 1 2 352.347 1.201 20 5 FDBDLO O=C(NC1CCCCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176205299 174057488 /nfs/dbraw/zinc/05/74/88/174057488.db2.gz YAOWREACDSRNPZ-UHFFFAOYSA-N 1 2 350.423 1.451 20 5 FDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000177376476 174125835 /nfs/dbraw/zinc/12/58/35/174125835.db2.gz BZYSZVCWFKTMRU-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000182205589 177507715 /nfs/dbraw/zinc/50/77/15/177507715.db2.gz YJOZIFCXKPYHCK-UHFFFAOYSA-N 1 2 367.471 1.929 20 5 FDBDLO C[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)Cn1cc[nH+]c1 ZINC000183180106 177560149 /nfs/dbraw/zinc/56/01/49/177560149.db2.gz QDGFGARCXSYKLQ-LRDDRELGSA-N 1 2 357.370 1.737 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179508641 258352375 /nfs/dbraw/zinc/35/23/75/258352375.db2.gz CBNIDASSZCJKHT-CYBMUJFWSA-N 1 2 358.402 1.632 20 5 FDBDLO COc1ccc(CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000554580070 543828485 /nfs/dbraw/zinc/82/84/85/543828485.db2.gz AEIYYJIYLSPHEP-HNNXBMFYSA-N 1 2 356.382 1.714 20 5 FDBDLO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000559283333 544626583 /nfs/dbraw/zinc/62/65/83/544626583.db2.gz RPZKBVKIBQOQDT-TYNCELHUSA-N 1 2 352.387 1.646 20 5 FDBDLO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000559283333 544626587 /nfs/dbraw/zinc/62/65/87/544626587.db2.gz RPZKBVKIBQOQDT-TYNCELHUSA-N 1 2 352.387 1.646 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000299419048 258996096 /nfs/dbraw/zinc/99/60/96/258996096.db2.gz TUMJCWJWQVSOQC-UHFFFAOYSA-N 1 2 373.413 1.248 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299513725 259002859 /nfs/dbraw/zinc/00/28/59/259002859.db2.gz KBRHVUPKIXVTIY-GFCCVEGCSA-N 1 2 371.397 1.842 20 5 FDBDLO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000299700349 259017416 /nfs/dbraw/zinc/01/74/16/259017416.db2.gz OXSHZOXAMIYGDF-MRXNPFEDSA-N 1 2 353.375 1.863 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)c[nH+]2)C[C@H](C)O1 ZINC000301095837 259020954 /nfs/dbraw/zinc/02/09/54/259020954.db2.gz MRGTWIPMBFYOSU-PHIMTYICSA-N 1 2 359.390 1.588 20 5 FDBDLO Cc1ccnc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301307569 259025423 /nfs/dbraw/zinc/02/54/23/259025423.db2.gz VRHOLEMLJBSVKV-CQSZACIVSA-N 1 2 361.446 1.868 20 5 FDBDLO C[NH+](C)C1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301891284 259035222 /nfs/dbraw/zinc/03/52/22/259035222.db2.gz LXTCRCZCZSCKMN-UHFFFAOYSA-N 1 2 353.322 1.639 20 5 FDBDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000327095558 259049880 /nfs/dbraw/zinc/04/98/80/259049880.db2.gz JLHAUJRLBYYZOW-UHFFFAOYSA-N 1 2 368.821 1.484 20 5 FDBDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000327095558 259049881 /nfs/dbraw/zinc/04/98/81/259049881.db2.gz JLHAUJRLBYYZOW-UHFFFAOYSA-N 1 2 368.821 1.484 20 5 FDBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000330656405 259155836 /nfs/dbraw/zinc/15/58/36/259155836.db2.gz NPHRUGDOEGKOJI-LBPRGKRZSA-N 1 2 361.377 1.986 20 5 FDBDLO CN(C(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000330859640 259165855 /nfs/dbraw/zinc/16/58/55/259165855.db2.gz KHTZSOCVLIVMNK-AWEZNQCLSA-N 1 2 361.320 1.947 20 5 FDBDLO CN(C(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000330859640 259165856 /nfs/dbraw/zinc/16/58/56/259165856.db2.gz KHTZSOCVLIVMNK-AWEZNQCLSA-N 1 2 361.320 1.947 20 5 FDBDLO CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1[NH+]1CCOCC1 ZINC000331063169 259175254 /nfs/dbraw/zinc/17/52/54/259175254.db2.gz OQENHJJKWQKKFQ-BBRMVZONSA-N 1 2 363.414 1.786 20 5 FDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000332369361 259261130 /nfs/dbraw/zinc/26/11/30/259261130.db2.gz AFKFVMNYNPAHKS-AWEZNQCLSA-N 1 2 367.471 1.851 20 5 FDBDLO CSc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000363710738 259648348 /nfs/dbraw/zinc/64/83/48/259648348.db2.gz OPNJKBRYBAPTOI-CYBMUJFWSA-N 1 2 351.428 1.863 20 5 FDBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)COCC(F)(F)F)C2)cc1 ZINC000366308177 259926134 /nfs/dbraw/zinc/92/61/34/259926134.db2.gz IFHGCLARHFIHTN-LLVKDONJSA-N 1 2 350.293 1.598 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367258095 260017088 /nfs/dbraw/zinc/01/70/88/260017088.db2.gz BDKIBHMNIRDVNZ-OAHLLOKOSA-N 1 2 360.345 1.681 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368100652 260135253 /nfs/dbraw/zinc/13/52/53/260135253.db2.gz QPIYEKQOARWZGG-MWLCHTKSSA-N 1 2 352.778 1.255 20 5 FDBDLO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368100652 260135255 /nfs/dbraw/zinc/13/52/55/260135255.db2.gz QPIYEKQOARWZGG-MWLCHTKSSA-N 1 2 352.778 1.255 20 5 FDBDLO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCn2c[nH+]cc2C1 ZINC000368317237 260165681 /nfs/dbraw/zinc/16/56/81/260165681.db2.gz MILMRROHYCPOEE-UHFFFAOYSA-N 1 2 352.148 1.605 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000368625764 260211862 /nfs/dbraw/zinc/21/18/62/260211862.db2.gz ZYEYNWFRGWDUAA-GFCCVEGCSA-N 1 2 357.370 1.030 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000368625764 260211863 /nfs/dbraw/zinc/21/18/63/260211863.db2.gz ZYEYNWFRGWDUAA-GFCCVEGCSA-N 1 2 357.370 1.030 20 5 FDBDLO CCOc1cccc(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1[N+](=O)[O-] ZINC000368843292 260246715 /nfs/dbraw/zinc/24/67/15/260246715.db2.gz PIFACMHCWXFKAK-UHFFFAOYSA-N 1 2 362.430 1.914 20 5 FDBDLO CN(C(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000368877305 260253698 /nfs/dbraw/zinc/25/36/98/260253698.db2.gz PEGXZOUDZHEUSN-WQVCFCJDSA-N 1 2 360.414 1.676 20 5 FDBDLO CN(C(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000368877305 260253699 /nfs/dbraw/zinc/25/36/99/260253699.db2.gz PEGXZOUDZHEUSN-WQVCFCJDSA-N 1 2 360.414 1.676 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000369042192 260285111 /nfs/dbraw/zinc/28/51/11/260285111.db2.gz SVAFCJYXNCOUAP-HNNXBMFYSA-N 1 2 368.777 1.761 20 5 FDBDLO O=C(C[N@H+]1CCC[C@]2(CNC(=O)O2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000369042192 260285113 /nfs/dbraw/zinc/28/51/13/260285113.db2.gz SVAFCJYXNCOUAP-HNNXBMFYSA-N 1 2 368.777 1.761 20 5 FDBDLO CCOC(=O)c1ccnc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000371106770 260659465 /nfs/dbraw/zinc/65/94/65/260659465.db2.gz LXLYZIQPBNSEPE-GFCCVEGCSA-N 1 2 350.375 1.077 20 5 FDBDLO Cc1c(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000374331413 261111844 /nfs/dbraw/zinc/11/18/44/261111844.db2.gz KXWIQOOXHSSYKN-GFCCVEGCSA-N 1 2 357.370 1.591 20 5 FDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374376072 261119939 /nfs/dbraw/zinc/11/99/39/261119939.db2.gz VGCAEVHUBAKUOT-ZDUSSCGKSA-N 1 2 356.338 1.505 20 5 FDBDLO CNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000375241345 261295522 /nfs/dbraw/zinc/29/55/22/261295522.db2.gz ZRDKKIPWJLOIPI-WYMLVPIESA-N 1 2 360.414 1.278 20 5 FDBDLO CNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000375241345 261295524 /nfs/dbraw/zinc/29/55/24/261295524.db2.gz ZRDKKIPWJLOIPI-WYMLVPIESA-N 1 2 360.414 1.278 20 5 FDBDLO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375652230 261390525 /nfs/dbraw/zinc/39/05/25/261390525.db2.gz KJKSPCQXLMXQHN-AWEZNQCLSA-N 1 2 362.430 1.543 20 5 FDBDLO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375652230 261390526 /nfs/dbraw/zinc/39/05/26/261390526.db2.gz KJKSPCQXLMXQHN-AWEZNQCLSA-N 1 2 362.430 1.543 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000378619946 262055284 /nfs/dbraw/zinc/05/52/84/262055284.db2.gz VXIULMPNGWWPLN-MLGOLLRUSA-N 1 2 369.381 1.837 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]21 ZINC000408021772 262070935 /nfs/dbraw/zinc/07/09/35/262070935.db2.gz JDVQEUILMLKTHA-HZPDHXFCSA-N 1 2 356.382 1.688 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@H]21 ZINC000408021772 262070937 /nfs/dbraw/zinc/07/09/37/262070937.db2.gz JDVQEUILMLKTHA-HZPDHXFCSA-N 1 2 356.382 1.688 20 5 FDBDLO Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000018214008 518796481 /nfs/dbraw/zinc/79/64/81/518796481.db2.gz RBCJVRNGEGRRQP-UHFFFAOYSA-N 1 2 370.409 1.939 20 5 FDBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000025717560 519078688 /nfs/dbraw/zinc/07/86/88/519078688.db2.gz BWEKNZSBYNCFEK-UHFFFAOYSA-N 1 2 363.337 1.753 20 5 FDBDLO CCOC(=O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000027342792 519169437 /nfs/dbraw/zinc/16/94/37/519169437.db2.gz IWPXJCGDZJJKGM-UHFFFAOYSA-N 1 2 361.398 1.759 20 5 FDBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000028482913 519239167 /nfs/dbraw/zinc/23/91/67/519239167.db2.gz AZHBVEZBVLNHCN-QGZVFWFLSA-N 1 2 373.413 1.289 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000029842547 519324656 /nfs/dbraw/zinc/32/46/56/519324656.db2.gz DGOAZMNJLBLBKP-UHFFFAOYSA-N 1 2 359.386 1.422 20 5 FDBDLO COc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000032935128 519553746 /nfs/dbraw/zinc/55/37/46/519553746.db2.gz PARAXWDIOCFRTG-OAHLLOKOSA-N 1 2 351.403 1.690 20 5 FDBDLO O=C(CN1CC[NH+](Cc2ccco2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042540190 519694964 /nfs/dbraw/zinc/69/49/64/519694964.db2.gz ZSWRFYXRWJUMPD-UHFFFAOYSA-N 1 2 370.409 1.895 20 5 FDBDLO CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057137831 522009632 /nfs/dbraw/zinc/00/96/32/522009632.db2.gz KDYABJMBIWLSRX-UHFFFAOYSA-N 1 2 360.336 1.872 20 5 FDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045076388 522033924 /nfs/dbraw/zinc/03/39/24/522033924.db2.gz JWKCQSNGFJLOKL-UHFFFAOYSA-N 1 2 357.370 1.460 20 5 FDBDLO CCOc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000057531338 522104042 /nfs/dbraw/zinc/10/40/42/522104042.db2.gz WUFFCTVJNLQCCO-HNNXBMFYSA-N 1 2 363.414 1.930 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000072768200 522376599 /nfs/dbraw/zinc/37/65/99/522376599.db2.gz WFNPQVXZSAOTDG-OAHLLOKOSA-N 1 2 362.430 1.638 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000072768200 522376606 /nfs/dbraw/zinc/37/66/06/522376606.db2.gz WFNPQVXZSAOTDG-OAHLLOKOSA-N 1 2 362.430 1.638 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000072768200 522376610 /nfs/dbraw/zinc/37/66/10/522376610.db2.gz WFNPQVXZSAOTDG-OAHLLOKOSA-N 1 2 362.430 1.638 20 5 FDBDLO COc1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000047161943 522463006 /nfs/dbraw/zinc/46/30/06/522463006.db2.gz IKMXLAFGRCYHDY-LLVKDONJSA-N 1 2 353.375 1.063 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000047186867 522466497 /nfs/dbraw/zinc/46/64/97/522466497.db2.gz HQKLCFFPXDJKNC-LBPRGKRZSA-N 1 2 371.397 1.727 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000271602419 674359341 /nfs/dbraw/zinc/35/93/41/674359341.db2.gz TYUMPDRQBUSDFE-CYBMUJFWSA-N 1 2 352.416 1.135 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271602419 674359343 /nfs/dbraw/zinc/35/93/43/674359343.db2.gz TYUMPDRQBUSDFE-CYBMUJFWSA-N 1 2 352.416 1.135 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000064241073 522686982 /nfs/dbraw/zinc/68/69/82/522686982.db2.gz ODUNRXOURQBJGU-UHFFFAOYSA-N 1 2 354.413 1.562 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000048939770 522796720 /nfs/dbraw/zinc/79/67/20/522796720.db2.gz MELQLICFTYMCKT-UHFFFAOYSA-N 1 2 353.338 1.806 20 5 FDBDLO CC(C)(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000065716824 522867136 /nfs/dbraw/zinc/86/71/36/522867136.db2.gz JHWOMOIRNQKGOL-UHFFFAOYSA-N 1 2 360.414 1.777 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000065842193 522900755 /nfs/dbraw/zinc/90/07/55/522900755.db2.gz JVNJOVAJMVNNGY-UHFFFAOYSA-N 1 2 354.370 1.661 20 5 FDBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc[nH+]c1N1CCOCC1 ZINC000065865836 522905846 /nfs/dbraw/zinc/90/58/46/522905846.db2.gz RMTYMDQMMFMKKD-UHFFFAOYSA-N 1 2 371.397 1.555 20 5 FDBDLO Cc1nc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000065977905 522932320 /nfs/dbraw/zinc/93/23/20/522932320.db2.gz NEOGOAFCLKBGMQ-UHFFFAOYSA-N 1 2 356.429 1.428 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000050993507 522959629 /nfs/dbraw/zinc/95/96/29/522959629.db2.gz KAZQSZALQLKEEX-UHFFFAOYSA-N 1 2 350.375 1.142 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000050991667 522959675 /nfs/dbraw/zinc/95/96/75/522959675.db2.gz YICCDHJWBDQGKC-NSHDSACASA-N 1 2 364.402 1.531 20 5 FDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051422941 523020142 /nfs/dbraw/zinc/02/01/42/523020142.db2.gz CXVXBLPRPWRRNJ-AWEZNQCLSA-N 1 2 364.446 1.636 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)NC1CC1 ZINC000051425351 523021167 /nfs/dbraw/zinc/02/11/67/523021167.db2.gz KXPUVXSKENJUCE-UHFFFAOYSA-N 1 2 355.398 1.544 20 5 FDBDLO CN(C)c1[nH+]cccc1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067137110 523332809 /nfs/dbraw/zinc/33/28/09/523332809.db2.gz HJSPHSAFCWPGAQ-UHFFFAOYSA-N 1 2 367.369 1.567 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000053282039 523389987 /nfs/dbraw/zinc/38/99/87/523389987.db2.gz YPRKHJHENGWJCU-UHFFFAOYSA-N 1 2 361.402 1.331 20 5 FDBDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000067546194 523489578 /nfs/dbraw/zinc/48/95/78/523489578.db2.gz JOWZSXYMUXDTPL-UHFFFAOYSA-N 1 2 374.344 1.992 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053810301 523516973 /nfs/dbraw/zinc/51/69/73/523516973.db2.gz RXZDVGQUFBDUBK-CYBMUJFWSA-N 1 2 373.413 1.446 20 5 FDBDLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054394516 523634557 /nfs/dbraw/zinc/63/45/57/523634557.db2.gz ZXEGMNOGQAZFQO-GFCCVEGCSA-N 1 2 365.386 1.960 20 5 FDBDLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054394516 523634569 /nfs/dbraw/zinc/63/45/69/523634569.db2.gz ZXEGMNOGQAZFQO-GFCCVEGCSA-N 1 2 365.386 1.960 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000078868285 523661188 /nfs/dbraw/zinc/66/11/88/523661188.db2.gz OBEODBXZMKIPFN-UHFFFAOYSA-N 1 2 364.427 1.790 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2NCCO)c1 ZINC000079317138 523736577 /nfs/dbraw/zinc/73/65/77/523736577.db2.gz YJHZNFCIUJPKLY-AWEZNQCLSA-N 1 2 372.381 1.789 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000079917548 523806396 /nfs/dbraw/zinc/80/63/96/523806396.db2.gz ZQBHMKCSQCYRDM-UHFFFAOYSA-N 1 2 358.402 1.902 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000079917548 523806403 /nfs/dbraw/zinc/80/64/03/523806403.db2.gz ZQBHMKCSQCYRDM-UHFFFAOYSA-N 1 2 358.402 1.902 20 5 FDBDLO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000080067650 523828432 /nfs/dbraw/zinc/82/84/32/523828432.db2.gz HEXKDCLWGSTSLG-KGLIPLIRSA-N 1 2 350.419 1.256 20 5 FDBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110958322 524173000 /nfs/dbraw/zinc/17/30/00/524173000.db2.gz DUAUYNIJMDUTEY-MRXNPFEDSA-N 1 2 363.414 1.687 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000121317722 524221508 /nfs/dbraw/zinc/22/15/08/524221508.db2.gz OXOJYYJYNDJQNB-JTQLQIEISA-N 1 2 354.363 1.532 20 5 FDBDLO O=C(C[NH+]1CCC(c2nc[nH]n2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000083442567 524255222 /nfs/dbraw/zinc/25/52/22/524255222.db2.gz WJWARRQOIOVMBP-UHFFFAOYSA-N 1 2 356.386 1.482 20 5 FDBDLO CC(C)(CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+]1CCOCC1 ZINC000121537302 524286580 /nfs/dbraw/zinc/28/65/80/524286580.db2.gz PDZGNAHGBIZQME-UHFFFAOYSA-N 1 2 362.430 1.773 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000158062110 524394048 /nfs/dbraw/zinc/39/40/48/524394048.db2.gz WWGZJTRNEJIQJI-AWEZNQCLSA-N 1 2 370.475 1.065 20 5 FDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173533816 524412280 /nfs/dbraw/zinc/41/22/80/524412280.db2.gz ZEIDHZUSBRGREC-NSHDSACASA-N 1 2 357.819 1.883 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000122703971 524596866 /nfs/dbraw/zinc/59/68/66/524596866.db2.gz WLTREGFXMWFBJT-KGLIPLIRSA-N 1 2 371.459 1.369 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000122703971 524596873 /nfs/dbraw/zinc/59/68/73/524596873.db2.gz WLTREGFXMWFBJT-KGLIPLIRSA-N 1 2 371.459 1.369 20 5 FDBDLO COCC[NH+]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000175068623 524861454 /nfs/dbraw/zinc/86/14/54/524861454.db2.gz GXQKAXOBZLYCDS-UHFFFAOYSA-N 1 2 357.432 1.164 20 5 FDBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3C[NH+]3CCOCC3)cc2N1 ZINC000160405572 524879992 /nfs/dbraw/zinc/87/99/92/524879992.db2.gz RVBDPIUQHQCABK-CQSZACIVSA-N 1 2 360.414 1.781 20 5 FDBDLO CCc1nn(C)c(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000092827534 524921063 /nfs/dbraw/zinc/92/10/63/524921063.db2.gz JCIVZWRFJKVNAU-UHFFFAOYSA-N 1 2 364.450 1.025 20 5 FDBDLO CS[C@H](CO)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152553723 524922648 /nfs/dbraw/zinc/92/26/48/524922648.db2.gz MJBCZNQNAHCCQH-IINYFYTJSA-N 1 2 350.400 1.623 20 5 FDBDLO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161378564 525096126 /nfs/dbraw/zinc/09/61/26/525096126.db2.gz ICILWDXQMKGSQP-NSHDSACASA-N 1 2 353.342 1.778 20 5 FDBDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153114467 525109539 /nfs/dbraw/zinc/10/95/39/525109539.db2.gz OUUJLCXOMOFHDB-SECBINFHSA-N 1 2 374.319 1.730 20 5 FDBDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153114467 525109544 /nfs/dbraw/zinc/10/95/44/525109544.db2.gz OUUJLCXOMOFHDB-SECBINFHSA-N 1 2 374.319 1.730 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000117369788 525330965 /nfs/dbraw/zinc/33/09/65/525330965.db2.gz ODKKISXIQXRUCE-CQSZACIVSA-N 1 2 371.459 1.553 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000117369788 525330969 /nfs/dbraw/zinc/33/09/69/525330969.db2.gz ODKKISXIQXRUCE-CQSZACIVSA-N 1 2 371.459 1.553 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000126739798 525347756 /nfs/dbraw/zinc/34/77/56/525347756.db2.gz SPWVUJPVFUZWHQ-HNNXBMFYSA-N 1 2 362.430 1.273 20 5 FDBDLO COCCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000117870640 525405245 /nfs/dbraw/zinc/40/52/45/525405245.db2.gz SPUFAOSFLYSGKS-UHFFFAOYSA-N 1 2 357.432 1.328 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000166097736 525572208 /nfs/dbraw/zinc/57/22/08/525572208.db2.gz 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ZINC000482938583 538657912 /nfs/dbraw/zinc/65/79/12/538657912.db2.gz FWRWVALXCYRXAB-LLVKDONJSA-N 1 2 361.358 1.195 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000496944509 538719831 /nfs/dbraw/zinc/71/98/31/538719831.db2.gz LOOJRCJOHCHQKS-LBPRGKRZSA-N 1 2 357.326 1.313 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000496944509 538719839 /nfs/dbraw/zinc/71/98/39/538719839.db2.gz LOOJRCJOHCHQKS-LBPRGKRZSA-N 1 2 357.326 1.313 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000476196553 538860600 /nfs/dbraw/zinc/86/06/00/538860600.db2.gz CUWGSPYGPJDZDV-GFCCVEGCSA-N 1 2 365.386 1.313 20 5 FDBDLO O=C(NCCOC[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000562520026 546165428 /nfs/dbraw/zinc/16/54/28/546165428.db2.gz BLMNZGNCYGMQCK-CQSZACIVSA-N 1 2 360.370 1.706 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000562996478 546347525 /nfs/dbraw/zinc/34/75/25/546347525.db2.gz JXZQIZWNGYEWKK-AWEZNQCLSA-N 1 2 350.400 1.759 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000562996478 546347528 /nfs/dbraw/zinc/34/75/28/546347528.db2.gz JXZQIZWNGYEWKK-AWEZNQCLSA-N 1 2 350.400 1.759 20 5 FDBDLO CCOc1cc(N2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000569410543 548907701 /nfs/dbraw/zinc/90/77/01/548907701.db2.gz UJYKWEMGVJFCDG-MRXNPFEDSA-N 1 2 362.430 1.736 20 5 FDBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCN1S(C)(=O)=O ZINC000573215765 550089535 /nfs/dbraw/zinc/08/95/35/550089535.db2.gz PGDLKUCIOGTUBE-NSHDSACASA-N 1 2 350.400 1.613 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(N3CN=NC3=O)CC2)cccc1[N+](=O)[O-] ZINC000575813082 550478773 /nfs/dbraw/zinc/47/87/73/550478773.db2.gz VNMROLOLDSYIAJ-LBPRGKRZSA-N 1 2 374.401 1.864 20 5 FDBDLO CCOC1CC(CNc2c([N+](=O)[O-])nc(C)n2CC)([NH+]2CCOCC2)C1 ZINC000579275920 550855162 /nfs/dbraw/zinc/85/51/62/550855162.db2.gz VGOFUMXJZDHFNW-UHFFFAOYSA-N 1 2 367.450 1.801 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000579722374 550903885 /nfs/dbraw/zinc/90/38/85/550903885.db2.gz HRHRIGKXVQNSJA-SWLSCSKDSA-N 1 2 372.425 1.869 20 5 FDBDLO C[C@@H](CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000581313846 551075253 /nfs/dbraw/zinc/07/52/53/551075253.db2.gz UEHGTJQOLIWSHA-LBPRGKRZSA-N 1 2 366.399 1.333 20 5 FDBDLO CC(C)(C)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000583646204 551381776 /nfs/dbraw/zinc/38/17/76/551381776.db2.gz KQIJDKMGLZZTRY-UHFFFAOYSA-N 1 2 359.386 1.844 20 5 FDBDLO O=c1[nH]nc([C@H]2CCC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)o1 ZINC000585717007 551586674 /nfs/dbraw/zinc/58/66/74/551586674.db2.gz HYHHWILCVAPQIB-FZMZJTMJSA-N 1 2 373.369 1.668 20 5 FDBDLO O=c1[nH]nc([C@H]2CCC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)o1 ZINC000585717007 551586677 /nfs/dbraw/zinc/58/66/77/551586677.db2.gz HYHHWILCVAPQIB-FZMZJTMJSA-N 1 2 373.369 1.668 20 5 FDBDLO O=C1N=NC([C@H]2CCC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)O1 ZINC000585717007 551586679 /nfs/dbraw/zinc/58/66/79/551586679.db2.gz HYHHWILCVAPQIB-FZMZJTMJSA-N 1 2 373.369 1.668 20 5 FDBDLO O=C1N=NC([C@H]2CCC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)O1 ZINC000585717007 551586683 /nfs/dbraw/zinc/58/66/83/551586683.db2.gz HYHHWILCVAPQIB-FZMZJTMJSA-N 1 2 373.369 1.668 20 5 FDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587045352 551629802 /nfs/dbraw/zinc/62/98/02/551629802.db2.gz MYGLJQJRTPZUIA-LBPRGKRZSA-N 1 2 352.354 1.722 20 5 FDBDLO Cc1c(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000588777540 551686378 /nfs/dbraw/zinc/68/63/78/551686378.db2.gz GVTDJGWXMPZPQU-HNNXBMFYSA-N 1 2 371.397 1.580 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000590557585 551792430 /nfs/dbraw/zinc/79/24/30/551792430.db2.gz UATRTADYGHUHGO-GFCCVEGCSA-N 1 2 365.386 1.218 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000590557585 551792431 /nfs/dbraw/zinc/79/24/31/551792431.db2.gz UATRTADYGHUHGO-GFCCVEGCSA-N 1 2 365.386 1.218 20 5 FDBDLO Nc1ccc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000590568790 551793515 /nfs/dbraw/zinc/79/35/15/551793515.db2.gz LMGKEBMQEGJWHE-HNNXBMFYSA-N 1 2 361.377 2.197 20 5 FDBDLO CCOC(=O)Cc1ccc(NC[C@@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000591908200 551915500 /nfs/dbraw/zinc/91/55/00/551915500.db2.gz XYXDWSAXXDHDGI-CQSZACIVSA-N 1 2 364.446 1.748 20 5 FDBDLO CCOC(=O)Cc1ccc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000591937041 551918630 /nfs/dbraw/zinc/91/86/30/551918630.db2.gz QFZVQEBOEBJCSB-UHFFFAOYSA-N 1 2 363.414 1.977 20 5 FDBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593476159 552114753 /nfs/dbraw/zinc/11/47/53/552114753.db2.gz RYWFGVSYCKJNRY-ZDUSSCGKSA-N 1 2 370.413 1.778 20 5 FDBDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593585413 552144027 /nfs/dbraw/zinc/14/40/27/552144027.db2.gz MFEPHXVZBVLZPN-UHFFFAOYSA-N 1 2 367.431 1.850 20 5 FDBDLO CC1(C)CC[N@H+](CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594339471 552291845 /nfs/dbraw/zinc/29/18/45/552291845.db2.gz POCPBENBINUUJY-UHFFFAOYSA-N 1 2 369.443 1.217 20 5 FDBDLO CC1(C)CC[N@@H+](CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594339471 552291848 /nfs/dbraw/zinc/29/18/48/552291848.db2.gz POCPBENBINUUJY-UHFFFAOYSA-N 1 2 369.443 1.217 20 5 FDBDLO O=[N+]([O-])c1ccc(-n2cc(Cn3cc[nH+]c3CN3CCOCC3)nn2)cc1 ZINC000594640223 552347878 /nfs/dbraw/zinc/34/78/78/552347878.db2.gz IYBWDHGGOACGQW-UHFFFAOYSA-N 1 2 369.385 1.253 20 5 FDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594742990 552368293 /nfs/dbraw/zinc/36/82/93/552368293.db2.gz DETXSUMWYROWPV-CQSZACIVSA-N 1 2 362.411 1.543 20 5 FDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594742990 552368297 /nfs/dbraw/zinc/36/82/97/552368297.db2.gz DETXSUMWYROWPV-CQSZACIVSA-N 1 2 362.411 1.543 20 5 FDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000594767493 552377087 /nfs/dbraw/zinc/37/70/87/552377087.db2.gz LKPWENQOCMOEAH-UHFFFAOYSA-N 1 2 365.293 1.227 20 5 FDBDLO C[C@H]1C[N@H+](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000594818713 552397604 /nfs/dbraw/zinc/39/76/04/552397604.db2.gz YQCUWDAPEVNJPP-KBPBESRZSA-N 1 2 371.459 1.166 20 5 FDBDLO C[C@H]1C[N@@H+](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000594818713 552397606 /nfs/dbraw/zinc/39/76/06/552397606.db2.gz YQCUWDAPEVNJPP-KBPBESRZSA-N 1 2 371.459 1.166 20 5 FDBDLO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000594956616 552427070 /nfs/dbraw/zinc/42/70/70/552427070.db2.gz KEGJEXZJDMFCDS-JQWIXIFHSA-N 1 2 361.358 1.534 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000595660256 552598831 /nfs/dbraw/zinc/59/88/31/552598831.db2.gz CLVFNGHXLCJNFO-INIZCTEOSA-N 1 2 353.375 1.015 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000595660256 552598832 /nfs/dbraw/zinc/59/88/32/552598832.db2.gz CLVFNGHXLCJNFO-INIZCTEOSA-N 1 2 353.375 1.015 20 5 FDBDLO CCOC(=O)C12CC(C1)C[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595859733 552624626 /nfs/dbraw/zinc/62/46/26/552624626.db2.gz AXXXDODRVSFHSU-KDJCLPLCSA-N 1 2 350.371 1.362 20 5 FDBDLO CCOC(=O)C12CC(C1)C[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595859733 552624627 /nfs/dbraw/zinc/62/46/27/552624627.db2.gz AXXXDODRVSFHSU-KDJCLPLCSA-N 1 2 350.371 1.362 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000596187092 552662990 /nfs/dbraw/zinc/66/29/90/552662990.db2.gz MSWTULAKGUWEJF-KGLIPLIRSA-N 1 2 350.419 1.546 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000596187092 552662991 /nfs/dbraw/zinc/66/29/91/552662991.db2.gz MSWTULAKGUWEJF-KGLIPLIRSA-N 1 2 350.419 1.546 20 5 FDBDLO CCOc1cc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000596196751 552663777 /nfs/dbraw/zinc/66/37/77/552663777.db2.gz AXCCXCBBLFBDQM-UHFFFAOYSA-N 1 2 366.399 1.978 20 5 FDBDLO O=[N+]([O-])c1ncccc1NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596514760 552685319 /nfs/dbraw/zinc/68/53/19/552685319.db2.gz JQYZEVSDXHMELH-GOSISDBHSA-N 1 2 358.398 1.665 20 5 FDBDLO O=[N+]([O-])c1ncccc1NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596514760 552685320 /nfs/dbraw/zinc/68/53/20/552685320.db2.gz JQYZEVSDXHMELH-GOSISDBHSA-N 1 2 358.398 1.665 20 5 FDBDLO O=c1[nH]ccc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596515596 552685325 /nfs/dbraw/zinc/68/53/25/552685325.db2.gz OIPGKKHBVIKODV-SFHVURJKSA-N 1 2 374.397 1.371 20 5 FDBDLO O=c1[nH]ccc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596515596 552685327 /nfs/dbraw/zinc/68/53/27/552685327.db2.gz OIPGKKHBVIKODV-SFHVURJKSA-N 1 2 374.397 1.371 20 5 FDBDLO Nc1c(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597099253 552746720 /nfs/dbraw/zinc/74/67/20/552746720.db2.gz 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/nfs/dbraw/zinc/27/33/33/258273333.db2.gz MCVYYRDCPCMNIT-KBPBESRZSA-N 1 2 351.403 1.704 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OCCO)C2)cccc1[N+](=O)[O-] ZINC000172299013 258273334 /nfs/dbraw/zinc/27/33/34/258273334.db2.gz MCVYYRDCPCMNIT-KBPBESRZSA-N 1 2 351.403 1.704 20 5 FDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000172744936 258283768 /nfs/dbraw/zinc/28/37/68/258283768.db2.gz SZMWVZVGOWTRRX-UHFFFAOYSA-N 1 2 356.382 1.685 20 5 FDBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057128214 136128265 /nfs/dbraw/zinc/12/82/65/136128265.db2.gz HQMACKOFFSPFSM-UHFFFAOYSA-N 1 2 360.336 1.824 20 5 FDBDLO Cc1ccc2[nH+]c(CNC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000551825276 543346763 /nfs/dbraw/zinc/34/67/63/543346763.db2.gz CFTQXJGQYYAAEZ-UHFFFAOYSA-N 1 2 353.338 1.806 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000552157770 543427257 /nfs/dbraw/zinc/42/72/57/543427257.db2.gz BNCHZEDCZWOVDT-LLVKDONJSA-N 1 2 362.361 1.518 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552711178 543506967 /nfs/dbraw/zinc/50/69/67/543506967.db2.gz MFVUIASVBBGYKD-UHFFFAOYSA-N 1 2 369.337 1.506 20 5 FDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553100968 543569434 /nfs/dbraw/zinc/56/94/34/543569434.db2.gz INOFDSWAZUFHIU-UHFFFAOYSA-N 1 2 353.338 1.540 20 5 FDBDLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000080482760 172173358 /nfs/dbraw/zinc/17/33/58/172173358.db2.gz LVBKHXDEQITUDS-UHFFFAOYSA-N 1 2 354.382 1.499 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000080826256 172177913 /nfs/dbraw/zinc/17/79/13/172177913.db2.gz XUINERFIBSLIAP-UHFFFAOYSA-N 1 2 369.443 1.389 20 5 FDBDLO Cc1nn(CCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000080911998 172179018 /nfs/dbraw/zinc/17/90/18/172179018.db2.gz NPMURBZQOYDCRE-HNNXBMFYSA-N 1 2 365.434 1.121 20 5 FDBDLO Cc1nc(CN2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)oc1C ZINC000090526675 172265588 /nfs/dbraw/zinc/26/55/88/172265588.db2.gz UKVNHXFEVGNFLA-UHFFFAOYSA-N 1 2 361.402 1.179 20 5 FDBDLO Cc1ccc(C(=O)N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000090553125 172266804 /nfs/dbraw/zinc/26/68/04/172266804.db2.gz FFFQSVPCRBSGJI-UHFFFAOYSA-N 1 2 370.409 1.523 20 5 FDBDLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cn1 ZINC000097127529 172327127 /nfs/dbraw/zinc/32/71/27/172327127.db2.gz QIOIUPZUBNAEBE-UHFFFAOYSA-N 1 2 354.326 1.102 20 5 FDBDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129648336 173145824 /nfs/dbraw/zinc/14/58/24/173145824.db2.gz ADPZKVAMXPICKR-UHFFFAOYSA-N 1 2 363.349 1.515 20 5 FDBDLO COCCCS(=O)(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000132112779 173222760 /nfs/dbraw/zinc/22/27/60/173222760.db2.gz ITZSHEJLNZFJCX-UHFFFAOYSA-N 1 2 371.459 1.121 20 5 FDBDLO CNS(=O)(=O)c1ccc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000133053349 173251993 /nfs/dbraw/zinc/25/19/93/173251993.db2.gz RUXQZNAZEPYOAT-UHFFFAOYSA-N 1 2 353.404 1.226 20 5 FDBDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134587694 173328614 /nfs/dbraw/zinc/32/86/14/173328614.db2.gz YXTKPUQFSGTXAB-UHFFFAOYSA-N 1 2 368.821 1.484 20 5 FDBDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134587694 173328616 /nfs/dbraw/zinc/32/86/16/173328616.db2.gz YXTKPUQFSGTXAB-UHFFFAOYSA-N 1 2 368.821 1.484 20 5 FDBDLO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136913101 173366286 /nfs/dbraw/zinc/36/62/86/173366286.db2.gz NGTOXUKARUBKFF-WMLDXEAASA-N 1 2 364.446 1.161 20 5 FDBDLO C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000150722306 173379008 /nfs/dbraw/zinc/37/90/08/173379008.db2.gz KIKMPZIKSQUDKA-CQSZACIVSA-N 1 2 351.403 1.448 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171104758 173861003 /nfs/dbraw/zinc/86/10/03/173861003.db2.gz VJIJPVFXGJBNBP-UHFFFAOYSA-N 1 2 350.419 1.547 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171104758 173861006 /nfs/dbraw/zinc/86/10/06/173861006.db2.gz VJIJPVFXGJBNBP-UHFFFAOYSA-N 1 2 350.419 1.547 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000177376494 174126449 /nfs/dbraw/zinc/12/64/49/174126449.db2.gz BZYSZVCWFKTMRU-LLVKDONJSA-N 1 2 353.350 1.443 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000183635357 177588023 /nfs/dbraw/zinc/58/80/23/177588023.db2.gz HLCVYUUCVVPWAK-UHFFFAOYSA-N 1 2 371.397 1.646 20 5 FDBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000179458470 258351540 /nfs/dbraw/zinc/35/15/40/258351540.db2.gz YAQZKVFLSBWGKR-AWEZNQCLSA-N 1 2 357.432 1.507 20 5 FDBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000179458470 258351541 /nfs/dbraw/zinc/35/15/41/258351541.db2.gz YAQZKVFLSBWGKR-AWEZNQCLSA-N 1 2 357.432 1.507 20 5 FDBDLO O=C1[C@H]([NH2+]Cc2nnc3n2CCCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000173639473 258305892 /nfs/dbraw/zinc/30/58/92/258305892.db2.gz WRCVQLNNAMBEKC-CQSZACIVSA-N 1 2 356.386 1.418 20 5 FDBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000178779073 258335451 /nfs/dbraw/zinc/33/54/51/258335451.db2.gz ZXXAFNPBRAFABS-LLVKDONJSA-N 1 2 358.320 1.343 20 5 FDBDLO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000178937209 258340527 /nfs/dbraw/zinc/34/05/27/258340527.db2.gz BECXNSNBOZHLTN-QWRGUYRKSA-N 1 2 355.416 1.163 20 5 FDBDLO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000245746231 258396170 /nfs/dbraw/zinc/39/61/70/258396170.db2.gz AFRCUHJHAFZGJY-JKSUJKDBSA-N 1 2 371.393 1.666 20 5 FDBDLO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000245746231 258396171 /nfs/dbraw/zinc/39/61/71/258396171.db2.gz AFRCUHJHAFZGJY-JKSUJKDBSA-N 1 2 371.393 1.666 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264245153 258411694 /nfs/dbraw/zinc/41/16/94/258411694.db2.gz AIMWYORPVQFOPX-UHFFFAOYSA-N 1 2 359.386 1.684 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278423621 258491582 /nfs/dbraw/zinc/49/15/82/258491582.db2.gz OXQXJVYOROQEHZ-SNVBAGLBSA-N 1 2 364.324 1.138 20 5 FDBDLO CNS(=O)(=O)c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000553338443 543612780 /nfs/dbraw/zinc/61/27/80/543612780.db2.gz CMPOOBGCOUWXDU-UHFFFAOYSA-N 1 2 353.404 1.592 20 5 FDBDLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555418340 543954391 /nfs/dbraw/zinc/95/43/91/543954391.db2.gz OFAAERWQEBNOSC-JTQLQIEISA-N 1 2 353.322 1.476 20 5 FDBDLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555418340 543954394 /nfs/dbraw/zinc/95/43/94/543954394.db2.gz OFAAERWQEBNOSC-JTQLQIEISA-N 1 2 353.322 1.476 20 5 FDBDLO CCc1nncn1CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556869034 544216568 /nfs/dbraw/zinc/21/65/68/544216568.db2.gz DJMLNCXODSHICC-MRXNPFEDSA-N 1 2 355.402 1.861 20 5 FDBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556885815 544217612 /nfs/dbraw/zinc/21/76/12/544217612.db2.gz IKDHAGIZXWRFJJ-CXAGYDPISA-N 1 2 355.398 1.771 20 5 FDBDLO CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCO[C@@H](CC)C1 ZINC000559296821 544634278 /nfs/dbraw/zinc/63/42/78/544634278.db2.gz SOLSVVUYXFJYQZ-SWLSCSKDSA-N 1 2 361.402 2.299 20 5 FDBDLO CC[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1CCO[C@@H](CC)C1 ZINC000559296821 544634281 /nfs/dbraw/zinc/63/42/81/544634281.db2.gz SOLSVVUYXFJYQZ-SWLSCSKDSA-N 1 2 361.402 2.299 20 5 FDBDLO CNC(=O)C[NH+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299393501 258994483 /nfs/dbraw/zinc/99/44/83/258994483.db2.gz PDAXOEIZEMZSHZ-UHFFFAOYSA-N 1 2 370.413 1.228 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1OCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000299614713 259010965 /nfs/dbraw/zinc/01/09/65/259010965.db2.gz ILBIXBHYYLKXKE-UHFFFAOYSA-N 1 2 367.402 1.209 20 5 FDBDLO CN(C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C1CCCCC1 ZINC000301138900 259021879 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359.430 1.781 20 5 FDBDLO C[C@@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](C)O1 ZINC000179539996 525599932 /nfs/dbraw/zinc/59/99/32/525599932.db2.gz YZAIQUDMUCENPM-CHWSQXEVSA-N 1 2 351.403 1.920 20 5 FDBDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119033434 525613359 /nfs/dbraw/zinc/61/33/59/525613359.db2.gz VTHICRCHGGJEGZ-UHFFFAOYSA-N 1 2 363.414 1.543 20 5 FDBDLO CCOC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119033434 525613362 /nfs/dbraw/zinc/61/33/62/525613362.db2.gz VTHICRCHGGJEGZ-UHFFFAOYSA-N 1 2 363.414 1.543 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000119109397 525638928 /nfs/dbraw/zinc/63/89/28/525638928.db2.gz ZWSQRGDQAOKCBJ-LBPRGKRZSA-N 1 2 357.794 1.013 20 5 FDBDLO Cc1ccc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000106315030 525690525 /nfs/dbraw/zinc/69/05/25/525690525.db2.gz ADHJSWGXJSODBJ-UHFFFAOYSA-N 1 2 358.402 1.986 20 5 FDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171019107 525804041 /nfs/dbraw/zinc/80/40/41/525804041.db2.gz FSHTXDHCUODOKI-UHFFFAOYSA-N 1 2 364.431 1.372 20 5 FDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171019107 525804050 /nfs/dbraw/zinc/80/40/50/525804050.db2.gz FSHTXDHCUODOKI-UHFFFAOYSA-N 1 2 364.431 1.372 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2nccs2)CC1 ZINC000182200611 526091425 /nfs/dbraw/zinc/09/14/25/526091425.db2.gz WWPFBLGNYHUYJV-CYBMUJFWSA-N 1 2 364.427 1.613 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C2 ZINC000109266414 526099029 /nfs/dbraw/zinc/09/90/29/526099029.db2.gz XBDMENNZQWJXCZ-ZDUSSCGKSA-N 1 2 358.354 1.422 20 5 FDBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCc1[nH]cc[nH+]1 ZINC000171755677 526107254 /nfs/dbraw/zinc/10/72/54/526107254.db2.gz AYPCAPGQANOINM-UHFFFAOYSA-N 1 2 359.342 1.365 20 5 FDBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000171995364 526200474 /nfs/dbraw/zinc/20/04/74/526200474.db2.gz 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GIKLFJGSGJZPFX-UHFFFAOYSA-N 1 2 355.398 1.694 20 5 FDBDLO CN1CCCC[C@@H]([N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O ZINC000601968885 553497101 /nfs/dbraw/zinc/49/71/01/553497101.db2.gz IOMDOVVHCUIVDG-CVEARBPZSA-N 1 2 360.414 1.643 20 5 FDBDLO CN1CCCC[C@@H]([N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O ZINC000601968885 553497103 /nfs/dbraw/zinc/49/71/03/553497103.db2.gz IOMDOVVHCUIVDG-CVEARBPZSA-N 1 2 360.414 1.643 20 5 FDBDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2)c1 ZINC000602440301 553581742 /nfs/dbraw/zinc/58/17/42/553581742.db2.gz HKDOEZBPTORPOZ-UHFFFAOYSA-N 1 2 357.414 1.985 20 5 FDBDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2)c1 ZINC000602440301 553581743 /nfs/dbraw/zinc/58/17/43/553581743.db2.gz HKDOEZBPTORPOZ-UHFFFAOYSA-N 1 2 357.414 1.985 20 5 FDBDLO CO[C@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCOC1 ZINC000602448477 553583556 /nfs/dbraw/zinc/58/35/56/553583556.db2.gz VAIMTUVZSFGRCI-HNNXBMFYSA-N 1 2 355.416 1.220 20 5 FDBDLO CN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602925440 553670637 /nfs/dbraw/zinc/67/06/37/553670637.db2.gz VTQPOEKUZAMOEJ-QZTJIDSGSA-N 1 2 371.393 1.682 20 5 FDBDLO CN(C(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602925440 553670640 /nfs/dbraw/zinc/67/06/40/553670640.db2.gz VTQPOEKUZAMOEJ-QZTJIDSGSA-N 1 2 371.393 1.682 20 5 FDBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000608904530 554327958 /nfs/dbraw/zinc/32/79/58/554327958.db2.gz COQYWPSVRSKXST-LBPRGKRZSA-N 1 2 371.821 1.806 20 5 FDBDLO O=C(NC1(c2nn[nH]n2)CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609836644 554427558 /nfs/dbraw/zinc/42/75/58/554427558.db2.gz IQUOZEXGOZZBJD-UHFFFAOYSA-N 1 2 368.357 1.493 20 5 FDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000610244250 554477643 /nfs/dbraw/zinc/47/76/43/554477643.db2.gz UQZUSDAKLDDFPL-INIZCTEOSA-N 1 2 358.398 1.483 20 5 FDBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000610770114 554560222 /nfs/dbraw/zinc/56/02/22/554560222.db2.gz FCGIJJKXDFPICH-UHFFFAOYSA-N 1 2 369.381 1.630 20 5 FDBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000611231605 554617652 /nfs/dbraw/zinc/61/76/52/554617652.db2.gz AVSSJDDGIMEVAE-UHFFFAOYSA-N 1 2 373.413 1.603 20 5 FDBDLO COc1cccc([C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)c2[nH+]ccn2C)c1 ZINC000611231839 554617745 /nfs/dbraw/zinc/61/77/45/554617745.db2.gz XSAFZCVFVGWQNJ-CQSZACIVSA-N 1 2 370.369 1.590 20 5 FDBDLO CN(C)C(=O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611253071 554619671 /nfs/dbraw/zinc/61/96/71/554619671.db2.gz JJMYPAAGYHNIJE-UHFFFAOYSA-N 1 2 372.372 1.402 20 5 FDBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611654377 554661090 /nfs/dbraw/zinc/66/10/90/554661090.db2.gz KYNSDUHXMUMXDA-GFCCVEGCSA-N 1 2 371.340 1.743 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000611834503 554688406 /nfs/dbraw/zinc/68/84/06/554688406.db2.gz SQZIFKXBVKYIEL-OAHLLOKOSA-N 1 2 371.397 1.693 20 5 FDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)CC2 ZINC000612637003 554818895 /nfs/dbraw/zinc/81/88/95/554818895.db2.gz FGLGPKUNCQUGJV-UHFFFAOYSA-N 1 2 350.400 1.921 20 5 FDBDLO CNC(=O)[C@H]1CCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619154560 555731416 /nfs/dbraw/zinc/73/14/16/555731416.db2.gz AZKGLNZEECAGBB-LSDHHAIUSA-N 1 2 362.430 1.754 20 5 FDBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCO2 ZINC000619431774 555775838 /nfs/dbraw/zinc/77/58/38/555775838.db2.gz XKCZBEHFCLNUOO-SJKOYZFVSA-N 1 2 350.371 1.746 20 5 FDBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCO2 ZINC000619431774 555775843 /nfs/dbraw/zinc/77/58/43/555775843.db2.gz XKCZBEHFCLNUOO-SJKOYZFVSA-N 1 2 350.371 1.746 20 5 FDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1nc(C[NH+]2CCCCC2)no1 ZINC000619872602 555847328 /nfs/dbraw/zinc/84/73/28/555847328.db2.gz BPOLPBVBXQLIOW-UHFFFAOYSA-N 1 2 359.386 1.823 20 5 FDBDLO COCC[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291123230 568057979 /nfs/dbraw/zinc/05/79/79/568057979.db2.gz DEYWAKMJLCVEMQ-AWEZNQCLSA-N 1 2 360.370 1.658 20 5 FDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000738357917 598676225 /nfs/dbraw/zinc/67/62/25/598676225.db2.gz IVMXSKKDDCMERB-AWEZNQCLSA-N 1 2 373.417 1.466 20 5 FDBDLO CC(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272920246 674488276 /nfs/dbraw/zinc/48/82/76/674488276.db2.gz IPCCGNRCCIJVGJ-CQSZACIVSA-N 1 2 351.403 1.135 20 5 FDBDLO C[N@H+](CC(F)F)C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821595321 606482942 /nfs/dbraw/zinc/48/29/42/606482942.db2.gz SMZHXAGTABCVOP-UHFFFAOYSA-N 1 2 367.360 1.941 20 5 FDBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821595321 606482943 /nfs/dbraw/zinc/48/29/43/606482943.db2.gz SMZHXAGTABCVOP-UHFFFAOYSA-N 1 2 367.360 1.941 20 5 FDBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000275799979 674641427 /nfs/dbraw/zinc/64/14/27/674641427.db2.gz JYQBQPHKFBJQIH-LBPRGKRZSA-N 1 2 371.459 1.280 20 5 FDBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000275799979 674641432 /nfs/dbraw/zinc/64/14/32/674641432.db2.gz JYQBQPHKFBJQIH-LBPRGKRZSA-N 1 2 371.459 1.280 20 5 FDBDLO CCS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000277784817 675039514 /nfs/dbraw/zinc/03/95/14/675039514.db2.gz MOOGFXTWQYDTHP-CQSZACIVSA-N 1 2 372.443 1.234 20 5 FDBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278261333 675113966 /nfs/dbraw/zinc/11/39/66/675113966.db2.gz QNXHNKGJEGKZAO-UHFFFAOYSA-N 1 2 358.376 1.017 20 5 FDBDLO CCOC(=O)c1cc(NCCC[N@@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000278268711 675115044 /nfs/dbraw/zinc/11/50/44/675115044.db2.gz ANOBJGSEOXDIIJ-UHFFFAOYSA-N 1 2 350.375 1.005 20 5 FDBDLO CCOC(=O)c1cc(NCCC[N@H+]2CCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000278268711 675115045 /nfs/dbraw/zinc/11/50/45/675115045.db2.gz ANOBJGSEOXDIIJ-UHFFFAOYSA-N 1 2 350.375 1.005 20 5 FDBDLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000050993514 671115387 /nfs/dbraw/zinc/11/53/87/671115387.db2.gz ROSDXRKQOUCZFC-UHFFFAOYSA-N 1 2 354.794 1.787 20 5 FDBDLO Cc1c(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000267587320 673314983 /nfs/dbraw/zinc/31/49/83/673314983.db2.gz MDUCICZKXCVZAH-ZDUSSCGKSA-N 1 2 352.391 1.060 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000279034147 675234459 /nfs/dbraw/zinc/23/44/59/675234459.db2.gz AXXIJDWRZMPZQE-UHFFFAOYSA-N 1 2 353.423 1.624 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000279034147 675234461 /nfs/dbraw/zinc/23/44/61/675234461.db2.gz AXXIJDWRZMPZQE-UHFFFAOYSA-N 1 2 353.423 1.624 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000279347459 675280089 /nfs/dbraw/zinc/28/00/89/675280089.db2.gz CHZCMJBXXUXFDT-CQSZACIVSA-N 1 2 350.419 1.499 20 5 FDBDLO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000290778770 676231953 /nfs/dbraw/zinc/23/19/53/676231953.db2.gz SWPOIZXOGZPRJH-NSHDSACASA-N 1 2 354.388 1.520 20 5 FDBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000295466023 676406176 /nfs/dbraw/zinc/40/61/76/676406176.db2.gz MDGGGPOICAYYON-GWCFXTLKSA-N 1 2 354.313 1.915 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000299376581 676531974 /nfs/dbraw/zinc/53/19/74/676531974.db2.gz SGZZQKJSJGWORZ-FIRCGALFSA-N 1 2 369.443 1.773 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000299376581 676531976 /nfs/dbraw/zinc/53/19/76/676531976.db2.gz SGZZQKJSJGWORZ-FIRCGALFSA-N 1 2 369.443 1.773 20 5 FDBDLO CCN1CCO[C@H](C[NH+]2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)C1 ZINC000369695082 677510822 /nfs/dbraw/zinc/51/08/22/677510822.db2.gz GJCFDBCHKWSASD-AWEZNQCLSA-N 1 2 352.410 1.577 20 5 FDBDLO COc1cc(NC[C@]2([NH+]3CCOCC3)CCCOC2)ccc1[N+](=O)[O-] ZINC000370573173 677593380 /nfs/dbraw/zinc/59/33/80/677593380.db2.gz AEVMKFKFYOJBFE-QGZVFWFLSA-N 1 2 351.403 1.897 20 5 FDBDLO CN1C(=O)CSC12CC[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000371625799 677745348 /nfs/dbraw/zinc/74/53/48/677745348.db2.gz ZVLBOZZGGYVRFP-UHFFFAOYSA-N 1 2 364.427 1.531 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)[NH+]2CCOCC2)c1F ZINC000411372466 679024951 /nfs/dbraw/zinc/02/49/51/679024951.db2.gz CZZILAULMNKBAJ-NSHDSACASA-N 1 2 355.366 1.122 20 5 FDBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418775974 680121622 /nfs/dbraw/zinc/12/16/22/680121622.db2.gz WUFWHFXIRQCURA-ZDUSSCGKSA-N 1 2 354.357 1.907 20 5 FDBDLO O=[N+]([O-])c1cncc(I)c1NCCCn1cc[nH+]c1 ZINC000418811343 680127780 /nfs/dbraw/zinc/12/77/80/680127780.db2.gz PTFSWDYXSZEWPD-UHFFFAOYSA-N 1 2 373.154 1.715 20 5 FDBDLO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420422291 680445376 /nfs/dbraw/zinc/44/53/76/680445376.db2.gz LVEQGHQVTTWPIH-UHFFFAOYSA-N 1 2 363.264 1.486 20 5 FDBDLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433149702 681174971 /nfs/dbraw/zinc/17/49/71/681174971.db2.gz DVUHFQHFCFAQIS-LBPRGKRZSA-N 1 2 359.810 1.904 20 5 FDBDLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433149702 681174974 /nfs/dbraw/zinc/17/49/74/681174974.db2.gz DVUHFQHFCFAQIS-LBPRGKRZSA-N 1 2 359.810 1.904 20 5 FDBDLO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000434713002 681514482 /nfs/dbraw/zinc/51/44/82/681514482.db2.gz XZQOCYYARHSVRU-INIZCTEOSA-N 1 2 351.378 1.585 20 5 FDBDLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000475057533 685556161 /nfs/dbraw/zinc/55/61/61/685556161.db2.gz ASPYAHCGTONDMG-CYBMUJFWSA-N 1 2 357.432 1.062 20 5 FDBDLO C[C@@H](CC[S@](C)=O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449985370 682725648 /nfs/dbraw/zinc/72/56/48/682725648.db2.gz LXHQQHMCVQZDGG-BUBHHJDNSA-N 1 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Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000491869718 687156772 /nfs/dbraw/zinc/15/67/72/687156772.db2.gz MCRODTUDTUOLNR-GFCCVEGCSA-N 1 2 350.400 1.701 20 5 FDBDLO COc1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000491982745 687157114 /nfs/dbraw/zinc/15/71/14/687157114.db2.gz SETUOZPYPKOADM-SNVBAGLBSA-N 1 2 352.372 1.093 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000502834933 688305175 /nfs/dbraw/zinc/30/51/75/688305175.db2.gz XRDIJZYPJPKZIP-AWEZNQCLSA-N 1 2 372.443 1.881 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000502834933 688305180 /nfs/dbraw/zinc/30/51/80/688305180.db2.gz XRDIJZYPJPKZIP-AWEZNQCLSA-N 1 2 372.443 1.881 20 5 FDBDLO O=C(CCn1cc[nH+]c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000511867680 689562053 /nfs/dbraw/zinc/56/20/53/689562053.db2.gz GIAWFDXNXJSDQZ-UHFFFAOYSA-N 1 2 363.399 1.228 20 5 FDBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001164918217 721820698 /nfs/dbraw/zinc/82/06/98/721820698.db2.gz DGZPUNZKDSMRNG-UHFFFAOYSA-N 1 2 357.418 1.639 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000478895700 782906961 /nfs/dbraw/zinc/90/69/61/782906961.db2.gz CSGBTPWFOYNGCQ-OAHLLOKOSA-N 1 2 363.414 1.467 20 5 FDBDLO C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892597719 787568210 /nfs/dbraw/zinc/56/82/10/787568210.db2.gz VSJAOUULWOVZBJ-ZIAGYGMSSA-N 1 2 350.419 1.718 20 5 FDBDLO C[C@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892597719 787568218 /nfs/dbraw/zinc/56/82/18/787568218.db2.gz VSJAOUULWOVZBJ-ZIAGYGMSSA-N 1 2 350.419 1.718 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775759 792011667 /nfs/dbraw/zinc/01/16/67/792011667.db2.gz MHONKRMLRNLERB-ZNLHFFCSSA-N 1 2 353.781 1.691 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775759 792011675 /nfs/dbraw/zinc/01/16/75/792011675.db2.gz MHONKRMLRNLERB-ZNLHFFCSSA-N 1 2 353.781 1.691 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1F ZINC000412146016 792318648 /nfs/dbraw/zinc/31/86/48/792318648.db2.gz OLNJVESRGZXCFN-LBPRGKRZSA-N 1 2 367.377 1.218 20 5 FDBDLO O=C(OCCOCCn1cccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000105553272 807124647 /nfs/dbraw/zinc/12/46/47/807124647.db2.gz AODZCPAOHQNDNG-UHFFFAOYSA-N 1 2 371.353 1.851 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279384284 808957992 /nfs/dbraw/zinc/95/79/92/808957992.db2.gz URGGNYAMYOUNNP-CYBMUJFWSA-N 1 2 360.414 1.798 20 5 FDBDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2C1 ZINC000433966041 811618637 /nfs/dbraw/zinc/61/86/37/811618637.db2.gz TYNRNOOTZCSRBD-UHFFFAOYSA-N 1 2 372.356 1.830 20 5 FDBDLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2C1 ZINC000433966041 811618641 /nfs/dbraw/zinc/61/86/41/811618641.db2.gz TYNRNOOTZCSRBD-UHFFFAOYSA-N 1 2 372.356 1.830 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425552015 816522689 /nfs/dbraw/zinc/52/26/89/816522689.db2.gz QXJVIRIKECPVCY-QWRGUYRKSA-N 1 2 360.374 1.538 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425552015 816522694 /nfs/dbraw/zinc/52/26/94/816522694.db2.gz QXJVIRIKECPVCY-QWRGUYRKSA-N 1 2 360.374 1.538 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425552065 816525855 /nfs/dbraw/zinc/52/58/55/816525855.db2.gz RANBDNQKYMYDTN-WDEREUQCSA-N 1 2 360.374 1.538 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425552065 816525863 /nfs/dbraw/zinc/52/58/63/816525863.db2.gz RANBDNQKYMYDTN-WDEREUQCSA-N 1 2 360.374 1.538 20 5 FDBDLO C[NH+]1CCN(c2cc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])ccn2)CC1 ZINC000506325801 817673063 /nfs/dbraw/zinc/67/30/63/817673063.db2.gz KARPEMPIPNSSAH-UHFFFAOYSA-N 1 2 371.397 1.377 20 5 FDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000843753587 818252056 /nfs/dbraw/zinc/25/20/56/818252056.db2.gz AFVUFEYMXCLFOS-ZDUSSCGKSA-N 1 2 351.378 1.979 20 5 FDBDLO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806964 818472043 /nfs/dbraw/zinc/47/20/43/818472043.db2.gz UDSDBWGMCYKDFA-CJNGLKHVSA-N 1 2 357.414 1.906 20 5 FDBDLO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806964 818472047 /nfs/dbraw/zinc/47/20/47/818472047.db2.gz UDSDBWGMCYKDFA-CJNGLKHVSA-N 1 2 357.414 1.906 20 5 FDBDLO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000441229218 828692108 /nfs/dbraw/zinc/69/21/08/828692108.db2.gz IIYBALSXRQNEFK-IAQYHMDHSA-N 1 2 365.386 1.168 20 5 FDBDLO CN(CCN1CCCC1=O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000523652588 828238870 /nfs/dbraw/zinc/23/88/70/828238870.db2.gz PBLHIGMRJYQRQM-UHFFFAOYSA-N 1 2 357.370 1.475 20 5 FDBDLO NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448868744 829276394 /nfs/dbraw/zinc/27/63/94/829276394.db2.gz OEYLUEAMJTZHEN-CYBMUJFWSA-N 1 2 372.385 1.444 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000449744757 829638088 /nfs/dbraw/zinc/63/80/88/829638088.db2.gz JPZJQAKJESUTBC-ZDUSSCGKSA-N 1 2 366.418 1.848 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000449744757 829638092 /nfs/dbraw/zinc/63/80/92/829638092.db2.gz JPZJQAKJESUTBC-ZDUSSCGKSA-N 1 2 366.418 1.848 20 5 FDBDLO NC(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000449874605 829715526 /nfs/dbraw/zinc/71/55/26/829715526.db2.gz BPNIYJUPLHGBAD-UHFFFAOYSA-N 1 2 357.370 1.556 20 5 FDBDLO CCNC(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450123303 829816543 /nfs/dbraw/zinc/81/65/43/829816543.db2.gz WLGIIUZQFJJXSZ-ZDUSSCGKSA-N 1 2 372.385 1.314 20 5 FDBDLO 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Cc1cn(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000151323608 861938896 /nfs/dbraw/zinc/93/88/96/861938896.db2.gz TVSSZXOJDUULTK-GOSISDBHSA-N 1 2 358.398 1.926 20 5 FDBDLO Cc1cn(C[N@H+]2CC[C@@]3(CCOC3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000151323608 861938904 /nfs/dbraw/zinc/93/89/04/861938904.db2.gz TVSSZXOJDUULTK-GOSISDBHSA-N 1 2 358.398 1.926 20 5 FDBDLO Cn1cc([C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[NH2+]2)cn1 ZINC000913474143 862195259 /nfs/dbraw/zinc/19/52/59/862195259.db2.gz HXAUFENPVMKWIX-GFCCVEGCSA-N 1 2 367.768 1.908 20 5 FDBDLO Cc1cc(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ccc1[N+](=O)[O-] ZINC000904286762 851079972 /nfs/dbraw/zinc/07/99/72/851079972.db2.gz PVUJKVDCETVTOZ-WBVHZDCISA-N 1 2 364.398 1.826 20 5 FDBDLO Cc1cn(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000905695178 852217514 /nfs/dbraw/zinc/21/75/14/852217514.db2.gz YPQOZYCZMOCFPP-AWEZNQCLSA-N 1 2 374.397 1.508 20 5 FDBDLO Cc1cn(C[N@H+]2CC[C@H](C3OCCO3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000905695178 852217522 /nfs/dbraw/zinc/21/75/22/852217522.db2.gz YPQOZYCZMOCFPP-AWEZNQCLSA-N 1 2 374.397 1.508 20 5 FDBDLO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccn2cc[nH+]c2c1 ZINC000485521290 852437194 /nfs/dbraw/zinc/43/71/94/852437194.db2.gz OCNHXKQWPUCYIB-UHFFFAOYSA-N 1 2 353.294 1.789 20 5 FDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccn1CC[NH+]1CCOCC1 ZINC000906342161 852806332 /nfs/dbraw/zinc/80/63/32/852806332.db2.gz UAAKYKRVQLPIFR-UHFFFAOYSA-N 1 2 358.398 1.659 20 5 FDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488566236 858300432 /nfs/dbraw/zinc/30/04/32/858300432.db2.gz ULEYLVXSLSICFH-AWEZNQCLSA-N 1 2 370.413 1.638 20 5 FDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000271996934 869936561 /nfs/dbraw/zinc/93/65/61/869936561.db2.gz GIJQZLQXTNSSKP-ZDUSSCGKSA-N 1 2 359.386 1.446 20 5 FDBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCc1ccn2cc[nH+]c2c1 ZINC000762560299 876105487 /nfs/dbraw/zinc/10/54/87/876105487.db2.gz BTFREGHSGGMVSY-UHFFFAOYSA-N 1 2 350.338 1.909 20 5 FDBDLO CCCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034643316 884602485 /nfs/dbraw/zinc/60/24/85/884602485.db2.gz MLPFTTLQRBFQHJ-FDYHWXHSSA-N 1 2 351.407 1.204 20 5 FDBDLO Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)s1 ZINC001034816535 885146540 /nfs/dbraw/zinc/14/65/40/885146540.db2.gz RFDXVBIJHALPIM-ZIAGYGMSSA-N 1 2 361.427 1.418 20 5 FDBDLO O=C(NCC1C[NH+](Cc2ccc(Br)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660496 886968416 /nfs/dbraw/zinc/96/84/16/886968416.db2.gz JIFSCDSDEUVJRP-ZIAGYGMSSA-N 1 2 368.231 1.662 20 5 FDBDLO O=C(NC1CC[NH+](Cc2cnnn2-c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002786610 893947243 /nfs/dbraw/zinc/94/72/43/893947243.db2.gz DAVLQSFRCWBWFI-IAGOWNOFSA-N 1 2 370.413 1.013 20 5 FDBDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000772048345 931026974 /nfs/dbraw/zinc/02/69/74/931026974.db2.gz 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COC(=O)COc1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000789528606 933075136 /nfs/dbraw/zinc/07/51/36/933075136.db2.gz SSEMJQFVFNRTFJ-UHFFFAOYSA-N 1 2 366.370 1.486 20 5 FDBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000790396958 933536801 /nfs/dbraw/zinc/53/68/01/933536801.db2.gz UBFNFRCOZCWGOZ-BNLOLNQZSA-N 1 2 361.402 1.874 20 5 FDBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000790396958 933536807 /nfs/dbraw/zinc/53/68/07/933536807.db2.gz UBFNFRCOZCWGOZ-BNLOLNQZSA-N 1 2 361.402 1.874 20 5 FDBDLO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000822818674 945257287 /nfs/dbraw/zinc/25/72/87/945257287.db2.gz ICLWKTOBWRHCCX-UHFFFAOYSA-N 1 2 350.350 1.613 20 5 FDBDLO Cn1c[nH+]cc1Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000809448502 940841064 /nfs/dbraw/zinc/84/10/64/940841064.db2.gz ULDFLJJINSTSKF-UHFFFAOYSA-N 1 2 370.369 1.806 20 5 FDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000805477315 941330849 /nfs/dbraw/zinc/33/08/49/941330849.db2.gz IWJPYUCSASSAKU-OAHLLOKOSA-N 1 2 354.359 1.246 20 5 FDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000805477315 941330853 /nfs/dbraw/zinc/33/08/53/941330853.db2.gz IWJPYUCSASSAKU-OAHLLOKOSA-N 1 2 354.359 1.246 20 5 FDBDLO NC(=O)c1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC000813173818 941341901 /nfs/dbraw/zinc/34/19/01/941341901.db2.gz KGMNSWIWSVBNBF-AWEZNQCLSA-N 1 2 359.338 1.718 20 5 FDBDLO NC(=O)c1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC000813173818 941341905 /nfs/dbraw/zinc/34/19/05/941341905.db2.gz KGMNSWIWSVBNBF-AWEZNQCLSA-N 1 2 359.338 1.718 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000815268873 941817914 /nfs/dbraw/zinc/81/79/14/941817914.db2.gz NUEMXKAQIWSXGQ-CYBMUJFWSA-N 1 2 359.382 1.448 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817179427 942614312 /nfs/dbraw/zinc/61/43/12/942614312.db2.gz KEOYJHDZZYXQNJ-UHFFFAOYSA-N 1 2 374.397 1.675 20 5 FDBDLO COC(=O)[C@@H]1C[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C1CC1 ZINC000844761965 948370628 /nfs/dbraw/zinc/37/06/28/948370628.db2.gz VOIMMSHKHVCPGM-QWHCGFSZSA-N 1 2 373.365 1.279 20 5 FDBDLO COC(=O)[C@@H]1C[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H]1C1CC1 ZINC000844761965 948370636 /nfs/dbraw/zinc/37/06/36/948370636.db2.gz VOIMMSHKHVCPGM-QWHCGFSZSA-N 1 2 373.365 1.279 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846621506 951383665 /nfs/dbraw/zinc/38/36/65/951383665.db2.gz PDTJOXWSZAKGHB-UHFFFAOYSA-N 1 2 371.821 1.669 20 5 FDBDLO COC(=O)[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC001181604818 960986699 /nfs/dbraw/zinc/98/66/99/960986699.db2.gz HCCZLAMWMZYRBZ-QGZVFWFLSA-N 1 2 374.353 1.090 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001175202548 963075268 /nfs/dbraw/zinc/07/52/68/963075268.db2.gz DLSVWMGJBNVKJP-INIZCTEOSA-N 1 2 373.413 1.731 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001175202548 963075283 /nfs/dbraw/zinc/07/52/83/963075283.db2.gz DLSVWMGJBNVKJP-INIZCTEOSA-N 1 2 373.413 1.731 20 5 FDBDLO Cn1ncnc1C1(O)CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001175853253 963308904 /nfs/dbraw/zinc/30/89/04/963308904.db2.gz CRERKMRTPXCCTJ-UHFFFAOYSA-N 1 2 351.794 1.860 20 5 FDBDLO O=C1OCCN1C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000852721818 967552289 /nfs/dbraw/zinc/55/22/89/967552289.db2.gz JBUCMJBFUDAGIA-INIZCTEOSA-N 1 2 374.397 1.617 20 5 FDBDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853508426 968063618 /nfs/dbraw/zinc/06/36/18/968063618.db2.gz MXRWRDUPZZBUIQ-CYBMUJFWSA-N 1 2 356.386 1.508 20 5 FDBDLO O=C1CCCN1[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853508426 968063631 /nfs/dbraw/zinc/06/36/31/968063631.db2.gz MXRWRDUPZZBUIQ-CYBMUJFWSA-N 1 2 356.386 1.508 20 5 FDBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000853538466 968093988 /nfs/dbraw/zinc/09/39/88/968093988.db2.gz GXGZRIHJJNOLGQ-INIZCTEOSA-N 1 2 357.370 1.942 20 5 FDBDLO O=C1OCCN1[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000853538466 968093995 /nfs/dbraw/zinc/09/39/95/968093995.db2.gz GXGZRIHJJNOLGQ-INIZCTEOSA-N 1 2 357.370 1.942 20 5 FDBDLO CC[N@@H+](Cc1nc(C)no1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712977 1013853789 /nfs/dbraw/zinc/85/37/89/1013853789.db2.gz DULATCFQZMPKOP-ZIAGYGMSSA-N 1 2 351.407 1.104 20 5 FDBDLO CC[N@H+](Cc1nc(C)no1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712977 1013853794 /nfs/dbraw/zinc/85/37/94/1013853794.db2.gz DULATCFQZMPKOP-ZIAGYGMSSA-N 1 2 351.407 1.104 20 5 FDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854727554 969924685 /nfs/dbraw/zinc/92/46/85/969924685.db2.gz LNNCIGLJKVEPDR-NSHDSACASA-N 1 2 352.366 1.253 20 5 FDBDLO COCC[N@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000848485521 976820780 /nfs/dbraw/zinc/82/07/80/976820780.db2.gz PCGKPNFVFQEKPT-IRXDYDNUSA-N 1 2 363.414 1.606 20 5 FDBDLO COCC[N@@H+](CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000848485521 976820789 /nfs/dbraw/zinc/82/07/89/976820789.db2.gz PCGKPNFVFQEKPT-IRXDYDNUSA-N 1 2 363.414 1.606 20 5 FDBDLO CC[C@@H](CO)[NH+]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848588135 976921691 /nfs/dbraw/zinc/92/16/91/976921691.db2.gz OSVXMBGKOFSOJR-LBPRGKRZSA-N 1 2 373.356 1.482 20 5 FDBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868631756 977841627 /nfs/dbraw/zinc/84/16/27/977841627.db2.gz NQKJUEHQAFBDKT-AWEZNQCLSA-N 1 2 351.378 1.600 20 5 FDBDLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000857988258 981782534 /nfs/dbraw/zinc/78/25/34/981782534.db2.gz DCJWWLIIYBRLAK-ZDUSSCGKSA-N 1 2 353.342 1.555 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000800135184 982760611 /nfs/dbraw/zinc/76/06/11/982760611.db2.gz PCCMBFBTKKIMTO-CQSZACIVSA-N 1 2 352.387 1.936 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000800135184 982760615 /nfs/dbraw/zinc/76/06/15/982760615.db2.gz PCCMBFBTKKIMTO-CQSZACIVSA-N 1 2 352.387 1.936 20 5 FDBDLO C[C@@H]1C[N@H+](CCOC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800146521 982765870 /nfs/dbraw/zinc/76/58/70/982765870.db2.gz YOFANVSANAADLM-CYBMUJFWSA-N 1 2 374.397 1.873 20 5 FDBDLO C[C@@H]1C[N@@H+](CCOC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800146521 982765875 /nfs/dbraw/zinc/76/58/75/982765875.db2.gz YOFANVSANAADLM-CYBMUJFWSA-N 1 2 374.397 1.873 20 5 FDBDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000886307600 986053366 /nfs/dbraw/zinc/05/33/66/986053366.db2.gz XDJNSFZXLQEVTN-CVEARBPZSA-N 1 2 355.398 1.994 20 5 FDBDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cccnc3[N+](=O)[O-])Cc3cccnc3N2C1 ZINC000886307600 986053379 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C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000296556091 184177746 /nfs/dbraw/zinc/17/77/46/184177746.db2.gz TZTKRZWCDYCIDZ-SMDDNHRTSA-N 1 2 350.400 1.861 20 5 FDBDLO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000296556080 184177816 /nfs/dbraw/zinc/17/78/16/184177816.db2.gz TZTKRZWCDYCIDZ-BXUZGUMPSA-N 1 2 350.400 1.861 20 5 FDBDLO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000298111967 184394922 /nfs/dbraw/zinc/39/49/22/184394922.db2.gz OJJNZEJNCDKZJS-INIZCTEOSA-N 1 2 372.425 1.860 20 5 FDBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cccc([N+](=O)[O-])c1C ZINC000171927714 258269976 /nfs/dbraw/zinc/26/99/76/258269976.db2.gz XFLXSMZFQKVITO-UHFFFAOYSA-N 1 2 351.403 1.210 20 5 FDBDLO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000172230208 258272261 /nfs/dbraw/zinc/27/22/61/258272261.db2.gz MDBFJFIIWRKJDW-ZDUSSCGKSA-N 1 2 353.329 1.489 20 5 FDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000024894187 132374050 /nfs/dbraw/zinc/37/40/50/132374050.db2.gz GCJIQJYYNJSWOJ-NSHDSACASA-N 1 2 363.374 1.292 20 5 FDBDLO CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000029529200 132374209 /nfs/dbraw/zinc/37/42/09/132374209.db2.gz GDIJJOANMIJMDR-UHFFFAOYSA-N 1 2 360.336 1.872 20 5 FDBDLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000552116392 543420774 /nfs/dbraw/zinc/42/07/74/543420774.db2.gz ULSWHMZUVFZYKA-UHFFFAOYSA-N 1 2 369.403 1.253 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000071972508 172041702 /nfs/dbraw/zinc/04/17/02/172041702.db2.gz GOSBORIQTLKQNA-CYBMUJFWSA-N 1 2 370.475 1.065 20 5 FDBDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000088305408 172231963 /nfs/dbraw/zinc/23/19/63/172231963.db2.gz IMPFJHZKISPKAN-OAHLLOKOSA-N 1 2 374.441 1.672 20 5 FDBDLO O=C(C[N@@H+]1CCCN(CC(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000091084540 172274701 /nfs/dbraw/zinc/27/47/01/172274701.db2.gz 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C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000104593532 172381694 /nfs/dbraw/zinc/38/16/94/172381694.db2.gz CQKAWWHVDDGIOY-CHWSQXEVSA-N 1 2 374.401 1.015 20 5 FDBDLO O=C1NCCN1C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109131074 172495449 /nfs/dbraw/zinc/49/54/49/172495449.db2.gz DDSMADZXRTVUMJ-MRXNPFEDSA-N 1 2 373.413 1.190 20 5 FDBDLO CSc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000127416007 173076059 /nfs/dbraw/zinc/07/60/59/173076059.db2.gz WGEYFWBPDSKCGI-CYBMUJFWSA-N 1 2 351.428 1.910 20 5 FDBDLO CSc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000127416007 173076061 /nfs/dbraw/zinc/07/60/61/173076061.db2.gz WGEYFWBPDSKCGI-CYBMUJFWSA-N 1 2 351.428 1.910 20 5 FDBDLO Cc1cc([C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000128558916 173112887 /nfs/dbraw/zinc/11/28/87/173112887.db2.gz SCNYZTKEBGJXAK-DOTOQJQBSA-N 1 2 364.377 1.673 20 5 FDBDLO Cc1cc([C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000128558916 173112888 /nfs/dbraw/zinc/11/28/88/173112888.db2.gz SCNYZTKEBGJXAK-DOTOQJQBSA-N 1 2 364.377 1.673 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000132893404 173247140 /nfs/dbraw/zinc/24/71/40/173247140.db2.gz DZWNBUNRXAPQGZ-UHFFFAOYSA-N 1 2 354.370 1.992 20 5 FDBDLO C[C@@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@@H]1n1cc[nH+]c1 ZINC000134145651 173319516 /nfs/dbraw/zinc/31/95/16/173319516.db2.gz PQCFOCJPJOKRJI-ABAIWWIYSA-N 1 2 365.415 1.526 20 5 FDBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)S1 ZINC000135874349 173354333 /nfs/dbraw/zinc/35/43/33/173354333.db2.gz QUNUSIRTEMUUNU-SNVBAGLBSA-N 1 2 352.391 1.983 20 5 FDBDLO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C[NH+]1CCOCC1 ZINC000150726964 173378584 /nfs/dbraw/zinc/37/85/84/173378584.db2.gz WREMYOVOLVHXCQ-GFCCVEGCSA-N 1 2 355.366 1.197 20 5 FDBDLO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C[NH+]1CCOCC1 ZINC000150724034 173378706 /nfs/dbraw/zinc/37/87/06/173378706.db2.gz NLDFPPILCVNTIX-CYBMUJFWSA-N 1 2 350.419 1.359 20 5 FDBDLO O=C(c1ccc(F)cc1F)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176226348 174059521 /nfs/dbraw/zinc/05/95/21/174059521.db2.gz VDZVPNLOVDQYPF-UHFFFAOYSA-N 1 2 365.340 1.528 20 5 FDBDLO O=C(NCCCNC(=O)C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176989489 174099115 /nfs/dbraw/zinc/09/91/15/174099115.db2.gz ZQGWJCGNVKIJEK-UHFFFAOYSA-N 1 2 371.397 1.817 20 5 FDBDLO C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177363844 174124498 /nfs/dbraw/zinc/12/44/98/174124498.db2.gz QWPZSMJVBBEUJO-OCCSQVGLSA-N 1 2 360.370 1.704 20 5 FDBDLO CN(C)C(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000179589885 258354089 /nfs/dbraw/zinc/35/40/89/258354089.db2.gz KEFYGNSSHCODJR-UHFFFAOYSA-N 1 2 357.414 1.947 20 5 FDBDLO CNc1nccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000553461117 543640879 /nfs/dbraw/zinc/64/08/79/543640879.db2.gz IFBWMXBSLHNLLW-CYBMUJFWSA-N 1 2 370.413 1.946 20 5 FDBDLO CN(C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000555523604 543965337 /nfs/dbraw/zinc/96/53/37/543965337.db2.gz PYOKUFSCMZKMIH-GFCCVEGCSA-N 1 2 357.432 1.404 20 5 FDBDLO CN(C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000555523604 543965341 /nfs/dbraw/zinc/96/53/41/543965341.db2.gz PYOKUFSCMZKMIH-GFCCVEGCSA-N 1 2 357.432 1.404 20 5 FDBDLO C[NH+](C)C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000557860617 544355477 /nfs/dbraw/zinc/35/54/77/544355477.db2.gz CHIJUMMDFJTWBA-ZDUSSCGKSA-N 1 2 368.390 1.710 20 5 FDBDLO O=C(Cn1cc[nH+]c1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000558650802 544492420 /nfs/dbraw/zinc/49/24/20/544492420.db2.gz PFULZYCWFPHEKW-UHFFFAOYSA-N 1 2 369.385 1.407 20 5 FDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000558606777 544480055 /nfs/dbraw/zinc/48/00/55/544480055.db2.gz UIUYFMBYHRDNRB-CYBMUJFWSA-N 1 2 357.370 1.710 20 5 FDBDLO CCN(CC)c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c[nH+]1 ZINC000299478394 259000427 /nfs/dbraw/zinc/00/04/27/259000427.db2.gz DUYWUVXLBUGTTJ-UHFFFAOYSA-N 1 2 359.386 1.314 20 5 FDBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301064169 259020309 /nfs/dbraw/zinc/02/03/09/259020309.db2.gz CCIUUCCEDVQJLS-UHFFFAOYSA-N 1 2 352.354 1.946 20 5 FDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000301513731 259028801 /nfs/dbraw/zinc/02/88/01/259028801.db2.gz FUUPBCBDEUAQDS-NSHDSACASA-N 1 2 363.443 1.568 20 5 FDBDLO CN(C)c1[nH+]cccc1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302074024 259038609 /nfs/dbraw/zinc/03/86/09/259038609.db2.gz GEBFKAWMCJUMBS-UHFFFAOYSA-N 1 2 351.388 1.315 20 5 FDBDLO CN1CCN(c2cc(NCCNc3ccccc3[N+](=O)[O-])[nH+]cn2)CC1=O ZINC000302212462 259040495 /nfs/dbraw/zinc/04/04/95/259040495.db2.gz DYTBQBMROHMWMG-UHFFFAOYSA-N 1 2 371.401 1.187 20 5 FDBDLO CN1CCN(c2cc(NCCNc3ccccc3[N+](=O)[O-])nc[nH+]2)CC1=O ZINC000302212462 259040496 /nfs/dbraw/zinc/04/04/96/259040496.db2.gz DYTBQBMROHMWMG-UHFFFAOYSA-N 1 2 371.401 1.187 20 5 FDBDLO C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302510954 259042704 /nfs/dbraw/zinc/04/27/04/259042704.db2.gz SNYUVDWYQMMGMC-GFCCVEGCSA-N 1 2 371.459 1.280 20 5 FDBDLO C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000302510954 259042705 /nfs/dbraw/zinc/04/27/05/259042705.db2.gz SNYUVDWYQMMGMC-GFCCVEGCSA-N 1 2 371.459 1.280 20 5 FDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000302625464 259044114 /nfs/dbraw/zinc/04/41/14/259044114.db2.gz IAZDEDTVOSGSIY-CYBMUJFWSA-N 1 2 369.443 1.157 20 5 FDBDLO CN(C(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000330859641 259165969 /nfs/dbraw/zinc/16/59/69/259165969.db2.gz KHTZSOCVLIVMNK-CQSZACIVSA-N 1 2 361.320 1.947 20 5 FDBDLO CN(C(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000330859641 259165970 /nfs/dbraw/zinc/16/59/70/259165970.db2.gz KHTZSOCVLIVMNK-CQSZACIVSA-N 1 2 361.320 1.947 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000330860603 259166171 /nfs/dbraw/zinc/16/61/71/259166171.db2.gz WETCKRUBCQTGFH-GHMZBOCLSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000330860603 259166172 /nfs/dbraw/zinc/16/61/72/259166172.db2.gz WETCKRUBCQTGFH-GHMZBOCLSA-N 1 2 371.415 1.095 20 5 FDBDLO C[C@H]1CC[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000331063076 259175003 /nfs/dbraw/zinc/17/50/03/259175003.db2.gz PDDDLSYNBGSJLI-ZFWWWQNUSA-N 1 2 369.443 1.469 20 5 FDBDLO C[C@@H]1CC[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000331063072 259175246 /nfs/dbraw/zinc/17/52/46/259175246.db2.gz PDDDLSYNBGSJLI-HIFRSBDPSA-N 1 2 369.443 1.469 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000331181511 259180451 /nfs/dbraw/zinc/18/04/51/259180451.db2.gz LSFRYHHIVADKCO-AWEZNQCLSA-N 1 2 369.443 1.246 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363462990 259599039 /nfs/dbraw/zinc/59/90/39/259599039.db2.gz REVCYJPXVVDYDM-UHFFFAOYSA-N 1 2 350.404 1.029 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000367185376 260007360 /nfs/dbraw/zinc/00/73/60/260007360.db2.gz JKSRQJZKWBOHCQ-CQSZACIVSA-N 1 2 366.399 1.452 20 5 FDBDLO CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000367630434 260070711 /nfs/dbraw/zinc/07/07/11/260070711.db2.gz CAISACWLBLNXKM-ZFWWWQNUSA-N 1 2 363.414 1.929 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)c([N+](=O)[O-])c1 ZINC000368891781 260255680 /nfs/dbraw/zinc/25/56/80/260255680.db2.gz JABPZJUXJQXJPK-CYBMUJFWSA-N 1 2 350.375 1.142 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)c([N+](=O)[O-])c1 ZINC000368891781 260255682 /nfs/dbraw/zinc/25/56/82/260255682.db2.gz JABPZJUXJQXJPK-CYBMUJFWSA-N 1 2 350.375 1.142 20 5 FDBDLO 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RQUCJJIAGWDPIO-CHWSQXEVSA-N 1 2 350.419 1.812 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000596579925 552691162 /nfs/dbraw/zinc/69/11/62/552691162.db2.gz RQUCJJIAGWDPIO-CHWSQXEVSA-N 1 2 350.419 1.812 20 5 FDBDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597224843 552762847 /nfs/dbraw/zinc/76/28/47/552762847.db2.gz QSUCUUKCWCQZSD-ZDUSSCGKSA-N 1 2 364.402 1.554 20 5 FDBDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597224843 552762848 /nfs/dbraw/zinc/76/28/48/552762848.db2.gz QSUCUUKCWCQZSD-ZDUSSCGKSA-N 1 2 364.402 1.554 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000597706473 552824408 /nfs/dbraw/zinc/82/44/08/552824408.db2.gz GSEPXNJASUYHTO-GFCCVEGCSA-N 1 2 351.407 1.378 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000597706473 552824409 /nfs/dbraw/zinc/82/44/09/552824409.db2.gz GSEPXNJASUYHTO-GFCCVEGCSA-N 1 2 351.407 1.378 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000597847137 552840177 /nfs/dbraw/zinc/84/01/77/552840177.db2.gz NOZIOJNQTXMNMV-OAHLLOKOSA-N 1 2 361.402 1.616 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1[N+](=O)[O-] ZINC000597848148 552840393 /nfs/dbraw/zinc/84/03/93/552840393.db2.gz UXCSRUBCIRPJRC-CYBMUJFWSA-N 1 2 364.406 1.664 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000597895638 552844691 /nfs/dbraw/zinc/84/46/91/552844691.db2.gz CMOZOFVEFXHWKN-CYBMUJFWSA-N 1 2 367.369 1.534 20 5 FDBDLO CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597947367 552849294 /nfs/dbraw/zinc/84/92/94/552849294.db2.gz WWZJDVVUOFOCIZ-LBPRGKRZSA-N 1 2 355.416 1.165 20 5 FDBDLO CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597947367 552849296 /nfs/dbraw/zinc/84/92/96/552849296.db2.gz WWZJDVVUOFOCIZ-LBPRGKRZSA-N 1 2 355.416 1.165 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)CO1 ZINC000597996308 552854585 /nfs/dbraw/zinc/85/45/85/552854585.db2.gz INRJIBOTBUNRFY-NWDGAFQWSA-N 1 2 365.386 1.205 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)CO1 ZINC000597996308 552854586 /nfs/dbraw/zinc/85/45/86/552854586.db2.gz INRJIBOTBUNRFY-NWDGAFQWSA-N 1 2 365.386 1.205 20 5 FDBDLO Cn1c[nH+]c2cc(Nc3ncnc(N4CCOCC4)c3[N+](=O)[O-])ccc21 ZINC000598603700 552914218 /nfs/dbraw/zinc/91/42/18/552914218.db2.gz YZGQBYGNLZXGDY-UHFFFAOYSA-N 1 2 355.358 1.852 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000598606022 552914425 /nfs/dbraw/zinc/91/44/25/552914425.db2.gz FNWOVMQUEQAFGM-UHFFFAOYSA-N 1 2 371.459 1.289 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000598606022 552914427 /nfs/dbraw/zinc/91/44/27/552914427.db2.gz FNWOVMQUEQAFGM-UHFFFAOYSA-N 1 2 371.459 1.289 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598621109 552916858 /nfs/dbraw/zinc/91/68/58/552916858.db2.gz URXSZSMGSLVKTP-STQMWFEESA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598621109 552916859 /nfs/dbraw/zinc/91/68/59/552916859.db2.gz URXSZSMGSLVKTP-STQMWFEESA-N 1 2 371.459 1.287 20 5 FDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000598739280 552929962 /nfs/dbraw/zinc/92/99/62/552929962.db2.gz XAKWAEHPTUNVQC-SNVBAGLBSA-N 1 2 366.399 1.706 20 5 FDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598947746 552950332 /nfs/dbraw/zinc/95/03/32/552950332.db2.gz NJVMNQBULQTCPV-WCQYABFASA-N 1 2 373.369 1.120 20 5 FDBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)CC2 ZINC000599045157 552962023 /nfs/dbraw/zinc/96/20/23/552962023.db2.gz FHHPEZGQDFMDFG-AWEZNQCLSA-N 1 2 370.413 1.406 20 5 FDBDLO Nc1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc(CO)c1[N+](=O)[O-] ZINC000599184889 552980087 /nfs/dbraw/zinc/98/00/87/552980087.db2.gz LZDILVNUXVIKKY-MRXNPFEDSA-N 1 2 373.413 1.377 20 5 FDBDLO Nc1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc(CO)c1[N+](=O)[O-] ZINC000599184889 552980090 /nfs/dbraw/zinc/98/00/90/552980090.db2.gz LZDILVNUXVIKKY-MRXNPFEDSA-N 1 2 373.413 1.377 20 5 FDBDLO NC(=O)c1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599184938 552980367 /nfs/dbraw/zinc/98/03/67/552980367.db2.gz NCWIIMQTCHMJBW-OAHLLOKOSA-N 1 2 371.397 1.402 20 5 FDBDLO NC(=O)c1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599184938 552980369 /nfs/dbraw/zinc/98/03/69/552980369.db2.gz NCWIIMQTCHMJBW-OAHLLOKOSA-N 1 2 371.397 1.402 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000599218246 552990280 /nfs/dbraw/zinc/99/02/80/552990280.db2.gz BPIXQMDYQVLFFB-GFCCVEGCSA-N 1 2 371.394 1.049 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531236 553081767 /nfs/dbraw/zinc/08/17/67/553081767.db2.gz NVFNLMHMNQVUHE-VWYCJHECSA-N 1 2 357.794 1.108 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631791 553107916 /nfs/dbraw/zinc/10/79/16/553107916.db2.gz CEAYBVPIVGDDMI-VXMWWYGOSA-N 1 2 351.428 1.827 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631791 553107917 /nfs/dbraw/zinc/10/79/17/553107917.db2.gz CEAYBVPIVGDDMI-VXMWWYGOSA-N 1 2 351.428 1.827 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632266 553108707 /nfs/dbraw/zinc/10/87/07/553108707.db2.gz VGULXJCCOPAWTE-KLZBHDGLSA-N 1 2 351.428 1.907 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632266 553108711 /nfs/dbraw/zinc/10/87/11/553108711.db2.gz VGULXJCCOPAWTE-KLZBHDGLSA-N 1 2 351.428 1.907 20 5 FDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599693569 553123972 /nfs/dbraw/zinc/12/39/72/553123972.db2.gz YPYSSLQMUSCQDU-SNVBAGLBSA-N 1 2 363.386 1.634 20 5 FDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599693569 553123974 /nfs/dbraw/zinc/12/39/74/553123974.db2.gz YPYSSLQMUSCQDU-SNVBAGLBSA-N 1 2 363.386 1.634 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600230831 553233382 /nfs/dbraw/zinc/23/33/82/553233382.db2.gz DCBCOYIIRWEPAJ-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600230831 553233384 /nfs/dbraw/zinc/23/33/84/553233384.db2.gz DCBCOYIIRWEPAJ-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600417721 553264288 /nfs/dbraw/zinc/26/42/88/553264288.db2.gz AJODVTHIVYLWCZ-JTQLQIEISA-N 1 2 358.192 1.418 20 5 FDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600417721 553264289 /nfs/dbraw/zinc/26/42/89/553264289.db2.gz AJODVTHIVYLWCZ-JTQLQIEISA-N 1 2 358.192 1.418 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000600485378 553275432 /nfs/dbraw/zinc/27/54/32/553275432.db2.gz YBKVGWILGBFIPV-JYCPIGSLSA-N 1 2 374.422 1.906 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000600684481 553299822 /nfs/dbraw/zinc/29/98/22/553299822.db2.gz UGZHNBCGRSNJJM-MRXNPFEDSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000600684481 553299823 /nfs/dbraw/zinc/29/98/23/553299823.db2.gz UGZHNBCGRSNJJM-MRXNPFEDSA-N 1 2 370.409 1.929 20 5 FDBDLO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000600696895 553303129 /nfs/dbraw/zinc/30/31/29/553303129.db2.gz SJHKORJXXLNRKL-SJKOYZFVSA-N 1 2 355.354 1.573 20 5 FDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601127199 553350794 /nfs/dbraw/zinc/35/07/94/553350794.db2.gz BJSRLOJQQSVTLU-GFCCVEGCSA-N 1 2 351.382 1.262 20 5 FDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601170312 553355838 /nfs/dbraw/zinc/35/58/38/553355838.db2.gz OEWRQVHHAQWQCR-JTQLQIEISA-N 1 2 363.340 1.648 20 5 FDBDLO Cc1cc(S(=O)(=O)NCC[NH+]2CCSCC2)c([N+](=O)[O-])s1 ZINC000601344346 553380586 /nfs/dbraw/zinc/38/05/86/553380586.db2.gz XVSJREJRYSEVPE-UHFFFAOYSA-N 1 2 351.475 1.292 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCc3ccncc3)CC2)n1 ZINC000602199721 553538300 /nfs/dbraw/zinc/53/83/00/553538300.db2.gz QJCWZNKLPYWABA-UHFFFAOYSA-N 1 2 358.402 1.207 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602200599 553538490 /nfs/dbraw/zinc/53/84/90/553538490.db2.gz VDFUSPWDIYSXIX-UHFFFAOYSA-N 1 2 356.382 1.696 20 5 FDBDLO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602442209 553582152 /nfs/dbraw/zinc/58/21/52/553582152.db2.gz UWYXHQNTMAUXKR-UHFFFAOYSA-N 1 2 361.377 1.816 20 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COC1CC[NH+](Cc2cn(CCOc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000603199507 553730679 /nfs/dbraw/zinc/73/06/79/553730679.db2.gz BMDSFBWDFIXHBP-UHFFFAOYSA-N 1 2 361.402 1.876 20 5 FDBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000603833028 553819670 /nfs/dbraw/zinc/81/96/70/553819670.db2.gz GRFOHGXNPHMHNM-UHFFFAOYSA-N 1 2 373.413 1.453 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131746 554340692 /nfs/dbraw/zinc/34/06/92/554340692.db2.gz WUWAAVHACCLEPV-CJNGLKHVSA-N 1 2 371.397 1.773 20 5 FDBDLO C[NH+]1CCN(CCCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609314463 554363767 /nfs/dbraw/zinc/36/37/67/554363767.db2.gz IXBNVYNWVFRIDT-UHFFFAOYSA-N 1 2 374.438 1.040 20 5 FDBDLO CN1CC[NH+](CCCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000609314463 554363768 /nfs/dbraw/zinc/36/37/68/554363768.db2.gz IXBNVYNWVFRIDT-UHFFFAOYSA-N 1 2 374.438 1.040 20 5 FDBDLO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609448080 554377700 /nfs/dbraw/zinc/37/77/00/554377700.db2.gz UDDFJQQAWXBTEJ-HNNXBMFYSA-N 1 2 367.369 1.849 20 5 FDBDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)cn1 ZINC000609478189 554380844 /nfs/dbraw/zinc/38/08/44/554380844.db2.gz GRGLQHQIYPTNOK-UHFFFAOYSA-N 1 2 360.418 1.498 20 5 FDBDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)cn1 ZINC000609478189 554380846 /nfs/dbraw/zinc/38/08/46/554380846.db2.gz GRGLQHQIYPTNOK-UHFFFAOYSA-N 1 2 360.418 1.498 20 5 FDBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000609527174 554387822 /nfs/dbraw/zinc/38/78/22/554387822.db2.gz QZRTUCYHJKHJRN-UHFFFAOYSA-N 1 2 351.403 1.788 20 5 FDBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH+]ccn2c1 ZINC000609623132 554404002 /nfs/dbraw/zinc/40/40/02/554404002.db2.gz OQZNVWOIHLOHJD-UHFFFAOYSA-N 1 2 368.353 1.680 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609657303 554408121 /nfs/dbraw/zinc/40/81/21/554408121.db2.gz YWBCCPBJSCFLIC-UHFFFAOYSA-N 1 2 354.370 1.992 20 5 FDBDLO CN(C)c1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc[nH+]1 ZINC000610090593 554459457 /nfs/dbraw/zinc/45/94/57/554459457.db2.gz DXUFIADKGVMGSN-UHFFFAOYSA-N 1 2 372.385 1.119 20 5 FDBDLO COc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000610196733 554472543 /nfs/dbraw/zinc/47/25/43/554472543.db2.gz BBPISVRKQFLNEK-LLVKDONJSA-N 1 2 353.375 1.063 20 5 FDBDLO COc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000610196733 554472546 /nfs/dbraw/zinc/47/25/46/554472546.db2.gz BBPISVRKQFLNEK-LLVKDONJSA-N 1 2 353.375 1.063 20 5 FDBDLO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000611196250 554614269 /nfs/dbraw/zinc/61/42/69/554614269.db2.gz ZAWZMTPOMVUAMF-UHFFFAOYSA-N 1 2 364.383 1.903 20 5 FDBDLO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000611196250 554614271 /nfs/dbraw/zinc/61/42/71/554614271.db2.gz ZAWZMTPOMVUAMF-UHFFFAOYSA-N 1 2 364.383 1.903 20 5 FDBDLO COCC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611261395 554620229 /nfs/dbraw/zinc/62/02/29/554620229.db2.gz CEXUAUNGTXMQHH-UHFFFAOYSA-N 1 2 373.356 1.923 20 5 FDBDLO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000611274561 554621073 /nfs/dbraw/zinc/62/10/73/554621073.db2.gz DCOUMLVSKXTVGS-UHFFFAOYSA-N 1 2 372.381 1.501 20 5 FDBDLO CCn1nc2c(cc1=O)C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000611274561 554621075 /nfs/dbraw/zinc/62/10/75/554621075.db2.gz DCOUMLVSKXTVGS-UHFFFAOYSA-N 1 2 372.381 1.501 20 5 FDBDLO Cc1cn2c([nH+]1)CN(c1ccc(C(=O)N3CCOCC3)cc1[N+](=O)[O-])CC2 ZINC000611764213 554677509 /nfs/dbraw/zinc/67/75/09/554677509.db2.gz ICEROIKWSLPXMZ-UHFFFAOYSA-N 1 2 371.397 1.592 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)CC2 ZINC000611847477 554690240 /nfs/dbraw/zinc/69/02/40/554690240.db2.gz RIPWFOIHVKSYGO-LBPRGKRZSA-N 1 2 373.369 1.340 20 5 FDBDLO COc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611890553 554697526 /nfs/dbraw/zinc/69/75/26/554697526.db2.gz MWPWDKQBLVHFFU-CYBMUJFWSA-N 1 2 373.369 1.602 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000612031045 554722555 /nfs/dbraw/zinc/72/25/55/554722555.db2.gz NZSYJPITFDUWSP-SUNKGSAMSA-N 1 2 364.320 1.986 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000612031045 554722557 /nfs/dbraw/zinc/72/25/57/554722557.db2.gz NZSYJPITFDUWSP-SUNKGSAMSA-N 1 2 364.320 1.986 20 5 FDBDLO C[N@@H+](Cc1nnc2ccccn21)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086942 554731786 /nfs/dbraw/zinc/73/17/86/554731786.db2.gz FDGSTCILIYUBNM-CYBMUJFWSA-N 1 2 357.370 1.509 20 5 FDBDLO C[N@H+](Cc1nnc2ccccn21)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086942 554731788 /nfs/dbraw/zinc/73/17/88/554731788.db2.gz FDGSTCILIYUBNM-CYBMUJFWSA-N 1 2 357.370 1.509 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)Nc2cc[nH+]cc2N(C)C)ccc1[N+](=O)[O-] ZINC000614050656 555002507 /nfs/dbraw/zinc/00/25/07/555002507.db2.gz UGLFYCAINVYMRY-UHFFFAOYSA-N 1 2 357.370 1.155 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000617243819 555406653 /nfs/dbraw/zinc/40/66/53/555406653.db2.gz XIGMJQVONJOKPX-OCCSQVGLSA-N 1 2 357.432 1.209 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000617243819 555406657 /nfs/dbraw/zinc/40/66/57/555406657.db2.gz XIGMJQVONJOKPX-OCCSQVGLSA-N 1 2 357.432 1.209 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619077112 555722186 /nfs/dbraw/zinc/72/21/86/555722186.db2.gz QLCACUOWAKTLCH-ZDUSSCGKSA-N 1 2 351.403 1.519 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000619304363 555760347 /nfs/dbraw/zinc/76/03/47/555760347.db2.gz QSZJHFQZZWFPFV-HNNXBMFYSA-N 1 2 355.402 1.693 20 5 FDBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736123268 599093657 /nfs/dbraw/zinc/09/36/57/599093657.db2.gz ASMZPVVFGKQWBI-BMIGLBTASA-N 1 2 367.369 1.652 20 5 FDBDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000119396943 671674136 /nfs/dbraw/zinc/67/41/36/671674136.db2.gz HRFALXIWKWJVDK-PHIMTYICSA-N 1 2 363.461 1.434 20 5 FDBDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000119396943 671674137 /nfs/dbraw/zinc/67/41/37/671674137.db2.gz HRFALXIWKWJVDK-PHIMTYICSA-N 1 2 363.461 1.434 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000122352124 671715675 /nfs/dbraw/zinc/71/56/75/671715675.db2.gz SWUZXNRMICPPGT-TXEJJXNPSA-N 1 2 353.423 1.452 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000122352124 671715678 /nfs/dbraw/zinc/71/56/78/671715678.db2.gz SWUZXNRMICPPGT-TXEJJXNPSA-N 1 2 353.423 1.452 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000122352124 671715679 /nfs/dbraw/zinc/71/56/79/671715679.db2.gz SWUZXNRMICPPGT-TXEJJXNPSA-N 1 2 353.423 1.452 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000122352124 671715682 /nfs/dbraw/zinc/71/56/82/671715682.db2.gz SWUZXNRMICPPGT-TXEJJXNPSA-N 1 2 353.423 1.452 20 5 FDBDLO COc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000193935929 672376001 /nfs/dbraw/zinc/37/60/01/672376001.db2.gz WSFHZWIGIIYRFA-AWEZNQCLSA-N 1 2 351.403 1.690 20 5 FDBDLO CCOC(=O)c1ccnc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265579706 672945751 /nfs/dbraw/zinc/94/57/51/672945751.db2.gz MXUJPAHOLYUWOW-NWDGAFQWSA-N 1 2 352.391 1.688 20 5 FDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278819224 675202315 /nfs/dbraw/zinc/20/23/15/675202315.db2.gz HHLXZMYLCGTEMS-MGPLVRAMSA-N 1 2 366.805 1.787 20 5 FDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278819224 675202319 /nfs/dbraw/zinc/20/23/19/675202319.db2.gz HHLXZMYLCGTEMS-MGPLVRAMSA-N 1 2 366.805 1.787 20 5 FDBDLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279070808 675238758 /nfs/dbraw/zinc/23/87/58/675238758.db2.gz AJGVEORWHCTBSS-HIFRSBDPSA-N 1 2 356.444 1.994 20 5 FDBDLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279070808 675238760 /nfs/dbraw/zinc/23/87/60/675238760.db2.gz AJGVEORWHCTBSS-HIFRSBDPSA-N 1 2 356.444 1.994 20 5 FDBDLO CC1(C)OCC(CO)([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CO1 ZINC000279335571 675278108 /nfs/dbraw/zinc/27/81/08/675278108.db2.gz UKHRAPWOYRKLDS-UHFFFAOYSA-N 1 2 373.793 1.290 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000279420324 675291748 /nfs/dbraw/zinc/29/17/48/675291748.db2.gz XXKGBOXXZSWQQL-LBPRGKRZSA-N 1 2 355.822 1.970 20 5 FDBDLO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000285279030 675815152 /nfs/dbraw/zinc/81/51/52/675815152.db2.gz RDSOFKIOGHXJQG-LLVKDONJSA-N 1 2 354.388 1.520 20 5 FDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416651981 679705891 /nfs/dbraw/zinc/70/58/91/679705891.db2.gz BLABOKUVIAABTJ-UONOGXRCSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416651981 679705894 /nfs/dbraw/zinc/70/58/94/679705894.db2.gz BLABOKUVIAABTJ-UONOGXRCSA-N 1 2 371.459 1.287 20 5 FDBDLO CNC(=O)C[N@@H+]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000361256875 676888687 /nfs/dbraw/zinc/88/86/87/676888687.db2.gz FHJWRVLEUZWMHK-UHFFFAOYSA-N 1 2 372.223 1.010 20 5 FDBDLO CNC(=O)C[N@H+]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000361256875 676888689 /nfs/dbraw/zinc/88/86/89/676888689.db2.gz FHJWRVLEUZWMHK-UHFFFAOYSA-N 1 2 372.223 1.010 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000361981710 676904981 /nfs/dbraw/zinc/90/49/81/676904981.db2.gz OPOFCQWUOUOTHO-CABCVRRESA-N 1 2 369.443 1.123 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364137093 676994687 /nfs/dbraw/zinc/99/46/87/676994687.db2.gz SYDCCGMPZHTUAA-AWEZNQCLSA-N 1 2 371.484 1.715 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000364836465 677055010 /nfs/dbraw/zinc/05/50/10/677055010.db2.gz BNACBBZEWCGSHM-QFYYESIMSA-N 1 2 366.805 1.787 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000364836465 677055011 /nfs/dbraw/zinc/05/50/11/677055011.db2.gz BNACBBZEWCGSHM-QFYYESIMSA-N 1 2 366.805 1.787 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378259075 678730108 /nfs/dbraw/zinc/73/01/08/678730108.db2.gz BHVCAZGOTKMXCF-LLVKDONJSA-N 1 2 366.399 1.515 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000412439923 679185415 /nfs/dbraw/zinc/18/54/15/679185415.db2.gz YPBNUJFSLULGHP-UHFFFAOYSA-N 1 2 355.366 1.153 20 5 FDBDLO Cc1cc(S(=O)(=O)NCC[NH+]2CCSCC2)c(C)cc1[N+](=O)[O-] ZINC000416392566 679601218 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CC(C)[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000488030065 687022885 /nfs/dbraw/zinc/02/28/85/687022885.db2.gz YCIQSSONMCGOSP-INIZCTEOSA-N 1 2 355.460 1.641 20 5 FDBDLO C[C@@H]1C[C@@H]1C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000488323172 687038119 /nfs/dbraw/zinc/03/81/19/687038119.db2.gz BKIFOCYVSXEZFJ-CHWSQXEVSA-N 1 2 353.444 1.776 20 5 FDBDLO COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000497428752 687675297 /nfs/dbraw/zinc/67/52/97/687675297.db2.gz LNHZMWGJNYBBRR-UHFFFAOYSA-N 1 2 353.375 1.016 20 5 FDBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000507907889 688689288 /nfs/dbraw/zinc/68/92/88/688689288.db2.gz IQFKKBGTODLWCC-QWRGUYRKSA-N 1 2 371.415 1.079 20 5 FDBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000507907889 688689298 /nfs/dbraw/zinc/68/92/98/688689298.db2.gz IQFKKBGTODLWCC-QWRGUYRKSA-N 1 2 371.415 1.079 20 5 FDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H](C)C1 ZINC000511348665 689512614 /nfs/dbraw/zinc/51/26/14/689512614.db2.gz YBKXKZJSLALYPV-GFCCVEGCSA-N 1 2 364.427 1.858 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@H](C)C1 ZINC000511348665 689512617 /nfs/dbraw/zinc/51/26/17/689512617.db2.gz YBKXKZJSLALYPV-GFCCVEGCSA-N 1 2 364.427 1.858 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000512815843 689642200 /nfs/dbraw/zinc/64/22/00/689642200.db2.gz FCMZYAKAZQCJLP-LLVKDONJSA-N 1 2 364.370 1.930 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000512815843 689642205 /nfs/dbraw/zinc/64/22/05/689642205.db2.gz FCMZYAKAZQCJLP-LLVKDONJSA-N 1 2 364.370 1.930 20 5 FDBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261615266 774271391 /nfs/dbraw/zinc/27/13/91/774271391.db2.gz APEOPXUCYBNHCC-UHFFFAOYSA-N 1 2 374.376 1.448 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 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/nfs/dbraw/zinc/57/64/57/807576457.db2.gz KKSBFOHZPYIYTJ-HUUCEWRRSA-N 1 2 361.398 1.157 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCc2c(F)cccc2F)CC1 ZINC000981138120 807578579 /nfs/dbraw/zinc/57/85/79/807578579.db2.gz KUUVZYBZTLVDKM-CZUORRHYSA-N 1 2 353.369 1.707 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCc2c(F)cccc2F)CC1 ZINC000981138120 807578586 /nfs/dbraw/zinc/57/85/86/807578586.db2.gz KUUVZYBZTLVDKM-CZUORRHYSA-N 1 2 353.369 1.707 20 5 FDBDLO O=C1C[C@H]([N@@H+]2CC[C@@H](COC(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000504401431 815235220 /nfs/dbraw/zinc/23/52/20/815235220.db2.gz NZSNOVHRQSILEC-MFKMUULPSA-N 1 2 369.324 1.788 20 5 FDBDLO O=C1C[C@H]([N@H+]2CC[C@@H](COC(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000504401431 815235224 /nfs/dbraw/zinc/23/52/24/815235224.db2.gz NZSNOVHRQSILEC-MFKMUULPSA-N 1 2 369.324 1.788 20 5 FDBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418718296 809155182 /nfs/dbraw/zinc/15/51/82/809155182.db2.gz 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C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000503211971 814801592 /nfs/dbraw/zinc/80/15/92/814801592.db2.gz SUGVXVWSLDKACJ-OAHLLOKOSA-N 1 2 372.425 1.908 20 5 FDBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000503211971 814801593 /nfs/dbraw/zinc/80/15/93/814801593.db2.gz SUGVXVWSLDKACJ-OAHLLOKOSA-N 1 2 372.425 1.908 20 5 FDBDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1(F)F ZINC000894964363 819406947 /nfs/dbraw/zinc/40/69/47/819406947.db2.gz YFHMAQBCVIFXLH-CMPLNLGQSA-N 1 2 356.329 1.166 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473987041 819858424 /nfs/dbraw/zinc/85/84/24/819858424.db2.gz FHGLFGUFQCSQHX-CQSZACIVSA-N 1 2 367.377 1.297 20 5 FDBDLO CNc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000521155043 821104681 /nfs/dbraw/zinc/10/46/81/821104681.db2.gz PFSRIEXFRPZXLX-OAHLLOKOSA-N 1 2 362.430 1.963 20 5 FDBDLO CC[C@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C 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CN(C(=O)C[N@H+]1CCCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361561709 988416264 /nfs/dbraw/zinc/41/62/64/988416264.db2.gz HEJRUXSPZIPKRN-UHFFFAOYSA-N 1 2 370.413 1.560 20 5 FDBDLO CCOCCNC(=O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370284109 989621974 /nfs/dbraw/zinc/62/19/74/989621974.db2.gz ZCVCQNBYHAYCLF-UHFFFAOYSA-N 1 2 362.430 1.727 20 5 FDBDLO CCOCCNC(=O)C[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000370284109 989621982 /nfs/dbraw/zinc/62/19/82/989621982.db2.gz ZCVCQNBYHAYCLF-UHFFFAOYSA-N 1 2 362.430 1.727 20 5 FDBDLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000411341650 992345780 /nfs/dbraw/zinc/34/57/80/992345780.db2.gz CXWMFVWSTBETEG-CQSZACIVSA-N 1 2 369.381 1.632 20 5 FDBDLO Cc1nccnc1N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000374146841 992644842 /nfs/dbraw/zinc/64/48/42/992644842.db2.gz UIUOEDVBVLEMNA-HNNXBMFYSA-N 1 2 373.413 1.255 20 5 FDBDLO C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CC1=O ZINC000876568364 992710332 /nfs/dbraw/zinc/71/03/32/992710332.db2.gz LFECBHSCTHOHBQ-JTQLQIEISA-N 1 2 354.794 1.027 20 5 FDBDLO O=C(N[C@H](CO)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412724801 992977176 /nfs/dbraw/zinc/97/71/76/992977176.db2.gz VGFRKJYVIPIKIK-ZIAGYGMSSA-N 1 2 360.370 1.298 20 5 FDBDLO CCOC(=O)[C@@]1(F)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC12CCC2 ZINC000878887489 994326728 /nfs/dbraw/zinc/32/67/28/994326728.db2.gz USRJNBHYPUWPIX-INIZCTEOSA-N 1 2 354.382 1.857 20 5 FDBDLO CCOC(=O)[C@@]1(F)C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC12CCC2 ZINC000878887489 994326738 /nfs/dbraw/zinc/32/67/38/994326738.db2.gz USRJNBHYPUWPIX-INIZCTEOSA-N 1 2 354.382 1.857 20 5 FDBDLO CCc1nn(C)c(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1[N+](=O)[O-] ZINC000271323624 999691763 /nfs/dbraw/zinc/69/17/63/999691763.db2.gz URIRIFSSOSFBGG-UHFFFAOYSA-N 1 2 361.450 1.563 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000285666321 999917753 /nfs/dbraw/zinc/91/77/53/999917753.db2.gz FPGALIZZGLJMGE-XJKSGUPXSA-N 1 2 372.425 1.940 20 5 FDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000286907390 999953473 /nfs/dbraw/zinc/95/34/73/999953473.db2.gz OKLKVDMUCUSCFA-PBHICJAKSA-N 1 2 362.430 1.642 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289173246 1000079526 /nfs/dbraw/zinc/07/95/26/1000079526.db2.gz FMDGVMNUCKTTNK-NEPJUHHUSA-N 1 2 374.401 1.521 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289173246 1000079528 /nfs/dbraw/zinc/07/95/28/1000079528.db2.gz FMDGVMNUCKTTNK-NEPJUHHUSA-N 1 2 374.401 1.521 20 5 FDBDLO COC(=O)c1cc(NC(=O)N2CCn3c[nH+]cc3C2)c(C)c([N+](=O)[O-])c1 ZINC000289575104 1000107454 /nfs/dbraw/zinc/10/74/54/1000107454.db2.gz DNFFWWZFUIVGTK-UHFFFAOYSA-N 1 2 359.342 1.934 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289724690 1000115447 /nfs/dbraw/zinc/11/54/47/1000115447.db2.gz IQBQLUABSWHLKP-CKEIUWERSA-N 1 2 362.430 1.717 20 5 FDBDLO CCOc1ccc(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000928635496 1001593620 /nfs/dbraw/zinc/59/36/20/1001593620.db2.gz DKSXMWXYMIMVDZ-AWEZNQCLSA-N 1 2 351.403 1.834 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000930585899 1003292815 /nfs/dbraw/zinc/29/28/15/1003292815.db2.gz TZSSIBYUWXYGJS-JKIFEVAISA-N 1 2 361.398 1.157 20 5 FDBDLO COc1ccc(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000930768247 1003486444 /nfs/dbraw/zinc/48/64/44/1003486444.db2.gz FUHOKNKQLDNYCS-LBPRGKRZSA-N 1 2 352.391 1.788 20 5 FDBDLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000795748219 1008167961 /nfs/dbraw/zinc/16/79/61/1008167961.db2.gz BXFMIASTNGZWOU-MEDUHNTESA-N 1 2 350.375 1.286 20 5 FDBDLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000795748219 1008167962 /nfs/dbraw/zinc/16/79/62/1008167962.db2.gz BXFMIASTNGZWOU-MEDUHNTESA-N 1 2 350.375 1.286 20 5 FDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCOc2ccc(Cl)cc2)C1 ZINC000950056167 1008701605 /nfs/dbraw/zinc/70/16/05/1008701605.db2.gz VMUXUHNGXKKZKU-HZPDHXFCSA-N 1 2 367.833 1.917 20 5 FDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCOc2cccc(Cl)c2)C1 ZINC000950056145 1008701948 /nfs/dbraw/zinc/70/19/48/1008701948.db2.gz UVJZLAAEAZMSCU-HZPDHXFCSA-N 1 2 367.833 1.917 20 5 FDBDLO O=C(NC1CC2(C1)CC([NH2+]Cc1nc(C3CC3)no1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963792568 1012702371 /nfs/dbraw/zinc/70/23/71/1012702371.db2.gz ZHTGUJNIKWFEJT-UETSVZEDSA-N 1 2 361.402 1.129 20 5 FDBDLO COc1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000510379931 538955170 /nfs/dbraw/zinc/95/51/70/538955170.db2.gz OZKQOVPPULULIC-AWEZNQCLSA-N 1 2 366.399 1.767 20 5 FDBDLO Cn1cc(C[NH+]2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000517313872 539361971 /nfs/dbraw/zinc/36/19/71/539361971.db2.gz URVJMMJEKASXTE-UHFFFAOYSA-N 1 2 372.429 1.475 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1SC ZINC000264108443 179028904 /nfs/dbraw/zinc/02/89/04/179028904.db2.gz IMJFTYBWQCCHGN-NSHDSACASA-N 1 2 369.443 1.776 20 5 FDBDLO CCN(CC)S(=O)(=O)c1ccc(NCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000264261734 179062575 /nfs/dbraw/zinc/06/25/75/179062575.db2.gz DCGHVUVJZVROMO-UHFFFAOYSA-N 1 2 367.431 1.971 20 5 FDBDLO O=[N+]([O-])c1c(Nc2cnn(CC[NH+]3CCOCC3)c2)nc2sccn21 ZINC000264317189 179076204 /nfs/dbraw/zinc/07/62/04/179076204.db2.gz PHARXVMCEYVJTM-UHFFFAOYSA-N 1 2 363.403 1.576 20 5 FDBDLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000264760268 179191886 /nfs/dbraw/zinc/19/18/86/179191886.db2.gz OCIGDETVQYQYLG-HNNXBMFYSA-N 1 2 358.398 1.596 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264939626 179246256 /nfs/dbraw/zinc/24/62/56/179246256.db2.gz SNBUOOCXLWMNIH-TZMCWYRMSA-N 1 2 360.432 1.090 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264939626 179246258 /nfs/dbraw/zinc/24/62/58/179246258.db2.gz SNBUOOCXLWMNIH-TZMCWYRMSA-N 1 2 360.432 1.090 20 5 FDBDLO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269209565 180243875 /nfs/dbraw/zinc/24/38/75/180243875.db2.gz VOBQBXRVNFPDFX-ZDUSSCGKSA-N 1 2 350.419 1.304 20 5 FDBDLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269209565 180243878 /nfs/dbraw/zinc/24/38/78/180243878.db2.gz VOBQBXRVNFPDFX-ZDUSSCGKSA-N 1 2 350.419 1.304 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000269435563 180302558 /nfs/dbraw/zinc/30/25/58/180302558.db2.gz CXOHUZDHTOIDNQ-NWDGAFQWSA-N 1 2 351.407 1.234 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000269435563 180302560 /nfs/dbraw/zinc/30/25/60/180302560.db2.gz CXOHUZDHTOIDNQ-NWDGAFQWSA-N 1 2 351.407 1.234 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274902240 181190283 /nfs/dbraw/zinc/19/02/83/181190283.db2.gz QCWWIUFIGCGXNV-OAHLLOKOSA-N 1 2 372.381 1.326 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274902240 181190287 /nfs/dbraw/zinc/19/02/87/181190287.db2.gz QCWWIUFIGCGXNV-OAHLLOKOSA-N 1 2 372.381 1.326 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000275062134 181228061 /nfs/dbraw/zinc/22/80/61/181228061.db2.gz JVPSPCVSIUCRLG-HNNXBMFYSA-N 1 2 364.427 1.843 20 5 FDBDLO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1[NH+]1CCCC1 ZINC000275084380 181233774 /nfs/dbraw/zinc/23/37/74/181233774.db2.gz GDOJWIIXQURJTI-HIFRSBDPSA-N 1 2 351.428 1.952 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)cn1 ZINC000535785913 540510211 /nfs/dbraw/zinc/51/02/11/540510211.db2.gz QRBMWXDIWGCKRA-UHFFFAOYSA-N 1 2 369.429 1.702 20 5 FDBDLO Cc1cnc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000536242177 540571405 /nfs/dbraw/zinc/57/14/05/540571405.db2.gz AZKXIYLAJSZTIZ-UHFFFAOYSA-N 1 2 352.354 1.851 20 5 FDBDLO O=C(NCCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000537425722 540729065 /nfs/dbraw/zinc/72/90/65/540729065.db2.gz VVRMXIAUJXIARG-UHFFFAOYSA-N 1 2 373.413 1.838 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000537578424 540746285 /nfs/dbraw/zinc/74/62/85/540746285.db2.gz JVAAIJSEQRIKNE-LLVKDONJSA-N 1 2 369.805 1.958 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000537578424 540746287 /nfs/dbraw/zinc/74/62/87/540746287.db2.gz JVAAIJSEQRIKNE-LLVKDONJSA-N 1 2 369.805 1.958 20 5 FDBDLO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000537937524 540793260 /nfs/dbraw/zinc/79/32/60/540793260.db2.gz OULBAFJBYIXLON-SNVBAGLBSA-N 1 2 356.429 1.680 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000538628599 540874154 /nfs/dbraw/zinc/87/41/54/540874154.db2.gz RGKRQQBHZDFVRX-LBPRGKRZSA-N 1 2 351.407 1.433 20 5 FDBDLO 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JJQKUNXOITVUJC-SKDRFNHKSA-N 1 2 363.823 1.246 20 5 FDBDLO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000125760285 525231997 /nfs/dbraw/zinc/23/19/97/525231997.db2.gz JJQKUNXOITVUJC-SKDRFNHKSA-N 1 2 363.823 1.246 20 5 FDBDLO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1CCOC ZINC000153695944 525289950 /nfs/dbraw/zinc/28/99/50/525289950.db2.gz YGKOWTMZGFPXPW-CQSZACIVSA-N 1 2 351.403 1.873 20 5 FDBDLO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1CCOC ZINC000153695944 525289956 /nfs/dbraw/zinc/28/99/56/525289956.db2.gz YGKOWTMZGFPXPW-CQSZACIVSA-N 1 2 351.403 1.873 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000117372646 525332941 /nfs/dbraw/zinc/33/29/41/525332941.db2.gz PEBCSOYYFLZDSD-AWEZNQCLSA-N 1 2 371.459 1.635 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000117372646 525332945 /nfs/dbraw/zinc/33/29/45/525332945.db2.gz PEBCSOYYFLZDSD-AWEZNQCLSA-N 1 2 371.459 1.635 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000178034093 525373108 /nfs/dbraw/zinc/37/31/08/525373108.db2.gz WMUMTGMFYMFWOG-UHFFFAOYSA-N 1 2 353.338 1.806 20 5 FDBDLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104076101 525390256 /nfs/dbraw/zinc/39/02/56/525390256.db2.gz BEUMUXDKELYQIX-ZJUUUORDSA-N 1 2 354.794 1.773 20 5 FDBDLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104076101 525390265 /nfs/dbraw/zinc/39/02/65/525390265.db2.gz BEUMUXDKELYQIX-ZJUUUORDSA-N 1 2 354.794 1.773 20 5 FDBDLO Cc1ccc2[nH+]c(CSCC(=O)NCCn3cc([N+](=O)[O-])cn3)cn2c1 ZINC000164431345 525508262 /nfs/dbraw/zinc/50/82/62/525508262.db2.gz KGRXISNDTAXOGI-UHFFFAOYSA-N 1 2 374.426 1.797 20 5 FDBDLO Cc1c(Br)c(N2CCC[N@H+](CCO)CC2)ncc1[N+](=O)[O-] ZINC000165850603 525562020 /nfs/dbraw/zinc/56/20/20/525562020.db2.gz RBQBRCVNHVFUSY-UHFFFAOYSA-N 1 2 359.224 1.565 20 5 FDBDLO Cc1c(Br)c(N2CCC[N@@H+](CCO)CC2)ncc1[N+](=O)[O-] ZINC000165850603 525562028 /nfs/dbraw/zinc/56/20/28/525562028.db2.gz RBQBRCVNHVFUSY-UHFFFAOYSA-N 1 2 359.224 1.565 20 5 FDBDLO O=C(c1cccc(O)c1)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154563235 525574419 /nfs/dbraw/zinc/57/44/19/525574419.db2.gz VJSGUEAWQTVIFO-GOSISDBHSA-N 1 2 371.393 1.792 20 5 FDBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000154579759 525580910 /nfs/dbraw/zinc/58/09/10/525580910.db2.gz ZRORDNUMXYIMLB-NSHDSACASA-N 1 2 352.354 1.875 20 5 FDBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000179644723 525609187 /nfs/dbraw/zinc/60/91/87/525609187.db2.gz WTMXTKWRXACRMF-ZDUSSCGKSA-N 1 2 373.413 1.856 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106334648 525695294 /nfs/dbraw/zinc/69/52/94/525695294.db2.gz LYAXKSXDWIOQTG-UHFFFAOYSA-N 1 2 372.429 1.398 20 5 FDBDLO O=C(C[C@@H]1COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000119325081 525708620 /nfs/dbraw/zinc/70/86/20/525708620.db2.gz 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CC1(C)COCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171870069 526161774 /nfs/dbraw/zinc/16/17/74/526161774.db2.gz OYLXGHZLNBBKPV-UHFFFAOYSA-N 1 2 374.397 1.277 20 5 FDBDLO COCCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000109762793 526177616 /nfs/dbraw/zinc/17/76/16/526177616.db2.gz PKIRBYAVTLBKMD-OAHLLOKOSA-N 1 2 356.444 1.929 20 5 FDBDLO COCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000109762793 526177622 /nfs/dbraw/zinc/17/76/22/526177622.db2.gz PKIRBYAVTLBKMD-OAHLLOKOSA-N 1 2 356.444 1.929 20 5 FDBDLO O=C(NCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000110176281 526226823 /nfs/dbraw/zinc/22/68/23/526226823.db2.gz DDBRUKZRMHLYLU-LLVKDONJSA-N 1 2 363.399 1.274 20 5 FDBDLO C[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)Cn1cc[nH+]c1 ZINC000183180171 535937918 /nfs/dbraw/zinc/93/79/18/535937918.db2.gz QDGFGARCXSYKLQ-MLGOLLRUSA-N 1 2 357.370 1.737 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000185065339 536197266 /nfs/dbraw/zinc/19/72/66/536197266.db2.gz SKSLIQTXZSIKKF-AWEZNQCLSA-N 1 2 354.384 1.675 20 5 FDBDLO CCC1(CC)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185267895 536204018 /nfs/dbraw/zinc/20/40/18/536204018.db2.gz HSJTWTKDNUUGEW-MQNRADLISA-N 1 2 370.471 1.958 20 5 FDBDLO CCC1(CC)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185267895 536204019 /nfs/dbraw/zinc/20/40/19/536204019.db2.gz HSJTWTKDNUUGEW-MQNRADLISA-N 1 2 370.471 1.958 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000188692260 536928779 /nfs/dbraw/zinc/92/87/79/536928779.db2.gz LZGUTPOQPQUKAE-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000188692260 536928782 /nfs/dbraw/zinc/92/87/82/536928782.db2.gz LZGUTPOQPQUKAE-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000189090563 536995041 /nfs/dbraw/zinc/99/50/41/536995041.db2.gz LXJCSVOTGCWMHI-UHFFFAOYSA-N 1 2 357.432 1.158 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000189090563 536995043 /nfs/dbraw/zinc/99/50/43/536995043.db2.gz LXJCSVOTGCWMHI-UHFFFAOYSA-N 1 2 357.432 1.158 20 5 FDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000268025792 537007269 /nfs/dbraw/zinc/00/72/69/537007269.db2.gz JGOLFFYAECZOKG-GFCCVEGCSA-N 1 2 374.401 1.264 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263784490 537098295 /nfs/dbraw/zinc/09/82/95/537098295.db2.gz MGDZPEMBOMJYSC-UHFFFAOYSA-N 1 2 350.400 1.915 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000247579520 537137399 /nfs/dbraw/zinc/13/73/99/537137399.db2.gz SPOZYBYOTICGGL-CVEARBPZSA-N 1 2 350.350 1.365 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000247579520 537137404 /nfs/dbraw/zinc/13/74/04/537137404.db2.gz SPOZYBYOTICGGL-CVEARBPZSA-N 1 2 350.350 1.365 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000191762899 537212020 /nfs/dbraw/zinc/21/20/20/537212020.db2.gz AFSKVNHRMKRLKZ-CYBMUJFWSA-N 1 2 353.423 1.288 20 5 FDBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000248962452 537222976 /nfs/dbraw/zinc/22/29/76/537222976.db2.gz BHCAKCUTSSCDBH-MAZHCROVSA-N 1 2 361.398 1.831 20 5 FDBDLO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000248962452 537222978 /nfs/dbraw/zinc/22/29/78/537222978.db2.gz BHCAKCUTSSCDBH-MAZHCROVSA-N 1 2 361.398 1.831 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285927745 537368623 /nfs/dbraw/zinc/36/86/23/537368623.db2.gz LPAUGAXDCKJISH-RHSMWYFYSA-N 1 2 374.441 1.279 20 5 FDBDLO CO[C@H](C)c1noc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000273364325 537435701 /nfs/dbraw/zinc/43/57/01/537435701.db2.gz QXTPEOSCYIIKBP-VXGBXAGGSA-N 1 2 366.374 1.557 20 5 FDBDLO 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552015845 /nfs/dbraw/zinc/01/58/45/552015845.db2.gz UDACGVOCHSSYFD-DGCLKSJQSA-N 1 2 358.354 1.662 20 5 FDBDLO Cn1cnc(CCCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000592675081 552017950 /nfs/dbraw/zinc/01/79/50/552017950.db2.gz NNZSZWWBYKTYCM-UHFFFAOYSA-N 1 2 355.358 1.272 20 5 FDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000593028066 552054343 /nfs/dbraw/zinc/05/43/43/552054343.db2.gz BJLDAGZVNZULPI-UHFFFAOYSA-N 1 2 374.372 1.824 20 5 FDBDLO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593190298 552071373 /nfs/dbraw/zinc/07/13/73/552071373.db2.gz IKUNKSSPNAGAGP-UTUOFQBUSA-N 1 2 369.443 1.551 20 5 FDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593190298 552071374 /nfs/dbraw/zinc/07/13/74/552071374.db2.gz IKUNKSSPNAGAGP-UTUOFQBUSA-N 1 2 369.443 1.551 20 5 FDBDLO CCC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000593570203 552138268 /nfs/dbraw/zinc/13/82/68/552138268.db2.gz UVRADVQAGFTXHA-AWEZNQCLSA-N 1 2 372.447 1.111 20 5 FDBDLO CCC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000593570203 552138270 /nfs/dbraw/zinc/13/82/70/552138270.db2.gz UVRADVQAGFTXHA-AWEZNQCLSA-N 1 2 372.447 1.111 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C(C)(C)C1 ZINC000593658306 552166090 /nfs/dbraw/zinc/16/60/90/552166090.db2.gz SQTSSVUJHFVCBF-UHFFFAOYSA-N 1 2 371.459 1.635 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C(C)(C)C1 ZINC000593658306 552166092 /nfs/dbraw/zinc/16/60/92/552166092.db2.gz SQTSSVUJHFVCBF-UHFFFAOYSA-N 1 2 371.459 1.635 20 5 FDBDLO COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000593840098 552207095 /nfs/dbraw/zinc/20/70/95/552207095.db2.gz TVIKIFZUAMTENC-NHYWBVRUSA-N 1 2 374.353 1.183 20 5 FDBDLO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593882716 552216403 /nfs/dbraw/zinc/21/64/03/552216403.db2.gz 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361.406 1.843 20 5 FDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000594542984 552331358 /nfs/dbraw/zinc/33/13/58/552331358.db2.gz KAAOSSYTZGBHIS-UHFFFAOYSA-N 1 2 350.419 1.594 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1(C)C ZINC000594777564 552380579 /nfs/dbraw/zinc/38/05/79/552380579.db2.gz WFBWEWBAHRWJKZ-NSHDSACASA-N 1 2 351.388 1.495 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000594942752 552425319 /nfs/dbraw/zinc/42/53/19/552425319.db2.gz KZHGZYOWLCFNGO-UHFFFAOYSA-N 1 2 350.400 1.301 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000594942353 552425322 /nfs/dbraw/zinc/42/53/22/552425322.db2.gz HFHKHUNWELJCID-UHFFFAOYSA-N 1 2 365.415 1.475 20 5 FDBDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594965413 552428019 /nfs/dbraw/zinc/42/80/19/552428019.db2.gz HIUKAIQPKOEHLC-PWSUYJOCSA-N 1 2 366.342 1.098 20 5 FDBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595289567 552513817 /nfs/dbraw/zinc/51/38/17/552513817.db2.gz UHPRCUXYFCXRDH-CYBMUJFWSA-N 1 2 352.410 1.766 20 5 FDBDLO Cc1noc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595382339 552543216 /nfs/dbraw/zinc/54/32/16/552543216.db2.gz FUDPILHVDHCRQY-SNVBAGLBSA-N 1 2 358.362 1.040 20 5 FDBDLO Cc1noc(C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595382339 552543218 /nfs/dbraw/zinc/54/32/18/552543218.db2.gz FUDPILHVDHCRQY-SNVBAGLBSA-N 1 2 358.362 1.040 20 5 FDBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000595475287 552569005 /nfs/dbraw/zinc/56/90/05/552569005.db2.gz HHZQHLROYPMGTJ-UHFFFAOYSA-N 1 2 357.407 1.734 20 5 FDBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000595475287 552569006 /nfs/dbraw/zinc/56/90/06/552569006.db2.gz HHZQHLROYPMGTJ-UHFFFAOYSA-N 1 2 357.407 1.734 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595489450 552571218 /nfs/dbraw/zinc/57/12/18/552571218.db2.gz SKSASHADNAYMQZ-UHFFFAOYSA-N 1 2 359.390 1.422 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547418 552582139 /nfs/dbraw/zinc/58/21/39/552582139.db2.gz OCSCHLQYSYKISU-UHFFFAOYSA-N 1 2 351.319 1.153 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595547418 552582140 /nfs/dbraw/zinc/58/21/40/552582140.db2.gz OCSCHLQYSYKISU-UHFFFAOYSA-N 1 2 351.319 1.153 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000595743843 552609846 /nfs/dbraw/zinc/60/98/46/552609846.db2.gz RLEHROBLVNURCD-AAEUAGOBSA-N 1 2 353.375 1.278 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1COCCO1 ZINC000595743843 552609847 /nfs/dbraw/zinc/60/98/47/552609847.db2.gz RLEHROBLVNURCD-AAEUAGOBSA-N 1 2 353.375 1.278 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595745464 552610152 /nfs/dbraw/zinc/61/01/52/552610152.db2.gz UGKWDGKHJPVGKF-PBKGOJFUSA-N 1 2 351.403 1.881 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595745464 552610153 /nfs/dbraw/zinc/61/01/53/552610153.db2.gz UGKWDGKHJPVGKF-PBKGOJFUSA-N 1 2 351.403 1.881 20 5 FDBDLO CCOc1cc(C[N@@H+]2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595785430 552614956 /nfs/dbraw/zinc/61/49/56/552614956.db2.gz MGZZQGDOPLVICK-UHOFOFEASA-N 1 2 370.427 1.237 20 5 FDBDLO CCOc1cc(C[N@H+]2C[C@@H]3[C@@H](OC)CS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595785430 552614957 /nfs/dbraw/zinc/61/49/57/552614957.db2.gz MGZZQGDOPLVICK-UHOFOFEASA-N 1 2 370.427 1.237 20 5 FDBDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595823738 552619729 /nfs/dbraw/zinc/61/97/29/552619729.db2.gz QEXHVPBHQNIBOG-HNNXBMFYSA-N 1 2 363.418 1.245 20 5 FDBDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595823738 552619730 /nfs/dbraw/zinc/61/97/30/552619730.db2.gz QEXHVPBHQNIBOG-HNNXBMFYSA-N 1 2 363.418 1.245 20 5 FDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595830237 552621492 /nfs/dbraw/zinc/62/14/92/552621492.db2.gz ZLZDCALQIWPAJT-SWLSCSKDSA-N 1 2 363.418 1.610 20 5 FDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595830237 552621493 /nfs/dbraw/zinc/62/14/93/552621493.db2.gz ZLZDCALQIWPAJT-SWLSCSKDSA-N 1 2 363.418 1.610 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596625952 552694774 /nfs/dbraw/zinc/69/47/74/552694774.db2.gz HJWNUHOUYLWHEF-VXGBXAGGSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596625952 552694775 /nfs/dbraw/zinc/69/47/75/552694775.db2.gz HJWNUHOUYLWHEF-VXGBXAGGSA-N 1 2 352.391 1.834 20 5 FDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597224842 552762555 /nfs/dbraw/zinc/76/25/55/552762555.db2.gz QSUCUUKCWCQZSD-CYBMUJFWSA-N 1 2 364.402 1.554 20 5 FDBDLO 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COC(=O)[C@@](C)(CCF)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598275524 552882133 /nfs/dbraw/zinc/88/21/33/552882133.db2.gz MNZDGQYONOVYLH-MRXNPFEDSA-N 1 2 364.333 1.802 20 5 FDBDLO CNc1c(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cccc1[N+](=O)[O-] ZINC000598343060 552887633 /nfs/dbraw/zinc/88/76/33/552887633.db2.gz QCLUHYGYYFEUIY-UHFFFAOYSA-N 1 2 362.430 1.821 20 5 FDBDLO COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000598430860 552894466 /nfs/dbraw/zinc/89/44/66/552894466.db2.gz GNQULLJSWRDAND-BETUJISGSA-N 1 2 358.354 1.804 20 5 FDBDLO Cc1ccc2[nH+]c(CNc3ncnc(N4CCOCC4)c3[N+](=O)[O-])cn2c1 ZINC000598590302 552912105 /nfs/dbraw/zinc/91/21/05/552912105.db2.gz OWTXBTWHZISHMF-UHFFFAOYSA-N 1 2 369.385 1.790 20 5 FDBDLO COC(=O)c1ccnc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000598624381 552917263 /nfs/dbraw/zinc/91/72/63/552917263.db2.gz CAZFRWZYFYZIAX-NEPJUHHUSA-N 1 2 350.375 1.076 20 5 FDBDLO O=C(NCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000598900585 552941637 /nfs/dbraw/zinc/94/16/37/552941637.db2.gz KQNOYHXBWPYPRQ-UHFFFAOYSA-N 1 2 372.385 1.846 20 5 FDBDLO O=C(NCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000598900585 552941638 /nfs/dbraw/zinc/94/16/38/552941638.db2.gz KQNOYHXBWPYPRQ-UHFFFAOYSA-N 1 2 372.385 1.846 20 5 FDBDLO CN1c2ccccc2C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000598938419 552948608 /nfs/dbraw/zinc/94/86/08/552948608.db2.gz DWXFZOPPDCDESG-MRXNPFEDSA-N 1 2 371.393 1.813 20 5 FDBDLO CN1c2ccccc2C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000598938419 552948611 /nfs/dbraw/zinc/94/86/11/552948611.db2.gz DWXFZOPPDCDESG-MRXNPFEDSA-N 1 2 371.393 1.813 20 5 FDBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944736 552949722 /nfs/dbraw/zinc/94/97/22/552949722.db2.gz ULNMALHSJSAQEK-NSHDSACASA-N 1 2 350.762 1.955 20 5 FDBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598943087 552949727 /nfs/dbraw/zinc/94/97/27/552949727.db2.gz PUQPYMRFOTUBNE-NSHDSACASA-N 1 2 371.353 1.221 20 5 FDBDLO NS(=O)(=O)NC[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039443 552961518 /nfs/dbraw/zinc/96/15/18/552961518.db2.gz ZCVWWRXPGNCXSS-LLVKDONJSA-N 1 2 365.415 1.153 20 5 FDBDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC000599226365 552993589 /nfs/dbraw/zinc/99/35/89/552993589.db2.gz VXUSCYGLGYKXEA-LLVKDONJSA-N 1 2 371.419 1.283 20 5 FDBDLO CN(C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccc([N+](=O)[O-])cc1 ZINC000599631821 553108053 /nfs/dbraw/zinc/10/80/53/553108053.db2.gz GRALPZCHHNVJGD-JPMUSVJPSA-N 1 2 351.428 1.543 20 5 FDBDLO CN(C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)c1ccc([N+](=O)[O-])cc1 ZINC000599631821 553108057 /nfs/dbraw/zinc/10/80/57/553108057.db2.gz GRALPZCHHNVJGD-JPMUSVJPSA-N 1 2 351.428 1.543 20 5 FDBDLO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000599642431 553111079 /nfs/dbraw/zinc/11/10/79/553111079.db2.gz TWSILNOZZJENIH-HNNXBMFYSA-N 1 2 357.370 1.890 20 5 FDBDLO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000599642431 553111081 /nfs/dbraw/zinc/11/10/81/553111081.db2.gz TWSILNOZZJENIH-HNNXBMFYSA-N 1 2 357.370 1.890 20 5 FDBDLO COC(=O)[C@](C)(NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599652372 553113193 /nfs/dbraw/zinc/11/31/93/553113193.db2.gz MEBQTAKRAJAZNW-QWQRMKEZSA-N 1 2 365.430 1.682 20 5 FDBDLO COC(=O)[C@](C)(NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599652372 553113194 /nfs/dbraw/zinc/11/31/94/553113194.db2.gz MEBQTAKRAJAZNW-QWQRMKEZSA-N 1 2 365.430 1.682 20 5 FDBDLO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000599699094 553124850 /nfs/dbraw/zinc/12/48/50/553124850.db2.gz GINWWIJEDXPXQU-JOYOIKCWSA-N 1 2 372.219 1.806 20 5 FDBDLO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000599699094 553124852 /nfs/dbraw/zinc/12/48/52/553124852.db2.gz GINWWIJEDXPXQU-JOYOIKCWSA-N 1 2 372.219 1.806 20 5 FDBDLO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000599699091 553124879 /nfs/dbraw/zinc/12/48/79/553124879.db2.gz GINWWIJEDXPXQU-BXKDBHETSA-N 1 2 372.219 1.806 20 5 FDBDLO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000599699091 553124880 /nfs/dbraw/zinc/12/48/80/553124880.db2.gz GINWWIJEDXPXQU-BXKDBHETSA-N 1 2 372.219 1.806 20 5 FDBDLO Cn1ncnc1CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600057779 553209726 /nfs/dbraw/zinc/20/97/26/553209726.db2.gz LXPUYRNBUVPUAD-UHFFFAOYSA-N 1 2 355.358 1.272 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000600679756 553298600 /nfs/dbraw/zinc/29/86/00/553298600.db2.gz AITGDUXSYPPUNY-ZDUSSCGKSA-N 1 2 362.411 1.682 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])s1 ZINC000600679756 553298601 /nfs/dbraw/zinc/29/86/01/553298601.db2.gz AITGDUXSYPPUNY-ZDUSSCGKSA-N 1 2 362.411 1.682 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600681456 553299092 /nfs/dbraw/zinc/29/90/92/553299092.db2.gz IYDVJROHWRIJJG-OAHLLOKOSA-N 1 2 374.372 1.760 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc(F)cc1[N+](=O)[O-] ZINC000600681456 553299095 /nfs/dbraw/zinc/29/90/95/553299095.db2.gz IYDVJROHWRIJJG-OAHLLOKOSA-N 1 2 374.372 1.760 20 5 FDBDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000600981185 553334549 /nfs/dbraw/zinc/33/45/49/553334549.db2.gz ASEUELVWMLGEHC-UHFFFAOYSA-N 1 2 360.345 1.896 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000601417963 553400076 /nfs/dbraw/zinc/40/00/76/553400076.db2.gz HFKHCJVZGOBJMV-UHFFFAOYSA-N 1 2 369.443 1.164 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000601418488 553400336 /nfs/dbraw/zinc/40/03/36/553400336.db2.gz UEAYSNPUHNKWCR-UHFFFAOYSA-N 1 2 369.443 1.164 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000602817990 553644208 /nfs/dbraw/zinc/64/42/08/553644208.db2.gz MQGKVDFOGOVLCA-AWEZNQCLSA-N 1 2 350.423 1.178 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000602817990 553644209 /nfs/dbraw/zinc/64/42/09/553644209.db2.gz MQGKVDFOGOVLCA-AWEZNQCLSA-N 1 2 350.423 1.178 20 5 FDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602891462 553662287 /nfs/dbraw/zinc/66/22/87/553662287.db2.gz NKQQPJGWRCIROM-HNNXBMFYSA-N 1 2 367.471 1.940 20 5 FDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602891462 553662288 /nfs/dbraw/zinc/66/22/88/553662288.db2.gz NKQQPJGWRCIROM-HNNXBMFYSA-N 1 2 367.471 1.940 20 5 FDBDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000602943789 553676072 /nfs/dbraw/zinc/67/60/72/553676072.db2.gz QLYLCXQNAXNWLU-HNNXBMFYSA-N 1 2 361.377 1.862 20 5 FDBDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000602943789 553676075 /nfs/dbraw/zinc/67/60/75/553676075.db2.gz QLYLCXQNAXNWLU-HNNXBMFYSA-N 1 2 361.377 1.862 20 5 FDBDLO C[C@@H]1CCN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000604403214 553874495 /nfs/dbraw/zinc/87/44/95/553874495.db2.gz WABXIRYPYFOGAS-GFCCVEGCSA-N 1 2 354.432 1.130 20 5 FDBDLO CCOc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000609191040 554347798 /nfs/dbraw/zinc/34/77/98/554347798.db2.gz VDPGYIUFWQGFDP-OLZOCXBDSA-N 1 2 351.403 1.833 20 5 FDBDLO O=C1[C@@H]([NH+]2CCN(c3cccnc3[N+](=O)[O-])CC2)CCN1c1ccccc1 ZINC000609578019 554396427 /nfs/dbraw/zinc/39/64/27/554396427.db2.gz LQSFWBBVYJCNCA-KRWDZBQOSA-N 1 2 367.409 1.917 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609619361 554403486 /nfs/dbraw/zinc/40/34/86/554403486.db2.gz BNALXHFVGUKSOW-NSHDSACASA-N 1 2 353.338 2.000 20 5 FDBDLO NS(=O)(=O)c1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)c([N+](=O)[O-])c1 ZINC000610129026 554465328 /nfs/dbraw/zinc/46/53/28/554465328.db2.gz OCNSYOBLRABNJF-UHFFFAOYSA-N 1 2 362.327 1.010 20 5 FDBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000610260536 554483390 /nfs/dbraw/zinc/48/33/90/554483390.db2.gz WAJCDAKWYUHHPL-LLVKDONJSA-N 1 2 356.429 1.633 20 5 FDBDLO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276439 554486337 /nfs/dbraw/zinc/48/63/37/554486337.db2.gz WKLOCNJBAWLHCL-NSHDSACASA-N 1 2 351.388 1.280 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000610395121 554499584 /nfs/dbraw/zinc/49/95/84/554499584.db2.gz AYYTXUQQNZFQQQ-QKCSRTOESA-N 1 2 364.320 1.986 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000610395121 554499586 /nfs/dbraw/zinc/49/95/86/554499586.db2.gz AYYTXUQQNZFQQQ-QKCSRTOESA-N 1 2 364.320 1.986 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000610560083 554528189 /nfs/dbraw/zinc/52/81/89/554528189.db2.gz ZEZARVVBTMADQD-OAHLLOKOSA-N 1 2 369.443 1.389 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000610662371 554545790 /nfs/dbraw/zinc/54/57/90/554545790.db2.gz OUHFLGJPRMABCM-UHFFFAOYSA-N 1 2 374.401 1.602 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000610662371 554545793 /nfs/dbraw/zinc/54/57/93/554545793.db2.gz OUHFLGJPRMABCM-UHFFFAOYSA-N 1 2 374.401 1.602 20 5 FDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000610720622 554554244 /nfs/dbraw/zinc/55/42/44/554554244.db2.gz PSYNLRRDKBZPSI-ZIAGYGMSSA-N 1 2 374.397 1.636 20 5 FDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000610720622 554554245 /nfs/dbraw/zinc/55/42/45/554554245.db2.gz PSYNLRRDKBZPSI-ZIAGYGMSSA-N 1 2 374.397 1.636 20 5 FDBDLO Cc1[nH]nc(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000611176949 554612898 /nfs/dbraw/zinc/61/28/98/554612898.db2.gz LOACZNWRKCHFQR-UHFFFAOYSA-N 1 2 364.450 1.257 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000612031044 554722546 /nfs/dbraw/zinc/72/25/46/554722546.db2.gz NZSYJPITFDUWSP-JTNHKYCSSA-N 1 2 364.320 1.986 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000612031044 554722548 /nfs/dbraw/zinc/72/25/48/554722548.db2.gz NZSYJPITFDUWSP-JTNHKYCSSA-N 1 2 364.320 1.986 20 5 FDBDLO CCCCNC(=O)C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612437893 554778107 /nfs/dbraw/zinc/77/81/07/554778107.db2.gz QLOAFLKNZIHCLY-UHFFFAOYSA-N 1 2 372.429 1.576 20 5 FDBDLO CCOc1cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000617196077 555401138 /nfs/dbraw/zinc/40/11/38/555401138.db2.gz OKKZKFLNPLOPDE-ZDUSSCGKSA-N 1 2 357.432 1.507 20 5 FDBDLO CCOc1cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000617196077 555401140 /nfs/dbraw/zinc/40/11/40/555401140.db2.gz OKKZKFLNPLOPDE-ZDUSSCGKSA-N 1 2 357.432 1.507 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000619483866 555785269 /nfs/dbraw/zinc/78/52/69/555785269.db2.gz WINIAOFOVSDHTD-UHFFFAOYSA-N 1 2 355.416 1.462 20 5 FDBDLO CC(C)(C)OC(=O)C1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000453037272 568260577 /nfs/dbraw/zinc/26/05/77/568260577.db2.gz MLLJQKNRISIGDP-CYBMUJFWSA-N 1 2 352.387 1.608 20 5 FDBDLO CC(C)(C)OC(=O)C1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000453037273 568263888 /nfs/dbraw/zinc/26/38/88/568263888.db2.gz MLLJQKNRISIGDP-ZDUSSCGKSA-N 1 2 352.387 1.608 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272208063 674421574 /nfs/dbraw/zinc/42/15/74/674421574.db2.gz DZAHCSRGOBUWJN-UHFFFAOYSA-N 1 2 351.359 1.164 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272208063 674421576 /nfs/dbraw/zinc/42/15/76/674421576.db2.gz DZAHCSRGOBUWJN-UHFFFAOYSA-N 1 2 351.359 1.164 20 5 FDBDLO C[N@H+]1Cc2ccccc2[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000826053773 607935623 /nfs/dbraw/zinc/93/56/23/607935623.db2.gz YYJZIGGEOWVRTB-CYBMUJFWSA-N 1 2 352.358 1.769 20 5 FDBDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000826053773 607935624 /nfs/dbraw/zinc/93/56/24/607935624.db2.gz YYJZIGGEOWVRTB-CYBMUJFWSA-N 1 2 352.358 1.769 20 5 FDBDLO O=C(NCCc1cccs1)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000063281228 671308083 /nfs/dbraw/zinc/30/80/83/671308083.db2.gz HBEPNCGNCSZDRY-UHFFFAOYSA-N 1 2 363.443 1.881 20 5 FDBDLO CC(C)OCCCNC(=O)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000151830984 671874276 /nfs/dbraw/zinc/87/42/76/671874276.db2.gz HFMNKDZTLPMPGG-UHFFFAOYSA-N 1 2 353.423 1.392 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246093101 672487778 /nfs/dbraw/zinc/48/77/78/672487778.db2.gz KLJOQEKTDNSBJI-KBPBESRZSA-N 1 2 371.459 1.369 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246093101 672487781 /nfs/dbraw/zinc/48/77/81/672487781.db2.gz KLJOQEKTDNSBJI-KBPBESRZSA-N 1 2 371.459 1.369 20 5 FDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261751212 672664955 /nfs/dbraw/zinc/66/49/55/672664955.db2.gz QEBQLFYEPQRNSZ-INIZCTEOSA-N 1 2 362.411 1.466 20 5 FDBDLO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000279805544 675349640 /nfs/dbraw/zinc/34/96/40/675349640.db2.gz XBVSGYGFSDBCQV-GFCCVEGCSA-N 1 2 370.837 1.839 20 5 FDBDLO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000279805544 675349641 /nfs/dbraw/zinc/34/96/41/675349641.db2.gz XBVSGYGFSDBCQV-GFCCVEGCSA-N 1 2 370.837 1.839 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000280060482 675379256 /nfs/dbraw/zinc/37/92/56/675379256.db2.gz PPPWQWXJZOTRNU-CQSZACIVSA-N 1 2 350.419 1.499 20 5 FDBDLO CNC(=O)C1C[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000284976440 675775101 /nfs/dbraw/zinc/77/51/01/675775101.db2.gz KJBXBLPREOAHDL-UHFFFAOYSA-N 1 2 359.329 1.425 20 5 FDBDLO C[C@H]1C[N@H+](CCSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)CCO1 ZINC000298266366 676446439 /nfs/dbraw/zinc/44/64/39/676446439.db2.gz OXJZEBCTQPCLRE-NSHDSACASA-N 1 2 364.427 1.655 20 5 FDBDLO C[C@H]1C[N@@H+](CCSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)CCO1 ZINC000298266366 676446442 /nfs/dbraw/zinc/44/64/42/676446442.db2.gz OXJZEBCTQPCLRE-NSHDSACASA-N 1 2 364.427 1.655 20 5 FDBDLO Cc1c(Br)c(NCC[NH+]2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000321782514 676563156 /nfs/dbraw/zinc/56/31/56/676563156.db2.gz RUWBZORQYIHGPW-UHFFFAOYSA-N 1 2 359.224 1.929 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362062371 676907214 /nfs/dbraw/zinc/90/72/14/676907214.db2.gz KXDRBXWGQCAXJQ-GJZGRUSLSA-N 1 2 369.443 1.435 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362062371 676907215 /nfs/dbraw/zinc/90/72/15/676907215.db2.gz KXDRBXWGQCAXJQ-GJZGRUSLSA-N 1 2 369.443 1.435 20 5 FDBDLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364326800 677008222 /nfs/dbraw/zinc/00/82/22/677008222.db2.gz HYBYYSZPKKFGAI-NSHDSACASA-N 1 2 352.395 1.053 20 5 FDBDLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364326800 677008224 /nfs/dbraw/zinc/00/82/24/677008224.db2.gz HYBYYSZPKKFGAI-NSHDSACASA-N 1 2 352.395 1.053 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000371056464 677642793 /nfs/dbraw/zinc/64/27/93/677642793.db2.gz WAZJWKPSMPCXNW-NSHDSACASA-N 1 2 366.399 1.515 20 5 FDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000371284471 677657820 /nfs/dbraw/zinc/65/78/20/677657820.db2.gz RDLLQOCHDNMXDC-JKSUJKDBSA-N 1 2 369.443 1.268 20 5 FDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000371284471 677657821 /nfs/dbraw/zinc/65/78/21/677657821.db2.gz RDLLQOCHDNMXDC-JKSUJKDBSA-N 1 2 369.443 1.268 20 5 FDBDLO CC(C)c1ccc(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000378345727 678741978 /nfs/dbraw/zinc/74/19/78/678741978.db2.gz MPGGZWRGHUNZOC-UHFFFAOYSA-N 1 2 356.448 1.429 20 5 FDBDLO CC(C)c1ccc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000378345727 678741980 /nfs/dbraw/zinc/74/19/80/678741980.db2.gz MPGGZWRGHUNZOC-UHFFFAOYSA-N 1 2 356.448 1.429 20 5 FDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000413963980 679320167 /nfs/dbraw/zinc/32/01/67/679320167.db2.gz DOJZJPJHMPKCPV-UHFFFAOYSA-N 1 2 353.444 1.914 20 5 FDBDLO CN1CC[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000414154255 679332189 /nfs/dbraw/zinc/33/21/89/679332189.db2.gz SVPTWXMFCARIAT-GFCCVEGCSA-N 1 2 374.235 1.344 20 5 FDBDLO COc1cc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000414468967 679353997 /nfs/dbraw/zinc/35/39/97/679353997.db2.gz LDPWNKJJDVLWDR-NSHDSACASA-N 1 2 354.388 1.415 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000420442027 680453110 /nfs/dbraw/zinc/45/31/10/680453110.db2.gz JHQHLPQKQGTISK-LLVKDONJSA-N 1 2 363.386 1.735 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000439881239 681951542 /nfs/dbraw/zinc/95/15/42/681951542.db2.gz MCGRIXJRAREKLS-LBPRGKRZSA-N 1 2 352.391 1.836 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000439881239 681951545 /nfs/dbraw/zinc/95/15/45/681951545.db2.gz MCGRIXJRAREKLS-LBPRGKRZSA-N 1 2 352.391 1.836 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000455174170 683406576 /nfs/dbraw/zinc/40/65/76/683406576.db2.gz VBLTWMSLNSXLBU-CYBMUJFWSA-N 1 2 350.375 1.588 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000455174170 683406581 /nfs/dbraw/zinc/40/65/81/683406581.db2.gz VBLTWMSLNSXLBU-CYBMUJFWSA-N 1 2 350.375 1.588 20 5 FDBDLO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000456054248 683561719 /nfs/dbraw/zinc/56/17/19/683561719.db2.gz FZPLPWIZPMDKCG-LBPRGKRZSA-N 1 2 369.443 1.601 20 5 FDBDLO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000456054248 683561724 /nfs/dbraw/zinc/56/17/24/683561724.db2.gz FZPLPWIZPMDKCG-LBPRGKRZSA-N 1 2 369.443 1.601 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000471757297 685158029 /nfs/dbraw/zinc/15/80/29/685158029.db2.gz IKIJYXJPRBSMMD-LLVKDONJSA-N 1 2 369.805 1.958 20 5 FDBDLO COc1c(C(=O)N2CC[NH+](CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000476211258 685691100 /nfs/dbraw/zinc/69/11/00/685691100.db2.gz UFJJZRDGNADOSA-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO Cc1sc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000478864952 685926852 /nfs/dbraw/zinc/92/68/52/685926852.db2.gz AXWIIPPUAKACIN-ZDUSSCGKSA-N 1 2 369.443 1.528 20 5 FDBDLO CSc1cccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000485497030 686731117 /nfs/dbraw/zinc/73/11/17/686731117.db2.gz YENZNMGSGSGGPT-LBPRGKRZSA-N 1 2 369.443 1.082 20 5 FDBDLO COC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000489029595 687072621 /nfs/dbraw/zinc/07/26/21/687072621.db2.gz BDYPROPYYVYMRQ-CQSZACIVSA-N 1 2 351.359 1.106 20 5 FDBDLO COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000489029595 687072623 /nfs/dbraw/zinc/07/26/23/687072623.db2.gz BDYPROPYYVYMRQ-CQSZACIVSA-N 1 2 351.359 1.106 20 5 FDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000490244479 687138038 /nfs/dbraw/zinc/13/80/38/687138038.db2.gz LEMINVCWDIBQOJ-CQSZACIVSA-N 1 2 368.821 1.911 20 5 FDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000490244479 687138040 /nfs/dbraw/zinc/13/80/40/687138040.db2.gz LEMINVCWDIBQOJ-CQSZACIVSA-N 1 2 368.821 1.911 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000493768189 687452115 /nfs/dbraw/zinc/45/21/15/687452115.db2.gz OLBFJKDFCJNIID-VHSXEESVSA-N 1 2 361.395 1.456 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000493768189 687452118 /nfs/dbraw/zinc/45/21/18/687452118.db2.gz OLBFJKDFCJNIID-VHSXEESVSA-N 1 2 361.395 1.456 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000512815845 689642404 /nfs/dbraw/zinc/64/24/04/689642404.db2.gz FCMZYAKAZQCJLP-NSHDSACASA-N 1 2 364.370 1.930 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000512815845 689642407 /nfs/dbraw/zinc/64/24/07/689642407.db2.gz FCMZYAKAZQCJLP-NSHDSACASA-N 1 2 364.370 1.930 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCN1CCCC1=O ZINC000532975195 694898473 /nfs/dbraw/zinc/89/84/73/694898473.db2.gz JIGTYDXTFAGQFW-UHFFFAOYSA-N 1 2 350.375 1.096 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCN1CCCC1=O ZINC000532975195 694898474 /nfs/dbraw/zinc/89/84/74/694898474.db2.gz JIGTYDXTFAGQFW-UHFFFAOYSA-N 1 2 350.375 1.096 20 5 FDBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc([N+](=O)[O-])n1 ZINC001164704648 719845347 /nfs/dbraw/zinc/84/53/47/719845347.db2.gz SESWFAHXJWPQIT-CXAGYDPISA-N 1 2 364.402 1.223 20 5 FDBDLO COc1ncnc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001165044715 721956370 /nfs/dbraw/zinc/95/63/70/721956370.db2.gz OYHKLYXHTLRUQN-UHFFFAOYSA-N 1 2 359.386 1.594 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728282497 773642402 /nfs/dbraw/zinc/64/24/02/773642402.db2.gz FHSAEUFBYMDYSW-UHFFFAOYSA-N 1 2 361.402 1.172 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728282497 773642406 /nfs/dbraw/zinc/64/24/06/773642406.db2.gz FHSAEUFBYMDYSW-UHFFFAOYSA-N 1 2 361.402 1.172 20 5 FDBDLO Cc1cc(C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc([N+](=O)[O-])c1 ZINC000261792829 774446431 /nfs/dbraw/zinc/44/64/31/774446431.db2.gz RABFFGSLIHBQDB-UHFFFAOYSA-N 1 2 370.413 1.618 20 5 FDBDLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000364951838 785246404 /nfs/dbraw/zinc/24/64/04/785246404.db2.gz RZPPILQBIHFJFN-QWHCGFSZSA-N 1 2 356.386 1.462 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000376195546 786723537 /nfs/dbraw/zinc/72/35/37/786723537.db2.gz KEKJLNINWUWAJZ-KBPBESRZSA-N 1 2 363.414 1.929 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000376220492 786843169 /nfs/dbraw/zinc/84/31/69/786843169.db2.gz JMPHIVFODIPDGO-IRXDYDNUSA-N 1 2 372.381 1.801 20 5 FDBDLO O=C(NCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000072509199 788476730 /nfs/dbraw/zinc/47/67/30/788476730.db2.gz YLTMNVHNLKQWJI-UHFFFAOYSA-N 1 2 359.386 1.448 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472719184 791484288 /nfs/dbraw/zinc/48/42/88/791484288.db2.gz BKRXEWCRRIFXCD-SNVBAGLBSA-N 1 2 361.333 1.422 20 5 FDBDLO CCCCc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001025775308 792009133 /nfs/dbraw/zinc/00/91/33/792009133.db2.gz OEEOZRSNWUWOAQ-SSZWKKLZSA-N 1 2 364.471 1.697 20 5 FDBDLO CCCCc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001025775308 792009137 /nfs/dbraw/zinc/00/91/37/792009137.db2.gz OEEOZRSNWUWOAQ-SSZWKKLZSA-N 1 2 364.471 1.697 20 5 FDBDLO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000377585202 792273810 /nfs/dbraw/zinc/27/38/10/792273810.db2.gz QAIMEGCUZQLPCR-GFCCVEGCSA-N 1 2 374.401 1.935 20 5 FDBDLO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000377585202 792273811 /nfs/dbraw/zinc/27/38/11/792273811.db2.gz QAIMEGCUZQLPCR-GFCCVEGCSA-N 1 2 374.401 1.935 20 5 FDBDLO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000365646480 792472883 /nfs/dbraw/zinc/47/28/83/792472883.db2.gz QXPKNHBRKPPHSH-UKRRQHHQSA-N 1 2 363.414 1.929 20 5 FDBDLO Cc1ccc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1[N+](=O)[O-] ZINC000378566515 794332140 /nfs/dbraw/zinc/33/21/40/794332140.db2.gz AFTZMDUSEXKNDA-UHFFFAOYSA-N 1 2 360.414 1.282 20 5 FDBDLO Cc1ccc(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1[N+](=O)[O-] ZINC000378566515 794332145 /nfs/dbraw/zinc/33/21/45/794332145.db2.gz AFTZMDUSEXKNDA-UHFFFAOYSA-N 1 2 360.414 1.282 20 5 FDBDLO CC(C)n1ccc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000981764119 808449477 /nfs/dbraw/zinc/44/94/77/808449477.db2.gz NGYQUEUZQRAUGX-HZPDHXFCSA-N 1 2 361.446 1.554 20 5 FDBDLO CC(C)n1ccc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000981764119 808449482 /nfs/dbraw/zinc/44/94/82/808449482.db2.gz NGYQUEUZQRAUGX-HZPDHXFCSA-N 1 2 361.446 1.554 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000279313608 808901050 /nfs/dbraw/zinc/90/10/50/808901050.db2.gz NRANCNPYBYLHFU-CQSZACIVSA-N 1 2 373.413 1.573 20 5 FDBDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)ccc1[N+](=O)[O-] ZINC000419360956 810688925 /nfs/dbraw/zinc/68/89/25/810688925.db2.gz SGTNRCISQBCOEU-CQSZACIVSA-N 1 2 365.386 1.247 20 5 FDBDLO CCOc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCC(=O)OC)ccc1[N+](=O)[O-] ZINC000419360956 810688928 /nfs/dbraw/zinc/68/89/28/810688928.db2.gz SGTNRCISQBCOEU-CQSZACIVSA-N 1 2 365.386 1.247 20 5 FDBDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2C1 ZINC000433955833 811613836 /nfs/dbraw/zinc/61/38/36/811613836.db2.gz RCBKPPWLHBHEGR-UHFFFAOYSA-N 1 2 372.356 1.830 20 5 FDBDLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cc2C1 ZINC000433955833 811613842 /nfs/dbraw/zinc/61/38/42/811613842.db2.gz RCBKPPWLHBHEGR-UHFFFAOYSA-N 1 2 372.356 1.830 20 5 FDBDLO CCOc1cc(N2CCN(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000280330769 811782832 /nfs/dbraw/zinc/78/28/32/811782832.db2.gz ZRZLQEBZGBCEJQ-UHFFFAOYSA-N 1 2 364.446 1.448 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000501874929 813704033 /nfs/dbraw/zinc/70/40/33/813704033.db2.gz IYPZBZRXYNTGJO-UHFFFAOYSA-N 1 2 362.386 1.239 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000501874929 813704041 /nfs/dbraw/zinc/70/40/41/813704041.db2.gz IYPZBZRXYNTGJO-UHFFFAOYSA-N 1 2 362.386 1.239 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000502516860 814112931 /nfs/dbraw/zinc/11/29/31/814112931.db2.gz OVIZDDXRGFHRLF-LBPRGKRZSA-N 1 2 366.418 1.634 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000502516860 814112935 /nfs/dbraw/zinc/11/29/35/814112935.db2.gz OVIZDDXRGFHRLF-LBPRGKRZSA-N 1 2 366.418 1.634 20 5 FDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000413963340 814320190 /nfs/dbraw/zinc/32/01/90/814320190.db2.gz CLJABWFOLNJUOJ-UHFFFAOYSA-N 1 2 360.414 1.777 20 5 FDBDLO Cc1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000436038651 816307054 /nfs/dbraw/zinc/30/70/54/816307054.db2.gz CWNWAPAKSYXFQI-UHFFFAOYSA-N 1 2 354.322 1.626 20 5 FDBDLO CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)NCC[NH+](C)C ZINC000436898968 816787910 /nfs/dbraw/zinc/78/79/10/816787910.db2.gz INKPYMHRAXCZAU-AWEZNQCLSA-N 1 2 366.418 1.123 20 5 FDBDLO O=C(NC[C@H](CO)c1cccnc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000516506047 816862790 /nfs/dbraw/zinc/86/27/90/816862790.db2.gz UFPTXTKTKGYUEY-OAHLLOKOSA-N 1 2 367.365 1.681 20 5 FDBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCC[C@@H]3CO)[nH+]cn1)CCO2 ZINC000517037101 817180745 /nfs/dbraw/zinc/18/07/45/817180745.db2.gz IIXJFZORTITBKV-OAHLLOKOSA-N 1 2 371.397 1.745 20 5 FDBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCC[C@@H]3CO)nc[nH+]1)CCO2 ZINC000517037101 817180751 /nfs/dbraw/zinc/18/07/51/817180751.db2.gz IIXJFZORTITBKV-OAHLLOKOSA-N 1 2 371.397 1.745 20 5 FDBDLO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507090553 818602090 /nfs/dbraw/zinc/60/20/90/818602090.db2.gz UZWIQRRXLYTVLS-FUHWJXTLSA-N 1 2 371.393 1.666 20 5 FDBDLO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507090553 818602096 /nfs/dbraw/zinc/60/20/96/818602096.db2.gz UZWIQRRXLYTVLS-FUHWJXTLSA-N 1 2 371.393 1.666 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427044887 818670141 /nfs/dbraw/zinc/67/01/41/818670141.db2.gz OPAMOZGPARSQOL-GFCCVEGCSA-N 1 2 357.370 1.478 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000444336835 827148418 /nfs/dbraw/zinc/14/84/18/827148418.db2.gz BKFDBHXVVWUBJP-LBPRGKRZSA-N 1 2 365.386 1.313 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000444336835 827148425 /nfs/dbraw/zinc/14/84/25/827148425.db2.gz BKFDBHXVVWUBJP-LBPRGKRZSA-N 1 2 365.386 1.313 20 5 FDBDLO CC(C)c1nsc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985430797 827809889 /nfs/dbraw/zinc/80/98/89/827809889.db2.gz CTZPUYQXVWKVFH-CHWSQXEVSA-N 1 2 367.475 1.750 20 5 FDBDLO CC(C)c1nsc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985430797 827809901 /nfs/dbraw/zinc/80/99/01/827809901.db2.gz CTZPUYQXVWKVFH-CHWSQXEVSA-N 1 2 367.475 1.750 20 5 FDBDLO NC(=O)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000440664975 828256243 /nfs/dbraw/zinc/25/62/43/828256243.db2.gz AFNDKKPMHLALDI-UHFFFAOYSA-N 1 2 366.337 1.204 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000447815508 828899321 /nfs/dbraw/zinc/89/93/21/828899321.db2.gz DYLUAOCJIYXXGU-LLVKDONJSA-N 1 2 354.794 1.447 20 5 FDBDLO CNC(=O)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448685103 829216258 /nfs/dbraw/zinc/21/62/58/829216258.db2.gz SWLOICPSIVWSSG-CQSZACIVSA-N 1 2 357.370 1.521 20 5 FDBDLO COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448968407 829315356 /nfs/dbraw/zinc/31/53/56/829315356.db2.gz GEYGKCBLLHUHKT-UHFFFAOYSA-N 1 2 359.386 1.185 20 5 FDBDLO COC(=O)C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000450920428 830195453 /nfs/dbraw/zinc/19/54/53/830195453.db2.gz XDMPLHHRLLXPOE-KRWDZBQOSA-N 1 2 374.353 1.233 20 5 FDBDLO O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451501575 830382829 /nfs/dbraw/zinc/38/28/29/830382829.db2.gz AWPWKOLGRQYRTK-KGLIPLIRSA-N 1 2 369.381 1.664 20 5 FDBDLO Cn1ccnc1[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000453357521 830919696 /nfs/dbraw/zinc/91/96/96/830919696.db2.gz TVNPDCWOAUHETI-FGTMMUONSA-N 1 2 371.441 1.871 20 5 FDBDLO CCc1cnc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001029964487 831933193 /nfs/dbraw/zinc/93/31/93/831933193.db2.gz LKNJERCCFIVPNM-HUUCEWRRSA-N 1 2 350.419 1.573 20 5 FDBDLO CCc1cnc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001029964487 831933195 /nfs/dbraw/zinc/93/31/95/831933195.db2.gz LKNJERCCFIVPNM-HUUCEWRRSA-N 1 2 350.419 1.573 20 5 FDBDLO C[N@@H+](Cc1coc(C2CC2)n1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964786 831938428 /nfs/dbraw/zinc/93/84/28/831938428.db2.gz ZNCZBBAKIBAFPM-HZPDHXFCSA-N 1 2 362.430 1.888 20 5 FDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899053309 845675764 /nfs/dbraw/zinc/67/57/64/845675764.db2.gz KFFASPNJSNYCRT-UHFFFAOYSA-N 1 2 367.427 1.495 20 5 FDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899053309 845675770 /nfs/dbraw/zinc/67/57/70/845675770.db2.gz KFFASPNJSNYCRT-UHFFFAOYSA-N 1 2 367.427 1.495 20 5 FDBDLO C[N@@H+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H]1CO ZINC000913543158 862345086 /nfs/dbraw/zinc/34/50/86/862345086.db2.gz AXCPZCFEAIFQCZ-AWEZNQCLSA-N 1 2 356.382 1.405 20 5 FDBDLO C[N@H+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C[C@H]1CO ZINC000913543158 862345102 /nfs/dbraw/zinc/34/51/02/862345102.db2.gz AXCPZCFEAIFQCZ-AWEZNQCLSA-N 1 2 356.382 1.405 20 5 FDBDLO COCC[NH+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000906671995 853138927 /nfs/dbraw/zinc/13/89/27/853138927.db2.gz VTSOHWWRJAKDQH-UHFFFAOYSA-N 1 2 365.386 1.160 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000907788756 854657534 /nfs/dbraw/zinc/65/75/34/854657534.db2.gz JQWFFUDBVXDYLG-UHFFFAOYSA-N 1 2 370.475 1.080 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000907788756 854657540 /nfs/dbraw/zinc/65/75/40/854657540.db2.gz JQWFFUDBVXDYLG-UHFFFAOYSA-N 1 2 370.475 1.080 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000907791000 854662348 /nfs/dbraw/zinc/66/23/48/854662348.db2.gz TYNITSOLKJRBKM-UHFFFAOYSA-N 1 2 370.475 1.080 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000907791000 854662349 /nfs/dbraw/zinc/66/23/49/854662349.db2.gz TYNITSOLKJRBKM-UHFFFAOYSA-N 1 2 370.475 1.080 20 5 FDBDLO COc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000489228692 859452742 /nfs/dbraw/zinc/45/27/42/859452742.db2.gz WEZIAMIZIZRWKY-MRXNPFEDSA-N 1 2 363.414 1.817 20 5 FDBDLO COc1cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000489228692 859452752 /nfs/dbraw/zinc/45/27/52/859452752.db2.gz WEZIAMIZIZRWKY-MRXNPFEDSA-N 1 2 363.414 1.817 20 5 FDBDLO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000462277005 867904218 /nfs/dbraw/zinc/90/42/18/867904218.db2.gz ZNIUPNYFPBXETL-FZMZJTMJSA-N 1 2 361.354 1.112 20 5 FDBDLO COC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000462277005 867904222 /nfs/dbraw/zinc/90/42/22/867904222.db2.gz 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/nfs/dbraw/zinc/44/03/35/523440335.db2.gz HQCIVWJFPULZIO-ZDUSSCGKSA-N 1 2 364.402 1.390 20 5 FDBDLO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000067538441 523485085 /nfs/dbraw/zinc/48/50/85/523485085.db2.gz DJKBBUPOMBDGMP-UHFFFAOYSA-N 1 2 369.443 1.412 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000055217679 523770954 /nfs/dbraw/zinc/77/09/54/523770954.db2.gz OKENTXXISFLZNW-LBPRGKRZSA-N 1 2 357.363 1.908 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000055238158 523777392 /nfs/dbraw/zinc/77/73/92/523777392.db2.gz WTDXBUYCXNGTKJ-UHFFFAOYSA-N 1 2 357.407 1.983 20 5 FDBDLO Cc1c(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000068686973 523847325 /nfs/dbraw/zinc/84/73/25/523847325.db2.gz BQJQELBLAPNIBT-UHFFFAOYSA-N 1 2 368.393 1.974 20 5 FDBDLO Cc1cc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000172016930 524093206 /nfs/dbraw/zinc/09/32/06/524093206.db2.gz HAOIQSBOEJSJHA-UHFFFAOYSA-N 1 2 373.394 1.962 20 5 FDBDLO O=C(NCCCNc1cccc[nH+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000136164160 524186680 /nfs/dbraw/zinc/18/66/80/524186680.db2.gz ZDKMXAVBUKSELT-UHFFFAOYSA-N 1 2 367.369 1.803 20 5 FDBDLO NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000172427615 524221321 /nfs/dbraw/zinc/22/13/21/524221321.db2.gz ZEJBOFAHNJERKI-DGCLKSJQSA-N 1 2 357.370 1.554 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000172610952 524247222 /nfs/dbraw/zinc/24/72/22/524247222.db2.gz UHQTXSNRFVSAKA-NSHDSACASA-N 1 2 370.369 1.935 20 5 FDBDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607981 524459130 /nfs/dbraw/zinc/45/91/30/524459130.db2.gz YKMBYPLJQSBTDD-TZMCWYRMSA-N 1 2 360.414 1.065 20 5 FDBDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607981 524459135 /nfs/dbraw/zinc/45/91/35/524459135.db2.gz YKMBYPLJQSBTDD-TZMCWYRMSA-N 1 2 360.414 1.065 20 5 FDBDLO CCCCOCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122412113 524530460 /nfs/dbraw/zinc/53/04/60/524530460.db2.gz HUZSEAXDEKSMKI-UHFFFAOYSA-N 1 2 371.459 1.718 20 5 FDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174497126 524605634 /nfs/dbraw/zinc/60/56/34/524605634.db2.gz IFWXAPSZZRSVNK-HNNXBMFYSA-N 1 2 362.430 1.720 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000122746220 524608375 /nfs/dbraw/zinc/60/83/75/524608375.db2.gz PBGNZRYLYRDMIR-OCCSQVGLSA-N 1 2 371.459 1.369 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000122746220 524608378 /nfs/dbraw/zinc/60/83/78/524608378.db2.gz PBGNZRYLYRDMIR-OCCSQVGLSA-N 1 2 371.459 1.369 20 5 FDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000151775664 524678453 /nfs/dbraw/zinc/67/84/53/524678453.db2.gz YAWNZHDBDYZYBM-UHFFFAOYSA-N 1 2 364.431 1.380 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000174752492 524725313 /nfs/dbraw/zinc/72/53/13/524725313.db2.gz BCPMTZKERUSYAO-OAHLLOKOSA-N 1 2 371.397 1.590 20 5 FDBDLO Cc1sc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000124214120 524930659 /nfs/dbraw/zinc/93/06/59/524930659.db2.gz YKVJRSXCXCIVTB-SNVBAGLBSA-N 1 2 363.461 1.211 20 5 FDBDLO Cc1sc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000124214299 524931112 /nfs/dbraw/zinc/93/11/12/524931112.db2.gz YKVJRSXCXCIVTB-JTQLQIEISA-N 1 2 363.461 1.211 20 5 FDBDLO C[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[C@H](C)[NH+]1CCOCC1 ZINC000124540899 525013637 /nfs/dbraw/zinc/01/36/37/525013637.db2.gz ZXAWRIYQAOAGFR-KBPBESRZSA-N 1 2 362.430 1.772 20 5 FDBDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153220190 525148385 /nfs/dbraw/zinc/14/83/85/525148385.db2.gz JIQGGBFKXWNUTP-GFCCVEGCSA-N 1 2 360.414 1.078 20 5 FDBDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153220190 525148391 /nfs/dbraw/zinc/14/83/91/525148391.db2.gz JIQGGBFKXWNUTP-GFCCVEGCSA-N 1 2 360.414 1.078 20 5 FDBDLO Cc1cccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+]2CCOCC2)c1 ZINC000161968958 525194427 /nfs/dbraw/zinc/19/44/27/525194427.db2.gz NMGZWMOULQLKBC-OAHLLOKOSA-N 1 2 373.413 1.440 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)c[nH+]2)C[C@H](C)O1 ZINC000162139657 525220029 /nfs/dbraw/zinc/22/00/29/525220029.db2.gz OXZXYVGKIJTECH-RYUDHWBXSA-N 1 2 374.401 1.267 20 5 FDBDLO O=C(C[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000153526734 525237386 /nfs/dbraw/zinc/23/73/86/525237386.db2.gz AGXSQHGQLYVTIM-UHFFFAOYSA-N 1 2 353.810 1.388 20 5 FDBDLO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000153525935 525237876 /nfs/dbraw/zinc/23/78/76/525237876.db2.gz UCSFSYACIWKGLD-CYBMUJFWSA-N 1 2 356.373 1.855 20 5 FDBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000153525935 525237881 /nfs/dbraw/zinc/23/78/81/525237881.db2.gz UCSFSYACIWKGLD-CYBMUJFWSA-N 1 2 356.373 1.855 20 5 FDBDLO Cn1cccc1[C@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000162468728 525265002 /nfs/dbraw/zinc/26/50/02/525265002.db2.gz CDHWJSPFCPYFOY-MAUKXSAKSA-N 1 2 361.398 1.747 20 5 FDBDLO Cn1cccc1[C@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000162468728 525265009 /nfs/dbraw/zinc/26/50/09/525265009.db2.gz CDHWJSPFCPYFOY-MAUKXSAKSA-N 1 2 361.398 1.747 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000162714913 525305792 /nfs/dbraw/zinc/30/57/92/525305792.db2.gz KWRZWORHLQOPPI-UHFFFAOYSA-N 1 2 364.305 1.789 20 5 FDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000117372291 525328816 /nfs/dbraw/zinc/32/88/16/525328816.db2.gz QGZGNFIULCHWEP-CQSZACIVSA-N 1 2 371.459 1.635 20 5 FDBDLO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@H+]1CCOC ZINC000117372291 525328826 /nfs/dbraw/zinc/32/88/26/525328826.db2.gz QGZGNFIULCHWEP-CQSZACIVSA-N 1 2 371.459 1.635 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000117369698 525330629 /nfs/dbraw/zinc/33/06/29/525330629.db2.gz XRJRVOBZHKAQHL-ZDUSSCGKSA-N 1 2 357.432 1.077 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000117369698 525330636 /nfs/dbraw/zinc/33/06/36/525330636.db2.gz XRJRVOBZHKAQHL-ZDUSSCGKSA-N 1 2 357.432 1.077 20 5 FDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000164163957 525480160 /nfs/dbraw/zinc/48/01/60/525480160.db2.gz IXKCLRUFNHQZEQ-UHFFFAOYSA-N 1 2 361.377 1.665 20 5 FDBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000105800738 525538299 /nfs/dbraw/zinc/53/82/99/525538299.db2.gz DOLIHXKUMQVFBV-CQSZACIVSA-N 1 2 364.446 1.636 20 5 FDBDLO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000118867101 525571786 /nfs/dbraw/zinc/57/17/86/525571786.db2.gz MCDGAFYYKMCBMV-LLVKDONJSA-N 1 2 362.415 1.880 20 5 FDBDLO Cc1csc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000118867101 525571799 /nfs/dbraw/zinc/57/17/99/525571799.db2.gz MCDGAFYYKMCBMV-LLVKDONJSA-N 1 2 362.415 1.880 20 5 FDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179591620 525606064 /nfs/dbraw/zinc/60/60/64/525606064.db2.gz CTWYGYUIIJWLJA-UHFFFAOYSA-N 1 2 360.395 1.905 20 5 FDBDLO CCc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000170789100 525715704 /nfs/dbraw/zinc/71/57/04/525715704.db2.gz NSDWMGASZCXDNY-UHFFFAOYSA-N 1 2 359.386 1.965 20 5 FDBDLO CCN1CC[NH+]([C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000106479354 525734118 /nfs/dbraw/zinc/73/41/18/525734118.db2.gz HYDUXUWPKLHJLC-LBPRGKRZSA-N 1 2 350.448 1.520 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000170865033 525744524 /nfs/dbraw/zinc/74/45/24/525744524.db2.gz AZVVIFNPGNEDPO-UHFFFAOYSA-N 1 2 374.401 1.016 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000170865033 525744533 /nfs/dbraw/zinc/74/45/33/525744533.db2.gz AZVVIFNPGNEDPO-UHFFFAOYSA-N 1 2 374.401 1.016 20 5 FDBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000155266470 525800209 /nfs/dbraw/zinc/80/02/09/525800209.db2.gz WATMFPSIUUBLFN-UHFFFAOYSA-N 1 2 374.401 1.705 20 5 FDBDLO COCC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155510284 525888725 /nfs/dbraw/zinc/88/87/25/525888725.db2.gz HLBDZFVQPKTOKG-UHFFFAOYSA-N 1 2 351.812 1.105 20 5 FDBDLO COCC[N@@H+](C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155510284 525888732 /nfs/dbraw/zinc/88/87/32/525888732.db2.gz HLBDZFVQPKTOKG-UHFFFAOYSA-N 1 2 351.812 1.105 20 5 FDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000131831049 525908403 /nfs/dbraw/zinc/90/84/03/525908403.db2.gz PSYNLRRDKBZPSI-KBPBESRZSA-N 1 2 374.397 1.636 20 5 FDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000131831049 525908427 /nfs/dbraw/zinc/90/84/27/525908427.db2.gz PSYNLRRDKBZPSI-KBPBESRZSA-N 1 2 374.397 1.636 20 5 FDBDLO C[C@H]([C@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000171595422 526042380 /nfs/dbraw/zinc/04/23/80/526042380.db2.gz IDJNHAPNQHHESQ-UONOGXRCSA-N 1 2 365.434 1.415 20 5 FDBDLO O=[N+]([O-])c1ncn(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)n1 ZINC000109581332 526136787 /nfs/dbraw/zinc/13/67/87/526136787.db2.gz WBOINOHIADLYDK-UHFFFAOYSA-N 1 2 371.357 1.117 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000184593434 536169072 /nfs/dbraw/zinc/16/90/72/536169072.db2.gz JTCIQUPCTAFXSY-HNNXBMFYSA-N 1 2 369.443 1.221 20 5 FDBDLO Cc1nc(N2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000184966608 536194570 /nfs/dbraw/zinc/19/45/70/536194570.db2.gz XIVHQWYHFYMDHG-UHFFFAOYSA-N 1 2 356.386 1.725 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1C ZINC000189080245 536994565 /nfs/dbraw/zinc/99/45/65/536994565.db2.gz DEHVIFHMLOWBTK-QWHCGFSZSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1C ZINC000189080245 536994567 /nfs/dbraw/zinc/99/45/67/536994567.db2.gz DEHVIFHMLOWBTK-QWHCGFSZSA-N 1 2 371.459 1.287 20 5 FDBDLO COc1cccc([C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000246862351 537041442 /nfs/dbraw/zinc/04/14/42/537041442.db2.gz COXXQYACBOABRA-WBVHZDCISA-N 1 2 362.386 1.234 20 5 FDBDLO COc1cccc([C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000246862351 537041445 /nfs/dbraw/zinc/04/14/45/537041445.db2.gz COXXQYACBOABRA-WBVHZDCISA-N 1 2 362.386 1.234 20 5 FDBDLO Cc1nn(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000263642037 537049423 /nfs/dbraw/zinc/04/94/23/537049423.db2.gz CRWBBTCYLLXNLD-UHFFFAOYSA-N 1 2 358.402 1.542 20 5 FDBDLO COC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000189536595 537062094 /nfs/dbraw/zinc/06/20/94/537062094.db2.gz SYIPZFYWYIJJSA-ZDUSSCGKSA-N 1 2 357.432 1.184 20 5 FDBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249005041 537224736 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1 2 355.358 1.690 20 5 FDBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276958657 674819174 /nfs/dbraw/zinc/81/91/74/674819174.db2.gz VHIFEAXFGIMCIP-CYBMUJFWSA-N 1 2 357.432 1.507 20 5 FDBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276958657 674819179 /nfs/dbraw/zinc/81/91/79/674819179.db2.gz VHIFEAXFGIMCIP-CYBMUJFWSA-N 1 2 357.432 1.507 20 5 FDBDLO CN(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000278219056 675106645 /nfs/dbraw/zinc/10/66/45/675106645.db2.gz LHLXBLLCSYLJIU-UHFFFAOYSA-N 1 2 372.403 1.359 20 5 FDBDLO Cc1cccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000068506916 671368641 /nfs/dbraw/zinc/36/86/41/671368641.db2.gz FVIBPYVYXZGSQK-UHFFFAOYSA-N 1 2 369.443 1.142 20 5 FDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000119321255 671672968 /nfs/dbraw/zinc/67/29/68/671672968.db2.gz YXUSWTLCZRNFQF-UHFFFAOYSA-N 1 2 354.413 1.562 20 5 FDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000194331649 672383248 /nfs/dbraw/zinc/38/32/48/672383248.db2.gz DFCUJZZFBFEZTB-UHFFFAOYSA-N 1 2 366.374 1.640 20 5 FDBDLO CC(C)[C@@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000195526889 672408444 /nfs/dbraw/zinc/40/84/44/672408444.db2.gz HLZFAXNRGNCTIN-OAHLLOKOSA-N 1 2 357.357 1.960 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261605987 672634210 /nfs/dbraw/zinc/63/42/10/672634210.db2.gz BDFJUWLXGBXDQS-MRXNPFEDSA-N 1 2 362.411 1.633 20 5 FDBDLO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000289290566 676116747 /nfs/dbraw/zinc/11/67/47/676116747.db2.gz GTQXOZAQJFCPNF-UHFFFAOYSA-N 1 2 362.770 1.952 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289649869 676162659 /nfs/dbraw/zinc/16/26/59/676162659.db2.gz LOGRDUBUISUCJH-NSHDSACASA-N 1 2 372.809 1.405 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281386224 675514989 /nfs/dbraw/zinc/51/49/89/675514989.db2.gz PMLGVPRYTRPJIO-SKDRFNHKSA-N 1 2 368.777 1.617 20 5 FDBDLO O=C(C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281386224 675514991 /nfs/dbraw/zinc/51/49/91/675514991.db2.gz PMLGVPRYTRPJIO-SKDRFNHKSA-N 1 2 368.777 1.617 20 5 FDBDLO COC(=O)Cc1ccc(NC[C@@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000295627846 676408488 /nfs/dbraw/zinc/40/84/88/676408488.db2.gz WZMSDKRFVZNDNT-CYBMUJFWSA-N 1 2 350.419 1.358 20 5 FDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000365992386 677399199 /nfs/dbraw/zinc/39/91/99/677399199.db2.gz KDFJACNQIVWKGC-QMTHXVAHSA-N 1 2 355.341 1.808 20 5 FDBDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000372387259 677908346 /nfs/dbraw/zinc/90/83/46/677908346.db2.gz OOHQEIPORHQNQB-UHFFFAOYSA-N 1 2 350.400 1.948 20 5 FDBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000376797253 678381426 /nfs/dbraw/zinc/38/14/26/678381426.db2.gz VDZACKHULLMJFZ-SECBINFHSA-N 1 2 355.750 1.476 20 5 FDBDLO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377649067 678582103 /nfs/dbraw/zinc/58/21/03/678582103.db2.gz HQIYWMLIZNLQLI-GHMZBOCLSA-N 1 2 354.204 1.925 20 5 FDBDLO O=C1NC[C@@H]2C[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377649067 678582095 /nfs/dbraw/zinc/58/20/95/678582095.db2.gz HQIYWMLIZNLQLI-GHMZBOCLSA-N 1 2 354.204 1.925 20 5 FDBDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411258302 679003291 /nfs/dbraw/zinc/00/32/91/679003291.db2.gz LLQRQECAVIATHK-UONOGXRCSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411258302 679003294 /nfs/dbraw/zinc/00/32/94/679003294.db2.gz LLQRQECAVIATHK-UONOGXRCSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000412083639 679153252 /nfs/dbraw/zinc/15/32/52/679153252.db2.gz YHTRFQDRZNVWOO-INIZCTEOSA-N 1 2 370.427 1.644 20 5 FDBDLO COC(=O)[C@@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000412083639 679153255 /nfs/dbraw/zinc/15/32/55/679153255.db2.gz YHTRFQDRZNVWOO-INIZCTEOSA-N 1 2 370.427 1.644 20 5 FDBDLO Cc1cc(OCC(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413954798 679319304 /nfs/dbraw/zinc/31/93/04/679319304.db2.gz JDCNBEFDOKWNIH-UHFFFAOYSA-N 1 2 351.403 1.509 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000434751588 681521629 /nfs/dbraw/zinc/52/16/29/681521629.db2.gz GYCRBMBZUCQZJX-CQSZACIVSA-N 1 2 369.443 1.603 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000434751588 681521637 /nfs/dbraw/zinc/52/16/37/681521637.db2.gz GYCRBMBZUCQZJX-CQSZACIVSA-N 1 2 369.443 1.603 20 5 FDBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000475408912 685593297 /nfs/dbraw/zinc/59/32/97/685593297.db2.gz VTQRLXNBGJERFN-UHFFFAOYSA-N 1 2 367.383 1.840 20 5 FDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451655634 682913757 /nfs/dbraw/zinc/91/37/57/682913757.db2.gz YRWYVUHXBVUUTM-UONOGXRCSA-N 1 2 372.443 1.234 20 5 FDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451655634 682913758 /nfs/dbraw/zinc/91/37/58/682913758.db2.gz YRWYVUHXBVUUTM-UONOGXRCSA-N 1 2 372.443 1.234 20 5 FDBDLO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000456054247 683561582 /nfs/dbraw/zinc/56/15/82/683561582.db2.gz FZPLPWIZPMDKCG-GFCCVEGCSA-N 1 2 369.443 1.601 20 5 FDBDLO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000456054247 683561585 /nfs/dbraw/zinc/56/15/85/683561585.db2.gz FZPLPWIZPMDKCG-GFCCVEGCSA-N 1 2 369.443 1.601 20 5 FDBDLO CNc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000462901926 684666491 /nfs/dbraw/zinc/66/64/91/684666491.db2.gz GWKYHQKMZIQNKU-HNNXBMFYSA-N 1 2 350.419 1.723 20 5 FDBDLO CC[C@H]1C[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000470614031 685048288 /nfs/dbraw/zinc/04/82/88/685048288.db2.gz PYVQKTBRYITLEQ-HNNXBMFYSA-N 1 2 350.419 1.547 20 5 FDBDLO CC[C@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000470614031 685048295 /nfs/dbraw/zinc/04/82/95/685048295.db2.gz PYVQKTBRYITLEQ-HNNXBMFYSA-N 1 2 350.419 1.547 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000512268206 689601071 /nfs/dbraw/zinc/60/10/71/689601071.db2.gz IDWSFZBGZDXCCH-AWEZNQCLSA-N 1 2 357.432 1.635 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000512268206 689601074 /nfs/dbraw/zinc/60/10/74/689601074.db2.gz IDWSFZBGZDXCCH-AWEZNQCLSA-N 1 2 357.432 1.635 20 5 FDBDLO COc1ccc(CC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000515193548 689826271 /nfs/dbraw/zinc/82/62/71/689826271.db2.gz KYUWRXCIBJDZJW-ZDUSSCGKSA-N 1 2 351.403 1.325 20 5 FDBDLO O=C([C@@H]1Cc2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000471695999 778108359 /nfs/dbraw/zinc/10/83/59/778108359.db2.gz DCUHEKFAHXKREL-SFHVURJKSA-N 1 2 369.425 1.841 20 5 FDBDLO O=C([C@@H]1Cc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000471695999 778108367 /nfs/dbraw/zinc/10/83/67/778108367.db2.gz DCUHEKFAHXKREL-SFHVURJKSA-N 1 2 369.425 1.841 20 5 FDBDLO O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923777703 785320399 /nfs/dbraw/zinc/32/03/99/785320399.db2.gz MSRORWQMMUYJAM-ZBFHGGJFSA-N 1 2 368.361 1.657 20 5 FDBDLO C[S@](=O)CC[NH+]1CCN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892657638 788081490 /nfs/dbraw/zinc/08/14/90/788081490.db2.gz NSPUAZLHSRXDFK-VWLOTQADSA-N 1 2 366.418 1.783 20 5 FDBDLO C[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000782870210 788320988 /nfs/dbraw/zinc/32/09/88/788320988.db2.gz JVNBJLNDGDGUOC-INIZCTEOSA-N 1 2 362.390 1.106 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000378149280 793571924 /nfs/dbraw/zinc/57/19/24/793571924.db2.gz JVPMXBOAPDHSJS-RDJZCZTQSA-N 1 2 363.414 1.977 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000378149276 793572225 /nfs/dbraw/zinc/57/22/25/793572225.db2.gz JVPMXBOAPDHSJS-DOTOQJQBSA-N 1 2 363.414 1.977 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000412376740 794246008 /nfs/dbraw/zinc/24/60/08/794246008.db2.gz XRTIZJFXLYYSBS-LBPRGKRZSA-N 1 2 365.386 1.218 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000412376740 794246017 /nfs/dbraw/zinc/24/60/17/794246017.db2.gz XRTIZJFXLYYSBS-LBPRGKRZSA-N 1 2 365.386 1.218 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000412438112 794865956 /nfs/dbraw/zinc/86/59/56/794865956.db2.gz SETRVXIDGTXQHP-UHFFFAOYSA-N 1 2 367.402 1.023 20 5 FDBDLO COc1cc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc([N+](=O)[O-])c1OC ZINC000505523664 815791082 /nfs/dbraw/zinc/79/10/82/815791082.db2.gz KTTRWASFDGEVHC-AWEZNQCLSA-N 1 2 372.381 1.794 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000515566742 816325278 /nfs/dbraw/zinc/32/52/78/816325278.db2.gz HRPHBNFVAXCYNC-LBPRGKRZSA-N 1 2 359.342 1.031 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000516875264 817072943 /nfs/dbraw/zinc/07/29/43/817072943.db2.gz JUBKFUIZTVIESS-LBPRGKRZSA-N 1 2 364.402 1.485 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000516875264 817072951 /nfs/dbraw/zinc/07/29/51/817072951.db2.gz JUBKFUIZTVIESS-LBPRGKRZSA-N 1 2 364.402 1.485 20 5 FDBDLO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[N@H+]1CCn2nnc(CO)c2C1 ZINC000894806959 818471609 /nfs/dbraw/zinc/47/16/09/818471609.db2.gz UDSDBWGMCYKDFA-BBRMVZONSA-N 1 2 357.414 1.906 20 5 FDBDLO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[N@@H+]1CCn2nnc(CO)c2C1 ZINC000894806959 818471614 /nfs/dbraw/zinc/47/16/14/818471614.db2.gz UDSDBWGMCYKDFA-BBRMVZONSA-N 1 2 357.414 1.906 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000473984851 819828958 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FDBDLO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367702246 988961886 /nfs/dbraw/zinc/96/18/86/988961886.db2.gz BYJURMWYVLCSQW-UHFFFAOYSA-N 1 2 363.414 1.875 20 5 FDBDLO Cc1nn(CCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1[N+](=O)[O-] ZINC000370062514 989424186 /nfs/dbraw/zinc/42/41/86/989424186.db2.gz KRLIFBOLYDKOOA-AWEZNQCLSA-N 1 2 360.418 1.938 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000364300370 989533181 /nfs/dbraw/zinc/53/31/81/989533181.db2.gz CLYVKPNGJVONRY-CZUORRHYSA-N 1 2 362.430 1.398 20 5 FDBDLO Cc1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000370805473 989999854 /nfs/dbraw/zinc/99/98/54/989999854.db2.gz DFRVDYIYQZQHMY-LBPRGKRZSA-N 1 2 364.358 1.358 20 5 FDBDLO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371618784 990574277 /nfs/dbraw/zinc/57/42/77/990574277.db2.gz LEQDVNBWHPHGHT-GUYCJALGSA-N 1 2 374.397 1.021 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000878253640 993841697 /nfs/dbraw/zinc/84/16/97/993841697.db2.gz QKJRJFIEGLTXNV-UHFFFAOYSA-N 1 2 352.464 1.599 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000926943781 996370300 /nfs/dbraw/zinc/37/03/00/996370300.db2.gz MBDIPVIHOLKIKI-SIXLDLHFSA-N 1 2 358.398 1.811 20 5 FDBDLO Cc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ncc1[N+](=O)[O-] ZINC000266836919 999244224 /nfs/dbraw/zinc/24/42/24/999244224.db2.gz JZXBNIXLJUWTGR-UHFFFAOYSA-N 1 2 354.374 1.302 20 5 FDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266961768 999277670 /nfs/dbraw/zinc/27/76/70/999277670.db2.gz UOLSGVRKVODQFO-LBPRGKRZSA-N 1 2 365.386 1.313 20 5 FDBDLO CCOC(=O)c1cc(NCC[NH+]2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000267558884 999360598 /nfs/dbraw/zinc/36/05/98/999360598.db2.gz UKHWUCSNQXHTGI-UHFFFAOYSA-N 1 2 364.402 1.348 20 5 FDBDLO Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)cc1[N+](=O)[O-] ZINC000271080311 999657778 /nfs/dbraw/zinc/65/77/78/999657778.db2.gz QXTPGQMRFDIEPW-UHFFFAOYSA-N 1 2 355.398 1.719 20 5 FDBDLO O=c1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH][nH]1 ZINC000289410406 1000097212 /nfs/dbraw/zinc/09/72/12/1000097212.db2.gz LUQJVRPQDLNNPP-SNVBAGLBSA-N 1 2 361.358 1.252 20 5 FDBDLO O=c1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH][nH]1 ZINC000289410406 1000097214 /nfs/dbraw/zinc/09/72/14/1000097214.db2.gz LUQJVRPQDLNNPP-SNVBAGLBSA-N 1 2 361.358 1.252 20 5 FDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289910138 1000121941 /nfs/dbraw/zinc/12/19/41/1000121941.db2.gz SZAQVBKXVMDRJO-CZUORRHYSA-N 1 2 373.413 1.940 20 5 FDBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000928652072 1001609379 /nfs/dbraw/zinc/60/93/79/1001609379.db2.gz VFPZQHJSNLUYLI-AWEZNQCLSA-N 1 2 351.403 1.509 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000777821679 1002432364 /nfs/dbraw/zinc/43/23/64/1002432364.db2.gz SKWUWKWZIHFKLK-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000777821679 1002432374 /nfs/dbraw/zinc/43/23/74/1002432374.db2.gz SKWUWKWZIHFKLK-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000930585898 1003293523 /nfs/dbraw/zinc/29/35/23/1003293523.db2.gz TZSSIBYUWXYGJS-GRDNDAEWSA-N 1 2 361.398 1.157 20 5 FDBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000932063859 1004747915 /nfs/dbraw/zinc/74/79/15/1004747915.db2.gz XZLAPIZCALEKQB-RVKKMQEKSA-N 1 2 373.409 1.615 20 5 FDBDLO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000932063859 1004747919 /nfs/dbraw/zinc/74/79/19/1004747919.db2.gz XZLAPIZCALEKQB-RVKKMQEKSA-N 1 2 373.409 1.615 20 5 FDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000933171313 1005508702 /nfs/dbraw/zinc/50/87/02/1005508702.db2.gz VUMXHUPUVNJUQZ-TZMCWYRMSA-N 1 2 361.398 1.757 20 5 FDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000933171313 1005508705 /nfs/dbraw/zinc/50/87/05/1005508705.db2.gz VUMXHUPUVNJUQZ-TZMCWYRMSA-N 1 2 361.398 1.757 20 5 FDBDLO CCOC(=O)[C@]1(C)CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795645305 1007260681 /nfs/dbraw/zinc/26/06/81/1007260681.db2.gz TZRQLAHTMMQRLF-GOSISDBHSA-N 1 2 363.414 1.828 20 5 FDBDLO CCOC(=O)[C@]1(C)CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795645305 1007260689 /nfs/dbraw/zinc/26/06/89/1007260689.db2.gz TZRQLAHTMMQRLF-GOSISDBHSA-N 1 2 363.414 1.828 20 5 FDBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000795655805 1007432797 /nfs/dbraw/zinc/43/27/97/1007432797.db2.gz IWQVHLIFGHOFAB-NSHDSACASA-N 1 2 363.340 1.838 20 5 FDBDLO Cc1nn(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000795655805 1007432803 /nfs/dbraw/zinc/43/28/03/1007432803.db2.gz IWQVHLIFGHOFAB-NSHDSACASA-N 1 2 363.340 1.838 20 5 FDBDLO CCCc1noc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000963787159 1012694308 /nfs/dbraw/zinc/69/43/08/1012694308.db2.gz HJIVXLTXGRGGCH-UETSVZEDSA-N 1 2 363.418 1.204 20 5 FDBDLO COc1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194744778 178223375 /nfs/dbraw/zinc/22/33/75/178223375.db2.gz XAQDVXRFYPBRIT-BETUJISGSA-N 1 2 351.403 1.785 20 5 FDBDLO COc1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194744778 178223377 /nfs/dbraw/zinc/22/33/77/178223377.db2.gz XAQDVXRFYPBRIT-BETUJISGSA-N 1 2 351.403 1.785 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195318204 178256446 /nfs/dbraw/zinc/25/64/46/178256446.db2.gz LQXPIMCDZAJXDE-QLFBSQMISA-N 1 2 364.446 1.963 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195318204 178256449 /nfs/dbraw/zinc/25/64/49/178256449.db2.gz LQXPIMCDZAJXDE-QLFBSQMISA-N 1 2 364.446 1.963 20 5 FDBDLO O=C1[C@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245440091 178358554 /nfs/dbraw/zinc/35/85/54/178358554.db2.gz UDWJYBDELYBCDG-OCCSQVGLSA-N 1 2 359.304 1.699 20 5 FDBDLO O=C1[C@H]([N@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245440091 178358557 /nfs/dbraw/zinc/35/85/57/178358557.db2.gz UDWJYBDELYBCDG-OCCSQVGLSA-N 1 2 359.304 1.699 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1C ZINC000245775282 178380426 /nfs/dbraw/zinc/38/04/26/178380426.db2.gz AKBQAOLZIPWPSI-STQMWFEESA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1C ZINC000245775282 178380428 /nfs/dbraw/zinc/38/04/28/178380428.db2.gz AKBQAOLZIPWPSI-STQMWFEESA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246075239 178399014 /nfs/dbraw/zinc/39/90/14/178399014.db2.gz 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ZINC000533983040 540312099 /nfs/dbraw/zinc/31/20/99/540312099.db2.gz GDVAHUUINRHAOH-UHFFFAOYSA-N 1 2 372.429 1.398 20 5 FDBDLO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535008915 540438219 /nfs/dbraw/zinc/43/82/19/540438219.db2.gz RDQWXMCXNSGXQL-IUODEOHRSA-N 1 2 359.386 1.337 20 5 FDBDLO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535008915 540438220 /nfs/dbraw/zinc/43/82/20/540438220.db2.gz RDQWXMCXNSGXQL-IUODEOHRSA-N 1 2 359.386 1.337 20 5 FDBDLO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000535559320 540483557 /nfs/dbraw/zinc/48/35/57/540483557.db2.gz KTECKVMOYMUKQW-QWRGUYRKSA-N 1 2 351.359 1.355 20 5 FDBDLO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000535559320 540483559 /nfs/dbraw/zinc/48/35/59/540483559.db2.gz KTECKVMOYMUKQW-QWRGUYRKSA-N 1 2 351.359 1.355 20 5 FDBDLO COCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000536181549 540563048 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ZINC000272226672 674423128 /nfs/dbraw/zinc/42/31/28/674423128.db2.gz HIQPWZHSJWDEKM-WDEREUQCSA-N 1 2 351.359 1.163 20 5 FDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCCCCNc1cccc[nH+]1 ZINC000823625100 606707188 /nfs/dbraw/zinc/70/71/88/606707188.db2.gz OZKLTOXEFXGGFH-UHFFFAOYSA-N 1 2 355.362 1.869 20 5 FDBDLO C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820727452 606719164 /nfs/dbraw/zinc/71/91/64/606719164.db2.gz MBFSJOQSMMTTDW-CMPLNLGQSA-N 1 2 355.362 1.454 20 5 FDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000823620835 607165587 /nfs/dbraw/zinc/16/55/87/607165587.db2.gz QTAWRRTVNULYTB-UHFFFAOYSA-N 1 2 356.346 1.085 20 5 FDBDLO CCOc1cc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000276890611 674796382 /nfs/dbraw/zinc/79/63/82/674796382.db2.gz KDXKFNDKSCSVOE-UHFFFAOYSA-N 1 2 357.432 1.461 20 5 FDBDLO CCOc1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000276890611 674796386 /nfs/dbraw/zinc/79/63/86/674796386.db2.gz KDXKFNDKSCSVOE-UHFFFAOYSA-N 1 2 357.432 1.461 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261656282 672644360 /nfs/dbraw/zinc/64/43/60/672644360.db2.gz HSVYIVFBLOKXSK-MRXNPFEDSA-N 1 2 362.411 1.466 20 5 FDBDLO CCOC(=O)c1ccnc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265579712 672945695 /nfs/dbraw/zinc/94/56/95/672945695.db2.gz MXUJPAHOLYUWOW-VXGBXAGGSA-N 1 2 352.391 1.688 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCO)CC2)cc1SC ZINC000267347551 673294107 /nfs/dbraw/zinc/29/41/07/673294107.db2.gz UFSULYYCUIWDFS-UHFFFAOYSA-N 1 2 355.416 1.075 20 5 FDBDLO CC[N@@H+]1CC[C@H]2OCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292737312 676308831 /nfs/dbraw/zinc/30/88/31/676308831.db2.gz IPJUYMXEFTXVFK-JKSUJKDBSA-N 1 2 369.443 1.298 20 5 FDBDLO CC[N@H+]1CC[C@H]2OCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292737312 676308834 /nfs/dbraw/zinc/30/88/34/676308834.db2.gz IPJUYMXEFTXVFK-JKSUJKDBSA-N 1 2 369.443 1.298 20 5 FDBDLO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000363807819 676974398 /nfs/dbraw/zinc/97/43/98/676974398.db2.gz ZOJYCYKADJVXCE-TZMCWYRMSA-N 1 2 351.378 1.771 20 5 FDBDLO CC(C)(O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000369883169 677524821 /nfs/dbraw/zinc/52/48/21/677524821.db2.gz JJQHNONNKCTRJH-UHFFFAOYSA-N 1 2 363.461 1.124 20 5 FDBDLO CC(C)(O)C[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000369883169 677524823 /nfs/dbraw/zinc/52/48/23/677524823.db2.gz JJQHNONNKCTRJH-UHFFFAOYSA-N 1 2 363.461 1.124 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000372311343 677892675 /nfs/dbraw/zinc/89/26/75/677892675.db2.gz JEIXLQMOISCIKZ-CYBMUJFWSA-N 1 2 350.400 1.648 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000375933622 678198808 /nfs/dbraw/zinc/19/88/08/678198808.db2.gz PLKDQSOUJKZQKG-GFCCVEGCSA-N 1 2 350.400 1.897 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000378270556 678731807 /nfs/dbraw/zinc/73/18/07/678731807.db2.gz SDCGQYVDPFOYLR-GFCCVEGCSA-N 1 2 350.400 1.815 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411258297 679003224 /nfs/dbraw/zinc/00/32/24/679003224.db2.gz LLQRQECAVIATHK-KBPBESRZSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411258297 679003227 /nfs/dbraw/zinc/00/32/27/679003227.db2.gz LLQRQECAVIATHK-KBPBESRZSA-N 1 2 351.359 1.186 20 5 FDBDLO COc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000414050196 679329106 /nfs/dbraw/zinc/32/91/06/679329106.db2.gz JKNFCXVYUCRPLD-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1C ZINC000420476398 680468395 /nfs/dbraw/zinc/46/83/95/680468395.db2.gz YFLBFGLSTOSHCB-LLVKDONJSA-N 1 2 363.386 1.735 20 5 FDBDLO Cc1cccnc1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420969233 680581630 /nfs/dbraw/zinc/58/16/30/680581630.db2.gz BQWFPCCZYTUTER-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO Cc1cccnc1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420969233 680581634 /nfs/dbraw/zinc/58/16/34/680581634.db2.gz BQWFPCCZYTUTER-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000426183969 680950775 /nfs/dbraw/zinc/95/07/75/680950775.db2.gz PPGYMWWZJWBKJE-HNNXBMFYSA-N 1 2 371.459 1.896 20 5 FDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000426183969 680950776 /nfs/dbraw/zinc/95/07/76/680950776.db2.gz PPGYMWWZJWBKJE-HNNXBMFYSA-N 1 2 371.459 1.896 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428159955 680995814 /nfs/dbraw/zinc/99/58/14/680995814.db2.gz SXHFQHFXDKLSFH-JTQLQIEISA-N 1 2 359.329 1.335 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000428159955 680995815 /nfs/dbraw/zinc/99/58/15/680995815.db2.gz SXHFQHFXDKLSFH-JTQLQIEISA-N 1 2 359.329 1.335 20 5 FDBDLO C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@]1=O ZINC000429587020 681040725 /nfs/dbraw/zinc/04/07/25/681040725.db2.gz YMPLEOYFOABBCI-UOXLDJKESA-N 1 2 367.427 1.736 20 5 FDBDLO C[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@]1=O ZINC000429587020 681040728 /nfs/dbraw/zinc/04/07/28/681040728.db2.gz YMPLEOYFOABBCI-UOXLDJKESA-N 1 2 367.427 1.736 20 5 FDBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449650908 682694447 /nfs/dbraw/zinc/69/44/47/682694447.db2.gz MIBNPWMRGHYBCF-VIFPVBQESA-N 1 2 357.313 1.341 20 5 FDBDLO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000455096683 683395957 /nfs/dbraw/zinc/39/59/57/683395957.db2.gz HSQINRVAYKNWIP-CYBMUJFWSA-N 1 2 350.375 1.588 20 5 FDBDLO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000455096683 683395964 /nfs/dbraw/zinc/39/59/64/683395964.db2.gz HSQINRVAYKNWIP-CYBMUJFWSA-N 1 2 350.375 1.588 20 5 FDBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000463093904 684673662 /nfs/dbraw/zinc/67/36/62/684673662.db2.gz LCSDFXFYQAPSBM-NSHDSACASA-N 1 2 350.404 1.153 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCSC[C@H]3CCO)o2)cc1 ZINC000470363178 685023102 /nfs/dbraw/zinc/02/31/02/685023102.db2.gz NNZNXJOCSLSRKA-CYBMUJFWSA-N 1 2 350.400 1.945 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCSC[C@H]3CCO)o2)cc1 ZINC000470363178 685023105 /nfs/dbraw/zinc/02/31/05/685023105.db2.gz NNZNXJOCSLSRKA-CYBMUJFWSA-N 1 2 350.400 1.945 20 5 FDBDLO Cc1c(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000478602168 685913244 /nfs/dbraw/zinc/91/32/44/685913244.db2.gz OKXFWNIFEONUBX-KBPBESRZSA-N 1 2 350.419 1.812 20 5 FDBDLO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000483312344 686491613 /nfs/dbraw/zinc/49/16/13/686491613.db2.gz VCXYLDLGFFBTJA-QMTHXVAHSA-N 1 2 357.794 1.658 20 5 FDBDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000483312344 686491615 /nfs/dbraw/zinc/49/16/15/686491615.db2.gz VCXYLDLGFFBTJA-QMTHXVAHSA-N 1 2 357.794 1.658 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000492440134 687159177 /nfs/dbraw/zinc/15/91/77/687159177.db2.gz LQWBNFQDTPZJJC-LBPRGKRZSA-N 1 2 350.400 1.701 20 5 FDBDLO CC1(C)C[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000523436693 694527865 /nfs/dbraw/zinc/52/78/65/694527865.db2.gz IKIWUKHEGHFRIO-UHFFFAOYSA-N 1 2 351.359 1.164 20 5 FDBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000523436693 694527867 /nfs/dbraw/zinc/52/78/67/694527867.db2.gz IKIWUKHEGHFRIO-UHFFFAOYSA-N 1 2 351.359 1.164 20 5 FDBDLO COC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000527356232 694667777 /nfs/dbraw/zinc/66/77/77/694667777.db2.gz SYKPOFDDXUALPE-ZDUSSCGKSA-N 1 2 357.432 1.184 20 5 FDBDLO C[C@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000532088996 694864072 /nfs/dbraw/zinc/86/40/72/694864072.db2.gz SUDSVEWSZIECSS-SMDDNHRTSA-N 1 2 365.415 1.526 20 5 FDBDLO CC(C)CCc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022064417 777710783 /nfs/dbraw/zinc/71/07/83/777710783.db2.gz GLYFGZDNYNENBC-YVECIDJPSA-N 1 2 351.407 1.060 20 5 FDBDLO COC(=O)[C@@H](CC(F)F)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000535654834 779645147 /nfs/dbraw/zinc/64/51/47/779645147.db2.gz HKDGHBRLYTURTO-SNVBAGLBSA-N 1 2 368.296 1.707 20 5 FDBDLO O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923775166 784086131 /nfs/dbraw/zinc/08/61/31/784086131.db2.gz CZFGYOSCGSFSNK-ZBFHGGJFSA-N 1 2 368.361 1.657 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1ccnc(Cl)c1)C2 ZINC000981764793 808450340 /nfs/dbraw/zinc/45/03/40/808450340.db2.gz DHIRXEUSYALFRE-ZIAGYGMSSA-N 1 2 364.833 1.825 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1ccnc(Cl)c1)C2 ZINC000981764793 808450342 /nfs/dbraw/zinc/45/03/42/808450342.db2.gz DHIRXEUSYALFRE-ZIAGYGMSSA-N 1 2 364.833 1.825 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1ccc(Cl)nc1)C2 ZINC000981764775 808450354 /nfs/dbraw/zinc/45/03/54/808450354.db2.gz CJMRPISJNWILNM-ZIAGYGMSSA-N 1 2 364.833 1.825 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1ccc(Cl)nc1)C2 ZINC000981764775 808450355 /nfs/dbraw/zinc/45/03/55/808450355.db2.gz CJMRPISJNWILNM-ZIAGYGMSSA-N 1 2 364.833 1.825 20 5 FDBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000513836179 815518689 /nfs/dbraw/zinc/51/86/89/815518689.db2.gz CGEQWTNTILKTHS-UHFFFAOYSA-N 1 2 353.338 1.870 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1F ZINC000413785157 814172337 /nfs/dbraw/zinc/17/23/37/814172337.db2.gz QEPCRLUFKIYSLG-AWEZNQCLSA-N 1 2 374.372 1.853 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c1F ZINC000413785490 814172376 /nfs/dbraw/zinc/17/23/76/814172376.db2.gz QTUMKZHJBKSKNA-AWEZNQCLSA-N 1 2 374.372 1.853 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425534959 816479037 /nfs/dbraw/zinc/47/90/37/816479037.db2.gz BYTRBGLKYLKCBU-GFCCVEGCSA-N 1 2 361.402 1.411 20 5 FDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000426191778 817748521 /nfs/dbraw/zinc/74/85/21/817748521.db2.gz WIUQXEMHAOQCGF-GFCCVEGCSA-N 1 2 359.390 1.349 20 5 FDBDLO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nnc(C(F)F)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983656037 818420961 /nfs/dbraw/zinc/42/09/61/818420961.db2.gz WOLKUBDWDOZTQE-FNCVBFRFSA-N 1 2 361.374 1.125 20 5 FDBDLO Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000474002325 820288677 /nfs/dbraw/zinc/28/86/77/820288677.db2.gz UZLAVACVXILESI-HNNXBMFYSA-N 1 2 363.414 1.467 20 5 FDBDLO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[nH]1 ZINC000474009979 820490613 /nfs/dbraw/zinc/49/06/13/820490613.db2.gz NIMSLUCZCKRIID-SNVBAGLBSA-N 1 2 363.374 1.678 20 5 FDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000895802720 822752650 /nfs/dbraw/zinc/75/26/50/822752650.db2.gz WQHGWXWPJNGBBI-LBPRGKRZSA-N 1 2 363.418 1.308 20 5 FDBDLO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000441223122 828678133 /nfs/dbraw/zinc/67/81/33/828678133.db2.gz JJHNLYHMMAPYEY-NHYWBVRUSA-N 1 2 365.386 1.168 20 5 FDBDLO O=c1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)[nH][nH]1 ZINC000280970140 825833532 /nfs/dbraw/zinc/83/35/32/825833532.db2.gz KLHZPHIOIHLOBJ-UHFFFAOYSA-N 1 2 361.358 1.252 20 5 FDBDLO COc1ccc(OCC[NH+]2CCN(Cc3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000444131199 826324790 /nfs/dbraw/zinc/32/47/90/826324790.db2.gz NHVUSWDCAJBECX-UHFFFAOYSA-N 1 2 361.402 1.523 20 5 FDBDLO CC(C)c1cnc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985430547 827808654 /nfs/dbraw/zinc/80/86/54/827808654.db2.gz CDVMDYIRRLARGW-ZIAGYGMSSA-N 1 2 350.419 1.886 20 5 FDBDLO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000444750704 828187703 /nfs/dbraw/zinc/18/77/03/828187703.db2.gz ILUYQJCDKUFRRO-OCCSQVGLSA-N 1 2 367.402 1.668 20 5 FDBDLO COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000444750704 828187708 /nfs/dbraw/zinc/18/77/08/828187708.db2.gz ILUYQJCDKUFRRO-OCCSQVGLSA-N 1 2 367.402 1.668 20 5 FDBDLO O=C(NCCCN1CCCCC1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448925326 829301480 /nfs/dbraw/zinc/30/14/80/829301480.db2.gz NPDAPEHDEXQWOP-UHFFFAOYSA-N 1 2 371.397 1.913 20 5 FDBDLO O=C(NCCCOC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449928431 829728718 /nfs/dbraw/zinc/72/87/18/829728718.db2.gz XZSRJFHVKHKTOM-AWEZNQCLSA-N 1 2 374.397 1.954 20 5 FDBDLO CCC(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450137846 829831293 /nfs/dbraw/zinc/83/12/93/829831293.db2.gz WCHSZGJAPGHNRO-CYBMUJFWSA-N 1 2 357.370 1.521 20 5 FDBDLO COC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000450147979 829836788 /nfs/dbraw/zinc/83/67/88/829836788.db2.gz QLNCDCGWNZFLAC-INIZCTEOSA-N 1 2 362.342 1.088 20 5 FDBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000450462474 829966167 /nfs/dbraw/zinc/96/61/67/829966167.db2.gz GUCGLOYZGIWHFZ-JSGCOSHPSA-N 1 2 373.392 1.651 20 5 FDBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000450462474 829966178 /nfs/dbraw/zinc/96/61/78/829966178.db2.gz GUCGLOYZGIWHFZ-JSGCOSHPSA-N 1 2 373.392 1.651 20 5 FDBDLO CCOCCOCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451092412 830245130 /nfs/dbraw/zinc/24/51/30/830245130.db2.gz YHDINLLKBNPXDS-UHFFFAOYSA-N 1 2 362.386 1.906 20 5 FDBDLO Cc1cc(C(=O)N2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)[nH]n1 ZINC000459572559 838846674 /nfs/dbraw/zinc/84/66/74/838846674.db2.gz QUZSOJLVAUOFQG-CQSZACIVSA-N 1 2 373.413 1.852 20 5 FDBDLO Cc1cc(C(=O)N2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)[nH]n1 ZINC000459572559 838846687 /nfs/dbraw/zinc/84/66/87/838846687.db2.gz QUZSOJLVAUOFQG-CQSZACIVSA-N 1 2 373.413 1.852 20 5 FDBDLO CSc1cccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC000899061370 845720895 /nfs/dbraw/zinc/72/08/95/845720895.db2.gz CFLLXACDIJJEQW-UHFFFAOYSA-N 1 2 367.427 1.495 20 5 FDBDLO CSc1cccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC000899061370 845720897 /nfs/dbraw/zinc/72/08/97/845720897.db2.gz CFLLXACDIJJEQW-UHFFFAOYSA-N 1 2 367.427 1.495 20 5 FDBDLO Cn1cc([C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[NH2+]2)cn1 ZINC000913467628 862162860 /nfs/dbraw/zinc/16/28/60/862162860.db2.gz GZQCGZYODILAFX-INIZCTEOSA-N 1 2 368.397 1.456 20 5 FDBDLO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1CO ZINC000913549655 862365400 /nfs/dbraw/zinc/36/54/00/862365400.db2.gz CNOHIBHKHCXUHN-JTQLQIEISA-N 1 2 358.192 1.106 20 5 FDBDLO C[N@H+]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1CO ZINC000913549655 862365421 /nfs/dbraw/zinc/36/54/21/862365421.db2.gz CNOHIBHKHCXUHN-JTQLQIEISA-N 1 2 358.192 1.106 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000907790668 854661074 /nfs/dbraw/zinc/66/10/74/854661074.db2.gz RFFQVMURPQHFPQ-UHFFFAOYSA-N 1 2 370.475 1.025 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000907790668 854661080 /nfs/dbraw/zinc/66/10/80/854661080.db2.gz RFFQVMURPQHFPQ-UHFFFAOYSA-N 1 2 370.475 1.025 20 5 FDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218097 866771191 /nfs/dbraw/zinc/77/11/91/866771191.db2.gz RIPCNZNZNUSTCH-IYBDPMFKSA-N 1 2 358.398 1.529 20 5 FDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456218097 866771206 /nfs/dbraw/zinc/77/12/06/866771206.db2.gz RIPCNZNZNUSTCH-IYBDPMFKSA-N 1 2 358.398 1.529 20 5 FDBDLO Cc1cc(C)c(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000456863183 867113760 /nfs/dbraw/zinc/11/37/60/867113760.db2.gz QXNZSIUPACFCKJ-UHFFFAOYSA-N 1 2 371.397 1.722 20 5 FDBDLO O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457253602 867363212 /nfs/dbraw/zinc/36/32/12/867363212.db2.gz CSCPSJQQKNHOJR-KBPBESRZSA-N 1 2 369.381 1.664 20 5 FDBDLO COc1cc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1OC ZINC000535145535 867473321 /nfs/dbraw/zinc/47/33/21/867473321.db2.gz SBUZKPIJQXXQKF-LLVKDONJSA-N 1 2 360.370 1.975 20 5 FDBDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000921413990 887915782 /nfs/dbraw/zinc/91/57/82/887915782.db2.gz ZFFYGDIZAHZPEP-ZETCQYMHSA-N 1 2 354.215 1.884 20 5 FDBDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000921413990 887915784 /nfs/dbraw/zinc/91/57/84/887915784.db2.gz ZFFYGDIZAHZPEP-ZETCQYMHSA-N 1 2 354.215 1.884 20 5 FDBDLO O=C(NC[C@H]1C[C@H]([NH2+]Cc2noc(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086364156 926847297 /nfs/dbraw/zinc/84/72/97/926847297.db2.gz VTMAFZRRONTGHR-NMFUWQPSSA-N 1 2 371.397 1.386 20 5 FDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCn3c(COc4ccccn4)nnc3C2)C1 ZINC001169025672 928251218 /nfs/dbraw/zinc/25/12/18/928251218.db2.gz TZPYMQOGSMBOGW-UONOGXRCSA-N 1 2 358.402 1.513 20 5 FDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCn3c(COc4ccccn4)nnc3C2)C1 ZINC001169025672 928251227 /nfs/dbraw/zinc/25/12/27/928251227.db2.gz TZPYMQOGSMBOGW-UONOGXRCSA-N 1 2 358.402 1.513 20 5 FDBDLO CN(C)c1cc(COC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc[nH+]1 ZINC000767536029 929399180 /nfs/dbraw/zinc/39/91/80/929399180.db2.gz GASHZJVSKJNTQK-UHFFFAOYSA-N 1 2 359.338 1.991 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000771952834 930979500 /nfs/dbraw/zinc/97/95/00/930979500.db2.gz VRNARAPSKFYEIO-MRXNPFEDSA-N 1 2 372.381 1.948 20 5 FDBDLO Nc1cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc[nH+]1 ZINC000791899671 934205324 /nfs/dbraw/zinc/20/53/24/934205324.db2.gz PBRQUMKYMWILNA-NSHDSACASA-N 1 2 360.326 1.513 20 5 FDBDLO O=C(NCc1nc(C2CC2)no1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000822626279 945138328 /nfs/dbraw/zinc/13/83/28/945138328.db2.gz WUYJETGVZNSWQL-UHFFFAOYSA-N 1 2 354.326 1.971 20 5 FDBDLO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000807969289 940498742 /nfs/dbraw/zinc/49/87/42/940498742.db2.gz AYDXULUHXYYOAD-UHFFFAOYSA-N 1 2 359.452 1.041 20 5 FDBDLO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809810155 940900021 /nfs/dbraw/zinc/90/00/21/940900021.db2.gz MLWLCSLJDIRHHR-QMMMGPOBSA-N 1 2 351.787 1.760 20 5 FDBDLO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809810155 940900023 /nfs/dbraw/zinc/90/00/23/940900023.db2.gz MLWLCSLJDIRHHR-QMMMGPOBSA-N 1 2 351.787 1.760 20 5 FDBDLO Cn1c[nH+]cc1COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000747781587 941191294 /nfs/dbraw/zinc/19/12/94/941191294.db2.gz MKXATTRLDUXRRX-LLVKDONJSA-N 1 2 364.383 1.738 20 5 FDBDLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000816743286 942329371 /nfs/dbraw/zinc/32/93/71/942329371.db2.gz MJAFEYMEKHSFGC-GASCZTMLSA-N 1 2 369.381 1.331 20 5 FDBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)nc1 ZINC000817415496 942769835 /nfs/dbraw/zinc/76/98/35/942769835.db2.gz XYHDOATWYTYZEC-UHFFFAOYSA-N 1 2 368.390 1.539 20 5 FDBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)nc1 ZINC000817415496 942769836 /nfs/dbraw/zinc/76/98/36/942769836.db2.gz XYHDOATWYTYZEC-UHFFFAOYSA-N 1 2 368.390 1.539 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000824576321 946548578 /nfs/dbraw/zinc/54/85/78/946548578.db2.gz IYSVOELEVADYRJ-GFCCVEGCSA-N 1 2 353.375 1.885 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000824576321 946548586 /nfs/dbraw/zinc/54/85/86/946548586.db2.gz IYSVOELEVADYRJ-GFCCVEGCSA-N 1 2 353.375 1.885 20 5 FDBDLO COc1c(O)ccc(CN2CC[NH+](CCc3cnccn3)CC2)c1[N+](=O)[O-] ZINC001183464148 963056928 /nfs/dbraw/zinc/05/69/28/963056928.db2.gz PAYAMDLMWWIEBI-UHFFFAOYSA-N 1 2 373.413 1.459 20 5 FDBDLO C[C@H](C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC001178188037 964136590 /nfs/dbraw/zinc/13/65/90/964136590.db2.gz IITLAPFTZBKQSG-MRVPVSSYSA-N 1 2 351.222 1.880 20 5 FDBDLO O=C1[C@@H]([N@@H+]2CCC3=C(CCC(=O)N3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000852298140 967197090 /nfs/dbraw/zinc/19/70/90/967197090.db2.gz UOMBADYUNVKRFN-INIZCTEOSA-N 1 2 356.382 1.570 20 5 FDBDLO O=C1[C@@H]([N@H+]2CCC3=C(CCC(=O)N3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000852298140 967197095 /nfs/dbraw/zinc/19/70/95/967197095.db2.gz UOMBADYUNVKRFN-INIZCTEOSA-N 1 2 356.382 1.570 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC000852299216 967198718 /nfs/dbraw/zinc/19/87/18/967198718.db2.gz OJZFPWQYCPKXBW-NSHDSACASA-N 1 2 374.397 1.800 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])c1 ZINC000852299216 967198724 /nfs/dbraw/zinc/19/87/24/967198724.db2.gz OJZFPWQYCPKXBW-NSHDSACASA-N 1 2 374.397 1.800 20 5 FDBDLO COCCOC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853496356 968054991 /nfs/dbraw/zinc/05/49/91/968054991.db2.gz GBOXBLROCANLPC-UHFFFAOYSA-N 1 2 361.402 1.938 20 5 FDBDLO Cc1nn(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000853531959 968089061 /nfs/dbraw/zinc/08/90/61/968089061.db2.gz MVKVUUGKPBCKLG-MSOLQXFVSA-N 1 2 371.441 1.951 20 5 FDBDLO Cc1nn(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000853531959 968089069 /nfs/dbraw/zinc/08/90/69/968089069.db2.gz MVKVUUGKPBCKLG-MSOLQXFVSA-N 1 2 371.441 1.951 20 5 FDBDLO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001200470185 974796046 /nfs/dbraw/zinc/79/60/46/974796046.db2.gz FECASPMAYJELSL-QMMMGPOBSA-N 1 2 351.222 1.880 20 5 FDBDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000866377962 975583243 /nfs/dbraw/zinc/58/32/43/975583243.db2.gz PHLADWSGXWHMIZ-JTQLQIEISA-N 1 2 350.780 1.287 20 5 FDBDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000866377962 975583251 /nfs/dbraw/zinc/58/32/51/975583251.db2.gz PHLADWSGXWHMIZ-JTQLQIEISA-N 1 2 350.780 1.287 20 5 FDBDLO O=C(NCC[N@@H+]1CCCOCC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592315 976927564 /nfs/dbraw/zinc/92/75/64/976927564.db2.gz IEPMFROPUQOJTH-UHFFFAOYSA-N 1 2 359.329 1.405 20 5 FDBDLO O=C(NCC[N@H+]1CCCOCC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592315 976927571 /nfs/dbraw/zinc/92/75/71/976927571.db2.gz IEPMFROPUQOJTH-UHFFFAOYSA-N 1 2 359.329 1.405 20 5 FDBDLO NC(=O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000880395040 979160146 /nfs/dbraw/zinc/16/01/46/979160146.db2.gz DGEBIIGNIBISAK-UHFFFAOYSA-N 1 2 372.219 1.824 20 5 FDBDLO NC(=O)C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1 ZINC000880395040 979160151 /nfs/dbraw/zinc/16/01/51/979160151.db2.gz DGEBIIGNIBISAK-UHFFFAOYSA-N 1 2 372.219 1.824 20 5 FDBDLO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882508710 980689533 /nfs/dbraw/zinc/68/95/33/980689533.db2.gz LHUSELCTESPTQR-ZDUSSCGKSA-N 1 2 351.428 1.910 20 5 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/nfs/dbraw/zinc/17/31/69/989173169.db2.gz WKMUNWACLURLKC-AWEZNQCLSA-N 1 2 370.413 1.924 20 5 FDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000363408875 989173174 /nfs/dbraw/zinc/17/31/74/989173174.db2.gz WKMUNWACLURLKC-AWEZNQCLSA-N 1 2 370.413 1.924 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000363408876 989173435 /nfs/dbraw/zinc/17/34/35/989173435.db2.gz WKMUNWACLURLKC-CQSZACIVSA-N 1 2 370.413 1.924 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ncccn2)CC1 ZINC000363408876 989173442 /nfs/dbraw/zinc/17/34/42/989173442.db2.gz WKMUNWACLURLKC-CQSZACIVSA-N 1 2 370.413 1.924 20 5 FDBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000363523402 989269043 /nfs/dbraw/zinc/26/90/43/989269043.db2.gz CPJNLQBGLPWKEB-QWHCGFSZSA-N 1 2 356.386 1.462 20 5 FDBDLO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3F)CC2)cn1 ZINC000370464791 989766438 /nfs/dbraw/zinc/76/64/38/989766438.db2.gz 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O=[N+]([O-])c1cncc(Cl)c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000590576867 551793942 /nfs/dbraw/zinc/79/39/42/551793942.db2.gz RYTRJMMPMLZONE-UHFFFAOYSA-N 1 2 352.782 1.337 20 5 FDBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@H](F)C3)c([N+](=O)[O-])c2)CC1 ZINC000590714138 551807569 /nfs/dbraw/zinc/80/75/69/551807569.db2.gz AVNAGVQRCODEIH-LBPRGKRZSA-N 1 2 372.422 1.079 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590757516 551813024 /nfs/dbraw/zinc/81/30/24/551813024.db2.gz PYSDWAUZROGUMN-FZMZJTMJSA-N 1 2 362.317 1.506 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(C)cc1[N+](=O)[O-] ZINC000591328031 551862288 /nfs/dbraw/zinc/86/22/88/551862288.db2.gz UJZSGDHZUJCORT-UHFFFAOYSA-N 1 2 371.459 1.289 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c(C)cc1[N+](=O)[O-] ZINC000591328031 551862290 /nfs/dbraw/zinc/86/22/90/551862290.db2.gz UJZSGDHZUJCORT-UHFFFAOYSA-N 1 2 371.459 1.289 20 5 FDBDLO CCc1cc(N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc[nH+]1 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357.798 1.626 20 5 FDBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000597624423 552813582 /nfs/dbraw/zinc/81/35/82/552813582.db2.gz IQIFNKYPLZTUQG-MRXNPFEDSA-N 1 2 360.414 1.064 20 5 FDBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000597624423 552813583 /nfs/dbraw/zinc/81/35/83/552813583.db2.gz IQIFNKYPLZTUQG-MRXNPFEDSA-N 1 2 360.414 1.064 20 5 FDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597707349 552824530 /nfs/dbraw/zinc/82/45/30/552824530.db2.gz OQTKKLFHYYQJTB-AWEZNQCLSA-N 1 2 363.414 1.930 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000597845350 552839885 /nfs/dbraw/zinc/83/98/85/552839885.db2.gz GCBUSZLUPLPTEV-OAHLLOKOSA-N 1 2 362.386 1.583 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H](C)CO1 ZINC000597996312 552854627 /nfs/dbraw/zinc/85/46/27/552854627.db2.gz INRJIBOTBUNRFY-RYUDHWBXSA-N 1 2 365.386 1.205 20 5 FDBDLO 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FBXQQZUKTPNWDU-CYBMUJFWSA-N 1 2 350.419 1.454 20 5 FDBDLO Cc1cc(OCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000281266407 675505660 /nfs/dbraw/zinc/50/56/60/675505660.db2.gz FVQRVULKHBRSCR-AWEZNQCLSA-N 1 2 350.419 1.034 20 5 FDBDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283174243 675650410 /nfs/dbraw/zinc/65/04/10/675650410.db2.gz KUGIGXACIGEHPE-GWCFXTLKSA-N 1 2 367.427 1.211 20 5 FDBDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283174243 675650413 /nfs/dbraw/zinc/65/04/13/675650413.db2.gz KUGIGXACIGEHPE-GWCFXTLKSA-N 1 2 367.427 1.211 20 5 FDBDLO NC(=O)c1ccc(SCC(=O)NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298199073 676439937 /nfs/dbraw/zinc/43/99/37/676439937.db2.gz FHHBZFVSYGBSOO-UHFFFAOYSA-N 1 2 363.399 1.189 20 5 FDBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000328084565 676597425 /nfs/dbraw/zinc/59/74/25/676597425.db2.gz TUGVXCJEOZYDFE-UHFFFAOYSA-N 1 2 365.367 1.992 20 5 FDBDLO O=C1NCCCC[C@H]1[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363611868 676965208 /nfs/dbraw/zinc/96/52/08/676965208.db2.gz AMLPZEJPIVWXQH-MRXNPFEDSA-N 1 2 350.394 1.520 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365087643 677348618 /nfs/dbraw/zinc/34/86/18/677348618.db2.gz OSSXQKBDQATKNQ-CQSZACIVSA-N 1 2 371.484 1.548 20 5 FDBDLO NS(=O)(=O)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000367096888 677485826 /nfs/dbraw/zinc/48/58/26/677485826.db2.gz SXCRHXANQJSARK-UHFFFAOYSA-N 1 2 366.399 1.503 20 5 FDBDLO Cc1csc(NC(=O)[C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000370036726 677538607 /nfs/dbraw/zinc/53/86/07/677538607.db2.gz KLBDGKDLIPZWFW-NSHDSACASA-N 1 2 364.431 1.944 20 5 FDBDLO Cc1csc(NC(=O)[C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000370036726 677538609 /nfs/dbraw/zinc/53/86/09/677538609.db2.gz KLBDGKDLIPZWFW-NSHDSACASA-N 1 2 364.431 1.944 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000375935420 678199855 /nfs/dbraw/zinc/19/98/55/678199855.db2.gz VPNBKGLHBHRGPY-SNVBAGLBSA-N 1 2 356.429 1.958 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377723328 678598519 /nfs/dbraw/zinc/59/85/19/678598519.db2.gz NCQJDLMKNDNRFC-SCVCMEIPSA-N 1 2 366.805 1.643 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377723328 678598526 /nfs/dbraw/zinc/59/85/26/678598526.db2.gz NCQJDLMKNDNRFC-SCVCMEIPSA-N 1 2 366.805 1.643 20 5 FDBDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000412101736 679156691 /nfs/dbraw/zinc/15/66/91/679156691.db2.gz YZNWZLNSRSSLAV-GHMZBOCLSA-N 1 2 351.359 1.355 20 5 FDBDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000412101736 679156693 /nfs/dbraw/zinc/15/66/93/679156693.db2.gz YZNWZLNSRSSLAV-GHMZBOCLSA-N 1 2 351.359 1.355 20 5 FDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416413215 679612297 /nfs/dbraw/zinc/61/22/97/679612297.db2.gz OWSKXQIUCSERAM-AWEZNQCLSA-N 1 2 371.459 1.289 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000416454920 679629926 /nfs/dbraw/zinc/62/99/26/679629926.db2.gz TYCJLYBQFHWISD-WDEREUQCSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000416454920 679629927 /nfs/dbraw/zinc/62/99/27/679629927.db2.gz TYCJLYBQFHWISD-WDEREUQCSA-N 1 2 371.415 1.095 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000430214365 681067149 /nfs/dbraw/zinc/06/71/49/681067149.db2.gz YOLAHEHJRMGNKO-LBPRGKRZSA-N 1 2 352.309 1.711 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000430214365 681067153 /nfs/dbraw/zinc/06/71/53/681067153.db2.gz YOLAHEHJRMGNKO-LBPRGKRZSA-N 1 2 352.309 1.711 20 5 FDBDLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433149687 681174948 /nfs/dbraw/zinc/17/49/48/681174948.db2.gz DVUHFQHFCFAQIS-GFCCVEGCSA-N 1 2 359.810 1.904 20 5 FDBDLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433149687 681174950 /nfs/dbraw/zinc/17/49/50/681174950.db2.gz DVUHFQHFCFAQIS-GFCCVEGCSA-N 1 2 359.810 1.904 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000439881238 681951645 /nfs/dbraw/zinc/95/16/45/681951645.db2.gz MCGRIXJRAREKLS-GFCCVEGCSA-N 1 2 352.391 1.836 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000439881238 681951648 /nfs/dbraw/zinc/95/16/48/681951648.db2.gz MCGRIXJRAREKLS-GFCCVEGCSA-N 1 2 352.391 1.836 20 5 FDBDLO C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000450285050 682750572 /nfs/dbraw/zinc/75/05/72/682750572.db2.gz DRTAFHWSRIUTQU-ZDUSSCGKSA-N 1 2 358.276 1.824 20 5 FDBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451746093 682929372 /nfs/dbraw/zinc/92/93/72/682929372.db2.gz WZMLYMJVJJWLIF-MRXNPFEDSA-N 1 2 354.428 1.874 20 5 FDBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451746093 682929373 /nfs/dbraw/zinc/92/93/73/682929373.db2.gz WZMLYMJVJJWLIF-MRXNPFEDSA-N 1 2 354.428 1.874 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000469029433 684943744 /nfs/dbraw/zinc/94/37/44/684943744.db2.gz PAOWEWPGTTZORL-UHFFFAOYSA-N 1 2 350.400 1.997 20 5 FDBDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483268051 686482693 /nfs/dbraw/zinc/48/26/93/686482693.db2.gz ZLLJFCYEUQCQPL-GXFFZTMASA-N 1 2 357.794 1.658 20 5 FDBDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483268051 686482698 /nfs/dbraw/zinc/48/26/98/686482698.db2.gz ZLLJFCYEUQCQPL-GXFFZTMASA-N 1 2 357.794 1.658 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000492195492 687157962 /nfs/dbraw/zinc/15/79/62/687157962.db2.gz WNFBUXAVHOCUEQ-VIFPVBQESA-N 1 2 370.362 1.232 20 5 FDBDLO CC[C@H](C(=O)OC)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000511624403 689543413 /nfs/dbraw/zinc/54/34/13/689543413.db2.gz OZXSVTVYUNPAQW-MRXNPFEDSA-N 1 2 351.403 1.543 20 5 FDBDLO COc1cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)ncc1[N+](=O)[O-] ZINC001164916122 721814670 /nfs/dbraw/zinc/81/46/70/721814670.db2.gz ADGLQAUGWBGXKB-UHFFFAOYSA-N 1 2 372.429 1.944 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000275961236 774772108 /nfs/dbraw/zinc/77/21/08/774772108.db2.gz MVZBTFVVWQPOTQ-XJKSGUPXSA-N 1 2 360.418 1.591 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000275961236 774772116 /nfs/dbraw/zinc/77/21/16/774772116.db2.gz MVZBTFVVWQPOTQ-XJKSGUPXSA-N 1 2 360.418 1.591 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000276661117 778433097 /nfs/dbraw/zinc/43/30/97/778433097.db2.gz FWEGMZSSMZIMNX-CQSZACIVSA-N 1 2 369.381 1.617 20 5 FDBDLO COC(=O)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000376548228 788300467 /nfs/dbraw/zinc/30/04/67/788300467.db2.gz WQKYBHOMWUMUQZ-LBPRGKRZSA-N 1 2 369.349 1.326 20 5 FDBDLO COC(=O)C[C@H]1COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000376548228 788300475 /nfs/dbraw/zinc/30/04/75/788300475.db2.gz WQKYBHOMWUMUQZ-LBPRGKRZSA-N 1 2 369.349 1.326 20 5 FDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000472703814 791407562 /nfs/dbraw/zinc/40/75/62/791407562.db2.gz KZHCDDFRVTTZHS-LBPRGKRZSA-N 1 2 373.344 1.463 20 5 FDBDLO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000378213471 793719742 /nfs/dbraw/zinc/71/97/42/793719742.db2.gz WUGRMGWIUNBDMH-OAGGEKHMSA-N 1 2 355.398 1.934 20 5 FDBDLO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000378213471 793719745 /nfs/dbraw/zinc/71/97/45/793719745.db2.gz WUGRMGWIUNBDMH-OAGGEKHMSA-N 1 2 355.398 1.934 20 5 FDBDLO CNc1c(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)cccc1[N+](=O)[O-] ZINC000412374416 794209394 /nfs/dbraw/zinc/20/93/94/794209394.db2.gz TYVQXSVJAAQHCN-GFCCVEGCSA-N 1 2 364.402 1.251 20 5 FDBDLO CNc1c(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)cccc1[N+](=O)[O-] ZINC000412374416 794209400 /nfs/dbraw/zinc/20/94/00/794209400.db2.gz TYVQXSVJAAQHCN-GFCCVEGCSA-N 1 2 364.402 1.251 20 5 FDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930827923 795181154 /nfs/dbraw/zinc/18/11/54/795181154.db2.gz XNYRBLPTDBLGCT-JQWIXIFHSA-N 1 2 373.203 1.713 20 5 FDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930827923 795181158 /nfs/dbraw/zinc/18/11/58/795181158.db2.gz XNYRBLPTDBLGCT-JQWIXIFHSA-N 1 2 373.203 1.713 20 5 FDBDLO O=c1[nH]nc(C2CC[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)[nH]1 ZINC000366714414 813841053 /nfs/dbraw/zinc/84/10/53/813841053.db2.gz SHKYSLXRAJSPKV-AWEZNQCLSA-N 1 2 372.385 1.403 20 5 FDBDLO CCCN1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000421610359 814240484 /nfs/dbraw/zinc/24/04/84/814240484.db2.gz YNNFNDVSJNXFIN-ZDUSSCGKSA-N 1 2 371.397 1.769 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425535999 816482577 /nfs/dbraw/zinc/48/25/77/816482577.db2.gz DTJOCVIAGSKGJR-UHFFFAOYSA-N 1 2 361.402 1.331 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425540810 816504086 /nfs/dbraw/zinc/50/40/86/816504086.db2.gz MAXMQPWSXNZYDF-UHFFFAOYSA-N 1 2 357.370 1.446 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000425540810 816504093 /nfs/dbraw/zinc/50/40/93/816504093.db2.gz MAXMQPWSXNZYDF-UHFFFAOYSA-N 1 2 357.370 1.446 20 5 FDBDLO COc1cccc(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)c1[N+](=O)[O-] ZINC000516655874 816947763 /nfs/dbraw/zinc/94/77/63/816947763.db2.gz OWOWGKXLLNPHEL-GFCCVEGCSA-N 1 2 374.397 1.388 20 5 FDBDLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000507432203 818768396 /nfs/dbraw/zinc/76/83/96/818768396.db2.gz XIUJOABWUMBFPL-UHFFFAOYSA-N 1 2 362.430 1.951 20 5 FDBDLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000507432203 818768402 /nfs/dbraw/zinc/76/84/02/818768402.db2.gz XIUJOABWUMBFPL-UHFFFAOYSA-N 1 2 362.430 1.951 20 5 FDBDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521847467 821366838 /nfs/dbraw/zinc/36/68/38/821366838.db2.gz FTBPCGCOLRVMHG-UHFFFAOYSA-N 1 2 363.349 1.515 20 5 FDBDLO CCC(=O)N1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000524487328 828385924 /nfs/dbraw/zinc/38/59/24/828385924.db2.gz ZTAJXOGOIGKDFD-UHFFFAOYSA-N 1 2 371.397 1.865 20 5 FDBDLO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000429682946 822397713 /nfs/dbraw/zinc/39/77/13/822397713.db2.gz JZXRVHQLAAJNDX-SFHVURJKSA-N 1 2 372.381 1.996 20 5 FDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000840524778 824374312 /nfs/dbraw/zinc/37/43/12/824374312.db2.gz FYAXFRSCPBKBDA-UHFFFAOYSA-N 1 2 355.366 1.340 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000447656231 828815740 /nfs/dbraw/zinc/81/57/40/828815740.db2.gz KBEIXSZLXCJUBG-AWEZNQCLSA-N 1 2 373.413 1.573 20 5 FDBDLO NC(=O)c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000281848268 826272620 /nfs/dbraw/zinc/27/26/20/826272620.db2.gz YXPNFMDDQGXTCQ-SFHVURJKSA-N 1 2 357.366 1.454 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CCN1CCOCC1 ZINC000487494744 827921444 /nfs/dbraw/zinc/92/14/44/827921444.db2.gz FCXBCXHILYAFMK-UHFFFAOYSA-N 1 2 367.446 1.509 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000487494744 827921448 /nfs/dbraw/zinc/92/14/48/827921448.db2.gz FCXBCXHILYAFMK-UHFFFAOYSA-N 1 2 367.446 1.509 20 5 FDBDLO COC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000450112849 829808758 /nfs/dbraw/zinc/80/87/58/829808758.db2.gz MXLXGUPLJLJULY-UHFFFAOYSA-N 1 2 358.354 1.996 20 5 FDBDLO CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000450132861 829824036 /nfs/dbraw/zinc/82/40/36/829824036.db2.gz JOPQIZUGFGOJOA-LBPRGKRZSA-N 1 2 357.370 1.473 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C2N=NC(=O)O2)CC1 ZINC000450920112 830194547 /nfs/dbraw/zinc/19/45/47/830194547.db2.gz SYHSMUIOWDUVHW-UHFFFAOYSA-N 1 2 361.358 1.810 20 5 FDBDLO COCC[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451884119 830461636 /nfs/dbraw/zinc/46/16/36/830461636.db2.gz CNVBGWYBRPUUDE-CQSZACIVSA-N 1 2 360.370 1.658 20 5 FDBDLO COC(=O)c1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1C ZINC000453571209 830954576 /nfs/dbraw/zinc/95/45/76/830954576.db2.gz BHMMTJFNKYXOIQ-UHFFFAOYSA-N 1 2 359.386 1.437 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000475757912 832025412 /nfs/dbraw/zinc/02/54/12/832025412.db2.gz HSXKBBIFNHMVFW-UHFFFAOYSA-N 1 2 361.377 1.862 20 5 FDBDLO O=C(NCc1ccnc2ccnn21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000479418478 844409970 /nfs/dbraw/zinc/40/99/70/844409970.db2.gz WQRNCHREUADLEV-UHFFFAOYSA-N 1 2 363.337 1.753 20 5 FDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000476379183 841194663 /nfs/dbraw/zinc/19/46/63/841194663.db2.gz PJRRBDAZKZXIRU-UHFFFAOYSA-N 1 2 356.342 1.856 20 5 FDBDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000898488653 844759344 /nfs/dbraw/zinc/75/93/44/844759344.db2.gz IIZIXDVKUNYABK-ZDUSSCGKSA-N 1 2 361.377 1.944 20 5 FDBDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000898488653 844759356 /nfs/dbraw/zinc/75/93/56/844759356.db2.gz IIZIXDVKUNYABK-ZDUSSCGKSA-N 1 2 361.377 1.944 20 5 FDBDLO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898501442 844787123 /nfs/dbraw/zinc/78/71/23/844787123.db2.gz GVLJAHUFUNDDND-LLVKDONJSA-N 1 2 356.373 1.964 20 5 FDBDLO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898501442 844787128 /nfs/dbraw/zinc/78/71/28/844787128.db2.gz GVLJAHUFUNDDND-LLVKDONJSA-N 1 2 356.373 1.964 20 5 FDBDLO Cn1cc([C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC[NH2+]2)cn1 ZINC000913466979 862159163 /nfs/dbraw/zinc/15/91/63/862159163.db2.gz GJBNPSMRGDGOES-HNNXBMFYSA-N 1 2 363.805 1.697 20 5 FDBDLO C/C(=C\C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C[NH+]1CCOCC1 ZINC000911472268 858647025 /nfs/dbraw/zinc/64/70/25/858647025.db2.gz GUJHNBXJTUNUED-IZZDOVSWSA-N 1 2 355.341 1.768 20 5 FDBDLO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H]3C[NH+]3CCOCC3)n2)c1 ZINC000173375368 865969247 /nfs/dbraw/zinc/96/92/47/865969247.db2.gz JBBOMVMRJGPDJE-KRWDZBQOSA-N 1 2 372.429 1.607 20 5 FDBDLO O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H]3C[NH+]3CCOCC3)n2)c1 ZINC000173375348 865969426 /nfs/dbraw/zinc/96/94/26/865969426.db2.gz JBBOMVMRJGPDJE-QGZVFWFLSA-N 1 2 372.429 1.607 20 5 FDBDLO CNc1nc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000456063832 866658223 /nfs/dbraw/zinc/65/82/23/866658223.db2.gz HYXGIEZNMWOPSH-AWEZNQCLSA-N 1 2 359.361 1.957 20 5 FDBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000457088206 867268557 /nfs/dbraw/zinc/26/85/57/867268557.db2.gz BZZXNIBNEGYMMR-AWEZNQCLSA-N 1 2 370.409 1.795 20 5 FDBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000457088206 867268567 /nfs/dbraw/zinc/26/85/67/867268567.db2.gz BZZXNIBNEGYMMR-AWEZNQCLSA-N 1 2 370.409 1.795 20 5 FDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC001005378127 883155025 /nfs/dbraw/zinc/15/50/25/883155025.db2.gz JGFKZAPRNXGFCM-ZIAGYGMSSA-N 1 2 352.822 1.823 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](Cc3ccncc3Cl)C2)CC1 ZINC001035704749 886331920 /nfs/dbraw/zinc/33/19/20/886331920.db2.gz WLIMEWDLBWLDLG-UKRRQHHQSA-N 1 2 364.833 1.825 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921323280 887652804 /nfs/dbraw/zinc/65/28/04/887652804.db2.gz FKXZROQYJMRFKM-GXTWGEPZSA-N 1 2 371.484 1.761 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921323280 887652812 /nfs/dbraw/zinc/65/28/12/887652812.db2.gz FKXZROQYJMRFKM-GXTWGEPZSA-N 1 2 371.484 1.761 20 5 FDBDLO CCOC(=O)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000741220893 925621438 /nfs/dbraw/zinc/62/14/38/925621438.db2.gz KBBQLDJRPJLRFI-OAHLLOKOSA-N 1 2 374.353 1.185 20 5 FDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000742284819 925999006 /nfs/dbraw/zinc/99/90/06/925999006.db2.gz YTBRSWGBGRSGFG-UHFFFAOYSA-N 1 2 359.367 1.654 20 5 FDBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000745083145 927055450 /nfs/dbraw/zinc/05/54/50/927055450.db2.gz UAIYCUMPHSOOKE-NSHDSACASA-N 1 2 365.342 1.290 20 5 FDBDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000745083145 927055464 /nfs/dbraw/zinc/05/54/64/927055464.db2.gz UAIYCUMPHSOOKE-NSHDSACASA-N 1 2 365.342 1.290 20 5 FDBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCn3c(COc4ccccn4)nnc3C2)C1 ZINC001169025668 928251602 /nfs/dbraw/zinc/25/16/02/928251602.db2.gz TZPYMQOGSMBOGW-KBPBESRZSA-N 1 2 358.402 1.513 20 5 FDBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCn3c(COc4ccccn4)nnc3C2)C1 ZINC001169025668 928251616 /nfs/dbraw/zinc/25/16/16/928251616.db2.gz TZPYMQOGSMBOGW-KBPBESRZSA-N 1 2 358.402 1.513 20 5 FDBDLO C[N@@H+]1CCOC[C@H]1CNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001169651378 928821894 /nfs/dbraw/zinc/82/18/94/928821894.db2.gz NLRXPSLGAXNXGX-CYBMUJFWSA-N 1 2 371.397 1.985 20 5 FDBDLO C[N@H+]1CCOC[C@H]1CNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001169651378 928821913 /nfs/dbraw/zinc/82/19/13/928821913.db2.gz NLRXPSLGAXNXGX-CYBMUJFWSA-N 1 2 371.397 1.985 20 5 FDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804334446 928848811 /nfs/dbraw/zinc/84/88/11/928848811.db2.gz GSGSTAHILXVDID-ZBEGNZNMSA-N 1 2 355.354 1.416 20 5 FDBDLO CC(C)CN1C[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000785875982 931628338 /nfs/dbraw/zinc/62/83/38/931628338.db2.gz DHHIHBSHCBCMSE-DLBZAZTESA-N 1 2 362.430 1.706 20 5 FDBDLO CC(C)CN1C[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000785875982 931628340 /nfs/dbraw/zinc/62/83/40/931628340.db2.gz DHHIHBSHCBCMSE-DLBZAZTESA-N 1 2 362.430 1.706 20 5 FDBDLO CN(C(=O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000788470562 932706967 /nfs/dbraw/zinc/70/69/67/932706967.db2.gz HRRHYJKVISVFRO-QGZVFWFLSA-N 1 2 373.413 1.726 20 5 FDBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000807281051 940295598 /nfs/dbraw/zinc/29/55/98/940295598.db2.gz QMUXNONXEZKRME-GFCCVEGCSA-N 1 2 362.342 1.080 20 5 FDBDLO CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000809973136 940931465 /nfs/dbraw/zinc/93/14/65/940931465.db2.gz JEEIGKBJLGMJSV-QGZVFWFLSA-N 1 2 366.418 1.624 20 5 FDBDLO CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000809973136 940931469 /nfs/dbraw/zinc/93/14/69/940931469.db2.gz JEEIGKBJLGMJSV-QGZVFWFLSA-N 1 2 366.418 1.624 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001133033493 941168337 /nfs/dbraw/zinc/16/83/37/941168337.db2.gz ZVBUIUBEPOIJSI-HNNXBMFYSA-N 1 2 354.370 1.854 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000747780861 941191927 /nfs/dbraw/zinc/19/19/27/941191927.db2.gz KKFJKEOJXVZXRI-INIZCTEOSA-N 1 2 372.381 1.985 20 5 FDBDLO COC1C[NH+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173695610 962585471 /nfs/dbraw/zinc/58/54/71/962585471.db2.gz HWYRRJHQLWQEOF-UHFFFAOYSA-N 1 2 355.416 1.079 20 5 FDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001183850033 963311102 /nfs/dbraw/zinc/31/11/02/963311102.db2.gz QIYGOQPUCLGZBJ-QWHCGFSZSA-N 1 2 370.429 1.377 20 5 FDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001183850033 963311112 /nfs/dbraw/zinc/31/11/12/963311112.db2.gz QIYGOQPUCLGZBJ-QWHCGFSZSA-N 1 2 370.429 1.377 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001176880437 963585017 /nfs/dbraw/zinc/58/50/17/963585017.db2.gz UWTVOAIOIRZORR-STQMWFEESA-N 1 2 358.402 1.930 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001176880437 963585021 /nfs/dbraw/zinc/58/50/21/963585021.db2.gz UWTVOAIOIRZORR-STQMWFEESA-N 1 2 358.402 1.930 20 5 FDBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000773852238 965246345 /nfs/dbraw/zinc/24/63/45/965246345.db2.gz LDTOZKKXDRBFDL-UHFFFAOYSA-N 1 2 359.386 1.137 20 5 FDBDLO COC(=O)NC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000852767221 967592583 /nfs/dbraw/zinc/59/25/83/967592583.db2.gz RUYTUMNVQOUXJM-HNNXBMFYSA-N 1 2 362.386 1.521 20 5 FDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)nc1-c1ccccn1 ZINC000853499380 968056339 /nfs/dbraw/zinc/05/63/39/968056339.db2.gz VPJYWGFSRBMJCZ-OAHLLOKOSA-N 1 2 372.429 1.607 20 5 FDBDLO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@H]2CN2CCOCC2)nc1-c1ccccn1 ZINC000853499380 968056348 /nfs/dbraw/zinc/05/63/48/968056348.db2.gz VPJYWGFSRBMJCZ-OAHLLOKOSA-N 1 2 372.429 1.607 20 5 FDBDLO 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FDBDLO COC[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)O1 ZINC000331612290 259207347 /nfs/dbraw/zinc/20/73/47/259207347.db2.gz FKEWNDMGCHXDSR-HOTGVXAUSA-N 1 2 363.414 1.826 20 5 FDBDLO COC[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)O1 ZINC000331612290 259207348 /nfs/dbraw/zinc/20/73/48/259207348.db2.gz FKEWNDMGCHXDSR-HOTGVXAUSA-N 1 2 363.414 1.826 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000332086157 259240381 /nfs/dbraw/zinc/24/03/81/259240381.db2.gz REVHGOHXKPCNOB-JTQLQIEISA-N 1 2 354.363 1.646 20 5 FDBDLO C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000361105347 259448992 /nfs/dbraw/zinc/44/89/92/259448992.db2.gz MHBULMVGYNQLLD-BBRMVZONSA-N 1 2 373.413 1.679 20 5 FDBDLO C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000361105347 259448993 /nfs/dbraw/zinc/44/89/93/259448993.db2.gz MHBULMVGYNQLLD-BBRMVZONSA-N 1 2 373.413 1.679 20 5 FDBDLO COc1cc[nH+]cc1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366609784 259952532 /nfs/dbraw/zinc/95/25/32/259952532.db2.gz DNJYLJKWQAEDHW-UHFFFAOYSA-N 1 2 360.374 1.742 20 5 FDBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367087706 259993283 /nfs/dbraw/zinc/99/32/83/259993283.db2.gz YZONCMFREYNBNT-OAHLLOKOSA-N 1 2 357.326 1.685 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000367156073 260003302 /nfs/dbraw/zinc/00/33/02/260003302.db2.gz JCWSZCFAZCZQRZ-CJNGLKHVSA-N 1 2 352.341 1.862 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000367156073 260003303 /nfs/dbraw/zinc/00/33/03/260003303.db2.gz JCWSZCFAZCZQRZ-CJNGLKHVSA-N 1 2 352.341 1.862 20 5 FDBDLO Cc1nn(CCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000367714305 260081382 /nfs/dbraw/zinc/08/13/82/260081382.db2.gz AFYTYNCVBGIOBO-DOMZBBRYSA-N 1 2 365.434 1.120 20 5 FDBDLO 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CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000368890823 260255782 /nfs/dbraw/zinc/25/57/82/260255782.db2.gz WQNZKIIHPIUOFJ-GFCCVEGCSA-N 1 2 360.374 1.471 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000368976811 260271334 /nfs/dbraw/zinc/27/13/34/260271334.db2.gz YYYMECBLCBDVGV-ZSGNIPIJSA-N 1 2 366.805 1.773 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000368976811 260271336 /nfs/dbraw/zinc/27/13/36/260271336.db2.gz YYYMECBLCBDVGV-ZSGNIPIJSA-N 1 2 366.805 1.773 20 5 FDBDLO COc1cc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000370448290 260549553 /nfs/dbraw/zinc/54/95/53/260549553.db2.gz DFNCSHANTGAJTA-CYBMUJFWSA-N 1 2 366.393 1.533 20 5 FDBDLO CCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000371059505 260651342 /nfs/dbraw/zinc/65/13/42/260651342.db2.gz ONJAIGIALSKXEW-GFCCVEGCSA-N 1 2 363.422 1.370 20 5 FDBDLO 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NHOARCHZSFFYES-OAHLLOKOSA-N 1 2 356.444 1.929 20 5 FDBDLO CCc1n[nH]c(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000171399829 525978403 /nfs/dbraw/zinc/97/84/03/525978403.db2.gz FQCWGXNEZZOWSQ-NSHDSACASA-N 1 2 374.401 1.430 20 5 FDBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000132910660 526003645 /nfs/dbraw/zinc/00/36/45/526003645.db2.gz KJHMMRYKXXYUIO-UHFFFAOYSA-N 1 2 366.324 1.605 20 5 FDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1cc(F)cc(F)c1 ZINC000132910660 526003653 /nfs/dbraw/zinc/00/36/53/526003653.db2.gz KJHMMRYKXXYUIO-UHFFFAOYSA-N 1 2 366.324 1.605 20 5 FDBDLO C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000171595435 526044907 /nfs/dbraw/zinc/04/49/07/526044907.db2.gz IDJNHAPNQHHESQ-KGLIPLIRSA-N 1 2 365.434 1.415 20 5 FDBDLO CCCc1n[nH]c(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000109428666 526127690 /nfs/dbraw/zinc/12/76/90/526127690.db2.gz VDMJWKXPVHRGTR-UHFFFAOYSA-N 1 2 355.358 1.781 20 5 FDBDLO 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549458775 /nfs/dbraw/zinc/45/87/75/549458775.db2.gz ACRKKEJCKMRDHW-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO Cc1cnccc1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570917849 549458779 /nfs/dbraw/zinc/45/87/79/549458779.db2.gz ACRKKEJCKMRDHW-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000576271970 550530427 /nfs/dbraw/zinc/53/04/27/550530427.db2.gz NFEPVUXWMIKLNN-LBPRGKRZSA-N 1 2 372.303 1.933 20 5 FDBDLO Cc1c(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000578215764 550740289 /nfs/dbraw/zinc/74/02/89/550740289.db2.gz JKENTZLDIPFEAH-BBRMVZONSA-N 1 2 362.430 1.908 20 5 FDBDLO CCn1cc[nH+]c1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000580962520 551037745 /nfs/dbraw/zinc/03/77/45/551037745.db2.gz QCXCKZYXBJHVIW-UHFFFAOYSA-N 1 2 365.777 1.511 20 5 FDBDLO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000581579481 551106870 /nfs/dbraw/zinc/10/68/70/551106870.db2.gz AAYQZOIJDSKISO-UHFFFAOYSA-N 1 2 374.397 1.956 20 5 FDBDLO CS(=O)(=O)c1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000581738122 551129967 /nfs/dbraw/zinc/12/99/67/551129967.db2.gz GVYMAZNYGVIXKX-UHFFFAOYSA-N 1 2 366.399 1.405 20 5 FDBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000583343264 551338168 /nfs/dbraw/zinc/33/81/68/551338168.db2.gz PJVWCMJVFKUYJD-UHFFFAOYSA-N 1 2 368.397 1.796 20 5 FDBDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000583570667 551371061 /nfs/dbraw/zinc/37/10/61/551371061.db2.gz DFWWEWPVFUAWEE-CYBMUJFWSA-N 1 2 357.370 1.665 20 5 FDBDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n1 ZINC000583570667 551371062 /nfs/dbraw/zinc/37/10/62/551371062.db2.gz DFWWEWPVFUAWEE-CYBMUJFWSA-N 1 2 357.370 1.665 20 5 FDBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000583679723 551386087 /nfs/dbraw/zinc/38/60/87/551386087.db2.gz JQQRUYZOUVWDCM-OAHLLOKOSA-N 1 2 353.375 1.719 20 5 FDBDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1)CCCC2 ZINC000585817044 551610995 /nfs/dbraw/zinc/61/09/95/551610995.db2.gz AVTWAQLFSHRCDQ-CYBMUJFWSA-N 1 2 359.390 1.162 20 5 FDBDLO Cn1ccnc1C(=O)c1ccc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000590567413 551793398 /nfs/dbraw/zinc/79/33/98/551793398.db2.gz BXBMFRMNFDVOPM-UHFFFAOYSA-N 1 2 352.354 1.845 20 5 FDBDLO COC(=O)c1ccnc(NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000590568835 551793477 /nfs/dbraw/zinc/79/34/77/551793477.db2.gz DFHKUVHQUHPYHD-CYBMUJFWSA-N 1 2 352.391 1.545 20 5 FDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCN3CCCS3(=O)=O)c2c1 ZINC000591144710 551846933 /nfs/dbraw/zinc/84/69/33/551846933.db2.gz XCATZJXIAMIAFW-UHFFFAOYSA-N 1 2 350.400 1.981 20 5 FDBDLO CCOC(=O)Cc1ccc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000591904452 551915154 /nfs/dbraw/zinc/91/51/54/551915154.db2.gz JKLSXJYJACJFKB-CYBMUJFWSA-N 1 2 351.403 1.833 20 5 FDBDLO CCOC(=O)Cc1ccc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000591904452 551915156 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COCCOCC[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000593886704 552217662 /nfs/dbraw/zinc/21/76/62/552217662.db2.gz NJEATQCSGORTAO-OAHLLOKOSA-N 1 2 365.430 1.506 20 5 FDBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000594508822 552326736 /nfs/dbraw/zinc/32/67/36/552326736.db2.gz CFBDWXXKVXAEHO-LLVKDONJSA-N 1 2 361.406 1.843 20 5 FDBDLO O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000594752889 552371171 /nfs/dbraw/zinc/37/11/71/552371171.db2.gz VFNITQRRWHHLBZ-UHFFFAOYSA-N 1 2 362.411 1.612 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595220157 552495702 /nfs/dbraw/zinc/49/57/02/552495702.db2.gz UIJYRNKNFZQCKU-SNVBAGLBSA-N 1 2 361.358 1.543 20 5 FDBDLO CO[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)[C@@H]1CCOC1 ZINC000595299590 552515769 /nfs/dbraw/zinc/51/57/69/552515769.db2.gz VJPXBJUXRHTQDX-OLZOCXBDSA-N 1 2 369.443 1.466 20 5 FDBDLO C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1[nH+]ccn1C ZINC000595382954 552543692 /nfs/dbraw/zinc/54/36/92/552543692.db2.gz MDPPCFGTGZYFCD-VIFPVBQESA-N 1 2 368.371 1.139 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595382885 552543721 /nfs/dbraw/zinc/54/37/21/552543721.db2.gz KEQWDGYRPRXORJ-SECBINFHSA-N 1 2 368.371 1.154 20 5 FDBDLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595415944 552555421 /nfs/dbraw/zinc/55/54/21/552555421.db2.gz SVDYXOSSUSRSHT-SECBINFHSA-N 1 2 354.388 1.650 20 5 FDBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1[N+](=O)[O-] ZINC000595415681 552555441 /nfs/dbraw/zinc/55/54/41/552555441.db2.gz RTSYUQZERCFCRG-JTQLQIEISA-N 1 2 368.415 1.992 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595738501 552609140 /nfs/dbraw/zinc/60/91/40/552609140.db2.gz JKEWQVHAJZIFAC-ZYHUDNBSSA-N 1 2 366.805 1.787 20 5 FDBDLO O=C(C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595738501 552609141 /nfs/dbraw/zinc/60/91/41/552609141.db2.gz JKEWQVHAJZIFAC-ZYHUDNBSSA-N 1 2 366.805 1.787 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000595823356 552619655 /nfs/dbraw/zinc/61/96/55/552619655.db2.gz IZYGFVDCHMSGJH-LBPRGKRZSA-N 1 2 354.382 1.930 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000595823356 552619656 /nfs/dbraw/zinc/61/96/56/552619656.db2.gz IZYGFVDCHMSGJH-LBPRGKRZSA-N 1 2 354.382 1.930 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595827012 552620424 /nfs/dbraw/zinc/62/04/24/552620424.db2.gz PYYXMASKBXNSDC-ZDUSSCGKSA-N 1 2 363.418 1.529 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595827012 552620426 /nfs/dbraw/zinc/62/04/26/552620426.db2.gz PYYXMASKBXNSDC-ZDUSSCGKSA-N 1 2 363.418 1.529 20 5 FDBDLO C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1[nH+]ccn1C ZINC000595845514 552622559 /nfs/dbraw/zinc/62/25/59/552622559.db2.gz 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Cc1cc(OCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000597706078 552824405 /nfs/dbraw/zinc/82/44/05/552824405.db2.gz CLGJZYVPMHGCMS-OAHLLOKOSA-N 1 2 363.414 1.605 20 5 FDBDLO Cc1cc(OCC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000597999409 552855307 /nfs/dbraw/zinc/85/53/07/552855307.db2.gz WJHMODMJLSVATB-ZIAGYGMSSA-N 1 2 351.403 1.507 20 5 FDBDLO Cc1cc(OCC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000597999409 552855308 /nfs/dbraw/zinc/85/53/08/552855308.db2.gz WJHMODMJLSVATB-ZIAGYGMSSA-N 1 2 351.403 1.507 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1[nH+]ccn1C ZINC000598466097 552899638 /nfs/dbraw/zinc/89/96/38/552899638.db2.gz WZXYHAIYDDPBBG-LBPRGKRZSA-N 1 2 359.386 1.656 20 5 FDBDLO Cc1cc(NCCNc2nccc(C(N)=O)c2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000599146950 552974783 /nfs/dbraw/zinc/97/47/83/552974783.db2.gz FLLBUMKEOYDFIT-UHFFFAOYSA-N 1 2 359.390 1.835 20 5 FDBDLO COC(=O)c1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000599325270 553027637 /nfs/dbraw/zinc/02/76/37/553027637.db2.gz BXMPOSWHQBFSEF-NSHDSACASA-N 1 2 358.358 1.253 20 5 FDBDLO COC(=O)c1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000599325270 553027638 /nfs/dbraw/zinc/02/76/38/553027638.db2.gz BXMPOSWHQBFSEF-NSHDSACASA-N 1 2 358.358 1.253 20 5 FDBDLO O=C(CN1CC[NH+](Cc2cn[nH]c2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599439329 553057064 /nfs/dbraw/zinc/05/70/64/553057064.db2.gz OITGQLAZJBJNGP-UHFFFAOYSA-N 1 2 370.413 1.025 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599499877 553074707 /nfs/dbraw/zinc/07/47/07/553074707.db2.gz MNVVYACCQMEYRC-UHFFFAOYSA-N 1 2 369.443 1.389 20 5 FDBDLO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000599538298 553082988 /nfs/dbraw/zinc/08/29/88/553082988.db2.gz XVTDEXSWRPZMQN-UHFFFAOYSA-N 1 2 369.443 1.474 20 5 FDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631764 553107719 /nfs/dbraw/zinc/10/77/19/553107719.db2.gz AGFYEXZJCIFQFS-VZJMEUIWSA-N 1 2 351.428 1.907 20 5 FDBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631764 553107722 /nfs/dbraw/zinc/10/77/22/553107722.db2.gz AGFYEXZJCIFQFS-VZJMEUIWSA-N 1 2 351.428 1.907 20 5 FDBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938503 553178525 /nfs/dbraw/zinc/17/85/25/553178525.db2.gz CCQQKOXGBOWTKA-CABCVRRESA-N 1 2 371.397 1.266 20 5 FDBDLO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599938503 553178526 /nfs/dbraw/zinc/17/85/26/553178526.db2.gz CCQQKOXGBOWTKA-CABCVRRESA-N 1 2 371.397 1.266 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600680767 553299084 /nfs/dbraw/zinc/29/90/84/553299084.db2.gz GTFVLZKAYXPPQL-SFHVURJKSA-N 1 2 370.409 1.550 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600680767 553299086 /nfs/dbraw/zinc/29/90/86/553299086.db2.gz GTFVLZKAYXPPQL-SFHVURJKSA-N 1 2 370.409 1.550 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600681988 553299385 /nfs/dbraw/zinc/29/93/85/553299385.db2.gz KZTUVNUOPVJQOH-KRWDZBQOSA-N 1 2 372.381 1.326 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600681988 553299386 /nfs/dbraw/zinc/29/93/86/553299386.db2.gz KZTUVNUOPVJQOH-KRWDZBQOSA-N 1 2 372.381 1.326 20 5 FDBDLO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1([NH+]2CCOCC2)CC1 ZINC000600940477 553328905 /nfs/dbraw/zinc/32/89/05/553328905.db2.gz XVXKPBGBUSWVJW-UHFFFAOYSA-N 1 2 360.414 1.108 20 5 FDBDLO C[C@@H]1C[N@@H+](CCN(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)O1 ZINC000601156271 553353928 /nfs/dbraw/zinc/35/39/28/553353928.db2.gz NGPBSJBIILRYCH-AOOOYVTPSA-N 1 2 365.356 1.893 20 5 FDBDLO C[C@@H]1C[N@H+](CCN(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)O1 ZINC000601156271 553353930 /nfs/dbraw/zinc/35/39/30/553353930.db2.gz NGPBSJBIILRYCH-AOOOYVTPSA-N 1 2 365.356 1.893 20 5 FDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164416 553354852 /nfs/dbraw/zinc/35/48/52/553354852.db2.gz COTBLGXFJZIHKJ-ZJUUUORDSA-N 1 2 363.340 1.647 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000601284133 553368457 /nfs/dbraw/zinc/36/84/57/553368457.db2.gz GVBLYBHDDVTFKC-UHFFFAOYSA-N 1 2 368.440 1.871 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601425096 553402326 /nfs/dbraw/zinc/40/23/26/553402326.db2.gz UCBPKUKUMBMGSD-HNNXBMFYSA-N 1 2 369.443 1.221 20 5 FDBDLO C[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601887262 553487219 /nfs/dbraw/zinc/48/72/19/553487219.db2.gz BECKCHQPZYJTFS-OAHLLOKOSA-N 1 2 369.425 1.875 20 5 FDBDLO COc1ccc(F)cc1C[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602431659 553580295 /nfs/dbraw/zinc/58/02/95/553580295.db2.gz IVNNOITZQNYWRP-UHFFFAOYSA-N 1 2 363.393 1.794 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000602756055 553631856 /nfs/dbraw/zinc/63/18/56/553631856.db2.gz JUOOHVVRMTVOGD-UHFFFAOYSA-N 1 2 361.377 1.697 20 5 FDBDLO COCC[N@H+](C)Cc1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603239969 553740036 /nfs/dbraw/zinc/74/00/36/553740036.db2.gz WHEUTGVDJSPJBH-UHFFFAOYSA-N 1 2 353.354 1.461 20 5 FDBDLO COCC[N@@H+](C)Cc1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603239969 553740039 /nfs/dbraw/zinc/74/00/39/553740039.db2.gz WHEUTGVDJSPJBH-UHFFFAOYSA-N 1 2 353.354 1.461 20 5 FDBDLO O=C1CC2(CN(c3ccc(Br)cc3[N+](=O)[O-])C2)[NH2+]CCN1 ZINC000603415942 553782997 /nfs/dbraw/zinc/78/29/97/553782997.db2.gz PAZLYOKEVBOFOT-UHFFFAOYSA-N 1 2 355.192 1.026 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000609193669 554347733 /nfs/dbraw/zinc/34/77/33/554347733.db2.gz RYKHLEMJFCYEKJ-UHFFFAOYSA-N 1 2 364.446 1.588 20 5 FDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000610211887 554474103 /nfs/dbraw/zinc/47/41/03/554474103.db2.gz GFBFNLOBUGJKLF-UHFFFAOYSA-N 1 2 373.394 1.713 20 5 FDBDLO COc1ccccc1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610447607 554508250 /nfs/dbraw/zinc/50/82/50/554508250.db2.gz UYTMDYJBKMRWAS-UHFFFAOYSA-N 1 2 359.386 1.258 20 5 FDBDLO COc1ccc(C)cc1CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610484872 554517242 /nfs/dbraw/zinc/51/72/42/554517242.db2.gz VYVVFVMHIZLCET-UHFFFAOYSA-N 1 2 359.430 1.926 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000611254731 554619990 /nfs/dbraw/zinc/61/99/90/554619990.db2.gz WGDNCHMRNCPYIQ-GFCCVEGCSA-N 1 2 373.431 1.126 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])cc1OC ZINC000611254731 554619992 /nfs/dbraw/zinc/61/99/92/554619992.db2.gz WGDNCHMRNCPYIQ-GFCCVEGCSA-N 1 2 373.431 1.126 20 5 FDBDLO CNC(=O)[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615996178 555262398 /nfs/dbraw/zinc/26/23/98/555262398.db2.gz SLQHLSZKCXUUEW-HNNXBMFYSA-N 1 2 362.430 1.389 20 5 FDBDLO CCCCNC(=O)C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618581350 555653485 /nfs/dbraw/zinc/65/34/85/555653485.db2.gz FFOVBSPGJNUTAO-UHFFFAOYSA-N 1 2 360.418 1.509 20 5 FDBDLO COc1c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000619435929 555776202 /nfs/dbraw/zinc/77/62/02/555776202.db2.gz PDAKKIDNZVSBMK-CQSZACIVSA-N 1 2 363.414 1.930 20 5 FDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464680746 568254736 /nfs/dbraw/zinc/25/47/36/568254736.db2.gz AAGACNBNCUIWLB-LLVKDONJSA-N 1 2 361.395 1.256 20 5 FDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464680746 568254737 /nfs/dbraw/zinc/25/47/37/568254737.db2.gz AAGACNBNCUIWLB-LLVKDONJSA-N 1 2 361.395 1.256 20 5 FDBDLO O=[N+]([O-])c1cc(N2CC[NH+](Cc3ccccn3)CC2)ccc1-c1nn[nH]n1 ZINC000823634693 607345840 /nfs/dbraw/zinc/34/58/40/607345840.db2.gz KCFOABUVBJAXOA-UHFFFAOYSA-N 1 2 366.385 1.492 20 5 FDBDLO COC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273400512 674533123 /nfs/dbraw/zinc/53/31/23/674533123.db2.gz WDVSDGWHIFAEOH-OAHLLOKOSA-N 1 2 356.400 1.254 20 5 FDBDLO COC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273400512 674533125 /nfs/dbraw/zinc/53/31/25/674533125.db2.gz WDVSDGWHIFAEOH-OAHLLOKOSA-N 1 2 356.400 1.254 20 5 FDBDLO CC[C@H](C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066854683 671346926 /nfs/dbraw/zinc/34/69/26/671346926.db2.gz WQADCEKJIRAWFH-GFCCVEGCSA-N 1 2 360.336 2.000 20 5 FDBDLO COc1cc(CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000261856551 672683912 /nfs/dbraw/zinc/68/39/12/672683912.db2.gz AAEPDNRYOPLKPX-JTQLQIEISA-N 1 2 359.329 1.268 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000267015162 673234623 /nfs/dbraw/zinc/23/46/23/673234623.db2.gz IWHXTTUQTRVGCD-UHFFFAOYSA-N 1 2 357.432 1.507 20 5 FDBDLO CC(C)(C(N)=O)[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267424668 673302447 /nfs/dbraw/zinc/30/24/47/673302447.db2.gz ANVWSWHIFRMHOE-UHFFFAOYSA-N 1 2 350.419 1.245 20 5 FDBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281444703 675519920 /nfs/dbraw/zinc/51/99/20/675519920.db2.gz CXLJZQHIFTWHBE-RYUDHWBXSA-N 1 2 357.357 1.600 20 5 FDBDLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281444703 675519921 /nfs/dbraw/zinc/51/99/21/675519921.db2.gz CXLJZQHIFTWHBE-RYUDHWBXSA-N 1 2 357.357 1.600 20 5 FDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000292814036 676316895 /nfs/dbraw/zinc/31/68/95/676316895.db2.gz VLRZGHGWOZNFEZ-NSHDSACASA-N 1 2 352.366 1.253 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416663821 679710122 /nfs/dbraw/zinc/71/01/22/679710122.db2.gz MJDBNHYWVBIREL-KGLIPLIRSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416663821 679710125 /nfs/dbraw/zinc/71/01/25/679710125.db2.gz MJDBNHYWVBIREL-KGLIPLIRSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362719179 676922914 /nfs/dbraw/zinc/92/29/14/676922914.db2.gz GTKZFJGUSCXOJM-UONOGXRCSA-N 1 2 369.443 1.435 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362719179 676922915 /nfs/dbraw/zinc/92/29/15/676922915.db2.gz GTKZFJGUSCXOJM-UONOGXRCSA-N 1 2 369.443 1.435 20 5 FDBDLO Cc1nn(C)c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)c1[N+](=O)[O-] ZINC000364401140 677013558 /nfs/dbraw/zinc/01/35/58/677013558.db2.gz DUJGBIRLERDFRI-UHFFFAOYSA-N 1 2 351.407 1.012 20 5 FDBDLO CCc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000365578526 677364710 /nfs/dbraw/zinc/36/47/10/677364710.db2.gz KOLFGXGYFXHHTH-OLZOCXBDSA-N 1 2 351.407 1.254 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000372622760 677949251 /nfs/dbraw/zinc/94/92/51/677949251.db2.gz 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C[C@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870061666 985575202 /nfs/dbraw/zinc/57/52/02/985575202.db2.gz BYSWTJWKRPKEJD-YOEHRIQHSA-N 1 2 363.414 1.258 20 5 FDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000365633691 987934530 /nfs/dbraw/zinc/93/45/30/987934530.db2.gz LRMLUYNNTXABMG-UHFFFAOYSA-N 1 2 373.413 1.732 20 5 FDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)no1 ZINC000364664540 989707036 /nfs/dbraw/zinc/70/70/36/989707036.db2.gz QEGAGCSLCJTNNU-CYBMUJFWSA-N 1 2 363.422 1.819 20 5 FDBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)no1 ZINC000364664540 989707046 /nfs/dbraw/zinc/70/70/46/989707046.db2.gz QEGAGCSLCJTNNU-CYBMUJFWSA-N 1 2 363.422 1.819 20 5 FDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000874705937 990468199 /nfs/dbraw/zinc/46/81/99/990468199.db2.gz IMSGSSDALZBRAD-CQSZACIVSA-N 1 2 351.403 1.752 20 5 FDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 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LLYZVWFTKREZEN-GFCCVEGCSA-N 1 2 353.766 1.243 20 5 FDBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000935842601 1006062123 /nfs/dbraw/zinc/06/21/23/1006062123.db2.gz JNDLHZOJYDKLGU-ZDUSSCGKSA-N 1 2 366.849 1.687 20 5 FDBDLO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000935842601 1006062126 /nfs/dbraw/zinc/06/21/26/1006062126.db2.gz JNDLHZOJYDKLGU-ZDUSSCGKSA-N 1 2 366.849 1.687 20 5 FDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCc2cccc(OC)c2)C1 ZINC000950055678 1008701565 /nfs/dbraw/zinc/70/15/65/1008701565.db2.gz KRTVMQYRMXXEEH-QZTJIDSGSA-N 1 2 361.442 1.826 20 5 FDBDLO COc1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000191293486 178050024 /nfs/dbraw/zinc/05/00/24/178050024.db2.gz COKNVHWJJXLAAD-QWHCGFSZSA-N 1 2 351.403 1.751 20 5 FDBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000191996847 178081124 /nfs/dbraw/zinc/08/11/24/178081124.db2.gz PMVPTGXFKJXBQT-CQSZACIVSA-N 1 2 371.459 1.289 20 5 FDBDLO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000193377934 178160176 /nfs/dbraw/zinc/16/01/76/178160176.db2.gz CPWMWRYCVZIOND-UHFFFAOYSA-N 1 2 361.446 1.702 20 5 FDBDLO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000193929527 178189688 /nfs/dbraw/zinc/18/96/88/178189688.db2.gz CTIHDIHUERQLRS-ZDUSSCGKSA-N 1 2 369.443 1.469 20 5 FDBDLO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000193929527 178189690 /nfs/dbraw/zinc/18/96/90/178189690.db2.gz CTIHDIHUERQLRS-ZDUSSCGKSA-N 1 2 369.443 1.469 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000193983834 178191893 /nfs/dbraw/zinc/19/18/93/178191893.db2.gz UNXGSJOTBPGNKY-UONOGXRCSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000193983834 178191895 /nfs/dbraw/zinc/19/18/95/178191895.db2.gz UNXGSJOTBPGNKY-UONOGXRCSA-N 1 2 371.459 1.287 20 5 FDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000194727471 178222064 /nfs/dbraw/zinc/22/20/64/178222064.db2.gz PSMXPZZDQDBBRI-TXEJJXNPSA-N 1 2 361.402 1.652 20 5 FDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000194727471 178222065 /nfs/dbraw/zinc/22/20/65/178222065.db2.gz PSMXPZZDQDBBRI-TXEJJXNPSA-N 1 2 361.402 1.652 20 5 FDBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000194727471 178222066 /nfs/dbraw/zinc/22/20/66/178222066.db2.gz PSMXPZZDQDBBRI-TXEJJXNPSA-N 1 2 361.402 1.652 20 5 FDBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000194727471 178222067 /nfs/dbraw/zinc/22/20/67/178222067.db2.gz PSMXPZZDQDBBRI-TXEJJXNPSA-N 1 2 361.402 1.652 20 5 FDBDLO O=C1[C@@H]([N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245440090 178358190 /nfs/dbraw/zinc/35/81/90/178358190.db2.gz UDWJYBDELYBCDG-JSGCOSHPSA-N 1 2 359.304 1.699 20 5 FDBDLO O=C1[C@@H]([N@H+]2CC[C@@](O)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000245440090 178358194 /nfs/dbraw/zinc/35/81/94/178358194.db2.gz UDWJYBDELYBCDG-JSGCOSHPSA-N 1 2 359.304 1.699 20 5 FDBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000524710760 539657664 /nfs/dbraw/zinc/65/76/64/539657664.db2.gz QRKZDNCZQVESAL-CHWSQXEVSA-N 1 2 353.444 1.912 20 5 FDBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000524710760 539657668 /nfs/dbraw/zinc/65/76/68/539657668.db2.gz QRKZDNCZQVESAL-CHWSQXEVSA-N 1 2 353.444 1.912 20 5 FDBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000268218112 180027239 /nfs/dbraw/zinc/02/72/39/180027239.db2.gz BTWOVCXYALDQPC-BXUZGUMPSA-N 1 2 365.415 1.526 20 5 FDBDLO CCOC(=O)c1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000268231660 180031222 /nfs/dbraw/zinc/03/12/22/180031222.db2.gz VHXYEVFDXLICSJ-UHFFFAOYSA-N 1 2 364.402 1.157 20 5 FDBDLO Cc1nc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000268493173 180095634 /nfs/dbraw/zinc/09/56/34/180095634.db2.gz OHSXFZVXLCJNMZ-CQSZACIVSA-N 1 2 361.446 1.821 20 5 FDBDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268524424 180105457 /nfs/dbraw/zinc/10/54/57/180105457.db2.gz XMGRINFEBKYDOB-ZDUSSCGKSA-N 1 2 358.402 1.864 20 5 FDBDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268524424 180105460 /nfs/dbraw/zinc/10/54/60/180105460.db2.gz XMGRINFEBKYDOB-ZDUSSCGKSA-N 1 2 358.402 1.864 20 5 FDBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268524424 180105461 /nfs/dbraw/zinc/10/54/61/180105461.db2.gz XMGRINFEBKYDOB-ZDUSSCGKSA-N 1 2 358.402 1.864 20 5 FDBDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268524424 180105463 /nfs/dbraw/zinc/10/54/63/180105463.db2.gz XMGRINFEBKYDOB-ZDUSSCGKSA-N 1 2 358.402 1.864 20 5 FDBDLO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000530666355 540018633 /nfs/dbraw/zinc/01/86/33/540018633.db2.gz RLXDIDPFAPVVQR-UHFFFAOYSA-N 1 2 373.413 1.380 20 5 FDBDLO COc1ccc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000274824195 181172065 /nfs/dbraw/zinc/17/20/65/181172065.db2.gz QHIBCWOFNHOYON-UHFFFAOYSA-N 1 2 372.385 1.284 20 5 FDBDLO COc1ccc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000274824195 181172066 /nfs/dbraw/zinc/17/20/66/181172066.db2.gz QHIBCWOFNHOYON-UHFFFAOYSA-N 1 2 372.385 1.284 20 5 FDBDLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000533260401 540221698 /nfs/dbraw/zinc/22/16/98/540221698.db2.gz QQVOQIUQGSEEEQ-MNOVXSKESA-N 1 2 351.359 1.425 20 5 FDBDLO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000533260401 540221700 /nfs/dbraw/zinc/22/17/00/540221700.db2.gz QQVOQIUQGSEEEQ-MNOVXSKESA-N 1 2 351.359 1.425 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000534196187 540333859 /nfs/dbraw/zinc/33/38/59/540333859.db2.gz XQLSWQFFZCCNBM-LBPRGKRZSA-N 1 2 369.443 1.996 20 5 FDBDLO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-n2cc[nH+]c2)nn1 ZINC000536253932 540571804 /nfs/dbraw/zinc/57/18/04/540571804.db2.gz WAIZCXQUEPSVOW-UHFFFAOYSA-N 1 2 350.298 1.699 20 5 FDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000538087642 540807491 /nfs/dbraw/zinc/80/74/91/540807491.db2.gz FGINPEDMFHFIAV-NSHDSACASA-N 1 2 353.404 1.542 20 5 FDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000538852083 540900523 /nfs/dbraw/zinc/90/05/23/540900523.db2.gz RTVYDUCQDHJPIM-QWRGUYRKSA-N 1 2 371.415 1.079 20 5 FDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000538852083 540900525 /nfs/dbraw/zinc/90/05/25/540900525.db2.gz RTVYDUCQDHJPIM-QWRGUYRKSA-N 1 2 371.415 1.079 20 5 FDBDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000543087395 541532464 /nfs/dbraw/zinc/53/24/64/541532464.db2.gz QVMKZKCFHLXKKJ-CQSZACIVSA-N 1 2 357.370 1.249 20 5 FDBDLO Cn1cc(C[NH2+]Cc2cc(C(N)=O)no2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543620434 541622807 /nfs/dbraw/zinc/62/28/07/541622807.db2.gz NCCWENRGQXXCOW-UHFFFAOYSA-N 1 2 356.342 1.372 20 5 FDBDLO CCOC(=O)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000543868381 541674811 /nfs/dbraw/zinc/67/48/11/541674811.db2.gz MTIDPKNEJATUME-CZUORRHYSA-N 1 2 352.387 1.922 20 5 FDBDLO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282440700 182012188 /nfs/dbraw/zinc/01/21/88/182012188.db2.gz IBHYPFBYOMBFEG-CQSZACIVSA-N 1 2 362.386 1.027 20 5 FDBDLO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282440700 182012190 /nfs/dbraw/zinc/01/21/90/182012190.db2.gz IBHYPFBYOMBFEG-CQSZACIVSA-N 1 2 362.386 1.027 20 5 FDBDLO CC1CC[NH+](CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000282869012 182068946 /nfs/dbraw/zinc/06/89/46/182068946.db2.gz RKAOBPDFPRXYHI-UHFFFAOYSA-N 1 2 369.443 1.460 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000283279820 182147410 /nfs/dbraw/zinc/14/74/10/182147410.db2.gz UFLKNOMRHUXVNF-ZDUSSCGKSA-N 1 2 351.403 1.786 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000283878702 182301561 /nfs/dbraw/zinc/30/15/61/182301561.db2.gz IFNIORPULYKACB-GUYCJALGSA-N 1 2 363.414 1.786 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000546211569 542125213 /nfs/dbraw/zinc/12/52/13/542125213.db2.gz RUTSFZDOXYFHRA-BBRMVZONSA-N 1 2 373.413 1.236 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000546211569 542125217 /nfs/dbraw/zinc/12/52/17/542125217.db2.gz RUTSFZDOXYFHRA-BBRMVZONSA-N 1 2 373.413 1.236 20 5 FDBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc2c1OCO2 ZINC000546504377 542156557 /nfs/dbraw/zinc/15/65/57/542156557.db2.gz YZBDYZCJURJTBU-CYBMUJFWSA-N 1 2 360.326 1.909 20 5 FDBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc2c1OCO2 ZINC000546504377 542156561 /nfs/dbraw/zinc/15/65/61/542156561.db2.gz YZBDYZCJURJTBU-CYBMUJFWSA-N 1 2 360.326 1.909 20 5 FDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286411562 183059783 /nfs/dbraw/zinc/05/97/83/183059783.db2.gz QHVVMYYIEFCKEB-BBRMVZONSA-N 1 2 374.441 1.786 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286545601 183093084 /nfs/dbraw/zinc/09/30/84/183093084.db2.gz OXOJGYXMPNSAPZ-CQSZACIVSA-N 1 2 350.419 1.499 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000286550235 183093734 /nfs/dbraw/zinc/09/37/34/183093734.db2.gz XGOYJLFQILYRDJ-LSDHHAIUSA-N 1 2 374.401 1.086 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000286550235 183093735 /nfs/dbraw/zinc/09/37/35/183093735.db2.gz XGOYJLFQILYRDJ-LSDHHAIUSA-N 1 2 374.401 1.086 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286636695 183115993 /nfs/dbraw/zinc/11/59/93/183115993.db2.gz DAUQCJUNWZKCDS-IAQYHMDHSA-N 1 2 364.358 1.438 20 5 FDBDLO Cn1cc[nH+]c1CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000286872312 183163847 /nfs/dbraw/zinc/16/38/47/183163847.db2.gz NMZPWMNAXNKPNG-UHFFFAOYSA-N 1 2 357.370 1.136 20 5 FDBDLO CC(C)(CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCS(=O)CC1 ZINC000287347085 183269779 /nfs/dbraw/zinc/26/97/79/183269779.db2.gz PFQXETHKXFKIHJ-UHFFFAOYSA-N 1 2 369.472 1.854 20 5 FDBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCC[NH+]1CCOCC1 ZINC000294469569 183979407 /nfs/dbraw/zinc/97/94/07/183979407.db2.gz MBWPMHZBAUEMLB-UHFFFAOYSA-N 1 2 363.414 1.786 20 5 FDBDLO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294841956 184013205 /nfs/dbraw/zinc/01/32/05/184013205.db2.gz BHMGYRMRTDJWOY-JTQLQIEISA-N 1 2 359.473 1.980 20 5 FDBDLO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000294841956 184013206 /nfs/dbraw/zinc/01/32/06/184013206.db2.gz BHMGYRMRTDJWOY-JTQLQIEISA-N 1 2 359.473 1.980 20 5 FDBDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000294796888 184009451 /nfs/dbraw/zinc/00/94/51/184009451.db2.gz MLCAMYIABCJUJY-DEOSSOPVSA-N 1 2 354.428 1.871 20 5 FDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295015921 184027293 /nfs/dbraw/zinc/02/72/93/184027293.db2.gz TXCZQFUISDLBCS-LBPRGKRZSA-N 1 2 357.432 1.257 20 5 FDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295015921 184027295 /nfs/dbraw/zinc/02/72/95/184027295.db2.gz TXCZQFUISDLBCS-LBPRGKRZSA-N 1 2 357.432 1.257 20 5 FDBDLO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000295364095 184062592 /nfs/dbraw/zinc/06/25/92/184062592.db2.gz SBHIDMJKAQRSIV-NWDGAFQWSA-N 1 2 367.377 1.678 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547269092 542292677 /nfs/dbraw/zinc/29/26/77/542292677.db2.gz 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1 2 365.386 1.678 20 5 FDBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])n2C)cn1 ZINC000572008409 549822646 /nfs/dbraw/zinc/82/26/46/549822646.db2.gz WJCXDAIWJOFPSK-UHFFFAOYSA-N 1 2 357.374 1.206 20 5 FDBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000573422643 550133272 /nfs/dbraw/zinc/13/32/72/550133272.db2.gz KVWHSUBVBFIHAQ-IYBDPMFKSA-N 1 2 364.402 1.136 20 5 FDBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000573422643 550133274 /nfs/dbraw/zinc/13/32/74/550133274.db2.gz KVWHSUBVBFIHAQ-IYBDPMFKSA-N 1 2 364.402 1.136 20 5 FDBDLO CSC1(C[NH+]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000574366638 550302523 /nfs/dbraw/zinc/30/25/23/550302523.db2.gz VATHBJKSZIMOEJ-UHFFFAOYSA-N 1 2 371.484 1.797 20 5 FDBDLO CCc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000574396522 550307828 /nfs/dbraw/zinc/30/78/28/550307828.db2.gz XIMUTZPQWRXXAL-CYBMUJFWSA-N 1 2 371.459 1.404 20 5 FDBDLO C[C@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575229654 550447158 /nfs/dbraw/zinc/44/71/58/550447158.db2.gz GFASGLLQDXOHPF-AWEZNQCLSA-N 1 2 357.414 1.776 20 5 FDBDLO CC(C)Oc1nc(N2CC[NH+](CC(=O)NC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000576172747 550519391 /nfs/dbraw/zinc/51/93/91/550519391.db2.gz XDQFZZNODGKUTB-UHFFFAOYSA-N 1 2 363.418 1.178 20 5 FDBDLO O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)CCC[NH+]1CCOCC1)C2 ZINC000578707446 550792250 /nfs/dbraw/zinc/79/22/50/550792250.db2.gz JTWMICKPAJFNMU-UHFFFAOYSA-N 1 2 369.443 1.005 20 5 FDBDLO O=C1N=NCN1C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000578838511 550806618 /nfs/dbraw/zinc/80/66/18/550806618.db2.gz DBVVVSWYWZIBBB-UHFFFAOYSA-N 1 2 371.357 1.779 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000581302763 551073915 /nfs/dbraw/zinc/07/39/15/551073915.db2.gz MDLABXNCZHWVJF-WCQYABFASA-N 1 2 369.368 1.737 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000582227729 551193080 /nfs/dbraw/zinc/19/30/80/551193080.db2.gz OLIIJWLFMLCXDR-UHFFFAOYSA-N 1 2 369.443 1.206 20 5 FDBDLO COc1cc(C[NH+]2CC(C)(C(N)=O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000582724292 551259748 /nfs/dbraw/zinc/25/97/48/551259748.db2.gz LDCPFADRRBNUQI-UHFFFAOYSA-N 1 2 359.329 1.555 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000582893298 551278119 /nfs/dbraw/zinc/27/81/19/551278119.db2.gz KBLMMSCFKXYHEX-HNNXBMFYSA-N 1 2 363.414 1.548 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587036192 551629635 /nfs/dbraw/zinc/62/96/35/551629635.db2.gz NECZXDQLMRRJGP-LBPRGKRZSA-N 1 2 367.365 1.850 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587051779 551629809 /nfs/dbraw/zinc/62/98/09/551629809.db2.gz VKWYLTUCOSCXRO-DGCLKSJQSA-N 1 2 357.370 1.041 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587051780 551629868 /nfs/dbraw/zinc/62/98/68/551629868.db2.gz VKWYLTUCOSCXRO-WCQYABFASA-N 1 2 357.370 1.041 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000589410953 551728215 /nfs/dbraw/zinc/72/82/15/551728215.db2.gz PXEFGMADDFTZPE-UHFFFAOYSA-N 1 2 357.370 1.643 20 5 FDBDLO Cc1cc(=O)c(C(=O)NCc2c[nH+]cn2C)nn1-c1ccccc1[N+](=O)[O-] ZINC000589466418 551732262 /nfs/dbraw/zinc/73/22/62/551732262.db2.gz PIUASOHQQJRGOQ-UHFFFAOYSA-N 1 2 368.353 1.113 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000589515516 551734645 /nfs/dbraw/zinc/73/46/45/551734645.db2.gz BRSFNIMUMDYFPX-PXAZEXFGSA-N 1 2 350.371 1.761 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000589515516 551734646 /nfs/dbraw/zinc/73/46/46/551734646.db2.gz BRSFNIMUMDYFPX-PXAZEXFGSA-N 1 2 350.371 1.761 20 5 FDBDLO O=C(CCCn1cc[nH+]c1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590529852 551789217 /nfs/dbraw/zinc/78/92/17/551789217.db2.gz PQNDJLGWFMTPJP-UHFFFAOYSA-N 1 2 371.397 1.556 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000590742939 551810267 /nfs/dbraw/zinc/81/02/67/551810267.db2.gz IZDWIPLRIQXLOX-UHFFFAOYSA-N 1 2 369.403 1.162 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H](O)CC(F)(F)C1 ZINC000590744929 551810434 /nfs/dbraw/zinc/81/04/34/551810434.db2.gz DWRGQEXUTAEKEB-NSHDSACASA-N 1 2 352.297 1.623 20 5 FDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591311349 551860645 /nfs/dbraw/zinc/86/06/45/551860645.db2.gz BJQUNYIXXDEXDG-UHFFFAOYSA-N 1 2 365.386 1.207 20 5 FDBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@]1(O)CCOC1 ZINC000592880120 552038722 /nfs/dbraw/zinc/03/87/22/552038722.db2.gz NEQHNBRBLGYAOV-SFHVURJKSA-N 1 2 374.397 1.688 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000593115602 552064411 /nfs/dbraw/zinc/06/44/11/552064411.db2.gz ICNUGYWRLYLRGK-GDBMZVCRSA-N 1 2 352.387 1.860 20 5 FDBDLO COc1ccc(OCC[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000593115602 552064412 /nfs/dbraw/zinc/06/44/12/552064412.db2.gz ICNUGYWRLYLRGK-GDBMZVCRSA-N 1 2 352.387 1.860 20 5 FDBDLO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593190295 552071350 /nfs/dbraw/zinc/07/13/50/552071350.db2.gz IKUNKSSPNAGAGP-IJLUTSLNSA-N 1 2 369.443 1.551 20 5 FDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593190295 552071351 /nfs/dbraw/zinc/07/13/51/552071351.db2.gz IKUNKSSPNAGAGP-IJLUTSLNSA-N 1 2 369.443 1.551 20 5 FDBDLO CCc1cc(NCC[C@]2(O)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593494465 552117368 /nfs/dbraw/zinc/11/73/68/552117368.db2.gz FLKZVLPRGFICHW-SFHVURJKSA-N 1 2 358.398 1.990 20 5 FDBDLO Cc1c[nH+]c(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C)c1 ZINC000594594998 552338952 /nfs/dbraw/zinc/33/89/52/552338952.db2.gz FALWKWKYBHHYJA-UHFFFAOYSA-N 1 2 350.400 1.909 20 5 FDBDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000594741666 552367889 /nfs/dbraw/zinc/36/78/89/552367889.db2.gz DPLJKKIIRJCVEH-VXGBXAGGSA-N 1 2 372.447 1.156 20 5 FDBDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594965347 552427797 /nfs/dbraw/zinc/42/77/97/552427797.db2.gz FIADUEGTTUFKPG-HOCLYGCPSA-N 1 2 366.395 1.756 20 5 FDBDLO COCc1n[nH]c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594970344 552428493 /nfs/dbraw/zinc/42/84/93/552428493.db2.gz YRJKVZJDTMPLGR-UHFFFAOYSA-N 1 2 357.374 1.550 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000595504305 552573700 /nfs/dbraw/zinc/57/37/00/552573700.db2.gz BNVYDIZMCGHZRE-CQSZACIVSA-N 1 2 355.341 1.777 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000595888182 552628847 /nfs/dbraw/zinc/62/88/47/552628847.db2.gz CQMCHQZPHSBEQQ-OCCSQVGLSA-N 1 2 364.320 1.988 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000595888182 552628848 /nfs/dbraw/zinc/62/88/48/552628848.db2.gz CQMCHQZPHSBEQQ-OCCSQVGLSA-N 1 2 364.320 1.988 20 5 FDBDLO CCOC(=O)c1ccnc(N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596246816 552668193 /nfs/dbraw/zinc/66/81/93/552668193.db2.gz HPZZEKRAGMESBU-ZDUSSCGKSA-N 1 2 364.402 1.468 20 5 FDBDLO CO[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000596319304 552674188 /nfs/dbraw/zinc/67/41/88/552674188.db2.gz WMMQSTWJXUKHDQ-QAPCUYQASA-N 1 2 365.430 1.890 20 5 FDBDLO CCOC(=O)c1ccnc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596430372 552678382 /nfs/dbraw/zinc/67/83/82/552678382.db2.gz MDIUYTBBMNMXNR-VXGBXAGGSA-N 1 2 352.391 1.688 20 5 FDBDLO CCOC(=O)c1ccnc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596430372 552678383 /nfs/dbraw/zinc/67/83/83/552678383.db2.gz MDIUYTBBMNMXNR-VXGBXAGGSA-N 1 2 352.391 1.688 20 5 FDBDLO CNC(=O)c1ccc(N(CC[NH+]2CCOCC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000596518522 552685796 /nfs/dbraw/zinc/68/57/96/552685796.db2.gz VREGHQINMFUCJC-UHFFFAOYSA-N 1 2 362.430 1.503 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000597134620 552751310 /nfs/dbraw/zinc/75/13/10/552751310.db2.gz JABLOHWWEGCQQG-UHFFFAOYSA-N 1 2 355.398 1.696 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)CO1 ZINC000597995612 552854575 /nfs/dbraw/zinc/85/45/75/552854575.db2.gz MGOMDWXGYZRGDM-WDEREUQCSA-N 1 2 351.359 1.163 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)CO1 ZINC000597995612 552854576 /nfs/dbraw/zinc/85/45/76/552854576.db2.gz MGOMDWXGYZRGDM-WDEREUQCSA-N 1 2 351.359 1.163 20 5 FDBDLO COc1cc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000597996393 552854778 /nfs/dbraw/zinc/85/47/78/552854778.db2.gz IYFVEOIKSIBQDO-VXGBXAGGSA-N 1 2 367.402 1.451 20 5 FDBDLO COc1cc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000597996393 552854779 /nfs/dbraw/zinc/85/47/79/552854779.db2.gz IYFVEOIKSIBQDO-VXGBXAGGSA-N 1 2 367.402 1.451 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)CO1 ZINC000598001287 552855864 /nfs/dbraw/zinc/85/58/64/552855864.db2.gz YVRLHHWDAJEZIK-CHWSQXEVSA-N 1 2 360.414 1.844 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)CO1 ZINC000598001287 552855866 /nfs/dbraw/zinc/85/58/66/552855866.db2.gz YVRLHHWDAJEZIK-CHWSQXEVSA-N 1 2 360.414 1.844 20 5 FDBDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598602425 552913803 /nfs/dbraw/zinc/91/38/03/552913803.db2.gz ANUNUNWVUGQXNN-AWEZNQCLSA-N 1 2 371.459 1.289 20 5 FDBDLO COC(=O)c1ccnc(N2CCN(c3c[nH+]ccc3C)CC2)c1[N+](=O)[O-] ZINC000598626392 552917833 /nfs/dbraw/zinc/91/78/33/552917833.db2.gz VFRVBIXWJOWPAL-UHFFFAOYSA-N 1 2 357.370 1.806 20 5 FDBDLO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944739 552949763 /nfs/dbraw/zinc/94/97/63/552949763.db2.gz UOAAAQVXYSABHS-LLVKDONJSA-N 1 2 362.411 1.885 20 5 FDBDLO CCOC(=O)c1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1 ZINC000598951145 552950896 /nfs/dbraw/zinc/95/08/96/552950896.db2.gz XFTVBQWWPZDFRI-CYBMUJFWSA-N 1 2 358.354 1.713 20 5 FDBDLO CCN1C(=O)CO[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1[nH+]ccn1C ZINC000598953597 552951198 /nfs/dbraw/zinc/95/11/98/552951198.db2.gz DSCHUOFMRLPMGJ-GJZGRUSLSA-N 1 2 373.369 1.255 20 5 FDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599002978 552956825 /nfs/dbraw/zinc/95/68/25/552956825.db2.gz GJPQVGWIYZVEBW-MRXNPFEDSA-N 1 2 350.419 1.547 20 5 FDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599002978 552956826 /nfs/dbraw/zinc/95/68/26/552956826.db2.gz GJPQVGWIYZVEBW-MRXNPFEDSA-N 1 2 350.419 1.547 20 5 FDBDLO COc1ccc[nH+]c1NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599020954 552958905 /nfs/dbraw/zinc/95/89/05/552958905.db2.gz QZJRUTOZPBVFQR-UHFFFAOYSA-N 1 2 366.399 1.926 20 5 FDBDLO COCCO[C@@H]1C[C@@H](CO)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599073035 552964919 /nfs/dbraw/zinc/96/49/19/552964919.db2.gz KFHSVZGXGQYFDA-UKRRQHHQSA-N 1 2 361.398 1.993 20 5 FDBDLO COc1ccc[nH+]c1N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599089220 552966137 /nfs/dbraw/zinc/96/61/37/552966137.db2.gz CVFGPALHZMKABV-UHFFFAOYSA-N 1 2 366.399 1.413 20 5 FDBDLO COC(=O)c1cc(C)nc(NC2CC([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000599095120 552966941 /nfs/dbraw/zinc/96/69/41/552966941.db2.gz SCIWMRHSRCAQSJ-UHFFFAOYSA-N 1 2 350.375 1.360 20 5 FDBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000599130132 552971652 /nfs/dbraw/zinc/97/16/52/552971652.db2.gz NYAGXVBPIGBMNI-MRXNPFEDSA-N 1 2 353.423 1.147 20 5 FDBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000599130132 552971653 /nfs/dbraw/zinc/97/16/53/552971653.db2.gz NYAGXVBPIGBMNI-MRXNPFEDSA-N 1 2 353.423 1.147 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H](O)[C@@H]1CCCO1 ZINC000599132022 552971876 /nfs/dbraw/zinc/97/18/76/552971876.db2.gz DPSWJUQSIFFIMZ-IRXDYDNUSA-N 1 2 351.403 1.379 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H](O)[C@H]1CCCO1 ZINC000599132020 552972073 /nfs/dbraw/zinc/97/20/73/552972073.db2.gz DPSWJUQSIFFIMZ-DLBZAZTESA-N 1 2 351.403 1.379 20 5 FDBDLO Cc1cc(NCCNc2ncc([N+](=O)[O-])cc2C(N)=O)nc(C(C)C)[nH+]1 ZINC000599147528 552974685 /nfs/dbraw/zinc/97/46/85/552974685.db2.gz NRMCYLBDDYIFRH-UHFFFAOYSA-N 1 2 359.390 1.835 20 5 FDBDLO CCc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599160515 552976482 /nfs/dbraw/zinc/97/64/82/552976482.db2.gz LHCLQEVSZPEDRZ-MRXNPFEDSA-N 1 2 357.414 1.779 20 5 FDBDLO CCc1cc(NC[C@@H]2COCC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599160515 552976484 /nfs/dbraw/zinc/97/64/84/552976484.db2.gz LHCLQEVSZPEDRZ-MRXNPFEDSA-N 1 2 357.414 1.779 20 5 FDBDLO COC[C@]1(C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000599201909 552984114 /nfs/dbraw/zinc/98/41/14/552984114.db2.gz LQXDZJHUXJBVJO-SFHVURJKSA-N 1 2 365.430 1.669 20 5 FDBDLO 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373.413 1.826 20 5 FDBDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])[C@@H](C)C2)cc1 ZINC000602769920 553634383 /nfs/dbraw/zinc/63/43/83/553634383.db2.gz LGHGTSDIWGJPNA-ZDUSSCGKSA-N 1 2 373.413 1.826 20 5 FDBDLO Cn1cc(C[NH2+][C@@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000602804393 553642045 /nfs/dbraw/zinc/64/20/45/553642045.db2.gz FDKXSIOHYHCAAM-LBPRGKRZSA-N 1 2 355.192 1.914 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000602809114 553642646 /nfs/dbraw/zinc/64/26/46/553642646.db2.gz FVWHRHVQPCPHNR-GFCCVEGCSA-N 1 2 350.448 1.935 20 5 FDBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000608985608 554332538 /nfs/dbraw/zinc/33/25/38/554332538.db2.gz WLVLPQGYHSNFQR-UHFFFAOYSA-N 1 2 358.354 1.780 20 5 FDBDLO COC(=O)c1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc([N+](=O)[O-])c1 ZINC000609028962 554334157 /nfs/dbraw/zinc/33/41/57/554334157.db2.gz BWMHVYRSMUASCW-UHFFFAOYSA-N 1 2 357.322 1.680 20 5 FDBDLO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029566 554334550 /nfs/dbraw/zinc/33/45/50/554334550.db2.gz XKINVVXOIWLKOM-UHFFFAOYSA-N 1 2 366.337 1.474 20 5 FDBDLO CNc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000609130073 554339944 /nfs/dbraw/zinc/33/99/44/554339944.db2.gz MXWSSFAJGZFZQC-UHFFFAOYSA-N 1 2 374.401 1.418 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471208 554380327 /nfs/dbraw/zinc/38/03/27/554380327.db2.gz IZUNGIJHNBNMBR-UHFFFAOYSA-N 1 2 366.418 1.384 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471208 554380332 /nfs/dbraw/zinc/38/03/32/554380332.db2.gz IZUNGIJHNBNMBR-UHFFFAOYSA-N 1 2 366.418 1.384 20 5 FDBDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610506572 554520373 /nfs/dbraw/zinc/52/03/73/554520373.db2.gz CSIQFHGADHUJJH-MNOVXSKESA-N 1 2 352.778 1.540 20 5 FDBDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610506572 554520375 /nfs/dbraw/zinc/52/03/75/554520375.db2.gz CSIQFHGADHUJJH-MNOVXSKESA-N 1 2 352.778 1.540 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNc3cc(N)c([N+](=O)[O-])c(CO)c3)c[nH+]2)CCO1 ZINC000611525845 554641590 /nfs/dbraw/zinc/64/15/90/554641590.db2.gz WWVDMXAWFCTYPS-GFCCVEGCSA-N 1 2 373.413 1.902 20 5 FDBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC000612346883 554765080 /nfs/dbraw/zinc/76/50/80/554765080.db2.gz ZUAJXPKRAFTALZ-UHFFFAOYSA-N 1 2 364.383 1.712 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000612991814 554868610 /nfs/dbraw/zinc/86/86/10/554868610.db2.gz WFUHDNMWQUCWAD-JTQLQIEISA-N 1 2 356.342 1.793 20 5 FDBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1OC ZINC000613743114 554963341 /nfs/dbraw/zinc/96/33/41/554963341.db2.gz GUEOMBYDLLXCMK-VHDGCEQUSA-N 1 2 368.430 1.956 20 5 FDBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1OC ZINC000613743114 554963342 /nfs/dbraw/zinc/96/33/42/554963342.db2.gz GUEOMBYDLLXCMK-VHDGCEQUSA-N 1 2 368.430 1.956 20 5 FDBDLO O=C1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000619747639 555830033 /nfs/dbraw/zinc/83/00/33/555830033.db2.gz XIOOTSGLADJJDK-SJORKVTESA-N 1 2 374.441 1.992 20 5 FDBDLO CCOc1cc(N2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000481760082 568115225 /nfs/dbraw/zinc/11/52/25/568115225.db2.gz YPCYMTRWVUWQKM-KRWDZBQOSA-N 1 2 374.441 1.879 20 5 FDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000365632126 677369302 /nfs/dbraw/zinc/36/93/02/677369302.db2.gz ZYKMNBOXAOMNTO-ZETCQYMHSA-N 1 2 364.221 1.479 20 5 FDBDLO C[N@H+]1CCO[C@@H](CNC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000365632126 677369304 /nfs/dbraw/zinc/36/93/04/677369304.db2.gz ZYKMNBOXAOMNTO-ZETCQYMHSA-N 1 2 364.221 1.479 20 5 FDBDLO CCc1nn(C)c(N2CC[NH+](Cc3cnc(C)s3)CC2)c1[N+](=O)[O-] ZINC000288966318 676078023 /nfs/dbraw/zinc/07/80/23/676078023.db2.gz UEYKDBYJMSPCNO-UHFFFAOYSA-N 1 2 350.448 1.978 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000293357043 676346799 /nfs/dbraw/zinc/34/67/99/676346799.db2.gz OCOFIQWQWQTQEL-ZDUSSCGKSA-N 1 2 372.443 1.739 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000293357043 676346801 /nfs/dbraw/zinc/34/68/01/676346801.db2.gz OCOFIQWQWQTQEL-ZDUSSCGKSA-N 1 2 372.443 1.739 20 5 FDBDLO Cc1csc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000369690851 677510551 /nfs/dbraw/zinc/51/05/51/677510551.db2.gz FNFSOQZHTDOMDU-UHFFFAOYSA-N 1 2 350.404 1.832 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(Cl)c1 ZINC000376794935 678380455 /nfs/dbraw/zinc/38/04/55/678380455.db2.gz AOUZAUUXORVIJK-SECBINFHSA-N 1 2 355.750 1.476 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c(C)cc1[N+](=O)[O-] ZINC000416400357 679605994 /nfs/dbraw/zinc/60/59/94/679605994.db2.gz GMBPKAGRUZJTIU-LBPRGKRZSA-N 1 2 371.459 1.458 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416451785 679627249 /nfs/dbraw/zinc/62/72/49/679627249.db2.gz ONHFIMYTPSKBJG-GHMZBOCLSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416451785 679627253 /nfs/dbraw/zinc/62/72/53/679627253.db2.gz ONHFIMYTPSKBJG-GHMZBOCLSA-N 1 2 371.415 1.095 20 5 FDBDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416485073 679636530 /nfs/dbraw/zinc/63/65/30/679636530.db2.gz YVAXCRBRWUEDAA-UHFFFAOYSA-N 1 2 364.305 1.826 20 5 FDBDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420436989 680450168 /nfs/dbraw/zinc/45/01/68/680450168.db2.gz JEYKAVYZEIVQNQ-GFCCVEGCSA-N 1 2 351.787 1.570 20 5 FDBDLO Cn1nccc1[C@@H](CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425469133 680903575 /nfs/dbraw/zinc/90/35/75/680903575.db2.gz DSSUOJGUXLQCNP-LLVKDONJSA-N 1 2 355.192 1.914 20 5 FDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000426183970 680950782 /nfs/dbraw/zinc/95/07/82/680950782.db2.gz PPGYMWWZJWBKJE-OAHLLOKOSA-N 1 2 371.459 1.896 20 5 FDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000426183970 680950783 /nfs/dbraw/zinc/95/07/83/680950783.db2.gz PPGYMWWZJWBKJE-OAHLLOKOSA-N 1 2 371.459 1.896 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428159961 680995851 /nfs/dbraw/zinc/99/58/51/680995851.db2.gz SXHFQHFXDKLSFH-SNVBAGLBSA-N 1 2 359.329 1.335 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000428159961 680995853 /nfs/dbraw/zinc/99/58/53/680995853.db2.gz SXHFQHFXDKLSFH-SNVBAGLBSA-N 1 2 359.329 1.335 20 5 FDBDLO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS1(=O)=O ZINC000452133876 683036442 /nfs/dbraw/zinc/03/64/42/683036442.db2.gz JLTUTGMBPJUBCR-JQWIXIFHSA-N 1 2 364.383 1.086 20 5 FDBDLO Cc1sc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000468828557 684931964 /nfs/dbraw/zinc/93/19/64/684931964.db2.gz CUYSDDJKKMWSAW-SNVBAGLBSA-N 1 2 363.461 1.042 20 5 FDBDLO Cc1sc(S(=O)(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000468828557 684931966 /nfs/dbraw/zinc/93/19/66/684931966.db2.gz CUYSDDJKKMWSAW-SNVBAGLBSA-N 1 2 363.461 1.042 20 5 FDBDLO CC[C@H]1C[N@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000487500390 686985841 /nfs/dbraw/zinc/98/58/41/686985841.db2.gz MPYVEAOZIFJMFP-LBPRGKRZSA-N 1 2 357.357 1.643 20 5 FDBDLO CC[C@H]1C[N@@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000487500390 686985842 /nfs/dbraw/zinc/98/58/42/686985842.db2.gz MPYVEAOZIFJMFP-LBPRGKRZSA-N 1 2 357.357 1.643 20 5 FDBDLO CO[C@H]1C[C@@H](CN(C)c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])[N@H+](C)C1 ZINC000490645411 687148152 /nfs/dbraw/zinc/14/81/52/687148152.db2.gz CRKRUJWULHPLSJ-RYUDHWBXSA-N 1 2 357.432 1.154 20 5 FDBDLO CO[C@H]1C[C@@H](CN(C)c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000490645411 687148153 /nfs/dbraw/zinc/14/81/53/687148153.db2.gz CRKRUJWULHPLSJ-RYUDHWBXSA-N 1 2 357.432 1.154 20 5 FDBDLO COc1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] 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352.441 1.743 20 5 FDBDLO O=C(NCCNc1cccc[nH+]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000483977276 850226163 /nfs/dbraw/zinc/22/61/63/850226163.db2.gz PVDUZIRWZHXQTG-UHFFFAOYSA-N 1 2 353.342 1.412 20 5 FDBDLO CSc1cccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c1[N+](=O)[O-] ZINC000913464027 862150448 /nfs/dbraw/zinc/15/04/48/862150448.db2.gz ZVXHAGCXWMPCNF-CYBMUJFWSA-N 1 2 361.427 1.837 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000760808805 863271342 /nfs/dbraw/zinc/27/13/42/863271342.db2.gz RRVXJKRGBARLHB-CQSZACIVSA-N 1 2 353.444 1.542 20 5 FDBDLO CC1(C)C[N@H+](CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000535256192 867552438 /nfs/dbraw/zinc/55/24/38/867552438.db2.gz ZVXBEXUTAMZQQG-UHFFFAOYSA-N 1 2 362.430 1.773 20 5 FDBDLO CC1(C)C[N@@H+](CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000535256192 867552445 /nfs/dbraw/zinc/55/24/45/867552445.db2.gz ZVXBEXUTAMZQQG-UHFFFAOYSA-N 1 2 362.430 1.773 20 5 FDBDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000428788861 867958877 /nfs/dbraw/zinc/95/88/77/867958877.db2.gz SPZNLJZTFXWGQS-INIZCTEOSA-N 1 2 364.358 1.703 20 5 FDBDLO C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[N@@H+]1CCc2ccccc2C1 ZINC000761400423 867962708 /nfs/dbraw/zinc/96/27/08/867962708.db2.gz HDTKNGQLLHHBLM-AWEZNQCLSA-N 1 2 371.393 1.747 20 5 FDBDLO C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[N@H+]1CCc2ccccc2C1 ZINC000761400423 867962711 /nfs/dbraw/zinc/96/27/11/867962711.db2.gz HDTKNGQLLHHBLM-AWEZNQCLSA-N 1 2 371.393 1.747 20 5 FDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC001005378506 883155767 /nfs/dbraw/zinc/15/57/67/883155767.db2.gz LOZWJZPGBYEKCC-HZPDHXFCSA-N 1 2 366.462 1.023 20 5 FDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC001005379446 883158039 /nfs/dbraw/zinc/15/80/39/883158039.db2.gz SRZHTBIKGJLTHJ-UKRRQHHQSA-N 1 2 352.822 1.823 20 5 FDBDLO 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CCOC(=O)C[N@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301140912 259022055 /nfs/dbraw/zinc/02/20/55/259022055.db2.gz IABPLCAWTIKHDV-UHFFFAOYSA-N 1 2 353.404 1.379 20 5 FDBDLO CS(=O)(=O)c1cccc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000301880682 259035532 /nfs/dbraw/zinc/03/55/32/259035532.db2.gz IAVMMQGBHHRWEU-UHFFFAOYSA-N 1 2 362.411 1.720 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c([N+](=O)[O-])cc1OC ZINC000367474203 260047998 /nfs/dbraw/zinc/04/79/98/260047998.db2.gz ARRHGPINJLXDMJ-ZDUSSCGKSA-N 1 2 364.402 1.602 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c([N+](=O)[O-])cc1OC ZINC000367474203 260048000 /nfs/dbraw/zinc/04/80/00/260048000.db2.gz ARRHGPINJLXDMJ-ZDUSSCGKSA-N 1 2 364.402 1.602 20 5 FDBDLO Cc1nn(CCC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000367714308 260081481 /nfs/dbraw/zinc/08/14/81/260081481.db2.gz AFYTYNCVBGIOBO-WFASDCNBSA-N 1 2 365.434 1.120 20 5 FDBDLO COC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000368542689 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ZINC000595126742 552459651 /nfs/dbraw/zinc/45/96/51/552459651.db2.gz UCKUJUQXVFHEPV-VXGBXAGGSA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1c(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000595126742 552459653 /nfs/dbraw/zinc/45/96/53/552459653.db2.gz UCKUJUQXVFHEPV-VXGBXAGGSA-N 1 2 364.402 1.067 20 5 FDBDLO O=C(C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000595288561 552513189 /nfs/dbraw/zinc/51/31/89/552513189.db2.gz NTSVXAMMQGBCJP-UHFFFAOYSA-N 1 2 350.394 1.474 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595826283 552620654 /nfs/dbraw/zinc/62/06/54/552620654.db2.gz LUGKJWMQDRZCPC-CQSZACIVSA-N 1 2 363.418 1.529 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595826283 552620655 /nfs/dbraw/zinc/62/06/55/552620655.db2.gz LUGKJWMQDRZCPC-CQSZACIVSA-N 1 2 363.418 1.529 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595827010 552620681 /nfs/dbraw/zinc/62/06/81/552620681.db2.gz PYYXMASKBXNSDC-CYBMUJFWSA-N 1 2 363.418 1.529 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595827010 552620683 /nfs/dbraw/zinc/62/06/83/552620683.db2.gz PYYXMASKBXNSDC-CYBMUJFWSA-N 1 2 363.418 1.529 20 5 FDBDLO C[C@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1[nH+]ccn1C ZINC000595845371 552622489 /nfs/dbraw/zinc/62/24/89/552622489.db2.gz MSYZWTQPHZZTPC-LBPRGKRZSA-N 1 2 359.390 1.316 20 5 FDBDLO CCOC(=O)C12CC(C1)C[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595869639 552626408 /nfs/dbraw/zinc/62/64/08/552626408.db2.gz DAYYAJPMKQQHLK-JZLYGMAVSA-N 1 2 350.371 1.362 20 5 FDBDLO CCOC(=O)C12CC(C1)C[N@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595869639 552626409 /nfs/dbraw/zinc/62/64/09/552626409.db2.gz DAYYAJPMKQQHLK-JZLYGMAVSA-N 1 2 350.371 1.362 20 5 FDBDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596059352 552651107 /nfs/dbraw/zinc/65/11/07/552651107.db2.gz YIGKPMYRORPARY-UHFFFAOYSA-N 1 2 360.336 1.824 20 5 FDBDLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000596063618 552651229 /nfs/dbraw/zinc/65/12/29/552651229.db2.gz WTEANFFFJXHYNV-UHFFFAOYSA-N 1 2 366.399 1.157 20 5 FDBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596071202 552652119 /nfs/dbraw/zinc/65/21/19/552652119.db2.gz LSEGOAVWLZCKDK-CYBMUJFWSA-N 1 2 363.418 1.218 20 5 FDBDLO C[C@H]1CN(c2ccc(CNc3ccc(N)c([N+](=O)[O-])n3)c[nH+]2)C[C@H](C)O1 ZINC000596076229 552653211 /nfs/dbraw/zinc/65/32/11/552653211.db2.gz NMOHARHIENMFOO-RYUDHWBXSA-N 1 2 358.402 2.193 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596419563 552677519 /nfs/dbraw/zinc/67/75/19/552677519.db2.gz UMSLYHVGPBRWSO-ZIAGYGMSSA-N 1 2 350.419 1.546 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596419563 552677522 /nfs/dbraw/zinc/67/75/22/552677522.db2.gz UMSLYHVGPBRWSO-ZIAGYGMSSA-N 1 2 350.419 1.546 20 5 FDBDLO CNS(=O)(=O)c1ccc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596431760 552678869 /nfs/dbraw/zinc/67/88/69/552678869.db2.gz QIMXUMYKANEQRO-VXGBXAGGSA-N 1 2 372.447 1.024 20 5 FDBDLO CNS(=O)(=O)c1ccc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596431760 552678871 /nfs/dbraw/zinc/67/88/71/552678871.db2.gz QIMXUMYKANEQRO-VXGBXAGGSA-N 1 2 372.447 1.024 20 5 FDBDLO C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596539786 552687185 /nfs/dbraw/zinc/68/71/85/552687185.db2.gz BSNIJYHKYWIEHR-SNVBAGLBSA-N 1 2 353.404 1.752 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000596579928 552691178 /nfs/dbraw/zinc/69/11/78/552691178.db2.gz RQUCJJIAGWDPIO-STQMWFEESA-N 1 2 350.419 1.812 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000596579928 552691179 /nfs/dbraw/zinc/69/11/79/552691179.db2.gz RQUCJJIAGWDPIO-STQMWFEESA-N 1 2 350.419 1.812 20 5 FDBDLO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000597860566 552841539 /nfs/dbraw/zinc/84/15/39/552841539.db2.gz ORABGZHPAGDSJA-NSHDSACASA-N 1 2 369.443 1.601 20 5 FDBDLO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000597860566 552841540 /nfs/dbraw/zinc/84/15/40/552841540.db2.gz ORABGZHPAGDSJA-NSHDSACASA-N 1 2 369.443 1.601 20 5 FDBDLO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000597874888 552842852 /nfs/dbraw/zinc/84/28/52/552842852.db2.gz SHZZNHMVZJJUFJ-UHFFFAOYSA-N 1 2 363.414 1.921 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)CO1 ZINC000597999301 552855423 /nfs/dbraw/zinc/85/54/23/552855423.db2.gz RYPQPZQAMOFJLP-QWHCGFSZSA-N 1 2 374.401 1.015 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C)CO1 ZINC000597999301 552855424 /nfs/dbraw/zinc/85/54/24/552855424.db2.gz RYPQPZQAMOFJLP-QWHCGFSZSA-N 1 2 374.401 1.015 20 5 FDBDLO 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C[C@@](O)(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000497749020 687707557 /nfs/dbraw/zinc/70/75/57/687707557.db2.gz PLCHRWSVGAJFFU-OAHLLOKOSA-N 1 2 357.794 1.061 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)cn1 ZINC000517094573 690034093 /nfs/dbraw/zinc/03/40/93/690034093.db2.gz ZVTZXMQFSTVVPZ-VWLOTQADSA-N 1 2 360.439 1.920 20 5 FDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000525128448 694592443 /nfs/dbraw/zinc/59/24/43/694592443.db2.gz NOQPIRMSBCMCJY-UHFFFAOYSA-N 1 2 359.367 1.654 20 5 FDBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(N)c([N+](=O)[O-])cn1)C2 ZINC001165011316 721707592 /nfs/dbraw/zinc/70/75/92/721707592.db2.gz QZNREEDOGFLQCK-UHFFFAOYSA-N 1 2 360.422 1.414 20 5 FDBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(N)c([N+](=O)[O-])cn1)C2 ZINC001165011316 721707600 /nfs/dbraw/zinc/70/76/00/721707600.db2.gz QZNREEDOGFLQCK-UHFFFAOYSA-N 1 2 360.422 1.414 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000276018890 775250180 /nfs/dbraw/zinc/25/01/80/775250180.db2.gz OZRYXMYUJAVFHL-AWEZNQCLSA-N 1 2 360.370 1.955 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000276018890 775250195 /nfs/dbraw/zinc/25/01/95/775250195.db2.gz OZRYXMYUJAVFHL-AWEZNQCLSA-N 1 2 360.370 1.955 20 5 FDBDLO COc1cc([N+](=O)[O-])cnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000891966341 780861810 /nfs/dbraw/zinc/86/18/10/780861810.db2.gz NJATXVKCWVXDPN-HNNXBMFYSA-N 1 2 354.432 1.618 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000376534416 788244194 /nfs/dbraw/zinc/24/41/94/788244194.db2.gz GLXHEEAFZGJQKN-HOTGVXAUSA-N 1 2 363.414 1.977 20 5 FDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000377162477 791173513 /nfs/dbraw/zinc/17/35/13/791173513.db2.gz LVWPPVOWBTYMST-UHFFFAOYSA-N 1 2 374.441 1.932 20 5 FDBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000377162477 791173519 /nfs/dbraw/zinc/17/35/19/791173519.db2.gz LVWPPVOWBTYMST-UHFFFAOYSA-N 1 2 374.441 1.932 20 5 FDBDLO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000412117089 792173986 /nfs/dbraw/zinc/17/39/86/792173986.db2.gz CWLMKTSHIOQPHF-DLBZAZTESA-N 1 2 370.413 1.134 20 5 FDBDLO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000377585203 792274239 /nfs/dbraw/zinc/27/42/39/792274239.db2.gz QAIMEGCUZQLPCR-LBPRGKRZSA-N 1 2 374.401 1.935 20 5 FDBDLO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000377585203 792274250 /nfs/dbraw/zinc/27/42/50/792274250.db2.gz QAIMEGCUZQLPCR-LBPRGKRZSA-N 1 2 374.401 1.935 20 5 FDBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000377823633 792862276 /nfs/dbraw/zinc/86/22/76/792862276.db2.gz LMBPCIWKNGCOID-IJDCCNJMSA-N 1 2 372.425 1.421 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2cc(CO)ccc2F)CC1 ZINC000981138698 807577856 /nfs/dbraw/zinc/57/78/56/807577856.db2.gz YYFCLKMTSHXEAW-GDBMZVCRSA-N 1 2 351.378 1.018 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cc(CO)ccc2F)CC1 ZINC000981138698 807577863 /nfs/dbraw/zinc/57/78/63/807577863.db2.gz YYFCLKMTSHXEAW-GDBMZVCRSA-N 1 2 351.378 1.018 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279073045 808258801 /nfs/dbraw/zinc/25/88/01/808258801.db2.gz MVMQGOHZMUOCBJ-QGZVFWFLSA-N 1 2 362.386 1.556 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279073045 808258807 /nfs/dbraw/zinc/25/88/07/808258807.db2.gz MVMQGOHZMUOCBJ-QGZVFWFLSA-N 1 2 362.386 1.556 20 5 FDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000279368851 808952112 /nfs/dbraw/zinc/95/21/12/808952112.db2.gz SKIDUCFCOZAKGS-UHFFFAOYSA-N 1 2 361.402 1.654 20 5 FDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000279368851 808952114 /nfs/dbraw/zinc/95/21/14/808952114.db2.gz SKIDUCFCOZAKGS-UHFFFAOYSA-N 1 2 361.402 1.654 20 5 FDBDLO O=c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccn12 ZINC000015417899 809550198 /nfs/dbraw/zinc/55/01/98/809550198.db2.gz VCFKIORKRSXWQH-UHFFFAOYSA-N 1 2 365.393 1.925 20 5 FDBDLO CC(=O)N1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000280526958 811846724 /nfs/dbraw/zinc/84/67/24/811846724.db2.gz GRGMDNXYICWOHB-UHFFFAOYSA-N 1 2 357.370 1.475 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](n2ccnn2)C1 ZINC000425006564 815498948 /nfs/dbraw/zinc/49/89/48/815498948.db2.gz PRNPODUKEQGTJP-CQSZACIVSA-N 1 2 367.369 1.849 20 5 FDBDLO CC[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366575164 813593833 /nfs/dbraw/zinc/59/38/33/813593833.db2.gz OAYMWLUUWNFZJX-QAPCUYQASA-N 1 2 363.414 1.854 20 5 FDBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366575164 813593837 /nfs/dbraw/zinc/59/38/37/813593837.db2.gz OAYMWLUUWNFZJX-QAPCUYQASA-N 1 2 363.414 1.854 20 5 FDBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000503211970 814801562 /nfs/dbraw/zinc/80/15/62/814801562.db2.gz SUGVXVWSLDKACJ-HNNXBMFYSA-N 1 2 372.425 1.908 20 5 FDBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000503211970 814801563 /nfs/dbraw/zinc/80/15/63/814801563.db2.gz SUGVXVWSLDKACJ-HNNXBMFYSA-N 1 2 372.425 1.908 20 5 FDBDLO Cn1ccnc1[C@H]([NH2+]CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000514105422 815599750 /nfs/dbraw/zinc/59/97/50/815599750.db2.gz RGIZKOYLFRJSLU-QGZVFWFLSA-N 1 2 359.430 1.730 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000516862715 817067485 /nfs/dbraw/zinc/06/74/85/817067485.db2.gz KDWWKKMVBIAZSR-NSHDSACASA-N 1 2 372.303 1.933 20 5 FDBDLO O=[N+]([O-])c1cc(Br)cnc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000895252554 822272829 /nfs/dbraw/zinc/27/28/29/822272829.db2.gz OIIAYAYSQVDHBV-UHFFFAOYSA-N 1 2 373.207 1.613 20 5 FDBDLO O=[N+]([O-])c1cc(Br)cnc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC000895252554 822272839 /nfs/dbraw/zinc/27/28/39/822272839.db2.gz OIIAYAYSQVDHBV-UHFFFAOYSA-N 1 2 373.207 1.613 20 5 FDBDLO COc1c(O)ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895760020 822731372 /nfs/dbraw/zinc/73/13/72/822731372.db2.gz MXTCEDHPIXGZSB-VHSXEESVSA-N 1 2 350.293 1.912 20 5 FDBDLO COc1c(O)ccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895760020 822731377 /nfs/dbraw/zinc/73/13/77/822731377.db2.gz MXTCEDHPIXGZSB-VHSXEESVSA-N 1 2 350.293 1.912 20 5 FDBDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447396794 828733600 /nfs/dbraw/zinc/73/36/00/828733600.db2.gz XCRNGPCMJJXEIT-GXTWGEPZSA-N 1 2 364.402 1.317 20 5 FDBDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447396794 828733604 /nfs/dbraw/zinc/73/36/04/828733604.db2.gz XCRNGPCMJJXEIT-GXTWGEPZSA-N 1 2 364.402 1.317 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000281629778 826122018 /nfs/dbraw/zinc/12/20/18/826122018.db2.gz FVRVSEWQRJPRAZ-UHFFFAOYSA-N 1 2 362.386 1.239 20 5 FDBDLO C[N@H+](Cc1ncc(Cl)s1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425742 827780208 /nfs/dbraw/zinc/78/02/08/827780208.db2.gz HSCCADNXLRMTBK-GHMZBOCLSA-N 1 2 358.851 1.885 20 5 FDBDLO C[N@@H+](Cc1ncc(Cl)s1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425742 827780210 /nfs/dbraw/zinc/78/02/10/827780210.db2.gz HSCCADNXLRMTBK-GHMZBOCLSA-N 1 2 358.851 1.885 20 5 FDBDLO CC(C)c1nnc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985430662 827805146 /nfs/dbraw/zinc/80/51/46/827805146.db2.gz HNEJEFZKHUNNHZ-CHWSQXEVSA-N 1 2 351.407 1.281 20 5 FDBDLO CC(C)c1nnc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985430662 827805151 /nfs/dbraw/zinc/80/51/51/827805151.db2.gz HNEJEFZKHUNNHZ-CHWSQXEVSA-N 1 2 351.407 1.281 20 5 FDBDLO C[N@H+](Cc1nnc(C(C)(C)C)o1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433471 827823123 /nfs/dbraw/zinc/82/31/23/827823123.db2.gz KYMOORHVSALJCR-CHWSQXEVSA-N 1 2 365.434 1.455 20 5 FDBDLO C[N@@H+](Cc1nnc(C(C)(C)C)o1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433471 827823137 /nfs/dbraw/zinc/82/31/37/827823137.db2.gz KYMOORHVSALJCR-CHWSQXEVSA-N 1 2 365.434 1.455 20 5 FDBDLO C[C@H](CN1CCCC1=O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448754474 829240345 /nfs/dbraw/zinc/24/03/45/829240345.db2.gz SWDRYGYWTQEANQ-GFCCVEGCSA-N 1 2 357.370 1.521 20 5 FDBDLO CC(C)(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448892894 829287839 /nfs/dbraw/zinc/28/78/39/829287839.db2.gz GOMKEBMAJKYISJ-UHFFFAOYSA-N 1 2 359.386 1.815 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448958859 829322247 /nfs/dbraw/zinc/32/22/47/829322247.db2.gz AZHCAHKPMXPPRB-DOMZBBRYSA-N 1 2 374.353 1.183 20 5 FDBDLO CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450596586 830041579 /nfs/dbraw/zinc/04/15/79/830041579.db2.gz SYRNSXOPECRGQH-BBRMVZONSA-N 1 2 360.370 1.704 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@]2(CCOC2)O1 ZINC000451367925 830356543 /nfs/dbraw/zinc/35/65/43/830356543.db2.gz JKYBAPLQHUHXIS-UGSOOPFHSA-N 1 2 372.381 1.801 20 5 FDBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531885957 830907229 /nfs/dbraw/zinc/90/72/29/830907229.db2.gz YKQFEGTVAOTEMY-CQSZACIVSA-N 1 2 370.413 1.325 20 5 FDBDLO CNc1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000454131877 834624359 /nfs/dbraw/zinc/62/43/59/834624359.db2.gz FEAKSKHXISHNSG-UHFFFAOYSA-N 1 2 355.398 1.990 20 5 FDBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000476368070 841116866 /nfs/dbraw/zinc/11/68/66/841116866.db2.gz HDMVRIRRYDJHHZ-UHFFFAOYSA-N 1 2 358.402 1.328 20 5 FDBDLO COc1cccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000192897670 846980117 /nfs/dbraw/zinc/98/01/17/846980117.db2.gz HPASIXHOAMSEEK-UHFFFAOYSA-N 1 2 357.370 1.664 20 5 FDBDLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000913462036 862216780 /nfs/dbraw/zinc/21/67/80/862216780.db2.gz DBJYKOGJKFIEOU-BDJLRTHQSA-N 1 2 361.377 1.744 20 5 FDBDLO CC[N@H+](C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000761401953 867973008 /nfs/dbraw/zinc/97/30/08/867973008.db2.gz JDNFVNKVAGIDGC-QGZVFWFLSA-N 1 2 359.382 1.993 20 5 FDBDLO CC[N@@H+](C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000761401953 867973018 /nfs/dbraw/zinc/97/30/18/867973018.db2.gz JDNFVNKVAGIDGC-QGZVFWFLSA-N 1 2 359.382 1.993 20 5 FDBDLO COC(=O)C[C@]1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOC1 ZINC000464570851 868948623 /nfs/dbraw/zinc/94/86/23/868948623.db2.gz NSAHIPFQQPKAPJ-MRXNPFEDSA-N 1 2 362.342 1.457 20 5 FDBDLO CC(C)N1C(=O)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000464739041 869000310 /nfs/dbraw/zinc/00/03/10/869000310.db2.gz VPLLTFVRGUDZMT-OAHLLOKOSA-N 1 2 365.430 1.666 20 5 FDBDLO CC(C)N1C(=O)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000464739041 869000319 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FDBDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)c1 ZINC000285565378 999915804 /nfs/dbraw/zinc/91/58/04/999915804.db2.gz JURJMHBAFOSSCU-GFCCVEGCSA-N 1 2 359.386 1.846 20 5 FDBDLO CCOCCOCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000930585281 1003293489 /nfs/dbraw/zinc/29/34/89/1003293489.db2.gz MYTCQBQBARISDU-UHFFFAOYSA-N 1 2 351.403 1.406 20 5 FDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000778094399 1004991570 /nfs/dbraw/zinc/99/15/70/1004991570.db2.gz MJAPNHJREDMFOV-SNVBAGLBSA-N 1 2 354.363 1.532 20 5 FDBDLO CCOC(=O)[C@@]1(C)CC(=O)N(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795645308 1007260433 /nfs/dbraw/zinc/26/04/33/1007260433.db2.gz TZRQLAHTMMQRLF-SFHVURJKSA-N 1 2 363.414 1.828 20 5 FDBDLO CCOC(=O)[C@@]1(C)CC(=O)N(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000795645308 1007260443 /nfs/dbraw/zinc/26/04/43/1007260443.db2.gz TZRQLAHTMMQRLF-SFHVURJKSA-N 1 2 363.414 1.828 20 5 FDBDLO 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O=C(C[NH+]1CCC(c2ccnn2CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000195509199 178268450 /nfs/dbraw/zinc/26/84/50/178268450.db2.gz SDGZFKXBGFWROX-UHFFFAOYSA-N 1 2 373.413 1.602 20 5 FDBDLO COc1cc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000510379932 538955234 /nfs/dbraw/zinc/95/52/34/538955234.db2.gz OZKQOVPPULULIC-CQSZACIVSA-N 1 2 366.399 1.767 20 5 FDBDLO O=C(N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000512479548 538975358 /nfs/dbraw/zinc/97/53/58/538975358.db2.gz LSWRWWFFCRQSGK-ZIAGYGMSSA-N 1 2 369.381 1.664 20 5 FDBDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000263968308 179006341 /nfs/dbraw/zinc/00/63/41/179006341.db2.gz ONNRNQBXVQSJKU-UHFFFAOYSA-N 1 2 372.381 1.458 20 5 FDBDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000264030007 179017278 /nfs/dbraw/zinc/01/72/78/179017278.db2.gz ZVSDXMXZWKZRRK-UHFFFAOYSA-N 1 2 371.415 1.081 20 5 FDBDLO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H](C)[NH+]1CCOCC1 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ZINC000177132967 174108333 /nfs/dbraw/zinc/10/83/33/174108333.db2.gz ZATLFIAXCROKFX-UHFFFAOYSA-N 1 2 360.345 1.896 20 5 FDBDLO C[C@@H]1C[NH+]=C(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)S1 ZINC000177215584 174114982 /nfs/dbraw/zinc/11/49/82/174114982.db2.gz ALWMFFMPLJFVHA-GFCCVEGCSA-N 1 2 363.443 1.642 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000180389367 258367642 /nfs/dbraw/zinc/36/76/42/258367642.db2.gz QRIVPLDSPWVPAD-JTQLQIEISA-N 1 2 371.340 1.582 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000180389367 258367643 /nfs/dbraw/zinc/36/76/43/258367643.db2.gz QRIVPLDSPWVPAD-JTQLQIEISA-N 1 2 371.340 1.582 20 5 FDBDLO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3C[NH+]3CCOCC3)n2)c1 ZINC000174028942 258317690 /nfs/dbraw/zinc/31/76/90/258317690.db2.gz GELHGUNQKAZPSE-INIZCTEOSA-N 1 2 373.413 1.941 20 5 FDBDLO CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177952401 258327282 /nfs/dbraw/zinc/32/72/82/258327282.db2.gz BUGFAOTUKHZFTQ-CYBMUJFWSA-N 1 2 372.385 1.314 20 5 FDBDLO CCc1[nH]nc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000178850255 258337173 /nfs/dbraw/zinc/33/71/73/258337173.db2.gz OXOBCSVGXDKIHJ-UHFFFAOYSA-N 1 2 353.423 1.311 20 5 FDBDLO CCS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178888069 258338778 /nfs/dbraw/zinc/33/87/78/258338778.db2.gz NFRMNFKDONBPRY-UHFFFAOYSA-N 1 2 356.448 1.046 20 5 FDBDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189782856 258387629 /nfs/dbraw/zinc/38/76/29/258387629.db2.gz FXZXRADFZMTDSW-DZGCQCFKSA-N 1 2 351.403 1.181 20 5 FDBDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189782856 258387630 /nfs/dbraw/zinc/38/76/30/258387630.db2.gz FXZXRADFZMTDSW-DZGCQCFKSA-N 1 2 351.403 1.181 20 5 FDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000280914948 258629898 /nfs/dbraw/zinc/62/98/98/258629898.db2.gz IVNISTJVJFFIOX-STQMWFEESA-N 1 2 351.403 1.833 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1c[nH+]ccc1OC ZINC000556559460 544157226 /nfs/dbraw/zinc/15/72/26/544157226.db2.gz SZEUJSHVCFRVBK-UHFFFAOYSA-N 1 2 358.354 1.816 20 5 FDBDLO Cc1sc(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1[N+](=O)[O-] ZINC000556836181 544210939 /nfs/dbraw/zinc/21/09/39/544210939.db2.gz CKCIOTFZMWUDNV-LLVKDONJSA-N 1 2 364.427 1.749 20 5 FDBDLO CCc1nn(C)c(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c1[N+](=O)[O-] ZINC000556945326 544223682 /nfs/dbraw/zinc/22/36/82/544223682.db2.gz SFNXMOOOOCOUPE-UHFFFAOYSA-N 1 2 364.450 1.247 20 5 FDBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557074577 544241475 /nfs/dbraw/zinc/24/14/75/544241475.db2.gz OTBYLXFOQDWYSK-UHFFFAOYSA-N 1 2 350.419 1.052 20 5 FDBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000557074577 544241477 /nfs/dbraw/zinc/24/14/77/544241477.db2.gz OTBYLXFOQDWYSK-UHFFFAOYSA-N 1 2 350.419 1.052 20 5 FDBDLO Cc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 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ZINC000611567834 554647470 /nfs/dbraw/zinc/64/74/70/554647470.db2.gz YPEIFBRIVUPJPI-OLZOCXBDSA-N 1 2 369.324 1.930 20 5 FDBDLO O=C1C[C@H]([N@H+]2CCC[C@@H](OC(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000611567834 554647472 /nfs/dbraw/zinc/64/74/72/554647472.db2.gz YPEIFBRIVUPJPI-OLZOCXBDSA-N 1 2 369.324 1.930 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000612031043 554722408 /nfs/dbraw/zinc/72/24/08/554722408.db2.gz NZSYJPITFDUWSP-GYSYKLTISA-N 1 2 364.320 1.986 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000612031043 554722410 /nfs/dbraw/zinc/72/24/10/554722410.db2.gz NZSYJPITFDUWSP-GYSYKLTISA-N 1 2 364.320 1.986 20 5 FDBDLO Cc1c(Br)c(N2CC[NH+](C(C)(C)CO)CC2)ncc1[N+](=O)[O-] ZINC000612444848 554780460 /nfs/dbraw/zinc/78/04/60/554780460.db2.gz XCSCDWOOYLAYHD-UHFFFAOYSA-N 1 2 373.251 1.954 20 5 FDBDLO Cn1c(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000612932318 554860216 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356.400 1.396 20 5 FDBDLO COC(=O)C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273123402 674508522 /nfs/dbraw/zinc/50/85/22/674508522.db2.gz HSCIALFXKLYXPE-CYBMUJFWSA-N 1 2 356.400 1.396 20 5 FDBDLO NS(=O)(=O)c1cccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000273437410 674537469 /nfs/dbraw/zinc/53/74/69/674537469.db2.gz CFARIMSRBBUMNR-NSHDSACASA-N 1 2 363.399 1.328 20 5 FDBDLO O=[N+]([O-])c1cc(N2CC[NH+](Cc3ccncc3)CC2)ccc1-c1nn[nH]n1 ZINC000823635045 606645091 /nfs/dbraw/zinc/64/50/91/606645091.db2.gz QHRMNAQULLCDPY-UHFFFAOYSA-N 1 2 366.385 1.492 20 5 FDBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1n1cc[nH+]c1 ZINC000820727045 607046888 /nfs/dbraw/zinc/04/68/88/607046888.db2.gz FUPFUZMPZSFWPE-ZWNOBZJWSA-N 1 2 355.362 1.454 20 5 FDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000826497795 607810478 /nfs/dbraw/zinc/81/04/78/607810478.db2.gz VBADJABDPGYMHB-SNVBAGLBSA-N 1 2 353.346 1.256 20 5 FDBDLO CCOc1cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276916043 674808180 /nfs/dbraw/zinc/80/81/80/674808180.db2.gz OEQARAXVMIFSQD-AWEZNQCLSA-N 1 2 371.459 1.897 20 5 FDBDLO CCOc1cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276916043 674808181 /nfs/dbraw/zinc/80/81/81/674808181.db2.gz OEQARAXVMIFSQD-AWEZNQCLSA-N 1 2 371.459 1.897 20 5 FDBDLO O=C(NCCc1cccs1)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000119593457 671676695 /nfs/dbraw/zinc/67/66/95/671676695.db2.gz NVKPDYYIUIMFJS-UHFFFAOYSA-N 1 2 363.443 1.881 20 5 FDBDLO COc1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000193935917 672376037 /nfs/dbraw/zinc/37/60/37/672376037.db2.gz WSFHZWIGIIYRFA-CQSZACIVSA-N 1 2 351.403 1.690 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246096719 672488663 /nfs/dbraw/zinc/48/86/63/672488663.db2.gz LFZLKABRIOMIFM-STQMWFEESA-N 1 2 357.432 1.061 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C[C@H](C)O ZINC000246096719 672488664 /nfs/dbraw/zinc/48/86/64/672488664.db2.gz LFZLKABRIOMIFM-STQMWFEESA-N 1 2 357.432 1.061 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1C ZINC000249132301 672545296 /nfs/dbraw/zinc/54/52/96/672545296.db2.gz DEHVIFHMLOWBTK-STQMWFEESA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1C ZINC000249132301 672545299 /nfs/dbraw/zinc/54/52/99/672545299.db2.gz DEHVIFHMLOWBTK-STQMWFEESA-N 1 2 371.459 1.287 20 5 FDBDLO CN(C)c1[nH+]cc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1C ZINC000265503501 672933838 /nfs/dbraw/zinc/93/38/38/672933838.db2.gz DMFBWIZKGUGTQP-UHFFFAOYSA-N 1 2 373.822 1.526 20 5 FDBDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000289460488 676139621 /nfs/dbraw/zinc/13/96/21/676139621.db2.gz OJZVEDZHFXOWAV-UHFFFAOYSA-N 1 2 357.432 1.507 20 5 FDBDLO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281194050 675499626 /nfs/dbraw/zinc/49/96/26/675499626.db2.gz RPFOTUVMKNLGNR-OAHLLOKOSA-N 1 2 354.794 1.645 20 5 FDBDLO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281194050 675499627 /nfs/dbraw/zinc/49/96/27/675499627.db2.gz RPFOTUVMKNLGNR-OAHLLOKOSA-N 1 2 354.794 1.645 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362719178 676922886 /nfs/dbraw/zinc/92/28/86/676922886.db2.gz GTKZFJGUSCXOJM-KBPBESRZSA-N 1 2 369.443 1.435 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362719178 676922888 /nfs/dbraw/zinc/92/28/88/676922888.db2.gz GTKZFJGUSCXOJM-KBPBESRZSA-N 1 2 369.443 1.435 20 5 FDBDLO O=C1NCCCC[C@@H]1[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363611867 676965239 /nfs/dbraw/zinc/96/52/39/676965239.db2.gz AMLPZEJPIVWXQH-INIZCTEOSA-N 1 2 350.394 1.520 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c(Cl)c1 ZINC000376794938 678380508 /nfs/dbraw/zinc/38/05/08/678380508.db2.gz AOUZAUUXORVIJK-VIFPVBQESA-N 1 2 355.750 1.476 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376840643 678389809 /nfs/dbraw/zinc/38/98/09/678389809.db2.gz DQKIAWZSIFYOLS-CQSZACIVSA-N 1 2 364.427 1.690 20 5 FDBDLO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000412073576 679151662 /nfs/dbraw/zinc/15/16/62/679151662.db2.gz LBVFUWKLSPIFJR-RYUDHWBXSA-N 1 2 367.427 1.760 20 5 FDBDLO COC(=O)[C@@H]1CSCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000412073576 679151664 /nfs/dbraw/zinc/15/16/64/679151664.db2.gz LBVFUWKLSPIFJR-RYUDHWBXSA-N 1 2 367.427 1.760 20 5 FDBDLO COc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000413961788 679319994 /nfs/dbraw/zinc/31/99/94/679319994.db2.gz UDAPYRKEYIMHEI-UHFFFAOYSA-N 1 2 351.403 1.752 20 5 FDBDLO COc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000414056589 679329536 /nfs/dbraw/zinc/32/95/36/679329536.db2.gz ZVERHTDAEFBPOE-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO COc1ccc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000414476335 679355487 /nfs/dbraw/zinc/35/54/87/679355487.db2.gz ZZBVGYKHIZJRTJ-NSHDSACASA-N 1 2 354.388 1.415 20 5 FDBDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000425201237 680883040 /nfs/dbraw/zinc/88/30/40/680883040.db2.gz JCMCCAIZLWEIMZ-UHFFFAOYSA-N 1 2 371.459 1.635 20 5 FDBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000433132866 681174037 /nfs/dbraw/zinc/17/40/37/681174037.db2.gz CTZJCYWNEBXRDE-CQSZACIVSA-N 1 2 350.375 1.863 20 5 FDBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000433132866 681174038 /nfs/dbraw/zinc/17/40/38/681174038.db2.gz CTZJCYWNEBXRDE-CQSZACIVSA-N 1 2 350.375 1.863 20 5 FDBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000475008394 685552725 /nfs/dbraw/zinc/55/27/25/685552725.db2.gz GDKBXOOETYIHSZ-UHFFFAOYSA-N 1 2 367.383 1.840 20 5 FDBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS(=O)(=O)C1 ZINC000448635199 682628268 /nfs/dbraw/zinc/62/82/68/682628268.db2.gz OZVAUZDBQFAXRX-HNNXBMFYSA-N 1 2 364.383 1.088 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448982254 682655760 /nfs/dbraw/zinc/65/57/60/682655760.db2.gz ALKSKJDQWPTTEY-LLVKDONJSA-N 1 2 366.399 1.334 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000470614032 685048221 /nfs/dbraw/zinc/04/82/21/685048221.db2.gz PYVQKTBRYITLEQ-OAHLLOKOSA-N 1 2 350.419 1.547 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000470614032 685048227 /nfs/dbraw/zinc/04/82/27/685048227.db2.gz PYVQKTBRYITLEQ-OAHLLOKOSA-N 1 2 350.419 1.547 20 5 FDBDLO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483268054 686482556 /nfs/dbraw/zinc/48/25/56/686482556.db2.gz ZLLJFCYEUQCQPL-ZWNOBZJWSA-N 1 2 357.794 1.658 20 5 FDBDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483268054 686482560 /nfs/dbraw/zinc/48/25/60/686482560.db2.gz ZLLJFCYEUQCQPL-ZWNOBZJWSA-N 1 2 357.794 1.658 20 5 FDBDLO Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000494809086 687583066 /nfs/dbraw/zinc/58/30/66/687583066.db2.gz LQDGBWCXCARJFT-LBPRGKRZSA-N 1 2 353.766 1.243 20 5 FDBDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001165007969 721698251 /nfs/dbraw/zinc/69/82/51/721698251.db2.gz HTBIBBULJOZZRF-UHFFFAOYSA-N 1 2 363.397 1.971 20 5 FDBDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001165007969 721698253 /nfs/dbraw/zinc/69/82/53/721698253.db2.gz HTBIBBULJOZZRF-UHFFFAOYSA-N 1 2 363.397 1.971 20 5 FDBDLO Cn1cnc(CCNc2nc(NCCc3cn(C)c[nH+]3)ccc2[N+](=O)[O-])c1 ZINC000413382620 772443656 /nfs/dbraw/zinc/44/36/56/772443656.db2.gz MKQAYBMZEAJQNC-UHFFFAOYSA-N 1 2 370.417 1.766 20 5 FDBDLO Cn1cnc(CCNc2ccc([N+](=O)[O-])c(NCCc3cn(C)c[nH+]3)n2)c1 ZINC000413382620 772443658 /nfs/dbraw/zinc/44/36/58/772443658.db2.gz MKQAYBMZEAJQNC-UHFFFAOYSA-N 1 2 370.417 1.766 20 5 FDBDLO O=C(OCCCn1cc[nH+]c1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000785017126 774355198 /nfs/dbraw/zinc/35/51/98/774355198.db2.gz AILWTSSEXCYDPT-UHFFFAOYSA-N 1 2 372.337 1.692 20 5 FDBDLO CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000364594093 785107943 /nfs/dbraw/zinc/10/79/43/785107943.db2.gz DHMZUYDBGYCTRH-UHFFFAOYSA-N 1 2 362.430 1.774 20 5 FDBDLO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000364594093 785107950 /nfs/dbraw/zinc/10/79/50/785107950.db2.gz DHMZUYDBGYCTRH-UHFFFAOYSA-N 1 2 362.430 1.774 20 5 FDBDLO Cc1cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000411285159 785240011 /nfs/dbraw/zinc/24/00/11/785240011.db2.gz QUPRISQXGPDNHJ-UHFFFAOYSA-N 1 2 357.370 1.971 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1cnc(Cl)s1)C2 ZINC000981765003 808451801 /nfs/dbraw/zinc/45/18/01/808451801.db2.gz MOTJUIVQVJTFFW-VXGBXAGGSA-N 1 2 370.862 1.886 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1cnc(Cl)s1)C2 ZINC000981765003 808451806 /nfs/dbraw/zinc/45/18/06/808451806.db2.gz MOTJUIVQVJTFFW-VXGBXAGGSA-N 1 2 370.862 1.886 20 5 FDBDLO Cn1ccnc1[C@H]([NH2+]CCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000513666952 811658821 /nfs/dbraw/zinc/65/88/21/811658821.db2.gz OPSRULFOKAMUQT-MRXNPFEDSA-N 1 2 353.386 1.909 20 5 FDBDLO CC(C)(NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000366540533 813519412 /nfs/dbraw/zinc/51/94/12/813519412.db2.gz ZSYDAIGOSYYQEH-INIZCTEOSA-N 1 2 362.430 1.992 20 5 FDBDLO CC(C)(NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000366540533 813519419 /nfs/dbraw/zinc/51/94/19/813519419.db2.gz ZSYDAIGOSYYQEH-INIZCTEOSA-N 1 2 362.430 1.992 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](c3ccccc3OC)C2)n1 ZINC000505453215 815652428 /nfs/dbraw/zinc/65/24/28/815652428.db2.gz KAGUPHRAPDCYDL-CYBMUJFWSA-N 1 2 359.386 1.607 20 5 FDBDLO Cc1cccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1[N+](=O)[O-] ZINC000518744120 817977455 /nfs/dbraw/zinc/97/74/55/817977455.db2.gz BDPKTAJJCLGOMT-UHFFFAOYSA-N 1 2 359.386 1.684 20 5 FDBDLO O=C1CCCN1C1CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000729468567 818397173 /nfs/dbraw/zinc/39/71/73/818397173.db2.gz PQRINDSAYAMBGV-UHFFFAOYSA-N 1 2 370.413 1.898 20 5 FDBDLO CCc1nnc([C@H](C)[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)[nH]1 ZINC000474009978 820490867 /nfs/dbraw/zinc/49/08/67/820490867.db2.gz NIMSLUCZCKRIID-JTQLQIEISA-N 1 2 363.374 1.678 20 5 FDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1OC ZINC000428165901 820918997 /nfs/dbraw/zinc/91/89/97/820918997.db2.gz MLSYMARNWFZRSK-GFCCVEGCSA-N 1 2 367.402 1.141 20 5 FDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1OC ZINC000428165901 820919002 /nfs/dbraw/zinc/91/90/02/820919002.db2.gz MLSYMARNWFZRSK-GFCCVEGCSA-N 1 2 367.402 1.141 20 5 FDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000895800879 822750628 /nfs/dbraw/zinc/75/06/28/822750628.db2.gz IUCJAXMWWZAOHV-AWEZNQCLSA-N 1 2 351.403 1.833 20 5 FDBDLO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cn(C)c[nH+]1 ZINC000840327198 823764055 /nfs/dbraw/zinc/76/40/55/823764055.db2.gz NCOMVRWLGFGMRK-UHFFFAOYSA-N 1 2 369.403 1.165 20 5 FDBDLO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896546000 824542406 /nfs/dbraw/zinc/54/24/06/824542406.db2.gz SLXWFPHTKRZDPS-BMIGLBTASA-N 1 2 372.828 1.680 20 5 FDBDLO C[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896546000 824542415 /nfs/dbraw/zinc/54/24/15/824542415.db2.gz SLXWFPHTKRZDPS-BMIGLBTASA-N 1 2 372.828 1.680 20 5 FDBDLO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000441223123 828681580 /nfs/dbraw/zinc/68/15/80/828681580.db2.gz JJHNLYHMMAPYEY-XHDPSFHLSA-N 1 2 365.386 1.168 20 5 FDBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCc1ccn2cc[nH+]c2c1 ZINC000474923579 824817484 /nfs/dbraw/zinc/81/74/84/824817484.db2.gz GYMGUGWWYZKNTD-UHFFFAOYSA-N 1 2 368.349 1.873 20 5 FDBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000475577540 827940752 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356.386 1.318 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000486635814 538540629 /nfs/dbraw/zinc/54/06/29/538540629.db2.gz BOEWVPMAYWJYNP-AWEZNQCLSA-N 1 2 357.432 1.564 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000486635814 538540638 /nfs/dbraw/zinc/54/06/38/538540638.db2.gz BOEWVPMAYWJYNP-AWEZNQCLSA-N 1 2 357.432 1.564 20 5 FDBDLO CC1(C)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@@H]1O ZINC000275386155 181305940 /nfs/dbraw/zinc/30/59/40/181305940.db2.gz BTTVVUIJKJTWBU-AWEZNQCLSA-N 1 2 351.359 1.355 20 5 FDBDLO CC1(C)C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@@H]1O ZINC000275386155 181305941 /nfs/dbraw/zinc/30/59/41/181305941.db2.gz BTTVVUIJKJTWBU-AWEZNQCLSA-N 1 2 351.359 1.355 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000540613396 541080902 /nfs/dbraw/zinc/08/09/02/541080902.db2.gz RHIYDKZGZRZFCI-UHFFFAOYSA-N 1 2 365.430 1.899 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000540613396 541080903 /nfs/dbraw/zinc/08/09/03/541080903.db2.gz RHIYDKZGZRZFCI-UHFFFAOYSA-N 1 2 365.430 1.899 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000541784248 541265363 /nfs/dbraw/zinc/26/53/63/541265363.db2.gz XSICUDHSVWRMLE-ZDUSSCGKSA-N 1 2 350.400 1.953 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000275562661 181352691 /nfs/dbraw/zinc/35/26/91/181352691.db2.gz CXYYKMXYIDQPHE-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000275562661 181352695 /nfs/dbraw/zinc/35/26/95/181352695.db2.gz CXYYKMXYIDQPHE-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000543996590 541698825 /nfs/dbraw/zinc/69/88/25/541698825.db2.gz NDGNNNPOHWAIMU-UHFFFAOYSA-N 1 2 359.390 1.027 20 5 FDBDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544507897 541779217 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DDOWRFHYNFBHEG-UHFFFAOYSA-N 1 2 364.446 1.890 20 5 FDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000286878703 183165280 /nfs/dbraw/zinc/16/52/80/183165280.db2.gz DDOWRFHYNFBHEG-UHFFFAOYSA-N 1 2 364.446 1.890 20 5 FDBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000286851884 183159339 /nfs/dbraw/zinc/15/93/39/183159339.db2.gz BNZPWFRVCQZEBB-OAHLLOKOSA-N 1 2 363.462 1.415 20 5 FDBDLO C[C@H]([C@H](C)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000287177492 183228883 /nfs/dbraw/zinc/22/88/83/183228883.db2.gz DVEKUZCRLHGDJK-LSDHHAIUSA-N 1 2 364.446 1.888 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000287462274 183298449 /nfs/dbraw/zinc/29/84/49/183298449.db2.gz SBWPZRLCZPYBRB-RYUDHWBXSA-N 1 2 351.407 1.377 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000287462274 183298452 /nfs/dbraw/zinc/29/84/52/183298452.db2.gz SBWPZRLCZPYBRB-RYUDHWBXSA-N 1 2 351.407 1.377 20 5 FDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000022196032 211340561 /nfs/dbraw/zinc/34/05/61/211340561.db2.gz AWZALNCFBSNODD-LBPRGKRZSA-N 1 2 358.402 1.032 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)cc1C ZINC000295208536 184045773 /nfs/dbraw/zinc/04/57/73/184045773.db2.gz OSKPZTKZHMQXRA-UHFFFAOYSA-N 1 2 367.431 1.771 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295577673 184084387 /nfs/dbraw/zinc/08/43/87/184084387.db2.gz RTUDKZACTFRYNV-LBPRGKRZSA-N 1 2 366.761 1.794 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295577673 184084390 /nfs/dbraw/zinc/08/43/90/184084390.db2.gz RTUDKZACTFRYNV-LBPRGKRZSA-N 1 2 366.761 1.794 20 5 FDBDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298097299 184392115 /nfs/dbraw/zinc/39/21/15/184392115.db2.gz NEICKMWQJFLFRI-CQSZACIVSA-N 1 2 365.434 1.043 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)nn1 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CN(CC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079374727 172161534 /nfs/dbraw/zinc/16/15/34/172161534.db2.gz HPNKVFCVAJMCON-UHFFFAOYSA-N 1 2 369.425 1.770 20 5 FDBDLO CN(CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000080945577 172179451 /nfs/dbraw/zinc/17/94/51/172179451.db2.gz XKVSVOLDCLRIMR-HNNXBMFYSA-N 1 2 362.430 1.354 20 5 FDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000088213266 172229797 /nfs/dbraw/zinc/22/97/97/172229797.db2.gz RJMVFJDGBGGGEV-OAHLLOKOSA-N 1 2 374.441 1.292 20 5 FDBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554320 172266156 /nfs/dbraw/zinc/26/61/56/172266156.db2.gz UOBFZWYQZBDWTL-LBPRGKRZSA-N 1 2 363.399 1.316 20 5 FDBDLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554320 172266158 /nfs/dbraw/zinc/26/61/58/172266158.db2.gz UOBFZWYQZBDWTL-LBPRGKRZSA-N 1 2 363.399 1.316 20 5 FDBDLO COCCN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000091835466 172288698 /nfs/dbraw/zinc/28/86/98/172288698.db2.gz PHUYEIFMVYKSQK-UHFFFAOYSA-N 1 2 374.397 1.583 20 5 FDBDLO COCCN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000091835466 172288700 /nfs/dbraw/zinc/28/87/00/172288700.db2.gz PHUYEIFMVYKSQK-UHFFFAOYSA-N 1 2 374.397 1.583 20 5 FDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130783707 173180228 /nfs/dbraw/zinc/18/02/28/173180228.db2.gz UFCQHEHJEYXAPG-UHFFFAOYSA-N 1 2 359.386 1.231 20 5 FDBDLO Cn1cccc1[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000131604590 173208678 /nfs/dbraw/zinc/20/86/78/173208678.db2.gz ASSDIWJXXHZEGV-YOEHRIQHSA-N 1 2 361.398 1.747 20 5 FDBDLO Cn1cccc1[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000131604590 173208682 /nfs/dbraw/zinc/20/86/82/173208682.db2.gz ASSDIWJXXHZEGV-YOEHRIQHSA-N 1 2 361.398 1.747 20 5 FDBDLO Cn1cccc1[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000131604803 173208789 /nfs/dbraw/zinc/20/87/89/173208789.db2.gz ASSDIWJXXHZEGV-WMLDXEAASA-N 1 2 361.398 1.747 20 5 FDBDLO Cn1cccc1[C@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000131604803 173208791 /nfs/dbraw/zinc/20/87/91/173208791.db2.gz ASSDIWJXXHZEGV-WMLDXEAASA-N 1 2 361.398 1.747 20 5 FDBDLO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCn2c[nH+]cc2C1 ZINC000133882753 173314665 /nfs/dbraw/zinc/31/46/65/173314665.db2.gz YGZMEBLTEITREA-NSHDSACASA-N 1 2 353.342 1.778 20 5 FDBDLO O=C(NCCSCCCO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000135580391 173349022 /nfs/dbraw/zinc/34/90/22/173349022.db2.gz HLLJZOBAYXLEQE-UHFFFAOYSA-N 1 2 350.400 1.626 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000173752760 258309551 /nfs/dbraw/zinc/30/95/51/258309551.db2.gz MDZLKZAUJSJKDJ-INIZCTEOSA-N 1 2 369.443 1.221 20 5 FDBDLO CN(CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000173885992 258313482 /nfs/dbraw/zinc/31/34/82/258313482.db2.gz WAFAPPUVFCIOIW-UHFFFAOYSA-N 1 2 366.381 1.928 20 5 FDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174199748 258320788 /nfs/dbraw/zinc/32/07/88/258320788.db2.gz WOCZLDIMOWEJFS-LBPRGKRZSA-N 1 2 359.386 1.265 20 5 FDBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178631673 258330685 /nfs/dbraw/zinc/33/06/85/258330685.db2.gz QOTWJXNKOMHKIF-AWEZNQCLSA-N 1 2 373.438 1.448 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000178815847 258336297 /nfs/dbraw/zinc/33/62/97/258336297.db2.gz HFUCQCIXYIUBPP-KGLIPLIRSA-N 1 2 371.459 1.369 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000178815847 258336298 /nfs/dbraw/zinc/33/62/98/258336298.db2.gz HFUCQCIXYIUBPP-KGLIPLIRSA-N 1 2 371.459 1.369 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181918642 258378371 /nfs/dbraw/zinc/37/83/71/258378371.db2.gz SQVWLRGXQNZIAB-LBPRGKRZSA-N 1 2 371.340 1.789 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181918642 258378372 /nfs/dbraw/zinc/37/83/72/258378372.db2.gz SQVWLRGXQNZIAB-LBPRGKRZSA-N 1 2 371.340 1.789 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000193884437 258394042 /nfs/dbraw/zinc/39/40/42/258394042.db2.gz TUYVMRFMTSPBMY-UHFFFAOYSA-N 1 2 362.411 1.937 20 5 FDBDLO CC(C)(CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+]1CCS(=O)CC1 ZINC000278470389 258494628 /nfs/dbraw/zinc/49/46/28/258494628.db2.gz UJRSRNVYLCDYKH-UHFFFAOYSA-N 1 2 352.460 1.818 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000554684302 543852568 /nfs/dbraw/zinc/85/25/68/543852568.db2.gz WZNWDIHVLXHJTG-GFCCVEGCSA-N 1 2 362.361 1.518 20 5 FDBDLO COc1ccc(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000557360230 544282509 /nfs/dbraw/zinc/28/25/09/544282509.db2.gz VAMFUDGJTGBDGB-UHFFFAOYSA-N 1 2 369.337 1.506 20 5 FDBDLO NS(=O)(=O)c1cccc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000302037484 259038150 /nfs/dbraw/zinc/03/81/50/259038150.db2.gz PXYQHBUICBUKJN-UHFFFAOYSA-N 1 2 361.383 1.545 20 5 FDBDLO CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1[NH+]1CCOCC1 ZINC000331063171 259175093 /nfs/dbraw/zinc/17/50/93/259175093.db2.gz OQENHJJKWQKKFQ-CZUORRHYSA-N 1 2 363.414 1.786 20 5 FDBDLO CC[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1 ZINC000332105447 259241841 /nfs/dbraw/zinc/24/18/41/259241841.db2.gz DPEHUPCYIOXWCQ-UKRRQHHQSA-N 1 2 365.434 1.096 20 5 FDBDLO CC[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000332166467 259246836 /nfs/dbraw/zinc/24/68/36/259246836.db2.gz WZMNGYVBDVYBHP-CHWSQXEVSA-N 1 2 365.434 1.624 20 5 FDBDLO CC[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000332166467 259246837 /nfs/dbraw/zinc/24/68/37/259246837.db2.gz WZMNGYVBDVYBHP-CHWSQXEVSA-N 1 2 365.434 1.624 20 5 FDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000332311246 259256491 /nfs/dbraw/zinc/25/64/91/259256491.db2.gz LYZWVOVCPUTAAH-CYBMUJFWSA-N 1 2 355.416 1.300 20 5 FDBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000332311246 259256492 /nfs/dbraw/zinc/25/64/92/259256492.db2.gz LYZWVOVCPUTAAH-CYBMUJFWSA-N 1 2 355.416 1.300 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000361981723 259476405 /nfs/dbraw/zinc/47/64/05/259476405.db2.gz OPOFCQWUOUOTHO-HUUCEWRRSA-N 1 2 369.443 1.123 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000367790095 260091936 /nfs/dbraw/zinc/09/19/36/260091936.db2.gz GQGDZFRKTWDEEA-UHFFFAOYSA-N 1 2 352.372 1.313 20 5 FDBDLO CCOc1cccc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1[N+](=O)[O-] ZINC000368128756 260138406 /nfs/dbraw/zinc/13/84/06/260138406.db2.gz JRAQVSPBFXISAQ-OAHLLOKOSA-N 1 2 362.430 1.784 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368974497 260270922 /nfs/dbraw/zinc/27/09/22/260270922.db2.gz NSMDOYVBXQTJSZ-IETSOEAISA-N 1 2 362.386 1.128 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368974497 260270923 /nfs/dbraw/zinc/27/09/23/260270923.db2.gz NSMDOYVBXQTJSZ-IETSOEAISA-N 1 2 362.386 1.128 20 5 FDBDLO CCc1n[nH]c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)c1[N+](=O)[O-] ZINC000370067896 260482425 /nfs/dbraw/zinc/48/24/25/260482425.db2.gz RHMVHMSDCNVUKK-UHFFFAOYSA-N 1 2 351.407 1.255 20 5 FDBDLO NC(=O)C1([NH+]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CCCC1 ZINC000371929450 260790374 /nfs/dbraw/zinc/79/03/74/260790374.db2.gz ZTQPXAXJJWIOKL-UHFFFAOYSA-N 1 2 364.377 1.290 20 5 FDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373233009 260993431 /nfs/dbraw/zinc/99/34/31/260993431.db2.gz RXHGXAPGCFIXEI-BXUZGUMPSA-N 1 2 372.385 1.757 20 5 FDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373233009 260993432 /nfs/dbraw/zinc/99/34/32/260993432.db2.gz RXHGXAPGCFIXEI-BXUZGUMPSA-N 1 2 372.385 1.757 20 5 FDBDLO COc1cc(OCC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000374344736 261114430 /nfs/dbraw/zinc/11/44/30/261114430.db2.gz HZZILECSKBMGIT-OAHLLOKOSA-N 1 2 372.381 1.550 20 5 FDBDLO CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000374507840 261144808 /nfs/dbraw/zinc/14/48/08/261144808.db2.gz RWTHTKXJLQTYJS-CYBMUJFWSA-N 1 2 364.383 1.699 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)CC2 ZINC000374659805 261170441 /nfs/dbraw/zinc/17/04/41/261170441.db2.gz JADXFSYYYYVFKI-UHFFFAOYSA-N 1 2 353.342 1.336 20 5 FDBDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000376535042 261588140 /nfs/dbraw/zinc/58/81/40/261588140.db2.gz XSYVIRSHVYJFFD-GFCCVEGCSA-N 1 2 354.359 1.246 20 5 FDBDLO COC(=O)C[C@@H]1COCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000376535042 261588141 /nfs/dbraw/zinc/58/81/41/261588141.db2.gz XSYVIRSHVYJFFD-GFCCVEGCSA-N 1 2 354.359 1.246 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000271000909 674297166 /nfs/dbraw/zinc/29/71/66/674297166.db2.gz YMCHCQUPTNFGBV-ZDUSSCGKSA-N 1 2 366.761 1.414 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000271000909 674297167 /nfs/dbraw/zinc/29/71/67/674297167.db2.gz YMCHCQUPTNFGBV-ZDUSSCGKSA-N 1 2 366.761 1.414 20 5 FDBDLO CNc1cc2c(nn1)CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000612030444 491892394 /nfs/dbraw/zinc/89/23/94/491892394.db2.gz IKRLANNUCACAMF-ZDUSSCGKSA-N 1 2 359.386 1.225 20 5 FDBDLO CNc1cc2c(nn1)CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000612030444 491892396 /nfs/dbraw/zinc/89/23/96/491892396.db2.gz IKRLANNUCACAMF-ZDUSSCGKSA-N 1 2 359.386 1.225 20 5 FDBDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000014098579 518674036 /nfs/dbraw/zinc/67/40/36/518674036.db2.gz LJMXSTIEMRWUBF-STQMWFEESA-N 1 2 371.459 1.761 20 5 FDBDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000025530271 519068994 /nfs/dbraw/zinc/06/89/94/519068994.db2.gz GFWSDRVUOKUOQW-AWEZNQCLSA-N 1 2 361.398 1.759 20 5 FDBDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000025530271 519068998 /nfs/dbraw/zinc/06/89/98/519068998.db2.gz GFWSDRVUOKUOQW-AWEZNQCLSA-N 1 2 361.398 1.759 20 5 FDBDLO CCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000026660461 519132334 /nfs/dbraw/zinc/13/23/34/519132334.db2.gz MXXGRHQRIBMDIQ-ZDUSSCGKSA-N 1 2 355.416 1.093 20 5 FDBDLO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000026660461 519132342 /nfs/dbraw/zinc/13/23/42/519132342.db2.gz MXXGRHQRIBMDIQ-ZDUSSCGKSA-N 1 2 355.416 1.093 20 5 FDBDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000027348739 519170859 /nfs/dbraw/zinc/17/08/59/519170859.db2.gz VAHGOOXAHMWZHH-LBPRGKRZSA-N 1 2 361.402 1.094 20 5 FDBDLO COc1ccc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000027366693 519171118 /nfs/dbraw/zinc/17/11/18/519171118.db2.gz PJKPYZPABVXMDY-UHFFFAOYSA-N 1 2 367.402 1.209 20 5 FDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029094013 519266562 /nfs/dbraw/zinc/26/65/62/519266562.db2.gz NIEFNHMDZHIKHD-KRWDZBQOSA-N 1 2 358.398 1.737 20 5 FDBDLO CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032178324 519484139 /nfs/dbraw/zinc/48/41/39/519484139.db2.gz SAKUAYYQOKRRAQ-AWEZNQCLSA-N 1 2 357.370 1.521 20 5 FDBDLO CNc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000033237415 519582178 /nfs/dbraw/zinc/58/21/78/519582178.db2.gz NWRHOHKJVIBMTQ-UHFFFAOYSA-N 1 2 355.398 1.990 20 5 FDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000041935635 519673273 /nfs/dbraw/zinc/67/32/73/519673273.db2.gz ZQXCJZYHHRQYQD-CQSZACIVSA-N 1 2 350.419 1.775 20 5 FDBDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)NCc1ccccc1[N+](=O)[O-] ZINC000045622764 522122486 /nfs/dbraw/zinc/12/24/86/522122486.db2.gz ZMLGGZKUKGRWRU-UHFFFAOYSA-N 1 2 371.397 1.826 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000046036159 522210357 /nfs/dbraw/zinc/21/03/57/522210357.db2.gz MWEWMVCTEZEVEV-UHFFFAOYSA-N 1 2 350.400 1.843 20 5 FDBDLO O=c1[nH]cnc2cc(N3CCN(c4cccc[nH+]4)CC3)c([N+](=O)[O-])cc12 ZINC000072990692 522444822 /nfs/dbraw/zinc/44/48/22/522444822.db2.gz ROYZXPGHJDOOSF-UHFFFAOYSA-N 1 2 352.354 1.553 20 5 FDBDLO Cc1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000073292546 522505000 /nfs/dbraw/zinc/50/50/00/522505000.db2.gz UDWGGRJWLOHGCX-UHFFFAOYSA-N 1 2 364.427 1.957 20 5 FDBDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745172 522596850 /nfs/dbraw/zinc/59/68/50/522596850.db2.gz QFQRBTMKVOJVEE-WMLDXEAASA-N 1 2 362.430 1.401 20 5 FDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000051225943 522998647 /nfs/dbraw/zinc/99/86/47/522998647.db2.gz DSCMOUUUKJNSOG-UHFFFAOYSA-N 1 2 369.425 1.770 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067164729 523347222 /nfs/dbraw/zinc/34/72/22/523347222.db2.gz OFDAFEAGGILDKU-CYBMUJFWSA-N 1 2 359.386 1.231 20 5 FDBDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054987013 523730256 /nfs/dbraw/zinc/73/02/56/523730256.db2.gz OUAWIXZUZNIMGH-AWEZNQCLSA-N 1 2 357.370 1.888 20 5 FDBDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054987013 523730261 /nfs/dbraw/zinc/73/02/61/523730261.db2.gz OUAWIXZUZNIMGH-AWEZNQCLSA-N 1 2 357.370 1.888 20 5 FDBDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000055016011 523735165 /nfs/dbraw/zinc/73/51/65/523735165.db2.gz GCKPBKZJJLAEPS-JTQLQIEISA-N 1 2 359.329 1.915 20 5 FDBDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000055016011 523735169 /nfs/dbraw/zinc/73/51/69/523735169.db2.gz GCKPBKZJJLAEPS-JTQLQIEISA-N 1 2 359.329 1.915 20 5 FDBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000068766827 523856043 /nfs/dbraw/zinc/85/60/43/523856043.db2.gz WRKHTGAAEYUVRU-UHFFFAOYSA-N 1 2 373.460 1.225 20 5 FDBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000111345811 524267321 /nfs/dbraw/zinc/26/73/21/524267321.db2.gz GGAJCQULRSJTDR-UHFFFAOYSA-N 1 2 361.395 1.077 20 5 FDBDLO O=C(C1CC1)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000121531592 524284001 /nfs/dbraw/zinc/28/40/01/524284001.db2.gz MSOYPSRUYRFQAS-UHFFFAOYSA-N 1 2 361.398 1.906 20 5 FDBDLO O=C(C1CC1)N1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000121531592 524284007 /nfs/dbraw/zinc/28/40/07/524284007.db2.gz MSOYPSRUYRFQAS-UHFFFAOYSA-N 1 2 361.398 1.906 20 5 FDBDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157492299 524284702 /nfs/dbraw/zinc/28/47/02/524284702.db2.gz KOCKIHWDCATDMQ-UHFFFAOYSA-N 1 2 356.810 1.891 20 5 FDBDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157492299 524284707 /nfs/dbraw/zinc/28/47/07/524284707.db2.gz KOCKIHWDCATDMQ-UHFFFAOYSA-N 1 2 356.810 1.891 20 5 FDBDLO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)[nH+]c1 ZINC000174442776 524579068 /nfs/dbraw/zinc/57/90/68/524579068.db2.gz SVKAQYCHHUYONS-UHFFFAOYSA-N 1 2 357.370 1.798 20 5 FDBDLO Cc1sc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000112914461 524588815 /nfs/dbraw/zinc/58/88/15/524588815.db2.gz CLXVJHMVFKIYSU-CQSZACIVSA-N 1 2 354.476 1.967 20 5 FDBDLO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000123021603 524663645 /nfs/dbraw/zinc/66/36/45/524663645.db2.gz DELCLPAAZAHYSM-OAHLLOKOSA-N 1 2 357.432 1.062 20 5 FDBDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151782577 524681097 /nfs/dbraw/zinc/68/10/97/524681097.db2.gz IJBHOCPKAJEAKC-UHFFFAOYSA-N 1 2 350.400 1.675 20 5 FDBDLO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000159489958 524682499 /nfs/dbraw/zinc/68/24/99/524682499.db2.gz XCEBXAYRFLMGGH-ZBFHGGJFSA-N 1 2 363.414 1.798 20 5 FDBDLO O=C(C[N@H+]1CC[C@](O)(C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000174745810 524722362 /nfs/dbraw/zinc/72/23/62/524722362.db2.gz VFWMYXDCWOXNMB-CQSZACIVSA-N 1 2 359.304 1.483 20 5 FDBDLO O=C(C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000174745810 524722373 /nfs/dbraw/zinc/72/23/73/524722373.db2.gz VFWMYXDCWOXNMB-CQSZACIVSA-N 1 2 359.304 1.483 20 5 FDBDLO O=C(c1ccc(F)cc1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159696529 524723492 /nfs/dbraw/zinc/72/34/92/524723492.db2.gz CPJONVKFPBMOPO-UHFFFAOYSA-N 1 2 374.372 1.354 20 5 FDBDLO Cc1ccc(C(=O)N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1F ZINC000174823537 524748559 /nfs/dbraw/zinc/74/85/59/524748559.db2.gz KCPKTQXVVNZTDL-UHFFFAOYSA-N 1 2 361.377 1.697 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159907871 524766378 /nfs/dbraw/zinc/76/63/78/524766378.db2.gz GNEIBTMNBLSHAM-JTQLQIEISA-N 1 2 372.219 1.808 20 5 FDBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC000174866111 524766466 /nfs/dbraw/zinc/76/64/66/524766466.db2.gz DDFGSOALWQQLAG-UHFFFAOYSA-N 1 2 350.810 1.658 20 5 FDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000123653222 524799297 /nfs/dbraw/zinc/79/92/97/524799297.db2.gz PDNGXIBFKXGRPO-UHFFFAOYSA-N 1 2 366.374 1.640 20 5 FDBDLO COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c1 ZINC000092606635 524897791 /nfs/dbraw/zinc/89/77/91/524897791.db2.gz QTUKIFBQLYZHEP-UHFFFAOYSA-N 1 2 361.333 1.817 20 5 FDBDLO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161378436 525096360 /nfs/dbraw/zinc/09/63/60/525096360.db2.gz ICILWDXQMKGSQP-LLVKDONJSA-N 1 2 353.342 1.778 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000098117631 525207264 /nfs/dbraw/zinc/20/72/64/525207264.db2.gz GIHLIGVDUFUTSZ-UHFFFAOYSA-N 1 2 367.452 1.993 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)s1 ZINC000098117631 525207278 /nfs/dbraw/zinc/20/72/78/525207278.db2.gz GIHLIGVDUFUTSZ-UHFFFAOYSA-N 1 2 367.452 1.993 20 5 FDBDLO COCCOC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000116884400 525237985 /nfs/dbraw/zinc/23/79/85/525237985.db2.gz MSCACTGVXJLTCN-UHFFFAOYSA-N 1 2 351.403 1.969 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000177728499 525338630 /nfs/dbraw/zinc/33/86/30/525338630.db2.gz OKZXVEMUBRJBOH-UHFFFAOYSA-N 1 2 350.331 1.860 20 5 FDBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000178938922 525508482 /nfs/dbraw/zinc/50/84/82/525508482.db2.gz LWVPWZOPTOVSKB-UHFFFAOYSA-N 1 2 374.422 1.947 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000179882472 525642214 /nfs/dbraw/zinc/64/22/14/525642214.db2.gz DBYVRUJZCRLFIJ-SNVBAGLBSA-N 1 2 359.329 1.697 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000179882472 525642224 /nfs/dbraw/zinc/64/22/24/525642224.db2.gz DBYVRUJZCRLFIJ-SNVBAGLBSA-N 1 2 359.329 1.697 20 5 FDBDLO COc1cc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000154996217 525708708 /nfs/dbraw/zinc/70/87/08/525708708.db2.gz BOFRHAIKZJYIDN-UHFFFAOYSA-N 1 2 363.374 1.713 20 5 FDBDLO O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(Br)c1 ZINC000155048410 525724329 /nfs/dbraw/zinc/72/43/29/525724329.db2.gz HBROUDMFDZTJEO-LLVKDONJSA-N 1 2 361.192 1.429 20 5 FDBDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155067720 525729927 /nfs/dbraw/zinc/72/99/27/525729927.db2.gz MBPZJBDYJGGYSQ-UHFFFAOYSA-N 1 2 362.430 1.748 20 5 FDBDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155067720 525729939 /nfs/dbraw/zinc/72/99/39/525729939.db2.gz MBPZJBDYJGGYSQ-UHFFFAOYSA-N 1 2 362.430 1.748 20 5 FDBDLO C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133210088 526033931 /nfs/dbraw/zinc/03/39/31/526033931.db2.gz GQJLJNPUJJUMGL-OCCSQVGLSA-N 1 2 366.328 1.026 20 5 FDBDLO C[N@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133210088 526033944 /nfs/dbraw/zinc/03/39/44/526033944.db2.gz GQJLJNPUJJUMGL-OCCSQVGLSA-N 1 2 366.328 1.026 20 5 FDBDLO CCc1cc(NCCCS(N)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108854714 526035038 /nfs/dbraw/zinc/03/50/38/526035038.db2.gz VZQGAXZYODTLDM-UHFFFAOYSA-N 1 2 365.415 1.705 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[NH+]1CCOCC1 ZINC000133236616 526038190 /nfs/dbraw/zinc/03/81/90/526038190.db2.gz HPJHOBLKWFETFI-UHFFFAOYSA-N 1 2 372.219 1.348 20 5 FDBDLO CN(C)C(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000133535147 526068176 /nfs/dbraw/zinc/06/81/76/526068176.db2.gz OEJNMMFJUODVSO-UHFFFAOYSA-N 1 2 372.429 1.795 20 5 FDBDLO CC(C)c1nc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000171863226 526155591 /nfs/dbraw/zinc/15/55/91/526155591.db2.gz ORGGFSVRZLAEDF-UHFFFAOYSA-N 1 2 365.415 1.899 20 5 FDBDLO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000109819956 526192656 /nfs/dbraw/zinc/19/26/56/526192656.db2.gz VCKIKBRHBSYERV-HNNXBMFYSA-N 1 2 362.430 1.720 20 5 FDBDLO O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000109819956 526192662 /nfs/dbraw/zinc/19/26/62/526192662.db2.gz VCKIKBRHBSYERV-HNNXBMFYSA-N 1 2 362.430 1.720 20 5 FDBDLO O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000109819956 526192672 /nfs/dbraw/zinc/19/26/72/526192672.db2.gz VCKIKBRHBSYERV-HNNXBMFYSA-N 1 2 362.430 1.720 20 5 FDBDLO CCOc1cccc(N2CC[NH+](CC(=O)N(CC)CC)CC2)c1[N+](=O)[O-] ZINC000183138628 535926583 /nfs/dbraw/zinc/92/65/83/535926583.db2.gz WJWTXFUONPZFCJ-UHFFFAOYSA-N 1 2 364.446 1.984 20 5 FDBDLO C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000184424881 536150383 /nfs/dbraw/zinc/15/03/83/536150383.db2.gz PCSYGZQUCJAKCB-STQMWFEESA-N 1 2 357.432 1.123 20 5 FDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000186008172 536223523 /nfs/dbraw/zinc/22/35/23/536223523.db2.gz QZSXNBWJEHSFCG-AWEZNQCLSA-N 1 2 368.821 1.864 20 5 FDBDLO CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000186234942 536229472 /nfs/dbraw/zinc/22/94/72/536229472.db2.gz DZRLXXMFLMUASX-CYBMUJFWSA-N 1 2 374.401 1.586 20 5 FDBDLO CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000186234942 536229473 /nfs/dbraw/zinc/22/94/73/536229473.db2.gz DZRLXXMFLMUASX-CYBMUJFWSA-N 1 2 374.401 1.586 20 5 FDBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2)CC1 ZINC000187016605 536252604 /nfs/dbraw/zinc/25/26/04/536252604.db2.gz RFZDFAYYZFBUCA-UHFFFAOYSA-N 1 2 371.397 1.695 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187303190 536261188 /nfs/dbraw/zinc/26/11/88/536261188.db2.gz HQNKAHSKNNOBIK-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187303190 536261189 /nfs/dbraw/zinc/26/11/89/536261189.db2.gz HQNKAHSKNNOBIK-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO CCCN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000187859430 536276710 /nfs/dbraw/zinc/27/67/10/536276710.db2.gz 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CVVJRAGZKAEOHC-STQMWFEESA-N 1 2 358.398 1.982 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)CO1 ZINC000597994986 552854297 /nfs/dbraw/zinc/85/42/97/552854297.db2.gz CVVJRAGZKAEOHC-STQMWFEESA-N 1 2 358.398 1.982 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597994701 552854364 /nfs/dbraw/zinc/85/43/64/552854364.db2.gz JULMOEFAYZTHAH-UONOGXRCSA-N 1 2 363.414 1.783 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000597994701 552854366 /nfs/dbraw/zinc/85/43/66/552854366.db2.gz JULMOEFAYZTHAH-UONOGXRCSA-N 1 2 363.414 1.783 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000598175218 552872385 /nfs/dbraw/zinc/87/23/85/552872385.db2.gz JYVRIPKNGQPLSP-KBPBESRZSA-N 1 2 369.381 1.521 20 5 FDBDLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c(C)c1[N+](=O)[O-] ZINC000598600388 552913691 /nfs/dbraw/zinc/91/36/91/552913691.db2.gz AXTXNCMVULHRQR-UHFFFAOYSA-N 1 2 359.473 1.539 20 5 FDBDLO C[C@@H]1C[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000598903147 552942351 /nfs/dbraw/zinc/94/23/51/552942351.db2.gz KZXXDQDDLALWDW-ZWNOBZJWSA-N 1 2 358.358 1.735 20 5 FDBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947261 552950280 /nfs/dbraw/zinc/95/02/80/552950280.db2.gz KNTXNFAFXNFDDM-CYBMUJFWSA-N 1 2 357.370 1.042 20 5 FDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598947744 552950494 /nfs/dbraw/zinc/95/04/94/552950494.db2.gz NJVMNQBULQTCPV-AAEUAGOBSA-N 1 2 373.369 1.120 20 5 FDBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000598949963 552950631 /nfs/dbraw/zinc/95/06/31/552950631.db2.gz YFMOFQMJTPHVIE-NSHDSACASA-N 1 2 362.411 1.621 20 5 FDBDLO O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])N1 ZINC000599053619 552962867 /nfs/dbraw/zinc/96/28/67/552962867.db2.gz GOWYWVUYOITPOZ-PIGZYNQJSA-N 1 2 355.354 1.933 20 5 FDBDLO CN(CCN1CCCS1(=O)=O)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599056318 552963371 /nfs/dbraw/zinc/96/33/71/552963371.db2.gz WTMNBGBVBBARDR-UHFFFAOYSA-N 1 2 350.400 1.615 20 5 FDBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599107691 552968591 /nfs/dbraw/zinc/96/85/91/552968591.db2.gz RHCZYXRRNWCOAM-MRVPVSSYSA-N 1 2 370.214 1.168 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)n1 ZINC000599129564 552970951 /nfs/dbraw/zinc/97/09/51/552970951.db2.gz AGUGGTCCCOVBNN-KRWDZBQOSA-N 1 2 350.419 1.634 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)n1 ZINC000599129564 552970953 /nfs/dbraw/zinc/97/09/53/552970953.db2.gz AGUGGTCCCOVBNN-KRWDZBQOSA-N 1 2 350.419 1.634 20 5 FDBDLO COc1cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c([N+](=O)[O-])cc1C ZINC000599130162 552971472 /nfs/dbraw/zinc/97/14/72/552971472.db2.gz PWSCKTSWOWDEMK-SFHVURJKSA-N 1 2 365.430 1.940 20 5 FDBDLO COc1cc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c([N+](=O)[O-])cc1C ZINC000599130162 552971473 /nfs/dbraw/zinc/97/14/73/552971473.db2.gz PWSCKTSWOWDEMK-SFHVURJKSA-N 1 2 365.430 1.940 20 5 FDBDLO Cc1cc(N2CCO[C@@H](CC(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599186377 552980409 /nfs/dbraw/zinc/98/04/09/552980409.db2.gz DHAHCWWFHGYAHQ-AWEZNQCLSA-N 1 2 357.370 1.441 20 5 FDBDLO CNS(=O)(=O)C[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599201193 552984075 /nfs/dbraw/zinc/98/40/75/552984075.db2.gz FWMYVHJUOTWMPF-LBPRGKRZSA-N 1 2 364.427 1.909 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000599205267 552985021 /nfs/dbraw/zinc/98/50/21/552985021.db2.gz VZHUNFUHPSYJAI-GFCCVEGCSA-N 1 2 371.394 1.049 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000599207950 552986019 /nfs/dbraw/zinc/98/60/19/552986019.db2.gz UUAHZDLTMZYBJC-ZDUSSCGKSA-N 1 2 365.415 1.006 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000599207950 552986020 /nfs/dbraw/zinc/98/60/20/552986020.db2.gz UUAHZDLTMZYBJC-ZDUSSCGKSA-N 1 2 365.415 1.006 20 5 FDBDLO COC(=O)c1cnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000599262450 553007608 /nfs/dbraw/zinc/00/76/08/553007608.db2.gz FWSMZEHBLIGGNW-UHFFFAOYSA-N 1 2 357.370 1.494 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000599498226 553074063 /nfs/dbraw/zinc/07/40/63/553074063.db2.gz BAUOQNLDTQZCEH-UHFFFAOYSA-N 1 2 369.443 1.389 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632001 553107824 /nfs/dbraw/zinc/10/78/24/553107824.db2.gz OIFSYJVMORFGCH-CDEUHXGRSA-N 1 2 351.428 1.827 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632001 553107826 /nfs/dbraw/zinc/10/78/26/553107826.db2.gz OIFSYJVMORFGCH-CDEUHXGRSA-N 1 2 351.428 1.827 20 5 FDBDLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000599685365 553121264 /nfs/dbraw/zinc/12/12/64/553121264.db2.gz OSAFSVOPGICTKS-GXTWGEPZSA-N 1 2 372.341 1.956 20 5 FDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829858 553157449 /nfs/dbraw/zinc/15/74/49/553157449.db2.gz NIFRFSRTQMYIOS-ZDUSSCGKSA-N 1 2 372.429 1.900 20 5 FDBDLO Cc1c[nH]c(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000600107798 553219360 /nfs/dbraw/zinc/21/93/60/553219360.db2.gz YDGBINGTVKWEGL-UHFFFAOYSA-N 1 2 365.415 1.133 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000600233506 553233923 /nfs/dbraw/zinc/23/39/23/553233923.db2.gz ZUKTWFBFABTULZ-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000600233506 553233925 /nfs/dbraw/zinc/23/39/25/553233925.db2.gz ZUKTWFBFABTULZ-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO COC(=O)[C@](C)(NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000600522736 553280414 /nfs/dbraw/zinc/28/04/14/553280414.db2.gz IOGUHSRVPATWOI-PIGZYNQJSA-N 1 2 360.370 1.701 20 5 FDBDLO COC(=O)[C@](C)(NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000600522736 553280416 /nfs/dbraw/zinc/28/04/16/553280416.db2.gz IOGUHSRVPATWOI-PIGZYNQJSA-N 1 2 360.370 1.701 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000600532689 553281577 /nfs/dbraw/zinc/28/15/77/553281577.db2.gz CZXIBBMRNGKWKZ-SGTLLEGYSA-N 1 2 372.381 1.558 20 5 FDBDLO COC(=O)[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000600539134 553282183 /nfs/dbraw/zinc/28/21/83/553282183.db2.gz YKGNLQUERJLXCB-HBUWYVDXSA-N 1 2 372.381 1.636 20 5 FDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600683536 553299693 /nfs/dbraw/zinc/29/96/93/553299693.db2.gz PWJVPAMTILOHHH-QGZVFWFLSA-N 1 2 370.409 1.550 20 5 FDBDLO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600683536 553299695 /nfs/dbraw/zinc/29/96/95/553299695.db2.gz PWJVPAMTILOHHH-QGZVFWFLSA-N 1 2 370.409 1.550 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601425097 553402373 /nfs/dbraw/zinc/40/23/73/553402373.db2.gz UCBPKUKUMBMGSD-OAHLLOKOSA-N 1 2 369.443 1.221 20 5 FDBDLO C[C@](CO)(NC(=O)C1CC[NH+](CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000601779403 553474319 /nfs/dbraw/zinc/47/43/19/553474319.db2.gz RFEPELSBMPZDHH-QGZVFWFLSA-N 1 2 371.384 1.896 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000602201621 553538637 /nfs/dbraw/zinc/53/86/37/553538637.db2.gz ZEYRMAXSRRWSPR-UHFFFAOYSA-N 1 2 370.409 1.999 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602304192 553560398 /nfs/dbraw/zinc/56/03/98/553560398.db2.gz WGOIMVZOJNSVIB-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602304192 553560400 /nfs/dbraw/zinc/56/04/00/553560400.db2.gz WGOIMVZOJNSVIB-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000602767529 553633588 /nfs/dbraw/zinc/63/35/88/553633588.db2.gz RGTYRLGVQMYVFA-UHFFFAOYSA-N 1 2 361.377 1.697 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000602809116 553642303 /nfs/dbraw/zinc/64/23/03/553642303.db2.gz FVWHRHVQPCPHNR-LBPRGKRZSA-N 1 2 350.448 1.935 20 5 FDBDLO C[C@@H]1[C@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)N1C ZINC000602846332 553649382 /nfs/dbraw/zinc/64/93/82/553649382.db2.gz FUTPCWLSSNYCQV-RFGFWPKPSA-N 1 2 351.403 1.274 20 5 FDBDLO C[C@@H]1[C@H](C)[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)N1C ZINC000602846332 553649385 /nfs/dbraw/zinc/64/93/85/553649385.db2.gz FUTPCWLSSNYCQV-RFGFWPKPSA-N 1 2 351.403 1.274 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609134651 554341034 /nfs/dbraw/zinc/34/10/34/554341034.db2.gz DNYFPKRFFIXRJV-OAHLLOKOSA-N 1 2 350.400 1.958 20 5 FDBDLO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000609178391 554346241 /nfs/dbraw/zinc/34/62/41/554346241.db2.gz XDQRYSDBQSGYFF-LBPRGKRZSA-N 1 2 365.386 1.222 20 5 FDBDLO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000609178391 554346246 /nfs/dbraw/zinc/34/62/46/554346246.db2.gz XDQRYSDBQSGYFF-LBPRGKRZSA-N 1 2 365.386 1.222 20 5 FDBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H](C)[NH+]1CCOCC1 ZINC000609192057 554347738 /nfs/dbraw/zinc/34/77/38/554347738.db2.gz QEVJISCVDUNCHH-RYUDHWBXSA-N 1 2 365.386 1.205 20 5 FDBDLO O=C(NCCCN1CCCCC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609299071 554361500 /nfs/dbraw/zinc/36/15/00/554361500.db2.gz RUGPAKLBTTYEQV-UHFFFAOYSA-N 1 2 371.397 1.913 20 5 FDBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618972 554402656 /nfs/dbraw/zinc/40/26/56/554402656.db2.gz RTMKFKWPQWUNLV-UHFFFAOYSA-N 1 2 365.305 1.477 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cn1 ZINC000610128893 554465160 /nfs/dbraw/zinc/46/51/60/554465160.db2.gz OUQAJMOOWAUKRI-UHFFFAOYSA-N 1 2 352.358 1.292 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000610133572 554465815 /nfs/dbraw/zinc/46/58/15/554465815.db2.gz JQYALFNTLDCCAB-UHFFFAOYSA-N 1 2 356.382 1.215 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c1 ZINC000610278271 554486403 /nfs/dbraw/zinc/48/64/03/554486403.db2.gz XYSAIWRUNBWTQM-UHFFFAOYSA-N 1 2 362.430 1.960 20 5 FDBDLO Cn1cc[nH+]c1C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000610304100 554489646 /nfs/dbraw/zinc/48/96/46/554489646.db2.gz KQUFBRXLKYKFIG-AWEZNQCLSA-N 1 2 354.370 1.625 20 5 FDBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610304713 554489845 /nfs/dbraw/zinc/48/98/45/554489845.db2.gz YLRGCSOIMXSHQO-OAHLLOKOSA-N 1 2 354.370 1.625 20 5 FDBDLO CCn1cc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c([N+](=O)[O-])n1 ZINC000611028840 554597452 /nfs/dbraw/zinc/59/74/52/554597452.db2.gz XBJAPOUUDXEROA-UHFFFAOYSA-N 1 2 354.392 1.097 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000611224697 554616845 /nfs/dbraw/zinc/61/68/45/554616845.db2.gz OMSAOKCNCGUXRC-ZDUSSCGKSA-N 1 2 355.354 1.227 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NCc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611560911 554646558 /nfs/dbraw/zinc/64/65/58/554646558.db2.gz CFXSXXXQTYPGIB-OAHLLOKOSA-N 1 2 354.374 1.529 20 5 FDBDLO Cc1ccnc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000612070969 554730254 /nfs/dbraw/zinc/73/02/54/554730254.db2.gz KHMGAKOIKHSDTB-AWEZNQCLSA-N 1 2 374.397 1.608 20 5 FDBDLO Cc1ccnc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000612070969 554730257 /nfs/dbraw/zinc/73/02/57/554730257.db2.gz KHMGAKOIKHSDTB-AWEZNQCLSA-N 1 2 374.397 1.608 20 5 FDBDLO C[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@](=O)C1 ZINC000617895789 555537342 /nfs/dbraw/zinc/53/73/42/555537342.db2.gz OCVMPKDMLGANKN-YDBLSZJJSA-N 1 2 367.427 1.593 20 5 FDBDLO C[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@](=O)C1 ZINC000617895789 555537344 /nfs/dbraw/zinc/53/73/44/555537344.db2.gz OCVMPKDMLGANKN-YDBLSZJJSA-N 1 2 367.427 1.593 20 5 FDBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC(C)(F)C3)c([N+](=O)[O-])c2)CC1 ZINC000619500479 555790621 /nfs/dbraw/zinc/79/06/21/555790621.db2.gz CMWSWKUQUMFEEK-UHFFFAOYSA-N 1 2 372.422 1.079 20 5 FDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619778166 555832850 /nfs/dbraw/zinc/83/28/50/555832850.db2.gz NUHYXIUYRUXUJR-LBPRGKRZSA-N 1 2 350.766 1.013 20 5 FDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000619874120 555847273 /nfs/dbraw/zinc/84/72/73/555847273.db2.gz YUNMDILTKNKKAE-QGZVFWFLSA-N 1 2 361.446 1.293 20 5 FDBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000619874120 555847275 /nfs/dbraw/zinc/84/72/75/555847275.db2.gz YUNMDILTKNKKAE-QGZVFWFLSA-N 1 2 361.446 1.293 20 5 FDBDLO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](C)[NH+]1CCOCC1 ZINC000272226669 674423052 /nfs/dbraw/zinc/42/30/52/674423052.db2.gz 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Cc1sc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000478864951 685926894 /nfs/dbraw/zinc/92/68/94/685926894.db2.gz AXWIIPPUAKACIN-CYBMUJFWSA-N 1 2 369.443 1.528 20 5 FDBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000480013303 686119638 /nfs/dbraw/zinc/11/96/38/686119638.db2.gz JJWKWUPVAOZMFW-LLVKDONJSA-N 1 2 363.399 1.609 20 5 FDBDLO C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000483024337 686457912 /nfs/dbraw/zinc/45/79/12/686457912.db2.gz QGTYNSMLYKDERO-LLVKDONJSA-N 1 2 366.399 1.286 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000493898763 687469281 /nfs/dbraw/zinc/46/92/81/687469281.db2.gz YWMOJQMYCOUOGL-VHSXEESVSA-N 1 2 361.395 1.456 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000493898763 687469285 /nfs/dbraw/zinc/46/92/85/687469285.db2.gz YWMOJQMYCOUOGL-VHSXEESVSA-N 1 2 361.395 1.456 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])c(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000479200823 783004061 /nfs/dbraw/zinc/00/40/61/783004061.db2.gz WYDVFVZJCMJQKL-UHFFFAOYSA-N 1 2 366.418 1.212 20 5 FDBDLO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000748129557 773222447 /nfs/dbraw/zinc/22/24/47/773222447.db2.gz RKYRPUGXMPKALO-MRXNPFEDSA-N 1 2 360.370 1.236 20 5 FDBDLO O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000748129557 773222449 /nfs/dbraw/zinc/22/24/49/773222449.db2.gz RKYRPUGXMPKALO-MRXNPFEDSA-N 1 2 360.370 1.236 20 5 FDBDLO O=[N+]([O-])c1ccc2[nH]c(=Nc3cnn(CC[NH+]4CCOCC4)c3)[nH]c2c1 ZINC000450310412 781366604 /nfs/dbraw/zinc/36/66/04/781366604.db2.gz AKKZWBFRFHBLSG-UHFFFAOYSA-N 1 2 357.374 1.165 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000177192077 785195994 /nfs/dbraw/zinc/19/59/94/785195994.db2.gz VJYITCSIECQSAE-GFCCVEGCSA-N 1 2 367.377 1.752 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375948689 785356059 /nfs/dbraw/zinc/35/60/59/785356059.db2.gz PYNIFCUCRKKEGG-CQSZACIVSA-N 1 2 371.397 1.464 20 5 FDBDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000376539157 788268485 /nfs/dbraw/zinc/26/84/85/788268485.db2.gz HJBJQGUXAGTNPU-CYBMUJFWSA-N 1 2 365.386 1.496 20 5 FDBDLO COC(=O)C[C@@H]1COCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000376539157 788268494 /nfs/dbraw/zinc/26/84/94/788268494.db2.gz HJBJQGUXAGTNPU-CYBMUJFWSA-N 1 2 365.386 1.496 20 5 FDBDLO CCc1nn(C)c(N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c1[N+](=O)[O-] ZINC000377177465 791176312 /nfs/dbraw/zinc/17/63/12/791176312.db2.gz UYZNPIHUAYICBX-UHFFFAOYSA-N 1 2 364.450 1.201 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776827 792016679 /nfs/dbraw/zinc/01/66/79/792016679.db2.gz GIYVQIBNAMDOPM-NSIVTLKISA-N 1 2 368.393 1.553 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776827 792016696 /nfs/dbraw/zinc/01/66/96/792016696.db2.gz GIYVQIBNAMDOPM-NSIVTLKISA-N 1 2 368.393 1.553 20 5 FDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000517664438 794143413 /nfs/dbraw/zinc/14/34/13/794143413.db2.gz YZUZAXUETLNGOG-RYUDHWBXSA-N 1 2 361.358 1.194 20 5 FDBDLO Cc1cc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)ccc1[N+](=O)[O-] ZINC000378563410 794325775 /nfs/dbraw/zinc/32/57/75/794325775.db2.gz MBGDRQXSGHZKEM-UHFFFAOYSA-N 1 2 360.414 1.282 20 5 FDBDLO Cc1cc(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)ccc1[N+](=O)[O-] ZINC000378563410 794325777 /nfs/dbraw/zinc/32/57/77/794325777.db2.gz MBGDRQXSGHZKEM-UHFFFAOYSA-N 1 2 360.414 1.282 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cccc3nsnc32)CC1 ZINC000981137576 807577119 /nfs/dbraw/zinc/57/71/19/807577119.db2.gz YAQVEJITAOEYIL-TZMCWYRMSA-N 1 2 361.427 1.391 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2cccc3nsnc32)CC1 ZINC000981137576 807577124 /nfs/dbraw/zinc/57/71/24/807577124.db2.gz YAQVEJITAOEYIL-TZMCWYRMSA-N 1 2 361.427 1.391 20 5 FDBDLO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH+]1CCOCC1 ZINC000433780129 811448913 /nfs/dbraw/zinc/44/89/13/811448913.db2.gz AIDIXEQYPRETSB-IUODEOHRSA-N 1 2 359.386 1.802 20 5 FDBDLO O=C(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)Nc1cccnc1 ZINC000506466996 817832279 /nfs/dbraw/zinc/83/22/79/817832279.db2.gz GMYAIOSZPREPSX-UHFFFAOYSA-N 1 2 366.337 1.544 20 5 FDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000894802014 818459415 /nfs/dbraw/zinc/45/94/15/818459415.db2.gz LOHREALWPCAROP-ZIAGYGMSSA-N 1 2 366.393 1.746 20 5 FDBDLO O=C(NC[C@@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449899488 829719308 /nfs/dbraw/zinc/71/93/08/829719308.db2.gz HKJWRUQLDJVRFM-MRXNPFEDSA-N 1 2 360.370 1.298 20 5 FDBDLO CC(C)C(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450250433 829895227 /nfs/dbraw/zinc/89/52/27/829895227.db2.gz KBCVHEGTTWILOL-UHFFFAOYSA-N 1 2 359.386 1.673 20 5 FDBDLO O=C(N[C@@H](CCO)C1CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450627213 830045907 /nfs/dbraw/zinc/04/59/07/830045907.db2.gz HTMYLEHEKXRXSW-HNNXBMFYSA-N 1 2 374.397 1.688 20 5 FDBDLO Cn1ccnc1C(=O)c1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000532089770 830952185 /nfs/dbraw/zinc/95/21/85/830952185.db2.gz UQMIMLJRXBHDCX-UHFFFAOYSA-N 1 2 352.354 1.817 20 5 FDBDLO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC001168298969 841118096 /nfs/dbraw/zinc/11/80/96/841118096.db2.gz BKXMYTBHWHITPD-LLVKDONJSA-N 1 2 371.382 1.935 20 5 FDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000923912175 842066140 /nfs/dbraw/zinc/06/61/40/842066140.db2.gz WLJMFPQJIJGWDR-OAHLLOKOSA-N 1 2 350.419 1.813 20 5 FDBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000111169867 842597036 /nfs/dbraw/zinc/59/70/36/842597036.db2.gz ICQYUUHPSCKCHZ-MRXNPFEDSA-N 1 2 370.413 1.898 20 5 FDBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000111169867 842597040 /nfs/dbraw/zinc/59/70/40/842597040.db2.gz ICQYUUHPSCKCHZ-MRXNPFEDSA-N 1 2 370.413 1.898 20 5 FDBDLO O=C([C@H]1Cc2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000478422301 843758867 /nfs/dbraw/zinc/75/88/67/843758867.db2.gz REJHCKYATLVHAG-QGZVFWFLSA-N 1 2 369.425 1.841 20 5 FDBDLO O=C([C@H]1Cc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCCC1 ZINC000478422301 843758876 /nfs/dbraw/zinc/75/88/76/843758876.db2.gz REJHCKYATLVHAG-QGZVFWFLSA-N 1 2 369.425 1.841 20 5 FDBDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000486010970 853374492 /nfs/dbraw/zinc/37/44/92/853374492.db2.gz ADJNVARISGIYAV-BETUJISGSA-N 1 2 374.401 1.434 20 5 FDBDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000486010970 853374499 /nfs/dbraw/zinc/37/44/99/853374499.db2.gz ADJNVARISGIYAV-BETUJISGSA-N 1 2 374.401 1.434 20 5 FDBDLO C/C(=C/C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C[NH+]1CCOCC1 ZINC000907803478 854634832 /nfs/dbraw/zinc/63/48/32/854634832.db2.gz ZJQXQHVZDPWFCE-OWBHPGMISA-N 1 2 363.418 1.233 20 5 FDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896952 860988915 /nfs/dbraw/zinc/98/89/15/860988915.db2.gz HQDLNVKRADJHLT-UHFFFAOYSA-N 1 2 353.350 1.221 20 5 FDBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896952 860988924 /nfs/dbraw/zinc/98/89/24/860988924.db2.gz HQDLNVKRADJHLT-UHFFFAOYSA-N 1 2 353.350 1.221 20 5 FDBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000060391663 864353979 /nfs/dbraw/zinc/35/39/79/864353979.db2.gz FOJOVKYHZFCPRJ-HNNXBMFYSA-N 1 2 362.430 1.598 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766044093 881952496 /nfs/dbraw/zinc/95/24/96/881952496.db2.gz ZKSBYIGUWFNOMY-UHFFFAOYSA-N 1 2 360.388 1.034 20 5 FDBDLO Cc1ccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000913754271 869570762 /nfs/dbraw/zinc/57/07/62/869570762.db2.gz KUVXHURFCHERNB-UHFFFAOYSA-N 1 2 372.425 1.967 20 5 FDBDLO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCC1([NH+]2CCCC2)COC1 ZINC001168445564 870220828 /nfs/dbraw/zinc/22/08/28/870220828.db2.gz XPRGBKUELOSNKN-UHFFFAOYSA-N 1 2 350.375 1.362 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])c(NCC2([NH+]3CCCC3)COC2)cc1OC ZINC001168451558 871321485 /nfs/dbraw/zinc/32/14/85/871321485.db2.gz PCHHAXAODKVBJQ-UHFFFAOYSA-N 1 2 365.386 1.667 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272424346 877405892 /nfs/dbraw/zinc/40/58/92/877405892.db2.gz MMDNLLZDYMOWCJ-JTQLQIEISA-N 1 2 374.344 1.490 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272424346 877405898 /nfs/dbraw/zinc/40/58/98/877405898.db2.gz MMDNLLZDYMOWCJ-JTQLQIEISA-N 1 2 374.344 1.490 20 5 FDBDLO Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)sc1C ZINC001035704297 886329069 /nfs/dbraw/zinc/32/90/69/886329069.db2.gz JVVOUAZXDUIRET-ZIAGYGMSSA-N 1 2 364.471 1.850 20 5 FDBDLO O=C(NCC1C[NH+](Cc2cc(Cl)cc3c2OCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662357 886990612 /nfs/dbraw/zinc/99/06/12/886990612.db2.gz CJEPFNQKMWAXCP-HUUCEWRRSA-N 1 2 365.817 1.488 20 5 FDBDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000921414824 887915392 /nfs/dbraw/zinc/91/53/92/887915392.db2.gz XVWWPCRLEWLECL-QMMMGPOBSA-N 1 2 364.221 1.340 20 5 FDBDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000921414824 887915394 /nfs/dbraw/zinc/91/53/94/887915394.db2.gz XVWWPCRLEWLECL-QMMMGPOBSA-N 1 2 364.221 1.340 20 5 FDBDLO Cn1c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc2ccccc21 ZINC001002783355 893940158 /nfs/dbraw/zinc/94/01/58/893940158.db2.gz RSVBJNRWBGPFPT-CZUORRHYSA-N 1 2 357.414 1.319 20 5 FDBDLO O=C(NC1CC[NH+](Cc2csc(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002783419 893940838 /nfs/dbraw/zinc/94/08/38/893940838.db2.gz SHXUWDXEEMZSLK-ZIAGYGMSSA-N 1 2 350.444 1.766 20 5 FDBDLO COc1cc(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)ncn1 ZINC000763940384 900848648 /nfs/dbraw/zinc/84/86/48/900848648.db2.gz QDIAEEXIBVFKAR-OAHLLOKOSA-N 1 2 359.386 1.249 20 5 FDBDLO CC(C)Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC000996440869 903890334 /nfs/dbraw/zinc/89/03/34/903890334.db2.gz NQMLHAXWGLSPGV-CHWSQXEVSA-N 1 2 351.407 1.014 20 5 FDBDLO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000764936388 906013838 /nfs/dbraw/zinc/01/38/38/906013838.db2.gz LGIHLCUEXYJSRN-UHFFFAOYSA-N 1 2 360.414 1.764 20 5 FDBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000731609357 918268763 /nfs/dbraw/zinc/26/87/63/918268763.db2.gz PNLFCYDCINAYOE-LLVKDONJSA-N 1 2 362.342 1.196 20 5 FDBDLO C[N@H+](CCn1cccn1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732186742 919202571 /nfs/dbraw/zinc/20/25/71/919202571.db2.gz ZOZYQMAQTNAQCE-UHFFFAOYSA-N 1 2 358.358 1.149 20 5 FDBDLO C[N@@H+](CCn1cccn1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732186742 919202585 /nfs/dbraw/zinc/20/25/85/919202585.db2.gz ZOZYQMAQTNAQCE-UHFFFAOYSA-N 1 2 358.358 1.149 20 5 FDBDLO CC(C)(C)c1cnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001086084513 925920662 /nfs/dbraw/zinc/92/06/62/925920662.db2.gz UJVDMKCKFCIPGF-YVECIDJPSA-N 1 2 350.419 1.622 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)cc1F ZINC000866982374 928163382 /nfs/dbraw/zinc/16/33/82/928163382.db2.gz OTJOREBKAIRDSM-UHFFFAOYSA-N 1 2 356.379 1.950 20 5 FDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001169018250 928238509 /nfs/dbraw/zinc/23/85/09/928238509.db2.gz ACKJARXPUVSDKO-QXCFHYIPSA-N 1 2 360.458 1.802 20 5 FDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001169018250 928238521 /nfs/dbraw/zinc/23/85/21/928238521.db2.gz ACKJARXPUVSDKO-QXCFHYIPSA-N 1 2 360.458 1.802 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C[NH2+]1 ZINC001169131275 928291440 /nfs/dbraw/zinc/29/14/40/928291440.db2.gz XNIKUJHTPYSFGJ-YGRLFVJLSA-N 1 2 359.342 1.493 20 5 FDBDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@]1(CO)CCOC1 ZINC001169208483 928343033 /nfs/dbraw/zinc/34/30/33/928343033.db2.gz UQLULEWGCPJMNI-OAHLLOKOSA-N 1 2 368.777 1.881 20 5 FDBDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@]1(CO)CCOC1 ZINC001169208483 928343050 /nfs/dbraw/zinc/34/30/50/928343050.db2.gz UQLULEWGCPJMNI-OAHLLOKOSA-N 1 2 368.777 1.881 20 5 FDBDLO O=C(OCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000771900393 930966855 /nfs/dbraw/zinc/96/68/55/930966855.db2.gz NILJTRASVCRUSV-LLVKDONJSA-N 1 2 362.317 1.527 20 5 FDBDLO C[N@H+](CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000772056625 931035389 /nfs/dbraw/zinc/03/53/89/931035389.db2.gz ALZLPQWHPQCARX-NSHDSACASA-N 1 2 353.400 1.514 20 5 FDBDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000772056625 931035397 /nfs/dbraw/zinc/03/53/97/931035397.db2.gz ALZLPQWHPQCARX-NSHDSACASA-N 1 2 353.400 1.514 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCCOCCc2ccccc2)CC1 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O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000129315384 173134136 /nfs/dbraw/zinc/13/41/36/173134136.db2.gz QNTHDNMTYCTADN-UHFFFAOYSA-N 1 2 362.411 1.642 20 5 FDBDLO Cc1nn(CCC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c(C)c1[N+](=O)[O-] ZINC000130705534 173178572 /nfs/dbraw/zinc/17/85/72/173178572.db2.gz TWAXJMAUKVALAU-HNNXBMFYSA-N 1 2 372.429 1.978 20 5 FDBDLO CCN(CC)c1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)c[nH+]1 ZINC000133535160 173267475 /nfs/dbraw/zinc/26/74/75/173267475.db2.gz LCQKRCWKRDQFJJ-UHFFFAOYSA-N 1 2 361.406 1.532 20 5 FDBDLO CC(C)(CNC(=O)COc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000135361899 173343272 /nfs/dbraw/zinc/34/32/72/173343272.db2.gz WKEFQBNNEMAJCN-UHFFFAOYSA-N 1 2 355.366 1.340 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135744142 173352724 /nfs/dbraw/zinc/35/27/24/173352724.db2.gz UOQOXCGJCYZZMN-HNNXBMFYSA-N 1 2 369.443 1.603 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135744142 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BRJFQGFDDVJRLE-GFCCVEGCSA-N 1 2 352.416 1.888 20 5 FDBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176203338 174057940 /nfs/dbraw/zinc/05/79/40/174057940.db2.gz BRJFQGFDDVJRLE-GFCCVEGCSA-N 1 2 352.416 1.888 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000180933426 174197087 /nfs/dbraw/zinc/19/70/87/174197087.db2.gz BJAGTCAQZGBURN-LBPRGKRZSA-N 1 2 371.397 1.727 20 5 FDBDLO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173973572 258315723 /nfs/dbraw/zinc/31/57/23/258315723.db2.gz PRCCTTHMRXKPBL-CZUORRHYSA-N 1 2 365.455 1.866 20 5 FDBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[NH+]2CCN1CC2 ZINC000178655235 258331057 /nfs/dbraw/zinc/33/10/57/258331057.db2.gz DXOJEZNCOKNXGK-ZDUSSCGKSA-N 1 2 368.821 1.133 20 5 FDBDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000179211614 258346274 /nfs/dbraw/zinc/34/62/74/258346274.db2.gz WHWIXZIWMLKNEI-UHFFFAOYSA-N 1 2 367.365 1.902 20 5 FDBDLO Cn1nc2c(cc1=O)C[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000179211614 258346275 /nfs/dbraw/zinc/34/62/75/258346275.db2.gz WHWIXZIWMLKNEI-UHFFFAOYSA-N 1 2 367.365 1.902 20 5 FDBDLO Cc1nnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1C1CC1 ZINC000183443697 258379381 /nfs/dbraw/zinc/37/93/81/258379381.db2.gz KZQHJJWUGRAROH-UHFFFAOYSA-N 1 2 367.369 1.945 20 5 FDBDLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184616899 258382170 /nfs/dbraw/zinc/38/21/70/258382170.db2.gz YTDRIZRWWDRLLM-RYUDHWBXSA-N 1 2 351.403 1.918 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000279315216 258546902 /nfs/dbraw/zinc/54/69/02/258546902.db2.gz NVHIMUDHWUSRQT-AWEZNQCLSA-N 1 2 350.419 1.210 20 5 FDBDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1O ZINC000553897940 543714166 /nfs/dbraw/zinc/71/41/66/543714166.db2.gz ZMVZHOSKVCAQMQ-QWHCGFSZSA-N 1 2 371.459 1.475 20 5 FDBDLO 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CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000363700864 259646477 /nfs/dbraw/zinc/64/64/77/259646477.db2.gz ZUKTZBZXJBEWMW-UHFFFAOYSA-N 1 2 363.414 1.875 20 5 FDBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367260801 260017632 /nfs/dbraw/zinc/01/76/32/260017632.db2.gz SDYOARMIYJWHOL-INIZCTEOSA-N 1 2 355.398 1.965 20 5 FDBDLO CCOC1CC(CNc2ccc(N)cc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000367799222 260093469 /nfs/dbraw/zinc/09/34/69/260093469.db2.gz AGJAPRNKFRZTOP-UHFFFAOYSA-N 1 2 350.419 1.859 20 5 FDBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000368021265 260124400 /nfs/dbraw/zinc/12/44/00/260124400.db2.gz QYGDUXYAVJRRKQ-GFCCVEGCSA-N 1 2 371.340 1.743 20 5 FDBDLO Cn1c(=O)c2ccccc2nc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368473619 260187824 /nfs/dbraw/zinc/18/78/24/260187824.db2.gz ITZFCXOPFKNGNT-UHFFFAOYSA-N 1 2 368.397 1.875 20 5 FDBDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000368838042 260246298 /nfs/dbraw/zinc/24/62/98/260246298.db2.gz IWLZXKWYSMECRE-UHFFFAOYSA-N 1 2 369.809 1.534 20 5 FDBDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000368838042 260246299 /nfs/dbraw/zinc/24/62/99/260246299.db2.gz IWLZXKWYSMECRE-UHFFFAOYSA-N 1 2 369.809 1.534 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000368839830 260246321 /nfs/dbraw/zinc/24/63/21/260246321.db2.gz ZDYHVPIPMSUSFW-UHFFFAOYSA-N 1 2 362.430 1.576 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000368839830 260246322 /nfs/dbraw/zinc/24/63/22/260246322.db2.gz ZDYHVPIPMSUSFW-UHFFFAOYSA-N 1 2 362.430 1.576 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000368891168 260256155 /nfs/dbraw/zinc/25/61/55/260256155.db2.gz AFKWHXNLSSYOBR-CYBMUJFWSA-N 1 2 350.375 1.142 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000368891168 260256156 /nfs/dbraw/zinc/25/61/56/260256156.db2.gz AFKWHXNLSSYOBR-CYBMUJFWSA-N 1 2 350.375 1.142 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368966025 260269388 /nfs/dbraw/zinc/26/93/88/260269388.db2.gz MZVHOSVGUUEPNJ-BCUIYNNISA-N 1 2 360.414 1.816 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368966025 260269389 /nfs/dbraw/zinc/26/93/89/260269389.db2.gz MZVHOSVGUUEPNJ-BCUIYNNISA-N 1 2 360.414 1.816 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000369042193 260285050 /nfs/dbraw/zinc/28/50/50/260285050.db2.gz SVAFCJYXNCOUAP-OAHLLOKOSA-N 1 2 368.777 1.761 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000369042193 260285052 /nfs/dbraw/zinc/28/50/52/260285052.db2.gz SVAFCJYXNCOUAP-OAHLLOKOSA-N 1 2 368.777 1.761 20 5 FDBDLO Cc1cc(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000369488585 260376394 /nfs/dbraw/zinc/37/63/94/260376394.db2.gz VBKORMRFGRTDHJ-UHFFFAOYSA-N 1 2 373.394 1.962 20 5 FDBDLO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)CC1 ZINC000372240635 260834945 /nfs/dbraw/zinc/83/49/45/260834945.db2.gz JODXHMCGKNXREE-OAHLLOKOSA-N 1 2 362.430 1.541 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000373760294 261037887 /nfs/dbraw/zinc/03/78/87/261037887.db2.gz KOKAYABHPODAMP-UHFFFAOYSA-N 1 2 364.446 1.636 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000373760294 261037888 /nfs/dbraw/zinc/03/78/88/261037888.db2.gz KOKAYABHPODAMP-UHFFFAOYSA-N 1 2 364.446 1.636 20 5 FDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374390829 261123343 /nfs/dbraw/zinc/12/33/43/261123343.db2.gz WJXNMRQPEGIXCB-HNNXBMFYSA-N 1 2 352.354 1.653 20 5 FDBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375227931 261292625 /nfs/dbraw/zinc/29/26/25/261292625.db2.gz DWXVPIIVKIEXGV-USXIJHARSA-N 1 2 364.398 1.405 20 5 FDBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375227931 261292626 /nfs/dbraw/zinc/29/26/26/261292626.db2.gz DWXVPIIVKIEXGV-USXIJHARSA-N 1 2 364.398 1.405 20 5 FDBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000375535007 261364810 /nfs/dbraw/zinc/36/48/10/261364810.db2.gz XXHMGVGFDDNVOR-AWIAWAOOSA-N 1 2 369.381 1.478 20 5 FDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000375623179 261384697 /nfs/dbraw/zinc/38/46/97/261384697.db2.gz IOKACWPPLAGOGM-CJNGLKHVSA-N 1 2 369.443 1.220 20 5 FDBDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000007437231 518420112 /nfs/dbraw/zinc/42/01/12/518420112.db2.gz GEFLYWDELKRBKM-LBPRGKRZSA-N 1 2 365.386 1.817 20 5 FDBDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000007437231 518420117 /nfs/dbraw/zinc/42/01/17/518420117.db2.gz GEFLYWDELKRBKM-LBPRGKRZSA-N 1 2 365.386 1.817 20 5 FDBDLO Cc1cc(N)nc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[nH+]1 ZINC000026558697 519129210 /nfs/dbraw/zinc/12/92/10/519129210.db2.gz KHLCGQIWZSOEER-UHFFFAOYSA-N 1 2 363.355 1.735 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000026840933 519140812 /nfs/dbraw/zinc/14/08/12/519140812.db2.gz OCOWFXGMDQXTAT-MCIONIFRSA-N 1 2 371.459 1.679 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000026840933 519140820 /nfs/dbraw/zinc/14/08/20/519140820.db2.gz OCOWFXGMDQXTAT-MCIONIFRSA-N 1 2 371.459 1.679 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000026958158 519150671 /nfs/dbraw/zinc/15/06/71/519150671.db2.gz HJYCUANQNHMMLB-CQSZACIVSA-N 1 2 371.459 1.538 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000026958158 519150678 /nfs/dbraw/zinc/15/06/78/519150678.db2.gz HJYCUANQNHMMLB-CQSZACIVSA-N 1 2 371.459 1.538 20 5 FDBDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000027617347 519188540 /nfs/dbraw/zinc/18/85/40/519188540.db2.gz WHCYMTJTQUOYOZ-UHFFFAOYSA-N 1 2 362.361 1.879 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000032437913 519503049 /nfs/dbraw/zinc/50/30/49/519503049.db2.gz KHQVYJFQHDQXDY-UHFFFAOYSA-N 1 2 350.400 1.843 20 5 FDBDLO O=C(NCCc1cn2ccccc2[nH+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041244989 519649120 /nfs/dbraw/zinc/64/91/20/519649120.db2.gz OLWQZVXBLUGQJN-UHFFFAOYSA-N 1 2 353.338 1.540 20 5 FDBDLO CC(=O)NCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000044635575 521976471 /nfs/dbraw/zinc/97/64/71/521976471.db2.gz QAJLVFZIQWYPAY-UHFFFAOYSA-N 1 2 371.397 1.769 20 5 FDBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000046724894 522340183 /nfs/dbraw/zinc/34/01/83/522340183.db2.gz JZYCBSKXAAFDNC-UHFFFAOYSA-N 1 2 358.354 1.245 20 5 FDBDLO CCOc1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000046888051 522378513 /nfs/dbraw/zinc/37/85/13/522378513.db2.gz QLUTVBBOCYLZHY-GFCCVEGCSA-N 1 2 367.402 1.453 20 5 FDBDLO O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000063069749 522550920 /nfs/dbraw/zinc/55/09/20/522550920.db2.gz NWMDKLXDDAOJRY-UHFFFAOYSA-N 1 2 371.397 1.826 20 5 FDBDLO O=c1n2ccccc2nn1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745619 522595192 /nfs/dbraw/zinc/59/51/92/522595192.db2.gz BQJXSTYYQZYNIR-UHFFFAOYSA-N 1 2 368.397 1.226 20 5 FDBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)COc2ccc([N+](=O)[O-])cc2)no1 ZINC000065757389 522876885 /nfs/dbraw/zinc/87/68/85/522876885.db2.gz MAGKVLKVFACXPL-UHFFFAOYSA-N 1 2 363.374 1.470 20 5 FDBDLO CC(C)(C(=O)NCc1[nH+]ccn1CC(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000075709742 522961227 /nfs/dbraw/zinc/96/12/27/522961227.db2.gz VDPZVJACVORPED-UHFFFAOYSA-N 1 2 360.296 1.602 20 5 FDBDLO COc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000051234292 523000438 /nfs/dbraw/zinc/00/04/38/523000438.db2.gz YWDSTDCPPDVQIS-UHFFFAOYSA-N 1 2 362.430 1.343 20 5 FDBDLO CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000066608156 523133437 /nfs/dbraw/zinc/13/34/37/523133437.db2.gz PNDKRQMMPIWWNC-OAHLLOKOSA-N 1 2 357.432 1.230 20 5 FDBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1csc([N+](=O)[O-])c1 ZINC000052845352 523285023 /nfs/dbraw/zinc/28/50/23/523285023.db2.gz KXJOPQATSLNGKB-CQSZACIVSA-N 1 2 357.457 1.594 20 5 FDBDLO O=C(NCc1cn2ccccc2[nH+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067134459 523330922 /nfs/dbraw/zinc/33/09/22/523330922.db2.gz HSHLZSBOWWHZKA-UHFFFAOYSA-N 1 2 363.337 1.753 20 5 FDBDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053196363 523368321 /nfs/dbraw/zinc/36/83/21/523368321.db2.gz WYLMARCXXCFTHF-JXMROGBWSA-N 1 2 374.441 1.621 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078619566 523619932 /nfs/dbraw/zinc/61/99/32/523619932.db2.gz QXASSYUZVCZYSJ-LLVKDONJSA-N 1 2 357.370 1.074 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078619566 523619942 /nfs/dbraw/zinc/61/99/42/523619942.db2.gz QXASSYUZVCZYSJ-LLVKDONJSA-N 1 2 357.370 1.074 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121160739 524171034 /nfs/dbraw/zinc/17/10/34/524171034.db2.gz BWLWKMVXXKZSFM-ZDUSSCGKSA-N 1 2 360.414 1.866 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121160739 524171039 /nfs/dbraw/zinc/17/10/39/524171039.db2.gz BWLWKMVXXKZSFM-ZDUSSCGKSA-N 1 2 360.414 1.866 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@H](N2CCCC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000111295613 524254518 /nfs/dbraw/zinc/25/45/18/524254518.db2.gz JVWZBYCETFTTMZ-INIZCTEOSA-N 1 2 372.425 1.571 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H](N2CCCC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000111295613 524254528 /nfs/dbraw/zinc/25/45/28/524254528.db2.gz JVWZBYCETFTTMZ-INIZCTEOSA-N 1 2 372.425 1.571 20 5 FDBDLO Cn1cc(C(=O)NCCc2c[nH+]cn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121596715 524305100 /nfs/dbraw/zinc/30/51/00/524305100.db2.gz BKPGQUSBXGYQMN-UHFFFAOYSA-N 1 2 354.370 1.701 20 5 FDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174493130 524603956 /nfs/dbraw/zinc/60/39/56/524603956.db2.gz IGCPAOQDAXAZJQ-CYBMUJFWSA-N 1 2 359.386 1.408 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159336615 524645132 /nfs/dbraw/zinc/64/51/32/524645132.db2.gz SJNWFVYQBLHAHR-ZDUSSCGKSA-N 1 2 362.411 1.855 20 5 FDBDLO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)CC1 ZINC000159414424 524663392 /nfs/dbraw/zinc/66/33/92/524663392.db2.gz UIASENVGRTYQNS-HNNXBMFYSA-N 1 2 362.430 1.543 20 5 FDBDLO NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000174714756 524700166 /nfs/dbraw/zinc/70/01/66/524700166.db2.gz ITPBKMGNVODXCM-LBPRGKRZSA-N 1 2 357.370 1.508 20 5 FDBDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000123223098 524706593 /nfs/dbraw/zinc/70/65/93/524706593.db2.gz BWKUSDQPAPABJD-UHFFFAOYSA-N 1 2 370.413 1.423 20 5 FDBDLO O=C(Cn1nccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000123364952 524737299 /nfs/dbraw/zinc/73/72/99/524737299.db2.gz AFVOHKIPWJFICD-UHFFFAOYSA-N 1 2 371.397 1.071 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(NC(N)=O)CC1 ZINC000174921727 524798928 /nfs/dbraw/zinc/79/89/28/524798928.db2.gz ZDEDQOVJNLXHCY-SECBINFHSA-N 1 2 369.809 1.708 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1C ZINC000123674743 524806062 /nfs/dbraw/zinc/80/60/62/524806062.db2.gz HGAAUSHZQBVUAR-HNNXBMFYSA-N 1 2 369.443 1.353 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1C ZINC000123674743 524806065 /nfs/dbraw/zinc/80/60/65/524806065.db2.gz HGAAUSHZQBVUAR-HNNXBMFYSA-N 1 2 369.443 1.353 20 5 FDBDLO NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000116580673 525177631 /nfs/dbraw/zinc/17/76/31/525177631.db2.gz IFQBMJWDMJKQJH-ZDUSSCGKSA-N 1 2 357.370 1.651 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000125856829 525245236 /nfs/dbraw/zinc/24/52/36/525245236.db2.gz ZLWOACHFEJLYBK-TZMCWYRMSA-N 1 2 357.432 1.209 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000125856829 525245245 /nfs/dbraw/zinc/24/52/45/525245245.db2.gz ZLWOACHFEJLYBK-TZMCWYRMSA-N 1 2 357.432 1.209 20 5 FDBDLO COCCN1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117334478 525323583 /nfs/dbraw/zinc/32/35/83/525323583.db2.gz BKRROFHIACWABL-UHFFFAOYSA-N 1 2 364.402 1.157 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000117369267 525327618 /nfs/dbraw/zinc/32/76/18/525327618.db2.gz FTQARTNJGHAMTI-GFCCVEGCSA-N 1 2 357.432 1.244 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000117369267 525327619 /nfs/dbraw/zinc/32/76/19/525327619.db2.gz FTQARTNJGHAMTI-GFCCVEGCSA-N 1 2 357.432 1.244 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000153917268 525362909 /nfs/dbraw/zinc/36/29/09/525362909.db2.gz SIUPIAABBRYLOD-MRXNPFEDSA-N 1 2 365.405 1.990 20 5 FDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153939543 525368827 /nfs/dbraw/zinc/36/88/27/525368827.db2.gz FZYKSHWZFLOGRK-GFCCVEGCSA-N 1 2 367.837 1.776 20 5 FDBDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154942316 525691632 /nfs/dbraw/zinc/69/16/32/525691632.db2.gz GYVCVZPQZVRCNQ-JTQLQIEISA-N 1 2 365.340 1.991 20 5 FDBDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000154942316 525691639 /nfs/dbraw/zinc/69/16/39/525691639.db2.gz GYVCVZPQZVRCNQ-JTQLQIEISA-N 1 2 365.340 1.991 20 5 FDBDLO CC(C)(C)NC(=O)CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000131008540 525817673 /nfs/dbraw/zinc/81/76/73/525817673.db2.gz YEGZGPYPODICLR-UHFFFAOYSA-N 1 2 362.430 1.590 20 5 FDBDLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000131008540 525817682 /nfs/dbraw/zinc/81/76/82/525817682.db2.gz YEGZGPYPODICLR-UHFFFAOYSA-N 1 2 362.430 1.590 20 5 FDBDLO Cc1cc(=O)n2nc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)sc2n1 ZINC000131298007 525842708 /nfs/dbraw/zinc/84/27/08/525842708.db2.gz KOMAIZRGMADMRW-UHFFFAOYSA-N 1 2 357.395 1.926 20 5 FDBDLO Cc1cc(=O)n2nc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)sc2n1 ZINC000131298007 525842712 /nfs/dbraw/zinc/84/27/12/525842712.db2.gz KOMAIZRGMADMRW-UHFFFAOYSA-N 1 2 357.395 1.926 20 5 FDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000181739043 525914231 /nfs/dbraw/zinc/91/42/31/525914231.db2.gz HSDLPVLNBSYGSG-AWEZNQCLSA-N 1 2 367.471 1.851 20 5 FDBDLO Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000171331555 525950700 /nfs/dbraw/zinc/95/07/00/525950700.db2.gz REMIYZPOMGHUEX-CYBMUJFWSA-N 1 2 367.369 1.425 20 5 FDBDLO O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000171415223 525983822 /nfs/dbraw/zinc/98/38/22/525983822.db2.gz QVRZRSODMRNXFG-UHFFFAOYSA-N 1 2 363.399 1.448 20 5 FDBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000184199267 536114079 /nfs/dbraw/zinc/11/40/79/536114079.db2.gz RSIINBIADMYGLX-GOSISDBHSA-N 1 2 370.409 1.980 20 5 FDBDLO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000184385604 536142946 /nfs/dbraw/zinc/14/29/46/536142946.db2.gz JBPOGLLBLYWZHQ-LLVKDONJSA-N 1 2 356.810 1.768 20 5 FDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185164861 536200875 /nfs/dbraw/zinc/20/08/75/536200875.db2.gz RBUGKASXDYFKIH-ZDUSSCGKSA-N 1 2 350.419 1.640 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186434567 536234492 /nfs/dbraw/zinc/23/44/92/536234492.db2.gz RRIDMRNRUVIBHT-UHFFFAOYSA-N 1 2 358.402 1.624 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1CCO ZINC000187254914 536258982 /nfs/dbraw/zinc/25/89/82/536258982.db2.gz MUEQZFXASOJISP-JTQLQIEISA-N 1 2 372.219 1.496 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCO ZINC000187254914 536258981 /nfs/dbraw/zinc/25/89/81/536258981.db2.gz MUEQZFXASOJISP-JTQLQIEISA-N 1 2 372.219 1.496 20 5 FDBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000187295962 536260787 /nfs/dbraw/zinc/26/07/87/536260787.db2.gz BLDXKJIPSYGIQU-SUMWQHHRSA-N 1 2 351.403 1.325 20 5 FDBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000187295962 536260788 /nfs/dbraw/zinc/26/07/88/536260788.db2.gz BLDXKJIPSYGIQU-SUMWQHHRSA-N 1 2 351.403 1.325 20 5 FDBDLO CC[N@H+](CC(N)=O)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000188059025 536281572 /nfs/dbraw/zinc/28/15/72/536281572.db2.gz FOBVLQSBGPAPAN-UHFFFAOYSA-N 1 2 365.308 1.852 20 5 FDBDLO CC[N@@H+](CC(N)=O)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000188059025 536281573 /nfs/dbraw/zinc/28/15/73/536281573.db2.gz FOBVLQSBGPAPAN-UHFFFAOYSA-N 1 2 365.308 1.852 20 5 FDBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000188375554 536291589 /nfs/dbraw/zinc/29/15/89/536291589.db2.gz PJEONEKEXGIJEP-HNNXBMFYSA-N 1 2 364.446 1.566 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1C ZINC000246329026 536928693 /nfs/dbraw/zinc/92/86/93/536928693.db2.gz ZQMNZDARPWMMHM-KGLIPLIRSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1C ZINC000246329026 536928697 /nfs/dbraw/zinc/92/86/97/536928697.db2.gz ZQMNZDARPWMMHM-KGLIPLIRSA-N 1 2 371.459 1.287 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246631496 536993773 /nfs/dbraw/zinc/99/37/73/536993773.db2.gz ZMGNFLPUUDPKDQ-CPUCHLNUSA-N 1 2 362.430 1.574 20 5 FDBDLO COC[C@H](C)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000189536616 537061971 /nfs/dbraw/zinc/06/19/71/537061971.db2.gz SYIPZFYWYIJJSA-CYBMUJFWSA-N 1 2 357.432 1.184 20 5 FDBDLO COc1cccc([C@H](Nc2ncc([N+](=O)[O-])c(N)n2)c2[nH+]ccn2C)c1 ZINC000248138545 537168825 /nfs/dbraw/zinc/16/88/25/537168825.db2.gz OQOTXDPBUNTCHA-ZDUSSCGKSA-N 1 2 355.358 1.911 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)n1 ZINC000191799850 537212836 /nfs/dbraw/zinc/21/28/36/537212836.db2.gz FJEGNTUHGVVRDV-UHFFFAOYSA-N 1 2 373.413 1.778 20 5 FDBDLO O=C(CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC1CC1 ZINC000193727857 537255032 /nfs/dbraw/zinc/25/50/32/537255032.db2.gz FKFMKQONDZUOAH-UHFFFAOYSA-N 1 2 357.370 1.569 20 5 FDBDLO CSc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000363710739 537292459 /nfs/dbraw/zinc/29/24/59/537292459.db2.gz OPNJKBRYBAPTOI-ZDUSSCGKSA-N 1 2 351.428 1.863 20 5 FDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c([N+](=O)[O-])c1 ZINC000293024800 537298476 /nfs/dbraw/zinc/29/84/76/537298476.db2.gz QZVNEMVRMLJTJU-AWEZNQCLSA-N 1 2 362.346 1.424 20 5 FDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c([N+](=O)[O-])c1 ZINC000293024800 537298485 /nfs/dbraw/zinc/29/84/85/537298485.db2.gz QZVNEMVRMLJTJU-AWEZNQCLSA-N 1 2 362.346 1.424 20 5 FDBDLO CC(C)C(=O)NC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298777198 537311940 /nfs/dbraw/zinc/31/19/40/537311940.db2.gz VZWRPZITCJLHKE-UHFFFAOYSA-N 1 2 362.430 1.794 20 5 FDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000285973141 537392986 /nfs/dbraw/zinc/39/29/86/537392986.db2.gz NPKQEKBPIZOULY-PBHICJAKSA-N 1 2 362.430 1.353 20 5 FDBDLO O=C1CCCN1[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273145734 537401834 /nfs/dbraw/zinc/40/18/34/537401834.db2.gz KYMLPYUSKRVYEX-CQSZACIVSA-N 1 2 367.427 1.065 20 5 FDBDLO O=C1CCCN1[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273145734 537401846 /nfs/dbraw/zinc/40/18/46/537401846.db2.gz KYMLPYUSKRVYEX-CQSZACIVSA-N 1 2 367.427 1.065 20 5 FDBDLO COCCOC[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273335967 537432872 /nfs/dbraw/zinc/43/28/72/537432872.db2.gz MVCXNWUKZFLZRE-AWEZNQCLSA-N 1 2 372.443 1.353 20 5 FDBDLO COCCOC[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273335967 537432879 /nfs/dbraw/zinc/43/28/79/537432879.db2.gz MVCXNWUKZFLZRE-AWEZNQCLSA-N 1 2 372.443 1.353 20 5 FDBDLO COCCc1noc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000273392985 537447061 /nfs/dbraw/zinc/44/70/61/537447061.db2.gz VDSUZDJTUHSEKS-GFCCVEGCSA-N 1 2 366.374 1.038 20 5 FDBDLO COCCc1noc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000273392985 537447069 /nfs/dbraw/zinc/44/70/69/537447069.db2.gz VDSUZDJTUHSEKS-GFCCVEGCSA-N 1 2 366.374 1.038 20 5 FDBDLO O=[N+]([O-])c1cc2c(c(-c3nc([C@@H]4C[N@@H+](C5CC5)CCO4)no3)c1)OCCO2 ZINC000350048672 537465746 /nfs/dbraw/zinc/46/57/46/537465746.db2.gz MTIYRGLMQFLKGA-AWEZNQCLSA-N 1 2 374.353 1.952 20 5 FDBDLO O=[N+]([O-])c1cc2c(c(-c3nc([C@@H]4C[N@H+](C5CC5)CCO4)no3)c1)OCCO2 ZINC000350048672 537465757 /nfs/dbraw/zinc/46/57/57/537465757.db2.gz MTIYRGLMQFLKGA-AWEZNQCLSA-N 1 2 374.353 1.952 20 5 FDBDLO CCNc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000308690267 537604580 /nfs/dbraw/zinc/60/45/80/537604580.db2.gz KTBAEHBRNMQEPZ-UHFFFAOYSA-N 1 2 350.419 1.867 20 5 FDBDLO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000293883180 537616776 /nfs/dbraw/zinc/61/67/76/537616776.db2.gz DFFCWZDAESBYHU-UHFFFAOYSA-N 1 2 356.382 1.962 20 5 FDBDLO CC(C)NC(=O)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296513379 537714714 /nfs/dbraw/zinc/71/47/14/537714714.db2.gz MCXMSWAENHJDAL-UHFFFAOYSA-N 1 2 357.414 1.790 20 5 FDBDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000298281064 537718830 /nfs/dbraw/zinc/71/88/30/537718830.db2.gz XCPYRNQWGJLGQH-UHFFFAOYSA-N 1 2 365.386 1.960 20 5 FDBDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000298281064 537718833 /nfs/dbraw/zinc/71/88/33/537718833.db2.gz XCPYRNQWGJLGQH-UHFFFAOYSA-N 1 2 365.386 1.960 20 5 FDBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CCC2 ZINC000366722723 537832499 /nfs/dbraw/zinc/83/24/99/537832499.db2.gz YEFBRVMCBYWGJS-LBPRGKRZSA-N 1 2 357.370 1.732 20 5 FDBDLO 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552685058 /nfs/dbraw/zinc/68/50/58/552685058.db2.gz GUPHMXJKMGKDGS-LJQANCHMSA-N 1 2 372.425 1.974 20 5 FDBDLO Cc1ccnc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596514436 552685059 /nfs/dbraw/zinc/68/50/59/552685059.db2.gz GUPHMXJKMGKDGS-LJQANCHMSA-N 1 2 372.425 1.974 20 5 FDBDLO O=C1C[N@H+](CCOc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)CCN1 ZINC000596634272 552695443 /nfs/dbraw/zinc/69/54/43/552695443.db2.gz HXMTZSZKQLRAKH-UHFFFAOYSA-N 1 2 371.393 1.565 20 5 FDBDLO O=C1C[N@@H+](CCOc2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)CCN1 ZINC000596634272 552695444 /nfs/dbraw/zinc/69/54/44/552695444.db2.gz HXMTZSZKQLRAKH-UHFFFAOYSA-N 1 2 371.393 1.565 20 5 FDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597707769 552824601 /nfs/dbraw/zinc/82/46/01/552824601.db2.gz RRWSSESNGNMWMB-GFCCVEGCSA-N 1 2 369.368 1.739 20 5 FDBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000597858148 552841347 /nfs/dbraw/zinc/84/13/47/552841347.db2.gz 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ZINC000125206756 525165394 /nfs/dbraw/zinc/16/53/94/525165394.db2.gz VBLXNJNQZPVAJA-CQSZACIVSA-N 1 2 374.397 1.954 20 5 FDBDLO Cc1sc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000125724160 525230477 /nfs/dbraw/zinc/23/04/77/525230477.db2.gz CUCWLWACAGYLNX-LLVKDONJSA-N 1 2 368.440 1.917 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1C ZINC000125832794 525240619 /nfs/dbraw/zinc/24/06/19/525240619.db2.gz CQEOGUFNDKOFTR-OCCSQVGLSA-N 1 2 357.432 1.209 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000125832794 525240626 /nfs/dbraw/zinc/24/06/26/525240626.db2.gz CQEOGUFNDKOFTR-OCCSQVGLSA-N 1 2 357.432 1.209 20 5 FDBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000103494045 525362029 /nfs/dbraw/zinc/36/20/29/525362029.db2.gz BCPUYGPIGPCBEG-HNNXBMFYSA-N 1 2 364.446 1.254 20 5 FDBDLO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000103494045 525362031 /nfs/dbraw/zinc/36/20/31/525362031.db2.gz BCPUYGPIGPCBEG-HNNXBMFYSA-N 1 2 364.446 1.254 20 5 FDBDLO CN(C)c1ncncc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178323755 525412246 /nfs/dbraw/zinc/41/22/46/525412246.db2.gz FBEWNPAHJPFVBD-UHFFFAOYSA-N 1 2 353.342 1.889 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178405316 525421590 /nfs/dbraw/zinc/42/15/90/525421590.db2.gz AJJLMBIBNVHVDQ-UHFFFAOYSA-N 1 2 362.367 1.730 20 5 FDBDLO CCC[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000166021050 525568150 /nfs/dbraw/zinc/56/81/50/525568150.db2.gz CBZSJNMXOLIOIM-CQSZACIVSA-N 1 2 371.459 1.716 20 5 FDBDLO CCC[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000166021050 525568159 /nfs/dbraw/zinc/56/81/59/525568159.db2.gz CBZSJNMXOLIOIM-CQSZACIVSA-N 1 2 371.459 1.716 20 5 FDBDLO CCc1nc(CN2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000154586667 525582523 /nfs/dbraw/zinc/58/25/23/525582523.db2.gz JVBRGXMKTULGFD-HNNXBMFYSA-N 1 2 361.402 1.391 20 5 FDBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000154835704 525653540 /nfs/dbraw/zinc/65/35/40/525653540.db2.gz SFYFOIMBSWMXDA-HNNXBMFYSA-N 1 2 374.441 1.672 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000181299819 525839569 /nfs/dbraw/zinc/83/95/69/525839569.db2.gz UNOAYUDGGJRALX-PELKAZGASA-N 1 2 365.308 1.785 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000181299819 525839574 /nfs/dbraw/zinc/83/95/74/525839574.db2.gz UNOAYUDGGJRALX-PELKAZGASA-N 1 2 365.308 1.785 20 5 FDBDLO CC1(C)C[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000171167532 525878939 /nfs/dbraw/zinc/87/89/39/525878939.db2.gz PAUJAEOMCCJWCX-UHFFFAOYSA-N 1 2 350.419 1.547 20 5 FDBDLO CC1(C)C[N@@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000171167532 525878951 /nfs/dbraw/zinc/87/89/51/525878951.db2.gz PAUJAEOMCCJWCX-UHFFFAOYSA-N 1 2 350.419 1.547 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000181970225 526003085 /nfs/dbraw/zinc/00/30/85/526003085.db2.gz OQAIKKGEBQYXFT-UHFFFAOYSA-N 1 2 364.427 1.902 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C2 ZINC000109266417 526099476 /nfs/dbraw/zinc/09/94/76/526099476.db2.gz XBDMENNZQWJXCZ-CYBMUJFWSA-N 1 2 358.354 1.422 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120588383 526118852 /nfs/dbraw/zinc/11/88/52/526118852.db2.gz NVRCENVJOKVIAY-AWEZNQCLSA-N 1 2 362.430 1.990 20 5 FDBDLO NC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109699004 526165481 /nfs/dbraw/zinc/16/54/81/526165481.db2.gz DVKIZCMNTRPDCS-JTQLQIEISA-N 1 2 354.794 1.917 20 5 FDBDLO NC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109699004 526165489 /nfs/dbraw/zinc/16/54/89/526165489.db2.gz DVKIZCMNTRPDCS-JTQLQIEISA-N 1 2 354.794 1.917 20 5 FDBDLO NS(=O)(=O)c1cccc(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000183796648 536050887 /nfs/dbraw/zinc/05/08/87/536050887.db2.gz INVSOBIIIYYEQU-UHFFFAOYSA-N 1 2 351.388 1.551 20 5 FDBDLO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)[NH+]1CCOCC1 ZINC000184621503 536169572 /nfs/dbraw/zinc/16/95/72/536169572.db2.gz FNAKNGCZUPMHRJ-AWEZNQCLSA-N 1 2 351.403 1.777 20 5 FDBDLO Cc1nc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)cc[nH+]1 ZINC000184960078 536194002 /nfs/dbraw/zinc/19/40/02/536194002.db2.gz XHHVQOBGUDIUPF-UHFFFAOYSA-N 1 2 369.428 1.266 20 5 FDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185205315 536202154 /nfs/dbraw/zinc/20/21/54/536202154.db2.gz WBKLTIRJSLXOGY-STQMWFEESA-N 1 2 352.410 1.590 20 5 FDBDLO C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185205349 536202494 /nfs/dbraw/zinc/20/24/94/536202494.db2.gz WBKLTIRJSLXOGY-QWHCGFSZSA-N 1 2 352.410 1.590 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188462827 536293680 /nfs/dbraw/zinc/29/36/80/536293680.db2.gz 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FDBDLO Cc1c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000598945679 552950010 /nfs/dbraw/zinc/95/00/10/552950010.db2.gz AUUBZHYJYLJKMJ-GFCCVEGCSA-N 1 2 367.369 1.425 20 5 FDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949920 552950593 /nfs/dbraw/zinc/95/05/93/552950593.db2.gz XFGPJFIZVWCNMB-WCQYABFASA-N 1 2 361.406 1.155 20 5 FDBDLO Cn1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598950019 552950718 /nfs/dbraw/zinc/95/07/18/552950718.db2.gz ZRMRACBNOZEDKB-ZDUSSCGKSA-N 1 2 366.381 1.937 20 5 FDBDLO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950576 552950853 /nfs/dbraw/zinc/95/08/53/552950853.db2.gz RZGCBNHDEGSGRT-GFCCVEGCSA-N 1 2 358.358 1.044 20 5 FDBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599185795 552980554 /nfs/dbraw/zinc/98/05/54/552980554.db2.gz XFUMFZNUWDQARH-HNNXBMFYSA-N 1 2 360.418 1.828 20 5 FDBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599185795 552980555 /nfs/dbraw/zinc/98/05/55/552980555.db2.gz XFUMFZNUWDQARH-HNNXBMFYSA-N 1 2 360.418 1.828 20 5 FDBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599361769 553036716 /nfs/dbraw/zinc/03/67/16/553036716.db2.gz KFALUYGNAZLTKN-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631785 553107577 /nfs/dbraw/zinc/10/75/77/553107577.db2.gz BTWRZOGRLHSDJC-QWJLCTJOSA-N 1 2 351.428 1.827 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631785 553107579 /nfs/dbraw/zinc/10/75/79/553107579.db2.gz BTWRZOGRLHSDJC-QWJLCTJOSA-N 1 2 351.428 1.827 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632000 553107639 /nfs/dbraw/zinc/10/76/39/553107639.db2.gz OIFSYJVMORFGCH-QWJLCTJOSA-N 1 2 351.428 1.827 20 5 FDBDLO 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Cc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000600232568 553234097 /nfs/dbraw/zinc/23/40/97/553234097.db2.gz RZMGLDZKEPKKCG-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)n1 ZINC000600367442 553257292 /nfs/dbraw/zinc/25/72/92/553257292.db2.gz UHTTWEYMHGIMJE-UHFFFAOYSA-N 1 2 361.406 1.875 20 5 FDBDLO COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000600377273 553259252 /nfs/dbraw/zinc/25/92/52/553259252.db2.gz TVIKIFZUAMTENC-ABAIWWIYSA-N 1 2 374.353 1.183 20 5 FDBDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000600422290 553264655 /nfs/dbraw/zinc/26/46/55/553264655.db2.gz UMSHJSCHSWZVMY-JTQLQIEISA-N 1 2 358.192 1.418 20 5 FDBDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000600422290 553264656 /nfs/dbraw/zinc/26/46/56/553264656.db2.gz UMSHJSCHSWZVMY-JTQLQIEISA-N 1 2 358.192 1.418 20 5 FDBDLO COC(=O)[C@](C)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000600537524 553281917 /nfs/dbraw/zinc/28/19/17/553281917.db2.gz OKTQLCFCMFWLEI-KZULUSFZSA-N 1 2 372.381 1.558 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000600680642 553299117 /nfs/dbraw/zinc/29/91/17/553299117.db2.gz GBAFSQLTSQOMGB-CQSZACIVSA-N 1 2 362.411 1.682 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000600680642 553299119 /nfs/dbraw/zinc/29/91/19/553299119.db2.gz GBAFSQLTSQOMGB-CQSZACIVSA-N 1 2 362.411 1.682 20 5 FDBDLO Cc1c(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000600683538 553300004 /nfs/dbraw/zinc/30/00/04/553300004.db2.gz PWQPRJFHOWTVCF-MRXNPFEDSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000600683538 553300005 /nfs/dbraw/zinc/30/00/05/553300005.db2.gz PWQPRJFHOWTVCF-MRXNPFEDSA-N 1 2 370.409 1.929 20 5 FDBDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000601382906 553390517 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MQGKVDFOGOVLCA-CQSZACIVSA-N 1 2 350.423 1.178 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000602817991 553644169 /nfs/dbraw/zinc/64/41/69/553644169.db2.gz MQGKVDFOGOVLCA-CQSZACIVSA-N 1 2 350.423 1.178 20 5 FDBDLO O=C(N[C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000603408556 553781387 /nfs/dbraw/zinc/78/13/87/553781387.db2.gz FUPPCWNLWHXXLS-ZDUSSCGKSA-N 1 2 368.459 1.183 20 5 FDBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000603941836 553832315 /nfs/dbraw/zinc/83/23/15/553832315.db2.gz AGYHKMXFRZCZJZ-UHFFFAOYSA-N 1 2 370.365 1.677 20 5 FDBDLO COCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000604447363 553878722 /nfs/dbraw/zinc/87/87/22/553878722.db2.gz XOZOTEIRQUFIKB-LBPRGKRZSA-N 1 2 371.821 1.806 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000604529457 553884786 /nfs/dbraw/zinc/88/47/86/553884786.db2.gz BDMMASLMPBHLGK-UHFFFAOYSA-N 1 2 372.381 1.227 20 5 FDBDLO 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(F)c(F)c1 ZINC001029304877 820439519 /nfs/dbraw/zinc/43/95/19/820439519.db2.gz NBXMGNSZKOGNED-UMPJEAMMSA-N 1 2 365.380 1.848 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(F)c(F)c1 ZINC001029304877 820439524 /nfs/dbraw/zinc/43/95/24/820439524.db2.gz NBXMGNSZKOGNED-UMPJEAMMSA-N 1 2 365.380 1.848 20 5 FDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000428003920 820863930 /nfs/dbraw/zinc/86/39/30/820863930.db2.gz DOBPUNXJGGUJGW-CYBMUJFWSA-N 1 2 371.397 1.373 20 5 FDBDLO COc1c(O)ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000895436752 822598068 /nfs/dbraw/zinc/59/80/68/822598068.db2.gz QLQKKIFFJPWHSK-GFCCVEGCSA-N 1 2 352.391 1.497 20 5 FDBDLO COc1c(O)ccc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC000895436752 822598070 /nfs/dbraw/zinc/59/80/70/822598070.db2.gz QLQKKIFFJPWHSK-GFCCVEGCSA-N 1 2 352.391 1.497 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000447656232 828816070 /nfs/dbraw/zinc/81/60/70/828816070.db2.gz KBEIXSZLXCJUBG-CQSZACIVSA-N 1 2 373.413 1.573 20 5 FDBDLO C[C@@]1(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)NC(=O)NC1=O ZINC000444639015 828169042 /nfs/dbraw/zinc/16/90/42/828169042.db2.gz MHIHDTUYFHPGRM-KRWDZBQOSA-N 1 2 372.385 1.281 20 5 FDBDLO CC[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448732806 829226909 /nfs/dbraw/zinc/22/69/09/829226909.db2.gz DMTZSGNTHKODBK-GFCCVEGCSA-N 1 2 359.386 1.815 20 5 FDBDLO COC(=O)[C@H]1C[C@H](OC)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448958861 829322206 /nfs/dbraw/zinc/32/22/06/829322206.db2.gz AZHCAHKPMXPPRB-SWLSCSKDSA-N 1 2 374.353 1.183 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000449764145 829649353 /nfs/dbraw/zinc/64/93/53/829649353.db2.gz YXZXXKCMGHBUGX-AWEZNQCLSA-N 1 2 357.414 1.983 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000449764145 829649361 /nfs/dbraw/zinc/64/93/61/829649361.db2.gz YXZXXKCMGHBUGX-AWEZNQCLSA-N 1 2 357.414 1.983 20 5 FDBDLO CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000450046948 829780970 /nfs/dbraw/zinc/78/09/70/829780970.db2.gz UIWUBAOSIFXLLR-GFCCVEGCSA-N 1 2 371.353 1.046 20 5 FDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450229993 829878499 /nfs/dbraw/zinc/87/84/99/829878499.db2.gz FKVNNVCIWUEGDK-ZDUSSCGKSA-N 1 2 369.425 1.932 20 5 FDBDLO CCCCCN(CC(N)=O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450500251 829980412 /nfs/dbraw/zinc/98/04/12/829980412.db2.gz MLRANBPGDFKOFB-UHFFFAOYSA-N 1 2 359.386 1.898 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC000450895138 830170519 /nfs/dbraw/zinc/17/05/19/830170519.db2.gz IIYBDAPNHCNDNH-NSHDSACASA-N 1 2 364.358 1.950 20 5 FDBDLO 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COC(=O)[C@H]([N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1(OC)CCC1 ZINC000459371969 835189462 /nfs/dbraw/zinc/18/94/62/835189462.db2.gz HNDPIDQGOCNYGX-WFASDCNBSA-N 1 2 364.402 1.587 20 5 FDBDLO CCNC(=O)NCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729803190 837384892 /nfs/dbraw/zinc/38/48/92/837384892.db2.gz BBAWUFWWTHGDQC-UHFFFAOYSA-N 1 2 361.358 1.647 20 5 FDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000282066229 838329663 /nfs/dbraw/zinc/32/96/63/838329663.db2.gz ZSICCXUBGINPHK-MRXNPFEDSA-N 1 2 373.413 1.731 20 5 FDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000282066229 838329667 /nfs/dbraw/zinc/32/96/67/838329667.db2.gz ZSICCXUBGINPHK-MRXNPFEDSA-N 1 2 373.413 1.731 20 5 FDBDLO CNc1nc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000455618075 838393331 /nfs/dbraw/zinc/39/33/31/838393331.db2.gz LZAUIKHCLFAMOM-ZDUSSCGKSA-N 1 2 363.418 1.358 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1OC(F)F 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DSQJVQUFYXTMCU-UHFFFAOYSA-N 1 2 353.350 1.221 20 5 FDBDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172898395 865828803 /nfs/dbraw/zinc/82/88/03/865828803.db2.gz YIRKIBXZHXIAND-CQSZACIVSA-N 1 2 358.402 1.659 20 5 FDBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172898395 865828814 /nfs/dbraw/zinc/82/88/14/865828814.db2.gz YIRKIBXZHXIAND-CQSZACIVSA-N 1 2 358.402 1.659 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000271768380 869131487 /nfs/dbraw/zinc/13/14/87/869131487.db2.gz QGBQSESQXHARMM-SNVBAGLBSA-N 1 2 371.340 1.582 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000271768380 869131495 /nfs/dbraw/zinc/13/14/95/869131495.db2.gz QGBQSESQXHARMM-SNVBAGLBSA-N 1 2 371.340 1.582 20 5 FDBDLO CCc1noc(C)c1C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035704428 886328144 /nfs/dbraw/zinc/32/81/44/886328144.db2.gz OPSIVMDMXVXZOT-CZUORRHYSA-N 1 2 362.430 1.635 20 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2C[NH+](C/C=C/c3ccccc3)C2)CC1 ZINC000941406886 894910934 /nfs/dbraw/zinc/91/09/34/894910934.db2.gz HZHHALVRTAMSOG-LVLPYEQSSA-N 1 2 370.453 1.193 20 5 FDBDLO Cc1cc(C[NH+]2CC(N3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)C2)cs1 ZINC000941407386 894912175 /nfs/dbraw/zinc/91/21/75/894912175.db2.gz QHIWUKDXUXPOIH-HZPDHXFCSA-N 1 2 364.471 1.050 20 5 FDBDLO COC(=O)c1ccc(OC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000763708971 898132887 /nfs/dbraw/zinc/13/28/87/898132887.db2.gz NDQJCDODDRHSGY-SNVBAGLBSA-N 1 2 354.384 1.724 20 5 FDBDLO COC(=O)c1ccc(OC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000763708971 898132890 /nfs/dbraw/zinc/13/28/90/898132890.db2.gz NDQJCDODDRHSGY-SNVBAGLBSA-N 1 2 354.384 1.724 20 5 FDBDLO O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000943698836 899192058 /nfs/dbraw/zinc/19/20/58/899192058.db2.gz HOAOWSBBYMYVAB-BRXULGCHSA-N 1 2 371.397 1.385 20 5 FDBDLO 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ZINC000295140717 184037224 /nfs/dbraw/zinc/03/72/24/184037224.db2.gz KXNUMMSSOGIXLX-UHFFFAOYSA-N 1 2 369.425 1.770 20 5 FDBDLO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccn1 ZINC000295140717 184037225 /nfs/dbraw/zinc/03/72/25/184037225.db2.gz KXNUMMSSOGIXLX-UHFFFAOYSA-N 1 2 369.425 1.770 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295146317 184037825 /nfs/dbraw/zinc/03/78/25/184037825.db2.gz FJZQMIZYLYOYBJ-NSHDSACASA-N 1 2 361.358 1.398 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295146317 184037828 /nfs/dbraw/zinc/03/78/28/184037828.db2.gz FJZQMIZYLYOYBJ-NSHDSACASA-N 1 2 361.358 1.398 20 5 FDBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000295312175 184057669 /nfs/dbraw/zinc/05/76/69/184057669.db2.gz LDGYGRWAKRUFBW-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000295482243 184075714 /nfs/dbraw/zinc/07/57/14/184075714.db2.gz YSOPPBJHXSWEFA-AWEZNQCLSA-N 1 2 373.417 1.780 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc(N)n(C)n1 ZINC000295482243 184075717 /nfs/dbraw/zinc/07/57/17/184075717.db2.gz YSOPPBJHXSWEFA-AWEZNQCLSA-N 1 2 373.417 1.780 20 5 FDBDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298017006 184376226 /nfs/dbraw/zinc/37/62/26/184376226.db2.gz DBJYWSBHPBRIBA-OAHLLOKOSA-N 1 2 369.425 1.817 20 5 FDBDLO CN(C)S(=O)(=O)c1ccc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000133028189 258262651 /nfs/dbraw/zinc/26/26/51/258262651.db2.gz AXAJKPSXKUKBLX-UHFFFAOYSA-N 1 2 367.431 1.568 20 5 FDBDLO COCCOC[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000173146815 258291902 /nfs/dbraw/zinc/29/19/02/258291902.db2.gz ODEUCTINWRXSSB-CQSZACIVSA-N 1 2 374.397 1.906 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000550781078 543172350 /nfs/dbraw/zinc/17/23/50/543172350.db2.gz AMCUNGRSHBYWMB-UHFFFAOYSA-N 1 2 371.441 1.950 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000552157771 543427321 /nfs/dbraw/zinc/42/73/21/543427321.db2.gz BNCHZEDCZWOVDT-NSHDSACASA-N 1 2 362.361 1.518 20 5 FDBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000552997154 543549261 /nfs/dbraw/zinc/54/92/61/543549261.db2.gz ZADMOEWDXRPSJR-CQSZACIVSA-N 1 2 355.398 1.703 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069970682 172035180 /nfs/dbraw/zinc/03/51/80/172035180.db2.gz JNWCFBDWMRDQQB-ZDUSSCGKSA-N 1 2 365.434 1.455 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069970682 172035182 /nfs/dbraw/zinc/03/51/82/172035182.db2.gz JNWCFBDWMRDQQB-ZDUSSCGKSA-N 1 2 365.434 1.455 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000077616122 172130130 /nfs/dbraw/zinc/13/01/30/172130130.db2.gz ZIHYELMIPGAHJR-ZDUSSCGKSA-N 1 2 370.475 1.065 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000090552485 172266691 /nfs/dbraw/zinc/26/66/91/172266691.db2.gz ZCBZOXXYNMECMM-LSDHHAIUSA-N 1 2 363.370 1.174 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000090552485 172266692 /nfs/dbraw/zinc/26/66/92/172266692.db2.gz ZCBZOXXYNMECMM-LSDHHAIUSA-N 1 2 363.370 1.174 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000102399824 172349877 /nfs/dbraw/zinc/34/98/77/172349877.db2.gz COBXCWNTJKVRPJ-UHFFFAOYSA-N 1 2 371.397 1.420 20 5 FDBDLO C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000104593534 172381672 /nfs/dbraw/zinc/38/16/72/172381672.db2.gz CQKAWWHVDDGIOY-STQMWFEESA-N 1 2 374.401 1.015 20 5 FDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000129068773 173127400 /nfs/dbraw/zinc/12/74/00/173127400.db2.gz RJINGTFXQDVEHS-UHFFFAOYSA-N 1 2 368.440 1.781 20 5 FDBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000129165355 173130152 /nfs/dbraw/zinc/13/01/52/173130152.db2.gz MSWYVIJXGZWBJX-UHFFFAOYSA-N 1 2 364.221 1.293 20 5 FDBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000130285503 173165443 /nfs/dbraw/zinc/16/54/43/173165443.db2.gz QRTNTPAQERLDEF-CQSZACIVSA-N 1 2 355.398 1.703 20 5 FDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000130381426 173167838 /nfs/dbraw/zinc/16/78/38/173167838.db2.gz QLJRXZCYGLRSLC-CQSZACIVSA-N 1 2 364.421 1.862 20 5 FDBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133179850 173255915 /nfs/dbraw/zinc/25/59/15/173255915.db2.gz KARNPGVHWUJAJV-MRXNPFEDSA-N 1 2 369.418 1.672 20 5 FDBDLO Cc1c(F)cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000133501917 173266779 /nfs/dbraw/zinc/26/67/79/173266779.db2.gz SAGDLNCWKYDEJJ-GFCCVEGCSA-N 1 2 357.407 1.901 20 5 FDBDLO Cc1c(F)cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000133501917 173266783 /nfs/dbraw/zinc/26/67/83/173266783.db2.gz SAGDLNCWKYDEJJ-GFCCVEGCSA-N 1 2 357.407 1.901 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000151138733 173391694 /nfs/dbraw/zinc/39/16/94/173391694.db2.gz HWQFYVXPQSYBIF-MRXNPFEDSA-N 1 2 363.395 1.973 20 5 FDBDLO COC(=O)[C@]1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177200549 174113284 /nfs/dbraw/zinc/11/32/84/174113284.db2.gz ZQNLTUUULBZIKN-QGZVFWFLSA-N 1 2 358.354 1.806 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177232622 174116510 /nfs/dbraw/zinc/11/65/10/174116510.db2.gz HJXDCAWHYHENKP-WMLDXEAASA-N 1 2 362.430 1.494 20 5 FDBDLO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000180135636 258362574 /nfs/dbraw/zinc/36/25/74/258362574.db2.gz WIBBOEVJTFFHDF-BETUJISGSA-N 1 2 351.403 1.920 20 5 FDBDLO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000180135636 258362575 /nfs/dbraw/zinc/36/25/75/258362575.db2.gz WIBBOEVJTFFHDF-BETUJISGSA-N 1 2 351.403 1.920 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[NH2+]Cc2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000173638250 258305704 /nfs/dbraw/zinc/30/57/04/258305704.db2.gz JDAKJMQAJAELHB-LBPRGKRZSA-N 1 2 358.402 1.948 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000270798078 258438429 /nfs/dbraw/zinc/43/84/29/258438429.db2.gz YSRAEGPDKHNWPI-UHFFFAOYSA-N 1 2 359.386 1.091 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000554740484 543862961 /nfs/dbraw/zinc/86/29/61/543862961.db2.gz HFFLMAROCIDXED-ISTVAULSSA-N 1 2 357.794 1.250 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000554740484 543862965 /nfs/dbraw/zinc/86/29/65/543862965.db2.gz HFFLMAROCIDXED-ISTVAULSSA-N 1 2 357.794 1.250 20 5 FDBDLO CCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC(=O)N(C)C1=O ZINC000556957241 544224842 /nfs/dbraw/zinc/22/48/42/544224842.db2.gz INANQHYTUIGFHI-ZDUSSCGKSA-N 1 2 373.369 1.614 20 5 FDBDLO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC(=O)N(C)C1=O ZINC000556957241 544224843 /nfs/dbraw/zinc/22/48/43/544224843.db2.gz INANQHYTUIGFHI-ZDUSSCGKSA-N 1 2 373.369 1.614 20 5 FDBDLO Cc1nc(N)c(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c[nH+]1 ZINC000558407230 544423473 /nfs/dbraw/zinc/42/34/73/544423473.db2.gz ISLDEUFYGXAECA-UHFFFAOYSA-N 1 2 353.342 1.391 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000559690983 544765573 /nfs/dbraw/zinc/76/55/73/544765573.db2.gz WMZGKGXHIIQNFE-LLVKDONJSA-N 1 2 360.374 1.556 20 5 FDBDLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299298756 258987761 /nfs/dbraw/zinc/98/77/61/258987761.db2.gz MTVJQCODVRHWGT-UHFFFAOYSA-N 1 2 374.397 1.564 20 5 FDBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299592374 259009537 /nfs/dbraw/zinc/00/95/37/259009537.db2.gz ZWVGNSLTGHKGRN-NTZNESFSSA-N 1 2 351.407 1.340 20 5 FDBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299592374 259009538 /nfs/dbraw/zinc/00/95/38/259009538.db2.gz ZWVGNSLTGHKGRN-NTZNESFSSA-N 1 2 351.407 1.340 20 5 FDBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299592374 259009539 /nfs/dbraw/zinc/00/95/39/259009539.db2.gz ZWVGNSLTGHKGRN-NTZNESFSSA-N 1 2 351.407 1.340 20 5 FDBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299592374 259009540 /nfs/dbraw/zinc/00/95/40/259009540.db2.gz ZWVGNSLTGHKGRN-NTZNESFSSA-N 1 2 351.407 1.340 20 5 FDBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299662657 259014335 /nfs/dbraw/zinc/01/43/35/259014335.db2.gz NHLLEUSWEMBLBL-UHFFFAOYSA-N 1 2 371.397 1.844 20 5 FDBDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301662084 259031455 /nfs/dbraw/zinc/03/14/55/259031455.db2.gz UYKWXTMCEMXJSB-CQSZACIVSA-N 1 2 361.446 1.868 20 5 FDBDLO O=[N+]([O-])c1cnc2ccc(NCc3ccc[nH+]c3N3CCOCC3)nn21 ZINC000301838458 259034231 /nfs/dbraw/zinc/03/42/31/259034231.db2.gz NJNQZESQSVEBTP-UHFFFAOYSA-N 1 2 355.358 1.481 20 5 FDBDLO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nn21 ZINC000301909581 259035933 /nfs/dbraw/zinc/03/59/33/259035933.db2.gz FOXSLIMYLAJFET-OAHLLOKOSA-N 1 2 368.397 1.950 20 5 FDBDLO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nn21 ZINC000301909581 259035934 /nfs/dbraw/zinc/03/59/34/259035934.db2.gz FOXSLIMYLAJFET-OAHLLOKOSA-N 1 2 368.397 1.950 20 5 FDBDLO C[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302510956 259042887 /nfs/dbraw/zinc/04/28/87/259042887.db2.gz SNYUVDWYQMMGMC-LBPRGKRZSA-N 1 2 371.459 1.280 20 5 FDBDLO C[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000302510956 259042888 /nfs/dbraw/zinc/04/28/88/259042888.db2.gz SNYUVDWYQMMGMC-LBPRGKRZSA-N 1 2 371.459 1.280 20 5 FDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302768359 259045559 /nfs/dbraw/zinc/04/55/59/259045559.db2.gz AUSQKWASMJAHCU-GFCCVEGCSA-N 1 2 359.430 1.352 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000331859689 259224983 /nfs/dbraw/zinc/22/49/83/259224983.db2.gz JUJGDRBKCUMWHC-UHFFFAOYSA-N 1 2 364.450 1.925 20 5 FDBDLO CC[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000332105450 259242016 /nfs/dbraw/zinc/24/20/16/259242016.db2.gz DPEHUPCYIOXWCQ-ZFWWWQNUSA-N 1 2 365.434 1.096 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000332251678 259252580 /nfs/dbraw/zinc/25/25/80/259252580.db2.gz BXZALWKYEVCRBV-KGLIPLIRSA-N 1 2 354.794 1.202 20 5 FDBDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000332251678 259252581 /nfs/dbraw/zinc/25/25/81/259252581.db2.gz BXZALWKYEVCRBV-KGLIPLIRSA-N 1 2 354.794 1.202 20 5 FDBDLO Cc1ccc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000332257597 259253263 /nfs/dbraw/zinc/25/32/63/259253263.db2.gz CXRKXLLPXUUMEF-UHFFFAOYSA-N 1 2 350.400 1.915 20 5 FDBDLO CSc1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000332538237 259275038 /nfs/dbraw/zinc/27/50/38/259275038.db2.gz ZIJCXXXVJDFXDB-OLZOCXBDSA-N 1 2 351.428 1.862 20 5 FDBDLO CSc1cccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000332538237 259275039 /nfs/dbraw/zinc/27/50/39/259275039.db2.gz ZIJCXXXVJDFXDB-OLZOCXBDSA-N 1 2 351.428 1.862 20 5 FDBDLO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000367211061 260010406 /nfs/dbraw/zinc/01/04/06/260010406.db2.gz IXIQQIRSNUBNEG-CQSZACIVSA-N 1 2 362.430 1.400 20 5 FDBDLO CN(C(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000368877303 260253451 /nfs/dbraw/zinc/25/34/51/260253451.db2.gz PEGXZOUDZHEUSN-MAZHCROVSA-N 1 2 360.414 1.676 20 5 FDBDLO CN(C(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000368877303 260253452 /nfs/dbraw/zinc/25/34/52/260253452.db2.gz PEGXZOUDZHEUSN-MAZHCROVSA-N 1 2 360.414 1.676 20 5 FDBDLO COc1cncc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000369353024 260346247 /nfs/dbraw/zinc/34/62/47/260346247.db2.gz GUSLACXYXXUCKC-UHFFFAOYSA-N 1 2 359.386 1.724 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369813921 260436276 /nfs/dbraw/zinc/43/62/76/260436276.db2.gz LLCQAKJNFQPSQC-STQMWFEESA-N 1 2 371.397 1.288 20 5 FDBDLO Cc1nccnc1N1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000374183178 261090467 /nfs/dbraw/zinc/09/04/67/261090467.db2.gz MJNKJIDJZXZHOK-UHFFFAOYSA-N 1 2 356.386 1.114 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374750371 261187942 /nfs/dbraw/zinc/18/79/42/261187942.db2.gz FQSYJFPIDHUGRI-LLVKDONJSA-N 1 2 352.372 1.852 20 5 FDBDLO CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1c1[nH]cc[nH+]1 ZINC000374777575 261194290 /nfs/dbraw/zinc/19/42/90/261194290.db2.gz NLNFXWLSVFVMOS-AWEZNQCLSA-N 1 2 362.365 1.558 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000374903409 261223546 /nfs/dbraw/zinc/22/35/46/261223546.db2.gz PWRKWGITUVSAMY-VIFPVBQESA-N 1 2 358.383 1.963 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375318707 261311022 /nfs/dbraw/zinc/31/10/22/261311022.db2.gz LDYMTDLCQMEVLU-LLVKDONJSA-N 1 2 350.766 1.725 20 5 FDBDLO O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000375318707 261311025 /nfs/dbraw/zinc/31/10/25/261311025.db2.gz LDYMTDLCQMEVLU-LLVKDONJSA-N 1 2 350.766 1.725 20 5 FDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000375623178 261384097 /nfs/dbraw/zinc/38/40/97/261384097.db2.gz IOKACWPPLAGOGM-BBRMVZONSA-N 1 2 369.443 1.220 20 5 FDBDLO C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157232902 518182472 /nfs/dbraw/zinc/18/24/72/518182472.db2.gz BXULGLGEZYVCME-JNDILOIQSA-N 1 2 350.400 1.620 20 5 FDBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(C(=O)OC)CC2)c([N+](=O)[O-])c1 ZINC000016517252 518760201 /nfs/dbraw/zinc/76/02/01/518760201.db2.gz RNRCLJGZLMWLFT-UHFFFAOYSA-N 1 2 365.386 1.817 20 5 FDBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000025194132 519044027 /nfs/dbraw/zinc/04/40/27/519044027.db2.gz SGDMAIVVOVOFLJ-VMPITWQZSA-N 1 2 372.425 1.375 20 5 FDBDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000025530266 519069509 /nfs/dbraw/zinc/06/95/09/519069509.db2.gz GFWSDRVUOKUOQW-CQSZACIVSA-N 1 2 361.398 1.759 20 5 FDBDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000025530266 519069517 /nfs/dbraw/zinc/06/95/17/519069517.db2.gz GFWSDRVUOKUOQW-CQSZACIVSA-N 1 2 361.398 1.759 20 5 FDBDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000026481791 519125050 /nfs/dbraw/zinc/12/50/50/519125050.db2.gz LWICJHCDNOQIOW-OAHLLOKOSA-N 1 2 369.425 1.989 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000027564405 519184530 /nfs/dbraw/zinc/18/45/30/519184530.db2.gz YBNNEAVMXOTAJT-GFCCVEGCSA-N 1 2 364.402 1.485 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000027564405 519184540 /nfs/dbraw/zinc/18/45/40/519184540.db2.gz YBNNEAVMXOTAJT-GFCCVEGCSA-N 1 2 364.402 1.485 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030278217 519355277 /nfs/dbraw/zinc/35/52/77/519355277.db2.gz BWRQJBRMTHGEEV-UHFFFAOYSA-N 1 2 360.414 1.832 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000030337552 519361004 /nfs/dbraw/zinc/36/10/04/519361004.db2.gz IGWBLXDRNGTTES-MELADBBJSA-N 1 2 371.459 1.679 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000030337552 519361008 /nfs/dbraw/zinc/36/10/08/519361008.db2.gz IGWBLXDRNGTTES-MELADBBJSA-N 1 2 371.459 1.679 20 5 FDBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000031941895 519472949 /nfs/dbraw/zinc/47/29/49/519472949.db2.gz SASLVDXQVBSAFQ-MRXNPFEDSA-N 1 2 351.428 1.533 20 5 FDBDLO CN(C)C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000032244550 519487034 /nfs/dbraw/zinc/48/70/34/519487034.db2.gz RQARNWGAMIDYEQ-UHFFFAOYSA-N 1 2 372.385 1.220 20 5 FDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032251520 519488584 /nfs/dbraw/zinc/48/85/84/519488584.db2.gz TUCSKOYISKUFLI-INIZCTEOSA-N 1 2 358.398 1.564 20 5 FDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032251520 519488590 /nfs/dbraw/zinc/48/85/90/519488590.db2.gz TUCSKOYISKUFLI-INIZCTEOSA-N 1 2 358.398 1.564 20 5 FDBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000035593237 519610012 /nfs/dbraw/zinc/61/00/12/519610012.db2.gz HOBKMZHYJOVYDY-UHFFFAOYSA-N 1 2 368.459 1.521 20 5 FDBDLO COC(=O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000044192595 521928782 /nfs/dbraw/zinc/92/87/82/521928782.db2.gz CZWKQNWKPKMVHV-UHFFFAOYSA-N 1 2 358.354 1.806 20 5 FDBDLO CCOc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000045354552 522078171 /nfs/dbraw/zinc/07/81/71/522078171.db2.gz WOBLFSMFLHCVAS-UHFFFAOYSA-N 1 2 351.403 1.834 20 5 FDBDLO CCCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000057566828 522112805 /nfs/dbraw/zinc/11/28/05/522112805.db2.gz VUISLSSDZHWXFB-UHFFFAOYSA-N 1 2 357.432 1.710 20 5 FDBDLO COCCCNC(=O)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057826004 522164112 /nfs/dbraw/zinc/16/41/12/522164112.db2.gz KOSBADTVKMSEFN-UHFFFAOYSA-N 1 2 373.413 1.949 20 5 FDBDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665208 522349425 /nfs/dbraw/zinc/34/94/25/522349425.db2.gz HLHLAWYXTTYMLS-JTQLQIEISA-N 1 2 361.324 1.497 20 5 FDBDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665208 522349431 /nfs/dbraw/zinc/34/94/31/522349431.db2.gz HLHLAWYXTTYMLS-JTQLQIEISA-N 1 2 361.324 1.497 20 5 FDBDLO CCOC(=O)c1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000047150952 522459714 /nfs/dbraw/zinc/45/97/14/522459714.db2.gz UMTPLNHOJCFVIE-LBPRGKRZSA-N 1 2 365.386 1.222 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+](CC(N)=O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000047274422 522485619 /nfs/dbraw/zinc/48/56/19/522485619.db2.gz NPYOHWYNFNSZES-UHFFFAOYSA-N 1 2 350.375 1.272 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+](CC(N)=O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000047274422 522485634 /nfs/dbraw/zinc/48/56/34/522485634.db2.gz NPYOHWYNFNSZES-UHFFFAOYSA-N 1 2 350.375 1.272 20 5 FDBDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743654 522595723 /nfs/dbraw/zinc/59/57/23/522595723.db2.gz TVDNYBGJJONSMI-UHFFFAOYSA-N 1 2 363.418 1.199 20 5 FDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000063542134 522605221 /nfs/dbraw/zinc/60/52/21/522605221.db2.gz YUSOIRJQBBEDTL-INIZCTEOSA-N 1 2 369.418 1.672 20 5 FDBDLO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000074139765 522692639 /nfs/dbraw/zinc/69/26/39/522692639.db2.gz RXXBYQFHWYQSIW-HNNXBMFYSA-N 1 2 363.462 1.539 20 5 FDBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065968980 522929304 /nfs/dbraw/zinc/92/93/04/522929304.db2.gz ZPBGGIVLXAPFLI-OAHLLOKOSA-N 1 2 364.446 1.254 20 5 FDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000075588116 522938735 /nfs/dbraw/zinc/93/87/35/522938735.db2.gz GMKWCKKNHQZMRI-OAHLLOKOSA-N 1 2 362.430 1.132 20 5 FDBDLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050992399 522959253 /nfs/dbraw/zinc/95/92/53/522959253.db2.gz XCLBGVKKAQGPQR-UHFFFAOYSA-N 1 2 354.794 1.787 20 5 FDBDLO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000066493091 523083065 /nfs/dbraw/zinc/08/30/65/523083065.db2.gz TXDHOTNLWVMRRX-AWEZNQCLSA-N 1 2 358.416 1.109 20 5 FDBDLO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000066493091 523083070 /nfs/dbraw/zinc/08/30/70/523083070.db2.gz TXDHOTNLWVMRRX-AWEZNQCLSA-N 1 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O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000078022691 523514462 /nfs/dbraw/zinc/51/44/62/523514462.db2.gz OZVKKUQKWXZNHP-UHFFFAOYSA-N 1 2 370.413 1.548 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000078022691 523514472 /nfs/dbraw/zinc/51/44/72/523514472.db2.gz OZVKKUQKWXZNHP-UHFFFAOYSA-N 1 2 370.413 1.548 20 5 FDBDLO CC(C)(CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000054645852 523670703 /nfs/dbraw/zinc/67/07/03/523670703.db2.gz ZXGBXFBXRDPICQ-UHFFFAOYSA-N 1 2 350.419 1.547 20 5 FDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000055016014 523735519 /nfs/dbraw/zinc/73/55/19/523735519.db2.gz GCKPBKZJJLAEPS-SNVBAGLBSA-N 1 2 359.329 1.915 20 5 FDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000055016014 523735525 /nfs/dbraw/zinc/73/55/25/523735525.db2.gz GCKPBKZJJLAEPS-SNVBAGLBSA-N 1 2 359.329 1.915 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000055268942 523784047 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370.475 1.315 20 5 FDBDLO O=[N+]([O-])c1cccc(Br)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000154002252 525389550 /nfs/dbraw/zinc/38/95/50/525389550.db2.gz GRRNCLHKHQXHMR-JTQLQIEISA-N 1 2 361.192 1.429 20 5 FDBDLO COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000105549070 525516239 /nfs/dbraw/zinc/51/62/39/525516239.db2.gz BLIFUHISDMIIHE-CYBMUJFWSA-N 1 2 369.399 1.778 20 5 FDBDLO CCc1ccc(C[NH+]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)s1 ZINC000128659801 525568522 /nfs/dbraw/zinc/56/85/22/525568522.db2.gz OECZDHZNAMWEOF-UHFFFAOYSA-N 1 2 364.431 1.155 20 5 FDBDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866614 525571225 /nfs/dbraw/zinc/57/12/25/525571225.db2.gz KIWGEYDKWYZXKO-QWRGUYRKSA-N 1 2 373.421 1.070 20 5 FDBDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866614 525571239 /nfs/dbraw/zinc/57/12/39/525571239.db2.gz KIWGEYDKWYZXKO-QWRGUYRKSA-N 1 2 373.421 1.070 20 5 FDBDLO 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FDBDLO COC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000189536805 537062220 /nfs/dbraw/zinc/06/22/20/537062220.db2.gz KAKXAQPKXQYBAM-ZDUSSCGKSA-N 1 2 357.432 1.184 20 5 FDBDLO COC[C@@H](C)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000189582342 537069260 /nfs/dbraw/zinc/06/92/60/537069260.db2.gz QLNKDFYSJYQPSE-ZDUSSCGKSA-N 1 2 371.459 1.403 20 5 FDBDLO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189809118 537099693 /nfs/dbraw/zinc/09/96/93/537099693.db2.gz XDUNWDOBBIAFSF-CYBMUJFWSA-N 1 2 357.432 1.521 20 5 FDBDLO COCC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189809118 537099695 /nfs/dbraw/zinc/09/96/95/537099695.db2.gz XDUNWDOBBIAFSF-CYBMUJFWSA-N 1 2 357.432 1.521 20 5 FDBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCOCC2)cc1OC ZINC000263873986 537124018 /nfs/dbraw/zinc/12/40/18/537124018.db2.gz NEBHMGNBYDPJNC-UHFFFAOYSA-N 1 2 367.402 1.406 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264011276 537135528 /nfs/dbraw/zinc/13/55/28/537135528.db2.gz RXNKTKLALMEHRZ-UHFFFAOYSA-N 1 2 355.366 1.340 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264011276 537135531 /nfs/dbraw/zinc/13/55/31/537135531.db2.gz RXNKTKLALMEHRZ-UHFFFAOYSA-N 1 2 355.366 1.340 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000248702435 537207508 /nfs/dbraw/zinc/20/75/08/537207508.db2.gz LDHWEWRRCJRWFI-VXGBXAGGSA-N 1 2 355.445 1.399 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000248702435 537207509 /nfs/dbraw/zinc/20/75/09/537207509.db2.gz LDHWEWRRCJRWFI-VXGBXAGGSA-N 1 2 355.445 1.399 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249084290 537227697 /nfs/dbraw/zinc/22/76/97/537227697.db2.gz BFKWHLWVAGZUIF-ZBFHGGJFSA-N 1 2 351.403 1.181 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249084290 537227699 /nfs/dbraw/zinc/22/76/99/537227699.db2.gz BFKWHLWVAGZUIF-ZBFHGGJFSA-N 1 2 351.403 1.181 20 5 FDBDLO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nnc2ccccn21 ZINC000192936434 537236710 /nfs/dbraw/zinc/23/67/10/537236710.db2.gz RVKQMMLJMDHBCJ-LBPRGKRZSA-N 1 2 366.381 1.877 20 5 FDBDLO O=C(NCC[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000298687699 537274158 /nfs/dbraw/zinc/27/41/58/537274158.db2.gz QZQIGXRLPCNQPX-UHFFFAOYSA-N 1 2 360.317 1.650 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000364956248 537401775 /nfs/dbraw/zinc/40/17/75/537401775.db2.gz RWZQTPDMIBMIDO-VPJDZLOFSA-N 1 2 366.805 1.773 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000364956248 537401783 /nfs/dbraw/zinc/40/17/83/537401783.db2.gz RWZQTPDMIBMIDO-VPJDZLOFSA-N 1 2 366.805 1.773 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000273916625 537513608 /nfs/dbraw/zinc/51/36/08/537513608.db2.gz DBAFIQMIEBBIEB-AWEZNQCLSA-N 1 2 373.413 1.020 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000273916625 537513612 /nfs/dbraw/zinc/51/36/12/537513612.db2.gz DBAFIQMIEBBIEB-AWEZNQCLSA-N 1 2 373.413 1.020 20 5 FDBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000365476998 537532032 /nfs/dbraw/zinc/53/20/32/537532032.db2.gz NMLNNLJWBDGGMM-UHFFFAOYSA-N 1 2 365.415 1.411 20 5 FDBDLO CCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351098212 537558221 /nfs/dbraw/zinc/55/82/21/537558221.db2.gz QXCDBOFFBXHKSP-UHFFFAOYSA-N 1 2 356.342 1.899 20 5 FDBDLO CN(C)S(=O)(=O)c1ccc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000308384251 537605368 /nfs/dbraw/zinc/60/53/68/537605368.db2.gz FLGKWXMNCRNABR-UHFFFAOYSA-N 1 2 351.388 1.434 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c[nH+]2)CCO1 ZINC000294405450 537691935 /nfs/dbraw/zinc/69/19/35/537691935.db2.gz ISAXWBPPLNIUIM-ZDUSSCGKSA-N 1 2 350.419 1.758 20 5 FDBDLO CN1CC[NH+](C[C@H](O)COc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000414118859 537765308 /nfs/dbraw/zinc/76/53/08/537765308.db2.gz BUGODNZKDFKTDQ-LBPRGKRZSA-N 1 2 374.235 1.344 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C[N@@H+]1CCO ZINC000416310513 537801236 /nfs/dbraw/zinc/80/12/36/537801236.db2.gz NYKAMPWMPXRBHU-OLZOCXBDSA-N 1 2 373.413 1.512 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C[N@H+]1CCO ZINC000416310513 537801240 /nfs/dbraw/zinc/80/12/40/537801240.db2.gz NYKAMPWMPXRBHU-OLZOCXBDSA-N 1 2 373.413 1.512 20 5 FDBDLO NS(=O)(=O)NC[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413111154 538055234 /nfs/dbraw/zinc/05/52/34/538055234.db2.gz IHVWWMOOPZNQNZ-LLVKDONJSA-N 1 2 365.415 1.153 20 5 FDBDLO CCC[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450332093 538123431 /nfs/dbraw/zinc/12/34/31/538123431.db2.gz TWISPZIHZMTGPJ-AWEZNQCLSA-N 1 2 357.370 1.521 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000439156411 538158167 /nfs/dbraw/zinc/15/81/67/538158167.db2.gz QYEAWLOFXWHHJS-UHFFFAOYSA-N 1 2 372.381 1.804 20 5 FDBDLO [NH3+][C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1c(F)cccc1F ZINC000423832717 538172076 /nfs/dbraw/zinc/17/20/76/538172076.db2.gz YPBWHAMVGBFSEH-HNNXBMFYSA-N 1 2 365.340 1.933 20 5 FDBDLO COCCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450971232 538173599 /nfs/dbraw/zinc/17/35/99/538173599.db2.gz FROANJXNCMRDEP-AWEZNQCLSA-N 1 2 360.370 1.658 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)[S@@]1=O ZINC000451137188 538193761 /nfs/dbraw/zinc/19/37/61/538193761.db2.gz HSGVPDPSPXKHLO-VPWOIZHCSA-N 1 2 362.411 1.762 20 5 FDBDLO C[C@@H]1OCC[C@@]12CN(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CCO2 ZINC000451328714 538231615 /nfs/dbraw/zinc/23/16/15/538231615.db2.gz IMAIAWRJDBMAEJ-SCLBCKFNSA-N 1 2 372.381 1.801 20 5 FDBDLO CNC(=O)[C@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451389609 538238862 /nfs/dbraw/zinc/23/88/62/538238862.db2.gz VIRFMKCLJYKVLJ-QGZVFWFLSA-N 1 2 357.370 1.379 20 5 FDBDLO COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451586154 538280875 /nfs/dbraw/zinc/28/08/75/538280875.db2.gz YCTPRJLCPXJLCP-UONOGXRCSA-N 1 2 360.370 1.656 20 5 FDBDLO C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000424484750 538312583 /nfs/dbraw/zinc/31/25/83/538312583.db2.gz AVFZKTGMOICDOS-CMPLNLGQSA-N 1 2 370.356 1.133 20 5 FDBDLO C[C@@H]1C[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000451949641 538342490 /nfs/dbraw/zinc/34/24/90/538342490.db2.gz YGQTWJSGSDBVCJ-RISCZKNCSA-N 1 2 350.400 1.959 20 5 FDBDLO Cc1ccc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000421369418 538398044 /nfs/dbraw/zinc/39/80/44/538398044.db2.gz BCMYBIMFEDGILN-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO Cc1ccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000421369418 538398048 /nfs/dbraw/zinc/39/80/48/538398048.db2.gz BCMYBIMFEDGILN-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO C[NH+](C)Cc1csc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000457283228 538483649 /nfs/dbraw/zinc/48/36/49/538483649.db2.gz DBVYWBLEKSGROK-UHFFFAOYSA-N 1 2 363.399 1.481 20 5 FDBDLO CCc1nncn1CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560541446 545540459 /nfs/dbraw/zinc/54/04/59/545540459.db2.gz NCZVAFGWNJSUBU-MRXNPFEDSA-N 1 2 355.402 1.861 20 5 FDBDLO CNC(=O)[C@H](C)CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472335807 538625295 /nfs/dbraw/zinc/62/52/95/538625295.db2.gz CTNAXRRSOBTUHX-CYBMUJFWSA-N 1 2 350.419 1.245 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000463218636 538673178 /nfs/dbraw/zinc/67/31/78/538673178.db2.gz LXUBWPWUEATSMF-QWRGUYRKSA-N 1 2 373.356 1.880 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000463218636 538673184 /nfs/dbraw/zinc/67/31/84/538673184.db2.gz LXUBWPWUEATSMF-QWRGUYRKSA-N 1 2 373.356 1.880 20 5 FDBDLO Cn1c(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000497992603 538797742 /nfs/dbraw/zinc/79/77/42/538797742.db2.gz GZRBNBDJISDBRI-UHFFFAOYSA-N 1 2 368.397 1.539 20 5 FDBDLO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469741598 538813243 /nfs/dbraw/zinc/81/32/43/538813243.db2.gz JIQKQXVITQOTQI-MRXNPFEDSA-N 1 2 371.393 1.449 20 5 FDBDLO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469741598 538813253 /nfs/dbraw/zinc/81/32/53/538813253.db2.gz JIQKQXVITQOTQI-MRXNPFEDSA-N 1 2 371.393 1.449 20 5 FDBDLO CCN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000471074743 538845091 /nfs/dbraw/zinc/84/50/91/538845091.db2.gz NEOTTWLPSLNNRH-HNNXBMFYSA-N 1 2 358.402 1.635 20 5 FDBDLO CCN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000471074745 538845138 /nfs/dbraw/zinc/84/51/38/538845138.db2.gz NEOTTWLPSLNNRH-OAHLLOKOSA-N 1 2 358.402 1.635 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000562700034 546231598 /nfs/dbraw/zinc/23/15/98/546231598.db2.gz DUSAVWUBQGGLPC-UHFFFAOYSA-N 1 2 359.386 1.943 20 5 FDBDLO C[C@@H](O)CNc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]cn1 ZINC000562727421 546244419 /nfs/dbraw/zinc/24/44/19/546244419.db2.gz SNFDWYOLMFUGGL-LLVKDONJSA-N 1 2 356.386 2.313 20 5 FDBDLO C[C@@H](O)CNc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc[nH+]1 ZINC000562727421 546244428 /nfs/dbraw/zinc/24/44/28/546244428.db2.gz SNFDWYOLMFUGGL-LLVKDONJSA-N 1 2 356.386 2.313 20 5 FDBDLO C[C@H](O)CNc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]cn1 ZINC000562727422 546244627 /nfs/dbraw/zinc/24/46/27/546244627.db2.gz SNFDWYOLMFUGGL-NSHDSACASA-N 1 2 356.386 2.313 20 5 FDBDLO C[C@H](O)CNc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc[nH+]1 ZINC000562727422 546244632 /nfs/dbraw/zinc/24/46/32/546244632.db2.gz SNFDWYOLMFUGGL-NSHDSACASA-N 1 2 356.386 2.313 20 5 FDBDLO COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000564628011 546976783 /nfs/dbraw/zinc/97/67/83/546976783.db2.gz BSUJHCVGSADQAK-HUUCEWRRSA-N 1 2 363.414 1.977 20 5 FDBDLO CCc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000566170817 547637740 /nfs/dbraw/zinc/63/77/40/547637740.db2.gz UVMGWRLSOZHDKI-GFCCVEGCSA-N 1 2 350.400 1.647 20 5 FDBDLO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000567330448 548079728 /nfs/dbraw/zinc/07/97/28/548079728.db2.gz IWRISRKAVJNBJC-MRXNPFEDSA-N 1 2 372.425 1.860 20 5 FDBDLO CNS(=O)(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000567532846 548152305 /nfs/dbraw/zinc/15/23/05/548152305.db2.gz OWGJZHBHCBWGHL-NWDGAFQWSA-N 1 2 372.447 1.024 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nccc(C(F)F)n1 ZINC000570836570 549430479 /nfs/dbraw/zinc/43/04/79/549430479.db2.gz GSSOQHFXZKUVTK-JTQLQIEISA-N 1 2 354.313 1.852 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000571498480 549666143 /nfs/dbraw/zinc/66/61/43/549666143.db2.gz RDEMJDZFPHTYNR-STQMWFEESA-N 1 2 351.407 1.184 20 5 FDBDLO CC(C)NC(=O)NCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000572019234 549825593 /nfs/dbraw/zinc/82/55/93/549825593.db2.gz RAJBQDWIVGRFPR-UHFFFAOYSA-N 1 2 363.418 1.060 20 5 FDBDLO CNc1nccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000576119628 550513064 /nfs/dbraw/zinc/51/30/64/550513064.db2.gz MJANAYLVXPDTKQ-UHFFFAOYSA-N 1 2 361.427 2.051 20 5 FDBDLO Cc1c[nH+]c(C)nc1NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000578906547 550814623 /nfs/dbraw/zinc/81/46/23/550814623.db2.gz OBVJATAYRJITQJ-UHFFFAOYSA-N 1 2 365.415 1.929 20 5 FDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000581553103 551103876 /nfs/dbraw/zinc/10/38/76/551103876.db2.gz BMJLGEWUNJCCLZ-CQSZACIVSA-N 1 2 350.419 1.499 20 5 FDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000581553103 551103877 /nfs/dbraw/zinc/10/38/77/551103877.db2.gz BMJLGEWUNJCCLZ-CQSZACIVSA-N 1 2 350.419 1.499 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000581778956 551135270 /nfs/dbraw/zinc/13/52/70/551135270.db2.gz GCUYANVJZYGYCI-INIZCTEOSA-N 1 2 371.397 1.716 20 5 FDBDLO O=c1n(CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)nc2ccccn21 ZINC000582150996 551183049 /nfs/dbraw/zinc/18/30/49/551183049.db2.gz BXJFBQSPCOBLIE-UHFFFAOYSA-N 1 2 355.354 1.299 20 5 FDBDLO O=c1n(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)nc2ccccn21 ZINC000582150996 551183050 /nfs/dbraw/zinc/18/30/50/551183050.db2.gz BXJFBQSPCOBLIE-UHFFFAOYSA-N 1 2 355.354 1.299 20 5 FDBDLO CN(C)c1[nH+]cccc1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000585703403 551584025 /nfs/dbraw/zinc/58/40/25/551584025.db2.gz DACBJXZLLXRPHC-UHFFFAOYSA-N 1 2 356.386 1.858 20 5 FDBDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1)CCCC2 ZINC000585817045 551610788 /nfs/dbraw/zinc/61/07/88/551610788.db2.gz AVTWAQLFSHRCDQ-ZDUSSCGKSA-N 1 2 359.390 1.162 20 5 FDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000587066286 551630063 /nfs/dbraw/zinc/63/00/63/551630063.db2.gz FTSNQTIMQLUOMG-ZDUSSCGKSA-N 1 2 371.397 1.373 20 5 FDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000587062387 551630184 /nfs/dbraw/zinc/63/01/84/551630184.db2.gz UQSOBKGMMVGDEL-LLVKDONJSA-N 1 2 353.342 1.117 20 5 FDBDLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000589305400 551724107 /nfs/dbraw/zinc/72/41/07/551724107.db2.gz FHQLMSBTLLUZBX-GFCCVEGCSA-N 1 2 355.416 1.071 20 5 FDBDLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000589305400 551724108 /nfs/dbraw/zinc/72/41/08/551724108.db2.gz FHQLMSBTLLUZBX-GFCCVEGCSA-N 1 2 355.416 1.071 20 5 FDBDLO COc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCOCC2)cc1 ZINC000590569362 551793388 /nfs/dbraw/zinc/79/33/88/551793388.db2.gz QSFZSWRHKGLFLR-MRXNPFEDSA-N 1 2 373.413 2.066 20 5 FDBDLO CC1(C)CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000590739095 551809873 /nfs/dbraw/zinc/80/98/73/551809873.db2.gz BDICWMGCBJSGAX-UHFFFAOYSA-N 1 2 363.414 1.473 20 5 FDBDLO CC1(C)CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000590739095 551809874 /nfs/dbraw/zinc/80/98/74/551809874.db2.gz BDICWMGCBJSGAX-UHFFFAOYSA-N 1 2 363.414 1.473 20 5 FDBDLO CCN1C(=O)[C@@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000591149375 551847346 /nfs/dbraw/zinc/84/73/46/551847346.db2.gz UYPJDSHRBOWLQE-AWEZNQCLSA-N 1 2 355.354 1.616 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000592004399 551925278 /nfs/dbraw/zinc/92/52/78/551925278.db2.gz LFNUOGZGMSKBEV-UKRRQHHQSA-N 1 2 372.381 1.720 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000592192608 551956235 /nfs/dbraw/zinc/95/62/35/551956235.db2.gz CIZUMFACRSONCA-YPMHNXCESA-N 1 2 362.342 1.001 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000592192608 551956237 /nfs/dbraw/zinc/95/62/37/551956237.db2.gz CIZUMFACRSONCA-YPMHNXCESA-N 1 2 362.342 1.001 20 5 FDBDLO COCCN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101239 552062275 /nfs/dbraw/zinc/06/22/75/552062275.db2.gz NZRVSZQBFLETBL-OAHLLOKOSA-N 1 2 367.446 1.377 20 5 FDBDLO COCCN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101239 552062277 /nfs/dbraw/zinc/06/22/77/552062277.db2.gz NZRVSZQBFLETBL-OAHLLOKOSA-N 1 2 367.446 1.377 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593153810 552067886 /nfs/dbraw/zinc/06/78/86/552067886.db2.gz WGSBVFLVRXZDRV-IUODEOHRSA-N 1 2 351.378 1.598 20 5 FDBDLO Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(Br)cc1[N+](=O)[O-] ZINC000593502969 552118202 /nfs/dbraw/zinc/11/82/02/552118202.db2.gz GMZBBBLHUNTGQX-LLVKDONJSA-N 1 2 356.220 1.921 20 5 FDBDLO Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(Br)cc1[N+](=O)[O-] ZINC000593502969 552118203 /nfs/dbraw/zinc/11/82/03/552118203.db2.gz GMZBBBLHUNTGQX-LLVKDONJSA-N 1 2 356.220 1.921 20 5 FDBDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593598052 552147630 /nfs/dbraw/zinc/14/76/30/552147630.db2.gz HFUFVJHRVKWADW-UHFFFAOYSA-N 1 2 362.411 1.495 20 5 FDBDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593598052 552147631 /nfs/dbraw/zinc/14/76/31/552147631.db2.gz HFUFVJHRVKWADW-UHFFFAOYSA-N 1 2 362.411 1.495 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593847239 552208446 /nfs/dbraw/zinc/20/84/46/552208446.db2.gz BWZGJNSDZYWPKE-CQSZACIVSA-N 1 2 357.414 1.879 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593847239 552208448 /nfs/dbraw/zinc/20/84/48/552208448.db2.gz BWZGJNSDZYWPKE-CQSZACIVSA-N 1 2 357.414 1.879 20 5 FDBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593847239 552208451 /nfs/dbraw/zinc/20/84/51/552208451.db2.gz BWZGJNSDZYWPKE-CQSZACIVSA-N 1 2 357.414 1.879 20 5 FDBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000593847239 552208452 /nfs/dbraw/zinc/20/84/52/552208452.db2.gz BWZGJNSDZYWPKE-CQSZACIVSA-N 1 2 357.414 1.879 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000593886742 552217814 /nfs/dbraw/zinc/21/78/14/552217814.db2.gz OANGOVXPFJZFIS-UHFFFAOYSA-N 1 2 351.403 1.324 20 5 FDBDLO Cc1c[nH+]c(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)c(C)c1 ZINC000594594868 552338734 /nfs/dbraw/zinc/33/87/34/552338734.db2.gz ACOFMIQFJHVIOB-UHFFFAOYSA-N 1 2 350.400 1.909 20 5 FDBDLO C[C@@H]1C[N@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000594817963 552397135 /nfs/dbraw/zinc/39/71/35/552397135.db2.gz WROPCSRHPZGCFH-CHWSQXEVSA-N 1 2 357.432 1.123 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000594817963 552397138 /nfs/dbraw/zinc/39/71/38/552397138.db2.gz WROPCSRHPZGCFH-CHWSQXEVSA-N 1 2 357.432 1.123 20 5 FDBDLO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1)N1CCOCC1 ZINC000595550297 552582580 /nfs/dbraw/zinc/58/25/80/552582580.db2.gz PCYAQMJOVFVXGK-UHFFFAOYSA-N 1 2 366.393 1.740 20 5 FDBDLO C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1[nH+]ccn1C ZINC000595844357 552622159 /nfs/dbraw/zinc/62/21/59/552622159.db2.gz HVOJIIMALIXOIH-ZDUSSCGKSA-N 1 2 358.402 1.921 20 5 FDBDLO COC(=O)c1c(Cl)c(N2CC[NH+](CCCO)CC2)ccc1[N+](=O)[O-] ZINC000596097011 552654789 /nfs/dbraw/zinc/65/47/89/552654789.db2.gz BWUJGMCZKWIRDP-UHFFFAOYSA-N 1 2 357.794 1.539 20 5 FDBDLO CCOC(=O)c1ccnc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596246815 552667920 /nfs/dbraw/zinc/66/79/20/552667920.db2.gz HPZZEKRAGMESBU-CYBMUJFWSA-N 1 2 364.402 1.468 20 5 FDBDLO COC(=O)c1c(Cl)c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000596296693 552671958 /nfs/dbraw/zinc/67/19/58/552671958.db2.gz YROGFMZIFDTYOW-SNVBAGLBSA-N 1 2 355.778 1.290 20 5 FDBDLO COC(=O)c1c(Cl)c(N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000596296693 552671959 /nfs/dbraw/zinc/67/19/59/552671959.db2.gz YROGFMZIFDTYOW-SNVBAGLBSA-N 1 2 355.778 1.290 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596843873 552717095 /nfs/dbraw/zinc/71/70/95/552717095.db2.gz LKBRGMGGEYFLCN-VXGBXAGGSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596843873 552717096 /nfs/dbraw/zinc/71/70/96/552717096.db2.gz LKBRGMGGEYFLCN-VXGBXAGGSA-N 1 2 352.391 1.834 20 5 FDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597263336 552766547 /nfs/dbraw/zinc/76/65/47/552766547.db2.gz DLGQURQEIAHWCV-MRVWCRGKSA-N 1 2 356.386 1.540 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)n1 ZINC000597621793 552813211 /nfs/dbraw/zinc/81/32/11/552813211.db2.gz MDRDYUJGOGDLNC-UHFFFAOYSA-N 1 2 363.378 1.110 20 5 FDBDLO COc1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000597992107 552853385 /nfs/dbraw/zinc/85/33/85/552853385.db2.gz AFTLJNFUOOOTHG-NEPJUHHUSA-N 1 2 351.403 1.751 20 5 FDBDLO COc1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000597992107 552853386 /nfs/dbraw/zinc/85/33/86/552853386.db2.gz AFTLJNFUOOOTHG-NEPJUHHUSA-N 1 2 351.403 1.751 20 5 FDBDLO CCOc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597996636 552854528 /nfs/dbraw/zinc/85/45/28/552854528.db2.gz KPCANBODQMGLBW-OLZOCXBDSA-N 1 2 351.403 1.833 20 5 FDBDLO CCOc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000597996636 552854529 /nfs/dbraw/zinc/85/45/29/552854529.db2.gz KPCANBODQMGLBW-OLZOCXBDSA-N 1 2 351.403 1.833 20 5 FDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597996872 552855104 /nfs/dbraw/zinc/85/51/04/552855104.db2.gz QRZKXSGVVKYFJJ-OLZOCXBDSA-N 1 2 351.403 1.833 20 5 FDBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597996872 552855106 /nfs/dbraw/zinc/85/51/06/552855106.db2.gz QRZKXSGVVKYFJJ-OLZOCXBDSA-N 1 2 351.403 1.833 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000598179349 552872728 /nfs/dbraw/zinc/87/27/28/552872728.db2.gz ZVMQCTGOBITYRD-KBPBESRZSA-N 1 2 369.381 1.521 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000598603841 552914033 /nfs/dbraw/zinc/91/40/33/552914033.db2.gz KPGBPTXQKDAXKX-GFCCVEGCSA-N 1 2 371.459 1.458 20 5 FDBDLO Cc1cccc(CCCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[nH+]1 ZINC000598625712 552917480 /nfs/dbraw/zinc/91/74/80/552917480.db2.gz UTKQORUVSSFAPW-UHFFFAOYSA-N 1 2 358.402 1.970 20 5 FDBDLO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000598909448 552943559 /nfs/dbraw/zinc/94/35/59/552943559.db2.gz ZKQBSBMYYBMVFF-GFCCVEGCSA-N 1 2 358.358 1.044 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000599016346 552958271 /nfs/dbraw/zinc/95/82/71/552958271.db2.gz QSZIJGSOMGBSDK-UHFFFAOYSA-N 1 2 369.425 1.887 20 5 FDBDLO COCCO[C@H]1C[C@H](CO)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599073036 552964876 /nfs/dbraw/zinc/96/48/76/552964876.db2.gz KFHSVZGXGQYFDA-ZFWWWQNUSA-N 1 2 361.398 1.993 20 5 FDBDLO CC(C)NS(=O)(=O)NCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599074313 552965064 /nfs/dbraw/zinc/96/50/64/552965064.db2.gz PWIJOSUOBJMVCR-UHFFFAOYSA-N 1 2 353.404 1.387 20 5 FDBDLO COc1cccc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1[N+](=O)[O-] ZINC000599130399 552971765 /nfs/dbraw/zinc/97/17/65/552971765.db2.gz HHXAPQNJYSUSJL-KRWDZBQOSA-N 1 2 351.403 1.631 20 5 FDBDLO COc1cccc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1[N+](=O)[O-] ZINC000599130399 552971767 /nfs/dbraw/zinc/97/17/67/552971767.db2.gz HHXAPQNJYSUSJL-KRWDZBQOSA-N 1 2 351.403 1.631 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000599570710 553091748 /nfs/dbraw/zinc/09/17/48/553091748.db2.gz VJDAQBWNIAIJJN-INIZCTEOSA-N 1 2 351.359 1.106 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000599570710 553091750 /nfs/dbraw/zinc/09/17/50/553091750.db2.gz VJDAQBWNIAIJJN-INIZCTEOSA-N 1 2 351.359 1.106 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632268 553108718 /nfs/dbraw/zinc/10/87/18/553108718.db2.gz VGULXJCCOPAWTE-VLFKAIERSA-N 1 2 351.428 1.907 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632268 553108721 /nfs/dbraw/zinc/10/87/21/553108721.db2.gz VGULXJCCOPAWTE-VLFKAIERSA-N 1 2 351.428 1.907 20 5 FDBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000599691292 553122554 /nfs/dbraw/zinc/12/25/54/553122554.db2.gz DIUKFZATOIADJQ-NSHDSACASA-N 1 2 368.415 1.497 20 5 FDBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000599691292 553122555 /nfs/dbraw/zinc/12/25/55/553122555.db2.gz DIUKFZATOIADJQ-NSHDSACASA-N 1 2 368.415 1.497 20 5 FDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600417722 553264164 /nfs/dbraw/zinc/26/41/64/553264164.db2.gz AJODVTHIVYLWCZ-SNVBAGLBSA-N 1 2 358.192 1.418 20 5 FDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600417722 553264166 /nfs/dbraw/zinc/26/41/66/553264166.db2.gz AJODVTHIVYLWCZ-SNVBAGLBSA-N 1 2 358.192 1.418 20 5 FDBDLO COC(=O)[C@](C)(NC(=O)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000600541469 553282826 /nfs/dbraw/zinc/28/28/26/553282826.db2.gz VPAFVYYPBKITQH-QGZVFWFLSA-N 1 2 360.370 1.776 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000600680640 553298909 /nfs/dbraw/zinc/29/89/09/553298909.db2.gz GBAFSQLTSQOMGB-AWEZNQCLSA-N 1 2 362.411 1.682 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1csc([N+](=O)[O-])c1 ZINC000600680640 553298910 /nfs/dbraw/zinc/29/89/10/553298910.db2.gz GBAFSQLTSQOMGB-AWEZNQCLSA-N 1 2 362.411 1.682 20 5 FDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601010562 553339287 /nfs/dbraw/zinc/33/92/87/553339287.db2.gz KZFJRXXKUDHVSM-INIZCTEOSA-N 1 2 369.418 1.672 20 5 FDBDLO CC(C)(C(=O)N1CC[NH+](CCc2ccncc2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000602199074 553538332 /nfs/dbraw/zinc/53/83/32/553538332.db2.gz MIBRLULCNNCUJT-UHFFFAOYSA-N 1 2 372.429 1.308 20 5 FDBDLO Cn1cc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c([N+](=O)[O-])n1 ZINC000602469676 553588024 /nfs/dbraw/zinc/58/80/24/553588024.db2.gz VTJGRYQNARVWKJ-UHFFFAOYSA-N 1 2 359.415 1.655 20 5 FDBDLO Cn1cc(C[N@@H+]2CCn3c(Cc4ccccc4)nnc3C2)c([N+](=O)[O-])n1 ZINC000602475189 553589421 /nfs/dbraw/zinc/58/94/21/553589421.db2.gz XWUDEKXYLUUQOD-UHFFFAOYSA-N 1 2 353.386 1.526 20 5 FDBDLO Cn1cc(C[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)c([N+](=O)[O-])n1 ZINC000602475189 553589422 /nfs/dbraw/zinc/58/94/22/553589422.db2.gz XWUDEKXYLUUQOD-UHFFFAOYSA-N 1 2 353.386 1.526 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000602761518 553633058 /nfs/dbraw/zinc/63/30/58/553633058.db2.gz DVKLODVBSAQYIC-LLVKDONJSA-N 1 2 362.415 1.193 20 5 FDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1(C)C ZINC000603374733 553774636 /nfs/dbraw/zinc/77/46/36/553774636.db2.gz NTHNHLVIHMMCSH-UHFFFAOYSA-N 1 2 364.427 1.858 20 5 FDBDLO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1(C)C ZINC000603374733 553774638 /nfs/dbraw/zinc/77/46/38/553774638.db2.gz NTHNHLVIHMMCSH-UHFFFAOYSA-N 1 2 364.427 1.858 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(Cn2cc[nH+]c2CN2CCOCC2)c1 ZINC000603419924 553783697 /nfs/dbraw/zinc/78/36/97/553783697.db2.gz CLCFNCFTNRUTAT-UHFFFAOYSA-N 1 2 360.370 1.458 20 5 FDBDLO CCOC(=O)c1ccnc(NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000609960902 554444403 /nfs/dbraw/zinc/44/44/03/554444403.db2.gz WZEMOUOHCAKTCR-UHFFFAOYSA-N 1 2 352.391 1.689 20 5 FDBDLO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc2[nH+]ccn21 ZINC000610210338 554473899 /nfs/dbraw/zinc/47/38/99/554473899.db2.gz KCEWQMWBZZOENY-UHFFFAOYSA-N 1 2 353.294 1.789 20 5 FDBDLO CCOCCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000610212240 554474179 /nfs/dbraw/zinc/47/41/79/554474179.db2.gz VREGWZWMWMHGEW-UHFFFAOYSA-N 1 2 371.459 1.636 20 5 FDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000610212174 554474202 /nfs/dbraw/zinc/47/42/02/554474202.db2.gz NJAVWQQGJVHPNG-UHFFFAOYSA-N 1 2 363.399 1.464 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CCCS1(=O)=O ZINC000610604251 554537905 /nfs/dbraw/zinc/53/79/05/554537905.db2.gz JXZANXRLJNYMTB-UHFFFAOYSA-N 1 2 371.459 1.849 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604251 554537907 /nfs/dbraw/zinc/53/79/07/554537907.db2.gz JXZANXRLJNYMTB-UHFFFAOYSA-N 1 2 371.459 1.849 20 5 FDBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610723814 554554659 /nfs/dbraw/zinc/55/46/59/554554659.db2.gz DWTRWILZAOUWER-AWEZNQCLSA-N 1 2 351.428 1.620 20 5 FDBDLO CCC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000611252254 554619532 /nfs/dbraw/zinc/61/95/32/554619532.db2.gz NODMFXHIDFKHCE-ZDUSSCGKSA-N 1 2 370.427 1.765 20 5 FDBDLO CCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000611252254 554619534 /nfs/dbraw/zinc/61/95/34/554619534.db2.gz 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COc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)c([N+](=O)[O-])cc1F ZINC000613380356 554919381 /nfs/dbraw/zinc/91/93/81/554919381.db2.gz LFTCGNUXHDWQLO-UHFFFAOYSA-N 1 2 361.395 1.210 20 5 FDBDLO COc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)c([N+](=O)[O-])cc1F ZINC000613380356 554919383 /nfs/dbraw/zinc/91/93/83/554919383.db2.gz LFTCGNUXHDWQLO-UHFFFAOYSA-N 1 2 361.395 1.210 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000617243817 555406136 /nfs/dbraw/zinc/40/61/36/555406136.db2.gz XIGMJQVONJOKPX-GXTWGEPZSA-N 1 2 357.432 1.209 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000617243817 555406137 /nfs/dbraw/zinc/40/61/37/555406137.db2.gz XIGMJQVONJOKPX-GXTWGEPZSA-N 1 2 357.432 1.209 20 5 FDBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCO2 ZINC000619431773 555775820 /nfs/dbraw/zinc/77/58/20/555775820.db2.gz XKCZBEHFCLNUOO-SJCJKPOMSA-N 1 2 350.371 1.746 20 5 FDBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CCO2 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Cc1cc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000279351041 675280615 /nfs/dbraw/zinc/28/06/15/675280615.db2.gz QXTDJMLRVVHIHR-UHFFFAOYSA-N 1 2 350.419 1.668 20 5 FDBDLO Cc1cc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000279351041 675280619 /nfs/dbraw/zinc/28/06/19/675280619.db2.gz QXTDJMLRVVHIHR-UHFFFAOYSA-N 1 2 350.419 1.668 20 5 FDBDLO CCOCC[NH+]1CCN(C(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 ZINC000284008769 675667264 /nfs/dbraw/zinc/66/72/64/675667264.db2.gz NZCPUHICHRHMLJ-UHFFFAOYSA-N 1 2 351.403 1.788 20 5 FDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)[C@H](C)C1 ZINC000285240910 675809180 /nfs/dbraw/zinc/80/91/80/675809180.db2.gz GOSHOIGWHCGLRV-LLVKDONJSA-N 1 2 371.415 1.096 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)[C@H](C)C1 ZINC000285240910 675809182 /nfs/dbraw/zinc/80/91/82/675809182.db2.gz GOSHOIGWHCGLRV-LLVKDONJSA-N 1 2 371.415 1.096 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372110682 677844851 /nfs/dbraw/zinc/84/48/51/677844851.db2.gz HNVBHNUBPKXHJD-CQSZACIVSA-N 1 2 353.806 1.724 20 5 FDBDLO Cc1sc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000377749454 678604188 /nfs/dbraw/zinc/60/41/88/678604188.db2.gz ZOGMYDRTKWPGOL-CYBMUJFWSA-N 1 2 368.459 1.101 20 5 FDBDLO O=C1NCCCC[C@@H]1[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000378041462 678678313 /nfs/dbraw/zinc/67/83/13/678678313.db2.gz GPIWSLDCWNSALD-NSHDSACASA-N 1 2 364.431 1.095 20 5 FDBDLO Cc1ncccc1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420969595 680581990 /nfs/dbraw/zinc/58/19/90/680581990.db2.gz CPRCRRXEPDAHOV-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO Cc1ncccc1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420969595 680581994 /nfs/dbraw/zinc/58/19/94/680581994.db2.gz CPRCRRXEPDAHOV-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO COCC(C)(C)[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000424990965 680866472 /nfs/dbraw/zinc/86/64/72/680866472.db2.gz MTFXHFJVYUGMNE-UHFFFAOYSA-N 1 2 353.423 1.624 20 5 FDBDLO COCC(C)(C)[NH+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000424990965 680866473 /nfs/dbraw/zinc/86/64/73/680866473.db2.gz MTFXHFJVYUGMNE-UHFFFAOYSA-N 1 2 353.423 1.624 20 5 FDBDLO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C(F)(F)F)O1 ZINC000428930593 681018121 /nfs/dbraw/zinc/01/81/21/681018121.db2.gz XMGLCFHAYCQRRC-GHMZBOCLSA-N 1 2 352.313 1.194 20 5 FDBDLO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C(F)(F)F)O1 ZINC000428930593 681018123 /nfs/dbraw/zinc/01/81/23/681018123.db2.gz XMGLCFHAYCQRRC-GHMZBOCLSA-N 1 2 352.313 1.194 20 5 FDBDLO COc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000474411220 685405375 /nfs/dbraw/zinc/40/53/75/685405375.db2.gz JRYXLMJDSFZZOC-OAHLLOKOSA-N 1 2 351.403 1.690 20 5 FDBDLO Cc1c(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000434419994 681251115 /nfs/dbraw/zinc/25/11/15/681251115.db2.gz CRWQCKSMVUEASP-ZDUSSCGKSA-N 1 2 350.419 1.765 20 5 FDBDLO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCS(=O)(=O)C1 ZINC000448635200 682628292 /nfs/dbraw/zinc/62/82/92/682628292.db2.gz OZVAUZDBQFAXRX-OAHLLOKOSA-N 1 2 364.383 1.088 20 5 FDBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000451544428 682898533 /nfs/dbraw/zinc/89/85/33/682898533.db2.gz MSNBJXISPXLQLE-MFKMUULPSA-N 1 2 351.359 1.619 20 5 FDBDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C ZINC000451544428 682898537 /nfs/dbraw/zinc/89/85/37/682898537.db2.gz MSNBJXISPXLQLE-MFKMUULPSA-N 1 2 351.359 1.619 20 5 FDBDLO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000451665740 682917459 /nfs/dbraw/zinc/91/74/59/682917459.db2.gz FTRPSRBLWOFHAQ-NSHDSACASA-N 1 2 363.461 1.090 20 5 FDBDLO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000451665740 682917465 /nfs/dbraw/zinc/91/74/65/682917465.db2.gz FTRPSRBLWOFHAQ-NSHDSACASA-N 1 2 363.461 1.090 20 5 FDBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000451929657 682971053 /nfs/dbraw/zinc/97/10/53/682971053.db2.gz HJGYLWWMMGHJNJ-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000451929657 682971055 /nfs/dbraw/zinc/97/10/55/682971055.db2.gz HJGYLWWMMGHJNJ-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000463093902 684673618 /nfs/dbraw/zinc/67/36/18/684673618.db2.gz LCSDFXFYQAPSBM-LLVKDONJSA-N 1 2 350.404 1.153 20 5 FDBDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC000469864521 684990638 /nfs/dbraw/zinc/99/06/38/684990638.db2.gz VFFQKLKUJHWHRE-ZYHUDNBSSA-N 1 2 351.359 1.425 20 5 FDBDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1C ZINC000469864521 684990639 /nfs/dbraw/zinc/99/06/39/684990639.db2.gz VFFQKLKUJHWHRE-ZYHUDNBSSA-N 1 2 351.359 1.425 20 5 FDBDLO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000493917125 687472289 /nfs/dbraw/zinc/47/22/89/687472289.db2.gz PCAPEUAAEYZTJX-UHFFFAOYSA-N 1 2 374.163 1.230 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCNc2cccc[nH+]2)c1C ZINC000531578173 694841712 /nfs/dbraw/zinc/84/17/12/694841712.db2.gz MQXOFUHKXXQYBP-UHFFFAOYSA-N 1 2 350.400 1.997 20 5 FDBDLO COc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000531611150 694843176 /nfs/dbraw/zinc/84/31/76/694843176.db2.gz BRFZJXXHLUXZTR-UHFFFAOYSA-N 1 2 352.372 1.389 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])n1 ZINC000532855363 694892550 /nfs/dbraw/zinc/89/25/50/694892550.db2.gz SFUKPGNRCRDPGE-UHFFFAOYSA-N 1 2 354.392 1.103 20 5 FDBDLO COC(=O)c1cnc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000478260309 782658665 /nfs/dbraw/zinc/65/86/65/782658665.db2.gz NJAGEAKGBJAHHG-CQSZACIVSA-N 1 2 366.418 1.935 20 5 FDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)no1 ZINC000478342773 782694670 /nfs/dbraw/zinc/69/46/70/782694670.db2.gz GFANHINNLFEXEU-LLVKDONJSA-N 1 2 363.378 1.136 20 5 FDBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)no1 ZINC000478342773 782694684 /nfs/dbraw/zinc/69/46/84/782694684.db2.gz GFANHINNLFEXEU-LLVKDONJSA-N 1 2 363.378 1.136 20 5 FDBDLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCCn1ccc([N+](=O)[O-])n1 ZINC000748128389 773199571 /nfs/dbraw/zinc/19/95/71/773199571.db2.gz GPFQIPHXXYHOKI-INIZCTEOSA-N 1 2 374.397 1.626 20 5 FDBDLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCn1ccc([N+](=O)[O-])n1 ZINC000748128389 773199574 /nfs/dbraw/zinc/19/95/74/773199574.db2.gz GPFQIPHXXYHOKI-INIZCTEOSA-N 1 2 374.397 1.626 20 5 FDBDLO O=C(C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000255512132 774323670 /nfs/dbraw/zinc/32/36/70/774323670.db2.gz KUTKAXPDSNIJJE-ALCCZGGFSA-N 1 2 358.442 1.848 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364952813 785247567 /nfs/dbraw/zinc/24/75/67/785247567.db2.gz DKTOMDSNYKIKQE-WHOFXGATSA-N 1 2 357.370 1.731 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364952813 785247575 /nfs/dbraw/zinc/24/75/75/785247575.db2.gz DKTOMDSNYKIKQE-WHOFXGATSA-N 1 2 357.370 1.731 20 5 FDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000376378075 787523426 /nfs/dbraw/zinc/52/34/26/787523426.db2.gz XZCYOOJQWJHZCP-OAHLLOKOSA-N 1 2 362.430 1.183 20 5 FDBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000376378075 787523439 /nfs/dbraw/zinc/52/34/39/787523439.db2.gz XZCYOOJQWJHZCP-OAHLLOKOSA-N 1 2 362.430 1.183 20 5 FDBDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000377314859 791515873 /nfs/dbraw/zinc/51/58/73/791515873.db2.gz QDJNNJWHLNCMNH-ZBFHGGJFSA-N 1 2 365.434 1.456 20 5 FDBDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000377314859 791515890 /nfs/dbraw/zinc/51/58/90/791515890.db2.gz QDJNNJWHLNCMNH-ZBFHGGJFSA-N 1 2 365.434 1.456 20 5 FDBDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000377314857 791515987 /nfs/dbraw/zinc/51/59/87/791515987.db2.gz QDJNNJWHLNCMNH-GOEBONIOSA-N 1 2 365.434 1.456 20 5 FDBDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000377314857 791515997 /nfs/dbraw/zinc/51/59/97/791515997.db2.gz QDJNNJWHLNCMNH-GOEBONIOSA-N 1 2 365.434 1.456 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775332 792009486 /nfs/dbraw/zinc/00/94/86/792009486.db2.gz PXZXZAVAROVLPL-QFXBJFAPSA-N 1 2 368.393 1.553 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)on3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775332 792009495 /nfs/dbraw/zinc/00/94/95/792009495.db2.gz PXZXZAVAROVLPL-QFXBJFAPSA-N 1 2 368.393 1.553 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290476331 793442790 /nfs/dbraw/zinc/44/27/90/793442790.db2.gz ZKVHZUVTDBBSTD-UHFFFAOYSA-N 1 2 359.342 1.171 20 5 FDBDLO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000378213473 793720127 /nfs/dbraw/zinc/72/01/27/793720127.db2.gz WUGRMGWIUNBDMH-PMPSAXMXSA-N 1 2 355.398 1.934 20 5 FDBDLO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000378213473 793720130 /nfs/dbraw/zinc/72/01/30/793720130.db2.gz WUGRMGWIUNBDMH-PMPSAXMXSA-N 1 2 355.398 1.934 20 5 FDBDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC1)CCCC2 ZINC000378579779 794345760 /nfs/dbraw/zinc/34/57/60/794345760.db2.gz KCSMTDVDOUPYEV-UHFFFAOYSA-N 1 2 373.413 1.987 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000412439909 794865001 /nfs/dbraw/zinc/86/50/01/794865001.db2.gz YMUIEZOZBWQCHZ-UHFFFAOYSA-N 1 2 367.402 1.023 20 5 FDBDLO COC(=O)[C@H](CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000412502932 795867345 /nfs/dbraw/zinc/86/73/45/795867345.db2.gz MXGXBAXVOWPEFR-ZDUSSCGKSA-N 1 2 358.354 1.852 20 5 FDBDLO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1[NH+]1CCOCC1 ZINC000433780128 811449131 /nfs/dbraw/zinc/44/91/31/811449131.db2.gz AIDIXEQYPRETSB-DOMZBBRYSA-N 1 2 359.386 1.802 20 5 FDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366784925 813956877 /nfs/dbraw/zinc/95/68/77/813956877.db2.gz FOMYAEOLOSWBBQ-LERXQTSPSA-N 1 2 373.369 1.295 20 5 FDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366784925 813956879 /nfs/dbraw/zinc/95/68/79/813956879.db2.gz FOMYAEOLOSWBBQ-LERXQTSPSA-N 1 2 373.369 1.295 20 5 FDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421779241 814299055 /nfs/dbraw/zinc/29/90/55/814299055.db2.gz LEWIZVWXLXXQSV-AWEZNQCLSA-N 1 2 363.414 1.921 20 5 FDBDLO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436921485 816794890 /nfs/dbraw/zinc/79/48/90/816794890.db2.gz TWDSABCRJPROBB-UHFFFAOYSA-N 1 2 358.354 1.666 20 5 FDBDLO 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001093536400 958317122 /nfs/dbraw/zinc/31/71/22/958317122.db2.gz ILNNTGWXZBKVEV-QZTJIDSGSA-N 1 2 359.426 1.544 20 5 FDBDLO COC(=O)C1(O)CC[NH+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173193690 961960231 /nfs/dbraw/zinc/96/02/31/961960231.db2.gz VCUANBLKAAQLJE-NSHDSACASA-N 1 2 370.377 1.673 20 5 FDBDLO CONC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001175925332 963326992 /nfs/dbraw/zinc/32/69/92/963326992.db2.gz IVRIGMGZZVAJBU-LLVKDONJSA-N 1 2 350.375 1.311 20 5 FDBDLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001176602544 963498854 /nfs/dbraw/zinc/49/88/54/963498854.db2.gz KGCVLHNGRVCVJP-NSHDSACASA-N 1 2 351.750 1.058 20 5 FDBDLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001176602544 963498861 /nfs/dbraw/zinc/49/88/61/963498861.db2.gz KGCVLHNGRVCVJP-NSHDSACASA-N 1 2 351.750 1.058 20 5 FDBDLO 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365.405 1.990 20 5 FDBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC001202425338 975299915 /nfs/dbraw/zinc/29/99/15/975299915.db2.gz OIMZUSRXXCRZDJ-LBPRGKRZSA-N 1 2 352.391 1.836 20 5 FDBDLO COCC[N@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCOC1 ZINC000848485520 976821508 /nfs/dbraw/zinc/82/15/08/976821508.db2.gz PCGKPNFVFQEKPT-IAGOWNOFSA-N 1 2 363.414 1.606 20 5 FDBDLO COCC[N@@H+](CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O)[C@@H]1CCOC1 ZINC000848485520 976821518 /nfs/dbraw/zinc/82/15/18/976821518.db2.gz PCGKPNFVFQEKPT-IAGOWNOFSA-N 1 2 363.414 1.606 20 5 FDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848587344 976920638 /nfs/dbraw/zinc/92/06/38/976920638.db2.gz FMHSURGZVGPJQP-SNVBAGLBSA-N 1 2 352.297 1.894 20 5 FDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000857945401 981758054 /nfs/dbraw/zinc/75/80/54/981758054.db2.gz QYMFNYCVLONSCO-CYBMUJFWSA-N 1 2 371.397 1.373 20 5 FDBDLO 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ZINC000370243503 989585897 /nfs/dbraw/zinc/58/58/97/989585897.db2.gz NNNUSBMEOQUVHI-GFCCVEGCSA-N 1 2 371.397 1.842 20 5 FDBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370416700 989727337 /nfs/dbraw/zinc/72/73/37/989727337.db2.gz UUPZMUDAYVQZCN-INIZCTEOSA-N 1 2 374.441 1.742 20 5 FDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000874704035 990464004 /nfs/dbraw/zinc/46/40/04/990464004.db2.gz UHOVEVXKLSOFPD-HNNXBMFYSA-N 1 2 360.414 1.777 20 5 FDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000874704035 990464010 /nfs/dbraw/zinc/46/40/10/990464010.db2.gz UHOVEVXKLSOFPD-HNNXBMFYSA-N 1 2 360.414 1.777 20 5 FDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000874707067 990471701 /nfs/dbraw/zinc/47/17/01/990471701.db2.gz FMJCBBBBPVMPMM-CYBMUJFWSA-N 1 2 358.398 1.984 20 5 FDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000874707067 990471709 /nfs/dbraw/zinc/47/17/09/990471709.db2.gz 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ZINC000104418119 172379662 /nfs/dbraw/zinc/37/96/62/172379662.db2.gz LFNGVFDJGMSWIC-UHFFFAOYSA-N 1 2 373.369 1.215 20 5 FDBDLO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104599464 172382203 /nfs/dbraw/zinc/38/22/03/172382203.db2.gz YCXLBQBBGVEBQH-VXGBXAGGSA-N 1 2 366.374 1.650 20 5 FDBDLO COc1ccnc(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137037847 173367538 /nfs/dbraw/zinc/36/75/38/173367538.db2.gz ZTVCWWHSBMDVQY-OAHLLOKOSA-N 1 2 359.386 1.249 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177232642 174115806 /nfs/dbraw/zinc/11/58/06/174115806.db2.gz HJXDCAWHYHENKP-RHSMWYFYSA-N 1 2 362.430 1.494 20 5 FDBDLO C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177363832 174124736 /nfs/dbraw/zinc/12/47/36/174124736.db2.gz QWPZSMJVBBEUJO-JSGCOSHPSA-N 1 2 360.370 1.704 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178438752 174188343 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YQDQXNUXCAGEQA-ZDUSSCGKSA-N 1 2 370.413 1.842 20 5 FDBDLO Cc1cc(N2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n[nH]1 ZINC000187226368 258385567 /nfs/dbraw/zinc/38/55/67/258385567.db2.gz BRGZUNGXIZKBEC-UHFFFAOYSA-N 1 2 369.385 1.999 20 5 FDBDLO Cc1nn(C)c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000193895714 258394032 /nfs/dbraw/zinc/39/40/32/258394032.db2.gz HXUWMZHZCXTAMF-UHFFFAOYSA-N 1 2 357.414 1.903 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c1 ZINC000281648029 258671682 /nfs/dbraw/zinc/67/16/82/258671682.db2.gz RNVXLZBYQMZXNH-HNNXBMFYSA-N 1 2 364.446 1.424 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NCc1cc(C(N)=O)co1)c1ccc([N+](=O)[O-])cc1 ZINC000556891432 544218294 /nfs/dbraw/zinc/21/82/94/544218294.db2.gz FJHXENIJADSYSS-OAHLLOKOSA-N 1 2 355.354 1.899 20 5 FDBDLO CC[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCO[C@H](CC)C1 ZINC000559296817 544634151 /nfs/dbraw/zinc/63/41/51/544634151.db2.gz SOLSVVUYXFJYQZ-DOMZBBRYSA-N 1 2 361.402 2.299 20 5 FDBDLO CC[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1CCO[C@H](CC)C1 ZINC000559296817 544634153 /nfs/dbraw/zinc/63/41/53/544634153.db2.gz SOLSVVUYXFJYQZ-DOMZBBRYSA-N 1 2 361.402 2.299 20 5 FDBDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)c[nH+]2)C[C@H](C)O1 ZINC000301095840 259020918 /nfs/dbraw/zinc/02/09/18/259020918.db2.gz MRGTWIPMBFYOSU-QWRGUYRKSA-N 1 2 359.390 1.588 20 5 FDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000301185833 259022855 /nfs/dbraw/zinc/02/28/55/259022855.db2.gz JWPQNJTUXOCSIG-CQSZACIVSA-N 1 2 361.446 1.868 20 5 FDBDLO COc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301865862 259034860 /nfs/dbraw/zinc/03/48/60/259034860.db2.gz MUEJAVKTCCWZDY-NSHDSACASA-N 1 2 366.393 1.532 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])n1 ZINC000331857107 259224641 /nfs/dbraw/zinc/22/46/41/259224641.db2.gz ROLFZEJUKCGXKU-NEPJUHHUSA-N 1 2 368.419 1.280 20 5 FDBDLO 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O=C1[C@H]([N@@H+]2CCO[C@@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367231891 260013248 /nfs/dbraw/zinc/01/32/48/260013248.db2.gz RGQOQRUBGPTYPY-AEFFLSMTSA-N 1 2 361.398 1.582 20 5 FDBDLO O=C1[C@H]([N@H+]2CCO[C@@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367231891 260013249 /nfs/dbraw/zinc/01/32/49/260013249.db2.gz RGQOQRUBGPTYPY-AEFFLSMTSA-N 1 2 361.398 1.582 20 5 FDBDLO O=c1[nH]c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000367442827 260042467 /nfs/dbraw/zinc/04/24/67/260042467.db2.gz LLODYQJKIVXWKT-AWEZNQCLSA-N 1 2 370.369 1.917 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367523727 260054800 /nfs/dbraw/zinc/05/48/00/260054800.db2.gz GFUNBIXZKFJTBG-LBPRGKRZSA-N 1 2 357.457 1.407 20 5 FDBDLO COc1ccccc1[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000367562819 260061441 /nfs/dbraw/zinc/06/14/41/260061441.db2.gz JEUPVSLSNOPYMR-CQSZACIVSA-N 1 2 370.369 1.590 20 5 FDBDLO COC(=O)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367815975 260095479 /nfs/dbraw/zinc/09/54/79/260095479.db2.gz RLKCOGPGEJCRDE-LBPRGKRZSA-N 1 2 351.359 1.187 20 5 FDBDLO COC(=O)C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000367815975 260095481 /nfs/dbraw/zinc/09/54/81/260095481.db2.gz RLKCOGPGEJCRDE-LBPRGKRZSA-N 1 2 351.359 1.187 20 5 FDBDLO NC(=O)C1([NH+]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000370880821 260624466 /nfs/dbraw/zinc/62/44/66/260624466.db2.gz JCKQUJNZGWZMGB-VOTSOKGWSA-N 1 2 372.425 1.550 20 5 FDBDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000373580150 261022017 /nfs/dbraw/zinc/02/20/17/261022017.db2.gz BDVLZZAPIJJMHY-MGPQQGTHSA-N 1 2 351.407 1.064 20 5 FDBDLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C[C@@H](C)O1 ZINC000373580150 261022018 /nfs/dbraw/zinc/02/20/18/261022018.db2.gz BDVLZZAPIJJMHY-MGPQQGTHSA-N 1 2 351.407 1.064 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374051189 261071197 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359.386 1.740 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047152001 522460438 /nfs/dbraw/zinc/46/04/38/522460438.db2.gz ALMVIYLHUWJHSF-CYBMUJFWSA-N 1 2 359.386 1.231 20 5 FDBDLO Cc1c(CO)cc([N+](=O)[O-])c(NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000073109104 522469240 /nfs/dbraw/zinc/46/92/40/522469240.db2.gz CUBYLPBFMYBDRL-UHFFFAOYSA-N 1 2 368.390 1.826 20 5 FDBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047926713 522625929 /nfs/dbraw/zinc/62/59/29/522625929.db2.gz ATDCQPDYQTYIMB-UHFFFAOYSA-N 1 2 374.397 1.923 20 5 FDBDLO CC(C)[N@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350685 522705649 /nfs/dbraw/zinc/70/56/49/522705649.db2.gz LRJWSDFANFJWQN-UHFFFAOYSA-N 1 2 364.446 1.836 20 5 FDBDLO CC(C)[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350685 522705658 /nfs/dbraw/zinc/70/56/58/522705658.db2.gz LRJWSDFANFJWQN-UHFFFAOYSA-N 1 2 364.446 1.836 20 5 FDBDLO 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C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112703787 524541544 /nfs/dbraw/zinc/54/15/44/524541544.db2.gz IWHJSUGLQOGJDT-UHFFFAOYSA-N 1 2 354.794 1.741 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000159290378 524633278 /nfs/dbraw/zinc/63/32/78/524633278.db2.gz UGOOFFRKGOXJAP-SNVBAGLBSA-N 1 2 354.413 1.609 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159340533 524648053 /nfs/dbraw/zinc/64/80/53/524648053.db2.gz UESLRHQYJDPQGF-AWEZNQCLSA-N 1 2 362.411 1.688 20 5 FDBDLO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000159425368 524668904 /nfs/dbraw/zinc/66/89/04/524668904.db2.gz ZRNHFMDZZZWLTB-UHFFFAOYSA-N 1 2 351.403 1.920 20 5 FDBDLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000174749947 524723473 /nfs/dbraw/zinc/72/34/73/524723473.db2.gz DUSVHKYXKUNLRK-JTQLQIEISA-N 1 2 363.399 1.343 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000174752504 524724230 /nfs/dbraw/zinc/72/42/30/524724230.db2.gz BCPMTZKERUSYAO-HNNXBMFYSA-N 1 2 371.397 1.590 20 5 FDBDLO Cn1cc(N2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cn1 ZINC000174909718 524792851 /nfs/dbraw/zinc/79/28/51/524792851.db2.gz GPBILMVPPOXHSL-UHFFFAOYSA-N 1 2 369.385 1.701 20 5 FDBDLO Cc1cccc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000123972917 524873511 /nfs/dbraw/zinc/87/35/11/524873511.db2.gz VLZZAZOXBDCDBQ-UHFFFAOYSA-N 1 2 351.403 1.509 20 5 FDBDLO CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152554021 524925376 /nfs/dbraw/zinc/92/53/76/524925376.db2.gz MJBCZNQNAHCCQH-YGRLFVJLSA-N 1 2 350.400 1.623 20 5 FDBDLO C[C@@H](O)C(=O)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000152953332 525055737 /nfs/dbraw/zinc/05/57/37/525055737.db2.gz SJRKKDITXCLRTQ-CYBMUJFWSA-N 1 2 374.397 1.317 20 5 FDBDLO Cc1cccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+]2CCOCC2)c1 ZINC000161969099 525195295 /nfs/dbraw/zinc/19/52/95/525195295.db2.gz NMGZWMOULQLKBC-HNNXBMFYSA-N 1 2 373.413 1.440 20 5 FDBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000125994395 525260686 /nfs/dbraw/zinc/26/06/86/525260686.db2.gz KQNKEVPGKYCCKS-BXKDBHETSA-N 1 2 363.823 1.246 20 5 FDBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000125994395 525260692 /nfs/dbraw/zinc/26/06/92/525260692.db2.gz KQNKEVPGKYCCKS-BXKDBHETSA-N 1 2 363.823 1.246 20 5 FDBDLO O=C(C[N@H+]1CC[C@](O)(C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177286936 525272580 /nfs/dbraw/zinc/27/25/80/525272580.db2.gz UOGJICWLUBYRIP-CQSZACIVSA-N 1 2 359.304 1.483 20 5 FDBDLO O=C(C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177286936 525272588 /nfs/dbraw/zinc/27/25/88/525272588.db2.gz UOGJICWLUBYRIP-CQSZACIVSA-N 1 2 359.304 1.483 20 5 FDBDLO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000153663570 525280787 /nfs/dbraw/zinc/28/07/87/525280787.db2.gz LEZAIBIABLDECO-UHFFFAOYSA-N 1 2 358.192 1.107 20 5 FDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000154163922 525445363 /nfs/dbraw/zinc/44/53/63/525445363.db2.gz VEVKKILKDMHSMB-CQSZACIVSA-N 1 2 369.381 1.714 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCN(c4cccnn4)CC3)o2)cc1 ZINC000170650533 525658962 /nfs/dbraw/zinc/65/89/62/525658962.db2.gz ABQJYFCTSVVTAT-UHFFFAOYSA-N 1 2 367.369 1.757 20 5 FDBDLO CCOc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170866513 525743648 /nfs/dbraw/zinc/74/36/48/525743648.db2.gz KFMTULKPSZJEPA-UHFFFAOYSA-N 1 2 351.403 1.834 20 5 FDBDLO CCOc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000170866513 525743653 /nfs/dbraw/zinc/74/36/53/525743653.db2.gz KFMTULKPSZJEPA-UHFFFAOYSA-N 1 2 351.403 1.834 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155109977 525747652 /nfs/dbraw/zinc/74/76/52/525747652.db2.gz LEQVDUNCERXVOH-ZDUSSCGKSA-N 1 2 356.382 1.736 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000155109977 525747654 /nfs/dbraw/zinc/74/76/54/525747654.db2.gz LEQVDUNCERXVOH-ZDUSSCGKSA-N 1 2 356.382 1.736 20 5 FDBDLO Cn1cc(C[N@H+](C)CCS(C)(=O)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155141288 525759070 /nfs/dbraw/zinc/75/90/70/525759070.db2.gz QAKOGOOOEQJVRA-UHFFFAOYSA-N 1 2 352.416 1.472 20 5 FDBDLO Cn1cc(C[N@@H+](C)CCS(C)(=O)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000155141288 525759077 /nfs/dbraw/zinc/75/90/77/525759077.db2.gz QAKOGOOOEQJVRA-UHFFFAOYSA-N 1 2 352.416 1.472 20 5 FDBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)n1 ZINC000180971303 525783610 /nfs/dbraw/zinc/78/36/10/525783610.db2.gz NDJDOWLSALNYRD-UHFFFAOYSA-N 1 2 355.402 1.485 20 5 FDBDLO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181167568 525815807 /nfs/dbraw/zinc/81/58/07/525815807.db2.gz LRLQXYTXBFRQHE-LBPRGKRZSA-N 1 2 369.381 1.521 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C(F)(F)F ZINC000181285220 525833833 /nfs/dbraw/zinc/83/38/33/525833833.db2.gz LZUUZDSGTUMYMA-PELKAZGASA-N 1 2 365.308 1.785 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181285220 525833840 /nfs/dbraw/zinc/83/38/40/525833840.db2.gz LZUUZDSGTUMYMA-PELKAZGASA-N 1 2 365.308 1.785 20 5 FDBDLO O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000171415122 525983853 /nfs/dbraw/zinc/98/38/53/525983853.db2.gz VMPABSICFFRTHX-UHFFFAOYSA-N 1 2 372.381 1.227 20 5 FDBDLO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)Cn1cc[nH+]c1 ZINC000182043106 526031602 /nfs/dbraw/zinc/03/16/02/526031602.db2.gz FTBWIJFDTUULSH-CQSZACIVSA-N 1 2 373.413 1.694 20 5 FDBDLO CNC(=O)c1ccc(N2CCN(Cc3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000108952309 526049425 /nfs/dbraw/zinc/04/94/25/526049425.db2.gz JPMAMSDPDZLNJD-UHFFFAOYSA-N 1 2 358.402 1.010 20 5 FDBDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183498887 535991638 /nfs/dbraw/zinc/99/16/38/535991638.db2.gz INIBGUYIEHPJKV-UHFFFAOYSA-N 1 2 364.427 1.718 20 5 FDBDLO COc1cc(C[NH+]2CCC(N3CCNC3=O)CC2)c([N+](=O)[O-])cc1F ZINC000184248074 536122764 /nfs/dbraw/zinc/12/27/64/536122764.db2.gz ZUEWVYSELIKQQL-UHFFFAOYSA-N 1 2 352.366 1.732 20 5 FDBDLO Cc1nc(N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000184941665 536192706 /nfs/dbraw/zinc/19/27/06/536192706.db2.gz TUZPAMIAGXRBMN-UHFFFAOYSA-N 1 2 357.370 1.421 20 5 FDBDLO COc1cccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000185145504 536200084 /nfs/dbraw/zinc/20/00/84/536200084.db2.gz BPXCTQKNHKUHIH-KRWDZBQOSA-N 1 2 370.409 1.952 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1CCO ZINC000187254893 536259051 /nfs/dbraw/zinc/25/90/51/536259051.db2.gz MUEQZFXASOJISP-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1CCO ZINC000187254893 536259052 /nfs/dbraw/zinc/25/90/52/536259052.db2.gz MUEQZFXASOJISP-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO CC(C)(CNC(=O)COc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCOCC1 ZINC000267044708 536952586 /nfs/dbraw/zinc/95/25/86/536952586.db2.gz NXRKNRBXUBHXTC-UHFFFAOYSA-N 1 2 371.821 1.854 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000246938803 537054499 /nfs/dbraw/zinc/05/44/99/537054499.db2.gz CCPSFMGSJGWYCE-ZDUSSCGKSA-N 1 2 357.432 1.244 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000246938803 537054502 /nfs/dbraw/zinc/05/45/02/537054502.db2.gz CCPSFMGSJGWYCE-ZDUSSCGKSA-N 1 2 357.432 1.244 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCNC(=O)[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000189846774 537104755 /nfs/dbraw/zinc/10/47/55/537104755.db2.gz PDHNAADQEXGJOA-OAHLLOKOSA-N 1 2 351.403 1.829 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCNC(=O)[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000189846774 537104760 /nfs/dbraw/zinc/10/47/60/537104760.db2.gz PDHNAADQEXGJOA-OAHLLOKOSA-N 1 2 351.403 1.829 20 5 FDBDLO Cn1cccc1[C@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248620389 537198119 /nfs/dbraw/zinc/19/81/19/537198119.db2.gz CDHWJSPFCPYFOY-CRAIPNDOSA-N 1 2 361.398 1.747 20 5 FDBDLO Cn1cccc1[C@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248620389 537198122 /nfs/dbraw/zinc/19/81/22/537198122.db2.gz CDHWJSPFCPYFOY-CRAIPNDOSA-N 1 2 361.398 1.747 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249648226 537239984 /nfs/dbraw/zinc/23/99/84/537239984.db2.gz SNQPNPILBMAVTK-UONOGXRCSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249648226 537239985 /nfs/dbraw/zinc/23/99/85/537239985.db2.gz SNQPNPILBMAVTK-UONOGXRCSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278148778 537266063 /nfs/dbraw/zinc/26/60/63/537266063.db2.gz SKKSKLVACFUDNS-QWHCGFSZSA-N 1 2 362.390 1.651 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278148778 537266072 /nfs/dbraw/zinc/26/60/72/537266072.db2.gz SKKSKLVACFUDNS-QWHCGFSZSA-N 1 2 362.390 1.651 20 5 FDBDLO Cn1cc([C@H](O)C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272513814 537293101 /nfs/dbraw/zinc/29/31/01/537293101.db2.gz JPZDWXJZLMUBQT-CVEARBPZSA-N 1 2 356.386 1.474 20 5 FDBDLO CN(C)c1ccc(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c[nH+]1 ZINC000272949517 537366253 /nfs/dbraw/zinc/36/62/53/537366253.db2.gz FZFBLXZKPFBUFI-MRXNPFEDSA-N 1 2 369.381 1.865 20 5 FDBDLO CN(C(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000284828526 537588190 /nfs/dbraw/zinc/58/81/90/537588190.db2.gz OSZRISGWFVFJHF-ZACQAIPSSA-N 1 2 363.414 1.419 20 5 FDBDLO CN(C(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000284828526 537588195 /nfs/dbraw/zinc/58/81/95/537588195.db2.gz OSZRISGWFVFJHF-ZACQAIPSSA-N 1 2 363.414 1.419 20 5 FDBDLO Cc1[nH+]c(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)c2n1CCCC2 ZINC000362482999 537597336 /nfs/dbraw/zinc/59/73/36/537597336.db2.gz CBPUWWMHYKCHDD-UHFFFAOYSA-N 1 2 356.429 1.976 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000289929554 537628786 /nfs/dbraw/zinc/62/87/86/537628786.db2.gz PAFFFLRCFLOCOW-ZDUSSCGKSA-N 1 2 359.386 1.994 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000289929554 537628789 /nfs/dbraw/zinc/62/87/89/537628789.db2.gz PAFFFLRCFLOCOW-ZDUSSCGKSA-N 1 2 359.386 1.994 20 5 FDBDLO COCC[N@@H+]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294454680 537698115 /nfs/dbraw/zinc/69/81/15/537698115.db2.gz HUADSZXYCLHGRX-UHFFFAOYSA-N 1 2 373.413 1.779 20 5 FDBDLO COCC[N@H+]1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294454680 537698116 /nfs/dbraw/zinc/69/81/16/537698116.db2.gz HUADSZXYCLHGRX-UHFFFAOYSA-N 1 2 373.413 1.779 20 5 FDBDLO O=C(C[N@@H+]1CCC(F)(F)[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292034742 537700909 /nfs/dbraw/zinc/70/09/09/537700909.db2.gz ZGAOIQSEFDXHPZ-LBPRGKRZSA-N 1 2 355.341 1.433 20 5 FDBDLO O=C(C[N@H+]1CCC(F)(F)[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292034742 537700911 /nfs/dbraw/zinc/70/09/11/537700911.db2.gz ZGAOIQSEFDXHPZ-LBPRGKRZSA-N 1 2 355.341 1.433 20 5 FDBDLO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000292109467 537709153 /nfs/dbraw/zinc/70/91/53/537709153.db2.gz GUJSLMJHACQASR-KBPBESRZSA-N 1 2 364.446 1.724 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1nncn1C)C(C)C ZINC000285492162 537721237 /nfs/dbraw/zinc/72/12/37/537721237.db2.gz WVWRZRCLYRPYCH-HNNXBMFYSA-N 1 2 362.390 1.657 20 5 FDBDLO Cn1cc([C@H]2[C@@H](CNC(=O)c3cc(O)ccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000375802668 537775277 /nfs/dbraw/zinc/77/52/77/537775277.db2.gz VPWHSSBOHUYIGJ-SJKOYZFVSA-N 1 2 373.413 1.847 20 5 FDBDLO Cn1cc([C@H]2[C@@H](CNC(=O)c3cc(O)ccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000375802668 537775279 /nfs/dbraw/zinc/77/52/79/537775279.db2.gz VPWHSSBOHUYIGJ-SJKOYZFVSA-N 1 2 373.413 1.847 20 5 FDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000416481664 537864112 /nfs/dbraw/zinc/86/41/12/537864112.db2.gz CZFIVAWYCACKSP-LLVKDONJSA-N 1 2 371.415 1.096 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000416481664 537864121 /nfs/dbraw/zinc/86/41/21/537864121.db2.gz CZFIVAWYCACKSP-LLVKDONJSA-N 1 2 371.415 1.096 20 5 FDBDLO Cc1c(CC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000438973754 538145737 /nfs/dbraw/zinc/14/57/37/538145737.db2.gz AKAOMNJSWYJVOF-UHFFFAOYSA-N 1 2 357.414 1.524 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@@]2(CCOC2)C1 ZINC000450669909 538155794 /nfs/dbraw/zinc/15/57/94/538155794.db2.gz CXMCZMJPCDAUBI-KRWDZBQOSA-N 1 2 358.354 1.412 20 5 FDBDLO CCc1ccc([C@H]([NH2+]CCS(=O)(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000439142338 538157192 /nfs/dbraw/zinc/15/71/92/538157192.db2.gz VQHVMIAXZJKYME-MRXNPFEDSA-N 1 2 367.427 1.978 20 5 FDBDLO NC(=O)c1cccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000439158012 538158395 /nfs/dbraw/zinc/15/83/95/538158395.db2.gz UZFUNLOKWQAGDF-UHFFFAOYSA-N 1 2 356.382 1.722 20 5 FDBDLO NC(=O)c1ccc(N(CC[NH+]2CCOCC2)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000450939261 538169425 /nfs/dbraw/zinc/16/94/25/538169425.db2.gz KSNFLJCVYXFJDU-UHFFFAOYSA-N 1 2 374.397 1.626 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CCO1 ZINC000451239803 538212396 /nfs/dbraw/zinc/21/23/96/538212396.db2.gz GRWVBFUCEDIWDS-LLVKDONJSA-N 1 2 355.366 1.583 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CCO1 ZINC000451239803 538212402 /nfs/dbraw/zinc/21/24/02/538212402.db2.gz GRWVBFUCEDIWDS-LLVKDONJSA-N 1 2 355.366 1.583 20 5 FDBDLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000441233026 538316558 /nfs/dbraw/zinc/31/65/58/538316558.db2.gz OOCVIRLFLIRRHT-MRXNPFEDSA-N 1 2 365.386 1.088 20 5 FDBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420596969 538327101 /nfs/dbraw/zinc/32/71/01/538327101.db2.gz HTQFIPMYGOQGNL-CYBMUJFWSA-N 1 2 355.398 1.972 20 5 FDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000446897629 538327139 /nfs/dbraw/zinc/32/71/39/538327139.db2.gz CDIPWPXTCABQSH-SNVBAGLBSA-N 1 2 355.358 1.482 20 5 FDBDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000452031493 538353565 /nfs/dbraw/zinc/35/35/65/538353565.db2.gz SLGVMLOJDCLGNO-LLVKDONJSA-N 1 2 351.359 1.763 20 5 FDBDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000452031493 538353567 /nfs/dbraw/zinc/35/35/67/538353567.db2.gz SLGVMLOJDCLGNO-LLVKDONJSA-N 1 2 351.359 1.763 20 5 FDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331421 538376181 /nfs/dbraw/zinc/37/61/81/538376181.db2.gz CZOPUPVQQJMCPQ-LLVKDONJSA-N 1 2 361.406 1.999 20 5 FDBDLO Cn1c(C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000442854152 538380877 /nfs/dbraw/zinc/38/08/77/538380877.db2.gz VYQBDGDGXKNMMB-KRWDZBQOSA-N 1 2 366.418 1.469 20 5 FDBDLO Cc1c[nH+]c(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000421376471 538398340 /nfs/dbraw/zinc/39/83/40/538398340.db2.gz HBZMUMOUVZHBEP-UHFFFAOYSA-N 1 2 367.431 1.047 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486626458 538538263 /nfs/dbraw/zinc/53/82/63/538538263.db2.gz RUGUGWFBUSFBPF-ZDUSSCGKSA-N 1 2 357.432 1.564 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000486626458 538538267 /nfs/dbraw/zinc/53/82/67/538538267.db2.gz RUGUGWFBUSFBPF-ZDUSSCGKSA-N 1 2 357.432 1.564 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)c[nH+]2)CCO1 ZINC000481715928 538546693 /nfs/dbraw/zinc/54/66/93/538546693.db2.gz ZREAMODVGHUMRN-LBPRGKRZSA-N 1 2 359.386 1.483 20 5 FDBDLO O=C(NC1(CO)CCSCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458058147 538551924 /nfs/dbraw/zinc/55/19/24/538551924.db2.gz NUERQNIXSRAGAJ-UHFFFAOYSA-N 1 2 362.411 1.768 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000560549263 545542544 /nfs/dbraw/zinc/54/25/44/545542544.db2.gz WVDSGNZDHLUWPY-HNNXBMFYSA-N 1 2 369.385 1.160 20 5 FDBDLO CC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000560591307 545551635 /nfs/dbraw/zinc/55/16/35/545551635.db2.gz KJPNMABJWQATKN-CYBMUJFWSA-N 1 2 357.370 1.379 20 5 FDBDLO C[C@H](c1cccc(NC(=O)c2c([N+](=O)[O-])cnn2C)c1)[NH+]1CCOCC1 ZINC000501132487 538628316 /nfs/dbraw/zinc/62/83/16/538628316.db2.gz DSTDSIUFWUAYDY-GFCCVEGCSA-N 1 2 359.386 1.974 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000560646926 545567399 /nfs/dbraw/zinc/56/73/99/545567399.db2.gz LLNQWCLOOIJNSM-NSHDSACASA-N 1 2 369.805 1.863 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000560646926 545567400 /nfs/dbraw/zinc/56/74/00/545567400.db2.gz LLNQWCLOOIJNSM-NSHDSACASA-N 1 2 369.805 1.863 20 5 FDBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000472607536 538668455 /nfs/dbraw/zinc/66/84/55/538668455.db2.gz DBGJLTKBTFEJRI-SNVBAGLBSA-N 1 2 361.333 1.802 20 5 FDBDLO C[C@H]1C[NH+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000469702059 538812747 /nfs/dbraw/zinc/81/27/47/538812747.db2.gz PEAXAUQXRCOJAQ-STQMWFEESA-N 1 2 351.403 1.920 20 5 FDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+](Cc2ccco2)CC1 ZINC000485033427 538822657 /nfs/dbraw/zinc/82/26/57/538822657.db2.gz LKRRTVYFVNDFEF-UHFFFAOYSA-N 1 2 359.338 1.875 20 5 FDBDLO O=C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)NCC[NH+]1CCCCCC1 ZINC000560768792 545599286 /nfs/dbraw/zinc/59/92/86/545599286.db2.gz ARSXKAKVENBFDR-UHFFFAOYSA-N 1 2 364.402 1.022 20 5 FDBDLO CC[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(=O)OC ZINC000561854061 545968358 /nfs/dbraw/zinc/96/83/58/545968358.db2.gz SXJUIGKSFNVGRU-INIZCTEOSA-N 1 2 353.375 1.863 20 5 FDBDLO C[NH+](C)CCOc1cnccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000562207202 546056877 /nfs/dbraw/zinc/05/68/77/546056877.db2.gz NKHBHBOWYHEOGD-UHFFFAOYSA-N 1 2 360.370 1.566 20 5 FDBDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000564412591 546907071 /nfs/dbraw/zinc/90/70/71/546907071.db2.gz HPLQMJAMYBUCMT-INIZCTEOSA-N 1 2 373.413 1.708 20 5 FDBDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000564412591 546907072 /nfs/dbraw/zinc/90/70/72/546907072.db2.gz HPLQMJAMYBUCMT-INIZCTEOSA-N 1 2 373.413 1.708 20 5 FDBDLO COc1cccc([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000565225158 547262184 /nfs/dbraw/zinc/26/21/84/547262184.db2.gz BVYZONWRFDJTGY-UHFFFAOYSA-N 1 2 351.403 1.897 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000565319998 547306528 /nfs/dbraw/zinc/30/65/28/547306528.db2.gz BLWPAXYYTHEWNZ-LBPRGKRZSA-N 1 2 365.386 1.218 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000565319998 547306534 /nfs/dbraw/zinc/30/65/34/547306534.db2.gz BLWPAXYYTHEWNZ-LBPRGKRZSA-N 1 2 365.386 1.218 20 5 FDBDLO C[C@@](O)(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C[NH+]1CCOCC1 ZINC000566149555 547627539 /nfs/dbraw/zinc/62/75/39/547627539.db2.gz POZURRGVTGALQF-QGZVFWFLSA-N 1 2 350.419 1.364 20 5 FDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000566224691 547668124 /nfs/dbraw/zinc/66/81/24/547668124.db2.gz ZLKBHIZASBSYAV-HNNXBMFYSA-N 1 2 368.390 1.465 20 5 FDBDLO CNc1ccc(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)cc1[N+](=O)[O-] ZINC000569582062 548970999 /nfs/dbraw/zinc/97/09/99/548970999.db2.gz WNMYFUGRXZOZIZ-ZDUSSCGKSA-N 1 2 373.413 1.421 20 5 FDBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000570555571 549322781 /nfs/dbraw/zinc/32/27/81/549322781.db2.gz CFLRKHSJOZXZFR-UHFFFAOYSA-N 1 2 354.326 1.509 20 5 FDBDLO C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000570810493 549421060 /nfs/dbraw/zinc/42/10/60/549421060.db2.gz QMRFQFSPKWONDJ-ZIAGYGMSSA-N 1 2 365.434 1.415 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000573926563 550233586 /nfs/dbraw/zinc/23/35/86/550233586.db2.gz BLXTWVAPGSNTFX-ZDUSSCGKSA-N 1 2 362.361 1.518 20 5 FDBDLO COC(=O)[C@H]([C@@H](C)O)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000574368093 550302337 /nfs/dbraw/zinc/30/23/37/550302337.db2.gz BKHAQAKCFKPSNL-CJNGLKHVSA-N 1 2 362.386 1.216 20 5 FDBDLO COC(=O)[C@H]([C@@H](C)O)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000574368093 550302340 /nfs/dbraw/zinc/30/23/40/550302340.db2.gz BKHAQAKCFKPSNL-CJNGLKHVSA-N 1 2 362.386 1.216 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])cnc3N)c[nH+]2)CCO1 ZINC000574478767 550321146 /nfs/dbraw/zinc/32/11/46/550321146.db2.gz VMCZEEGVTQXSGB-NSHDSACASA-N 1 2 372.385 1.122 20 5 FDBDLO Cc1c[nH]c(C(C)(C)NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000576047135 550505363 /nfs/dbraw/zinc/50/53/63/550505363.db2.gz KVAMNIZTLLLLHD-UHFFFAOYSA-N 1 2 374.401 1.477 20 5 FDBDLO CC1(C)NC(=O)N(CCC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000580604137 550999548 /nfs/dbraw/zinc/99/95/48/550999548.db2.gz LGSHHTCIGMPIOO-UHFFFAOYSA-N 1 2 362.386 1.510 20 5 FDBDLO CC1(C)NC(=O)N(CCC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000580604137 550999550 /nfs/dbraw/zinc/99/95/50/550999550.db2.gz LGSHHTCIGMPIOO-UHFFFAOYSA-N 1 2 362.386 1.510 20 5 FDBDLO Cn1c2cc(N[C@H]3CCN(c4cccc[nH+]4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588005817 551639681 /nfs/dbraw/zinc/63/96/81/551639681.db2.gz DGIUUUVWKAGWSQ-LBPRGKRZSA-N 1 2 368.397 1.871 20 5 FDBDLO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000588842785 551692173 /nfs/dbraw/zinc/69/21/73/551692173.db2.gz CZJRKJKBMRJWKC-CYBMUJFWSA-N 1 2 374.401 1.418 20 5 FDBDLO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000588842785 551692175 /nfs/dbraw/zinc/69/21/75/551692175.db2.gz CZJRKJKBMRJWKC-CYBMUJFWSA-N 1 2 374.401 1.418 20 5 FDBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501785 551733773 /nfs/dbraw/zinc/73/37/73/551733773.db2.gz DMAKXRSYHBCVSN-CYBMUJFWSA-N 1 2 368.411 1.862 20 5 FDBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501785 551733774 /nfs/dbraw/zinc/73/37/74/551733774.db2.gz DMAKXRSYHBCVSN-CYBMUJFWSA-N 1 2 368.411 1.862 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000589514338 551734154 /nfs/dbraw/zinc/73/41/54/551734154.db2.gz YBPBTBLOFRQFRB-PXAZEXFGSA-N 1 2 350.371 1.761 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000589514338 551734156 /nfs/dbraw/zinc/73/41/56/551734156.db2.gz YBPBTBLOFRQFRB-PXAZEXFGSA-N 1 2 350.371 1.761 20 5 FDBDLO CCOC(=O)[C@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000589592480 551736931 /nfs/dbraw/zinc/73/69/31/551736931.db2.gz HEIUFUFOYWTFSU-QGZVFWFLSA-N 1 2 367.402 1.153 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000590676873 551804432 /nfs/dbraw/zinc/80/44/32/551804432.db2.gz OAXSXSDCHLUKLW-SJORKVTESA-N 1 2 372.381 1.801 20 5 FDBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590763331 551814481 /nfs/dbraw/zinc/81/44/81/551814481.db2.gz HFCJEJNCRPUFLX-GFCCVEGCSA-N 1 2 357.432 1.708 20 5 FDBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590763331 551814482 /nfs/dbraw/zinc/81/44/82/551814482.db2.gz HFCJEJNCRPUFLX-GFCCVEGCSA-N 1 2 357.432 1.708 20 5 FDBDLO Cc1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000591011758 551835294 /nfs/dbraw/zinc/83/52/94/551835294.db2.gz KBXDAFGXWOCBFG-UHFFFAOYSA-N 1 2 368.393 1.974 20 5 FDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](O)C(F)(F)F ZINC000591786768 551908590 /nfs/dbraw/zinc/90/85/90/551908590.db2.gz YCOBBLODUGAESJ-PRHODGIISA-N 1 2 358.276 1.822 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000592016240 551926919 /nfs/dbraw/zinc/92/69/19/551926919.db2.gz FVAJBOAOPCCAAP-UHFFFAOYSA-N 1 2 353.444 1.874 20 5 FDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 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/nfs/dbraw/zinc/32/70/28/552327028.db2.gz XTFPEHMIXZKKGQ-OAHLLOKOSA-N 1 2 370.417 1.949 20 5 FDBDLO COc1c(C)[nH+]cnc1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000594581118 552337601 /nfs/dbraw/zinc/33/76/01/552337601.db2.gz AFRVOEKZCLPDEM-UHFFFAOYSA-N 1 2 357.370 1.664 20 5 FDBDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000595125327 552459139 /nfs/dbraw/zinc/45/91/39/552459139.db2.gz GUAYXXXWLBLOIO-CHWSQXEVSA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000595125327 552459141 /nfs/dbraw/zinc/45/91/41/552459141.db2.gz GUAYXXXWLBLOIO-CHWSQXEVSA-N 1 2 364.402 1.067 20 5 FDBDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595287424 552512152 /nfs/dbraw/zinc/51/21/52/552512152.db2.gz HXAKIOLVBTVWGC-UHFFFAOYSA-N 1 2 371.376 1.733 20 5 FDBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595320362 552523475 /nfs/dbraw/zinc/52/34/75/552523475.db2.gz WSOFYZLXLFEEOQ-UHFFFAOYSA-N 1 2 355.366 1.041 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc1 ZINC000595392196 552547016 /nfs/dbraw/zinc/54/70/16/552547016.db2.gz HCTHXEMHDYMSNQ-AWEZNQCLSA-N 1 2 362.411 1.543 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc1 ZINC000595392196 552547019 /nfs/dbraw/zinc/54/70/19/552547019.db2.gz HCTHXEMHDYMSNQ-AWEZNQCLSA-N 1 2 362.411 1.543 20 5 FDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595394426 552547467 /nfs/dbraw/zinc/54/74/67/552547467.db2.gz XHHWCLDZUZIXNP-AWEZNQCLSA-N 1 2 362.411 1.543 20 5 FDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595394426 552547469 /nfs/dbraw/zinc/54/74/69/552547469.db2.gz XHHWCLDZUZIXNP-AWEZNQCLSA-N 1 2 362.411 1.543 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595467197 552567480 /nfs/dbraw/zinc/56/74/80/552567480.db2.gz JBZMPFJEGXDIBD-HNNXBMFYSA-N 1 2 364.402 1.220 20 5 FDBDLO C[C@@H]1C[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1O ZINC000595751315 552611288 /nfs/dbraw/zinc/61/12/88/552611288.db2.gz UCKFENGNPSIBBO-NXEZZACHSA-N 1 2 351.359 1.211 20 5 FDBDLO Nc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)nc1[N+](=O)[O-] ZINC000596061021 552650991 /nfs/dbraw/zinc/65/09/91/552650991.db2.gz MPZITPPXXHXSSA-UHFFFAOYSA-N 1 2 362.434 1.097 20 5 FDBDLO NS(=O)(=O)c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000596112275 552656384 /nfs/dbraw/zinc/65/63/84/552656384.db2.gz LUEJFRUFSHQGIN-LBPRGKRZSA-N 1 2 351.388 1.280 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000596209739 552664809 /nfs/dbraw/zinc/66/48/09/552664809.db2.gz CMXSVEHZPIZCTL-CQSZACIVSA-N 1 2 361.402 1.887 20 5 FDBDLO COC(=O)c1c(Cl)c(N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596266587 552669543 /nfs/dbraw/zinc/66/95/43/552669543.db2.gz UJNNBDCUDVXFRW-SNVBAGLBSA-N 1 2 357.794 1.538 20 5 FDBDLO COC(=O)c1c(Cl)c(N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596266587 552669545 /nfs/dbraw/zinc/66/95/45/552669545.db2.gz UJNNBDCUDVXFRW-SNVBAGLBSA-N 1 2 357.794 1.538 20 5 FDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597708573 552824851 /nfs/dbraw/zinc/82/48/51/552824851.db2.gz BNNTXUIKAYERRW-ZDUSSCGKSA-N 1 2 359.386 1.408 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000597710289 552825116 /nfs/dbraw/zinc/82/51/16/552825116.db2.gz SQRXAHITPLMRJJ-LBPRGKRZSA-N 1 2 351.407 1.207 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000597710289 552825117 /nfs/dbraw/zinc/82/51/17/552825117.db2.gz SQRXAHITPLMRJJ-LBPRGKRZSA-N 1 2 351.407 1.207 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000597845349 552839831 /nfs/dbraw/zinc/83/98/31/552839831.db2.gz GCBUSZLUPLPTEV-HNNXBMFYSA-N 1 2 362.386 1.583 20 5 FDBDLO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000597847205 552839978 /nfs/dbraw/zinc/83/99/78/552839978.db2.gz OREDNVFWWKIHRU-AWEZNQCLSA-N 1 2 362.386 1.827 20 5 FDBDLO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000597991746 552853656 /nfs/dbraw/zinc/85/36/56/552853656.db2.gz QMZRFNXNTOOZBP-MRXNPFEDSA-N 1 2 371.393 1.797 20 5 FDBDLO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000597991746 552853657 /nfs/dbraw/zinc/85/36/57/552853657.db2.gz QMZRFNXNTOOZBP-MRXNPFEDSA-N 1 2 371.393 1.797 20 5 FDBDLO COC(=O)c1ccnc(N2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000598585890 552911583 /nfs/dbraw/zinc/91/15/83/552911583.db2.gz LOUADIWZBLWXBP-UHFFFAOYSA-N 1 2 357.370 1.494 20 5 FDBDLO C[C@@H]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000598606301 552914326 /nfs/dbraw/zinc/91/43/26/552914326.db2.gz ZKYMLYLOWIEDCW-ZIAGYGMSSA-N 1 2 373.417 1.505 20 5 FDBDLO Cc1ccc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598734400 552929032 /nfs/dbraw/zinc/92/90/32/552929032.db2.gz LMKWFKQPWWDSMP-UHFFFAOYSA-N 1 2 367.431 1.771 20 5 FDBDLO CCc1cc(NC[C@@H](O)[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599132759 552972019 /nfs/dbraw/zinc/97/20/19/552972019.db2.gz OAZJJLDVOAEQOM-CVEARBPZSA-N 1 2 358.398 1.988 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000599268151 553009128 /nfs/dbraw/zinc/00/91/28/553009128.db2.gz BYQBQSOYDRIUEI-GXTWGEPZSA-N 1 2 365.415 1.052 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000599268151 553009131 /nfs/dbraw/zinc/00/91/31/553009131.db2.gz BYQBQSOYDRIUEI-GXTWGEPZSA-N 1 2 365.415 1.052 20 5 FDBDLO COc1ccc(OCC[NH+]2CCN(Cc3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000599438985 553056588 /nfs/dbraw/zinc/05/65/88/553056588.db2.gz HBBOXFVXZLXVFU-UHFFFAOYSA-N 1 2 361.402 1.523 20 5 FDBDLO COc1ccc(OCCN2CC[NH+](Cc3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000599438985 553056589 /nfs/dbraw/zinc/05/65/89/553056589.db2.gz HBBOXFVXZLXVFU-UHFFFAOYSA-N 1 2 361.402 1.523 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000599569454 553090851 /nfs/dbraw/zinc/09/08/51/553090851.db2.gz MVUJWROLRASXHI-INIZCTEOSA-N 1 2 362.342 1.409 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000599569454 553090853 /nfs/dbraw/zinc/09/08/53/553090853.db2.gz MVUJWROLRASXHI-INIZCTEOSA-N 1 2 362.342 1.409 20 5 FDBDLO NC(=O)c1cn(C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)nn1 ZINC000599575631 553093151 /nfs/dbraw/zinc/09/31/51/553093151.db2.gz WHMBSNSTBCXMNF-UHFFFAOYSA-N 1 2 366.328 1.401 20 5 FDBDLO COC[C@@]1(C)C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000600216903 553231513 /nfs/dbraw/zinc/23/15/13/553231513.db2.gz DFFSZXIMUKQNPO-QGZVFWFLSA-N 1 2 368.386 1.384 20 5 FDBDLO COC[C@@]1(C)C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000600216903 553231514 /nfs/dbraw/zinc/23/15/14/553231514.db2.gz DFFSZXIMUKQNPO-QGZVFWFLSA-N 1 2 368.386 1.384 20 5 FDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000600233083 553234114 /nfs/dbraw/zinc/23/41/14/553234114.db2.gz WBNGWPRFSWYXRJ-HNNXBMFYSA-N 1 2 355.416 1.002 20 5 FDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000600233083 553234117 /nfs/dbraw/zinc/23/41/17/553234117.db2.gz WBNGWPRFSWYXRJ-HNNXBMFYSA-N 1 2 355.416 1.002 20 5 FDBDLO COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000600283745 553242070 /nfs/dbraw/zinc/24/20/70/553242070.db2.gz DQZAMPSGJJFQKA-QGZVFWFLSA-N 1 2 374.353 1.185 20 5 FDBDLO Cn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600421828 553264395 /nfs/dbraw/zinc/26/43/95/553264395.db2.gz OZSKCHNOPHLDHP-AWEZNQCLSA-N 1 2 359.386 1.056 20 5 FDBDLO Cn1cc(C(=O)NC[C@H]2COCC[N@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600421828 553264396 /nfs/dbraw/zinc/26/43/96/553264396.db2.gz OZSKCHNOPHLDHP-AWEZNQCLSA-N 1 2 359.386 1.056 20 5 FDBDLO Cc1nnc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)n1C ZINC000601184237 553357565 /nfs/dbraw/zinc/35/75/65/553357565.db2.gz JQBZWLPALUNJAD-UHFFFAOYSA-N 1 2 353.386 1.907 20 5 FDBDLO CCNC(=O)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602442170 553582233 /nfs/dbraw/zinc/58/22/33/553582233.db2.gz SUAPHUKFEMSVQK-UHFFFAOYSA-N 1 2 374.363 1.867 20 5 FDBDLO O=C1[C@@H]([N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000602987502 553686967 /nfs/dbraw/zinc/68/69/67/553686967.db2.gz JGODTULJONBQNQ-GDLCADMTSA-N 1 2 373.331 1.803 20 5 FDBDLO O=C1[C@@H]([N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000602987502 553686968 /nfs/dbraw/zinc/68/69/68/553686968.db2.gz JGODTULJONBQNQ-GDLCADMTSA-N 1 2 373.331 1.803 20 5 FDBDLO C[N@H+](CCO)Cc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603232735 553737530 /nfs/dbraw/zinc/73/75/30/553737530.db2.gz AHHLPEJZMKVJNV-UHFFFAOYSA-N 1 2 359.308 1.678 20 5 FDBDLO C[N@@H+](CCO)Cc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603232735 553737531 /nfs/dbraw/zinc/73/75/31/553737531.db2.gz AHHLPEJZMKVJNV-UHFFFAOYSA-N 1 2 359.308 1.678 20 5 FDBDLO COc1ccc(OCCn2cc[nH+]c2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000603421087 553783689 /nfs/dbraw/zinc/78/36/89/553783689.db2.gz SZASIHGOFYNMKZ-UHFFFAOYSA-N 1 2 362.386 1.711 20 5 FDBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000603590165 553803767 /nfs/dbraw/zinc/80/37/67/553803767.db2.gz FVEQNSONCWWGHU-UHFFFAOYSA-N 1 2 358.354 1.829 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])cn3C)c[nH+]2)CCO1 ZINC000603667824 553809159 /nfs/dbraw/zinc/80/91/59/553809159.db2.gz RZUOMIACTJLSPA-LBPRGKRZSA-N 1 2 359.386 1.483 20 5 FDBDLO COCC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603882455 553823474 /nfs/dbraw/zinc/82/34/74/553823474.db2.gz NZMJVCCGKJYDBE-GFCCVEGCSA-N 1 2 364.402 1.149 20 5 FDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000603930739 553831120 /nfs/dbraw/zinc/83/11/20/553831120.db2.gz MLZNEMHQBRFOOM-UHFFFAOYSA-N 1 2 371.397 1.798 20 5 FDBDLO Cc1ccn2cc(CNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000604123525 553844661 /nfs/dbraw/zinc/84/46/61/553844661.db2.gz UEBRMDMJFHHFDW-UHFFFAOYSA-N 1 2 361.383 1.810 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131745 554340568 /nfs/dbraw/zinc/34/05/68/554340568.db2.gz WUWAAVHACCLEPV-BBRMVZONSA-N 1 2 371.397 1.773 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000609211344 554349307 /nfs/dbraw/zinc/34/93/07/554349307.db2.gz JUXIYENNNFUQIX-ZDUSSCGKSA-N 1 2 351.407 1.027 20 5 FDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000609211344 554349308 /nfs/dbraw/zinc/34/93/08/554349308.db2.gz JUXIYENNNFUQIX-ZDUSSCGKSA-N 1 2 351.407 1.027 20 5 FDBDLO NC(=O)c1ccc(SCC(=O)N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609624846 554404567 /nfs/dbraw/zinc/40/45/67/554404567.db2.gz FVYWIFOBFAAKGD-UHFFFAOYSA-N 1 2 361.383 1.066 20 5 FDBDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccncc3[N+](=O)[O-])CC2)n1 ZINC000610542337 554526123 /nfs/dbraw/zinc/52/61/23/554526123.db2.gz WEAWJWMOKKUPEQ-LBPRGKRZSA-N 1 2 362.390 1.793 20 5 FDBDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccncc3[N+](=O)[O-])CC2)n1 ZINC000610542337 554526124 /nfs/dbraw/zinc/52/61/24/554526124.db2.gz WEAWJWMOKKUPEQ-LBPRGKRZSA-N 1 2 362.390 1.793 20 5 FDBDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611204859 554614997 /nfs/dbraw/zinc/61/49/97/554614997.db2.gz CKJMNCPOGFCACA-SNVBAGLBSA-N 1 2 356.810 1.985 20 5 FDBDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611204859 554614998 /nfs/dbraw/zinc/61/49/98/554614998.db2.gz CKJMNCPOGFCACA-SNVBAGLBSA-N 1 2 356.810 1.985 20 5 FDBDLO CN(C)c1c[nH+]ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000614050458 555002088 /nfs/dbraw/zinc/00/20/88/555002088.db2.gz APHZUCACTGKWFS-UHFFFAOYSA-N 1 2 352.354 1.916 20 5 FDBDLO O=[N+]([O-])c1cc2c(cc1CNc1ccc(-n3cncn3)c[nH+]1)OCCO2 ZINC000616204818 555280769 /nfs/dbraw/zinc/28/07/69/555280769.db2.gz FPJUHCNKLVGAPB-UHFFFAOYSA-N 1 2 354.326 1.954 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CO)(OC)CC2)c([N+](=O)[O-])c1 ZINC000618551353 555648890 /nfs/dbraw/zinc/64/88/90/555648890.db2.gz XLXBRXWEYLRFKF-GFCCVEGCSA-N 1 2 367.402 1.404 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@]1(O)CCSC1 ZINC000619154545 555731098 /nfs/dbraw/zinc/73/10/98/555731098.db2.gz YHIVDGGTJPQDKX-MRXNPFEDSA-N 1 2 353.444 1.707 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000366004637 567833142 /nfs/dbraw/zinc/83/31/42/567833142.db2.gz IUPAMTRXBRWTIB-IAGOWNOFSA-N 1 2 352.387 1.862 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000366004637 567833143 /nfs/dbraw/zinc/83/31/43/567833143.db2.gz IUPAMTRXBRWTIB-IAGOWNOFSA-N 1 2 352.387 1.862 20 5 FDBDLO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)[C@H]2C1 ZINC000272577306 674458003 /nfs/dbraw/zinc/45/80/03/674458003.db2.gz GHKDKMHOFBNQML-NHYWBVRUSA-N 1 2 367.427 1.165 20 5 FDBDLO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)[C@H]2C1 ZINC000272577306 674458005 /nfs/dbraw/zinc/45/80/05/674458005.db2.gz GHKDKMHOFBNQML-NHYWBVRUSA-N 1 2 367.427 1.165 20 5 FDBDLO C[N@@H+]1CCO[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821628752 599506649 /nfs/dbraw/zinc/50/66/49/599506649.db2.gz PGTGZFXJSOWKKC-NSHDSACASA-N 1 2 370.373 1.066 20 5 FDBDLO C[N@H+]1CCO[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821628752 599506652 /nfs/dbraw/zinc/50/66/52/599506652.db2.gz PGTGZFXJSOWKKC-NSHDSACASA-N 1 2 370.373 1.066 20 5 FDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000826497568 607811360 /nfs/dbraw/zinc/81/13/60/607811360.db2.gz LWEKNURXZJWMJY-GFCCVEGCSA-N 1 2 352.358 1.861 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000277803639 675044494 /nfs/dbraw/zinc/04/44/94/675044494.db2.gz PMTSJTIDBCHIHC-AWEZNQCLSA-N 1 2 372.443 1.881 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000277803639 675044498 /nfs/dbraw/zinc/04/44/98/675044498.db2.gz PMTSJTIDBCHIHC-AWEZNQCLSA-N 1 2 372.443 1.881 20 5 FDBDLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000267734023 673322301 /nfs/dbraw/zinc/32/23/01/673322301.db2.gz BSYMWRPMWVIMRA-GFCCVEGCSA-N 1 2 351.359 1.187 20 5 FDBDLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000267734023 673322302 /nfs/dbraw/zinc/32/23/02/673322302.db2.gz BSYMWRPMWVIMRA-GFCCVEGCSA-N 1 2 351.359 1.187 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289649867 676162678 /nfs/dbraw/zinc/16/26/78/676162678.db2.gz LOGRDUBUISUCJH-LLVKDONJSA-N 1 2 372.809 1.405 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000279275253 675268069 /nfs/dbraw/zinc/26/80/69/675268069.db2.gz JVMFLBSRYRDASL-CQSZACIVSA-N 1 2 350.419 1.576 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284708038 675744576 /nfs/dbraw/zinc/74/45/76/675744576.db2.gz ZKDWJCNROQOBFH-GJZGRUSLSA-N 1 2 353.806 1.722 20 5 FDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284708038 675744577 /nfs/dbraw/zinc/74/45/77/675744577.db2.gz ZKDWJCNROQOBFH-GJZGRUSLSA-N 1 2 353.806 1.722 20 5 FDBDLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000285568307 675834952 /nfs/dbraw/zinc/83/49/52/675834952.db2.gz VZYLHJULQAPIMQ-UHFFFAOYSA-N 1 2 372.403 1.264 20 5 FDBDLO COC(=O)Cc1ccc(NC[C@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000295627847 676408549 /nfs/dbraw/zinc/40/85/49/676408549.db2.gz WZMSDKRFVZNDNT-ZDUSSCGKSA-N 1 2 350.419 1.358 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366529328 677448618 /nfs/dbraw/zinc/44/86/18/677448618.db2.gz PRJAVXDJSSZSSJ-CYBMUJFWSA-N 1 2 350.375 1.588 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366529328 677448619 /nfs/dbraw/zinc/44/86/19/677448619.db2.gz PRJAVXDJSSZSSJ-CYBMUJFWSA-N 1 2 350.375 1.588 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000371636723 677748068 /nfs/dbraw/zinc/74/80/68/677748068.db2.gz DSRSJVMHLDFKSG-HIFRSBDPSA-N 1 2 369.443 1.123 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372110681 677844926 /nfs/dbraw/zinc/84/49/26/677844926.db2.gz HNVBHNUBPKXHJD-AWEZNQCLSA-N 1 2 353.806 1.724 20 5 FDBDLO O=c1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nc2sccn21 ZINC000372275938 677884474 /nfs/dbraw/zinc/88/44/74/677884474.db2.gz YVIRKWBRAKFXQA-LBPRGKRZSA-N 1 2 360.399 1.698 20 5 FDBDLO O=c1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nc2sccn21 ZINC000372275938 677884477 /nfs/dbraw/zinc/88/44/77/677884477.db2.gz YVIRKWBRAKFXQA-LBPRGKRZSA-N 1 2 360.399 1.698 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000412553863 679196344 /nfs/dbraw/zinc/19/63/44/679196344.db2.gz PDYJYCFRFQVEGH-UHFFFAOYSA-N 1 2 351.403 1.322 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416451789 679627339 /nfs/dbraw/zinc/62/73/39/679627339.db2.gz ONHFIMYTPSKBJG-WDEREUQCSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416451789 679627341 /nfs/dbraw/zinc/62/73/41/679627341.db2.gz ONHFIMYTPSKBJG-WDEREUQCSA-N 1 2 371.415 1.095 20 5 FDBDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000425210866 680885623 /nfs/dbraw/zinc/88/56/23/680885623.db2.gz XCOAELUYIPXURZ-UHFFFAOYSA-N 1 2 371.459 1.635 20 5 FDBDLO COc1ccc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000431914503 681139470 /nfs/dbraw/zinc/13/94/70/681139470.db2.gz SFZNIJAVGZCZNL-UHFFFAOYSA-N 1 2 366.399 1.890 20 5 FDBDLO C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434711804 681513770 /nfs/dbraw/zinc/51/37/70/681513770.db2.gz RTEFTLQURABTFT-LBPRGKRZSA-N 1 2 370.837 1.839 20 5 FDBDLO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434711804 681513773 /nfs/dbraw/zinc/51/37/73/681513773.db2.gz RTEFTLQURABTFT-LBPRGKRZSA-N 1 2 370.837 1.839 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])n1 ZINC000443957383 682366488 /nfs/dbraw/zinc/36/64/88/682366488.db2.gz IXBVSMGTRDOEQC-NSHDSACASA-N 1 2 368.419 1.113 20 5 FDBDLO COc1cc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc([N+](=O)[O-])c1OC ZINC000449655965 682695454 /nfs/dbraw/zinc/69/54/54/682695454.db2.gz IPDWRMOXVCCGMR-SNVBAGLBSA-N 1 2 359.329 1.587 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000478960962 685932525 /nfs/dbraw/zinc/93/25/25/685932525.db2.gz SCTJNHCIQSUSNR-UHFFFAOYSA-N 1 2 350.419 1.813 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000478960962 685932528 /nfs/dbraw/zinc/93/25/28/685932528.db2.gz SCTJNHCIQSUSNR-UHFFFAOYSA-N 1 2 350.419 1.813 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488840095 687062908 /nfs/dbraw/zinc/06/29/08/687062908.db2.gz NIYNCKNNWYTNAC-ZDUSSCGKSA-N 1 2 350.419 1.850 20 5 FDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488840095 687062911 /nfs/dbraw/zinc/06/29/11/687062911.db2.gz NIYNCKNNWYTNAC-ZDUSSCGKSA-N 1 2 350.419 1.850 20 5 FDBDLO CC(=O)[C@@H](NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC000489039319 687073780 /nfs/dbraw/zinc/07/37/80/687073780.db2.gz LHYGXSIOHCKLBD-INIZCTEOSA-N 1 2 351.407 1.158 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000492855722 687172641 /nfs/dbraw/zinc/17/26/41/687172641.db2.gz ZRTAKPZUZGWVNU-ZDUSSCGKSA-N 1 2 357.432 1.506 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000492855722 687172644 /nfs/dbraw/zinc/17/26/44/687172644.db2.gz ZRTAKPZUZGWVNU-ZDUSSCGKSA-N 1 2 357.432 1.506 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000511142540 689475651 /nfs/dbraw/zinc/47/56/51/689475651.db2.gz YVAKBUZYAAKXTM-CYBMUJFWSA-N 1 2 357.432 1.459 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000511142540 689475653 /nfs/dbraw/zinc/47/56/53/689475653.db2.gz YVAKBUZYAAKXTM-CYBMUJFWSA-N 1 2 357.432 1.459 20 5 FDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000511262481 689498629 /nfs/dbraw/zinc/49/86/29/689498629.db2.gz TXQBAOVSQIXYTJ-JTQLQIEISA-N 1 2 361.395 1.457 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000511262481 689498634 /nfs/dbraw/zinc/49/86/34/689498634.db2.gz TXQBAOVSQIXYTJ-JTQLQIEISA-N 1 2 361.395 1.457 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000523972541 694548370 /nfs/dbraw/zinc/54/83/70/694548370.db2.gz DPTOXHKNWZHFBT-GFCCVEGCSA-N 1 2 371.821 1.854 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000523972541 694548372 /nfs/dbraw/zinc/54/83/72/694548372.db2.gz DPTOXHKNWZHFBT-GFCCVEGCSA-N 1 2 371.821 1.854 20 5 FDBDLO C[C@H]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000532088991 694864044 /nfs/dbraw/zinc/86/40/44/694864044.db2.gz SUDSVEWSZIECSS-FZMZJTMJSA-N 1 2 365.415 1.526 20 5 FDBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478859032 782896689 /nfs/dbraw/zinc/89/66/89/782896689.db2.gz BRCCKFGBAGUTLD-CQSZACIVSA-N 1 2 367.377 1.297 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1F ZINC000411828658 785416465 /nfs/dbraw/zinc/41/64/65/785416465.db2.gz QLFOZLRANIZFOU-UHFFFAOYSA-N 1 2 369.393 1.512 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1F ZINC000411828658 785416469 /nfs/dbraw/zinc/41/64/69/785416469.db2.gz QLFOZLRANIZFOU-UHFFFAOYSA-N 1 2 369.393 1.512 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000472719183 791484219 /nfs/dbraw/zinc/48/42/19/791484219.db2.gz BKRXEWCRRIFXCD-JTQLQIEISA-N 1 2 361.333 1.422 20 5 FDBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000377464808 791894190 /nfs/dbraw/zinc/89/41/90/791894190.db2.gz OJBOPTNWJSOSAN-CQSZACIVSA-N 1 2 362.386 1.451 20 5 FDBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000377464808 791894193 /nfs/dbraw/zinc/89/41/93/791894193.db2.gz OJBOPTNWJSOSAN-CQSZACIVSA-N 1 2 362.386 1.451 20 5 FDBDLO COc1c(F)cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001025775933 792012623 /nfs/dbraw/zinc/01/26/23/792012623.db2.gz RRFYIJGFIGNTEQ-ZNLHFFCSSA-N 1 2 367.352 1.185 20 5 FDBDLO COc1c(F)cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001025775933 792012639 /nfs/dbraw/zinc/01/26/39/792012639.db2.gz RRFYIJGFIGNTEQ-ZNLHFFCSSA-N 1 2 367.352 1.185 20 5 FDBDLO COc1cc(Cl)ccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776087 792012844 /nfs/dbraw/zinc/01/28/44/792012844.db2.gz WXQZKNNIRIQEMS-SSZWKKLZSA-N 1 2 365.817 1.560 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776110 792013061 /nfs/dbraw/zinc/01/30/61/792013061.db2.gz YNSHBCVREXBSNY-VBTGVMJWSA-N 1 2 358.354 1.146 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776110 792013069 /nfs/dbraw/zinc/01/30/69/792013069.db2.gz YNSHBCVREXBSNY-VBTGVMJWSA-N 1 2 358.354 1.146 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2nsc3ccccc32)CC1 ZINC000981138427 807578118 /nfs/dbraw/zinc/57/81/18/807578118.db2.gz RMJWAXUUMPFNHB-UKRRQHHQSA-N 1 2 360.439 1.996 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2nsc3ccccc32)CC1 ZINC000981138427 807578126 /nfs/dbraw/zinc/57/81/26/807578126.db2.gz RMJWAXUUMPFNHB-UKRRQHHQSA-N 1 2 360.439 1.996 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280535793 811853470 /nfs/dbraw/zinc/85/34/70/811853470.db2.gz MULJUMJFQVJTQT-ACJLOTCBSA-N 1 2 372.381 1.801 20 5 FDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000413966043 814320348 /nfs/dbraw/zinc/32/03/48/814320348.db2.gz KANVMLYLOOTXKI-UHFFFAOYSA-N 1 2 374.401 1.016 20 5 FDBDLO C[NH+](C)CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccn1 ZINC000436895746 816786474 /nfs/dbraw/zinc/78/64/74/816786474.db2.gz YPNNQIOZYVVSEZ-UHFFFAOYSA-N 1 2 360.370 1.566 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000516875263 817073005 /nfs/dbraw/zinc/07/30/05/817073005.db2.gz JUBKFUIZTVIESS-GFCCVEGCSA-N 1 2 364.402 1.485 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c([N+](=O)[O-])c1 ZINC000516875263 817073013 /nfs/dbraw/zinc/07/30/13/817073013.db2.gz JUBKFUIZTVIESS-GFCCVEGCSA-N 1 2 364.402 1.485 20 5 FDBDLO COc1ccc(-c2ccc(C[NH+]3CCN(CC(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000506259301 817604041 /nfs/dbraw/zinc/60/40/41/817604041.db2.gz PGXGEBSQHBRUNI-UHFFFAOYSA-N 1 2 374.397 1.466 20 5 FDBDLO 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COC(=O)COc1ccc(C[NH2+]Cc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000474355414 822731333 /nfs/dbraw/zinc/73/13/33/822731333.db2.gz XAMCUMCALWSMFC-UHFFFAOYSA-N 1 2 371.353 1.479 20 5 FDBDLO Cc1nc(C)n(C[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000525189351 828520863 /nfs/dbraw/zinc/52/08/63/828520863.db2.gz GIXIBIIHNAKGEN-QGZVFWFLSA-N 1 2 361.402 1.583 20 5 FDBDLO Cc1nc(C)n(C[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000525189351 828520864 /nfs/dbraw/zinc/52/08/64/828520864.db2.gz GIXIBIIHNAKGEN-QGZVFWFLSA-N 1 2 361.402 1.583 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000444336832 827148506 /nfs/dbraw/zinc/14/85/06/827148506.db2.gz BKFDBHXVVWUBJP-GFCCVEGCSA-N 1 2 365.386 1.313 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000444336832 827148515 /nfs/dbraw/zinc/14/85/15/827148515.db2.gz BKFDBHXVVWUBJP-GFCCVEGCSA-N 1 2 365.386 1.313 20 5 FDBDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2C1 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/nfs/dbraw/zinc/31/06/64/830310664.db2.gz LBNWXRYJDQTCFM-VQIMIIECSA-N 1 2 373.384 1.994 20 5 FDBDLO NC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c([N+](=O)[O-])c1 ZINC000451262782 830310673 /nfs/dbraw/zinc/31/06/73/830310673.db2.gz LBNWXRYJDQTCFM-VQIMIIECSA-N 1 2 373.384 1.994 20 5 FDBDLO COCC[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000451443789 830368166 /nfs/dbraw/zinc/36/81/66/830368166.db2.gz FFUCQZFCGGXFCE-KRWDZBQOSA-N 1 2 360.370 1.706 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOC[C@]12CCOC2 ZINC000451655982 830420368 /nfs/dbraw/zinc/42/03/68/830420368.db2.gz GZPLPNWPRALBAC-QGZVFWFLSA-N 1 2 358.354 1.412 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000531103211 830567526 /nfs/dbraw/zinc/56/75/26/830567526.db2.gz DFUVCFGWOJCSMD-UHFFFAOYSA-N 1 2 373.413 1.417 20 5 FDBDLO Cn1c2ccc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2oc1=O ZINC000453577510 830955937 /nfs/dbraw/zinc/95/59/37/830955937.db2.gz OTNZANGBJSQGIH-UHFFFAOYSA-N 1 2 369.381 1.757 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000483295842 849446562 /nfs/dbraw/zinc/44/65/62/849446562.db2.gz PWVLDYWIHMAOIU-IUODEOHRSA-N 1 2 367.402 1.404 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000483295842 849446568 /nfs/dbraw/zinc/44/65/68/849446568.db2.gz PWVLDYWIHMAOIU-IUODEOHRSA-N 1 2 367.402 1.404 20 5 FDBDLO COc1cccc(C[NH+]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000138692085 849571582 /nfs/dbraw/zinc/57/15/82/849571582.db2.gz GMBSNRJDUJWRFL-UHFFFAOYSA-N 1 2 359.386 1.144 20 5 FDBDLO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000913463091 862148303 /nfs/dbraw/zinc/14/83/03/862148303.db2.gz RCOXOGLYLAZLMG-JZUUQJBKSA-N 1 2 355.398 1.905 20 5 FDBDLO Cn1cc([C@@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)CC[NH2+]2)cn1 ZINC000913474411 862194531 /nfs/dbraw/zinc/19/45/31/862194531.db2.gz LSZAQJKQSFOCMO-KRWDZBQOSA-N 1 2 369.425 1.923 20 5 FDBDLO 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ZINC000600233084 553234173 /nfs/dbraw/zinc/23/41/73/553234173.db2.gz WBNGWPRFSWYXRJ-OAHLLOKOSA-N 1 2 355.416 1.002 20 5 FDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000600233084 553234174 /nfs/dbraw/zinc/23/41/74/553234174.db2.gz WBNGWPRFSWYXRJ-OAHLLOKOSA-N 1 2 355.416 1.002 20 5 FDBDLO Cc1cc(NCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600366418 553257340 /nfs/dbraw/zinc/25/73/40/553257340.db2.gz OGIJKODLISHZSI-UHFFFAOYSA-N 1 2 360.374 1.759 20 5 FDBDLO COC(=O)[C@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000600532688 553281439 /nfs/dbraw/zinc/28/14/39/553281439.db2.gz CZXIBBMRNGKWKZ-KZULUSFZSA-N 1 2 372.381 1.558 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000600677953 553298783 /nfs/dbraw/zinc/29/87/83/553298783.db2.gz FAUGROSSRDZFGD-UHFFFAOYSA-N 1 2 368.397 1.768 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000600972476 553333605 /nfs/dbraw/zinc/33/36/05/553333605.db2.gz AKKGYJNXQMHTAM-UHFFFAOYSA-N 1 2 361.402 1.854 20 5 FDBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601044603 553343487 /nfs/dbraw/zinc/34/34/87/553343487.db2.gz JJJSVIIVGQUBKV-OAHLLOKOSA-N 1 2 360.458 1.769 20 5 FDBDLO Cc1ccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000601895480 553489484 /nfs/dbraw/zinc/48/94/84/553489484.db2.gz XTXSURBEDVCISK-UHFFFAOYSA-N 1 2 355.398 1.694 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3F)CC2)cc1 ZINC000603267388 553747913 /nfs/dbraw/zinc/74/79/13/553747913.db2.gz KNLCJEVJMUSSGF-UHFFFAOYSA-N 1 2 366.374 1.640 20 5 FDBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cccnc3[N+](=O)[O-])CC2)C1 ZINC000603844603 553820262 /nfs/dbraw/zinc/82/02/62/553820262.db2.gz SJHQGBMDLXBFGX-HUUCEWRRSA-N 1 2 361.446 1.616 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000609134703 554341059 /nfs/dbraw/zinc/34/10/59/554341059.db2.gz ILNNTECYTFNSKQ-LBPRGKRZSA-N 1 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O=C(CSc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610913703 554580442 /nfs/dbraw/zinc/58/04/42/554580442.db2.gz UPKFIKIVMCJQAV-CYBMUJFWSA-N 1 2 351.428 1.620 20 5 FDBDLO CC(C)(CO)[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000611227553 554617363 /nfs/dbraw/zinc/61/73/63/554617363.db2.gz NLACXYJUTQSWPD-UHFFFAOYSA-N 1 2 359.224 1.645 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000611617341 554655939 /nfs/dbraw/zinc/65/59/39/554655939.db2.gz YTBZNYJSTXPHSR-OAHLLOKOSA-N 1 2 361.446 1.740 20 5 FDBDLO NC(=O)C[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615994513 555261826 /nfs/dbraw/zinc/26/18/26/555261826.db2.gz MBZCXJRJAYRHQP-CQSZACIVSA-N 1 2 362.430 1.519 20 5 FDBDLO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272811365 674476669 /nfs/dbraw/zinc/47/66/69/674476669.db2.gz HBZUEBDUXZZBSR-QWRGUYRKSA-N 1 2 359.473 1.980 20 5 FDBDLO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272811365 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NEJNDPIJNHZMSB-CQSZACIVSA-N 1 2 369.443 1.246 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000279390108 675288003 /nfs/dbraw/zinc/28/80/03/675288003.db2.gz VGGJIYDNWGNZEP-AWEZNQCLSA-N 1 2 351.403 1.543 20 5 FDBDLO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000285344453 675820842 /nfs/dbraw/zinc/82/08/42/675820842.db2.gz UYGJFVLOEORREZ-LLVKDONJSA-N 1 2 354.388 1.520 20 5 FDBDLO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000290778767 676231917 /nfs/dbraw/zinc/23/19/17/676231917.db2.gz SWPOIZXOGZPRJH-LLVKDONJSA-N 1 2 354.388 1.520 20 5 FDBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000295624765 676408110 /nfs/dbraw/zinc/40/81/10/676408110.db2.gz BATMOLHOZMJXRB-GFCCVEGCSA-N 1 2 357.432 1.257 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000363980086 676982558 /nfs/dbraw/zinc/98/25/58/676982558.db2.gz YYOMACVZWHQWCB-GFCCVEGCSA-N 1 2 350.400 1.648 20 5 FDBDLO CCOc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365191975 677354724 /nfs/dbraw/zinc/35/47/24/677354724.db2.gz UVAUDRVZELIBEV-CQSZACIVSA-N 1 2 369.443 1.650 20 5 FDBDLO CCOc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365191975 677354726 /nfs/dbraw/zinc/35/47/26/677354726.db2.gz UVAUDRVZELIBEV-CQSZACIVSA-N 1 2 369.443 1.650 20 5 FDBDLO C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366081576 677408601 /nfs/dbraw/zinc/40/86/01/677408601.db2.gz FAAVWLWPCYKJLC-UKRRQHHQSA-N 1 2 352.410 1.575 20 5 FDBDLO C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000366081576 677408602 /nfs/dbraw/zinc/40/86/02/677408602.db2.gz FAAVWLWPCYKJLC-UKRRQHHQSA-N 1 2 352.410 1.575 20 5 FDBDLO COc1ccc(NC(=O)CC[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411291470 679009412 /nfs/dbraw/zinc/00/94/12/679009412.db2.gz KTVORAHRGVXXSP-PAUBXPFVSA-N 1 2 369.443 1.773 20 5 FDBDLO COc1ccc(NC(=O)CC[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411291470 679009413 /nfs/dbraw/zinc/00/94/13/679009413.db2.gz KTVORAHRGVXXSP-PAUBXPFVSA-N 1 2 369.443 1.773 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000412433117 679183235 /nfs/dbraw/zinc/18/32/35/679183235.db2.gz AXFXJETWHUQLPG-UHFFFAOYSA-N 1 2 351.403 1.322 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000414039406 679327611 /nfs/dbraw/zinc/32/76/11/679327611.db2.gz JODJAXWJDYWYPW-UHFFFAOYSA-N 1 2 353.423 1.624 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1C ZINC000420449067 680456868 /nfs/dbraw/zinc/45/68/68/680456868.db2.gz SEXGVWRTJNMAEB-LLVKDONJSA-N 1 2 363.386 1.735 20 5 FDBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1OC ZINC000444701326 682420410 /nfs/dbraw/zinc/42/04/10/682420410.db2.gz PMJUEILKBLHKQA-DFBGVHRSSA-N 1 2 354.403 1.566 20 5 FDBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1OC ZINC000444701326 682420415 /nfs/dbraw/zinc/42/04/15/682420415.db2.gz PMJUEILKBLHKQA-DFBGVHRSSA-N 1 2 354.403 1.566 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCC[C@H](C)O)CC1 ZINC000475055897 685556204 /nfs/dbraw/zinc/55/62/04/685556204.db2.gz ATXYKHCGLOUNAS-AWEZNQCLSA-N 1 2 371.459 1.371 20 5 FDBDLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000450222376 682745516 /nfs/dbraw/zinc/74/55/16/682745516.db2.gz BZTSMRDVLHKSTQ-CQSZACIVSA-N 1 2 357.432 1.062 20 5 FDBDLO Cc1c(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000478602171 685913629 /nfs/dbraw/zinc/91/36/29/685913629.db2.gz OKXFWNIFEONUBX-ZIAGYGMSSA-N 1 2 350.419 1.812 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478904323 685929616 /nfs/dbraw/zinc/92/96/16/685929616.db2.gz RDAGWVSUQBNKIC-LBPRGKRZSA-N 1 2 355.416 1.220 20 5 FDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 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Cc1c(CNC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)cccc1[N+](=O)[O-] ZINC000551045240 543223324 /nfs/dbraw/zinc/22/33/24/543223324.db2.gz DMKCWVYDRHUVAT-UHFFFAOYSA-N 1 2 371.397 1.297 20 5 FDBDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000551489450 543292125 /nfs/dbraw/zinc/29/21/25/543292125.db2.gz FWOULBFHHVKENF-UHFFFAOYSA-N 1 2 358.354 1.870 20 5 FDBDLO O=C(C[NH+]1CCC(N2CCCC2=O)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000104728626 172383105 /nfs/dbraw/zinc/38/31/05/172383105.db2.gz ARKVXOYFLHIYGZ-UHFFFAOYSA-N 1 2 372.425 1.571 20 5 FDBDLO O=C(C[NH+]1CCC(N2CCCC2=O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000104728011 172383118 /nfs/dbraw/zinc/38/31/18/172383118.db2.gz SKRDRXRLWBYCKS-UHFFFAOYSA-N 1 2 372.425 1.571 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129128184 173128823 /nfs/dbraw/zinc/12/88/23/173128823.db2.gz JBFQYHROWCVQRF-LSDHHAIUSA-N 1 2 362.430 1.576 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129128184 173128825 /nfs/dbraw/zinc/12/88/25/173128825.db2.gz JBFQYHROWCVQRF-LSDHHAIUSA-N 1 2 362.430 1.576 20 5 FDBDLO C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H](C)[NH+]1CCOCC1 ZINC000130445158 173170480 /nfs/dbraw/zinc/17/04/80/173170480.db2.gz BQQOGMVAAROWQD-STQMWFEESA-N 1 2 360.414 1.844 20 5 FDBDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135514196 173346980 /nfs/dbraw/zinc/34/69/80/173346980.db2.gz AUPLTXCTKGTHPL-HOCLYGCPSA-N 1 2 363.439 1.690 20 5 FDBDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000135514196 173346982 /nfs/dbraw/zinc/34/69/82/173346982.db2.gz AUPLTXCTKGTHPL-HOCLYGCPSA-N 1 2 363.439 1.690 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000175463339 174008212 /nfs/dbraw/zinc/00/82/12/174008212.db2.gz LBHVMQBPUJNBOQ-UHFFFAOYSA-N 1 2 369.443 1.389 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3N)c[nH+]2)CCO1 ZINC000175999933 174043838 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259006429 /nfs/dbraw/zinc/00/64/29/259006429.db2.gz MKLCWYVOMPSOIV-UHFFFAOYSA-N 1 2 350.375 1.358 20 5 FDBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000299557057 259006430 /nfs/dbraw/zinc/00/64/30/259006430.db2.gz MKLCWYVOMPSOIV-UHFFFAOYSA-N 1 2 350.375 1.358 20 5 FDBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299592364 259009509 /nfs/dbraw/zinc/00/95/09/259009509.db2.gz ZWVGNSLTGHKGRN-GMXVVIOVSA-N 1 2 351.407 1.340 20 5 FDBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299592364 259009510 /nfs/dbraw/zinc/00/95/10/259009510.db2.gz ZWVGNSLTGHKGRN-GMXVVIOVSA-N 1 2 351.407 1.340 20 5 FDBDLO COC1CC[NH+](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301932332 259036157 /nfs/dbraw/zinc/03/61/57/259036157.db2.gz MOPBEHPFUNYBEX-UHFFFAOYSA-N 1 2 363.461 1.583 20 5 FDBDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331272972 259184551 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355.301 1.746 20 5 FDBDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369002207 260275572 /nfs/dbraw/zinc/27/55/72/260275572.db2.gz POYGUDZJYWEXTR-WDEREUQCSA-N 1 2 350.404 1.912 20 5 FDBDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369002207 260275574 /nfs/dbraw/zinc/27/55/74/260275574.db2.gz POYGUDZJYWEXTR-WDEREUQCSA-N 1 2 350.404 1.912 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370884989 260625909 /nfs/dbraw/zinc/62/59/09/260625909.db2.gz DXDGCWBCPMFXEJ-UHFFFAOYSA-N 1 2 360.414 1.459 20 5 FDBDLO Cc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)cc([N+](=O)[O-])c1 ZINC000371212303 260673364 /nfs/dbraw/zinc/67/33/64/260673364.db2.gz IWUVJWIOIPRZPU-SFHVURJKSA-N 1 2 363.414 1.514 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000373020362 260967212 /nfs/dbraw/zinc/96/72/12/260967212.db2.gz BQRHNHUJJASZKX-UHFFFAOYSA-N 1 2 362.386 1.542 20 5 FDBDLO 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O=[N+]([O-])c1ccc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)nc1 ZINC000596513963 552684929 /nfs/dbraw/zinc/68/49/29/552684929.db2.gz AVQBVXUPQBAIJH-SFHVURJKSA-N 1 2 358.398 1.665 20 5 FDBDLO O=[N+]([O-])c1ccc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)nc1 ZINC000596513963 552684931 /nfs/dbraw/zinc/68/49/31/552684931.db2.gz AVQBVXUPQBAIJH-SFHVURJKSA-N 1 2 358.398 1.665 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596625949 552694791 /nfs/dbraw/zinc/69/47/91/552694791.db2.gz HJWNUHOUYLWHEF-NEPJUHHUSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596625949 552694792 /nfs/dbraw/zinc/69/47/92/552694792.db2.gz HJWNUHOUYLWHEF-NEPJUHHUSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1cc(CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])cc1OC ZINC000596690908 552701995 /nfs/dbraw/zinc/70/19/95/552701995.db2.gz ZALJHAHPRKBIJT-GFCCVEGCSA-N 1 2 374.397 1.799 20 5 FDBDLO COc1cc(CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])cc1OC 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369.443 1.283 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000600680146 553298659 /nfs/dbraw/zinc/29/86/59/553298659.db2.gz DPZHJXOZJQDUKD-QGZVFWFLSA-N 1 2 356.382 1.621 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000600680146 553298662 /nfs/dbraw/zinc/29/86/62/553298662.db2.gz DPZHJXOZJQDUKD-QGZVFWFLSA-N 1 2 356.382 1.621 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600682102 553299471 /nfs/dbraw/zinc/29/94/71/553299471.db2.gz LYBUWEBWZMEHNZ-KRWDZBQOSA-N 1 2 374.372 1.760 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600682102 553299473 /nfs/dbraw/zinc/29/94/73/553299473.db2.gz LYBUWEBWZMEHNZ-KRWDZBQOSA-N 1 2 374.372 1.760 20 5 FDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600686557 553300813 /nfs/dbraw/zinc/30/08/13/553300813.db2.gz YLXNQXZXSHAVBQ-AWEZNQCLSA-N 1 2 371.397 1.203 20 5 FDBDLO 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JIZHVGQDOMUSSN-UHFFFAOYSA-N 1 2 368.393 1.619 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421043620 813928998 /nfs/dbraw/zinc/92/89/98/813928998.db2.gz RHECQMWMVWVYAV-MRXNPFEDSA-N 1 2 362.430 1.527 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421043620 813929000 /nfs/dbraw/zinc/92/90/00/813929000.db2.gz RHECQMWMVWVYAV-MRXNPFEDSA-N 1 2 362.430 1.527 20 5 FDBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083625 814315384 /nfs/dbraw/zinc/31/53/84/814315384.db2.gz HPEBGLPFCZXYEV-OAHLLOKOSA-N 1 2 356.382 1.932 20 5 FDBDLO COc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1OC ZINC000413962652 814319669 /nfs/dbraw/zinc/31/96/69/814319669.db2.gz VSMSKVJGRQRIEH-UHFFFAOYSA-N 1 2 367.402 1.453 20 5 FDBDLO Cc1cc(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421914128 814336682 /nfs/dbraw/zinc/33/66/82/814336682.db2.gz GFNQNDHUOQFZTN-UHFFFAOYSA-N 1 2 371.397 1.722 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000515398088 816239931 /nfs/dbraw/zinc/23/99/31/816239931.db2.gz JYAMGGQKLISXIO-AWEZNQCLSA-N 1 2 358.398 1.308 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000516862714 817067342 /nfs/dbraw/zinc/06/73/42/817067342.db2.gz KDWWKKMVBIAZSR-LLVKDONJSA-N 1 2 372.303 1.933 20 5 FDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426186262 817739502 /nfs/dbraw/zinc/73/95/02/817739502.db2.gz HWSRBIQYHYWOKJ-LBPRGKRZSA-N 1 2 369.368 1.739 20 5 FDBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cn2cnc([N+](=O)[O-])n2)c(C)c1 ZINC000441476944 819855773 /nfs/dbraw/zinc/85/57/73/819855773.db2.gz QINLSJQBTKAGSC-HNNXBMFYSA-N 1 2 369.385 1.557 20 5 FDBDLO Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000474002327 820288357 /nfs/dbraw/zinc/28/83/57/820288357.db2.gz UZLAVACVXILESI-OAHLLOKOSA-N 1 2 363.414 1.467 20 5 FDBDLO O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000521441579 821250046 /nfs/dbraw/zinc/25/00/46/821250046.db2.gz XOYIKIRZBPMMDJ-STQMWFEESA-N 1 2 356.386 1.462 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447655925 828815605 /nfs/dbraw/zinc/81/56/05/828815605.db2.gz HCQKIIBCWWOSHY-AWEZNQCLSA-N 1 2 373.413 1.573 20 5 FDBDLO C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897053594 826833936 /nfs/dbraw/zinc/83/39/36/826833936.db2.gz CKZVGIWFTPBHFZ-CABCVRRESA-N 1 2 362.430 1.814 20 5 FDBDLO CCCc1noc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985431142 827811716 /nfs/dbraw/zinc/81/17/16/827811716.db2.gz MLCYCLNNPGAOHI-CHWSQXEVSA-N 1 2 351.407 1.110 20 5 FDBDLO CCCc1noc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985431142 827811727 /nfs/dbraw/zinc/81/17/27/827811727.db2.gz MLCYCLNNPGAOHI-CHWSQXEVSA-N 1 2 351.407 1.110 20 5 FDBDLO Cc1c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000428357489 827856313 /nfs/dbraw/zinc/85/63/13/827856313.db2.gz DWNWSXCWXPOMTA-LBPRGKRZSA-N 1 2 367.369 1.425 20 5 FDBDLO COC(=O)[C@@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450111820 829808137 /nfs/dbraw/zinc/80/81/37/829808137.db2.gz IRHRWKPPGXXXOQ-KRWDZBQOSA-N 1 2 358.354 1.806 20 5 FDBDLO C[C@@H](O)C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450919943 830194351 /nfs/dbraw/zinc/19/43/51/830194351.db2.gz RATZMIUJJFSJGL-TZMCWYRMSA-N 1 2 360.370 1.392 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@]2(CCOC2)O1 ZINC000451367918 830356024 /nfs/dbraw/zinc/35/60/24/830356024.db2.gz JKYBAPLQHUHXIS-ACJLOTCBSA-N 1 2 372.381 1.801 20 5 FDBDLO O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451540979 830390004 /nfs/dbraw/zinc/39/00/04/830390004.db2.gz HCCOKUIIIYLOCG-DYVFJYSZSA-N 1 2 369.381 1.568 20 5 FDBDLO Cn1cc(Cl)c(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964388 831929795 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ZINC000331677014 259211782 /nfs/dbraw/zinc/21/17/82/259211782.db2.gz OYLXCMDNMLLRPT-CJNGLKHVSA-N 1 2 360.414 1.691 20 5 FDBDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331677014 259211783 /nfs/dbraw/zinc/21/17/83/259211783.db2.gz OYLXCMDNMLLRPT-CJNGLKHVSA-N 1 2 360.414 1.691 20 5 FDBDLO C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@@]1=O ZINC000332067728 259238844 /nfs/dbraw/zinc/23/88/44/259238844.db2.gz SRLYTOJZIAGRTQ-BUBHHJDNSA-N 1 2 353.400 1.346 20 5 FDBDLO C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@@]1=O ZINC000332067728 259238845 /nfs/dbraw/zinc/23/88/45/259238845.db2.gz SRLYTOJZIAGRTQ-BUBHHJDNSA-N 1 2 353.400 1.346 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332321815 259257636 /nfs/dbraw/zinc/25/76/36/259257636.db2.gz OSVROBCWDULWIK-HNNXBMFYSA-N 1 2 373.331 1.873 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332321815 259257637 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C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000600231201 553233334 /nfs/dbraw/zinc/23/33/34/553233334.db2.gz GTKPIHJBNBDFSZ-KRWDZBQOSA-N 1 2 367.377 1.080 20 5 FDBDLO Cn1cc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])n1 ZINC000602431275 553580176 /nfs/dbraw/zinc/58/01/76/553580176.db2.gz DEDBBVNLLWAHMZ-UHFFFAOYSA-N 1 2 373.413 1.417 20 5 FDBDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602710884 553626070 /nfs/dbraw/zinc/62/60/70/553626070.db2.gz ZDHPWQKQWVFOQK-PWSUYJOCSA-N 1 2 368.333 1.515 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000602831496 553646606 /nfs/dbraw/zinc/64/66/06/553646606.db2.gz ILGDPVOWGODTSL-ZDUSSCGKSA-N 1 2 356.386 1.132 20 5 FDBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602846333 553649771 /nfs/dbraw/zinc/64/97/71/553649771.db2.gz FUTPCWLSSNYCQV-RQJABVFESA-N 1 2 351.403 1.274 20 5 FDBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602846333 553649773 /nfs/dbraw/zinc/64/97/73/553649773.db2.gz FUTPCWLSSNYCQV-RQJABVFESA-N 1 2 351.403 1.274 20 5 FDBDLO COc1ccc(Cn2cc(C[NH+]3CCC(OC)CC3)nn2)cc1[N+](=O)[O-] ZINC000603206377 553731993 /nfs/dbraw/zinc/73/19/93/553731993.db2.gz RWPGUCQOMLBYJL-UHFFFAOYSA-N 1 2 361.402 1.854 20 5 FDBDLO CSCCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000603472562 553792579 /nfs/dbraw/zinc/79/25/79/553792579.db2.gz AUBSFDBPELJDIO-UHFFFAOYSA-N 1 2 374.488 1.306 20 5 FDBDLO Cc1cn2cc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000608869012 554326809 /nfs/dbraw/zinc/32/68/09/554326809.db2.gz HIRGYZYRJULGBP-UHFFFAOYSA-N 1 2 353.338 1.919 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609134691 554341103 /nfs/dbraw/zinc/34/11/03/554341103.db2.gz HVQLGVXCUKTIJD-ZDUSSCGKSA-N 1 2 366.399 1.826 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609178364 554346270 /nfs/dbraw/zinc/34/62/70/554346270.db2.gz SPEUFPYETUHJFG-AWEZNQCLSA-N 1 2 362.430 1.646 20 5 FDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609178364 554346271 /nfs/dbraw/zinc/34/62/71/554346271.db2.gz SPEUFPYETUHJFG-AWEZNQCLSA-N 1 2 362.430 1.646 20 5 FDBDLO CNC(=O)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000609616318 554402179 /nfs/dbraw/zinc/40/21/79/554402179.db2.gz JQTGOMWVDWTARA-UHFFFAOYSA-N 1 2 355.398 1.672 20 5 FDBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609849864 554429641 /nfs/dbraw/zinc/42/96/41/554429641.db2.gz ODPIQFBVPPTAIO-ZDUSSCGKSA-N 1 2 372.429 1.575 20 5 FDBDLO CCOC(=O)c1ccnc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000609961048 554444470 /nfs/dbraw/zinc/44/44/70/554444470.db2.gz YXAZNXWSPAIFEX-AWEZNQCLSA-N 1 2 366.418 1.935 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610304470 554489782 /nfs/dbraw/zinc/48/97/82/554489782.db2.gz IMZHKSQMIGEOQA-OAHLLOKOSA-N 1 2 368.397 1.933 20 5 FDBDLO Cc1cccn2cc(CCNC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[nH+]c12 ZINC000610435012 554505717 /nfs/dbraw/zinc/50/57/17/554505717.db2.gz VFCVCYNPEPSMJW-UHFFFAOYSA-N 1 2 355.354 1.072 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000610922888 554581294 /nfs/dbraw/zinc/58/12/94/554581294.db2.gz UJJSKMVLECGQFZ-CYBMUJFWSA-N 1 2 365.434 1.768 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000610922888 554581295 /nfs/dbraw/zinc/58/12/95/554581295.db2.gz UJJSKMVLECGQFZ-CYBMUJFWSA-N 1 2 365.434 1.768 20 5 FDBDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611204858 554615005 /nfs/dbraw/zinc/61/50/05/554615005.db2.gz CKJMNCPOGFCACA-JTQLQIEISA-N 1 2 356.810 1.985 20 5 FDBDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611204858 554615006 /nfs/dbraw/zinc/61/50/06/554615006.db2.gz CKJMNCPOGFCACA-JTQLQIEISA-N 1 2 356.810 1.985 20 5 FDBDLO 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/nfs/dbraw/zinc/57/10/85/947571085.db2.gz LWMNSOOSWHYLHT-TXEJJXNPSA-N 1 2 353.423 1.623 20 5 FDBDLO COCC[N@H+]1[C@H](C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000844020957 947571092 /nfs/dbraw/zinc/57/10/92/947571092.db2.gz LWMNSOOSWHYLHT-TXEJJXNPSA-N 1 2 353.423 1.623 20 5 FDBDLO COCC[N@@H+]1[C@H](C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000844020957 947571097 /nfs/dbraw/zinc/57/10/97/947571097.db2.gz LWMNSOOSWHYLHT-TXEJJXNPSA-N 1 2 353.423 1.623 20 5 FDBDLO C[C@H](CC(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC000845280925 948950538 /nfs/dbraw/zinc/95/05/38/948950538.db2.gz KWJALGHCACSDLA-GFCCVEGCSA-N 1 2 358.354 1.875 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000846616982 951380072 /nfs/dbraw/zinc/38/00/72/951380072.db2.gz KLAYIEGNAVNGQO-UHFFFAOYSA-N 1 2 371.821 1.669 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846623000 951385762 /nfs/dbraw/zinc/38/57/62/951385762.db2.gz 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ZINC001194060069 969979107 /nfs/dbraw/zinc/97/91/07/969979107.db2.gz IKOSPHVJMMSBQL-NSHDSACASA-N 1 2 350.400 1.516 20 5 FDBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001194060068 969979283 /nfs/dbraw/zinc/97/92/83/969979283.db2.gz IKOSPHVJMMSBQL-LLVKDONJSA-N 1 2 350.400 1.516 20 5 FDBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC001194060068 969979290 /nfs/dbraw/zinc/97/92/90/969979290.db2.gz IKOSPHVJMMSBQL-LLVKDONJSA-N 1 2 350.400 1.516 20 5 FDBDLO CC(C)(C)[C@H]1CNC(=O)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198122752 972803716 /nfs/dbraw/zinc/80/37/16/972803716.db2.gz WFZZBLCDNJUNNT-SWLSCSKDSA-N 1 2 351.403 1.181 20 5 FDBDLO CC(C)(C)[C@H]1CNC(=O)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198122752 972803727 /nfs/dbraw/zinc/80/37/27/972803727.db2.gz WFZZBLCDNJUNNT-SWLSCSKDSA-N 1 2 351.403 1.181 20 5 FDBDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000866195455 975475427 /nfs/dbraw/zinc/47/54/27/975475427.db2.gz VKOZOKPFBIPODK-HNNXBMFYSA-N 1 2 370.413 1.820 20 5 FDBDLO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000866195455 975475429 /nfs/dbraw/zinc/47/54/29/975475429.db2.gz VKOZOKPFBIPODK-HNNXBMFYSA-N 1 2 370.413 1.820 20 5 FDBDLO C[C@H]1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000121622985 976180994 /nfs/dbraw/zinc/18/09/94/976180994.db2.gz OJDUEACAEZFETJ-LRDDRELGSA-N 1 2 369.381 1.928 20 5 FDBDLO CO[C@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCOC1 ZINC000849793391 977985236 /nfs/dbraw/zinc/98/52/36/977985236.db2.gz HAERWXQDLPYWLG-XJKSGUPXSA-N 1 2 361.354 1.989 20 5 FDBDLO CC1(C)OC[C@H](CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)O1 ZINC000851726588 979017834 /nfs/dbraw/zinc/01/78/34/979017834.db2.gz TVIIXKBCMLSEIX-LBPRGKRZSA-N 1 2 369.443 1.956 20 5 FDBDLO COC(=O)CCN1CCC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000851869560 979136496 /nfs/dbraw/zinc/13/64/96/979136496.db2.gz KMJIMKIKISGSQM-MRXNPFEDSA-N 1 2 361.398 1.507 20 5 FDBDLO COC(=O)CCN1CCC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000851869560 979136498 /nfs/dbraw/zinc/13/64/98/979136498.db2.gz KMJIMKIKISGSQM-MRXNPFEDSA-N 1 2 361.398 1.507 20 5 FDBDLO Cc1noc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1[N+](=O)[O-] ZINC000851889963 979166625 /nfs/dbraw/zinc/16/66/25/979166625.db2.gz IIQPCHOEWANMQF-UHFFFAOYSA-N 1 2 361.358 1.429 20 5 FDBDLO CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000882376348 980598541 /nfs/dbraw/zinc/59/85/41/980598541.db2.gz UUWFDXKMXYZWSD-HOCLYGCPSA-N 1 2 360.370 1.656 20 5 FDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000857943787 981756042 /nfs/dbraw/zinc/75/60/42/981756042.db2.gz GUHRSGAUYDPBST-BDJLRTHQSA-N 1 2 355.354 1.416 20 5 FDBDLO O=[N+]([O-])c1ccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)c(Cl)c1 ZINC000883992153 982687015 /nfs/dbraw/zinc/68/70/15/982687015.db2.gz DNIDNGSAGPNLCR-UHFFFAOYSA-N 1 2 351.794 1.845 20 5 FDBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CC1(O)CCOCC1 ZINC000871971299 987385768 /nfs/dbraw/zinc/38/57/68/987385768.db2.gz LPKPXWMFPZPFLL-CQSZACIVSA-N 1 2 358.822 1.973 20 5 FDBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CC1(O)CCOCC1 ZINC000871971299 987385775 /nfs/dbraw/zinc/38/57/75/987385775.db2.gz LPKPXWMFPZPFLL-CQSZACIVSA-N 1 2 358.822 1.973 20 5 FDBDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000360418855 988024371 /nfs/dbraw/zinc/02/43/71/988024371.db2.gz MPWMIRUCXXRLKT-UHFFFAOYSA-N 1 2 363.418 1.052 20 5 FDBDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000360418855 988024387 /nfs/dbraw/zinc/02/43/87/988024387.db2.gz MPWMIRUCXXRLKT-UHFFFAOYSA-N 1 2 363.418 1.052 20 5 FDBDLO O=C1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCc3cccc(c32)N1 ZINC000366307960 988610824 /nfs/dbraw/zinc/61/08/24/988610824.db2.gz HUUWQBQNSUJIKV-HOCLYGCPSA-N 1 2 371.397 1.484 20 5 FDBDLO O=C1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCc3cccc(c32)N1 ZINC000366307960 988610828 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Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874896320 990604832 /nfs/dbraw/zinc/60/48/32/990604832.db2.gz LCCXLGYMKABYCW-HNNXBMFYSA-N 1 2 361.377 1.802 20 5 FDBDLO CCCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000372653444 991303148 /nfs/dbraw/zinc/30/31/48/991303148.db2.gz DLWOZPGMDBTRBA-CVEARBPZSA-N 1 2 361.446 1.966 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000374551089 992889241 /nfs/dbraw/zinc/88/92/41/992889241.db2.gz KSYPVMGGLOUYJY-ZDUSSCGKSA-N 1 2 370.413 2.094 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000374551089 992889260 /nfs/dbraw/zinc/88/92/60/992889260.db2.gz KSYPVMGGLOUYJY-ZDUSSCGKSA-N 1 2 370.413 2.094 20 5 FDBDLO C[NH+]1CCC([NH+]2CCC(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC001598585454 993375671 /nfs/dbraw/zinc/37/56/71/993375671.db2.gz LFRVUUKFXJHMNA-UHFFFAOYSA-N 1 2 363.418 1.659 20 5 FDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000470173171 993960720 /nfs/dbraw/zinc/96/07/20/993960720.db2.gz JCVCYVSXAFMRPE-PTNGSMBKSA-N 1 2 358.442 1.894 20 5 FDBDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878528012 993998763 /nfs/dbraw/zinc/99/87/63/993998763.db2.gz MZTWEKCHABIXBB-CYBMUJFWSA-N 1 2 361.402 1.797 20 5 FDBDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878528012 993998765 /nfs/dbraw/zinc/99/87/65/993998765.db2.gz MZTWEKCHABIXBB-CYBMUJFWSA-N 1 2 361.402 1.797 20 5 FDBDLO CCN1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000471070019 994246407 /nfs/dbraw/zinc/24/64/07/994246407.db2.gz FZDGFNCOKXJEOB-HNNXBMFYSA-N 1 2 358.402 1.296 20 5 FDBDLO CCN1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000471070019 994246413 /nfs/dbraw/zinc/24/64/13/994246413.db2.gz FZDGFNCOKXJEOB-HNNXBMFYSA-N 1 2 358.402 1.296 20 5 FDBDLO COc1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)cc1[N+](=O)[O-] 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ZINC000289647739 1000110969 /nfs/dbraw/zinc/11/09/69/1000110969.db2.gz DNJWODSRAGFORX-IIAWOOMASA-N 1 2 362.430 1.717 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289647739 1000110971 /nfs/dbraw/zinc/11/09/71/1000110971.db2.gz DNJWODSRAGFORX-IIAWOOMASA-N 1 2 362.430 1.717 20 5 FDBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000928651848 1001609234 /nfs/dbraw/zinc/60/92/34/1001609234.db2.gz SHBOSJWQUKQPEA-AWEZNQCLSA-N 1 2 351.403 1.752 20 5 FDBDLO COC(=O)c1cccc2c1OCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000932654359 1005069443 /nfs/dbraw/zinc/06/94/43/1005069443.db2.gz UXLVEPVQLUOZNW-UHFFFAOYSA-N 1 2 360.370 1.781 20 5 FDBDLO COC(=O)c1cccc2c1OCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000932654359 1005069450 /nfs/dbraw/zinc/06/94/50/1005069450.db2.gz UXLVEPVQLUOZNW-UHFFFAOYSA-N 1 2 360.370 1.781 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000932882217 1005228021 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FDBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000156343141 671954327 /nfs/dbraw/zinc/95/43/27/671954327.db2.gz IVMOVVDYQCZIJE-CYBMUJFWSA-N 1 2 350.400 1.883 20 5 FDBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000156343141 671954330 /nfs/dbraw/zinc/95/43/30/671954330.db2.gz IVMOVVDYQCZIJE-CYBMUJFWSA-N 1 2 350.400 1.883 20 5 FDBDLO CC[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246093114 672487572 /nfs/dbraw/zinc/48/75/72/672487572.db2.gz KLJOQEKTDNSBJI-UONOGXRCSA-N 1 2 371.459 1.369 20 5 FDBDLO CC[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246093114 672487580 /nfs/dbraw/zinc/48/75/80/672487580.db2.gz KLJOQEKTDNSBJI-UONOGXRCSA-N 1 2 371.459 1.369 20 5 FDBDLO C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549318 673145544 /nfs/dbraw/zinc/14/55/44/673145544.db2.gz SVCDRGHSOYZIFT-NSHDSACASA-N 1 2 362.312 1.043 20 5 FDBDLO C[N@H+](Cc1nccn1CC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266549318 673145546 /nfs/dbraw/zinc/14/55/46/673145546.db2.gz SVCDRGHSOYZIFT-NSHDSACASA-N 1 2 362.312 1.043 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267456322 673306060 /nfs/dbraw/zinc/30/60/60/673306060.db2.gz PCSYWQHPNSMGOS-UHFFFAOYSA-N 1 2 350.419 1.375 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000279310560 675273533 /nfs/dbraw/zinc/27/35/33/675273533.db2.gz NKVFKQMOQQJDMX-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000279310560 675273535 /nfs/dbraw/zinc/27/35/35/675273535.db2.gz NKVFKQMOQQJDMX-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO COc1cc(CN(C)[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000279411324 675290456 /nfs/dbraw/zinc/29/04/56/675290456.db2.gz MBPGVPOGXOXYKY-CYBMUJFWSA-N 1 2 353.419 1.765 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282078647 675595089 /nfs/dbraw/zinc/59/50/89/675595089.db2.gz HLTMASLEYYNMPF-NSHDSACASA-N 1 2 350.375 1.095 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282078647 675595093 /nfs/dbraw/zinc/59/50/93/675595093.db2.gz HLTMASLEYYNMPF-NSHDSACASA-N 1 2 350.375 1.095 20 5 FDBDLO NC(=O)c1ccc(SCC(=O)N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299308420 676526377 /nfs/dbraw/zinc/52/63/77/676526377.db2.gz BASLCWNYKYMWLL-UHFFFAOYSA-N 1 2 364.427 1.092 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000362055625 676907264 /nfs/dbraw/zinc/90/72/64/676907264.db2.gz YBNLQYDLYJXYQH-CQSZACIVSA-N 1 2 364.427 1.690 20 5 FDBDLO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000363807816 676974300 /nfs/dbraw/zinc/97/43/00/676974300.db2.gz ZOJYCYKADJVXCE-GXTWGEPZSA-N 1 2 351.378 1.771 20 5 FDBDLO CCc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000365578530 677364659 /nfs/dbraw/zinc/36/46/59/677364659.db2.gz KOLFGXGYFXHHTH-STQMWFEESA-N 1 2 351.407 1.254 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1OC ZINC000372687882 677961217 /nfs/dbraw/zinc/96/12/17/677961217.db2.gz YFIQOIPETZRIDP-MRXNPFEDSA-N 1 2 351.359 1.686 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1OC ZINC000372687882 677961221 /nfs/dbraw/zinc/96/12/21/677961221.db2.gz YFIQOIPETZRIDP-MRXNPFEDSA-N 1 2 351.359 1.686 20 5 FDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377495057 678548663 /nfs/dbraw/zinc/54/86/63/678548663.db2.gz QGPMKLOCVMYBBY-UWVGGRQHSA-N 1 2 354.794 1.773 20 5 FDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377495057 678548669 /nfs/dbraw/zinc/54/86/69/678548669.db2.gz QGPMKLOCVMYBBY-UWVGGRQHSA-N 1 2 354.794 1.773 20 5 FDBDLO COc1cccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000416027421 679545906 /nfs/dbraw/zinc/54/59/06/679545906.db2.gz LIMJKNYJDZHOPD-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000417000322 679739460 /nfs/dbraw/zinc/73/94/60/679739460.db2.gz RKEJVMULDZQQIM-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO Cc1cc(S(=O)(=O)NCCNc2cccc[nH+]2)c(C)cc1[N+](=O)[O-] ZINC000416427334 679616508 /nfs/dbraw/zinc/61/65/08/679616508.db2.gz PFRKXJCLPOZQBS-UHFFFAOYSA-N 1 2 350.400 1.997 20 5 FDBDLO CC[C@@H](C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000419190407 680213531 /nfs/dbraw/zinc/21/35/31/680213531.db2.gz IDAGLYUUGYWEPE-AWEZNQCLSA-N 1 2 357.432 1.326 20 5 FDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000420441443 680452929 /nfs/dbraw/zinc/45/29/29/680452929.db2.gz INIDNAARAUHEQI-VIFPVBQESA-N 1 2 355.750 1.524 20 5 FDBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000421006909 680587858 /nfs/dbraw/zinc/58/78/58/680587858.db2.gz HEVNVLHQTGVFQH-UHFFFAOYSA-N 1 2 350.400 1.400 20 5 FDBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000421006909 680587859 /nfs/dbraw/zinc/58/78/59/680587859.db2.gz HEVNVLHQTGVFQH-UHFFFAOYSA-N 1 2 350.400 1.400 20 5 FDBDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000425209047 680885180 /nfs/dbraw/zinc/88/51/80/680885180.db2.gz SXQFAELBTROMGG-UHFFFAOYSA-N 1 2 371.459 1.467 20 5 FDBDLO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449900837 682721591 /nfs/dbraw/zinc/72/15/91/682721591.db2.gz KSUHZFTZKKGIQJ-PUXAFBORSA-N 1 2 362.411 1.762 20 5 FDBDLO CC1(C)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000451751431 682930344 /nfs/dbraw/zinc/93/03/44/682930344.db2.gz BIYQIAKAUJABNR-RZFZLAGVSA-N 1 2 356.444 1.568 20 5 FDBDLO CC1(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000451751431 682930345 /nfs/dbraw/zinc/93/03/45/682930345.db2.gz BIYQIAKAUJABNR-RZFZLAGVSA-N 1 2 356.444 1.568 20 5 FDBDLO COc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000468928200 684937250 /nfs/dbraw/zinc/93/72/50/684937250.db2.gz IPUZPRSKSNLJNL-UHFFFAOYSA-N 1 2 352.372 1.389 20 5 FDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000471757298 685157766 /nfs/dbraw/zinc/15/77/66/685157766.db2.gz IKIJYXJPRBSMMD-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CCO1 ZINC000486009902 686819392 /nfs/dbraw/zinc/81/93/92/686819392.db2.gz VLQAZKOOAYDUEZ-GFCCVEGCSA-N 1 2 372.447 1.026 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CCO1 ZINC000486009902 686819399 /nfs/dbraw/zinc/81/93/99/686819399.db2.gz VLQAZKOOAYDUEZ-GFCCVEGCSA-N 1 2 372.447 1.026 20 5 FDBDLO C[C@H]1C[C@@H]1C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000488323178 687038114 /nfs/dbraw/zinc/03/81/14/687038114.db2.gz BKIFOCYVSXEZFJ-QWHCGFSZSA-N 1 2 353.444 1.776 20 5 FDBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478859028 782901073 /nfs/dbraw/zinc/90/10/73/782901073.db2.gz BRCCKFGBAGUTLD-AWEZNQCLSA-N 1 2 367.377 1.297 20 5 FDBDLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCCn1cc([N+](=O)[O-])cn1 ZINC000748130957 773234373 /nfs/dbraw/zinc/23/43/73/773234373.db2.gz ZWECBGQDOZIDBV-KRWDZBQOSA-N 1 2 374.397 1.626 20 5 FDBDLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCn1cc([N+](=O)[O-])cn1 ZINC000748130957 773234381 /nfs/dbraw/zinc/23/43/81/773234381.db2.gz ZWECBGQDOZIDBV-KRWDZBQOSA-N 1 2 374.397 1.626 20 5 FDBDLO Cc1cccc(C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1[N+](=O)[O-] ZINC000261611291 774271370 /nfs/dbraw/zinc/27/13/70/774271370.db2.gz AALUYVKYDKHAKV-UHFFFAOYSA-N 1 2 370.413 1.618 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000276792169 779593040 /nfs/dbraw/zinc/59/30/40/779593040.db2.gz KPJOWQAPFYHAHU-LLVKDONJSA-N 1 2 360.374 1.600 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCn2cnnc2[C@H]1C ZINC000276792169 779593045 /nfs/dbraw/zinc/59/30/45/779593045.db2.gz KPJOWQAPFYHAHU-LLVKDONJSA-N 1 2 360.374 1.600 20 5 FDBDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1(C)C ZINC000364763582 785169804 /nfs/dbraw/zinc/16/98/04/785169804.db2.gz FWQMKVMXXYNOBQ-LBPRGKRZSA-N 1 2 365.386 1.673 20 5 FDBDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1(C)C ZINC000364763582 785169807 /nfs/dbraw/zinc/16/98/07/785169807.db2.gz FWQMKVMXXYNOBQ-LBPRGKRZSA-N 1 2 365.386 1.673 20 5 FDBDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1(C)C ZINC000364763581 785170097 /nfs/dbraw/zinc/17/00/97/785170097.db2.gz FWQMKVMXXYNOBQ-GFCCVEGCSA-N 1 2 365.386 1.673 20 5 FDBDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1(C)C ZINC000364763581 785170101 /nfs/dbraw/zinc/17/01/01/785170101.db2.gz FWQMKVMXXYNOBQ-GFCCVEGCSA-N 1 2 365.386 1.673 20 5 FDBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290540345 793483784 /nfs/dbraw/zinc/48/37/84/793483784.db2.gz IIVUNLCGNHRTOB-GFCCVEGCSA-N 1 2 356.386 1.367 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930827942 795180805 /nfs/dbraw/zinc/18/08/05/795180805.db2.gz XNYRBLPTDBLGCT-ZYHUDNBSSA-N 1 2 373.203 1.713 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930827942 795180809 /nfs/dbraw/zinc/18/08/09/795180809.db2.gz XNYRBLPTDBLGCT-ZYHUDNBSSA-N 1 2 373.203 1.713 20 5 FDBDLO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C(F)F)n1 ZINC000981136865 807575435 /nfs/dbraw/zinc/57/54/35/807575435.db2.gz JJAGNUUDGWGYEB-VXGBXAGGSA-N 1 2 357.361 1.057 20 5 FDBDLO Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C(F)F)n1 ZINC000981136865 807575441 /nfs/dbraw/zinc/57/54/41/807575441.db2.gz JJAGNUUDGWGYEB-VXGBXAGGSA-N 1 2 357.361 1.057 20 5 FDBDLO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412690809 808717444 /nfs/dbraw/zinc/71/74/44/808717444.db2.gz AYRRLJNQORVIAM-OAHLLOKOSA-N 1 2 370.409 1.489 20 5 FDBDLO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412690809 808717455 /nfs/dbraw/zinc/71/74/55/808717455.db2.gz AYRRLJNQORVIAM-OAHLLOKOSA-N 1 2 370.409 1.489 20 5 FDBDLO Cc1nc([C@](C)([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000433299485 810403204 /nfs/dbraw/zinc/40/32/04/810403204.db2.gz QXVSMAQIHBMFCL-WMLDXEAASA-N 1 2 362.386 1.941 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000421463906 814158708 /nfs/dbraw/zinc/15/87/08/814158708.db2.gz WUFPKKFAHMZWET-UHFFFAOYSA-N 1 2 373.413 1.993 20 5 FDBDLO Cc1cc(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000422372432 814812899 /nfs/dbraw/zinc/81/28/99/814812899.db2.gz CDTHERNKKNZMRC-UHFFFAOYSA-N 1 2 356.382 1.848 20 5 FDBDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)c1 ZINC000505548145 815817274 /nfs/dbraw/zinc/81/72/74/815817274.db2.gz YRSKRMCTRKWXGT-ZDUSSCGKSA-N 1 2 374.401 1.100 20 5 FDBDLO O=C(N[C@H]1C[C@H](C[NH2+]Cc2noc(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983658187 818433359 /nfs/dbraw/zinc/43/33/59/818433359.db2.gz SUVPGQGDFQGWRQ-NMFUWQPSSA-N 1 2 371.397 1.386 20 5 FDBDLO 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C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853512397 968066248 /nfs/dbraw/zinc/06/62/48/968066248.db2.gz DZVFHPXZEOHSNY-HUUCEWRRSA-N 1 2 372.429 1.606 20 5 FDBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853512397 968066256 /nfs/dbraw/zinc/06/62/56/968066256.db2.gz DZVFHPXZEOHSNY-HUUCEWRRSA-N 1 2 372.429 1.606 20 5 FDBDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853512397 968066263 /nfs/dbraw/zinc/06/62/63/968066263.db2.gz DZVFHPXZEOHSNY-HUUCEWRRSA-N 1 2 372.429 1.606 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854730305 969926744 /nfs/dbraw/zinc/92/67/44/969926744.db2.gz IDKTYHKRGWQOLQ-ZDUSSCGKSA-N 1 2 367.377 1.436 20 5 FDBDLO COC(=O)N(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000855892752 970753895 /nfs/dbraw/zinc/75/38/95/970753895.db2.gz LGGQPDBLYDTVAE-UHFFFAOYSA-N 1 2 361.358 1.551 20 5 FDBDLO COC(=O)[C@@H]1CC12CC[NH+](Cn1c(=O)oc3cccc([N+](=O)[O-])c31)CC2 ZINC000794629487 973492167 /nfs/dbraw/zinc/49/21/67/973492167.db2.gz WOGTXLUUGIVTRN-NSHDSACASA-N 1 2 361.354 1.735 20 5 FDBDLO CC1(C)C[C@](C)(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C(=O)O1 ZINC000848147842 976383399 /nfs/dbraw/zinc/38/33/99/976383399.db2.gz MJKKVJXHMZKXKG-KRWDZBQOSA-N 1 2 358.354 1.995 20 5 FDBDLO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000848484460 976817521 /nfs/dbraw/zinc/81/75/21/976817521.db2.gz LKAKBEPLHUZPHV-CQSZACIVSA-N 1 2 369.368 1.960 20 5 FDBDLO COCCCNC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194599 977358593 /nfs/dbraw/zinc/35/85/93/977358593.db2.gz UHVXTGWHWBJGKA-UHFFFAOYSA-N 1 2 362.342 1.090 20 5 FDBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868631757 977842194 /nfs/dbraw/zinc/84/21/94/977842194.db2.gz NQKJUEHQAFBDKT-CQSZACIVSA-N 1 2 351.378 1.600 20 5 FDBDLO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882508709 980689654 /nfs/dbraw/zinc/68/96/54/980689654.db2.gz LHUSELCTESPTQR-CYBMUJFWSA-N 1 2 351.428 1.910 20 5 FDBDLO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000882508709 980689657 /nfs/dbraw/zinc/68/96/57/980689657.db2.gz LHUSELCTESPTQR-CYBMUJFWSA-N 1 2 351.428 1.910 20 5 FDBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000882690664 981604942 /nfs/dbraw/zinc/60/49/42/981604942.db2.gz VESLLPOZWRMCDG-UHFFFAOYSA-N 1 2 355.398 1.952 20 5 FDBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857886258 981725597 /nfs/dbraw/zinc/72/55/97/981725597.db2.gz VTQPJADECAFADX-SECBINFHSA-N 1 2 363.761 1.758 20 5 FDBDLO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ncc1Br ZINC000857978446 981776872 /nfs/dbraw/zinc/77/68/72/981776872.db2.gz FXSPMQXNJSTCFE-VIFPVBQESA-N 1 2 352.148 1.824 20 5 FDBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000872089816 987451715 /nfs/dbraw/zinc/45/17/15/987451715.db2.gz GBVFJSXWLWFYPW-JTQLQIEISA-N 1 2 374.488 1.458 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000361417172 988374172 /nfs/dbraw/zinc/37/41/72/988374172.db2.gz MNAUIEFPLAUHQE-MAZHCROVSA-N 1 2 360.414 1.960 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000361417172 988374186 /nfs/dbraw/zinc/37/41/86/988374186.db2.gz MNAUIEFPLAUHQE-MAZHCROVSA-N 1 2 360.414 1.960 20 5 FDBDLO CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299414773 988446231 /nfs/dbraw/zinc/44/62/31/988446231.db2.gz RXEIRDZYHSUTBC-RYUDHWBXSA-N 1 2 359.386 1.814 20 5 FDBDLO NC(=O)C1([NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000363392521 989157089 /nfs/dbraw/zinc/15/70/89/989157089.db2.gz HXVRAUXFAJFQLA-UHFFFAOYSA-N 1 2 361.402 1.542 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000364115133 989497675 /nfs/dbraw/zinc/49/76/75/989497675.db2.gz XYLHGRSYRVXQGI-ZDUSSCGKSA-N 1 2 371.397 1.900 20 5 FDBDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)no1 ZINC000364664541 989706840 /nfs/dbraw/zinc/70/68/40/989706840.db2.gz QEGAGCSLCJTNNU-ZDUSSCGKSA-N 1 2 363.422 1.819 20 5 FDBDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)no1 ZINC000364664541 989706849 /nfs/dbraw/zinc/70/68/49/989706849.db2.gz QEGAGCSLCJTNNU-ZDUSSCGKSA-N 1 2 363.422 1.819 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000411330102 992341682 /nfs/dbraw/zinc/34/16/82/992341682.db2.gz SCWUKRUJHJXUSM-ZDUSSCGKSA-N 1 2 371.397 1.900 20 5 FDBDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)[nH]1 ZINC000412036099 992773343 /nfs/dbraw/zinc/77/33/43/992773343.db2.gz GZSQZOFWSSJPIP-IUODEOHRSA-N 1 2 356.386 1.616 20 5 FDBDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)[nH]1 ZINC000412036099 992773352 /nfs/dbraw/zinc/77/33/52/992773352.db2.gz GZSQZOFWSSJPIP-IUODEOHRSA-N 1 2 356.386 1.616 20 5 FDBDLO C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412690808 992970624 /nfs/dbraw/zinc/97/06/24/992970624.db2.gz AYRRLJNQORVIAM-HNNXBMFYSA-N 1 2 370.409 1.489 20 5 FDBDLO C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412690808 992970627 /nfs/dbraw/zinc/97/06/27/992970627.db2.gz AYRRLJNQORVIAM-HNNXBMFYSA-N 1 2 370.409 1.489 20 5 FDBDLO CCON(C)C(=O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877612651 993379350 /nfs/dbraw/zinc/37/93/50/993379350.db2.gz SOPMEIQBODVLSK-UHFFFAOYSA-N 1 2 352.210 1.918 20 5 FDBDLO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000469060413 993751796 /nfs/dbraw/zinc/75/17/96/993751796.db2.gz VTCUZCGGPCAIJE-UHFFFAOYSA-N 1 2 372.381 1.168 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000469887845 993898548 /nfs/dbraw/zinc/89/85/48/993898548.db2.gz KYNYIGWGNNRELZ-GOSISDBHSA-N 1 2 356.382 1.832 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(NC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000471045412 994239527 /nfs/dbraw/zinc/23/95/27/994239527.db2.gz SNWIHTKUPNEGRD-SNVBAGLBSA-N 1 2 365.390 1.063 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000266947767 999273475 /nfs/dbraw/zinc/27/34/75/999273475.db2.gz SFJSBDKPCNVUJE-GFCCVEGCSA-N 1 2 364.402 1.195 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000270870637 999627518 /nfs/dbraw/zinc/62/75/18/999627518.db2.gz JBHPFAXPKLHQNC-KGLIPLIRSA-N 1 2 360.414 1.927 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000270870637 999627520 /nfs/dbraw/zinc/62/75/20/999627520.db2.gz JBHPFAXPKLHQNC-KGLIPLIRSA-N 1 2 360.414 1.927 20 5 FDBDLO COC(=O)c1cc(C)nc(N2CCC[C@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000283723883 999760932 /nfs/dbraw/zinc/76/09/32/999760932.db2.gz GRAQMMWTTCXRTC-ZDUSSCGKSA-N 1 2 364.402 1.386 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000284689222 999865613 /nfs/dbraw/zinc/86/56/13/999865613.db2.gz HVGRPKBQJDDFLH-JSGCOSHPSA-N 1 2 363.370 1.905 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000284689222 999865618 /nfs/dbraw/zinc/86/56/18/999865618.db2.gz HVGRPKBQJDDFLH-JSGCOSHPSA-N 1 2 363.370 1.905 20 5 FDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000777668910 1001321129 /nfs/dbraw/zinc/32/11/29/1001321129.db2.gz ACKNZRIWGWTDGK-CQSZACIVSA-N 1 2 370.413 1.638 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000930585900 1003292964 /nfs/dbraw/zinc/29/29/64/1003292964.db2.gz TZSSIBYUWXYGJS-KEYYUXOJSA-N 1 2 361.398 1.157 20 5 FDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935119848 1005852271 /nfs/dbraw/zinc/85/22/71/1005852271.db2.gz ZZEIUDANRAZTMK-SJORKVTESA-N 1 2 363.414 1.133 20 5 FDBDLO COCCn1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000507157506 538913150 /nfs/dbraw/zinc/91/31/50/538913150.db2.gz NNBFNBDTKOGUIV-UHFFFAOYSA-N 1 2 356.342 1.876 20 5 FDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191209039 178045694 /nfs/dbraw/zinc/04/56/94/178045694.db2.gz HNHRVMIXRJFYGD-XUWXXGDYSA-N 1 2 373.409 1.757 20 5 FDBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191209039 178045695 /nfs/dbraw/zinc/04/56/95/178045695.db2.gz HNHRVMIXRJFYGD-XUWXXGDYSA-N 1 2 373.409 1.757 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000191978957 178079067 /nfs/dbraw/zinc/07/90/67/178079067.db2.gz ASZHTQGZGPPQPE-CQSZACIVSA-N 1 2 369.443 1.353 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000191978957 178079068 /nfs/dbraw/zinc/07/90/68/178079068.db2.gz ASZHTQGZGPPQPE-CQSZACIVSA-N 1 2 369.443 1.353 20 5 FDBDLO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000245746221 178378546 /nfs/dbraw/zinc/37/85/46/178378546.db2.gz AFRCUHJHAFZGJY-HOTGVXAUSA-N 1 2 371.393 1.666 20 5 FDBDLO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000245746221 178378548 /nfs/dbraw/zinc/37/85/48/178378548.db2.gz AFRCUHJHAFZGJY-HOTGVXAUSA-N 1 2 371.393 1.666 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000510221241 538954071 /nfs/dbraw/zinc/95/40/71/538954071.db2.gz GWAYHKMYPSUUPM-UHFFFAOYSA-N 1 2 374.401 1.083 20 5 FDBDLO CNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000517786777 539382640 /nfs/dbraw/zinc/38/26/40/539382640.db2.gz DYTSYZFKEHQNMW-LBPRGKRZSA-N 1 2 364.402 1.251 20 5 FDBDLO CNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000517786777 539382646 /nfs/dbraw/zinc/38/26/46/539382646.db2.gz DYTSYZFKEHQNMW-LBPRGKRZSA-N 1 2 364.402 1.251 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000261759254 178615462 /nfs/dbraw/zinc/61/54/62/178615462.db2.gz QWTMZGXVJUWVOL-MRXNPFEDSA-N 1 2 362.411 1.633 20 5 FDBDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000264327121 179078830 /nfs/dbraw/zinc/07/88/30/179078830.db2.gz RWTKYDXEVWFIIU-UHFFFAOYSA-N 1 2 363.349 1.515 20 5 FDBDLO O=Cc1ccc(OCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000264545709 179132855 /nfs/dbraw/zinc/13/28/55/179132855.db2.gz QYCRCIVEFBTYSV-UHFFFAOYSA-N 1 2 358.354 1.915 20 5 FDBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522241028 539552353 /nfs/dbraw/zinc/55/23/53/539552353.db2.gz IJAMZZJHWHUOCI-UHFFFAOYSA-N 1 2 353.342 1.412 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264939623 179245867 /nfs/dbraw/zinc/24/58/67/179245867.db2.gz SNBUOOCXLWMNIH-OCCSQVGLSA-N 1 2 360.432 1.090 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264939623 179245869 /nfs/dbraw/zinc/24/58/69/179245869.db2.gz SNBUOOCXLWMNIH-OCCSQVGLSA-N 1 2 360.432 1.090 20 5 FDBDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)NCc1cccc([N+](=O)[O-])c1 ZINC000524337214 539642038 /nfs/dbraw/zinc/64/20/38/539642038.db2.gz NVBKNFHWOJZWFG-UHFFFAOYSA-N 1 2 371.397 1.826 20 5 FDBDLO CCC(=O)N1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000268585784 180120926 /nfs/dbraw/zinc/12/09/26/180120926.db2.gz JVHVJAUQGRCMMD-ZDUSSCGKSA-N 1 2 357.370 1.521 20 5 FDBDLO CNC(=O)C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000269050123 180205300 /nfs/dbraw/zinc/20/53/00/180205300.db2.gz VRCWAHSQYCPTQW-UHFFFAOYSA-N 1 2 357.208 1.225 20 5 FDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1C[NH+]1CCOCC1 ZINC000269124701 180221930 /nfs/dbraw/zinc/22/19/30/180221930.db2.gz WLEQQEQMWRWASV-UHFFFAOYSA-N 1 2 359.386 1.054 20 5 FDBDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269619028 180342442 /nfs/dbraw/zinc/34/24/42/180342442.db2.gz NAUYVUVXSSJLBH-RISCZKNCSA-N 1 2 367.427 1.902 20 5 FDBDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000269619028 180342445 /nfs/dbraw/zinc/34/24/45/180342445.db2.gz NAUYVUVXSSJLBH-RISCZKNCSA-N 1 2 367.427 1.902 20 5 FDBDLO Cc1ccc([C@H](C)NS(=O)(=O)CCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000274212651 181047099 /nfs/dbraw/zinc/04/70/99/181047099.db2.gz LIULJUXWHLHPKK-AWEZNQCLSA-N 1 2 371.459 1.606 20 5 FDBDLO Cc1nc(N2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000274232400 181052394 /nfs/dbraw/zinc/05/23/94/181052394.db2.gz QIZICDXBJHVHKX-UHFFFAOYSA-N 1 2 370.413 1.768 20 5 FDBDLO Cn1ncnc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274811546 181170314 /nfs/dbraw/zinc/17/03/14/181170314.db2.gz HZFNHJQVNHMTNH-UHFFFAOYSA-N 1 2 356.390 1.312 20 5 FDBDLO Cn1ncnc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274811546 181170317 /nfs/dbraw/zinc/17/03/17/181170317.db2.gz HZFNHJQVNHMTNH-UHFFFAOYSA-N 1 2 356.390 1.312 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000533113868 540203460 /nfs/dbraw/zinc/20/34/60/540203460.db2.gz VOWSQUMTIMPEPQ-LBPRGKRZSA-N 1 2 368.357 1.313 20 5 FDBDLO 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FDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nc1 ZINC000546187834 542119219 /nfs/dbraw/zinc/11/92/19/542119219.db2.gz BLPWSMOEDOVTSG-UHFFFAOYSA-N 1 2 357.370 1.478 20 5 FDBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[nH+]1 ZINC000286530703 183089643 /nfs/dbraw/zinc/08/96/43/183089643.db2.gz HYHCQPAQMFGDSO-UHFFFAOYSA-N 1 2 350.400 1.990 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287434803 183291840 /nfs/dbraw/zinc/29/18/40/183291840.db2.gz FOYIVMQLUROEMU-OCCSQVGLSA-N 1 2 364.402 1.930 20 5 FDBDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294723647 184003656 /nfs/dbraw/zinc/00/36/56/184003656.db2.gz FQEZMQTUKPIBLO-XMMPIXPASA-N 1 2 354.428 1.871 20 5 FDBDLO CN1CC[N@H+](C)C[C@H]1c1noc(-c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000547205548 542285837 /nfs/dbraw/zinc/28/58/37/542285837.db2.gz AZSLNSMKNNSXAD-AWEZNQCLSA-N 1 2 370.369 1.817 20 5 FDBDLO 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ZINC000298117563 184395674 /nfs/dbraw/zinc/39/56/74/184395674.db2.gz MRGKBXCVBHFZOD-QWHCGFSZSA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1cc(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000547752108 542437221 /nfs/dbraw/zinc/43/72/21/542437221.db2.gz WZELZZGXALYDKP-UHFFFAOYSA-N 1 2 359.390 1.502 20 5 FDBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172719671 258282965 /nfs/dbraw/zinc/28/29/65/258282965.db2.gz AOPXNSAPTHTPAM-GFCCVEGCSA-N 1 2 352.416 1.888 20 5 FDBDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000172719671 258282966 /nfs/dbraw/zinc/28/29/66/258282966.db2.gz AOPXNSAPTHTPAM-GFCCVEGCSA-N 1 2 352.416 1.888 20 5 FDBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccnc(N)c3[N+](=O)[O-])c2)CC1 ZINC000548385944 542652568 /nfs/dbraw/zinc/65/25/68/542652568.db2.gz JETXGCVVZLIYRS-UHFFFAOYSA-N 1 2 370.413 1.572 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000549340652 542870092 /nfs/dbraw/zinc/87/00/92/542870092.db2.gz ZOSVFBTYFYXTPB-UHFFFAOYSA-N 1 2 373.413 1.685 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552047268 543411049 /nfs/dbraw/zinc/41/10/49/543411049.db2.gz GCKKMBZXGYHQEY-IRXDYDNUSA-N 1 2 360.414 1.795 20 5 FDBDLO C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000552271205 543445236 /nfs/dbraw/zinc/44/52/36/543445236.db2.gz XTWHLTQSYHVLCZ-CRAIPNDOSA-N 1 2 373.457 1.976 20 5 FDBDLO Cn1cc(C[NH+]2CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)cn1 ZINC000552860941 543528772 /nfs/dbraw/zinc/52/87/72/543528772.db2.gz GKHGABFTVOJBAH-UHFFFAOYSA-N 1 2 368.397 1.768 20 5 FDBDLO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000066941787 172002816 /nfs/dbraw/zinc/00/28/16/172002816.db2.gz CEQCXMVOJNNAEU-UHFFFAOYSA-N 1 2 371.397 1.377 20 5 FDBDLO Nc1c(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cccc1[N+](=O)[O-] ZINC000086247328 172221339 /nfs/dbraw/zinc/22/13/39/172221339.db2.gz QUYUONXXUXOKSZ-UHFFFAOYSA-N 1 2 356.382 1.841 20 5 FDBDLO 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C[C@H]([C@H](C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000130444718 173169771 /nfs/dbraw/zinc/16/97/71/173169771.db2.gz BQQOGMVAAROWQD-QWHCGFSZSA-N 1 2 360.414 1.844 20 5 FDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000134813280 173333668 /nfs/dbraw/zinc/33/36/68/173333668.db2.gz HMRZGRCTIZMXRQ-HNNXBMFYSA-N 1 2 358.398 1.598 20 5 FDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000134813280 173333670 /nfs/dbraw/zinc/33/36/70/173333670.db2.gz HMRZGRCTIZMXRQ-HNNXBMFYSA-N 1 2 358.398 1.598 20 5 FDBDLO O=C1NCC[C@H]1[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178197244 174176967 /nfs/dbraw/zinc/17/69/67/174176967.db2.gz WKCSATGPVBQIHX-CYBMUJFWSA-N 1 2 358.320 1.624 20 5 FDBDLO CC(C)C[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181500048 174229037 /nfs/dbraw/zinc/22/90/37/174229037.db2.gz GTUAYXHAUNAIBD-UHFFFAOYSA-N 1 2 355.460 1.642 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000173633243 258306111 /nfs/dbraw/zinc/30/61/11/258306111.db2.gz IAFOAERZGGVDGX-NSHDSACASA-N 1 2 374.401 1.648 20 5 FDBDLO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1 ZINC000173801090 258311343 /nfs/dbraw/zinc/31/13/43/258311343.db2.gz KEGZESOHKYSAMV-AFAVFJNCSA-N 1 2 364.377 1.753 20 5 FDBDLO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1 ZINC000173801090 258311344 /nfs/dbraw/zinc/31/13/44/258311344.db2.gz KEGZESOHKYSAMV-AFAVFJNCSA-N 1 2 364.377 1.753 20 5 FDBDLO CC(C)N1CCC[C@@H]([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000177796497 258326607 /nfs/dbraw/zinc/32/66/07/258326607.db2.gz YIKRBUROFKCODW-QGZVFWFLSA-N 1 2 374.441 1.752 20 5 FDBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000178782473 258335217 /nfs/dbraw/zinc/33/52/17/258335217.db2.gz QUNNECWRHDDRBA-INIZCTEOSA-N 1 2 373.457 1.315 20 5 FDBDLO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000247518734 258398879 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374.441 1.674 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000299599763 259009638 /nfs/dbraw/zinc/00/96/38/259009638.db2.gz GWBXDONFYFBFCL-UHFFFAOYSA-N 1 2 374.441 1.674 20 5 FDBDLO COc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301381664 259027197 /nfs/dbraw/zinc/02/71/97/259027197.db2.gz ZMRGCRVVRORJLT-UHFFFAOYSA-N 1 2 362.430 1.738 20 5 FDBDLO C[C@@H]1C[N@@H+](CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301903347 259035822 /nfs/dbraw/zinc/03/58/22/259035822.db2.gz OVLUKNSEXODMAH-BETUJISGSA-N 1 2 371.459 1.910 20 5 FDBDLO C[C@@H]1C[N@H+](CCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301903347 259035823 /nfs/dbraw/zinc/03/58/23/259035823.db2.gz OVLUKNSEXODMAH-BETUJISGSA-N 1 2 371.459 1.910 20 5 FDBDLO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000330782435 259162499 /nfs/dbraw/zinc/16/24/99/259162499.db2.gz GYROTDHMNXCJDE-GFCCVEGCSA-N 1 2 371.340 1.743 20 5 FDBDLO O=C1[C@@H]([NH+]2CCC(O)(C(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331701389 259213689 /nfs/dbraw/zinc/21/36/89/259213689.db2.gz WIYVZRSCBAARGS-ZDUSSCGKSA-N 1 2 355.341 1.792 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000331910226 259228494 /nfs/dbraw/zinc/22/84/94/259228494.db2.gz MUSKJLHTHQRRNQ-UHFFFAOYSA-N 1 2 360.414 1.929 20 5 FDBDLO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332107716 259242197 /nfs/dbraw/zinc/24/21/97/259242197.db2.gz FCHVTJYXMZIKTJ-SWLSCSKDSA-N 1 2 367.427 1.067 20 5 FDBDLO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332107716 259242198 /nfs/dbraw/zinc/24/21/98/259242198.db2.gz FCHVTJYXMZIKTJ-SWLSCSKDSA-N 1 2 367.427 1.067 20 5 FDBDLO COc1cccc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000332377327 259261464 /nfs/dbraw/zinc/26/14/64/259261464.db2.gz WCMBPXXFPNBVDA-ZDUSSCGKSA-N 1 2 359.386 1.466 20 5 FDBDLO CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332378922 259261675 /nfs/dbraw/zinc/26/16/75/259261675.db2.gz WKNOWSUHMWBVQS-CQSZACIVSA-N 1 2 365.415 1.385 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332492076 259270624 /nfs/dbraw/zinc/27/06/24/259270624.db2.gz YANIAKXFFZQFPS-GDBMZVCRSA-N 1 2 364.402 1.218 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332492076 259270625 /nfs/dbraw/zinc/27/06/25/259270625.db2.gz YANIAKXFFZQFPS-GDBMZVCRSA-N 1 2 364.402 1.218 20 5 FDBDLO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000332657035 259286605 /nfs/dbraw/zinc/28/66/05/259286605.db2.gz LSBSNMOOVUZQRR-ABAIWWIYSA-N 1 2 352.366 1.918 20 5 FDBDLO COC(=O)[C@H]1C[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000366152778 259912592 /nfs/dbraw/zinc/91/25/92/259912592.db2.gz SZZWTUBVPYAFBU-OUJBWJOFSA-N 1 2 353.400 1.095 20 5 FDBDLO COC(=O)C[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367515155 260053997 /nfs/dbraw/zinc/05/39/97/260053997.db2.gz YEKXOBPBTAFSCF-UHFFFAOYSA-N 1 2 351.388 1.285 20 5 FDBDLO COC(=O)C[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367515155 260053998 /nfs/dbraw/zinc/05/39/98/260053998.db2.gz YEKXOBPBTAFSCF-UHFFFAOYSA-N 1 2 351.388 1.285 20 5 FDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000367888391 260106311 /nfs/dbraw/zinc/10/63/11/260106311.db2.gz VRNZJUQVRKXONT-LLVKDONJSA-N 1 2 369.777 1.784 20 5 FDBDLO Cc1cc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000368185747 260146061 /nfs/dbraw/zinc/14/60/61/260146061.db2.gz WCEJYZSEIXSOFP-HIFRSBDPSA-N 1 2 353.382 1.933 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000368972863 260270008 /nfs/dbraw/zinc/27/00/08/260270008.db2.gz IAMFVEYNQNZTOR-ZLDLUXBVSA-N 1 2 357.370 1.731 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000368972863 260270009 /nfs/dbraw/zinc/27/00/09/260270009.db2.gz IAMFVEYNQNZTOR-ZLDLUXBVSA-N 1 2 357.370 1.731 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)cc1 ZINC000369175503 260307028 /nfs/dbraw/zinc/30/70/28/260307028.db2.gz WKEBYZDJJNJXQM-AWEZNQCLSA-N 1 2 366.399 1.452 20 5 FDBDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369576161 260393352 /nfs/dbraw/zinc/39/33/52/260393352.db2.gz JJWBUYHYEWSCJT-UHFFFAOYSA-N 1 2 369.385 1.986 20 5 FDBDLO NC(=O)C1([NH+]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CCCC1 ZINC000370063024 260481367 /nfs/dbraw/zinc/48/13/67/260481367.db2.gz OAUVXCUXVYHAKV-UHFFFAOYSA-N 1 2 359.430 1.483 20 5 FDBDLO Cc1cc(C2=CC[N@H+](Cc3nnc4n3CCOC4)CC2)cc([N+](=O)[O-])c1N ZINC000373907415 261051454 /nfs/dbraw/zinc/05/14/54/261051454.db2.gz YPKAOBIICSDKDV-UHFFFAOYSA-N 1 2 370.413 1.896 20 5 FDBDLO Cc1cc(C2=CC[N@@H+](Cc3nnc4n3CCOC4)CC2)cc([N+](=O)[O-])c1N ZINC000373907415 261051455 /nfs/dbraw/zinc/05/14/55/261051455.db2.gz YPKAOBIICSDKDV-UHFFFAOYSA-N 1 2 370.413 1.896 20 5 FDBDLO O=C1CO[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2N1 ZINC000373978164 261060811 /nfs/dbraw/zinc/06/08/11/261060811.db2.gz QHRSFJMFQWAZDC-WCQYABFASA-N 1 2 357.313 1.286 20 5 FDBDLO O=C1CO[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2N1 ZINC000373978164 261060813 /nfs/dbraw/zinc/06/08/13/261060813.db2.gz QHRSFJMFQWAZDC-WCQYABFASA-N 1 2 357.313 1.286 20 5 FDBDLO CNS(=O)(=O)c1ccc(N2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000374710902 261179699 /nfs/dbraw/zinc/17/96/99/261179699.db2.gz FTODQDPFNYWZFD-UHFFFAOYSA-N 1 2 351.388 1.028 20 5 FDBDLO C[N@@H+]1CCN(C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374857891 261212122 /nfs/dbraw/zinc/21/21/22/261212122.db2.gz SOPLAKFCXAMBOA-UHFFFAOYSA-N 1 2 369.425 1.886 20 5 FDBDLO C[N@H+]1CCN(C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374857891 261212125 /nfs/dbraw/zinc/21/21/25/261212125.db2.gz SOPLAKFCXAMBOA-UHFFFAOYSA-N 1 2 369.425 1.886 20 5 FDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375112344 261270898 /nfs/dbraw/zinc/27/08/98/261270898.db2.gz KQDIQPSPHZBCFG-UHFFFAOYSA-N 1 2 354.363 1.745 20 5 FDBDLO COc1cccc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1[N+](=O)[O-] ZINC000375375928 261325794 /nfs/dbraw/zinc/32/57/94/261325794.db2.gz AKWPJIMJQSUNME-KRWDZBQOSA-N 1 2 351.403 1.897 20 5 FDBDLO Cn1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378340997 262009127 /nfs/dbraw/zinc/00/91/27/262009127.db2.gz JJYLHWQXBGTEAD-OAHLLOKOSA-N 1 2 357.370 1.632 20 5 FDBDLO Cn1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378340997 262009129 /nfs/dbraw/zinc/00/91/29/262009129.db2.gz JJYLHWQXBGTEAD-OAHLLOKOSA-N 1 2 357.370 1.632 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)C2 ZINC000378613877 262053835 /nfs/dbraw/zinc/05/38/35/262053835.db2.gz CFBXYKZSKZVOAL-LRDDRELGSA-N 1 2 369.381 1.724 20 5 FDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000022747673 518909337 /nfs/dbraw/zinc/90/93/37/518909337.db2.gz RRALCBNQQSHGPC-HNNXBMFYSA-N 1 2 362.430 1.132 20 5 FDBDLO CC(C)C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000026233671 519110195 /nfs/dbraw/zinc/11/01/95/519110195.db2.gz VXLILBUTIMLCRZ-OAHLLOKOSA-N 1 2 371.459 1.620 20 5 FDBDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596199 519129727 /nfs/dbraw/zinc/12/97/27/519129727.db2.gz BRASFNVSRUZESC-CQSZACIVSA-N 1 2 365.434 1.043 20 5 FDBDLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000026900136 519145728 /nfs/dbraw/zinc/14/57/28/519145728.db2.gz ZLUZYCIDTIIQJQ-UHFFFAOYSA-N 1 2 361.402 1.047 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000026957269 519151151 /nfs/dbraw/zinc/15/11/51/519151151.db2.gz KKCNVGZMYPKDCY-AWEZNQCLSA-N 1 2 371.459 1.538 20 5 FDBDLO 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ZINC000610112956 554462703 /nfs/dbraw/zinc/46/27/03/554462703.db2.gz GOWKWMZJOMWNTJ-UHFFFAOYSA-N 1 2 352.310 1.527 20 5 FDBDLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610477011 554515645 /nfs/dbraw/zinc/51/56/45/554515645.db2.gz GRLQPNKXAAMGDQ-UHFFFAOYSA-N 1 2 352.410 1.768 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610916576 554580668 /nfs/dbraw/zinc/58/06/68/554580668.db2.gz LLSKMCAGCQEXCB-LBPRGKRZSA-N 1 2 351.407 1.378 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000610916576 554580670 /nfs/dbraw/zinc/58/06/70/554580670.db2.gz LLSKMCAGCQEXCB-LBPRGKRZSA-N 1 2 351.407 1.378 20 5 FDBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3cnccn3)CC1)OCCO2 ZINC000611255416 554619927 /nfs/dbraw/zinc/61/99/27/554619927.db2.gz XMSVVIFMDIUZSN-UHFFFAOYSA-N 1 2 357.370 1.478 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NCc1nnnn1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611560922 554646573 /nfs/dbraw/zinc/64/65/73/554646573.db2.gz LDMPOQGVEVTCRK-HNNXBMFYSA-N 1 2 354.374 1.529 20 5 FDBDLO COCC(=O)NC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000613286013 554909236 /nfs/dbraw/zinc/90/92/36/554909236.db2.gz SQOVJVLWIDYNSS-UHFFFAOYSA-N 1 2 355.366 1.470 20 5 FDBDLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000613475733 554929618 /nfs/dbraw/zinc/92/96/18/554929618.db2.gz ZLEUXKKLMSMDQR-NSHDSACASA-N 1 2 363.461 1.354 20 5 FDBDLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000613475733 554929620 /nfs/dbraw/zinc/92/96/20/554929620.db2.gz ZLEUXKKLMSMDQR-NSHDSACASA-N 1 2 363.461 1.354 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000619492144 555787894 /nfs/dbraw/zinc/78/78/94/555787894.db2.gz XFUUYAHFLKEEHB-UHFFFAOYSA-N 1 2 354.388 1.511 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000619496694 555789645 /nfs/dbraw/zinc/78/96/45/555789645.db2.gz CUEVDSYHCWBGOG-UHFFFAOYSA-N 1 2 355.416 1.534 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000619496694 555789647 /nfs/dbraw/zinc/78/96/47/555789647.db2.gz CUEVDSYHCWBGOG-UHFFFAOYSA-N 1 2 355.416 1.534 20 5 FDBDLO CC1(C)OCC(CO)([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000291179248 568069027 /nfs/dbraw/zinc/06/90/27/568069027.db2.gz OBPBIPSCOOZIIR-UHFFFAOYSA-N 1 2 373.793 1.290 20 5 FDBDLO Cc1sc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000468828450 568079670 /nfs/dbraw/zinc/07/96/70/568079670.db2.gz CUYSDDJKKMWSAW-JTQLQIEISA-N 1 2 363.461 1.042 20 5 FDBDLO Cc1sc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000468828450 568079671 /nfs/dbraw/zinc/07/96/71/568079671.db2.gz CUYSDDJKKMWSAW-JTQLQIEISA-N 1 2 363.461 1.042 20 5 FDBDLO O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)NCC[NH+]1CCCCCC1 ZINC000436707466 568438394 /nfs/dbraw/zinc/43/83/94/568438394.db2.gz RYUGLALXHYYXED-UHFFFAOYSA-N 1 2 364.402 1.022 20 5 FDBDLO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H](C)[NH+]1CCOCC1 ZINC000272226665 674423145 /nfs/dbraw/zinc/42/31/45/674423145.db2.gz HIQPWZHSJWDEKM-MNOVXSKESA-N 1 2 351.359 1.163 20 5 FDBDLO Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c[nH+]1 ZINC000737775795 598628583 /nfs/dbraw/zinc/62/85/83/598628583.db2.gz CLQVOQAXISORPX-UHFFFAOYSA-N 1 2 367.373 1.079 20 5 FDBDLO CCN1CC[NH+]([C@H](C)CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825458741 607451758 /nfs/dbraw/zinc/45/17/58/607451758.db2.gz FAHPVLQSVAFCTP-GFCCVEGCSA-N 1 2 360.422 1.213 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1SC ZINC000275157768 674611432 /nfs/dbraw/zinc/61/14/32/674611432.db2.gz WNRMLDDOYCEFEB-NSHDSACASA-N 1 2 369.443 1.464 20 5 FDBDLO O=[N+]([O-])c1cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cs1 ZINC000119468491 671675268 /nfs/dbraw/zinc/67/52/68/671675268.db2.gz SFWNVGZWJWTHJC-UHFFFAOYSA-N 1 2 356.429 1.710 20 5 FDBDLO CC(C)[C@H](CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000195526890 672408429 /nfs/dbraw/zinc/40/84/29/672408429.db2.gz HLZFAXNRGNCTIN-HNNXBMFYSA-N 1 2 357.357 1.960 20 5 FDBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000363597880 676964574 /nfs/dbraw/zinc/96/45/74/676964574.db2.gz SECPYOVJJLRHKU-STQMWFEESA-N 1 2 371.235 1.788 20 5 FDBDLO CCOc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000365191304 677354587 /nfs/dbraw/zinc/35/45/87/677354587.db2.gz KWIQDRSKWOVQML-ZDUSSCGKSA-N 1 2 357.432 1.507 20 5 FDBDLO CCOc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000365191304 677354589 /nfs/dbraw/zinc/35/45/89/677354589.db2.gz KWIQDRSKWOVQML-ZDUSSCGKSA-N 1 2 357.432 1.507 20 5 FDBDLO CCc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000365578523 677364680 /nfs/dbraw/zinc/36/46/80/677364680.db2.gz KOLFGXGYFXHHTH-CHWSQXEVSA-N 1 2 351.407 1.254 20 5 FDBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411834698 679080452 /nfs/dbraw/zinc/08/04/52/679080452.db2.gz PPXMRSXOMFIMMW-UHFFFAOYSA-N 1 2 357.407 1.734 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000416454919 679629965 /nfs/dbraw/zinc/62/99/65/679629965.db2.gz TYCJLYBQFHWISD-QWRGUYRKSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000416454919 679629966 /nfs/dbraw/zinc/62/99/66/679629966.db2.gz TYCJLYBQFHWISD-QWRGUYRKSA-N 1 2 371.415 1.095 20 5 FDBDLO Cc1ccc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000420978442 680583317 /nfs/dbraw/zinc/58/33/17/680583317.db2.gz XATNZNOAPSYFPN-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO Cc1ccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000420978442 680583321 /nfs/dbraw/zinc/58/33/21/680583321.db2.gz XATNZNOAPSYFPN-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCO1 ZINC000428056715 680993617 /nfs/dbraw/zinc/99/36/17/680993617.db2.gz BBBIUCHAVRTNNH-GFCCVEGCSA-N 1 2 351.359 1.164 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCO1 ZINC000428056715 680993619 /nfs/dbraw/zinc/99/36/19/680993619.db2.gz BBBIUCHAVRTNNH-GFCCVEGCSA-N 1 2 351.359 1.164 20 5 FDBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000428349730 680999663 /nfs/dbraw/zinc/99/96/63/680999663.db2.gz RPDHVMXUQXCVPG-LLVKDONJSA-N 1 2 362.411 1.621 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431973006 681141929 /nfs/dbraw/zinc/14/19/29/681141929.db2.gz XYXMAEFDTGSOEN-ZDUSSCGKSA-N 1 2 350.419 1.850 20 5 FDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431973006 681141933 /nfs/dbraw/zinc/14/19/33/681141933.db2.gz XYXMAEFDTGSOEN-ZDUSSCGKSA-N 1 2 350.419 1.850 20 5 FDBDLO C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434711803 681513691 /nfs/dbraw/zinc/51/36/91/681513691.db2.gz RTEFTLQURABTFT-GFCCVEGCSA-N 1 2 370.837 1.839 20 5 FDBDLO C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434711803 681513695 /nfs/dbraw/zinc/51/36/95/681513695.db2.gz RTEFTLQURABTFT-GFCCVEGCSA-N 1 2 370.837 1.839 20 5 FDBDLO Cn1c[nH+]c(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000457868363 683796516 /nfs/dbraw/zinc/79/65/16/683796516.db2.gz XHPDILNBGLITIU-UHFFFAOYSA-N 1 2 367.203 1.992 20 5 FDBDLO CNc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000462901927 684666411 /nfs/dbraw/zinc/66/64/11/684666411.db2.gz GWKYHQKMZIQNKU-OAHLLOKOSA-N 1 2 350.419 1.723 20 5 FDBDLO Cc1c(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000478602169 685913162 /nfs/dbraw/zinc/91/31/62/685913162.db2.gz OKXFWNIFEONUBX-KGLIPLIRSA-N 1 2 350.419 1.812 20 5 FDBDLO C[NH+](C)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000482411913 686405494 /nfs/dbraw/zinc/40/54/94/686405494.db2.gz YAKQGUBCNXDNQR-GFCCVEGCSA-N 1 2 350.400 1.237 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000484708385 686628130 /nfs/dbraw/zinc/62/81/30/686628130.db2.gz KFAZGBPOGZRXAA-VXGBXAGGSA-N 1 2 369.443 1.773 20 5 FDBDLO Cc1cc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000486029748 686823105 /nfs/dbraw/zinc/82/31/05/686823105.db2.gz NWLWMORSFABZNN-UHFFFAOYSA-N 1 2 364.383 1.027 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000491594757 687155856 /nfs/dbraw/zinc/15/58/56/687155856.db2.gz TTZASNVXHCHWRS-UHFFFAOYSA-N 1 2 370.362 1.528 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000491832719 687156622 /nfs/dbraw/zinc/15/66/22/687156622.db2.gz STFSBBLTRVSIKM-LBPRGKRZSA-N 1 2 350.400 1.701 20 5 FDBDLO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000510234263 689355663 /nfs/dbraw/zinc/35/56/63/689355663.db2.gz YHVUDPAVNZADEJ-UHFFFAOYSA-N 1 2 373.822 1.526 20 5 FDBDLO CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521931209 694451045 /nfs/dbraw/zinc/45/10/45/694451045.db2.gz VSIMWAPNOSNTTD-ZDUSSCGKSA-N 1 2 367.427 1.307 20 5 FDBDLO CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000521931209 694451050 /nfs/dbraw/zinc/45/10/50/694451050.db2.gz VSIMWAPNOSNTTD-ZDUSSCGKSA-N 1 2 367.427 1.307 20 5 FDBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001164916848 721814927 /nfs/dbraw/zinc/81/49/27/721814927.db2.gz IQSGZONOZJPDNT-UHFFFAOYSA-N 1 2 357.418 1.639 20 5 FDBDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164917885 721818253 /nfs/dbraw/zinc/81/82/53/721818253.db2.gz KOPUGVBZPKWCLC-UHFFFAOYSA-N 1 2 357.418 1.518 20 5 FDBDLO O=C(Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1)N1CCCC1 ZINC000277835506 783521857 /nfs/dbraw/zinc/52/18/57/783521857.db2.gz KNYBFCJKHWMVSC-UHFFFAOYSA-N 1 2 368.353 1.995 20 5 FDBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000135911915 785135246 /nfs/dbraw/zinc/13/52/46/785135246.db2.gz PLUVLIBQGSLKSX-AWEZNQCLSA-N 1 2 355.398 1.703 20 5 FDBDLO C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892597717 787568360 /nfs/dbraw/zinc/56/83/60/787568360.db2.gz VSJAOUULWOVZBJ-KGLIPLIRSA-N 1 2 350.419 1.718 20 5 FDBDLO C[C@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000892597717 787568367 /nfs/dbraw/zinc/56/83/67/787568367.db2.gz VSJAOUULWOVZBJ-KGLIPLIRSA-N 1 2 350.419 1.718 20 5 FDBDLO CC(C)[C@]1(C)NC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000782860205 788288912 /nfs/dbraw/zinc/28/89/12/788288912.db2.gz NUGZODGQTVWNBK-INIZCTEOSA-N 1 2 364.406 1.352 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000893563819 806399376 /nfs/dbraw/zinc/39/93/76/806399376.db2.gz KQALYQIOEQIGDG-ZDUSSCGKSA-N 1 2 360.414 1.604 20 5 FDBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000279318389 808916544 /nfs/dbraw/zinc/91/65/44/808916544.db2.gz OHYOLSLCGRVDGS-UHFFFAOYSA-N 1 2 365.386 1.506 20 5 FDBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000279318389 808916545 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C[C@H]1C[N@@H+](CCNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000806666923 940016128 /nfs/dbraw/zinc/01/61/28/940016128.db2.gz PZSKQKDQVHWOLU-AWEZNQCLSA-N 1 2 350.419 1.499 20 5 FDBDLO Cc1nn(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000811786566 941165318 /nfs/dbraw/zinc/16/53/18/941165318.db2.gz RLDROMQIYUIKGO-LLVKDONJSA-N 1 2 363.340 1.756 20 5 FDBDLO Cc1nn(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000811786566 941165320 /nfs/dbraw/zinc/16/53/20/941165320.db2.gz RLDROMQIYUIKGO-LLVKDONJSA-N 1 2 363.340 1.756 20 5 FDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000805470416 941293542 /nfs/dbraw/zinc/29/35/42/941293542.db2.gz PZOFQTUHSRUHTR-CYBMUJFWSA-N 1 2 362.342 1.409 20 5 FDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000805470416 941293545 /nfs/dbraw/zinc/29/35/45/941293545.db2.gz PZOFQTUHSRUHTR-CYBMUJFWSA-N 1 2 362.342 1.409 20 5 FDBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000805472863 941298746 /nfs/dbraw/zinc/29/87/46/941298746.db2.gz AHZGVFATIHFNCX-AWEZNQCLSA-N 1 2 352.343 1.225 20 5 FDBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000805472863 941298747 /nfs/dbraw/zinc/29/87/47/941298747.db2.gz AHZGVFATIHFNCX-AWEZNQCLSA-N 1 2 352.343 1.225 20 5 FDBDLO CN(C)C(=O)OC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815187860 941795850 /nfs/dbraw/zinc/79/58/50/941795850.db2.gz UFVDIOFLYKDYSS-UHFFFAOYSA-N 1 2 364.402 1.720 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000820501059 944055599 /nfs/dbraw/zinc/05/55/99/944055599.db2.gz FZVIDTGPYTZFSH-CYBMUJFWSA-N 1 2 363.414 1.921 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC001196961511 972012227 /nfs/dbraw/zinc/01/22/27/972012227.db2.gz LJUJBCNJPIQFLK-HNNXBMFYSA-N 1 2 352.366 1.377 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000102886237 972235165 /nfs/dbraw/zinc/23/51/65/972235165.db2.gz 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O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001183849816 963309732 /nfs/dbraw/zinc/30/97/32/963309732.db2.gz MYAZHYXIKLHWLI-LBPRGKRZSA-N 1 2 362.365 1.339 20 5 FDBDLO COC(=O)N(C)CC[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000852570172 967431286 /nfs/dbraw/zinc/43/12/86/967431286.db2.gz OTPIJXAEUXHUNH-UHFFFAOYSA-N 1 2 350.375 1.114 20 5 FDBDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000852570172 967431291 /nfs/dbraw/zinc/43/12/91/967431291.db2.gz OTPIJXAEUXHUNH-UHFFFAOYSA-N 1 2 350.375 1.114 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@H+](C)CCN(C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000852571379 967434594 /nfs/dbraw/zinc/43/45/94/967434594.db2.gz YTKISCHEZDRZDD-UHFFFAOYSA-N 1 2 368.390 1.562 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CCN(C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000852571379 967434599 /nfs/dbraw/zinc/43/45/99/967434599.db2.gz YTKISCHEZDRZDD-UHFFFAOYSA-N 1 2 368.390 1.562 20 5 FDBDLO CN(C(=O)C[NH+]1CCC(N2CCOC2=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000852722025 967552123 /nfs/dbraw/zinc/55/21/23/967552123.db2.gz OQUUKGGSDDUACI-UHFFFAOYSA-N 1 2 362.386 1.474 20 5 FDBDLO COC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000852767924 967593284 /nfs/dbraw/zinc/59/32/84/967593284.db2.gz KSOJGEHUEVUJFG-LLVKDONJSA-N 1 2 350.375 1.742 20 5 FDBDLO COC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000852768096 967593540 /nfs/dbraw/zinc/59/35/40/967593540.db2.gz NAFHXHQGPWMJCW-NSHDSACASA-N 1 2 350.375 1.742 20 5 FDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000853583630 968142052 /nfs/dbraw/zinc/14/20/52/968142052.db2.gz IHHICQXAJAMAKJ-OAHLLOKOSA-N 1 2 373.417 1.499 20 5 FDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000853583630 968142056 /nfs/dbraw/zinc/14/20/56/968142056.db2.gz IHHICQXAJAMAKJ-OAHLLOKOSA-N 1 2 373.417 1.499 20 5 FDBDLO Cc1nn(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853585522 968147030 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CCCCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000619530996 555795253 /nfs/dbraw/zinc/79/52/53/555795253.db2.gz JQDOAYDOVPJINR-UHFFFAOYSA-N 1 2 364.446 1.637 20 5 FDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000619778164 555832778 /nfs/dbraw/zinc/83/27/78/555832778.db2.gz NUHYXIUYRUXUJR-GFCCVEGCSA-N 1 2 350.766 1.013 20 5 FDBDLO Cc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+]2CCOCC2)c1 ZINC000481370982 567824141 /nfs/dbraw/zinc/82/41/41/567824141.db2.gz OHBNJCOZQTVKKF-MRXNPFEDSA-N 1 2 373.413 1.440 20 5 FDBDLO O=C1C[C@H]([N@@H+]2CC[C@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000290999850 567945412 /nfs/dbraw/zinc/94/54/12/567945412.db2.gz SSSDFNXKOHIMSJ-GJZGRUSLSA-N 1 2 355.354 1.370 20 5 FDBDLO O=C1C[C@H]([N@H+]2CC[C@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000290999850 567945413 /nfs/dbraw/zinc/94/54/13/567945413.db2.gz SSSDFNXKOHIMSJ-GJZGRUSLSA-N 1 2 355.354 1.370 20 5 FDBDLO 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XBQYAJYWLLQREN-LLVKDONJSA-N 1 2 363.399 1.328 20 5 FDBDLO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000275017417 181218399 /nfs/dbraw/zinc/21/83/99/181218399.db2.gz SRCHKRYURHUPNE-UHFFFAOYSA-N 1 2 354.326 1.286 20 5 FDBDLO O=c1cc2c(n[nH]1)CC[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000275017417 181218401 /nfs/dbraw/zinc/21/84/01/181218401.db2.gz SRCHKRYURHUPNE-UHFFFAOYSA-N 1 2 354.326 1.286 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000533287464 540225306 /nfs/dbraw/zinc/22/53/06/540225306.db2.gz BWIKERIHRSUCGH-CYBMUJFWSA-N 1 2 364.402 1.021 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000533287464 540225309 /nfs/dbraw/zinc/22/53/09/540225309.db2.gz BWIKERIHRSUCGH-CYBMUJFWSA-N 1 2 364.402 1.021 20 5 FDBDLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536000610 540536274 /nfs/dbraw/zinc/53/62/74/540536274.db2.gz DQEKGTGHBIPKLF-GXTWGEPZSA-N 1 2 360.414 1.065 20 5 FDBDLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536000610 540536278 /nfs/dbraw/zinc/53/62/78/540536278.db2.gz DQEKGTGHBIPKLF-GXTWGEPZSA-N 1 2 360.414 1.065 20 5 FDBDLO COCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000536181547 540563328 /nfs/dbraw/zinc/56/33/28/540563328.db2.gz ULZQWCUVFAGYQF-GFCCVEGCSA-N 1 2 367.402 1.404 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000540882770 541107578 /nfs/dbraw/zinc/10/75/78/541107578.db2.gz KHMZWWFAGGGDNI-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000540882770 541107583 /nfs/dbraw/zinc/10/75/83/541107583.db2.gz KHMZWWFAGGGDNI-NSHDSACASA-N 1 2 353.350 1.443 20 5 FDBDLO NC(=O)c1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000541957150 541307874 /nfs/dbraw/zinc/30/78/74/541307874.db2.gz AGZHOFIOORDHAK-ZDUSSCGKSA-N 1 2 351.309 1.795 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000283870679 182298960 /nfs/dbraw/zinc/29/89/60/182298960.db2.gz DMHCIIKVMGGDHK-GFCCVEGCSA-N 1 2 373.369 1.040 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000283870679 182298962 /nfs/dbraw/zinc/29/89/62/182298962.db2.gz DMHCIIKVMGGDHK-GFCCVEGCSA-N 1 2 373.369 1.040 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284061322 182352314 /nfs/dbraw/zinc/35/23/14/182352314.db2.gz LKNXLWCBJGWZPT-GJZGRUSLSA-N 1 2 351.428 1.618 20 5 FDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284061322 182352318 /nfs/dbraw/zinc/35/23/18/182352318.db2.gz LKNXLWCBJGWZPT-GJZGRUSLSA-N 1 2 351.428 1.618 20 5 FDBDLO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(OC)OC ZINC000284079374 182358118 /nfs/dbraw/zinc/35/81/18/182358118.db2.gz LIQBETIALHHKOH-UHFFFAOYSA-N 1 2 371.346 1.487 20 5 FDBDLO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(OC)OC ZINC000284079374 182358121 /nfs/dbraw/zinc/35/81/21/182358121.db2.gz LIQBETIALHHKOH-UHFFFAOYSA-N 1 2 371.346 1.487 20 5 FDBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000545918422 542050182 /nfs/dbraw/zinc/05/01/82/542050182.db2.gz WGBULJCIRBDQHP-UHFFFAOYSA-N 1 2 359.367 1.858 20 5 FDBDLO CN1CC[N@H+](C)C[C@H]1c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000546502315 542156574 /nfs/dbraw/zinc/15/65/74/542156574.db2.gz PMBGAICWAOPKSG-HNNXBMFYSA-N 1 2 356.386 1.899 20 5 FDBDLO CN1CC[N@@H+](C)C[C@H]1c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000546502315 542156581 /nfs/dbraw/zinc/15/65/81/542156581.db2.gz PMBGAICWAOPKSG-HNNXBMFYSA-N 1 2 356.386 1.899 20 5 FDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000286081514 182981927 /nfs/dbraw/zinc/98/19/27/182981927.db2.gz AGKDADZJPDNSNS-ZFWWWQNUSA-N 1 2 362.430 1.596 20 5 FDBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000286238473 183021686 /nfs/dbraw/zinc/02/16/86/183021686.db2.gz CHPHAXFGCQNRCK-UHFFFAOYSA-N 1 2 363.386 1.729 20 5 FDBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCN(S(C)(=O)=O)CC1 ZINC000286238473 183021688 /nfs/dbraw/zinc/02/16/88/183021688.db2.gz CHPHAXFGCQNRCK-UHFFFAOYSA-N 1 2 363.386 1.729 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)n1 ZINC000287338381 183267285 /nfs/dbraw/zinc/26/72/85/183267285.db2.gz OTFKRDNPFSJFOM-SNVBAGLBSA-N 1 2 365.415 1.390 20 5 FDBDLO CC(C)NS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295368819 184063221 /nfs/dbraw/zinc/06/32/21/184063221.db2.gz PDHDCWZPODPGPR-ZDUSSCGKSA-N 1 2 356.448 1.516 20 5 FDBDLO COc1cc(OCc2nc([C@@H]3C[N@H+](C)CCN3C)no2)ccc1[N+](=O)[O-] ZINC000547206234 542285844 /nfs/dbraw/zinc/28/58/44/542285844.db2.gz CEMBDWDRISZVSR-ZDUSSCGKSA-N 1 2 363.374 1.484 20 5 FDBDLO COc1cc(OCc2nc([C@@H]3C[N@@H+](C)CCN3C)no2)ccc1[N+](=O)[O-] ZINC000547206234 542285847 /nfs/dbraw/zinc/28/58/47/542285847.db2.gz CEMBDWDRISZVSR-ZDUSSCGKSA-N 1 2 363.374 1.484 20 5 FDBDLO CC[C@H](C)[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296298893 184150820 /nfs/dbraw/zinc/15/08/20/184150820.db2.gz ZOCDIHGWZKIRST-AWEZNQCLSA-N 1 2 355.460 1.785 20 5 FDBDLO CCC[C@H](O)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000296453084 184167646 /nfs/dbraw/zinc/16/76/46/184167646.db2.gz IUNXUELIOKFMTP-ZDUSSCGKSA-N 1 2 371.459 1.281 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296941925 184217448 /nfs/dbraw/zinc/21/74/48/184217448.db2.gz XMHAUKHQEHONMU-SMDDNHRTSA-N 1 2 350.375 1.694 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296941925 184217450 /nfs/dbraw/zinc/21/74/50/184217450.db2.gz XMHAUKHQEHONMU-SMDDNHRTSA-N 1 2 350.375 1.694 20 5 FDBDLO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000298117567 184395697 /nfs/dbraw/zinc/39/56/97/184395697.db2.gz MRGKBXCVBHFZOD-STQMWFEESA-N 1 2 364.402 1.067 20 5 FDBDLO Nc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000048245395 221002817 /nfs/dbraw/zinc/00/28/17/221002817.db2.gz BMEQMYFUFIDCJH-UHFFFAOYSA-N 1 2 359.361 1.669 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000171969249 258271266 /nfs/dbraw/zinc/27/12/66/258271266.db2.gz VYTKMJIBTZLUFU-GFCCVEGCSA-N 1 2 351.407 1.065 20 5 FDBDLO CCc1[nH]nc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000171969249 258271267 /nfs/dbraw/zinc/27/12/67/258271267.db2.gz VYTKMJIBTZLUFU-GFCCVEGCSA-N 1 2 351.407 1.065 20 5 FDBDLO COCCOC[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000173146823 258291838 /nfs/dbraw/zinc/29/18/38/258291838.db2.gz ODEUCTINWRXSSB-AWEZNQCLSA-N 1 2 374.397 1.906 20 5 FDBDLO CN(CC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173295510 258295399 /nfs/dbraw/zinc/29/53/99/258295399.db2.gz UAMPSVTYGVCECA-UHFFFAOYSA-N 1 2 369.425 1.770 20 5 FDBDLO Cc1c(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000550899297 543195618 /nfs/dbraw/zinc/19/56/18/543195618.db2.gz SZERSXDHCWKTKL-UHFFFAOYSA-N 1 2 371.397 1.533 20 5 FDBDLO CNc1nccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000552927749 543537757 /nfs/dbraw/zinc/53/77/57/543537757.db2.gz CKYWTVGLWKDLMI-UHFFFAOYSA-N 1 2 356.386 1.957 20 5 FDBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000068513797 172019855 /nfs/dbraw/zinc/01/98/55/172019855.db2.gz ZLWRBKNTWMTUMD-UHFFFAOYSA-N 1 2 371.397 1.647 20 5 FDBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000068975684 172024984 /nfs/dbraw/zinc/02/49/84/172024984.db2.gz YUSOIRJQBBEDTL-MRXNPFEDSA-N 1 2 369.418 1.672 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868468 172034276 /nfs/dbraw/zinc/03/42/76/172034276.db2.gz KCYITLRRXLXKTF-CQSZACIVSA-N 1 2 369.443 1.328 20 5 FDBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2ncccc2[N+](=O)[O-])CC1 ZINC000078445560 172147759 /nfs/dbraw/zinc/14/77/59/172147759.db2.gz DQARWUHEARRICM-UHFFFAOYSA-N 1 2 356.386 1.699 20 5 FDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000088594459 172235104 /nfs/dbraw/zinc/23/51/04/172235104.db2.gz GCHKWIANOAHGOJ-ZDUSSCGKSA-N 1 2 352.460 1.785 20 5 FDBDLO C[C@H](O)C(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093706291 172319747 /nfs/dbraw/zinc/31/97/47/172319747.db2.gz IQMITXIEAHIARC-ZDUSSCGKSA-N 1 2 373.413 1.020 20 5 FDBDLO C[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000125726409 173016417 /nfs/dbraw/zinc/01/64/17/173016417.db2.gz QIKHQRSWAPBWQI-BBRMVZONSA-N 1 2 371.397 1.631 20 5 FDBDLO COc1ccc(OCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000173460877 258300401 /nfs/dbraw/zinc/30/04/01/258300401.db2.gz LZZYGXKSVGZWNF-UHFFFAOYSA-N 1 2 359.386 1.594 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCCCCCO)CC2)c1 ZINC000175739814 174024472 /nfs/dbraw/zinc/02/44/72/174024472.db2.gz CFNARKGGMHWQSE-UHFFFAOYSA-N 1 2 371.459 1.454 20 5 FDBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176203323 174057964 /nfs/dbraw/zinc/05/79/64/174057964.db2.gz BRJFQGFDDVJRLE-LBPRGKRZSA-N 1 2 352.416 1.888 20 5 FDBDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176203323 174057966 /nfs/dbraw/zinc/05/79/66/174057966.db2.gz BRJFQGFDDVJRLE-LBPRGKRZSA-N 1 2 352.416 1.888 20 5 FDBDLO CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000176791451 174088011 /nfs/dbraw/zinc/08/80/11/174088011.db2.gz CSAWUOHTHYXNEZ-LLVKDONJSA-N 1 2 356.346 1.565 20 5 FDBDLO CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181571792 174233679 /nfs/dbraw/zinc/23/36/79/174233679.db2.gz JPJQLFROMOGEKC-CQSZACIVSA-N 1 2 358.354 1.948 20 5 FDBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179945395 258359655 /nfs/dbraw/zinc/35/96/55/258359655.db2.gz MSPCLTMBXZVJNN-LLVKDONJSA-N 1 2 373.356 1.958 20 5 FDBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179945395 258359656 /nfs/dbraw/zinc/35/96/56/258359656.db2.gz MSPCLTMBXZVJNN-LLVKDONJSA-N 1 2 373.356 1.958 20 5 FDBDLO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1 ZINC000180135675 258362982 /nfs/dbraw/zinc/36/29/82/258362982.db2.gz WIBBOEVJTFFHDF-CHWSQXEVSA-N 1 2 351.403 1.920 20 5 FDBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000180260468 258365209 /nfs/dbraw/zinc/36/52/09/258365209.db2.gz GGBVKOBHIBHAND-AWEZNQCLSA-N 1 2 364.471 1.825 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000180381029 258367904 /nfs/dbraw/zinc/36/79/04/258367904.db2.gz XWRSXAHCDSUBRM-JTQLQIEISA-N 1 2 355.416 1.674 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000180381029 258367905 /nfs/dbraw/zinc/36/79/05/258367905.db2.gz XWRSXAHCDSUBRM-JTQLQIEISA-N 1 2 355.416 1.674 20 5 FDBDLO C[C@@H](c1nccs1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000184623287 258382775 /nfs/dbraw/zinc/38/27/75/258382775.db2.gz KPQCWEIYGSZMJS-ZDUSSCGKSA-N 1 2 363.443 1.592 20 5 FDBDLO COCc1noc(CN2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000188799430 258386158 /nfs/dbraw/zinc/38/61/58/258386158.db2.gz JJLCUJZMWJUVIG-UHFFFAOYSA-N 1 2 361.402 1.750 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000189980299 258388193 /nfs/dbraw/zinc/38/81/93/258388193.db2.gz FPDDLTDAQYCODZ-CQSZACIVSA-N 1 2 369.443 1.353 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000189980299 258388194 /nfs/dbraw/zinc/38/81/94/258388194.db2.gz FPDDLTDAQYCODZ-CQSZACIVSA-N 1 2 369.443 1.353 20 5 FDBDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000193213888 258393473 /nfs/dbraw/zinc/39/34/73/258393473.db2.gz IPEGJAWXJKGNCW-CHWSQXEVSA-N 1 2 357.432 1.372 20 5 FDBDLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555418341 543954075 /nfs/dbraw/zinc/95/40/75/543954075.db2.gz OFAAERWQEBNOSC-SNVBAGLBSA-N 1 2 353.322 1.476 20 5 FDBDLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555418341 543954077 /nfs/dbraw/zinc/95/40/77/543954077.db2.gz OFAAERWQEBNOSC-SNVBAGLBSA-N 1 2 353.322 1.476 20 5 FDBDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000556946889 544224296 /nfs/dbraw/zinc/22/42/96/544224296.db2.gz GFXMFGNOUFFPLH-BXUZGUMPSA-N 1 2 351.313 1.771 20 5 FDBDLO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000556946889 544224298 /nfs/dbraw/zinc/22/42/98/544224298.db2.gz GFXMFGNOUFFPLH-BXUZGUMPSA-N 1 2 351.313 1.771 20 5 FDBDLO COc1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000299685633 259016222 /nfs/dbraw/zinc/01/62/22/259016222.db2.gz KKCUDCAQJYSHPX-UHFFFAOYSA-N 1 2 372.381 1.765 20 5 FDBDLO CCNC(=O)C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301643746 259031195 /nfs/dbraw/zinc/03/11/95/259031195.db2.gz CEIJBVWSHOARNF-UHFFFAOYSA-N 1 2 371.235 1.615 20 5 FDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000330573646 259151154 /nfs/dbraw/zinc/15/11/54/259151154.db2.gz ZIRJPPFDVCNUMF-VXGBXAGGSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000330573646 259151155 /nfs/dbraw/zinc/15/11/55/259151155.db2.gz ZIRJPPFDVCNUMF-VXGBXAGGSA-N 1 2 357.432 1.707 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000332451931 259267634 /nfs/dbraw/zinc/26/76/34/259267634.db2.gz MHYVHOXTQIRTPG-VPWOIZHCSA-N 1 2 362.411 1.762 20 5 FDBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])CCC2 ZINC000366685892 259959413 /nfs/dbraw/zinc/95/94/13/259959413.db2.gz HYHKWPQVRVQNSH-CQSZACIVSA-N 1 2 372.381 1.985 20 5 FDBDLO O=C1[C@H]([N@@H+]2CCO[C@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367231893 260013297 /nfs/dbraw/zinc/01/32/97/260013297.db2.gz RGQOQRUBGPTYPY-SJLPKXTDSA-N 1 2 361.398 1.582 20 5 FDBDLO O=C1[C@H]([N@H+]2CCO[C@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367231893 260013298 /nfs/dbraw/zinc/01/32/98/260013298.db2.gz RGQOQRUBGPTYPY-SJLPKXTDSA-N 1 2 361.398 1.582 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000367241184 260014444 /nfs/dbraw/zinc/01/44/44/260014444.db2.gz PWBUKUMEARIXJG-GOSISDBHSA-N 1 2 374.441 1.354 20 5 FDBDLO CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000367630432 260070776 /nfs/dbraw/zinc/07/07/76/260070776.db2.gz CAISACWLBLNXKM-HIFRSBDPSA-N 1 2 363.414 1.929 20 5 FDBDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000367794219 260092828 /nfs/dbraw/zinc/09/28/28/260092828.db2.gz SQQMBSLWHCQGEM-UHFFFAOYSA-N 1 2 356.791 1.958 20 5 FDBDLO CNS(=O)(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000368541895 260199244 /nfs/dbraw/zinc/19/92/44/260199244.db2.gz BQVYJJFWVVBUOH-UHFFFAOYSA-N 1 2 354.388 1.250 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](n2cncn2)C1 ZINC000368862355 260250809 /nfs/dbraw/zinc/25/08/09/260250809.db2.gz GMVYTPSFEBINRK-ZDUSSCGKSA-N 1 2 353.342 1.459 20 5 FDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000368976809 260271496 /nfs/dbraw/zinc/27/14/96/260271496.db2.gz YYYMECBLCBDVGV-OSQNNJELSA-N 1 2 366.805 1.773 20 5 FDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000368976809 260271498 /nfs/dbraw/zinc/27/14/98/260271498.db2.gz YYYMECBLCBDVGV-OSQNNJELSA-N 1 2 366.805 1.773 20 5 FDBDLO O=C1NC[C@]2(CCC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)O1 ZINC000369034630 260281311 /nfs/dbraw/zinc/28/13/11/260281311.db2.gz HFLKKWOZKBJWOC-INIZCTEOSA-N 1 2 359.342 1.719 20 5 FDBDLO O=C1NC[C@]2(CCC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)O1 ZINC000369034630 260281313 /nfs/dbraw/zinc/28/13/13/260281313.db2.gz HFLKKWOZKBJWOC-INIZCTEOSA-N 1 2 359.342 1.719 20 5 FDBDLO Cc1cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000369357727 260348023 /nfs/dbraw/zinc/34/80/23/260348023.db2.gz HRLJMRFEPHJEDK-UHFFFAOYSA-N 1 2 364.427 1.957 20 5 FDBDLO O=C(C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000369464780 260371855 /nfs/dbraw/zinc/37/18/55/260371855.db2.gz GFKIKDOZKMERNK-GXTWGEPZSA-N 1 2 363.370 1.905 20 5 FDBDLO O=C(C[N@H+]1CCCO[C@@H]2CCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000369464780 260371856 /nfs/dbraw/zinc/37/18/56/260371856.db2.gz GFKIKDOZKMERNK-GXTWGEPZSA-N 1 2 363.370 1.905 20 5 FDBDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000373580148 261022022 /nfs/dbraw/zinc/02/20/22/261022022.db2.gz BDVLZZAPIJJMHY-HZSPNIEDSA-N 1 2 351.407 1.064 20 5 FDBDLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C[C@H](C)O1 ZINC000373580148 261022023 /nfs/dbraw/zinc/02/20/23/261022023.db2.gz BDVLZZAPIJJMHY-HZSPNIEDSA-N 1 2 351.407 1.064 20 5 FDBDLO O=C1CO[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]2N1 ZINC000373978162 261060976 /nfs/dbraw/zinc/06/09/76/261060976.db2.gz QHRSFJMFQWAZDC-DGCLKSJQSA-N 1 2 357.313 1.286 20 5 FDBDLO O=C1CO[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]2N1 ZINC000373978162 261060977 /nfs/dbraw/zinc/06/09/77/261060977.db2.gz QHRSFJMFQWAZDC-DGCLKSJQSA-N 1 2 357.313 1.286 20 5 FDBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374383288 261121920 /nfs/dbraw/zinc/12/19/20/261121920.db2.gz DQBJAEGKWRDKBT-CQSZACIVSA-N 1 2 360.345 1.069 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc3nsnc3c([N+](=O)[O-])c1)C2 ZINC000378414999 262021182 /nfs/dbraw/zinc/02/11/82/262021182.db2.gz LMIHDALDMSRDKK-SNVBAGLBSA-N 1 2 358.383 1.849 20 5 FDBDLO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000525231315 490587276 /nfs/dbraw/zinc/58/72/76/490587276.db2.gz OWLUMVJDEIUOTD-UHFFFAOYSA-N 1 2 374.401 1.445 20 5 FDBDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517560981 490912224 /nfs/dbraw/zinc/91/22/24/490912224.db2.gz DPRQNKMGKWAONB-UHFFFAOYSA-N 1 2 363.349 1.515 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000610247179 492237667 /nfs/dbraw/zinc/23/76/67/492237667.db2.gz UXSMLFGWFPIIRE-UHFFFAOYSA-N 1 2 367.365 1.533 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000015311153 518717420 /nfs/dbraw/zinc/71/74/20/518717420.db2.gz WBKDMIUTTGINAE-UHFFFAOYSA-N 1 2 362.430 1.343 20 5 FDBDLO O=c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc2sccn21 ZINC000026483711 519124580 /nfs/dbraw/zinc/12/45/80/519124580.db2.gz OEIDUUXJEUFGEI-UHFFFAOYSA-N 1 2 372.410 1.381 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000028483761 519239010 /nfs/dbraw/zinc/23/90/10/519239010.db2.gz ZKKSXOAVKWMLHM-CYBMUJFWSA-N 1 2 365.415 1.043 20 5 FDBDLO CNc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000030311959 519360316 /nfs/dbraw/zinc/36/03/16/519360316.db2.gz RYMFLTMMJPWTBZ-UHFFFAOYSA-N 1 2 371.397 1.798 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000032438039 519506071 /nfs/dbraw/zinc/50/60/71/519506071.db2.gz JSNAHZQEOCVGOT-UHFFFAOYSA-N 1 2 350.400 1.843 20 5 FDBDLO CN(C)c1[nH+]cccc1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032688202 519524981 /nfs/dbraw/zinc/52/49/81/519524981.db2.gz KFHIPESKFHOYQH-UHFFFAOYSA-N 1 2 357.370 1.102 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000038291518 519633636 /nfs/dbraw/zinc/63/36/36/519633636.db2.gz SMTSMUWYRDNTEJ-AWEZNQCLSA-N 1 2 369.443 1.470 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044535758 521964073 /nfs/dbraw/zinc/96/40/73/521964073.db2.gz ARJMKAJFFYVHHS-CYBMUJFWSA-N 1 2 359.386 1.231 20 5 FDBDLO COCCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000071119935 522106120 /nfs/dbraw/zinc/10/61/20/522106120.db2.gz CXEHJKYILUFRRB-HNNXBMFYSA-N 1 2 372.443 1.629 20 5 FDBDLO COCCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000071119935 522106125 /nfs/dbraw/zinc/10/61/25/522106125.db2.gz CXEHJKYILUFRRB-HNNXBMFYSA-N 1 2 372.443 1.629 20 5 FDBDLO CNS(=O)(=O)c1ccc(NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000046484173 522308086 /nfs/dbraw/zinc/30/80/86/522308086.db2.gz UDFGMFIRENAJDB-UHFFFAOYSA-N 1 2 365.415 1.576 20 5 FDBDLO C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000073579446 522550456 /nfs/dbraw/zinc/55/04/56/522550456.db2.gz APVCBKBZQDSXDH-CYBMUJFWSA-N 1 2 357.370 1.501 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000075719933 522963547 /nfs/dbraw/zinc/96/35/47/522963547.db2.gz UUQSUBSXDQZNGX-QGZVFWFLSA-N 1 2 356.386 1.578 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000075719933 522963558 /nfs/dbraw/zinc/96/35/58/522963558.db2.gz UUQSUBSXDQZNGX-QGZVFWFLSA-N 1 2 356.386 1.578 20 5 FDBDLO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCOCC1 ZINC000066272205 523003590 /nfs/dbraw/zinc/00/35/90/523003590.db2.gz OVSDYSRHUAZAFC-UHFFFAOYSA-N 1 2 365.386 1.207 20 5 FDBDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066863960 523232673 /nfs/dbraw/zinc/23/26/73/523232673.db2.gz TXHVWNZPWCOSGI-UHFFFAOYSA-N 1 2 357.432 1.326 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000067812976 523593747 /nfs/dbraw/zinc/59/37/47/523593747.db2.gz VMIWPWRJUYOUAD-INIZCTEOSA-N 1 2 373.413 1.117 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000067812976 523593755 /nfs/dbraw/zinc/59/37/55/523593755.db2.gz VMIWPWRJUYOUAD-INIZCTEOSA-N 1 2 373.413 1.117 20 5 FDBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH+](CCO)CC1 ZINC000078541908 523601436 /nfs/dbraw/zinc/60/14/36/523601436.db2.gz IABUHRYMLXOFEU-UHFFFAOYSA-N 1 2 365.433 1.291 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000068574878 523826395 /nfs/dbraw/zinc/82/63/95/523826395.db2.gz JOPQTQHHAZQZKD-UHFFFAOYSA-N 1 2 358.402 1.229 20 5 FDBDLO Cc1cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000080597420 523892244 /nfs/dbraw/zinc/89/22/44/523892244.db2.gz WTBIXOADEAYSEK-KRWDZBQOSA-N 1 2 355.398 1.647 20 5 FDBDLO Cc1ncc(C[NH+]2CCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)CC2)s1 ZINC000110939623 524165591 /nfs/dbraw/zinc/16/55/91/524165591.db2.gz JUJAIQQXZHJTSB-UHFFFAOYSA-N 1 2 364.431 1.209 20 5 FDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110959458 524175244 /nfs/dbraw/zinc/17/52/44/524175244.db2.gz IZPYVHBDUQQFAL-AWEZNQCLSA-N 1 2 373.413 1.798 20 5 FDBDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157712607 524323182 /nfs/dbraw/zinc/32/31/82/524323182.db2.gz SJGIUTJTMBWCTN-UHFFFAOYSA-N 1 2 356.810 1.891 20 5 FDBDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000157712607 524323185 /nfs/dbraw/zinc/32/31/85/524323185.db2.gz SJGIUTJTMBWCTN-UHFFFAOYSA-N 1 2 356.810 1.891 20 5 FDBDLO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157841897 524348943 /nfs/dbraw/zinc/34/89/43/524348943.db2.gz MBBXEYSJYWKWIA-HNNXBMFYSA-N 1 2 362.430 1.543 20 5 FDBDLO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157841897 524348949 /nfs/dbraw/zinc/34/89/49/524348949.db2.gz MBBXEYSJYWKWIA-HNNXBMFYSA-N 1 2 362.430 1.543 20 5 FDBDLO COCC[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000122460657 524542483 /nfs/dbraw/zinc/54/24/83/524542483.db2.gz BDIWYJCXWKFMFM-GFCCVEGCSA-N 1 2 357.432 1.155 20 5 FDBDLO COCC[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000122460657 524542491 /nfs/dbraw/zinc/54/24/91/524542491.db2.gz BDIWYJCXWKFMFM-GFCCVEGCSA-N 1 2 357.432 1.155 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(F)c1 ZINC000122547174 524559510 /nfs/dbraw/zinc/55/95/10/524559510.db2.gz SOOKYDPNFNIHAM-OLZOCXBDSA-N 1 2 373.406 1.266 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c(F)c1 ZINC000122547174 524559519 /nfs/dbraw/zinc/55/95/19/524559519.db2.gz SOOKYDPNFNIHAM-OLZOCXBDSA-N 1 2 373.406 1.266 20 5 FDBDLO CCOc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174473768 524591476 /nfs/dbraw/zinc/59/14/76/524591476.db2.gz XVEKTRSXFGXQQN-HNNXBMFYSA-N 1 2 363.414 1.930 20 5 FDBDLO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000159490083 524683525 /nfs/dbraw/zinc/68/35/25/524683525.db2.gz XCEBXAYRFLMGGH-HOCLYGCPSA-N 1 2 363.414 1.798 20 5 FDBDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000159773404 524735969 /nfs/dbraw/zinc/73/59/69/524735969.db2.gz RWAKUFFVPWXVQN-HNNXBMFYSA-N 1 2 351.428 1.766 20 5 FDBDLO CCC[C@@H]1C(=O)NCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000152601730 524939906 /nfs/dbraw/zinc/93/99/06/524939906.db2.gz BYHFDYMUIRJSPG-CYBMUJFWSA-N 1 2 362.386 1.493 20 5 FDBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000152601730 524939915 /nfs/dbraw/zinc/93/99/15/524939915.db2.gz BYHFDYMUIRJSPG-CYBMUJFWSA-N 1 2 362.386 1.493 20 5 FDBDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000152638607 524955022 /nfs/dbraw/zinc/95/50/22/524955022.db2.gz ODKPFDHHPORUPB-CQSZACIVSA-N 1 2 351.403 1.953 20 5 FDBDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000152638607 524955031 /nfs/dbraw/zinc/95/50/31/524955031.db2.gz ODKPFDHHPORUPB-CQSZACIVSA-N 1 2 351.403 1.953 20 5 FDBDLO Cc1nn(C)c(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000115411599 524988123 /nfs/dbraw/zinc/98/81/23/524988123.db2.gz CMYBZZUTKSLJSQ-LBPRGKRZSA-N 1 2 367.356 1.948 20 5 FDBDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093706611 524997486 /nfs/dbraw/zinc/99/74/86/524997486.db2.gz TVXRBVFFQDTFJV-CYBMUJFWSA-N 1 2 359.382 1.880 20 5 FDBDLO C[C@H](O)C(=O)N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000152785109 525005312 /nfs/dbraw/zinc/00/53/12/525005312.db2.gz REAOFFXCQIWUKO-AWEZNQCLSA-N 1 2 366.417 1.971 20 5 FDBDLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153114351 525109076 /nfs/dbraw/zinc/10/90/76/525109076.db2.gz OUUJLCXOMOFHDB-VIFPVBQESA-N 1 2 374.319 1.730 20 5 FDBDLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153114351 525109084 /nfs/dbraw/zinc/10/90/84/525109084.db2.gz OUUJLCXOMOFHDB-VIFPVBQESA-N 1 2 374.319 1.730 20 5 FDBDLO CN1CC[C@H]([NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O ZINC000116270048 525124094 /nfs/dbraw/zinc/12/40/94/525124094.db2.gz NKSJOPOSWLEQEL-ZDUSSCGKSA-N 1 2 372.347 1.966 20 5 FDBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCCCNc1cccc[nH+]1 ZINC000161911930 525186987 /nfs/dbraw/zinc/18/69/87/525186987.db2.gz KRDZYMJHVJZRLI-UHFFFAOYSA-N 1 2 365.415 1.941 20 5 FDBDLO Cc1nn(C)c(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1[N+](=O)[O-] ZINC000098102818 525205310 /nfs/dbraw/zinc/20/53/10/525205310.db2.gz MPCWSUVTNYOCIH-UHFFFAOYSA-N 1 2 372.429 1.636 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000126089869 525271278 /nfs/dbraw/zinc/27/12/78/525271278.db2.gz RHESBNPJRQAOGS-UHFFFAOYSA-N 1 2 357.370 1.068 20 5 FDBDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000153721916 525299431 /nfs/dbraw/zinc/29/94/31/525299431.db2.gz GBSFERITVZHJKL-OAHLLOKOSA-N 1 2 369.443 1.411 20 5 FDBDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000153721916 525299434 /nfs/dbraw/zinc/29/94/34/525299434.db2.gz GBSFERITVZHJKL-OAHLLOKOSA-N 1 2 369.443 1.411 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000117369795 525329379 /nfs/dbraw/zinc/32/93/79/525329379.db2.gz WWZRKAZERSHODL-NSHDSACASA-N 1 2 361.395 1.075 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000117369795 525329382 /nfs/dbraw/zinc/32/93/82/525329382.db2.gz WWZRKAZERSHODL-NSHDSACASA-N 1 2 361.395 1.075 20 5 FDBDLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104076112 525391822 /nfs/dbraw/zinc/39/18/22/525391822.db2.gz BEUMUXDKELYQIX-VHSXEESVSA-N 1 2 354.794 1.773 20 5 FDBDLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000104076112 525391830 /nfs/dbraw/zinc/39/18/30/525391830.db2.gz BEUMUXDKELYQIX-VHSXEESVSA-N 1 2 354.794 1.773 20 5 FDBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127467551 525425667 /nfs/dbraw/zinc/42/56/67/525425667.db2.gz BUPNGMLBKZBTES-UHFFFAOYSA-N 1 2 351.384 1.973 20 5 FDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000178938904 525508500 /nfs/dbraw/zinc/50/85/00/525508500.db2.gz BQVCRQYLYRXWLK-UHFFFAOYSA-N 1 2 374.422 1.947 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000106030627 525549592 /nfs/dbraw/zinc/54/95/92/525549592.db2.gz ZJNYJTYMNHSNTF-UHFFFAOYSA-N 1 2 369.385 1.163 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000106031082 525551409 /nfs/dbraw/zinc/55/14/09/525551409.db2.gz KIKKJQGCFWMCAQ-UHFFFAOYSA-N 1 2 372.429 1.475 20 5 FDBDLO Cc1c(CC(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000119140408 525650026 /nfs/dbraw/zinc/65/00/26/525650026.db2.gz PCIYRFZILMURJZ-UHFFFAOYSA-N 1 2 361.402 1.942 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000170645138 525654404 /nfs/dbraw/zinc/65/44/04/525654404.db2.gz INPZYGLXSPTSJH-SFHVURJKSA-N 1 2 356.382 1.832 20 5 FDBDLO C[C@@]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)(C(N)=O)c1ccccc1 ZINC000170645119 525654849 /nfs/dbraw/zinc/65/48/49/525654849.db2.gz DRIAFKJENIBYGG-SFHVURJKSA-N 1 2 357.366 1.952 20 5 FDBDLO CC(C)C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000180617730 525729670 /nfs/dbraw/zinc/72/96/70/525729670.db2.gz VTCOEKYCNDZJEP-CYBMUJFWSA-N 1 2 350.419 1.654 20 5 FDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156007224 526034808 /nfs/dbraw/zinc/03/48/08/526034808.db2.gz ADWKNFIMEOHQLV-MRXNPFEDSA-N 1 2 363.395 1.973 20 5 FDBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000120502057 526089588 /nfs/dbraw/zinc/08/95/88/526089588.db2.gz OKNCSMWHBTULDG-UHFFFAOYSA-N 1 2 371.459 1.554 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000182299346 526128001 /nfs/dbraw/zinc/12/80/01/526128001.db2.gz ZOZRGJCXYCOHAZ-LLVKDONJSA-N 1 2 369.805 1.958 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000182299346 526128005 /nfs/dbraw/zinc/12/80/05/526128005.db2.gz ZOZRGJCXYCOHAZ-LLVKDONJSA-N 1 2 369.805 1.958 20 5 FDBDLO COc1cccc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185550707 536211890 /nfs/dbraw/zinc/21/18/90/536211890.db2.gz QOPMQKDYBZBHKT-CQSZACIVSA-N 1 2 362.430 1.736 20 5 FDBDLO Cc1cc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000186729236 536242534 /nfs/dbraw/zinc/24/25/34/536242534.db2.gz BDTQRGBVOYXEGQ-UHFFFAOYSA-N 1 2 369.393 1.648 20 5 FDBDLO COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187672509 536271144 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ZINC000608924241 554328912 /nfs/dbraw/zinc/32/89/12/554328912.db2.gz HRRIXWHNTXTJKB-UHFFFAOYSA-N 1 2 374.445 1.505 20 5 FDBDLO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000609190814 554347759 /nfs/dbraw/zinc/34/77/59/554347759.db2.gz GEYATHDULDVCEA-ZIAGYGMSSA-N 1 2 373.413 1.620 20 5 FDBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000609526947 554387256 /nfs/dbraw/zinc/38/72/56/554387256.db2.gz FMOOFGMGEVVPAQ-UHFFFAOYSA-N 1 2 365.386 1.160 20 5 FDBDLO CC(C)Cn1cc[nH+]c1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610200214 554472858 /nfs/dbraw/zinc/47/28/58/554472858.db2.gz QCWCHIDGQLJPFZ-UHFFFAOYSA-N 1 2 373.413 1.884 20 5 FDBDLO Cn1cc[nH+]c1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610304712 554489837 /nfs/dbraw/zinc/48/98/37/554489837.db2.gz YLRGCSOIMXSHQO-HNNXBMFYSA-N 1 2 354.370 1.625 20 5 FDBDLO CC(C)(CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000610512372 554520702 /nfs/dbraw/zinc/52/07/02/554520702.db2.gz 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CN(C)c1c[nH+]ccc1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000614305087 555036236 /nfs/dbraw/zinc/03/62/36/555036236.db2.gz YBYILGSLUDEVHC-UHFFFAOYSA-N 1 2 364.383 1.134 20 5 FDBDLO COCC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000615699734 555230457 /nfs/dbraw/zinc/23/04/57/555230457.db2.gz WXWXCUTXPSTIMR-LBPRGKRZSA-N 1 2 357.432 1.521 20 5 FDBDLO COCC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000615699734 555230458 /nfs/dbraw/zinc/23/04/58/555230458.db2.gz WXWXCUTXPSTIMR-LBPRGKRZSA-N 1 2 357.432 1.521 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1nnc2n1CCOC2 ZINC000619156854 555731871 /nfs/dbraw/zinc/73/18/71/555731871.db2.gz CYEMMGUOGNOMOS-UHFFFAOYSA-N 1 2 374.401 1.161 20 5 FDBDLO COc1c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000619435928 555776026 /nfs/dbraw/zinc/77/60/26/555776026.db2.gz PDAKKIDNZVSBMK-AWEZNQCLSA-N 1 2 363.414 1.930 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000619874101 555847428 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CC[N@H+](CC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289473582 676141600 /nfs/dbraw/zinc/14/16/00/676141600.db2.gz HOJPZVGPGGASMD-UHFFFAOYSA-N 1 2 363.155 1.507 20 5 FDBDLO CC[N@@H+](CC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289473582 676141601 /nfs/dbraw/zinc/14/16/01/676141601.db2.gz HOJPZVGPGGASMD-UHFFFAOYSA-N 1 2 363.155 1.507 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000279290428 675270354 /nfs/dbraw/zinc/27/03/54/675270354.db2.gz LLOUZKAXVLIZKW-GFCCVEGCSA-N 1 2 355.366 1.292 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280235981 675396795 /nfs/dbraw/zinc/39/67/95/675396795.db2.gz RRLDHVWUWNSKHF-SNVBAGLBSA-N 1 2 359.785 1.767 20 5 FDBDLO Cc1cc(OCC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000281236951 675503201 /nfs/dbraw/zinc/50/32/01/675503201.db2.gz DFINQOYEPRTZAD-ZIAGYGMSSA-N 1 2 351.403 1.507 20 5 FDBDLO CO[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000281698629 675546993 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364.383 1.295 20 5 FDBDLO Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000371994201 677825347 /nfs/dbraw/zinc/82/53/47/677825347.db2.gz JMJXEMGSRGNUTG-CHWSQXEVSA-N 1 2 351.407 1.010 20 5 FDBDLO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000376690913 678360821 /nfs/dbraw/zinc/36/08/21/678360821.db2.gz RFVOHRBOXLAYHS-UHFFFAOYSA-N 1 2 353.444 1.903 20 5 FDBDLO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000376690913 678360823 /nfs/dbraw/zinc/36/08/23/678360823.db2.gz RFVOHRBOXLAYHS-UHFFFAOYSA-N 1 2 353.444 1.903 20 5 FDBDLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000412060952 679148621 /nfs/dbraw/zinc/14/86/21/679148621.db2.gz AABQKEZHRZNITI-GFCCVEGCSA-N 1 2 367.427 1.680 20 5 FDBDLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000412060952 679148623 /nfs/dbraw/zinc/14/86/23/679148623.db2.gz AABQKEZHRZNITI-GFCCVEGCSA-N 1 2 367.427 1.680 20 5 FDBDLO Cc1cc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000414455856 679352545 /nfs/dbraw/zinc/35/25/45/679352545.db2.gz SXKBZYNEMRQHNG-UHFFFAOYSA-N 1 2 367.431 1.771 20 5 FDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000416442182 679622443 /nfs/dbraw/zinc/62/24/43/679622443.db2.gz FOKAQIUBAOEYHR-UHFFFAOYSA-N 1 2 353.322 1.598 20 5 FDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420436612 680450199 /nfs/dbraw/zinc/45/01/99/680450199.db2.gz BDBJNPIMTAWOTB-LBPRGKRZSA-N 1 2 363.386 1.302 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000431891211 681138488 /nfs/dbraw/zinc/13/84/88/681138488.db2.gz JOACDSMFXFYVLS-UHFFFAOYSA-N 1 2 366.399 1.890 20 5 FDBDLO COc1ccc(OCC[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000440297436 681984854 /nfs/dbraw/zinc/98/48/54/681984854.db2.gz NTSBKPCKVIHIPV-ZDUSSCGKSA-N 1 2 370.427 1.634 20 5 FDBDLO COc1ccc(OCC[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000440297436 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ZINC000552458495 543470062 /nfs/dbraw/zinc/47/00/62/543470062.db2.gz HTVZRYCUZLFGRX-CYBMUJFWSA-N 1 2 363.414 1.772 20 5 FDBDLO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)cc1[N+](=O)[O-] ZINC000552458495 543470064 /nfs/dbraw/zinc/47/00/64/543470064.db2.gz HTVZRYCUZLFGRX-CYBMUJFWSA-N 1 2 363.414 1.772 20 5 FDBDLO Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)C2=O)cn1 ZINC000173468057 258300247 /nfs/dbraw/zinc/30/02/47/258300247.db2.gz KILQRXBRCINHAF-WFASDCNBSA-N 1 2 371.401 1.015 20 5 FDBDLO Cn1cc(N2CC[C@H]([N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)C2=O)cn1 ZINC000173468057 258300248 /nfs/dbraw/zinc/30/02/48/258300248.db2.gz KILQRXBRCINHAF-WFASDCNBSA-N 1 2 371.401 1.015 20 5 FDBDLO O=[N+]([O-])c1cc(CN2CCC[C@H]2C[NH+]2CCOCC2)c2c(c1)COCO2 ZINC000075890333 172097988 /nfs/dbraw/zinc/09/79/88/172097988.db2.gz QVBSNCJQLYEPHB-INIZCTEOSA-N 1 2 363.414 1.758 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000080826896 172177891 /nfs/dbraw/zinc/17/78/91/172177891.db2.gz LBUCHQQPDVHKTE-UHFFFAOYSA-N 1 2 369.443 1.389 20 5 FDBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCN1C(=O)OC(C)(C)C ZINC000090554674 172266869 /nfs/dbraw/zinc/26/68/69/172266869.db2.gz MMCXMCQVHWIBJW-ZDUSSCGKSA-N 1 2 366.418 1.698 20 5 FDBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCN1C(=O)OC(C)(C)C ZINC000090554674 172266870 /nfs/dbraw/zinc/26/68/70/172266870.db2.gz MMCXMCQVHWIBJW-ZDUSSCGKSA-N 1 2 366.418 1.698 20 5 FDBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS1(=O)=O ZINC000121661189 172861050 /nfs/dbraw/zinc/86/10/50/172861050.db2.gz FIPKTEJJZOYNKV-LLVKDONJSA-N 1 2 364.383 1.040 20 5 FDBDLO O=C([C@H]1CCn2c[nH+]cc2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000130285731 173165458 /nfs/dbraw/zinc/16/54/58/173165458.db2.gz QRTNTPAQERLDEF-AWEZNQCLSA-N 1 2 355.398 1.703 20 5 FDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccccc1-n1cc[nH+]c1 ZINC000133848303 173313810 /nfs/dbraw/zinc/31/38/10/173313810.db2.gz GIQKSCDTLROCFG-UHFFFAOYSA-N 1 2 355.358 1.476 20 5 FDBDLO C[C@H]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@@H]1n1cc[nH+]c1 ZINC000134145857 173319424 /nfs/dbraw/zinc/31/94/24/173319424.db2.gz PQCFOCJPJOKRJI-NHYWBVRUSA-N 1 2 365.415 1.526 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134541469 173327144 /nfs/dbraw/zinc/32/71/44/173327144.db2.gz TYZNSXMAMBTXRU-UHFFFAOYSA-N 1 2 354.388 1.511 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000134539654 173327407 /nfs/dbraw/zinc/32/74/07/173327407.db2.gz PRMHSZISPVJXGN-UHFFFAOYSA-N 1 2 354.388 1.511 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139438304 173374732 /nfs/dbraw/zinc/37/47/32/173374732.db2.gz OGWAQZJWGPFKFE-LLVKDONJSA-N 1 2 369.805 1.958 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3N)c[nH+]2)CCO1 ZINC000175999922 174044259 /nfs/dbraw/zinc/04/42/59/174044259.db2.gz OCBRORNGWDBORL-GFCCVEGCSA-N 1 2 371.397 1.727 20 5 FDBDLO Cc1ccc([C@@H](C)NC(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176738136 174085615 /nfs/dbraw/zinc/08/56/15/174085615.db2.gz XFXAWXGDKYAGSD-CQSZACIVSA-N 1 2 350.419 1.938 20 5 FDBDLO C[C@H]1C[NH+]=C(N2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)S1 ZINC000177210945 174114414 /nfs/dbraw/zinc/11/44/14/174114414.db2.gz IPJZXBWEXVYKNX-NSHDSACASA-N 1 2 363.443 1.303 20 5 FDBDLO CC(=O)NC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000179708238 258356925 /nfs/dbraw/zinc/35/69/25/258356925.db2.gz JSMIKOYHEBQZLS-KRWDZBQOSA-N 1 2 373.413 1.332 20 5 FDBDLO CC(=O)NC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000179708238 258356926 /nfs/dbraw/zinc/35/69/26/258356926.db2.gz JSMIKOYHEBQZLS-KRWDZBQOSA-N 1 2 373.413 1.332 20 5 FDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173544935 258302815 /nfs/dbraw/zinc/30/28/15/258302815.db2.gz YHBKYJQKMASARE-GFCCVEGCSA-N 1 2 373.406 1.077 20 5 FDBDLO Cc1nc(N2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000183784702 258380370 /nfs/dbraw/zinc/38/03/70/258380370.db2.gz YQDQXNUXCAGEQA-CYBMUJFWSA-N 1 2 370.413 1.842 20 5 FDBDLO NC(=O)c1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000189695395 258387216 /nfs/dbraw/zinc/38/72/16/258387216.db2.gz CGOVHJCPQMLQAR-UHFFFAOYSA-N 1 2 370.413 1.616 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189782877 258387694 /nfs/dbraw/zinc/38/76/94/258387694.db2.gz FXZXRADFZMTDSW-ZFWWWQNUSA-N 1 2 351.403 1.181 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000189782877 258387695 /nfs/dbraw/zinc/38/76/95/258387695.db2.gz FXZXRADFZMTDSW-ZFWWWQNUSA-N 1 2 351.403 1.181 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000189984046 258388266 /nfs/dbraw/zinc/38/82/66/258388266.db2.gz PZWZLDDQUQOSDS-LBPRGKRZSA-N 1 2 371.459 1.458 20 5 FDBDLO CCOC(=O)c1cc(C(=O)NCc2c[nH+]c(C)nc2N)cc([N+](=O)[O-])c1 ZINC000556841712 544212424 /nfs/dbraw/zinc/21/24/24/544212424.db2.gz HAINRDMURPDOPK-UHFFFAOYSA-N 1 2 359.342 1.382 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+]2CCOCC2)n1 ZINC000557476148 544296214 /nfs/dbraw/zinc/29/62/14/544296214.db2.gz WZKUTODGOVRJQK-ZDUSSCGKSA-N 1 2 366.418 1.935 20 5 FDBDLO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1noc(-c2ccccc2)n1 ZINC000558409858 544423266 /nfs/dbraw/zinc/42/32/66/544423266.db2.gz YGSPLMKBLSSCBZ-BXUZGUMPSA-N 1 2 358.358 1.553 20 5 FDBDLO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1noc(-c2ccccc2)n1 ZINC000558409860 544423451 /nfs/dbraw/zinc/42/34/51/544423451.db2.gz YGSPLMKBLSSCBZ-RISCZKNCSA-N 1 2 358.358 1.553 20 5 FDBDLO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)(F)F)O1 ZINC000559312807 544640271 /nfs/dbraw/zinc/64/02/71/544640271.db2.gz OCFPNDHDPUSQLW-DGCLKSJQSA-N 1 2 366.340 1.584 20 5 FDBDLO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)(F)F)O1 ZINC000559312807 544640275 /nfs/dbraw/zinc/64/02/75/544640275.db2.gz OCFPNDHDPUSQLW-DGCLKSJQSA-N 1 2 366.340 1.584 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000299481660 259000252 /nfs/dbraw/zinc/00/02/52/259000252.db2.gz CXWWPUXMBPSRCW-UHFFFAOYSA-N 1 2 366.399 1.826 20 5 FDBDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000301137746 259021441 /nfs/dbraw/zinc/02/14/41/259021441.db2.gz DDOLMYVIRGOBDQ-CABCVRRESA-N 1 2 361.446 1.807 20 5 FDBDLO CC(C)=CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000302660519 259044290 /nfs/dbraw/zinc/04/42/90/259044290.db2.gz DVXJSQBKLCHNHN-UHFFFAOYSA-N 1 2 368.459 1.909 20 5 FDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000330561191 259150451 /nfs/dbraw/zinc/15/04/51/259150451.db2.gz SPCVGFLVBPGKFD-VXGBXAGGSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000330561191 259150452 /nfs/dbraw/zinc/15/04/52/259150452.db2.gz SPCVGFLVBPGKFD-VXGBXAGGSA-N 1 2 357.432 1.707 20 5 FDBDLO O=C1[C@H]([NH+]2CCC(O)(C(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000331701386 259214114 /nfs/dbraw/zinc/21/41/14/259214114.db2.gz WIYVZRSCBAARGS-CYBMUJFWSA-N 1 2 355.341 1.792 20 5 FDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)c1 ZINC000332374595 259261290 /nfs/dbraw/zinc/26/12/90/259261290.db2.gz MXAJEUWVWWYUQM-UHFFFAOYSA-N 1 2 353.444 1.542 20 5 FDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])CCC2 ZINC000368282454 260161021 /nfs/dbraw/zinc/16/10/21/260161021.db2.gz GEFAXISWGCDDNF-LLVKDONJSA-N 1 2 365.415 1.737 20 5 FDBDLO CN(CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)c1ccccc1[N+](=O)[O-] ZINC000368526556 260196658 /nfs/dbraw/zinc/19/66/58/260196658.db2.gz IQXIBWQIJZWMEI-OAHLLOKOSA-N 1 2 355.398 1.599 20 5 FDBDLO O=C1C[C@@H]([N@@H+]2CCC[C@@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368875955 260253561 /nfs/dbraw/zinc/25/35/61/260253561.db2.gz NSZLXTQYXZHJDO-HZPDHXFCSA-N 1 2 369.381 1.760 20 5 FDBDLO O=C1C[C@@H]([N@H+]2CCC[C@@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368875955 260253562 /nfs/dbraw/zinc/25/35/62/260253562.db2.gz NSZLXTQYXZHJDO-HZPDHXFCSA-N 1 2 369.381 1.760 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000373311446 261000152 /nfs/dbraw/zinc/00/01/52/261000152.db2.gz QSRKLBLEJLZQIR-UHFFFAOYSA-N 1 2 352.372 1.313 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374335038 261111647 /nfs/dbraw/zinc/11/16/47/261111647.db2.gz XMUOEHSRWBPOST-NSHDSACASA-N 1 2 373.369 1.292 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374350698 261114953 /nfs/dbraw/zinc/11/49/53/261114953.db2.gz MWOUUFXBMZKEHU-OAHLLOKOSA-N 1 2 361.377 1.802 20 5 FDBDLO Cc1nn(CCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)c(C)c1[N+](=O)[O-] ZINC000374389538 261123645 /nfs/dbraw/zinc/12/36/45/261123645.db2.gz SQSHOLLOFAQCBY-OAHLLOKOSA-N 1 2 358.402 1.366 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375591072 261378496 /nfs/dbraw/zinc/37/84/96/261378496.db2.gz LEHRXTIGRMYASU-FZMZJTMJSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375591072 261378498 /nfs/dbraw/zinc/37/84/98/261378498.db2.gz LEHRXTIGRMYASU-FZMZJTMJSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375591069 261378675 /nfs/dbraw/zinc/37/86/75/261378675.db2.gz LEHRXTIGRMYASU-BXUZGUMPSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375591069 261378677 /nfs/dbraw/zinc/37/86/77/261378677.db2.gz LEHRXTIGRMYASU-BXUZGUMPSA-N 1 2 351.359 1.186 20 5 FDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000377859015 261897989 /nfs/dbraw/zinc/89/79/89/261897989.db2.gz DZMKCOHGYVBVMW-CZUORRHYSA-N 1 2 369.443 1.220 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378410053 262020403 /nfs/dbraw/zinc/02/04/03/262020403.db2.gz OJUNFTIUCXSUJZ-FZMZJTMJSA-N 1 2 357.370 1.800 20 5 FDBDLO CCn1cc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000407989664 262066467 /nfs/dbraw/zinc/06/64/67/262066467.db2.gz IMEFCVLJRATXRI-VXGBXAGGSA-N 1 2 357.436 1.059 20 5 FDBDLO CCn1cc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000407989664 262066468 /nfs/dbraw/zinc/06/64/68/262066468.db2.gz IMEFCVLJRATXRI-VXGBXAGGSA-N 1 2 357.436 1.059 20 5 FDBDLO NC(=O)c1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC000022010092 518888289 /nfs/dbraw/zinc/88/82/89/518888289.db2.gz SSWNBKLSJCASSI-UHFFFAOYSA-N 1 2 356.382 1.722 20 5 FDBDLO CC[C@@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000023380601 518949657 /nfs/dbraw/zinc/94/96/57/518949657.db2.gz BEHAZDFNAIIOLK-GFCCVEGCSA-N 1 2 356.448 1.741 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)N1CCCCC1 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C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093843155 525002028 /nfs/dbraw/zinc/00/20/28/525002028.db2.gz MZBRZXIECRNSKU-AWEZNQCLSA-N 1 2 362.430 1.429 20 5 FDBDLO CCOCC[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000161228789 525059638 /nfs/dbraw/zinc/05/96/38/525059638.db2.gz SHJAFOGTYMESPD-UHFFFAOYSA-N 1 2 359.224 1.911 20 5 FDBDLO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153120510 525111542 /nfs/dbraw/zinc/11/15/42/525111542.db2.gz NPTINZLBOJWAMF-UHFFFAOYSA-N 1 2 358.398 1.818 20 5 FDBDLO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153120510 525111549 /nfs/dbraw/zinc/11/15/49/525111549.db2.gz NPTINZLBOJWAMF-UHFFFAOYSA-N 1 2 358.398 1.818 20 5 FDBDLO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1CCOC ZINC000153696072 525291182 /nfs/dbraw/zinc/29/11/82/525291182.db2.gz YGKOWTMZGFPXPW-AWEZNQCLSA-N 1 2 351.403 1.873 20 5 FDBDLO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+]1CCOC ZINC000153696072 525291188 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C/C=C\CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000599172682 552978862 /nfs/dbraw/zinc/97/88/62/552978862.db2.gz QQZBJEKERZFKTB-ARJAWSKDSA-N 1 2 354.432 1.519 20 5 FDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000599194012 552982265 /nfs/dbraw/zinc/98/22/65/552982265.db2.gz NKBMXZUTPTYPIH-CQSZACIVSA-N 1 2 361.402 1.248 20 5 FDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000599194012 552982266 /nfs/dbraw/zinc/98/22/66/552982266.db2.gz NKBMXZUTPTYPIH-CQSZACIVSA-N 1 2 361.402 1.248 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000599205268 552984957 /nfs/dbraw/zinc/98/49/57/552984957.db2.gz VZHUNFUHPSYJAI-LBPRGKRZSA-N 1 2 371.394 1.049 20 5 FDBDLO Cc1ccc([C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000599225331 552993176 /nfs/dbraw/zinc/99/31/76/552993176.db2.gz LJLBUVUJOJWTOU-ZDUSSCGKSA-N 1 2 367.431 1.218 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000599390052 553042868 /nfs/dbraw/zinc/04/28/68/553042868.db2.gz HFVPUSGKFUGYDI-LBPRGKRZSA-N 1 2 357.436 1.014 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631830 553107845 /nfs/dbraw/zinc/10/78/45/553107845.db2.gz HXRBATZJGMCNCM-COFHBGIHSA-N 1 2 351.428 1.907 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599631830 553107846 /nfs/dbraw/zinc/10/78/46/553107846.db2.gz HXRBATZJGMCNCM-COFHBGIHSA-N 1 2 351.428 1.907 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600105090 553219146 /nfs/dbraw/zinc/21/91/46/553219146.db2.gz FMXTZIFXYJRYMM-UHFFFAOYSA-N 1 2 351.407 1.207 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600105090 553219148 /nfs/dbraw/zinc/21/91/48/553219148.db2.gz FMXTZIFXYJRYMM-UHFFFAOYSA-N 1 2 351.407 1.207 20 5 FDBDLO Cc1[nH]c(CN(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC000600165279 553226842 /nfs/dbraw/zinc/22/68/42/553226842.db2.gz QIGBMIATCRKJCN-UHFFFAOYSA-N 1 2 367.431 1.345 20 5 FDBDLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1[N+](=O)[O-] ZINC000600232230 553233722 /nfs/dbraw/zinc/23/37/22/553233722.db2.gz QHNFUKGEASRYDQ-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600232230 553233723 /nfs/dbraw/zinc/23/37/23/553233723.db2.gz QHNFUKGEASRYDQ-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600232565 553233803 /nfs/dbraw/zinc/23/38/03/553233803.db2.gz RWRVRDVCSMBWIU-QGZVFWFLSA-N 1 2 367.377 1.080 20 5 FDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600232565 553233804 /nfs/dbraw/zinc/23/38/04/553233804.db2.gz RWRVRDVCSMBWIU-QGZVFWFLSA-N 1 2 367.377 1.080 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000600685341 553300227 /nfs/dbraw/zinc/30/02/27/553300227.db2.gz UHGWWVMBMRCLKW-OAHLLOKOSA-N 1 2 374.372 1.760 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1F ZINC000600685341 553300229 /nfs/dbraw/zinc/30/02/29/553300229.db2.gz UHGWWVMBMRCLKW-OAHLLOKOSA-N 1 2 374.372 1.760 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])s1 ZINC000601377533 553389147 /nfs/dbraw/zinc/38/91/47/553389147.db2.gz BMNDZCSEFCOBSZ-JTQLQIEISA-N 1 2 356.429 1.876 20 5 FDBDLO CO[C@@]1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCOC1 ZINC000602448478 553583814 /nfs/dbraw/zinc/58/38/14/553583814.db2.gz VAIMTUVZSFGRCI-OAHLLOKOSA-N 1 2 355.416 1.220 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000602882383 553658883 /nfs/dbraw/zinc/65/88/83/553658883.db2.gz DNKRIUIUJQRZOX-UWVGGRQHSA-N 1 2 370.353 1.007 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000602882383 553658885 /nfs/dbraw/zinc/65/88/85/553658885.db2.gz DNKRIUIUJQRZOX-UWVGGRQHSA-N 1 2 370.353 1.007 20 5 FDBDLO O=C(Nc1nn2cnnc2s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000603467596 553791894 /nfs/dbraw/zinc/79/18/94/553791894.db2.gz SCMRQCGIWLBWBP-UHFFFAOYSA-N 1 2 356.327 1.532 20 5 FDBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604496657 553881540 /nfs/dbraw/zinc/88/15/40/553881540.db2.gz OATQQHFZHXBPRF-CYBMUJFWSA-N 1 2 356.386 1.098 20 5 FDBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029251 554334538 /nfs/dbraw/zinc/33/45/38/554334538.db2.gz MUAKNRSXDAREEW-UHFFFAOYSA-N 1 2 357.322 1.664 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609134775 554341246 /nfs/dbraw/zinc/34/12/46/554341246.db2.gz UFHPSEXKYKYKPB-GFCCVEGCSA-N 1 2 366.399 1.826 20 5 FDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000609211343 554349301 /nfs/dbraw/zinc/34/93/01/554349301.db2.gz JUXIYENNNFUQIX-CYBMUJFWSA-N 1 2 351.407 1.027 20 5 FDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000609211343 554349302 /nfs/dbraw/zinc/34/93/02/554349302.db2.gz JUXIYENNNFUQIX-CYBMUJFWSA-N 1 2 351.407 1.027 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564220 554394414 /nfs/dbraw/zinc/39/44/14/554394414.db2.gz XHWFUODAYNNGST-AWEZNQCLSA-N 1 2 365.821 1.837 20 5 FDBDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000610283750 554487014 /nfs/dbraw/zinc/48/70/14/554487014.db2.gz KCHWJOWGIIIDOD-UHFFFAOYSA-N 1 2 371.397 1.477 20 5 FDBDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000610283750 554487018 /nfs/dbraw/zinc/48/70/18/554487018.db2.gz KCHWJOWGIIIDOD-UHFFFAOYSA-N 1 2 371.397 1.477 20 5 FDBDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000610304465 554489888 /nfs/dbraw/zinc/48/98/88/554489888.db2.gz ICQXZHQTKABLOM-CYBMUJFWSA-N 1 2 355.358 1.020 20 5 FDBDLO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000611157909 554610426 /nfs/dbraw/zinc/61/04/26/554610426.db2.gz PMPDPZGMMDHIDB-UHFFFAOYSA-N 1 2 361.177 1.559 20 5 FDBDLO CN(C)C(=O)C[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000611170249 554611587 /nfs/dbraw/zinc/61/15/87/554611587.db2.gz ONRJVSUWRQKMFZ-UHFFFAOYSA-N 1 2 373.413 1.456 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000619487564 555786308 /nfs/dbraw/zinc/78/63/08/555786308.db2.gz QTQYWHWKRDLSIP-UHFFFAOYSA-N 1 2 364.339 1.146 20 5 FDBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000619873084 555847282 /nfs/dbraw/zinc/84/72/82/555847282.db2.gz ZBVSKQSMRHMICH-UHFFFAOYSA-N 1 2 360.374 1.476 20 5 FDBDLO O=C1C[C@@H]([N@@H+]2CC[C@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000290999856 567946237 /nfs/dbraw/zinc/94/62/37/567946237.db2.gz SSSDFNXKOHIMSJ-LSDHHAIUSA-N 1 2 355.354 1.370 20 5 FDBDLO O=C1C[C@@H]([N@H+]2CC[C@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000290999856 567946238 /nfs/dbraw/zinc/94/62/38/567946238.db2.gz SSSDFNXKOHIMSJ-LSDHHAIUSA-N 1 2 355.354 1.370 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000291329939 568115913 /nfs/dbraw/zinc/11/59/13/568115913.db2.gz VKEHCGTUSIWISM-INIZCTEOSA-N 1 2 371.397 1.558 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826498644 608498667 /nfs/dbraw/zinc/49/86/67/608498667.db2.gz DFUTVRPMACKUEO-UHFFFAOYSA-N 1 2 355.358 1.690 20 5 FDBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277574527 674970584 /nfs/dbraw/zinc/97/05/84/674970584.db2.gz OBOUKELXRSGFEC-VDBVYFBLSA-N 1 2 362.411 1.764 20 5 FDBDLO C[NH+](C)CCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000277715377 675015126 /nfs/dbraw/zinc/01/51/26/675015126.db2.gz GPGXJBFCKDBWOV-UHFFFAOYSA-N 1 2 370.200 1.336 20 5 FDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000119979824 671682309 /nfs/dbraw/zinc/68/23/09/671682309.db2.gz GEWOKABGKNSTAB-LLVKDONJSA-N 1 2 355.397 1.893 20 5 FDBDLO CN(C)c1[nH+]cc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1C ZINC000265630933 672956830 /nfs/dbraw/zinc/95/68/30/672956830.db2.gz RVRCHBUERNTWDL-UHFFFAOYSA-N 1 2 357.367 1.012 20 5 FDBDLO CSC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000289183329 676102913 /nfs/dbraw/zinc/10/29/13/676102913.db2.gz TTWAWDKJFCVOHA-UHFFFAOYSA-N 1 2 371.484 1.797 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000279290430 675270451 /nfs/dbraw/zinc/27/04/51/675270451.db2.gz LLOUZKAXVLIZKW-LBPRGKRZSA-N 1 2 355.366 1.292 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000280060477 675379307 /nfs/dbraw/zinc/37/93/07/675379307.db2.gz PPPWQWXJZOTRNU-AWEZNQCLSA-N 1 2 350.419 1.499 20 5 FDBDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000280694969 675448969 /nfs/dbraw/zinc/44/89/69/675448969.db2.gz HYAGKBCVRBFNQD-ZYHUDNBSSA-N 1 2 351.359 1.283 20 5 FDBDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000280694969 675448971 /nfs/dbraw/zinc/44/89/71/675448971.db2.gz HYAGKBCVRBFNQD-ZYHUDNBSSA-N 1 2 351.359 1.283 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000327568691 676593945 /nfs/dbraw/zinc/59/39/45/676593945.db2.gz ZEGMLHKRYPMZJE-ZDUSSCGKSA-N 1 2 364.383 1.311 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000327568691 676593947 /nfs/dbraw/zinc/59/39/47/676593947.db2.gz ZEGMLHKRYPMZJE-ZDUSSCGKSA-N 1 2 364.383 1.311 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000361981725 676904976 /nfs/dbraw/zinc/90/49/76/676904976.db2.gz OPOFCQWUOUOTHO-LSDHHAIUSA-N 1 2 369.443 1.123 20 5 FDBDLO COC(=O)c1cc(C)nc(NC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000413537135 679277865 /nfs/dbraw/zinc/27/78/65/679277865.db2.gz GNDLNOJRJRTFGE-UHFFFAOYSA-N 1 2 352.391 1.608 20 5 FDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000416375204 679592032 /nfs/dbraw/zinc/59/20/32/679592032.db2.gz SUAOUMLAWHZSDG-UHFFFAOYSA-N 1 2 364.305 1.789 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420437036 680450144 /nfs/dbraw/zinc/45/01/44/680450144.db2.gz BWLYQUHBPBDUHB-NSHDSACASA-N 1 2 363.386 1.680 20 5 FDBDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000425210304 680885413 /nfs/dbraw/zinc/88/54/13/680885413.db2.gz WIVFRDSKPODZJJ-UHFFFAOYSA-N 1 2 371.459 1.467 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+](C)[C@H](CO)COC(C)C)c([N+](=O)[O-])c1 ZINC000433137773 681174258 /nfs/dbraw/zinc/17/42/58/681174258.db2.gz PTIGXMGYKKOEIA-GFCCVEGCSA-N 1 2 355.391 1.260 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C)c([N+](=O)[O-])c1 ZINC000433137773 681174259 /nfs/dbraw/zinc/17/42/59/681174259.db2.gz PTIGXMGYKKOEIA-GFCCVEGCSA-N 1 2 355.391 1.260 20 5 FDBDLO O=C(C[N@H+]1CC[C@@H](CO)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000446023422 682472192 /nfs/dbraw/zinc/47/21/92/682472192.db2.gz DMVHJGGFNAHRQF-LLVKDONJSA-N 1 2 362.411 1.971 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@H](CO)C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000446023422 682472193 /nfs/dbraw/zinc/47/21/93/682472193.db2.gz DMVHJGGFNAHRQF-LLVKDONJSA-N 1 2 362.411 1.971 20 5 FDBDLO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[S@](C)=O ZINC000450152868 682738956 /nfs/dbraw/zinc/73/89/56/682738956.db2.gz QULBYLPDJQJQHZ-JNDILOIQSA-N 1 2 350.400 1.667 20 5 FDBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000451732601 682926928 /nfs/dbraw/zinc/92/69/28/682926928.db2.gz AHEURVWXZOCWNW-INIZCTEOSA-N 1 2 354.428 1.874 20 5 FDBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000451732601 682926929 /nfs/dbraw/zinc/92/69/29/682926929.db2.gz AHEURVWXZOCWNW-INIZCTEOSA-N 1 2 354.428 1.874 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@](O)(C(F)F)C1 ZINC000452684470 683102454 /nfs/dbraw/zinc/10/24/54/683102454.db2.gz MJQHUPSCNMUULM-OAHLLOKOSA-N 1 2 352.297 1.623 20 5 FDBDLO COC(=O)c1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000459521860 684419633 /nfs/dbraw/zinc/41/96/33/684419633.db2.gz WEJUOQMDJNXKMT-UHFFFAOYSA-N 1 2 365.415 1.462 20 5 FDBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463675564 684701545 /nfs/dbraw/zinc/70/15/45/684701545.db2.gz AMCCJUGPDPAZMO-NSHDSACASA-N 1 2 361.383 1.707 20 5 FDBDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000467715431 684873397 /nfs/dbraw/zinc/87/33/97/684873397.db2.gz VTZSHPVDDOLEPJ-MEBBXXQBSA-N 1 2 367.427 1.211 20 5 FDBDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000467715431 684873401 /nfs/dbraw/zinc/87/34/01/684873401.db2.gz VTZSHPVDDOLEPJ-MEBBXXQBSA-N 1 2 367.427 1.211 20 5 FDBDLO CS(=O)(=O)CC1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000535275955 694903249 /nfs/dbraw/zinc/90/32/49/694903249.db2.gz PKMFBZFUQZGPOR-LBPRGKRZSA-N 1 2 354.432 1.301 20 5 FDBDLO CS(=O)(=O)CC1(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000535275955 694903250 /nfs/dbraw/zinc/90/32/50/694903250.db2.gz PKMFBZFUQZGPOR-LBPRGKRZSA-N 1 2 354.432 1.301 20 5 FDBDLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCCn1cc([N+](=O)[O-])cn1 ZINC000748130961 773234589 /nfs/dbraw/zinc/23/45/89/773234589.db2.gz ZWECBGQDOZIDBV-QGZVFWFLSA-N 1 2 374.397 1.626 20 5 FDBDLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCn1cc([N+](=O)[O-])cn1 ZINC000748130961 773234594 /nfs/dbraw/zinc/23/45/94/773234594.db2.gz ZWECBGQDOZIDBV-QGZVFWFLSA-N 1 2 374.397 1.626 20 5 FDBDLO O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364860003 785211838 /nfs/dbraw/zinc/21/18/38/785211838.db2.gz NRGZBCHNFKSPII-HUUCEWRRSA-N 1 2 369.368 1.744 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000376220490 786843112 /nfs/dbraw/zinc/84/31/12/786843112.db2.gz JMPHIVFODIPDGO-DLBZAZTESA-N 1 2 372.381 1.801 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775593 792010759 /nfs/dbraw/zinc/01/07/59/792010759.db2.gz GUZMFNLGGOYVDF-ZNLHFFCSSA-N 1 2 353.781 1.691 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775593 792010771 /nfs/dbraw/zinc/01/07/71/792010771.db2.gz GUZMFNLGGOYVDF-ZNLHFFCSSA-N 1 2 353.781 1.691 20 5 FDBDLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2C1 ZINC000433951792 811611680 /nfs/dbraw/zinc/61/16/80/811611680.db2.gz VFGPYERAPODFNQ-UHFFFAOYSA-N 1 2 372.356 1.830 20 5 FDBDLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cc2C1 ZINC000433951792 811611690 /nfs/dbraw/zinc/61/16/90/811611690.db2.gz VFGPYERAPODFNQ-UHFFFAOYSA-N 1 2 372.356 1.830 20 5 FDBDLO COCC(C)(C)[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000424999367 815492137 /nfs/dbraw/zinc/49/21/37/815492137.db2.gz LKKOZZVZUNVFAO-UHFFFAOYSA-N 1 2 361.402 1.654 20 5 FDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366555734 813551056 /nfs/dbraw/zinc/55/10/56/813551056.db2.gz NFHRLOVIMYYNDI-KRWDZBQOSA-N 1 2 362.430 1.642 20 5 FDBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366555734 813551063 /nfs/dbraw/zinc/55/10/63/813551063.db2.gz NFHRLOVIMYYNDI-KRWDZBQOSA-N 1 2 362.430 1.642 20 5 FDBDLO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507090670 818601944 /nfs/dbraw/zinc/60/19/44/818601944.db2.gz UZWIQRRXLYTVLS-WMZOPIPTSA-N 1 2 371.393 1.666 20 5 FDBDLO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507090670 818601950 /nfs/dbraw/zinc/60/19/50/818601950.db2.gz UZWIQRRXLYTVLS-WMZOPIPTSA-N 1 2 371.393 1.666 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCCn1cc[nH+]c1 ZINC000427906581 820840039 /nfs/dbraw/zinc/84/00/39/820840039.db2.gz QVBZIUHMWUEABZ-UHFFFAOYSA-N 1 2 355.354 1.925 20 5 FDBDLO Cn1c(Cl)cnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425834 827786058 /nfs/dbraw/zinc/78/60/58/827786058.db2.gz KNMUDGWYVUULCA-VXGBXAGGSA-N 1 2 355.826 1.162 20 5 FDBDLO Cn1c(Cl)cnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425834 827786060 /nfs/dbraw/zinc/78/60/60/827786060.db2.gz KNMUDGWYVUULCA-VXGBXAGGSA-N 1 2 355.826 1.162 20 5 FDBDLO CC(=O)NC1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448868944 829276094 /nfs/dbraw/zinc/27/60/94/829276094.db2.gz PARUFIAHURJUGE-UHFFFAOYSA-N 1 2 371.397 1.958 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449904107 829720283 /nfs/dbraw/zinc/72/02/83/829720283.db2.gz VKZANSFNLDKIPI-HNNXBMFYSA-N 1 2 371.397 1.578 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449904107 829720286 /nfs/dbraw/zinc/72/02/86/829720286.db2.gz VKZANSFNLDKIPI-HNNXBMFYSA-N 1 2 371.397 1.578 20 5 FDBDLO CC(C)(C)N1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000450021734 829763018 /nfs/dbraw/zinc/76/30/18/829763018.db2.gz WSHRUVAYAVGMFI-ZDUSSCGKSA-N 1 2 371.397 1.910 20 5 FDBDLO O=C(N[C@H]1CCCn2ncnc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450078913 829787435 /nfs/dbraw/zinc/78/74/35/829787435.db2.gz QZHMIXVLYBZWJN-LBPRGKRZSA-N 1 2 353.342 1.637 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000302170442 829907558 /nfs/dbraw/zinc/90/75/58/829907558.db2.gz UGIPBNQLRQTLSL-UHFFFAOYSA-N 1 2 357.370 1.806 20 5 FDBDLO COC(=O)[C@]1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451047736 830231971 /nfs/dbraw/zinc/23/19/71/830231971.db2.gz IVMHBRWWGWTHIE-KRWDZBQOSA-N 1 2 358.354 1.948 20 5 FDBDLO CCC[C@@]1(C)C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451229737 830305646 /nfs/dbraw/zinc/30/56/46/830305646.db2.gz ACSAFVYRBGGDLK-SFHVURJKSA-N 1 2 371.397 1.911 20 5 FDBDLO COC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451922992 830475389 /nfs/dbraw/zinc/47/53/89/830475389.db2.gz ATYQHQHFFDJXEC-SJCJKPOMSA-N 1 2 367.402 1.261 20 5 FDBDLO COC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451922992 830475395 /nfs/dbraw/zinc/47/53/95/830475395.db2.gz ATYQHQHFFDJXEC-SJCJKPOMSA-N 1 2 367.402 1.261 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000453374911 830923119 /nfs/dbraw/zinc/92/31/19/830923119.db2.gz ZOIOFCPRJYDXPC-KSZLIROESA-N 1 2 371.441 1.871 20 5 FDBDLO Cc1nnc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001029964668 831938252 /nfs/dbraw/zinc/93/82/52/831938252.db2.gz UWRIPBBSSLMOCP-CHWSQXEVSA-N 1 2 353.448 1.182 20 5 FDBDLO Cc1nnc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001029964668 831938255 /nfs/dbraw/zinc/93/82/55/831938255.db2.gz UWRIPBBSSLMOCP-CHWSQXEVSA-N 1 2 353.448 1.182 20 5 FDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478989848 844264178 /nfs/dbraw/zinc/26/41/78/844264178.db2.gz PWUYBWBRUXCBNT-KRWDZBQOSA-N 1 2 363.414 1.087 20 5 FDBDLO COc1cc(OCC(=O)N[C@@H]2CCC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898490952 844762824 /nfs/dbraw/zinc/76/28/24/844762824.db2.gz KHBCVCLKCSSLES-GFCCVEGCSA-N 1 2 355.366 1.532 20 5 FDBDLO COc1cc(OCC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000898490952 844762833 /nfs/dbraw/zinc/76/28/33/844762833.db2.gz KHBCVCLKCSSLES-GFCCVEGCSA-N 1 2 355.366 1.532 20 5 FDBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000898490856 844763038 /nfs/dbraw/zinc/76/30/38/844763038.db2.gz JLCGWINXPDIJEG-CYBMUJFWSA-N 1 2 361.377 1.944 20 5 FDBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000898490856 844763041 /nfs/dbraw/zinc/76/30/41/844763041.db2.gz JLCGWINXPDIJEG-CYBMUJFWSA-N 1 2 361.377 1.944 20 5 FDBDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000898491971 844765659 /nfs/dbraw/zinc/76/56/59/844765659.db2.gz PXMXCNDOONNXPY-LLVKDONJSA-N 1 2 353.350 1.530 20 5 FDBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000898491971 844765665 /nfs/dbraw/zinc/76/56/65/844765665.db2.gz PXMXCNDOONNXPY-LLVKDONJSA-N 1 2 353.350 1.530 20 5 FDBDLO Cn1cc([C@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)cn1 ZINC000913463466 862149767 /nfs/dbraw/zinc/14/97/67/862149767.db2.gz FSZPWBIWICCYII-CQSZACIVSA-N 1 2 365.340 1.593 20 5 FDBDLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000913462039 862218116 /nfs/dbraw/zinc/21/81/16/862218116.db2.gz DBJYKOGJKFIEOU-ZBEGNZNMSA-N 1 2 361.377 1.744 20 5 FDBDLO C[N@@H+]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1CO ZINC000913551584 862368995 /nfs/dbraw/zinc/36/89/95/862368995.db2.gz UOHPFWAFEJUHAI-CYBMUJFWSA-N 1 2 362.411 1.467 20 5 FDBDLO C[N@H+]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1CO ZINC000913551584 862369015 /nfs/dbraw/zinc/36/90/15/862369015.db2.gz UOHPFWAFEJUHAI-CYBMUJFWSA-N 1 2 362.411 1.467 20 5 FDBDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000485742252 852819614 /nfs/dbraw/zinc/81/96/14/852819614.db2.gz GEMIWTLBDOHVCB-UHFFFAOYSA-N 1 2 364.446 1.589 20 5 FDBDLO COCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490296279 861068078 /nfs/dbraw/zinc/06/80/78/861068078.db2.gz ANNRVZOMLHDCRP-AWEZNQCLSA-N 1 2 360.370 1.658 20 5 FDBDLO COC(=O)[C@@](C)([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000535051423 867424194 /nfs/dbraw/zinc/42/41/94/867424194.db2.gz RWSHPUJDBJRBBI-KRWDZBQOSA-N 1 2 363.370 1.824 20 5 FDBDLO COC(=O)COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000462870047 868227026 /nfs/dbraw/zinc/22/70/26/868227026.db2.gz YLCQRFUTGVTELM-LBPRGKRZSA-N 1 2 374.340 1.596 20 5 FDBDLO COC(=O)COc1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000462870047 868227039 /nfs/dbraw/zinc/22/70/39/868227039.db2.gz YLCQRFUTGVTELM-LBPRGKRZSA-N 1 2 374.340 1.596 20 5 FDBDLO COC(=O)C[C@@]1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOC1 ZINC000464597542 868953435 /nfs/dbraw/zinc/95/34/35/868953435.db2.gz IOMBZHFUZVPIAN-INIZCTEOSA-N 1 2 362.342 1.457 20 5 FDBDLO COC(=O)c1cc(C)nc(NCC2([NH+]3CCCC3)COC2)c1[N+](=O)[O-] ZINC001168444797 870036808 /nfs/dbraw/zinc/03/68/08/870036808.db2.gz KMCFKSHQGKVMPB-UHFFFAOYSA-N 1 2 350.375 1.362 20 5 FDBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCCn1cc[nH+]c1 ZINC000763286713 880357046 /nfs/dbraw/zinc/35/70/46/880357046.db2.gz CEQIQGYQIXAFQM-UHFFFAOYSA-N 1 2 358.310 1.021 20 5 FDBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC001005380246 883162677 /nfs/dbraw/zinc/16/26/77/883162677.db2.gz CZIAJMOJPKREFH-IAGOWNOFSA-N 1 2 361.446 1.307 20 5 FDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000154926769 885429463 /nfs/dbraw/zinc/42/94/63/885429463.db2.gz IWPGMKHJKREJEC-GFCCVEGCSA-N 1 2 358.358 1.464 20 5 FDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000154926769 885429470 /nfs/dbraw/zinc/42/94/70/885429470.db2.gz IWPGMKHJKREJEC-GFCCVEGCSA-N 1 2 358.358 1.464 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000919597574 885928958 /nfs/dbraw/zinc/92/89/58/885928958.db2.gz KNXPTKGHWBAYQH-AWEZNQCLSA-N 1 2 371.459 1.954 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000919597574 885928965 /nfs/dbraw/zinc/92/89/65/885928965.db2.gz KNXPTKGHWBAYQH-AWEZNQCLSA-N 1 2 371.459 1.954 20 5 FDBDLO CCc1nc(C)c(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)o1 ZINC001035704212 886328588 /nfs/dbraw/zinc/32/85/88/886328588.db2.gz FWFJWBMCKYJOST-ZIAGYGMSSA-N 1 2 362.430 1.635 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1C ZINC000920009758 886534882 /nfs/dbraw/zinc/53/48/82/886534882.db2.gz MJXJCFXPCBGSIM-HIFRSBDPSA-N 1 2 370.475 1.124 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000920009758 886534891 /nfs/dbraw/zinc/53/48/91/886534891.db2.gz MJXJCFXPCBGSIM-HIFRSBDPSA-N 1 2 370.475 1.124 20 5 FDBDLO CC(C)N1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000265652731 909045043 /nfs/dbraw/zinc/04/50/43/909045043.db2.gz OXASPUFXBKLAJY-ZDUSSCGKSA-N 1 2 357.370 1.520 20 5 FDBDLO Cn1cc(C[NH+]2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cn1 ZINC000729988554 915915041 /nfs/dbraw/zinc/91/50/41/915915041.db2.gz JSKNWKGPBSRZPA-UHFFFAOYSA-N 1 2 355.402 1.453 20 5 FDBDLO O=C(NCCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733166564 920716851 /nfs/dbraw/zinc/71/68/51/920716851.db2.gz PTMIDNAXTQNXMU-UHFFFAOYSA-N 1 2 373.413 1.838 20 5 FDBDLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000741244939 925649624 /nfs/dbraw/zinc/64/96/24/925649624.db2.gz COJQCTSDEVIDSF-AWEZNQCLSA-N 1 2 351.359 1.187 20 5 FDBDLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000741244939 925649630 /nfs/dbraw/zinc/64/96/30/925649630.db2.gz COJQCTSDEVIDSF-AWEZNQCLSA-N 1 2 351.359 1.187 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3nc2Cl)C[NH2+]1 ZINC001169129081 928284233 /nfs/dbraw/zinc/28/42/33/928284233.db2.gz JSZDNFQNZWVTKW-HQJQHLMTSA-N 1 2 351.750 1.507 20 5 FDBDLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772044746 931022953 /nfs/dbraw/zinc/02/29/53/931022953.db2.gz CJIWXVOJKVRERV-SMDDNHRTSA-N 1 2 367.427 1.902 20 5 FDBDLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000772044746 931022965 /nfs/dbraw/zinc/02/29/65/931022965.db2.gz CJIWXVOJKVRERV-SMDDNHRTSA-N 1 2 367.427 1.902 20 5 FDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000787406013 932283935 /nfs/dbraw/zinc/28/39/35/932283935.db2.gz JVYOWQWDZWYEHP-INYRMVIESA-N 1 2 351.472 1.994 20 5 FDBDLO Cc1cc(F)cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000804435736 938433858 /nfs/dbraw/zinc/43/38/58/938433858.db2.gz IMWBLGRHKNTEIF-JSGCOSHPSA-N 1 2 351.378 1.978 20 5 FDBDLO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001135191807 941954631 /nfs/dbraw/zinc/95/46/31/941954631.db2.gz IHIMKDYRBTYUJQ-NFAWXSAZSA-N 1 2 357.332 1.975 20 5 FDBDLO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001135191807 941954633 /nfs/dbraw/zinc/95/46/33/941954633.db2.gz IHIMKDYRBTYUJQ-NFAWXSAZSA-N 1 2 357.332 1.975 20 5 FDBDLO Cc1cc(S(=O)(=O)NCc2coc(C[NH+](C)C)n2)c([N+](=O)[O-])s1 ZINC001195335992 970906313 /nfs/dbraw/zinc/90/63/13/970906313.db2.gz OEGHKBFANDEGQA-UHFFFAOYSA-N 1 2 360.417 1.493 20 5 FDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)n2)c1 ZINC000819898757 943790208 /nfs/dbraw/zinc/79/02/08/943790208.db2.gz YVSPBTOSGDPDIF-OAHLLOKOSA-N 1 2 354.374 1.739 20 5 FDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@@H](n4ccnn4)C3)n2)c1 ZINC000819898757 943790214 /nfs/dbraw/zinc/79/02/14/943790214.db2.gz YVSPBTOSGDPDIF-OAHLLOKOSA-N 1 2 354.374 1.739 20 5 FDBDLO O=C(c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N1CC(n2cc[nH+]c2)C1 ZINC001136819074 946186167 /nfs/dbraw/zinc/18/61/67/946186167.db2.gz SRHBKPZQNVZQLF-UHFFFAOYSA-N 1 2 371.382 1.758 20 5 FDBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001171541831 961203581 /nfs/dbraw/zinc/20/35/81/961203581.db2.gz NCINGLLBOPAWOA-UHFFFAOYSA-N 1 2 358.354 1.359 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCN(C3COC3)CC2)c1F ZINC001173185908 961956892 /nfs/dbraw/zinc/95/68/92/961956892.db2.gz PWCVQOMZDZKYFG-LBPRGKRZSA-N 1 2 353.394 1.690 20 5 FDBDLO NC(=O)[C@H](F)C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001175381611 963182372 /nfs/dbraw/zinc/18/23/72/963182372.db2.gz HQKXNOHSHHULMC-CQSZACIVSA-N 1 2 372.784 1.722 20 5 FDBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001177129299 963675758 /nfs/dbraw/zinc/67/57/58/963675758.db2.gz ZFRNUCWZWZTGIW-CQSZACIVSA-N 1 2 373.413 1.621 20 5 FDBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001177129299 963675761 /nfs/dbraw/zinc/67/57/61/963675761.db2.gz ZFRNUCWZWZTGIW-CQSZACIVSA-N 1 2 373.413 1.621 20 5 FDBDLO CC(C)C[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001177525753 963865368 /nfs/dbraw/zinc/86/53/68/963865368.db2.gz WMCGIEXHMCHLPM-IAGOWNOFSA-N 1 2 361.442 1.383 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC001187527171 965468656 /nfs/dbraw/zinc/46/86/56/965468656.db2.gz JPHGOAPTLFDUFO-UHFFFAOYSA-N 1 2 363.351 1.528 20 5 FDBDLO C[N@@H+]1CCOC[C@]1(CO)CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001187632971 965583545 /nfs/dbraw/zinc/58/35/45/965583545.db2.gz HMFAZJFTZCMIMY-OAHLLOKOSA-N 1 2 367.793 1.296 20 5 FDBDLO C[N@H+]1CCOC[C@]1(CO)CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001187632971 965583553 /nfs/dbraw/zinc/58/35/53/965583553.db2.gz HMFAZJFTZCMIMY-OAHLLOKOSA-N 1 2 367.793 1.296 20 5 FDBDLO COCCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776593957 967279666 /nfs/dbraw/zinc/27/96/66/967279666.db2.gz YQUAWMNZTUNTJR-HOTGVXAUSA-N 1 2 372.443 1.154 20 5 FDBDLO COCCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776593957 967279673 /nfs/dbraw/zinc/27/96/73/967279673.db2.gz YQUAWMNZTUNTJR-HOTGVXAUSA-N 1 2 372.443 1.154 20 5 FDBDLO COC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000852569716 967431438 /nfs/dbraw/zinc/43/14/38/967431438.db2.gz HYJYCZXHOMVDIA-NSHDSACASA-N 1 2 368.390 1.560 20 5 FDBDLO COC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000852569716 967431440 /nfs/dbraw/zinc/43/14/40/967431440.db2.gz HYJYCZXHOMVDIA-NSHDSACASA-N 1 2 368.390 1.560 20 5 FDBDLO COC(=O)N(C)CC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852571288 967433970 /nfs/dbraw/zinc/43/39/70/967433970.db2.gz WGTBWOMFRXNYPD-UHFFFAOYSA-N 1 2 358.782 1.817 20 5 FDBDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852571288 967433976 /nfs/dbraw/zinc/43/39/76/967433976.db2.gz WGTBWOMFRXNYPD-UHFFFAOYSA-N 1 2 358.782 1.817 20 5 FDBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000853541224 968097403 /nfs/dbraw/zinc/09/74/03/968097403.db2.gz QKWDXRNXWFTRLO-MRXNPFEDSA-N 1 2 357.370 1.942 20 5 FDBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000853541224 968097413 /nfs/dbraw/zinc/09/74/13/968097413.db2.gz QKWDXRNXWFTRLO-MRXNPFEDSA-N 1 2 357.370 1.942 20 5 FDBDLO CC[N@@H+](Cc1nncs1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713227 1013854409 /nfs/dbraw/zinc/85/44/09/1013854409.db2.gz SSRBAPXYCBODEV-CHWSQXEVSA-N 1 2 353.448 1.264 20 5 FDBDLO CC[N@H+](Cc1nncs1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713227 1013854418 /nfs/dbraw/zinc/85/44/18/1013854418.db2.gz SSRBAPXYCBODEV-CHWSQXEVSA-N 1 2 353.448 1.264 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854730304 969926664 /nfs/dbraw/zinc/92/66/64/969926664.db2.gz IDKTYHKRGWQOLQ-CYBMUJFWSA-N 1 2 367.377 1.436 20 5 FDBDLO CCOC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001198278106 972944211 /nfs/dbraw/zinc/94/42/11/972944211.db2.gz 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ZINC000298117944 184396262 /nfs/dbraw/zinc/39/62/62/184396262.db2.gz OXEANGWKBPWMEI-MRXNPFEDSA-N 1 2 372.425 1.860 20 5 FDBDLO O=[N+]([O-])c1cnn(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000172052390 258271574 /nfs/dbraw/zinc/27/15/74/258271574.db2.gz MUQOYBIUMJLFRN-UHFFFAOYSA-N 1 2 370.369 1.722 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172303951 258272941 /nfs/dbraw/zinc/27/29/41/258272941.db2.gz ZDWUHODQMWZMHO-GFCCVEGCSA-N 1 2 357.794 1.660 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172303951 258272942 /nfs/dbraw/zinc/27/29/42/258272942.db2.gz ZDWUHODQMWZMHO-GFCCVEGCSA-N 1 2 357.794 1.660 20 5 FDBDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116103514 132247683 /nfs/dbraw/zinc/24/76/83/132247683.db2.gz JNFGRGGMJISKTF-UHFFFAOYSA-N 1 2 360.345 1.896 20 5 FDBDLO C[C@H](F)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000549244133 542857185 /nfs/dbraw/zinc/85/71/85/542857185.db2.gz 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361.358 1.890 20 5 FDBDLO Cc1c(CNC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)cccc1[N+](=O)[O-] ZINC000551054506 543225507 /nfs/dbraw/zinc/22/55/07/543225507.db2.gz AWKFVTHBYMQQAW-UHFFFAOYSA-N 1 2 371.397 1.297 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NCC(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000552054715 543411951 /nfs/dbraw/zinc/41/19/51/543411951.db2.gz KMQNKFIKVHQYFB-AWEZNQCLSA-N 1 2 353.329 1.389 20 5 FDBDLO CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552062601 543413493 /nfs/dbraw/zinc/41/34/93/543413493.db2.gz AMTHWWPBRNSASM-ZBFHGGJFSA-N 1 2 372.429 1.811 20 5 FDBDLO C[NH+](C)CCOc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccn1 ZINC000552403512 543463185 /nfs/dbraw/zinc/46/31/85/543463185.db2.gz HDUAABGCQPKVSV-UHFFFAOYSA-N 1 2 360.370 1.566 20 5 FDBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552710936 543506575 /nfs/dbraw/zinc/50/65/75/543506575.db2.gz AQMFSUCTTMPXNN-UHFFFAOYSA-N 1 2 353.338 1.840 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 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366.399 1.826 20 5 FDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175971824 174041135 /nfs/dbraw/zinc/04/11/35/174041135.db2.gz XKDSHCUVFKVZMZ-LBPRGKRZSA-N 1 2 373.406 1.077 20 5 FDBDLO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176224612 174059370 /nfs/dbraw/zinc/05/93/70/174059370.db2.gz JXKVVHZCBUAAJO-UHFFFAOYSA-N 1 2 368.397 1.731 20 5 FDBDLO CCCCCN(CC(N)=O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180782449 258374559 /nfs/dbraw/zinc/37/45/59/258374559.db2.gz ABNFXTTWSFHKPT-UHFFFAOYSA-N 1 2 359.386 1.898 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000173752744 258309414 /nfs/dbraw/zinc/30/94/14/258309414.db2.gz MDZLKZAUJSJKDJ-MRXNPFEDSA-N 1 2 369.443 1.221 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173892465 258313929 /nfs/dbraw/zinc/31/39/29/258313929.db2.gz FFXAGFNJTIGYAG-CQSZACIVSA-N 1 2 369.443 1.470 20 5 FDBDLO 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ZINC000601319425 553375125 /nfs/dbraw/zinc/37/51/25/553375125.db2.gz NQFXSUVJNRCAOF-CYBMUJFWSA-N 1 2 367.377 1.297 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000602436311 553581119 /nfs/dbraw/zinc/58/11/19/553581119.db2.gz YSBMTLYJYMPVCJ-CQSZACIVSA-N 1 2 369.443 1.470 20 5 FDBDLO CCc1nsc(N2CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2)n1 ZINC000602480194 553590121 /nfs/dbraw/zinc/59/01/21/553590121.db2.gz AHAMWJKZONWRSI-UHFFFAOYSA-N 1 2 351.436 1.455 20 5 FDBDLO CCc1nsc(N2CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])CC2)n1 ZINC000602480194 553590122 /nfs/dbraw/zinc/59/01/22/553590122.db2.gz AHAMWJKZONWRSI-UHFFFAOYSA-N 1 2 351.436 1.455 20 5 FDBDLO COCc1ncc2c(n1)CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000602929280 553671823 /nfs/dbraw/zinc/67/18/23/553671823.db2.gz VWONOQSGFQKSFD-UHFFFAOYSA-N 1 2 374.397 1.977 20 5 FDBDLO COCc1ncc2c(n1)CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000602929280 553671824 /nfs/dbraw/zinc/67/18/24/553671824.db2.gz VWONOQSGFQKSFD-UHFFFAOYSA-N 1 2 374.397 1.977 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)c[nH+]2)CCO1 ZINC000603672994 553808993 /nfs/dbraw/zinc/80/89/93/553808993.db2.gz FKOORNLAABBQLY-LLVKDONJSA-N 1 2 373.369 1.246 20 5 FDBDLO COCC(=O)NC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000603882229 553823646 /nfs/dbraw/zinc/82/36/46/553823646.db2.gz HKMWUBPEWGEJSB-UHFFFAOYSA-N 1 2 364.402 1.069 20 5 FDBDLO CC(C)(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)n1cc([N+](=O)[O-])cn1 ZINC000608802705 554321300 /nfs/dbraw/zinc/32/13/00/554321300.db2.gz HABJIPWEDFTOAR-UHFFFAOYSA-N 1 2 374.401 1.074 20 5 FDBDLO CCOc1cc(C(=O)N(C)CC[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000608904412 554328227 /nfs/dbraw/zinc/32/82/27/554328227.db2.gz SRUIUUDHLCWRKI-UHFFFAOYSA-N 1 2 367.402 1.406 20 5 FDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609136094 554341234 /nfs/dbraw/zinc/34/12/34/554341234.db2.gz LXHNMNSSFJLOFD-OAHLLOKOSA-N 1 2 357.370 1.385 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1SC ZINC000609178367 554345977 /nfs/dbraw/zinc/34/59/77/554345977.db2.gz SYBNAWNCQZFGBS-NSHDSACASA-N 1 2 369.443 1.776 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1SC ZINC000609178367 554345979 /nfs/dbraw/zinc/34/59/79/554345979.db2.gz SYBNAWNCQZFGBS-NSHDSACASA-N 1 2 369.443 1.776 20 5 FDBDLO C[C@H]([C@H](C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+]1CCOCC1 ZINC000609190813 554347688 /nfs/dbraw/zinc/34/76/88/554347688.db2.gz GEYATHDULDVCEA-UONOGXRCSA-N 1 2 373.413 1.620 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000609193303 554347879 /nfs/dbraw/zinc/34/78/79/554347879.db2.gz YPYLTGRBAGINKM-CQSZACIVSA-N 1 2 371.459 1.896 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000609193303 554347882 /nfs/dbraw/zinc/34/78/82/554347882.db2.gz YPYLTGRBAGINKM-CQSZACIVSA-N 1 2 371.459 1.896 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000609281305 554358212 /nfs/dbraw/zinc/35/82/12/554358212.db2.gz SSBVMUCXFNQCCY-UHFFFAOYSA-N 1 2 374.401 1.687 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609493292 554384005 /nfs/dbraw/zinc/38/40/05/554384005.db2.gz DQGCFOWTHJFPCK-LBPRGKRZSA-N 1 2 351.407 1.207 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609493292 554384006 /nfs/dbraw/zinc/38/40/06/554384006.db2.gz DQGCFOWTHJFPCK-LBPRGKRZSA-N 1 2 351.407 1.207 20 5 FDBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000610244251 554477785 /nfs/dbraw/zinc/47/77/85/554477785.db2.gz UQZUSDAKLDDFPL-MRXNPFEDSA-N 1 2 358.398 1.483 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(c2nnc[nH]2)CC1 ZINC000610579979 554533488 /nfs/dbraw/zinc/53/34/88/554533488.db2.gz JVCFTCLUXJRTST-UHFFFAOYSA-N 1 2 367.369 1.918 20 5 FDBDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204911 554614990 /nfs/dbraw/zinc/61/49/90/554614990.db2.gz HVFIPDZADWECAL-LLVKDONJSA-N 1 2 352.391 1.341 20 5 FDBDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204911 554614991 /nfs/dbraw/zinc/61/49/91/554614991.db2.gz HVFIPDZADWECAL-LLVKDONJSA-N 1 2 352.391 1.341 20 5 FDBDLO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3ncccn3)CC1)OCCO2 ZINC000611249636 554619726 /nfs/dbraw/zinc/61/97/26/554619726.db2.gz HUHYWYCYJABADI-UHFFFAOYSA-N 1 2 357.370 1.478 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC000613024064 554872203 /nfs/dbraw/zinc/87/22/03/554872203.db2.gz OVNOMDZGLYJXBC-NSHDSACASA-N 1 2 363.349 1.949 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)nn1 ZINC000613024064 554872204 /nfs/dbraw/zinc/87/22/04/554872204.db2.gz OVNOMDZGLYJXBC-NSHDSACASA-N 1 2 363.349 1.949 20 5 FDBDLO COC1(CO)CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000618550812 555648918 /nfs/dbraw/zinc/64/89/18/555648918.db2.gz GCLBTIOZWZMISJ-UHFFFAOYSA-N 1 2 357.794 1.660 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@]1(O)CCSC1 ZINC000619154544 555731500 /nfs/dbraw/zinc/73/15/00/555731500.db2.gz YHIVDGGTJPQDKX-INIZCTEOSA-N 1 2 353.444 1.707 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000619490752 555787616 /nfs/dbraw/zinc/78/76/16/555787616.db2.gz FYHZGVPUSNJCAV-UHFFFAOYSA-N 1 2 352.372 1.389 20 5 FDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619729376 555827431 /nfs/dbraw/zinc/82/74/31/555827431.db2.gz WPKXWNRFEMWTKF-LBPRGKRZSA-N 1 2 358.402 1.881 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000366004638 567833284 /nfs/dbraw/zinc/83/32/84/567833284.db2.gz IUPAMTRXBRWTIB-IRXDYDNUSA-N 1 2 352.387 1.862 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000366004638 567833286 /nfs/dbraw/zinc/83/32/86/567833286.db2.gz IUPAMTRXBRWTIB-IRXDYDNUSA-N 1 2 352.387 1.862 20 5 FDBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCn2c[nH+]cc2C1 ZINC000291145101 568063954 /nfs/dbraw/zinc/06/39/54/568063954.db2.gz PLKFMFZDFRKSCZ-UHFFFAOYSA-N 1 2 371.353 1.522 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000365273199 568395939 /nfs/dbraw/zinc/39/59/39/568395939.db2.gz YPAZXVWKEICCOR-HNNXBMFYSA-N 1 2 363.414 1.930 20 5 FDBDLO COCC[N@H+](CCO)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272346148 674433977 /nfs/dbraw/zinc/43/39/77/674433977.db2.gz ZNYLGALULNEOND-UHFFFAOYSA-N 1 2 364.345 1.688 20 5 FDBDLO COCC[N@@H+](CCO)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272346148 674433978 /nfs/dbraw/zinc/43/39/78/674433978.db2.gz ZNYLGALULNEOND-UHFFFAOYSA-N 1 2 364.345 1.688 20 5 FDBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272920269 674488236 /nfs/dbraw/zinc/48/82/36/674488236.db2.gz IPTBIDDMUBOERG-HIFRSBDPSA-N 1 2 352.387 1.752 20 5 FDBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272920269 674488239 /nfs/dbraw/zinc/48/82/39/674488239.db2.gz IPTBIDDMUBOERG-HIFRSBDPSA-N 1 2 352.387 1.752 20 5 FDBDLO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000273426445 674536173 /nfs/dbraw/zinc/53/61/73/674536173.db2.gz KIYOOLONDTYIEM-AWEZNQCLSA-N 1 2 352.416 1.843 20 5 FDBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nccc(-c3nn[nH]n3)c1[N+](=O)[O-])C2 ZINC000820202305 606708167 /nfs/dbraw/zinc/70/81/67/606708167.db2.gz GQKHZFVBUZNBRY-UHFFFAOYSA-N 1 2 369.389 1.590 20 5 FDBDLO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCn2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000276802743 674772260 /nfs/dbraw/zinc/77/22/60/674772260.db2.gz LAQBOSNCQMZZBI-UHFFFAOYSA-N 1 2 369.359 1.295 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1C ZINC000249132296 672545250 /nfs/dbraw/zinc/54/52/50/672545250.db2.gz DEHVIFHMLOWBTK-OLZOCXBDSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1C ZINC000249132296 672545252 /nfs/dbraw/zinc/54/52/52/672545252.db2.gz DEHVIFHMLOWBTK-OLZOCXBDSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261749269 672664470 /nfs/dbraw/zinc/66/44/70/672664470.db2.gz QBUXPBAFIYUFFG-HNNXBMFYSA-N 1 2 362.411 1.633 20 5 FDBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000267493503 673309867 /nfs/dbraw/zinc/30/98/67/673309867.db2.gz GRGDDDNZKVVONM-UHFFFAOYSA-N 1 2 358.345 1.582 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279669755 675329272 /nfs/dbraw/zinc/32/92/72/675329272.db2.gz FCWXVEVGIYCCPL-ZDUSSCGKSA-N 1 2 351.403 1.614 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284708036 675744551 /nfs/dbraw/zinc/74/45/51/675744551.db2.gz ZKDWJCNROQOBFH-CABCVRRESA-N 1 2 353.806 1.722 20 5 FDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000284708036 675744552 /nfs/dbraw/zinc/74/45/52/675744552.db2.gz ZKDWJCNROQOBFH-CABCVRRESA-N 1 2 353.806 1.722 20 5 FDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)[C@H](C)C1 ZINC000285278603 675814908 /nfs/dbraw/zinc/81/49/08/675814908.db2.gz JFHPUKWPFJGBQA-LLVKDONJSA-N 1 2 371.415 1.096 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)[C@H](C)C1 ZINC000285278603 675814909 /nfs/dbraw/zinc/81/49/09/675814909.db2.gz JFHPUKWPFJGBQA-LLVKDONJSA-N 1 2 371.415 1.096 20 5 FDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416651977 679705975 /nfs/dbraw/zinc/70/59/75/679705975.db2.gz BLABOKUVIAABTJ-KBPBESRZSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416651977 679705977 /nfs/dbraw/zinc/70/59/77/679705977.db2.gz BLABOKUVIAABTJ-KBPBESRZSA-N 1 2 371.459 1.287 20 5 FDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000366186548 677420126 /nfs/dbraw/zinc/42/01/26/677420126.db2.gz VLRZGHGWOZNFEZ-LLVKDONJSA-N 1 2 352.366 1.253 20 5 FDBDLO NS(=O)(=O)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000369664945 677507960 /nfs/dbraw/zinc/50/79/60/677507960.db2.gz QRUMFCVRZFRWDO-GFCCVEGCSA-N 1 2 364.383 1.295 20 5 FDBDLO COc1cc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000424165419 680831204 /nfs/dbraw/zinc/83/12/04/680831204.db2.gz FPPCEZXZBJJRGQ-VIFPVBQESA-N 1 2 359.329 1.587 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000412437171 679184224 /nfs/dbraw/zinc/18/42/24/679184224.db2.gz QBFGNXGRBGKUAB-UHFFFAOYSA-N 1 2 371.821 1.667 20 5 FDBDLO CCc1nn(C)c(NCC2([NH+]3CCOCC3)CCOCC2)c1[N+](=O)[O-] ZINC000413419537 679266065 /nfs/dbraw/zinc/26/60/65/679266065.db2.gz ZMFJWZZDCJAGSG-UHFFFAOYSA-N 1 2 353.423 1.184 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416032660 679547133 /nfs/dbraw/zinc/54/71/33/679547133.db2.gz YIHVNSBCWQXHRL-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO CC[C@H]1C[N@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000427737725 680982505 /nfs/dbraw/zinc/98/25/05/680982505.db2.gz WQHZPAMSWYTXOZ-AWEZNQCLSA-N 1 2 351.403 1.591 20 5 FDBDLO CC[C@H]1C[N@@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000427737725 680982507 /nfs/dbraw/zinc/98/25/07/680982507.db2.gz WQHZPAMSWYTXOZ-AWEZNQCLSA-N 1 2 351.403 1.591 20 5 FDBDLO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000429303151 681030361 /nfs/dbraw/zinc/03/03/61/681030361.db2.gz CGMCADFWGPTPNQ-UWVGGRQHSA-N 1 2 351.359 1.496 20 5 FDBDLO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443752720 682340041 /nfs/dbraw/zinc/34/00/41/682340041.db2.gz UBANLTXCCKIFCK-UHFFFAOYSA-N 1 2 364.221 1.341 20 5 FDBDLO COC(=O)CSCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448917581 682647280 /nfs/dbraw/zinc/64/72/80/682647280.db2.gz KVILMPPOQUMAMI-UHFFFAOYSA-N 1 2 364.383 1.417 20 5 FDBDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451661168 682916654 /nfs/dbraw/zinc/91/66/54/682916654.db2.gz SAPMLODKSGHBAP-CABCVRRESA-N 1 2 372.443 1.234 20 5 FDBDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451661168 682916655 /nfs/dbraw/zinc/91/66/55/682916655.db2.gz SAPMLODKSGHBAP-CABCVRRESA-N 1 2 372.443 1.234 20 5 FDBDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000483312346 686491079 /nfs/dbraw/zinc/49/10/79/686491079.db2.gz VCXYLDLGFFBTJA-YGRLFVJLSA-N 1 2 357.794 1.658 20 5 FDBDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000483312346 686491083 /nfs/dbraw/zinc/49/10/83/686491083.db2.gz VCXYLDLGFFBTJA-YGRLFVJLSA-N 1 2 357.794 1.658 20 5 FDBDLO COc1cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000485706565 686770606 /nfs/dbraw/zinc/77/06/06/686770606.db2.gz HDEBQEJVNWPXQR-ZDUSSCGKSA-N 1 2 357.432 1.507 20 5 FDBDLO COc1cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000485706565 686770610 /nfs/dbraw/zinc/77/06/10/686770610.db2.gz HDEBQEJVNWPXQR-ZDUSSCGKSA-N 1 2 357.432 1.507 20 5 FDBDLO 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/nfs/dbraw/zinc/88/70/91/540887091.db2.gz UDWJIDNTBRLXPI-HOTGVXAUSA-N 1 2 369.443 1.205 20 5 FDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000538852082 540900624 /nfs/dbraw/zinc/90/06/24/540900624.db2.gz RTVYDUCQDHJPIM-MNOVXSKESA-N 1 2 371.415 1.079 20 5 FDBDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000538852082 540900627 /nfs/dbraw/zinc/90/06/27/540900627.db2.gz RTVYDUCQDHJPIM-MNOVXSKESA-N 1 2 371.415 1.079 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000539017849 540918425 /nfs/dbraw/zinc/91/84/25/540918425.db2.gz SUFPDRNIXPBILE-RYUDHWBXSA-N 1 2 374.401 1.267 20 5 FDBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000275483148 181328909 /nfs/dbraw/zinc/32/89/09/181328909.db2.gz DYRFJZDKCAUXGM-HOCLYGCPSA-N 1 2 365.386 1.230 20 5 FDBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000275483148 181328911 /nfs/dbraw/zinc/32/89/11/181328911.db2.gz DYRFJZDKCAUXGM-HOCLYGCPSA-N 1 2 365.386 1.230 20 5 FDBDLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275687494 181387931 /nfs/dbraw/zinc/38/79/31/181387931.db2.gz QGDFCSBETOBQKV-LLVKDONJSA-N 1 2 363.823 1.247 20 5 FDBDLO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275687494 181387933 /nfs/dbraw/zinc/38/79/33/181387933.db2.gz QGDFCSBETOBQKV-LLVKDONJSA-N 1 2 363.823 1.247 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000544842892 541841094 /nfs/dbraw/zinc/84/10/94/541841094.db2.gz IFUHHLVZWLPUAE-HOTGVXAUSA-N 1 2 369.443 1.517 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282430373 182009908 /nfs/dbraw/zinc/00/99/08/182009908.db2.gz UJXSLWITYLPWGO-ZDUSSCGKSA-N 1 2 358.402 1.730 20 5 FDBDLO O=C(C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCOCC1 ZINC000284085668 182360451 /nfs/dbraw/zinc/36/04/51/182360451.db2.gz NTFURZPUHRQBAV-UHFFFAOYSA-N 1 2 369.368 1.944 20 5 FDBDLO CN1CC[N@H+](C)C[C@H]1c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000545788890 542017879 /nfs/dbraw/zinc/01/78/79/542017879.db2.gz IENSCHNDFLNVNA-HNNXBMFYSA-N 1 2 360.418 1.941 20 5 FDBDLO CN1CC[N@@H+](C)C[C@H]1c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000545788890 542017883 /nfs/dbraw/zinc/01/78/83/542017883.db2.gz IENSCHNDFLNVNA-HNNXBMFYSA-N 1 2 360.418 1.941 20 5 FDBDLO Cc1cc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000286860080 183161242 /nfs/dbraw/zinc/16/12/42/183161242.db2.gz GZVXLDLLRLSNHF-UHFFFAOYSA-N 1 2 351.403 1.509 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000546770029 542222337 /nfs/dbraw/zinc/22/23/37/542222337.db2.gz NEEVWTHEPDLUKJ-AWEZNQCLSA-N 1 2 352.354 1.825 20 5 FDBDLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000295191957 184043452 /nfs/dbraw/zinc/04/34/52/184043452.db2.gz LDYSCDPNWWMGAX-UHFFFAOYSA-N 1 2 357.367 1.293 20 5 FDBDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298025724 184377655 /nfs/dbraw/zinc/37/76/55/184377655.db2.gz FESMHRSMIMSKCE-OAHLLOKOSA-N 1 2 361.446 1.759 20 5 FDBDLO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000298111973 184394421 /nfs/dbraw/zinc/39/44/21/184394421.db2.gz OJJNZEJNCDKZJS-MRXNPFEDSA-N 1 2 372.425 1.860 20 5 FDBDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172996218 258289145 /nfs/dbraw/zinc/28/91/45/258289145.db2.gz JFPFUCULKMMKPX-UHFFFAOYSA-N 1 2 362.430 1.150 20 5 FDBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000548282558 542611277 /nfs/dbraw/zinc/61/12/77/542611277.db2.gz BXMJNCVFDVFYSS-ZDUSSCGKSA-N 1 2 371.401 1.033 20 5 FDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000173209815 258293550 /nfs/dbraw/zinc/29/35/50/258293550.db2.gz RIRIAEMORFIVSY-QGZVFWFLSA-N 1 2 365.455 1.461 20 5 FDBDLO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000548418203 542662311 /nfs/dbraw/zinc/66/23/11/542662311.db2.gz OTNIBTRYEAJURQ-OLZOCXBDSA-N 1 2 351.313 1.771 20 5 FDBDLO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000548418203 542662317 /nfs/dbraw/zinc/66/23/17/542662317.db2.gz OTNIBTRYEAJURQ-OLZOCXBDSA-N 1 2 351.313 1.771 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548748261 542770538 /nfs/dbraw/zinc/77/05/38/542770538.db2.gz YYZSAGJMYRTVNR-AWEZNQCLSA-N 1 2 373.413 1.681 20 5 FDBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000548927674 542809041 /nfs/dbraw/zinc/80/90/41/542809041.db2.gz KVKCLEVLKNLPKA-OAHLLOKOSA-N 1 2 359.386 1.430 20 5 FDBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000549444153 542885938 /nfs/dbraw/zinc/88/59/38/542885938.db2.gz SCACHQDOPSURRM-UHFFFAOYSA-N 1 2 360.418 1.642 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000549832993 542951116 /nfs/dbraw/zinc/95/11/16/542951116.db2.gz INUQJFBPSYZHJT-OAHLLOKOSA-N 1 2 374.401 1.263 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000549832993 542951119 /nfs/dbraw/zinc/95/11/19/542951119.db2.gz INUQJFBPSYZHJT-OAHLLOKOSA-N 1 2 374.401 1.263 20 5 FDBDLO O=C(CO)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000551584209 543306470 /nfs/dbraw/zinc/30/64/70/543306470.db2.gz VQYCLGDPJGATQR-UHFFFAOYSA-N 1 2 361.423 1.960 20 5 FDBDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000072553547 172043573 /nfs/dbraw/zinc/04/35/73/172043573.db2.gz FPZSMDZWXAOFEC-CABCVRRESA-N 1 2 362.430 1.401 20 5 FDBDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000072553548 172043591 /nfs/dbraw/zinc/04/35/91/172043591.db2.gz FPZSMDZWXAOFEC-LSDHHAIUSA-N 1 2 362.430 1.401 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](CCO)CC1 ZINC000087084088 172225194 /nfs/dbraw/zinc/22/51/94/172225194.db2.gz RKWZTEVSMAHYDP-UHFFFAOYSA-N 1 2 358.192 1.107 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304564 172241172 /nfs/dbraw/zinc/24/11/72/172241172.db2.gz CJODNXWUFRRNAB-UHFFFAOYSA-N 1 2 369.425 1.471 20 5 FDBDLO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000104599240 172382316 /nfs/dbraw/zinc/38/23/16/172382316.db2.gz SQWQJGPOOPQAIP-NEPJUHHUSA-N 1 2 355.366 1.338 20 5 FDBDLO COc1cc(C[NH+]2CCN(c3cccnn3)CC2)c([N+](=O)[O-])cc1OC ZINC000127961013 173096335 /nfs/dbraw/zinc/09/63/35/173096335.db2.gz CWVXDVSTLJQGPR-UHFFFAOYSA-N 1 2 359.386 1.724 20 5 FDBDLO CN1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C1=O ZINC000130039936 173158661 /nfs/dbraw/zinc/15/86/61/173158661.db2.gz GYNSQWYLSHEQLM-UHFFFAOYSA-N 1 2 362.386 1.445 20 5 FDBDLO CN1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C1=O ZINC000130039936 173158665 /nfs/dbraw/zinc/15/86/65/173158665.db2.gz GYNSQWYLSHEQLM-UHFFFAOYSA-N 1 2 362.386 1.445 20 5 FDBDLO Nc1nc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)ncc1[N+](=O)[O-] ZINC000135453000 173345283 /nfs/dbraw/zinc/34/52/83/173345283.db2.gz MIMKNKOFWZNZOB-UHFFFAOYSA-N 1 2 373.417 1.091 20 5 FDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136373002 173360294 /nfs/dbraw/zinc/36/02/94/173360294.db2.gz WFHGGWGRZAAJGG-UHFFFAOYSA-N 1 2 368.821 1.532 20 5 FDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136373002 173360296 /nfs/dbraw/zinc/36/02/96/173360296.db2.gz WFHGGWGRZAAJGG-UHFFFAOYSA-N 1 2 368.821 1.532 20 5 FDBDLO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000150720408 173378499 /nfs/dbraw/zinc/37/84/99/173378499.db2.gz SOQRCYIGWYVMHD-LBPRGKRZSA-N 1 2 355.822 1.875 20 5 FDBDLO COCCc1noc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000150981701 173387149 /nfs/dbraw/zinc/38/71/49/173387149.db2.gz FKIHXQDVQAAGIT-UHFFFAOYSA-N 1 2 363.374 1.627 20 5 FDBDLO COCCc1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000150981701 173387151 /nfs/dbraw/zinc/38/71/51/173387151.db2.gz FKIHXQDVQAAGIT-UHFFFAOYSA-N 1 2 363.374 1.627 20 5 FDBDLO COc1cc(C(=O)N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)ccc1C 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/nfs/dbraw/zinc/56/63/39/545566339.db2.gz NEGLKGUCHWVKCZ-NSHDSACASA-N 1 2 369.805 1.863 20 5 FDBDLO CNc1c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cccc1[N+](=O)[O-] ZINC000462754991 538655637 /nfs/dbraw/zinc/65/56/37/538655637.db2.gz RVOLMYNOBJDCOF-UHFFFAOYSA-N 1 2 356.386 1.697 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000561200964 545741793 /nfs/dbraw/zinc/74/17/93/545741793.db2.gz QPQGSXNXBDJQLA-NWDGAFQWSA-N 1 2 363.370 1.259 20 5 FDBDLO Cc1c(CNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000561638228 545916467 /nfs/dbraw/zinc/91/64/67/545916467.db2.gz GEAVDPVDSCFFOQ-HNNXBMFYSA-N 1 2 371.397 1.996 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000562530880 546168741 /nfs/dbraw/zinc/16/87/41/546168741.db2.gz IDQANAASCAUPMK-LBPRGKRZSA-N 1 2 368.357 1.313 20 5 FDBDLO COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000564627997 546977492 /nfs/dbraw/zinc/97/74/92/546977492.db2.gz BSUJHCVGSADQAK-CABCVRRESA-N 1 2 363.414 1.977 20 5 FDBDLO COc1cc(OCC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000565497932 547374716 /nfs/dbraw/zinc/37/47/16/547374716.db2.gz XIROXMAEFCJKOI-INIZCTEOSA-N 1 2 360.370 1.983 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCO1 ZINC000569554649 548958008 /nfs/dbraw/zinc/95/80/08/548958008.db2.gz CEYWMDZMBAREID-GFCCVEGCSA-N 1 2 369.443 1.130 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCO1 ZINC000569554649 548958010 /nfs/dbraw/zinc/95/80/10/548958010.db2.gz CEYWMDZMBAREID-GFCCVEGCSA-N 1 2 369.443 1.130 20 5 FDBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cs1 ZINC000570241121 549208916 /nfs/dbraw/zinc/20/89/16/549208916.db2.gz BOJMGWVMOJTAEQ-LLVKDONJSA-N 1 2 359.473 1.950 20 5 FDBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cs1 ZINC000570241121 549208921 /nfs/dbraw/zinc/20/89/21/549208921.db2.gz BOJMGWVMOJTAEQ-LLVKDONJSA-N 1 2 359.473 1.950 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nccc(C(F)F)n1 ZINC000570836572 549430401 /nfs/dbraw/zinc/43/04/01/549430401.db2.gz GSSOQHFXZKUVTK-SNVBAGLBSA-N 1 2 354.313 1.852 20 5 FDBDLO Cc1c(CNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000571434830 549644421 /nfs/dbraw/zinc/64/44/21/549644421.db2.gz MPPGEGAQRHFJFA-UHFFFAOYSA-N 1 2 371.397 1.649 20 5 FDBDLO Cc1c(CNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000571434830 549644423 /nfs/dbraw/zinc/64/44/23/549644423.db2.gz MPPGEGAQRHFJFA-UHFFFAOYSA-N 1 2 371.397 1.649 20 5 FDBDLO C[C@H](CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)n1cc[nH+]c1 ZINC000571527057 549678098 /nfs/dbraw/zinc/67/80/98/549678098.db2.gz QEMNFFRXCRWWJB-CQSZACIVSA-N 1 2 371.397 1.727 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000571653575 549723374 /nfs/dbraw/zinc/72/33/74/549723374.db2.gz JGARTHBKLHVYPF-MRXNPFEDSA-N 1 2 373.413 1.941 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](N4CCOCC4)C3)n2)cc1 ZINC000571653575 549723377 /nfs/dbraw/zinc/72/33/77/549723377.db2.gz JGARTHBKLHVYPF-MRXNPFEDSA-N 1 2 373.413 1.941 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]([NH+]4CCOCC4)C3)n2)cc1 ZINC000571653575 549723380 /nfs/dbraw/zinc/72/33/80/549723380.db2.gz JGARTHBKLHVYPF-MRXNPFEDSA-N 1 2 373.413 1.941 20 5 FDBDLO COC(=O)[C@H](C)NC(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000574613355 550341906 /nfs/dbraw/zinc/34/19/06/550341906.db2.gz JMMYTBXXVJZSEF-NSHDSACASA-N 1 2 373.369 1.103 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000576271969 550530258 /nfs/dbraw/zinc/53/02/58/550530258.db2.gz NFEPVUXWMIKLNN-GFCCVEGCSA-N 1 2 372.303 1.933 20 5 FDBDLO Cc1nc(N)c(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000576519737 550558120 /nfs/dbraw/zinc/55/81/20/550558120.db2.gz MYOVILPMOMQCMP-UHFFFAOYSA-N 1 2 365.777 2.014 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1[N+](=O)[O-] ZINC000577058267 550615685 /nfs/dbraw/zinc/61/56/85/550615685.db2.gz FXEVBSZQGGIRSG-CQSZACIVSA-N 1 2 371.459 1.234 20 5 FDBDLO COC(=O)[C@@](C)([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000577074092 550617736 /nfs/dbraw/zinc/61/77/36/550617736.db2.gz VLSKQLOLOULTDY-KRWDZBQOSA-N 1 2 365.386 1.863 20 5 FDBDLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000587044907 551629627 /nfs/dbraw/zinc/62/96/27/551629627.db2.gz CFGFATZRQWNKQF-LBPRGKRZSA-N 1 2 353.342 1.117 20 5 FDBDLO CCOc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])cc1OC ZINC000587061499 551630226 /nfs/dbraw/zinc/63/02/26/551630226.db2.gz FIYFCBSSUCJSIS-NSHDSACASA-N 1 2 360.370 1.943 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000589510492 551734356 /nfs/dbraw/zinc/73/43/56/551734356.db2.gz UHXFILNHLQCPSO-UHFFFAOYSA-N 1 2 371.397 1.802 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000590053454 551758275 /nfs/dbraw/zinc/75/82/75/551758275.db2.gz MHTZJBRUZDBGSZ-LLVKDONJSA-N 1 2 356.400 1.248 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000590053454 551758276 /nfs/dbraw/zinc/75/82/76/551758276.db2.gz MHTZJBRUZDBGSZ-LLVKDONJSA-N 1 2 356.400 1.248 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CC2 ZINC000591017346 551836056 /nfs/dbraw/zinc/83/60/56/551836056.db2.gz LMFKIVYXNBSJOR-UHFFFAOYSA-N 1 2 357.370 1.697 20 5 FDBDLO CN(C)S(=O)(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591139102 551846627 /nfs/dbraw/zinc/84/66/27/551846627.db2.gz HLZZQQLHBQKRSV-UHFFFAOYSA-N 1 2 365.415 1.071 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](O)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000592004397 551925307 /nfs/dbraw/zinc/92/53/07/551925307.db2.gz LFNUOGZGMSKBEV-HIFRSBDPSA-N 1 2 372.381 1.720 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000592528705 552005426 /nfs/dbraw/zinc/00/54/26/552005426.db2.gz AWQGFMQMQFDBGY-PWSUYJOCSA-N 1 2 360.313 1.552 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000592528705 552005427 /nfs/dbraw/zinc/00/54/27/552005427.db2.gz AWQGFMQMQFDBGY-PWSUYJOCSA-N 1 2 360.313 1.552 20 5 FDBDLO CCCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592830932 552033328 /nfs/dbraw/zinc/03/33/28/552033328.db2.gz IJUZIEOPJAQAQG-CYBMUJFWSA-N 1 2 369.443 1.555 20 5 FDBDLO CCCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592830932 552033329 /nfs/dbraw/zinc/03/33/29/552033329.db2.gz IJUZIEOPJAQAQG-CYBMUJFWSA-N 1 2 369.443 1.555 20 5 FDBDLO O=C1C[C@@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593000023 552052344 /nfs/dbraw/zinc/05/23/44/552052344.db2.gz IUFPFEPHUQOMJQ-IUODEOHRSA-N 1 2 351.309 1.958 20 5 FDBDLO O=C1C[C@@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593000023 552052346 /nfs/dbraw/zinc/05/23/46/552052346.db2.gz IUFPFEPHUQOMJQ-IUODEOHRSA-N 1 2 351.309 1.958 20 5 FDBDLO COc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000593085717 552059645 /nfs/dbraw/zinc/05/96/45/552059645.db2.gz VVJGPCWDSJEEPD-LBPRGKRZSA-N 1 2 351.403 1.882 20 5 FDBDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593118153 552064538 /nfs/dbraw/zinc/06/45/38/552064538.db2.gz SJSOPHKBWGUULX-XNRPHZJLSA-N 1 2 352.387 1.213 20 5 FDBDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@H]2O1 ZINC000593118153 552064539 /nfs/dbraw/zinc/06/45/39/552064539.db2.gz SJSOPHKBWGUULX-XNRPHZJLSA-N 1 2 352.387 1.213 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593182215 552070738 /nfs/dbraw/zinc/07/07/38/552070738.db2.gz BNQQVFBWCHLIHM-UHFFFAOYSA-N 1 2 352.391 1.407 20 5 FDBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000593529362 552123932 /nfs/dbraw/zinc/12/39/32/552123932.db2.gz OMYGWHHWBPQATK-GFCCVEGCSA-N 1 2 356.429 1.633 20 5 FDBDLO CCN1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000593826385 552203751 /nfs/dbraw/zinc/20/37/51/552203751.db2.gz XLFJBPBCFQMDTF-GFCCVEGCSA-N 1 2 357.370 1.379 20 5 FDBDLO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000593884000 552216712 /nfs/dbraw/zinc/21/67/12/552216712.db2.gz PWLCGQQPFINREJ-UHFFFAOYSA-N 1 2 369.443 1.556 20 5 FDBDLO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](O)C(F)(F)F ZINC000594018061 552238644 /nfs/dbraw/zinc/23/86/44/552238644.db2.gz QBQHFDVQKCFVDF-ZDUSSCGKSA-N 1 2 352.309 1.975 20 5 FDBDLO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](O)C(F)(F)F ZINC000594018061 552238647 /nfs/dbraw/zinc/23/86/47/552238647.db2.gz QBQHFDVQKCFVDF-ZDUSSCGKSA-N 1 2 352.309 1.975 20 5 FDBDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768576 552377670 /nfs/dbraw/zinc/37/76/70/552377670.db2.gz WNTCTFHXDKQGLI-NWDGAFQWSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768576 552377671 /nfs/dbraw/zinc/37/76/71/552377671.db2.gz WNTCTFHXDKQGLI-NWDGAFQWSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768582 552377771 /nfs/dbraw/zinc/37/77/71/552377771.db2.gz WPQWNMBEZQABDZ-VXGBXAGGSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768582 552377773 /nfs/dbraw/zinc/37/77/73/552377773.db2.gz WPQWNMBEZQABDZ-VXGBXAGGSA-N 1 2 364.427 1.856 20 5 FDBDLO CC(C)n1ccnc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594941955 552425298 /nfs/dbraw/zinc/42/52/98/552425298.db2.gz DEPHWTYTFYEVCF-UHFFFAOYSA-N 1 2 352.416 1.936 20 5 FDBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595330702 552527465 /nfs/dbraw/zinc/52/74/65/552527465.db2.gz NRFARIKXTAKGJU-JKSUJKDBSA-N 1 2 370.427 1.250 20 5 FDBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1[N+](=O)[O-] ZINC000595415845 552555403 /nfs/dbraw/zinc/55/54/03/552555403.db2.gz RLLIYBXSLYFRNS-SNVBAGLBSA-N 1 2 368.415 1.992 20 5 FDBDLO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595415945 552555508 /nfs/dbraw/zinc/55/55/08/552555508.db2.gz SVDYXOSSUSRSHT-VIFPVBQESA-N 1 2 354.388 1.650 20 5 FDBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000595528403 552579205 /nfs/dbraw/zinc/57/92/05/552579205.db2.gz SFWJFHLYMPHYQP-UHFFFAOYSA-N 1 2 371.397 1.813 20 5 FDBDLO COc1cc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000595545500 552581631 /nfs/dbraw/zinc/58/16/31/552581631.db2.gz IGERWTVHFCYRIR-UHFFFAOYSA-N 1 2 370.387 1.002 20 5 FDBDLO COc1cc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000595545500 552581633 /nfs/dbraw/zinc/58/16/33/552581633.db2.gz IGERWTVHFCYRIR-UHFFFAOYSA-N 1 2 370.387 1.002 20 5 FDBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[C@H]1O ZINC000595751316 552611183 /nfs/dbraw/zinc/61/11/83/552611183.db2.gz UCKFENGNPSIBBO-ORMTXKICSA-N 1 2 351.359 1.211 20 5 FDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)[C@H]1O ZINC000595751316 552611185 /nfs/dbraw/zinc/61/11/85/552611185.db2.gz UCKFENGNPSIBBO-ORMTXKICSA-N 1 2 351.359 1.211 20 5 FDBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)O1 ZINC000595780728 552614394 /nfs/dbraw/zinc/61/43/94/552614394.db2.gz LVSPJUZMSXACKH-MNOVXSKESA-N 1 2 351.359 1.761 20 5 FDBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H](C)O1 ZINC000595780728 552614395 /nfs/dbraw/zinc/61/43/95/552614395.db2.gz LVSPJUZMSXACKH-MNOVXSKESA-N 1 2 351.359 1.761 20 5 FDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000595823890 552619670 /nfs/dbraw/zinc/61/96/70/552619670.db2.gz SFPGGOMPUCZCEQ-CQSZACIVSA-N 1 2 374.401 1.833 20 5 FDBDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000595823890 552619671 /nfs/dbraw/zinc/61/96/71/552619671.db2.gz SFPGGOMPUCZCEQ-CQSZACIVSA-N 1 2 374.401 1.833 20 5 FDBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(N)c([N+](=O)[O-])n2)cc1 ZINC000596064126 552651665 /nfs/dbraw/zinc/65/16/65/552651665.db2.gz SSDZRITVPUIYJO-INIZCTEOSA-N 1 2 357.414 2.366 20 5 FDBDLO Cc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)[NH+]2CCOCC2)cc1 ZINC000596084579 552653794 /nfs/dbraw/zinc/65/37/94/552653794.db2.gz CEEGQKJFNNIJPD-INIZCTEOSA-N 1 2 357.414 2.366 20 5 FDBDLO COc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596159906 552660973 /nfs/dbraw/zinc/66/09/73/552660973.db2.gz RLURVOQNSHSHMW-NSHDSACASA-N 1 2 359.810 1.386 20 5 FDBDLO COC(=O)Cc1ccc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596426884 552678263 /nfs/dbraw/zinc/67/82/63/552678263.db2.gz CPADBAZISSWFRO-OLZOCXBDSA-N 1 2 351.403 1.831 20 5 FDBDLO COC(=O)Cc1ccc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])c1 ZINC000596426884 552678264 /nfs/dbraw/zinc/67/82/64/552678264.db2.gz CPADBAZISSWFRO-OLZOCXBDSA-N 1 2 351.403 1.831 20 5 FDBDLO O=C1CC[C@H]2CN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000596460695 552681306 /nfs/dbraw/zinc/68/13/06/552681306.db2.gz UBZCLYDLWRJSHB-JKSUJKDBSA-N 1 2 374.441 1.532 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596625950 552694921 /nfs/dbraw/zinc/69/49/21/552694921.db2.gz HJWNUHOUYLWHEF-NWDGAFQWSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596625950 552694923 /nfs/dbraw/zinc/69/49/23/552694923.db2.gz HJWNUHOUYLWHEF-NWDGAFQWSA-N 1 2 352.391 1.834 20 5 FDBDLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597265214 552766845 /nfs/dbraw/zinc/76/68/45/552766845.db2.gz QSQRCESRDQSMOH-NEPJUHHUSA-N 1 2 356.386 1.531 20 5 FDBDLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597265214 552766846 /nfs/dbraw/zinc/76/68/46/552766846.db2.gz QSQRCESRDQSMOH-NEPJUHHUSA-N 1 2 356.386 1.531 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000597845482 552839720 /nfs/dbraw/zinc/83/97/20/552839720.db2.gz HTZDYBMKLDSEPT-OAHLLOKOSA-N 1 2 362.386 1.583 20 5 FDBDLO CO[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000597877083 552843082 /nfs/dbraw/zinc/84/30/82/552843082.db2.gz CACNCADFDVBCKW-XJKSGUPXSA-N 1 2 360.370 1.562 20 5 FDBDLO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000597991745 552853664 /nfs/dbraw/zinc/85/36/64/552853664.db2.gz QMZRFNXNTOOZBP-INIZCTEOSA-N 1 2 371.393 1.797 20 5 FDBDLO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000597991745 552853665 /nfs/dbraw/zinc/85/36/65/552853665.db2.gz QMZRFNXNTOOZBP-INIZCTEOSA-N 1 2 371.393 1.797 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)CO1 ZINC000597994985 552854356 /nfs/dbraw/zinc/85/43/56/552854356.db2.gz CVVJRAGZKAEOHC-QWHCGFSZSA-N 1 2 358.398 1.982 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)CO1 ZINC000597994985 552854357 /nfs/dbraw/zinc/85/43/57/552854357.db2.gz CVVJRAGZKAEOHC-QWHCGFSZSA-N 1 2 358.398 1.982 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597996614 552854752 /nfs/dbraw/zinc/85/47/52/552854752.db2.gz KCDYYJMFCVSODS-KGLIPLIRSA-N 1 2 373.413 1.620 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597996614 552854754 /nfs/dbraw/zinc/85/47/54/552854754.db2.gz KCDYYJMFCVSODS-KGLIPLIRSA-N 1 2 373.413 1.620 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)CO1 ZINC000597999206 552855452 /nfs/dbraw/zinc/85/54/52/552855452.db2.gz REZCWZNYURJBCU-QWRGUYRKSA-N 1 2 351.359 1.163 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)CO1 ZINC000597999206 552855454 /nfs/dbraw/zinc/85/54/54/552855454.db2.gz REZCWZNYURJBCU-QWRGUYRKSA-N 1 2 351.359 1.163 20 5 FDBDLO CO[C@@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598000113 552855543 /nfs/dbraw/zinc/85/55/43/552855543.db2.gz ZBAXGVZFOOEIER-KRWDZBQOSA-N 1 2 360.370 1.394 20 5 FDBDLO CO[C@]1(CO)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598000114 552855727 /nfs/dbraw/zinc/85/57/27/552855727.db2.gz ZBAXGVZFOOEIER-QGZVFWFLSA-N 1 2 360.370 1.394 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)CO1 ZINC000598001290 552855995 /nfs/dbraw/zinc/85/59/95/552855995.db2.gz YVRLHHWDAJEZIK-STQMWFEESA-N 1 2 360.414 1.844 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)CO1 ZINC000598001290 552855996 /nfs/dbraw/zinc/85/59/96/552855996.db2.gz YVRLHHWDAJEZIK-STQMWFEESA-N 1 2 360.414 1.844 20 5 FDBDLO O=[N+]([O-])c1c(NCC[NH+]2Cc3ccccc3C2)ncnc1N1CCOCC1 ZINC000598594192 552912869 /nfs/dbraw/zinc/91/28/69/552912869.db2.gz ZJDDMKOFVUSJRS-UHFFFAOYSA-N 1 2 370.413 1.649 20 5 FDBDLO CC1(C)CC[C@@H](CO)[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000598648091 552919649 /nfs/dbraw/zinc/91/96/49/552919649.db2.gz NQNROYLHOYKYAY-NSHDSACASA-N 1 2 365.386 1.745 20 5 FDBDLO CC1(C)CC[C@@H](CO)[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000598648091 552919651 /nfs/dbraw/zinc/91/96/51/552919651.db2.gz NQNROYLHOYKYAY-NSHDSACASA-N 1 2 365.386 1.745 20 5 FDBDLO Nc1nsc(N2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n1 ZINC000599063260 552963963 /nfs/dbraw/zinc/96/39/63/552963963.db2.gz YEZVXZVQRKTSNJ-UHFFFAOYSA-N 1 2 357.399 1.903 20 5 FDBDLO COC(=O)c1cn([C@@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)nn1 ZINC000599067643 552964229 /nfs/dbraw/zinc/96/42/29/552964229.db2.gz XROANJVHLVALAX-GFCCVEGCSA-N 1 2 368.353 1.973 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)n1 ZINC000599129568 552971093 /nfs/dbraw/zinc/97/10/93/552971093.db2.gz AGUGGTCCCOVBNN-QGZVFWFLSA-N 1 2 350.419 1.634 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)n1 ZINC000599129568 552971097 /nfs/dbraw/zinc/97/10/97/552971097.db2.gz AGUGGTCCCOVBNN-QGZVFWFLSA-N 1 2 350.419 1.634 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500061 553074577 /nfs/dbraw/zinc/07/45/77/553074577.db2.gz NYNZKEOQIJUJEV-UHFFFAOYSA-N 1 2 369.443 1.389 20 5 FDBDLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000599570372 553091620 /nfs/dbraw/zinc/09/16/20/553091620.db2.gz RCGMZTDHEGKQER-SJKOYZFVSA-N 1 2 365.386 1.494 20 5 FDBDLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000599570372 553091622 /nfs/dbraw/zinc/09/16/22/553091622.db2.gz RCGMZTDHEGKQER-SJKOYZFVSA-N 1 2 365.386 1.494 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599640940 553110726 /nfs/dbraw/zinc/11/07/26/553110726.db2.gz LHRUTZMXHGBVDN-HNNXBMFYSA-N 1 2 369.381 1.817 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599640940 553110727 /nfs/dbraw/zinc/11/07/27/553110727.db2.gz LHRUTZMXHGBVDN-HNNXBMFYSA-N 1 2 369.381 1.817 20 5 FDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599643321 553111720 /nfs/dbraw/zinc/11/17/20/553111720.db2.gz RXBKMTOWIHVTPJ-ZDUSSCGKSA-N 1 2 353.350 1.953 20 5 FDBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCO[C@@H](CCF)C1 ZINC000599643321 553111721 /nfs/dbraw/zinc/11/17/21/553111721.db2.gz RXBKMTOWIHVTPJ-ZDUSSCGKSA-N 1 2 353.350 1.953 20 5 FDBDLO COC(=O)[C@@](C)(NCC[N@@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651733 553113210 /nfs/dbraw/zinc/11/32/10/553113210.db2.gz JLNBINGXUMYEJS-DYVFJYSZSA-N 1 2 351.403 1.293 20 5 FDBDLO COC(=O)[C@@](C)(NCC[N@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651733 553113211 /nfs/dbraw/zinc/11/32/11/553113211.db2.gz JLNBINGXUMYEJS-DYVFJYSZSA-N 1 2 351.403 1.293 20 5 FDBDLO COC(=O)[C@](C)(NCC[N@@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651732 553113218 /nfs/dbraw/zinc/11/32/18/553113218.db2.gz JLNBINGXUMYEJS-CXAGYDPISA-N 1 2 351.403 1.293 20 5 FDBDLO COC(=O)[C@](C)(NCC[N@H+]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599651732 553113219 /nfs/dbraw/zinc/11/32/19/553113219.db2.gz 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/nfs/dbraw/zinc/31/70/08/181317008.db2.gz FLBJLABEUJJRIS-JEKXNZCQSA-N 1 2 357.407 1.904 20 5 FDBDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1=O ZINC000542119655 541340886 /nfs/dbraw/zinc/34/08/86/541340886.db2.gz IFDYDMJNPASKHU-LBPRGKRZSA-N 1 2 364.793 1.980 20 5 FDBDLO CC(C)N1C(=O)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000542276953 541371150 /nfs/dbraw/zinc/37/11/50/541371150.db2.gz GPWCBHUULQYENZ-AWEZNQCLSA-N 1 2 365.430 1.666 20 5 FDBDLO CC(C)N1C(=O)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000542276953 541371155 /nfs/dbraw/zinc/37/11/55/541371155.db2.gz GPWCBHUULQYENZ-AWEZNQCLSA-N 1 2 365.430 1.666 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000543840091 541670736 /nfs/dbraw/zinc/67/07/36/541670736.db2.gz YOPMGCQRBADPGB-LLVKDONJSA-N 1 2 355.192 1.914 20 5 FDBDLO NC(=O)C1([NH2+]CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000544443019 541769565 /nfs/dbraw/zinc/76/95/65/541769565.db2.gz SCWFLDYKVDVYEK-UHFFFAOYSA-N 1 2 361.383 1.264 20 5 FDBDLO CC(=O)c1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000283671619 182247172 /nfs/dbraw/zinc/24/71/72/182247172.db2.gz WSYUPOBBYGYJNS-UHFFFAOYSA-N 1 2 374.441 1.932 20 5 FDBDLO CC(=O)c1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000283671619 182247173 /nfs/dbraw/zinc/24/71/73/182247173.db2.gz WSYUPOBBYGYJNS-UHFFFAOYSA-N 1 2 374.441 1.932 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000545504713 541990173 /nfs/dbraw/zinc/99/01/73/541990173.db2.gz DDAIVFSHTPALTD-BXUZGUMPSA-N 1 2 361.402 1.458 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000545504713 541990179 /nfs/dbraw/zinc/99/01/79/541990179.db2.gz DDAIVFSHTPALTD-BXUZGUMPSA-N 1 2 361.402 1.458 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000546211572 542125528 /nfs/dbraw/zinc/12/55/28/542125528.db2.gz RUTSFZDOXYFHRA-XJKSGUPXSA-N 1 2 373.413 1.236 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000546211572 542125531 /nfs/dbraw/zinc/12/55/31/542125531.db2.gz RUTSFZDOXYFHRA-XJKSGUPXSA-N 1 2 373.413 1.236 20 5 FDBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc2c1OCO2 ZINC000546504378 542156444 /nfs/dbraw/zinc/15/64/44/542156444.db2.gz YZBDYZCJURJTBU-ZDUSSCGKSA-N 1 2 360.326 1.909 20 5 FDBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc2c1OCO2 ZINC000546504378 542156448 /nfs/dbraw/zinc/15/64/48/542156448.db2.gz YZBDYZCJURJTBU-ZDUSSCGKSA-N 1 2 360.326 1.909 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000286550232 183093751 /nfs/dbraw/zinc/09/37/51/183093751.db2.gz XGOYJLFQILYRDJ-CABCVRRESA-N 1 2 374.401 1.086 20 5 FDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000286550232 183093753 /nfs/dbraw/zinc/09/37/53/183093753.db2.gz XGOYJLFQILYRDJ-CABCVRRESA-N 1 2 374.401 1.086 20 5 FDBDLO 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ZINC000295837643 184108394 /nfs/dbraw/zinc/10/83/94/184108394.db2.gz CTWSNLGVSBSYGD-NSHDSACASA-N 1 2 355.366 1.535 20 5 FDBDLO Cc1nn(C)c2ncc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)cc12 ZINC000295979257 184119512 /nfs/dbraw/zinc/11/95/12/184119512.db2.gz JYYKBUZCEXDZMX-UHFFFAOYSA-N 1 2 367.413 1.902 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297813555 184334236 /nfs/dbraw/zinc/33/42/36/184334236.db2.gz IQLYXCZNQUDOBE-JTQLQIEISA-N 1 2 370.793 1.024 20 5 FDBDLO Cn1cc(-c2cc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)on2)cn1 ZINC000298068926 184386565 /nfs/dbraw/zinc/38/65/65/184386565.db2.gz KVUZMIFHCCZKQZ-UHFFFAOYSA-N 1 2 369.385 1.701 20 5 FDBDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000120405425 258261257 /nfs/dbraw/zinc/26/12/57/258261257.db2.gz LODZFQSXSFXRJY-UHFFFAOYSA-N 1 2 374.397 1.923 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000172615801 258280979 /nfs/dbraw/zinc/28/09/79/258280979.db2.gz NZRBTIJXAZLRBA-LBPRGKRZSA-N 1 2 357.432 1.150 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000173076264 258290831 /nfs/dbraw/zinc/29/08/31/258290831.db2.gz AZHFAGHXBNACAP-LLVKDONJSA-N 1 2 366.447 1.125 20 5 FDBDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000548944966 542812134 /nfs/dbraw/zinc/81/21/34/542812134.db2.gz UTDAXXCHBBJNQF-UHFFFAOYSA-N 1 2 357.330 1.283 20 5 FDBDLO CCn1cc(S(=O)(=O)NCc2cn3cc(C)ccc3[nH+]2)c([N+](=O)[O-])n1 ZINC000549909306 542964340 /nfs/dbraw/zinc/96/43/40/542964340.db2.gz FYPWKDVLAVEIBZ-UHFFFAOYSA-N 1 2 364.387 1.246 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552047269 543411001 /nfs/dbraw/zinc/41/10/01/543411001.db2.gz GCKKMBZXGYHQEY-SJORKVTESA-N 1 2 360.414 1.795 20 5 FDBDLO C[C@@H]1CN(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000552046622 543411114 /nfs/dbraw/zinc/41/11/14/543411114.db2.gz MOUSVTGABYDZIT-PBHICJAKSA-N 1 2 359.430 1.728 20 5 FDBDLO C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1[nH]cc[nH+]1 ZINC000552558038 543485035 /nfs/dbraw/zinc/48/50/35/543485035.db2.gz XFNNVNXGDXKDBC-SNVBAGLBSA-N 1 2 359.342 1.883 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000553064429 543561578 /nfs/dbraw/zinc/56/15/78/543561578.db2.gz QQNXJQHTGHSERJ-UHFFFAOYSA-N 1 2 369.385 1.299 20 5 FDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000088305384 172231748 /nfs/dbraw/zinc/23/17/48/172231748.db2.gz BTDZDHOSQGAMPD-OAHLLOKOSA-N 1 2 374.441 1.292 20 5 FDBDLO CC(C)(C)OC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090552916 172266174 /nfs/dbraw/zinc/26/61/74/172266174.db2.gz GIICBCZWFCZNSP-UHFFFAOYSA-N 1 2 352.391 1.309 20 5 FDBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000104138943 172376018 /nfs/dbraw/zinc/37/60/18/172376018.db2.gz IIXPIIRUOHMRNH-UHFFFAOYSA-N 1 2 355.398 1.838 20 5 FDBDLO 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/nfs/dbraw/zinc/43/74/07/537437407.db2.gz BSKONZWXIYUOPK-UHFFFAOYSA-N 1 2 365.386 1.176 20 5 FDBDLO O=C(CN1CC[NH+](Cc2ccco2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000280984095 537489042 /nfs/dbraw/zinc/48/90/42/537489042.db2.gz MVVPDCPQWQMDDI-UHFFFAOYSA-N 1 2 370.409 1.895 20 5 FDBDLO O=C(C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCCC1 ZINC000285116376 537615402 /nfs/dbraw/zinc/61/54/02/537615402.db2.gz IEPHEXXWRXUJNZ-UHFFFAOYSA-N 1 2 368.384 1.613 20 5 FDBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000285152745 537636408 /nfs/dbraw/zinc/63/64/08/537636408.db2.gz UGALMDPUXCWAQU-OAHLLOKOSA-N 1 2 351.359 1.473 20 5 FDBDLO CC(C)(NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000291819292 537680547 /nfs/dbraw/zinc/68/05/47/537680547.db2.gz FABDLANADKMXKJ-UHFFFAOYSA-N 1 2 371.459 1.472 20 5 FDBDLO O=C(CCc1c[nH+]c[nH]1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294408630 537692000 /nfs/dbraw/zinc/69/20/00/537692000.db2.gz DYSUVSMXCPCFAE-UHFFFAOYSA-N 1 2 357.370 1.235 20 5 FDBDLO O=C(CCc1c[nH]c[nH+]1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000294408630 537692002 /nfs/dbraw/zinc/69/20/02/537692002.db2.gz DYSUVSMXCPCFAE-UHFFFAOYSA-N 1 2 357.370 1.235 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1F ZINC000412348908 537972261 /nfs/dbraw/zinc/97/22/61/537972261.db2.gz ZRFGQOQSVPLDGT-KBPBESRZSA-N 1 2 367.377 1.217 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1F ZINC000412348908 537972272 /nfs/dbraw/zinc/97/22/72/537972272.db2.gz ZRFGQOQSVPLDGT-KBPBESRZSA-N 1 2 367.377 1.217 20 5 FDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000377563796 537978566 /nfs/dbraw/zinc/97/85/66/537978566.db2.gz GVJUNIXROJVEBV-CABCVRRESA-N 1 2 359.386 1.142 20 5 FDBDLO CC[C@H](C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)OC ZINC000419186934 537984477 /nfs/dbraw/zinc/98/44/77/537984477.db2.gz FKVCPFMZQHIZQA-CYBMUJFWSA-N 1 2 371.459 1.545 20 5 FDBDLO 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ZINC000486024446 538864079 /nfs/dbraw/zinc/86/40/79/538864079.db2.gz ASJBSTAGNOQQLQ-UHFFFAOYSA-N 1 2 357.357 1.643 20 5 FDBDLO CCN1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000561323559 545803364 /nfs/dbraw/zinc/80/33/64/545803364.db2.gz BDFHDKHTQONXIK-ZDUSSCGKSA-N 1 2 360.374 1.383 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000561356814 545816213 /nfs/dbraw/zinc/81/62/13/545816213.db2.gz CHQNGCNVSBLWKD-NWDGAFQWSA-N 1 2 359.386 1.543 20 5 FDBDLO NS(=O)(=O)c1cc(NCCc2[nH]c3ccccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000563472373 546549395 /nfs/dbraw/zinc/54/93/95/546549395.db2.gz OHJIRLSCTTXZQT-UHFFFAOYSA-N 1 2 361.383 1.773 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000563846612 546705834 /nfs/dbraw/zinc/70/58/34/546705834.db2.gz XCMDAFZFDUYDOZ-UHFFFAOYSA-N 1 2 366.337 1.605 20 5 FDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000564405517 546904534 /nfs/dbraw/zinc/90/45/34/546904534.db2.gz OGOBEGKVPJEJET-UHFFFAOYSA-N 1 2 364.325 1.377 20 5 FDBDLO NC(=O)c1ccnc(NCCNc2ccc3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000564553582 546951185 /nfs/dbraw/zinc/95/11/85/546951185.db2.gz WSVUYYYHTQPYCI-UHFFFAOYSA-N 1 2 352.354 2.161 20 5 FDBDLO O=C1[C@H](N2CCC[C@H]([NH+]3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000565170224 547232457 /nfs/dbraw/zinc/23/24/57/547232457.db2.gz IJVRVRBSLQBEST-ZWKOTPCHSA-N 1 2 374.441 1.497 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)o2)cc1 ZINC000565488556 547370592 /nfs/dbraw/zinc/37/05/92/547370592.db2.gz BNLNRYOZPRHGAN-INIZCTEOSA-N 1 2 373.413 1.941 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](N4CCOCC4)C3)o2)cc1 ZINC000565488556 547370597 /nfs/dbraw/zinc/37/05/97/547370597.db2.gz BNLNRYOZPRHGAN-INIZCTEOSA-N 1 2 373.413 1.941 20 5 FDBDLO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]([NH+]4CCOCC4)C3)o2)cc1 ZINC000565488556 547370601 /nfs/dbraw/zinc/37/06/01/547370601.db2.gz BNLNRYOZPRHGAN-INIZCTEOSA-N 1 2 373.413 1.941 20 5 FDBDLO CC(C)Oc1nc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000566477718 547774887 /nfs/dbraw/zinc/77/48/87/547774887.db2.gz CIFDCIUQSMECGO-UHFFFAOYSA-N 1 2 372.385 1.852 20 5 FDBDLO CC(C)(C)N1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000566796879 547889324 /nfs/dbraw/zinc/88/93/24/547889324.db2.gz AJZFZABBIXSKCD-ZDUSSCGKSA-N 1 2 371.397 1.910 20 5 FDBDLO CNc1nccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000568765200 548672045 /nfs/dbraw/zinc/67/20/45/548672045.db2.gz VIPMFACMXXQVSR-UHFFFAOYSA-N 1 2 371.397 1.695 20 5 FDBDLO CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000570046557 549140192 /nfs/dbraw/zinc/14/01/92/549140192.db2.gz KSILVHDJHBGKCO-ZDUSSCGKSA-N 1 2 371.397 1.910 20 5 FDBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000570728851 549391067 /nfs/dbraw/zinc/39/10/67/549391067.db2.gz YNSHUJBLKZCTPM-UHFFFAOYSA-N 1 2 350.419 1.403 20 5 FDBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000570728851 549391072 /nfs/dbraw/zinc/39/10/72/549391072.db2.gz YNSHUJBLKZCTPM-UHFFFAOYSA-N 1 2 350.419 1.403 20 5 FDBDLO C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1CCO ZINC000571148869 549542303 /nfs/dbraw/zinc/54/23/03/549542303.db2.gz ACGUREMCNPYWSA-AWEZNQCLSA-N 1 2 365.433 1.820 20 5 FDBDLO C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+]1CCO ZINC000571148869 549542308 /nfs/dbraw/zinc/54/23/08/549542308.db2.gz ACGUREMCNPYWSA-AWEZNQCLSA-N 1 2 365.433 1.820 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000578125213 550730695 /nfs/dbraw/zinc/73/06/95/550730695.db2.gz SMCICTODURRDAZ-LLVKDONJSA-N 1 2 366.374 1.073 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000578125213 550730696 /nfs/dbraw/zinc/73/06/96/550730696.db2.gz SMCICTODURRDAZ-LLVKDONJSA-N 1 2 366.374 1.073 20 5 FDBDLO Cn1cnnc1Sc1ccc(C(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000578564975 550777791 /nfs/dbraw/zinc/77/77/91/550777791.db2.gz WZAHUEFOZLQIJE-UHFFFAOYSA-N 1 2 373.398 1.538 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000578755411 550798008 /nfs/dbraw/zinc/79/80/08/550798008.db2.gz GCFIKBALKLNPKI-UHFFFAOYSA-N 1 2 366.381 1.776 20 5 FDBDLO CN1C[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000578903982 550814347 /nfs/dbraw/zinc/81/43/47/550814347.db2.gz DKRLYZFVAHTWHX-LLVKDONJSA-N 1 2 354.794 1.739 20 5 FDBDLO CN1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1=O ZINC000578903982 550814349 /nfs/dbraw/zinc/81/43/49/550814349.db2.gz DKRLYZFVAHTWHX-LLVKDONJSA-N 1 2 354.794 1.739 20 5 FDBDLO CC(C)N(CCOCCO)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588831912 551691293 /nfs/dbraw/zinc/69/12/93/551691293.db2.gz IGSRVEKHHMJKIW-UHFFFAOYSA-N 1 2 362.386 1.640 20 5 FDBDLO Nc1c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)cccc1[N+](=O)[O-] ZINC000588842859 551692166 /nfs/dbraw/zinc/69/21/66/551692166.db2.gz 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COC(=O)[C@]1(OC)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600192469 553229262 /nfs/dbraw/zinc/22/92/62/553229262.db2.gz OUPYFIUELMSZNE-INIZCTEOSA-N 1 2 352.343 1.130 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000600192469 553229264 /nfs/dbraw/zinc/22/92/64/553229264.db2.gz OUPYFIUELMSZNE-INIZCTEOSA-N 1 2 352.343 1.130 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000600298119 553245182 /nfs/dbraw/zinc/24/51/82/553245182.db2.gz GLQBWEDWTXWKIG-CQSZACIVSA-N 1 2 373.413 1.824 20 5 FDBDLO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000600298119 553245183 /nfs/dbraw/zinc/24/51/83/553245183.db2.gz GLQBWEDWTXWKIG-CQSZACIVSA-N 1 2 373.413 1.824 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000600538694 553282225 /nfs/dbraw/zinc/28/22/25/553282225.db2.gz VKMXYZLMNWDEHR-SGTLLEGYSA-N 1 2 372.381 1.558 20 5 FDBDLO 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ZINC000601378573 553389135 /nfs/dbraw/zinc/38/91/35/553389135.db2.gz NOIMTRCBQOCOBY-NSHDSACASA-N 1 2 368.390 1.954 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000601424952 553402277 /nfs/dbraw/zinc/40/22/77/553402277.db2.gz SLEUMUAXYMIMMJ-MRXNPFEDSA-N 1 2 369.443 1.221 20 5 FDBDLO C[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000601781465 553474624 /nfs/dbraw/zinc/47/46/24/553474624.db2.gz WOVHOMDRAJSBJO-MLGOLLRUSA-N 1 2 353.444 1.356 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000602436309 553580953 /nfs/dbraw/zinc/58/09/53/553580953.db2.gz YSBMTLYJYMPVCJ-AWEZNQCLSA-N 1 2 369.443 1.470 20 5 FDBDLO Cn1cc(C[NH2+][C@H](CO)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000602804391 553641767 /nfs/dbraw/zinc/64/17/67/553641767.db2.gz FDKXSIOHYHCAAM-GFCCVEGCSA-N 1 2 355.192 1.914 20 5 FDBDLO COc1c(C)c[nH+]c(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000051463161 782176596 /nfs/dbraw/zinc/17/65/96/782176596.db2.gz GHFIVTVGRSWMHH-UHFFFAOYSA-N 1 2 372.381 1.661 20 5 FDBDLO COCC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000603882611 553823713 /nfs/dbraw/zinc/82/37/13/553823713.db2.gz XTBKNVLYYDKBPP-GFCCVEGCSA-N 1 2 364.402 1.149 20 5 FDBDLO COc1cccc([C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000604510389 553882631 /nfs/dbraw/zinc/88/26/31/553882631.db2.gz DCRUCDKCTUTXJQ-ZDUSSCGKSA-N 1 2 370.369 1.888 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000609265397 554353561 /nfs/dbraw/zinc/35/35/61/554353561.db2.gz VHTHXKBYIQZQOR-UHFFFAOYSA-N 1 2 368.397 1.768 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000610260537 554483478 /nfs/dbraw/zinc/48/34/78/554483478.db2.gz WAJCDAKWYUHHPL-NSHDSACASA-N 1 2 356.429 1.633 20 5 FDBDLO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276438 554486065 /nfs/dbraw/zinc/48/60/65/554486065.db2.gz WKLOCNJBAWLHCL-LLVKDONJSA-N 1 2 351.388 1.280 20 5 FDBDLO Cc1cccn2cc(CCNC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000610434963 554505704 /nfs/dbraw/zinc/50/57/04/554505704.db2.gz SDGKDFXBAAGRBK-UHFFFAOYSA-N 1 2 356.386 1.841 20 5 FDBDLO Cc1c(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000610533892 554524191 /nfs/dbraw/zinc/52/41/91/554524191.db2.gz VKSRUBJGYRZMMW-CYBMUJFWSA-N 1 2 357.370 1.902 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000610922253 554581486 /nfs/dbraw/zinc/58/14/86/554581486.db2.gz ATZRSVAUOZRMCN-RYUDHWBXSA-N 1 2 351.407 1.113 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000610922253 554581488 /nfs/dbraw/zinc/58/14/88/554581488.db2.gz ATZRSVAUOZRMCN-RYUDHWBXSA-N 1 2 351.407 1.113 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])n1 ZINC000611105489 554605716 /nfs/dbraw/zinc/60/57/16/554605716.db2.gz WJTIMHLQJRRMMA-NSHDSACASA-N 1 2 354.392 1.034 20 5 FDBDLO CS(=O)(=O)CC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000611243407 554619029 /nfs/dbraw/zinc/61/90/29/554619029.db2.gz KTJVKDIYTFHKDC-UHFFFAOYSA-N 1 2 353.444 1.542 20 5 FDBDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000614977222 555144325 /nfs/dbraw/zinc/14/43/25/555144325.db2.gz HMMAFBUDRONIAY-OAHLLOKOSA-N 1 2 362.430 1.273 20 5 FDBDLO CNC(=O)[C@@H]1CCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619154559 555731482 /nfs/dbraw/zinc/73/14/82/555731482.db2.gz AZKGLNZEECAGBB-HUUCEWRRSA-N 1 2 362.430 1.754 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000619493611 555788464 /nfs/dbraw/zinc/78/84/64/555788464.db2.gz VTRKDMKDDCRBNB-LLVKDONJSA-N 1 2 366.399 1.515 20 5 FDBDLO O=C1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000619747638 555830248 /nfs/dbraw/zinc/83/02/48/555830248.db2.gz XIOOTSGLADJJDK-IRXDYDNUSA-N 1 2 374.441 1.992 20 5 FDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871693 555846628 /nfs/dbraw/zinc/84/66/28/555846628.db2.gz UFYFOHIQQJJYIO-ZDUSSCGKSA-N 1 2 373.413 1.798 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000366004639 567833292 /nfs/dbraw/zinc/83/32/92/567833292.db2.gz IUPAMTRXBRWTIB-SJORKVTESA-N 1 2 352.387 1.862 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c([N+](=O)[O-])c1 ZINC000366004639 567833294 /nfs/dbraw/zinc/83/32/94/567833294.db2.gz IUPAMTRXBRWTIB-SJORKVTESA-N 1 2 352.387 1.862 20 5 FDBDLO CCOc1cc(C[NH+]2CCC(NS(=O)(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000291233955 568084144 /nfs/dbraw/zinc/08/41/44/568084144.db2.gz UKGZEFIYQTZAGU-UHFFFAOYSA-N 1 2 372.447 1.012 20 5 FDBDLO COc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272759939 674473069 /nfs/dbraw/zinc/47/30/69/674473069.db2.gz ABDSSIBAOCSZBE-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000275833800 674648212 /nfs/dbraw/zinc/64/82/12/674648212.db2.gz YXBBHBYSTPSTGO-NWDGAFQWSA-N 1 2 352.391 1.834 20 5 FDBDLO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276916046 674808295 /nfs/dbraw/zinc/80/82/95/674808295.db2.gz OEQARAXVMIFSQD-CQSZACIVSA-N 1 2 371.459 1.897 20 5 FDBDLO CCOc1cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276916046 674808297 /nfs/dbraw/zinc/80/82/97/674808297.db2.gz OEQARAXVMIFSQD-CQSZACIVSA-N 1 2 371.459 1.897 20 5 FDBDLO CCOC1CC(CNc2ccc([N+](=O)[O-])c(C)n2)([NH+]2CCOCC2)C1 ZINC000278083454 675090582 /nfs/dbraw/zinc/09/05/82/675090582.db2.gz UYZKBUAHSDTJQC-UHFFFAOYSA-N 1 2 350.419 1.980 20 5 FDBDLO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000120121072 671684536 /nfs/dbraw/zinc/68/45/36/671684536.db2.gz OPKCGSJFCRLXGD-SNVBAGLBSA-N 1 2 354.413 1.609 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000289382610 676127448 /nfs/dbraw/zinc/12/74/48/676127448.db2.gz CRYAZTHTJZFYJB-UHFFFAOYSA-N 1 2 371.459 1.897 20 5 FDBDLO COc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1[N+](=O)[O-] ZINC000278897826 675215348 /nfs/dbraw/zinc/21/53/48/675215348.db2.gz PADWWZSNCIADFZ-AWEZNQCLSA-N 1 2 369.443 1.603 20 5 FDBDLO COc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1[N+](=O)[O-] ZINC000278897826 675215351 /nfs/dbraw/zinc/21/53/51/675215351.db2.gz PADWWZSNCIADFZ-AWEZNQCLSA-N 1 2 369.443 1.603 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000299376614 676531934 /nfs/dbraw/zinc/53/19/34/676531934.db2.gz SGZZQKJSJGWORZ-VAXYEAPXSA-N 1 2 369.443 1.773 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000299376614 676531936 /nfs/dbraw/zinc/53/19/36/676531936.db2.gz SGZZQKJSJGWORZ-VAXYEAPXSA-N 1 2 369.443 1.773 20 5 FDBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000375384375 678100552 /nfs/dbraw/zinc/10/05/52/678100552.db2.gz MXTLZRSUNRWHRL-ZWNOBZJWSA-N 1 2 350.766 1.809 20 5 FDBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000421022903 680590486 /nfs/dbraw/zinc/59/04/86/680590486.db2.gz PHPMGRUFOKVWBE-UHFFFAOYSA-N 1 2 350.400 1.400 20 5 FDBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000421022903 680590487 /nfs/dbraw/zinc/59/04/87/680590487.db2.gz PHPMGRUFOKVWBE-UHFFFAOYSA-N 1 2 350.400 1.400 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000439848934 681949753 /nfs/dbraw/zinc/94/97/53/681949753.db2.gz FVEHCDYDZJMDFZ-LLVKDONJSA-N 1 2 350.375 1.095 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000439848934 681949754 /nfs/dbraw/zinc/94/97/54/681949754.db2.gz FVEHCDYDZJMDFZ-LLVKDONJSA-N 1 2 350.375 1.095 20 5 FDBDLO O=C(NC[C@H]1CCCS1(=O)=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450143931 682738094 /nfs/dbraw/zinc/73/80/94/682738094.db2.gz FWJKWWKMTLJRNH-GFCCVEGCSA-N 1 2 364.383 1.088 20 5 FDBDLO CC(C)(CS(C)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450605402 682770476 /nfs/dbraw/zinc/77/04/76/682770476.db2.gz ZHUZEJFDNUEVHB-UHFFFAOYSA-N 1 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CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@@H](C)C1 ZINC000511348666 689512674 /nfs/dbraw/zinc/51/26/74/689512674.db2.gz YBKXKZJSLALYPV-LBPRGKRZSA-N 1 2 364.427 1.858 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)[C@@H](C)C1 ZINC000511348666 689512678 /nfs/dbraw/zinc/51/26/78/689512678.db2.gz YBKXKZJSLALYPV-LBPRGKRZSA-N 1 2 364.427 1.858 20 5 FDBDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000275165291 771371001 /nfs/dbraw/zinc/37/10/01/771371001.db2.gz SMCYFKLBCJIRRR-QGZVFWFLSA-N 1 2 365.386 1.747 20 5 FDBDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000275165291 771371004 /nfs/dbraw/zinc/37/10/04/771371004.db2.gz SMCYFKLBCJIRRR-QGZVFWFLSA-N 1 2 365.386 1.747 20 5 FDBDLO COc1ccc(OC)c(C[NH+]2CCN(c3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000891479817 778104843 /nfs/dbraw/zinc/10/48/43/778104843.db2.gz FKGHJJZJFNHVNO-UHFFFAOYSA-N 1 2 361.402 1.668 20 5 FDBDLO CN(C)c1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc[nH+]1 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CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000295163981 184040535 /nfs/dbraw/zinc/04/05/35/184040535.db2.gz FBRUSGSXJBVIAM-UHFFFAOYSA-N 1 2 367.431 1.716 20 5 FDBDLO COC(=O)Cc1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000295736289 184099604 /nfs/dbraw/zinc/09/96/04/184099604.db2.gz XDWFTVUPMOGRBL-UKRRQHHQSA-N 1 2 363.414 1.610 20 5 FDBDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296156626 184135961 /nfs/dbraw/zinc/13/59/61/184135961.db2.gz XYXPAFJLRZGLIT-UHFFFAOYSA-N 1 2 351.407 1.637 20 5 FDBDLO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000296761295 184198309 /nfs/dbraw/zinc/19/83/09/184198309.db2.gz BVCYLUBDQXYMCU-GFCCVEGCSA-N 1 2 369.443 1.555 20 5 FDBDLO COc1cc(C[N@@H+]2CCCN(C=O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000298083578 184389266 /nfs/dbraw/zinc/38/92/66/184389266.db2.gz MAWQDQVKAGEOLL-UHFFFAOYSA-N 1 2 373.356 1.911 20 5 FDBDLO COc1cc(C[N@H+]2CCCN(C=O)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000298083578 184389268 /nfs/dbraw/zinc/38/92/68/184389268.db2.gz MAWQDQVKAGEOLL-UHFFFAOYSA-N 1 2 373.356 1.911 20 5 FDBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000168537983 258263969 /nfs/dbraw/zinc/26/39/69/258263969.db2.gz LJGVKNGABRCRLD-ZDUSSCGKSA-N 1 2 371.397 1.748 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCc3nn(C)c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000172795419 258285346 /nfs/dbraw/zinc/28/53/46/258285346.db2.gz GYRXGSXMYRKFPK-LBPRGKRZSA-N 1 2 371.397 1.382 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCc3nn(C)c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000172795419 258285347 /nfs/dbraw/zinc/28/53/47/258285347.db2.gz GYRXGSXMYRKFPK-LBPRGKRZSA-N 1 2 371.397 1.382 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000173076257 258290662 /nfs/dbraw/zinc/29/06/62/258290662.db2.gz AZHFAGHXBNACAP-NSHDSACASA-N 1 2 366.447 1.125 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000548733519 542766177 /nfs/dbraw/zinc/76/61/77/542766177.db2.gz YFTVTBAXKCYXLN-JSGCOSHPSA-N 1 2 367.402 1.404 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000548733519 542766181 /nfs/dbraw/zinc/76/61/81/542766181.db2.gz YFTVTBAXKCYXLN-JSGCOSHPSA-N 1 2 367.402 1.404 20 5 FDBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549919391 542967302 /nfs/dbraw/zinc/96/73/02/542967302.db2.gz HMXYVPKLNRDTCW-NSHDSACASA-N 1 2 367.349 1.867 20 5 FDBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549919391 542967306 /nfs/dbraw/zinc/96/73/06/542967306.db2.gz HMXYVPKLNRDTCW-NSHDSACASA-N 1 2 367.349 1.867 20 5 FDBDLO Cn1cc(C[NH+]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)cn1 ZINC000553068938 543562318 /nfs/dbraw/zinc/56/23/18/543562318.db2.gz HPVQTUNOFWSMMP-UHFFFAOYSA-N 1 2 359.415 1.655 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000082985246 172199928 /nfs/dbraw/zinc/19/99/28/172199928.db2.gz WAABQRUVVJQJHG-NSHDSACASA-N 1 2 357.794 1.013 20 5 FDBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000088594461 172235828 /nfs/dbraw/zinc/23/58/28/172235828.db2.gz GCHKWIANOAHGOJ-CYBMUJFWSA-N 1 2 352.460 1.785 20 5 FDBDLO C[C@@H](CN1CCOCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091622581 172286198 /nfs/dbraw/zinc/28/61/98/172286198.db2.gz OOSJAHLIWCIYFC-HNNXBMFYSA-N 1 2 362.430 1.073 20 5 FDBDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000101552300 172334667 /nfs/dbraw/zinc/33/46/67/172334667.db2.gz GGNYBYFPWXONTF-OAHLLOKOSA-N 1 2 374.441 1.721 20 5 FDBDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000101552300 172334669 /nfs/dbraw/zinc/33/46/69/172334669.db2.gz GGNYBYFPWXONTF-OAHLLOKOSA-N 1 2 374.441 1.721 20 5 FDBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000127213488 173068497 /nfs/dbraw/zinc/06/84/97/173068497.db2.gz OIMKGYVUFSNMCC-CYBMUJFWSA-N 1 2 364.358 1.404 20 5 FDBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000127213488 173068499 /nfs/dbraw/zinc/06/84/99/173068499.db2.gz OIMKGYVUFSNMCC-CYBMUJFWSA-N 1 2 364.358 1.404 20 5 FDBDLO CSc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000127416217 173075648 /nfs/dbraw/zinc/07/56/48/173075648.db2.gz WGEYFWBPDSKCGI-ZDUSSCGKSA-N 1 2 351.428 1.910 20 5 FDBDLO CSc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000127416217 173075650 /nfs/dbraw/zinc/07/56/50/173075650.db2.gz WGEYFWBPDSKCGI-ZDUSSCGKSA-N 1 2 351.428 1.910 20 5 FDBDLO Cc1cccc2[nH+]c(CNc3cc([N+](=O)[O-])ccc3S(N)(=O)=O)cn21 ZINC000127951169 173095008 /nfs/dbraw/zinc/09/50/08/173095008.db2.gz VMKLJQIQZIFPBX-UHFFFAOYSA-N 1 2 361.383 1.810 20 5 FDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000132351331 173229091 /nfs/dbraw/zinc/22/90/91/173229091.db2.gz XNXQKALCNCXPQG-UHFFFAOYSA-N 1 2 357.407 1.759 20 5 FDBDLO CN(C(=O)C[NH+]1CCN(c2cnn(C)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000174907904 173971356 /nfs/dbraw/zinc/97/13/56/173971356.db2.gz DIHRZQIMTDHPEL-UHFFFAOYSA-N 1 2 358.402 1.113 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173540180 258302226 /nfs/dbraw/zinc/30/22/26/258302226.db2.gz YPJDKXUDQIGBPN-CQSZACIVSA-N 1 2 369.443 1.246 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000173892436 258313538 /nfs/dbraw/zinc/31/35/38/258313538.db2.gz WCMZCFDXTGIOEA-HNNXBMFYSA-N 1 2 369.443 1.470 20 5 FDBDLO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)cn2)CC1 ZINC000184623792 258382966 /nfs/dbraw/zinc/38/29/66/258382966.db2.gz JFXMFNILJABWQG-UHFFFAOYSA-N 1 2 371.397 1.377 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000189980317 258388226 /nfs/dbraw/zinc/38/82/26/258388226.db2.gz FPDDLTDAQYCODZ-AWEZNQCLSA-N 1 2 369.443 1.353 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1[N+](=O)[O-] ZINC000189980317 258388227 /nfs/dbraw/zinc/38/82/27/258388227.db2.gz FPDDLTDAQYCODZ-AWEZNQCLSA-N 1 2 369.443 1.353 20 5 FDBDLO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000556946892 544224201 /nfs/dbraw/zinc/22/42/01/544224201.db2.gz GFXMFGNOUFFPLH-SMDDNHRTSA-N 1 2 351.313 1.771 20 5 FDBDLO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000556946892 544224203 /nfs/dbraw/zinc/22/42/03/544224203.db2.gz GFXMFGNOUFFPLH-SMDDNHRTSA-N 1 2 351.313 1.771 20 5 FDBDLO CNc1nccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000557482234 544296654 /nfs/dbraw/zinc/29/66/54/544296654.db2.gz YUQQAUDVQJAHJL-UHFFFAOYSA-N 1 2 356.386 1.957 20 5 FDBDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301167625 259022351 /nfs/dbraw/zinc/02/23/51/259022351.db2.gz DDCIAJCPFYZGTR-CYBMUJFWSA-N 1 2 364.450 1.206 20 5 FDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000301244569 259024123 /nfs/dbraw/zinc/02/41/23/259024123.db2.gz PPPMXCIOUHQUFD-UHFFFAOYSA-N 1 2 351.388 1.280 20 5 FDBDLO Cc1cccn2cc(CNc3cc([N+](=O)[O-])ccc3S(N)(=O)=O)[nH+]c12 ZINC000302205990 259040119 /nfs/dbraw/zinc/04/01/19/259040119.db2.gz WZSPUUVZWPUQJI-UHFFFAOYSA-N 1 2 361.383 1.810 20 5 FDBDLO CN(C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)S(C)(=O)=O ZINC000332223601 259250783 /nfs/dbraw/zinc/25/07/83/259250783.db2.gz JXQCDXJSTQFQKW-UHFFFAOYSA-N 1 2 367.431 1.327 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@H]21 ZINC000332268603 259254129 /nfs/dbraw/zinc/25/41/29/259254129.db2.gz UUSHRTKZSCELSF-DGCLKSJQSA-N 1 2 357.313 1.351 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@H]21 ZINC000332268603 259254130 /nfs/dbraw/zinc/25/41/30/259254130.db2.gz UUSHRTKZSCELSF-DGCLKSJQSA-N 1 2 357.313 1.351 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332333546 259258434 /nfs/dbraw/zinc/25/84/34/259258434.db2.gz QOVQCESKOBGAHD-ONERCXAPSA-N 1 2 368.821 1.590 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332333546 259258435 /nfs/dbraw/zinc/25/84/35/259258435.db2.gz QOVQCESKOBGAHD-ONERCXAPSA-N 1 2 368.821 1.590 20 5 FDBDLO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1 ZINC000332541335 259275098 /nfs/dbraw/zinc/27/50/98/259275098.db2.gz XDTKVONLCXQPME-AWEZNQCLSA-N 1 2 363.414 1.685 20 5 FDBDLO O=C1[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])CCCN1CC[NH+]1CCOCC1 ZINC000365557557 259856518 /nfs/dbraw/zinc/85/65/18/259856518.db2.gz HZDPIONRLWVCCK-AWEZNQCLSA-N 1 2 366.393 1.469 20 5 FDBDLO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366043542 259900782 /nfs/dbraw/zinc/90/07/82/259900782.db2.gz WXIUMKHXBDQESH-MRXNPFEDSA-N 1 2 374.441 1.742 20 5 FDBDLO O=C1[C@@H]([N@@H+]2CCO[C@@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367231894 260013771 /nfs/dbraw/zinc/01/37/71/260013771.db2.gz RGQOQRUBGPTYPY-WMZOPIPTSA-N 1 2 361.398 1.582 20 5 FDBDLO O=C1[C@@H]([N@H+]2CCO[C@@]3(CCCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000367231894 260013772 /nfs/dbraw/zinc/01/37/72/260013772.db2.gz RGQOQRUBGPTYPY-WMZOPIPTSA-N 1 2 361.398 1.582 20 5 FDBDLO CN(CC(=O)Nc1c[nH+]ccc1-n1ccnn1)c1ccccc1[N+](=O)[O-] ZINC000367408600 260036798 /nfs/dbraw/zinc/03/67/98/260036798.db2.gz WSBIUDUKTGUQSF-UHFFFAOYSA-N 1 2 353.342 1.645 20 5 FDBDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000367492411 260050119 /nfs/dbraw/zinc/05/01/19/260050119.db2.gz GWCBKPVPLZJOCY-HKUPRMALSA-N 1 2 369.381 1.478 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000368972862 260270262 /nfs/dbraw/zinc/27/02/62/260270262.db2.gz IAMFVEYNQNZTOR-WHOFXGATSA-N 1 2 357.370 1.731 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000368972862 260270264 /nfs/dbraw/zinc/27/02/64/260270264.db2.gz IAMFVEYNQNZTOR-WHOFXGATSA-N 1 2 357.370 1.731 20 5 FDBDLO Cn1ccc(N2CC[C@@H]([NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)C2=O)n1 ZINC000369414270 260361963 /nfs/dbraw/zinc/36/19/63/260361963.db2.gz QLOUZOJDAAFXOB-MRXNPFEDSA-N 1 2 370.413 1.256 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000371459294 260711969 /nfs/dbraw/zinc/71/19/69/260711969.db2.gz NVRTUYLXQSNCRN-CQSZACIVSA-N 1 2 371.484 1.715 20 5 FDBDLO CN(C)c1noc(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000373543722 261019117 /nfs/dbraw/zinc/01/91/17/261019117.db2.gz KQGZLJALUBFXRT-UHFFFAOYSA-N 1 2 374.401 1.862 20 5 FDBDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000373708936 261033332 /nfs/dbraw/zinc/03/33/32/261033332.db2.gz ROGHDELEJALQII-UHFFFAOYSA-N 1 2 363.418 1.497 20 5 FDBDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000373708936 261033333 /nfs/dbraw/zinc/03/33/33/261033333.db2.gz ROGHDELEJALQII-UHFFFAOYSA-N 1 2 363.418 1.497 20 5 FDBDLO O=C1CO[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2N1 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LDIAHZKRXLOELR-GFCCVEGCSA-N 1 2 367.369 1.539 20 5 FDBDLO COc1ccccc1[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[NH2+]1 ZINC000374376133 261120131 /nfs/dbraw/zinc/12/01/31/261120131.db2.gz VRINBXJMXPUILJ-ZDUSSCGKSA-N 1 2 359.386 1.432 20 5 FDBDLO O=C(C1CCCCC1)N1CC[NH+](CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000544842415 490983519 /nfs/dbraw/zinc/98/35/19/490983519.db2.gz JJRIPQPFQKOYPS-UHFFFAOYSA-N 1 2 362.434 1.521 20 5 FDBDLO O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000016252420 518747111 /nfs/dbraw/zinc/74/71/11/518747111.db2.gz JJMMKNCQSOWRCY-UHFFFAOYSA-N 1 2 372.381 1.840 20 5 FDBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026191986 519105860 /nfs/dbraw/zinc/10/58/60/519105860.db2.gz UBTAVIQDUOSSCW-AWEZNQCLSA-N 1 2 350.419 1.258 20 5 FDBDLO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026934455 519148412 /nfs/dbraw/zinc/14/84/12/519148412.db2.gz PDRAPFPAFYVENP-UHFFFAOYSA-N 1 2 365.342 1.101 20 5 FDBDLO 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ZINC000596289307 552671397 /nfs/dbraw/zinc/67/13/97/552671397.db2.gz NRLPAHVPWNMTJX-KGLIPLIRSA-N 1 2 366.418 1.382 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000596289307 552671398 /nfs/dbraw/zinc/67/13/98/552671398.db2.gz NRLPAHVPWNMTJX-KGLIPLIRSA-N 1 2 366.418 1.382 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095489 552746335 /nfs/dbraw/zinc/74/63/35/552746335.db2.gz XCEGVEIPVKDELH-VIFPVBQESA-N 1 2 357.798 1.673 20 5 FDBDLO Cn1cc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597202869 552759766 /nfs/dbraw/zinc/75/97/66/552759766.db2.gz KQTFZGYORNWUEZ-GOSISDBHSA-N 1 2 371.441 1.902 20 5 FDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000597208782 552760445 /nfs/dbraw/zinc/76/04/45/552760445.db2.gz NZVQSQUDDHTPBI-RNQWEJQRSA-N 1 2 353.444 1.964 20 5 FDBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000597208782 552760448 /nfs/dbraw/zinc/76/04/48/552760448.db2.gz NZVQSQUDDHTPBI-RNQWEJQRSA-N 1 2 353.444 1.964 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597224985 552762764 /nfs/dbraw/zinc/76/27/64/552762764.db2.gz WSKHAEMPUMLVRM-ZDUSSCGKSA-N 1 2 366.418 1.800 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597224985 552762765 /nfs/dbraw/zinc/76/27/65/552762765.db2.gz WSKHAEMPUMLVRM-ZDUSSCGKSA-N 1 2 366.418 1.800 20 5 FDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597706430 552824311 /nfs/dbraw/zinc/82/43/11/552824311.db2.gz GCCUANQKUWDTSA-CYBMUJFWSA-N 1 2 363.370 1.260 20 5 FDBDLO CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947225 552849363 /nfs/dbraw/zinc/84/93/63/552849363.db2.gz WBGDYYBEGGMTNM-GFCCVEGCSA-N 1 2 355.416 1.165 20 5 FDBDLO CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597947225 552849365 /nfs/dbraw/zinc/84/93/65/552849365.db2.gz WBGDYYBEGGMTNM-GFCCVEGCSA-N 1 2 355.416 1.165 20 5 FDBDLO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000597992322 552853807 /nfs/dbraw/zinc/85/38/07/552853807.db2.gz UREIJPPCKFJWAK-MRXNPFEDSA-N 1 2 371.393 1.797 20 5 FDBDLO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000597992322 552853809 /nfs/dbraw/zinc/85/38/09/552853809.db2.gz UREIJPPCKFJWAK-MRXNPFEDSA-N 1 2 371.393 1.797 20 5 FDBDLO O=C(NCCO[C@@H]1CC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598138307 552867717 /nfs/dbraw/zinc/86/77/17/552867717.db2.gz JASJPSUXNOHEDG-CYBMUJFWSA-N 1 2 352.297 1.935 20 5 FDBDLO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000598594027 552912822 /nfs/dbraw/zinc/91/28/22/552912822.db2.gz FBGIRYVZBIKEIO-ZDUSSCGKSA-N 1 2 359.390 1.259 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)c1[N+](=O)[O-] ZINC000598613363 552915588 /nfs/dbraw/zinc/91/55/88/552915588.db2.gz WDFHHDWOYOFLQM-UHFFFAOYSA-N 1 2 371.459 1.289 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000598900987 552941589 /nfs/dbraw/zinc/94/15/89/552941589.db2.gz BZQMEGPLTZTMRG-UHFFFAOYSA-N 1 2 358.358 1.264 20 5 FDBDLO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000598909449 552943527 /nfs/dbraw/zinc/94/35/27/552943527.db2.gz ZKQBSBMYYBMVFF-LBPRGKRZSA-N 1 2 358.358 1.044 20 5 FDBDLO CN1c2ccccc2C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000598938418 552948664 /nfs/dbraw/zinc/94/86/64/552948664.db2.gz DWXFZOPPDCDESG-INIZCTEOSA-N 1 2 371.393 1.813 20 5 FDBDLO CN1c2ccccc2C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000598938418 552948666 /nfs/dbraw/zinc/94/86/66/552948666.db2.gz DWXFZOPPDCDESG-INIZCTEOSA-N 1 2 371.393 1.813 20 5 FDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949918 552950732 /nfs/dbraw/zinc/95/07/32/552950732.db2.gz XFGPJFIZVWCNMB-AAEUAGOBSA-N 1 2 361.406 1.155 20 5 FDBDLO CN(C)S(=O)(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599020455 552958651 /nfs/dbraw/zinc/95/86/51/552958651.db2.gz PVNIAJUUKBKBGY-UHFFFAOYSA-N 1 2 365.415 1.071 20 5 FDBDLO CS(=O)(=O)N1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599027099 552959365 /nfs/dbraw/zinc/95/93/65/552959365.db2.gz IIZARHGRYGJJRX-GFCCVEGCSA-N 1 2 350.400 1.979 20 5 FDBDLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C[C@H]21 ZINC000599109056 552968892 /nfs/dbraw/zinc/96/88/92/552968892.db2.gz ZEIWDOPOYWJNGX-CFVMTHIKSA-N 1 2 363.395 1.391 20 5 FDBDLO CCc1cc(NC[C@H](O)[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599132762 552971992 /nfs/dbraw/zinc/97/19/92/552971992.db2.gz OAZJJLDVOAEQOM-JKSUJKDBSA-N 1 2 358.398 1.988 20 5 FDBDLO Nc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cc(CO)c1[N+](=O)[O-] ZINC000599184887 552980033 /nfs/dbraw/zinc/98/00/33/552980033.db2.gz LZDILVNUXVIKKY-INIZCTEOSA-N 1 2 373.413 1.377 20 5 FDBDLO Nc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cc(CO)c1[N+](=O)[O-] ZINC000599184887 552980034 /nfs/dbraw/zinc/98/00/34/552980034.db2.gz LZDILVNUXVIKKY-INIZCTEOSA-N 1 2 373.413 1.377 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000599430937 553055563 /nfs/dbraw/zinc/05/55/63/553055563.db2.gz GODUNXJODNKYBV-UHFFFAOYSA-N 1 2 363.414 1.548 20 5 FDBDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599455024 553060924 /nfs/dbraw/zinc/06/09/24/553060924.db2.gz HCUJHKSSKLVLEM-UHFFFAOYSA-N 1 2 369.443 1.470 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000600541468 553282668 /nfs/dbraw/zinc/28/26/68/553282668.db2.gz VPAFVYYPBKITQH-KRWDZBQOSA-N 1 2 360.370 1.776 20 5 FDBDLO CN(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)F ZINC000600801455 553316159 /nfs/dbraw/zinc/31/61/59/553316159.db2.gz HUTXZSIFAXWLBZ-UHFFFAOYSA-N 1 2 353.329 1.707 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601155657 553353654 /nfs/dbraw/zinc/35/36/54/553353654.db2.gz DHRZHCOTJOXNPW-VIFPVBQESA-N 1 2 351.329 1.504 20 5 FDBDLO O=C(C[N@@H+]1CCO[C@@H](C(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000601972854 553498076 /nfs/dbraw/zinc/49/80/76/553498076.db2.gz GXSSKYNIGRPHMV-CQSZACIVSA-N 1 2 355.341 1.840 20 5 FDBDLO O=C(C[N@H+]1CCO[C@@H](C(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000601972854 553498077 /nfs/dbraw/zinc/49/80/77/553498077.db2.gz GXSSKYNIGRPHMV-CQSZACIVSA-N 1 2 355.341 1.840 20 5 FDBDLO Cn1cc(CN(CC[NH+]2CCOCC2)c2ccccc2F)c([N+](=O)[O-])n1 ZINC000602915150 553667883 /nfs/dbraw/zinc/66/78/83/553667883.db2.gz JYQPPXCRBOBAJG-UHFFFAOYSA-N 1 2 363.393 1.806 20 5 FDBDLO CCOc1cc(C[NH+]2CCN(c3nnc(C)n3C)CC2)ccc1[N+](=O)[O-] ZINC000602944908 553676463 /nfs/dbraw/zinc/67/64/63/553676463.db2.gz WCDHWYUIHQOEPC-UHFFFAOYSA-N 1 2 360.418 1.753 20 5 FDBDLO O=C(C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602987918 553686869 /nfs/dbraw/zinc/68/68/69/553686869.db2.gz VXGIJOASWKDQMN-WCQYABFASA-N 1 2 373.331 1.587 20 5 FDBDLO O=C(C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602987918 553686871 /nfs/dbraw/zinc/68/68/71/553686871.db2.gz VXGIJOASWKDQMN-WCQYABFASA-N 1 2 373.331 1.587 20 5 FDBDLO COCCNC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000603445770 553789936 /nfs/dbraw/zinc/78/99/36/553789936.db2.gz ZSRFKQGXAIJRCE-UHFFFAOYSA-N 1 2 361.402 1.446 20 5 FDBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H]3CC3(C)C)c([N+](=O)[O-])c2)CC1 ZINC000604270741 553858807 /nfs/dbraw/zinc/85/88/07/553858807.db2.gz PILZBBSCCBNLAY-OAHLLOKOSA-N 1 2 368.459 1.741 20 5 FDBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000604545838 553887362 /nfs/dbraw/zinc/88/73/62/553887362.db2.gz RZLXNDLDQIJGMD-UHFFFAOYSA-N 1 2 373.413 1.901 20 5 FDBDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000604545838 553887363 /nfs/dbraw/zinc/88/73/63/553887363.db2.gz RZLXNDLDQIJGMD-UHFFFAOYSA-N 1 2 373.413 1.901 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609211532 554349422 /nfs/dbraw/zinc/34/94/22/554349422.db2.gz WXIJXIZQNYGRLJ-ZDUSSCGKSA-N 1 2 351.407 1.027 20 5 FDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609211532 554349427 /nfs/dbraw/zinc/34/94/27/554349427.db2.gz WXIJXIZQNYGRLJ-ZDUSSCGKSA-N 1 2 351.407 1.027 20 5 FDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609227337 554351120 /nfs/dbraw/zinc/35/11/20/554351120.db2.gz RHFPAHDYWMWKOU-SNVBAGLBSA-N 1 2 370.793 1.024 20 5 FDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609227337 554351122 /nfs/dbraw/zinc/35/11/22/554351122.db2.gz RHFPAHDYWMWKOU-SNVBAGLBSA-N 1 2 370.793 1.024 20 5 FDBDLO Cn1cc(C[NH+]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CC2)cn1 ZINC000609265833 554353240 /nfs/dbraw/zinc/35/32/40/554353240.db2.gz BDUAFNFPGIALMO-UHFFFAOYSA-N 1 2 368.397 1.768 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564221 554394024 /nfs/dbraw/zinc/39/40/24/554394024.db2.gz 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ZINC000555528636 543965851 /nfs/dbraw/zinc/96/58/51/543965851.db2.gz KZFANNYLRWATKK-MRXNPFEDSA-N 1 2 365.433 1.811 20 5 FDBDLO C[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000556506427 544150849 /nfs/dbraw/zinc/15/08/49/544150849.db2.gz SVKIBYIBTLIMST-UHFFFAOYSA-N 1 2 371.191 1.070 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000557335764 544279731 /nfs/dbraw/zinc/27/97/31/544279731.db2.gz UWKIPCXFVZADIV-GHMZBOCLSA-N 1 2 361.358 1.890 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000557335764 544279733 /nfs/dbraw/zinc/27/97/33/544279733.db2.gz UWKIPCXFVZADIV-GHMZBOCLSA-N 1 2 361.358 1.890 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000557335764 544279736 /nfs/dbraw/zinc/27/97/36/544279736.db2.gz UWKIPCXFVZADIV-GHMZBOCLSA-N 1 2 361.358 1.890 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000557335764 544279737 /nfs/dbraw/zinc/27/97/37/544279737.db2.gz UWKIPCXFVZADIV-GHMZBOCLSA-N 1 2 361.358 1.890 20 5 FDBDLO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000557860614 544355143 /nfs/dbraw/zinc/35/51/43/544355143.db2.gz CHIJUMMDFJTWBA-CYBMUJFWSA-N 1 2 368.390 1.710 20 5 FDBDLO COC(=O)c1cc(NC(=O)NCc2ccc(N)[nH+]c2)c(C)c([N+](=O)[O-])c1 ZINC000558770114 544528438 /nfs/dbraw/zinc/52/84/38/544528438.db2.gz JFLVOQBUCWFFIJ-UHFFFAOYSA-N 1 2 359.342 1.989 20 5 FDBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000559339101 544649850 /nfs/dbraw/zinc/64/98/50/544649850.db2.gz WYVPBHHQVPPZFC-UHFFFAOYSA-N 1 2 370.409 1.795 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000293306140 258867700 /nfs/dbraw/zinc/86/77/00/258867700.db2.gz PVRNWTZNEJVAON-UHFFFAOYSA-N 1 2 361.402 1.790 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000293306140 258867701 /nfs/dbraw/zinc/86/77/01/258867701.db2.gz PVRNWTZNEJVAON-UHFFFAOYSA-N 1 2 361.402 1.790 20 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ZINC000302042922 259038082 /nfs/dbraw/zinc/03/80/82/259038082.db2.gz SFZZJFWJUOBOSX-UHFFFAOYSA-N 1 2 351.388 1.315 20 5 FDBDLO COC[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)O1 ZINC000331612289 259207259 /nfs/dbraw/zinc/20/72/59/259207259.db2.gz FKEWNDMGCHXDSR-CVEARBPZSA-N 1 2 363.414 1.826 20 5 FDBDLO COC[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)O1 ZINC000331612289 259207260 /nfs/dbraw/zinc/20/72/60/259207260.db2.gz FKEWNDMGCHXDSR-CVEARBPZSA-N 1 2 363.414 1.826 20 5 FDBDLO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000331988940 259233494 /nfs/dbraw/zinc/23/34/94/259233494.db2.gz NNGUNLDKQKKLOH-WDEREUQCSA-N 1 2 361.445 1.140 20 5 FDBDLO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000331988940 259233495 /nfs/dbraw/zinc/23/34/95/259233495.db2.gz NNGUNLDKQKKLOH-WDEREUQCSA-N 1 2 361.445 1.140 20 5 FDBDLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332107710 259242171 /nfs/dbraw/zinc/24/21/71/259242171.db2.gz FCHVTJYXMZIKTJ-IUODEOHRSA-N 1 2 367.427 1.067 20 5 FDBDLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332107710 259242172 /nfs/dbraw/zinc/24/21/72/259242172.db2.gz FCHVTJYXMZIKTJ-IUODEOHRSA-N 1 2 367.427 1.067 20 5 FDBDLO O=C1OCCC12CC[NH+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000366780177 259967670 /nfs/dbraw/zinc/96/76/70/259967670.db2.gz MCLNLUSEPYELLG-UHFFFAOYSA-N 1 2 368.411 1.398 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000367523492 260054877 /nfs/dbraw/zinc/05/48/77/260054877.db2.gz CEMMODHMWPXJOR-ZDUSSCGKSA-N 1 2 357.457 1.407 20 5 FDBDLO COc1cc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000368295077 260163017 /nfs/dbraw/zinc/16/30/17/260163017.db2.gz YODXKMHDJCYBHK-GFCCVEGCSA-N 1 2 352.372 1.852 20 5 FDBDLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000368542690 260198867 /nfs/dbraw/zinc/19/88/67/260198867.db2.gz IFNFMHDVTGIMLK-CQSZACIVSA-N 1 2 351.359 1.187 20 5 FDBDLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000368542690 260198868 /nfs/dbraw/zinc/19/88/68/260198868.db2.gz IFNFMHDVTGIMLK-CQSZACIVSA-N 1 2 351.359 1.187 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000368994725 260273994 /nfs/dbraw/zinc/27/39/94/260273994.db2.gz CITTUFGJQUHQFN-KGLIPLIRSA-N 1 2 369.443 1.374 20 5 FDBDLO Cn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010794 260276318 /nfs/dbraw/zinc/27/63/18/260276318.db2.gz PEACVOFLFVYMBP-ZDUSSCGKSA-N 1 2 368.397 1.875 20 5 FDBDLO Cn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010794 260276320 /nfs/dbraw/zinc/27/63/20/260276320.db2.gz PEACVOFLFVYMBP-ZDUSSCGKSA-N 1 2 368.397 1.875 20 5 FDBDLO O=C(N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1)C1CCC1 ZINC000369063382 260289683 /nfs/dbraw/zinc/28/96/83/260289683.db2.gz KFPNUAIGSLCADS-HNNXBMFYSA-N 1 2 361.398 1.952 20 5 FDBDLO O=C(N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1)C1CCC1 ZINC000369063382 260289684 /nfs/dbraw/zinc/28/96/84/260289684.db2.gz KFPNUAIGSLCADS-HNNXBMFYSA-N 1 2 361.398 1.952 20 5 FDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)Nc1cccc([N+](=O)[O-])c1 ZINC000370571117 260570289 /nfs/dbraw/zinc/57/02/89/260570289.db2.gz ZPASIEGQBJATJL-KRWDZBQOSA-N 1 2 364.402 1.598 20 5 FDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2F)CC1 ZINC000374006323 261064639 /nfs/dbraw/zinc/06/46/39/261064639.db2.gz RLPLLVOBROKOHS-UHFFFAOYSA-N 1 2 352.366 1.018 20 5 FDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2F)CC1 ZINC000374006323 261064640 /nfs/dbraw/zinc/06/46/40/261064640.db2.gz RLPLLVOBROKOHS-UHFFFAOYSA-N 1 2 352.366 1.018 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000374340682 261114458 /nfs/dbraw/zinc/11/44/58/261114458.db2.gz LDIAHZKRXLOELR-LBPRGKRZSA-N 1 2 367.369 1.539 20 5 FDBDLO Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)nc[nH+]1 ZINC000374763907 261190246 /nfs/dbraw/zinc/19/02/46/261190246.db2.gz GSTMJJSSERSVQG-UHFFFAOYSA-N 1 2 374.376 1.813 20 5 FDBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000374806265 261200945 /nfs/dbraw/zinc/20/09/45/261200945.db2.gz LILFWYFSBSCFRC-INIZCTEOSA-N 1 2 369.443 1.221 20 5 FDBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000374806265 261200946 /nfs/dbraw/zinc/20/09/46/261200946.db2.gz LILFWYFSBSCFRC-INIZCTEOSA-N 1 2 369.443 1.221 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375489782 261352402 /nfs/dbraw/zinc/35/24/02/261352402.db2.gz ZDAIPIYXJRRRLN-JDFRZJQESA-N 1 2 358.398 1.070 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000375489782 261352404 /nfs/dbraw/zinc/35/24/04/261352404.db2.gz ZDAIPIYXJRRRLN-JDFRZJQESA-N 1 2 358.398 1.070 20 5 FDBDLO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CCN(c2cccc[nH+]2)CC1 ZINC000376894786 261674011 /nfs/dbraw/zinc/67/40/11/261674011.db2.gz IYOARJIVITVOJM-UHFFFAOYSA-N 1 2 356.386 1.708 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]21 ZINC000408021775 262071538 /nfs/dbraw/zinc/07/15/38/262071538.db2.gz JDVQEUILMLKTHA-JKSUJKDBSA-N 1 2 356.382 1.688 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)C[C@@H]21 ZINC000408021775 262071544 /nfs/dbraw/zinc/07/15/44/262071544.db2.gz JDVQEUILMLKTHA-JKSUJKDBSA-N 1 2 356.382 1.688 20 5 FDBDLO Cc1nc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000271497716 674347816 /nfs/dbraw/zinc/34/78/16/674347816.db2.gz QFAKCBAKQYHQCL-SNVBAGLBSA-N 1 2 370.456 1.989 20 5 FDBDLO CC(C)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000015206787 518712080 /nfs/dbraw/zinc/71/20/80/518712080.db2.gz GCTCVXRDXXKIOB-UHFFFAOYSA-N 1 2 370.475 1.989 20 5 FDBDLO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc([N+](=O)[O-])c1O ZINC000018053714 518791294 /nfs/dbraw/zinc/79/12/94/518791294.db2.gz 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FDBDLO Cc1c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000457976308 538537476 /nfs/dbraw/zinc/53/74/76/538537476.db2.gz OHOGTCFPJBHVFW-UHFFFAOYSA-N 1 2 363.414 1.514 20 5 FDBDLO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000482120911 538609928 /nfs/dbraw/zinc/60/99/28/538609928.db2.gz BVAYPXCWQOJNAZ-INIZCTEOSA-N 1 2 361.398 1.912 20 5 FDBDLO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000482120911 538609937 /nfs/dbraw/zinc/60/99/37/538609937.db2.gz BVAYPXCWQOJNAZ-INIZCTEOSA-N 1 2 361.398 1.912 20 5 FDBDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000501060616 538611706 /nfs/dbraw/zinc/61/17/06/538611706.db2.gz BOWZFJUPGJMZNP-QWRGUYRKSA-N 1 2 351.359 1.497 20 5 FDBDLO C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000501060616 538611714 /nfs/dbraw/zinc/61/17/14/538611714.db2.gz BOWZFJUPGJMZNP-QWRGUYRKSA-N 1 2 351.359 1.497 20 5 FDBDLO O=C(C1CC1)[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000482155465 538612727 /nfs/dbraw/zinc/61/27/27/538612727.db2.gz GLJDBYSAHYNKSH-ZBFHGGJFSA-N 1 2 350.371 1.014 20 5 FDBDLO O=C(C1CC1)[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000482155465 538612734 /nfs/dbraw/zinc/61/27/34/538612734.db2.gz GLJDBYSAHYNKSH-ZBFHGGJFSA-N 1 2 350.371 1.014 20 5 FDBDLO CCN1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1=O ZINC000495208808 538643699 /nfs/dbraw/zinc/64/36/99/538643699.db2.gz GPPJQPDITJXTSS-LBPRGKRZSA-N 1 2 362.386 1.445 20 5 FDBDLO CCN1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1=O ZINC000495208808 538643705 /nfs/dbraw/zinc/64/37/05/538643705.db2.gz GPPJQPDITJXTSS-LBPRGKRZSA-N 1 2 362.386 1.445 20 5 FDBDLO CCNc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000560737487 545591157 /nfs/dbraw/zinc/59/11/57/545591157.db2.gz OWTYWFDNLGOWPT-UKRRQHHQSA-N 1 2 362.430 1.962 20 5 FDBDLO COc1ccc(OCC[NH+]2CCN(C(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000562456059 546146141 /nfs/dbraw/zinc/14/61/41/546146141.db2.gz SUWMZSBUFROMLO-UHFFFAOYSA-N 1 2 352.391 1.281 20 5 FDBDLO COCCOCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000568097161 548397208 /nfs/dbraw/zinc/39/72/08/548397208.db2.gz NPLLGJYKUICNSW-UHFFFAOYSA-N 1 2 353.419 1.526 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000568321276 548488905 /nfs/dbraw/zinc/48/89/05/548488905.db2.gz HAXOKWKUPBJRJF-NSHDSACASA-N 1 2 357.357 1.595 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCN(CC(F)F)CC1 ZINC000570010595 549126591 /nfs/dbraw/zinc/12/65/91/549126591.db2.gz USISTIUECWPPSO-UHFFFAOYSA-N 1 2 370.400 1.814 20 5 FDBDLO COC(=O)COc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000579778040 550909004 /nfs/dbraw/zinc/90/90/04/550909004.db2.gz XSGASOFJUWNKKY-JSGCOSHPSA-N 1 2 368.386 1.118 20 5 FDBDLO COC(=O)COc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000579778040 550909006 /nfs/dbraw/zinc/90/90/06/550909006.db2.gz XSGASOFJUWNKKY-JSGCOSHPSA-N 1 2 368.386 1.118 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580255723 550959444 /nfs/dbraw/zinc/95/94/44/550959444.db2.gz AKEDFSMOKVXDCA-CYBMUJFWSA-N 1 2 364.402 1.220 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2nnc3ccccn32)cc1 ZINC000580622008 551001223 /nfs/dbraw/zinc/00/12/23/551001223.db2.gz JUBUCLOBJCWGDI-UHFFFAOYSA-N 1 2 361.383 1.201 20 5 FDBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000583429312 551349889 /nfs/dbraw/zinc/34/98/89/551349889.db2.gz XEADNRKRCZUHRN-JTQLQIEISA-N 1 2 351.384 1.799 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2n[nH]cc2Br)c1 ZINC000583435663 551351526 /nfs/dbraw/zinc/35/15/26/551351526.db2.gz XBRCQIWHKNVEEN-SNVBAGLBSA-N 1 2 371.191 1.610 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000589497104 551733560 /nfs/dbraw/zinc/73/35/60/551733560.db2.gz AJIXQJFCEVYFRS-INIZCTEOSA-N 1 2 363.414 1.678 20 5 FDBDLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)cc1[N+](=O)[O-] ZINC000591326934 551861915 /nfs/dbraw/zinc/86/19/15/551861915.db2.gz NXFSXQGIEYJRLM-JSGCOSHPSA-N 1 2 357.432 1.209 20 5 FDBDLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)cc1[N+](=O)[O-] ZINC000591326934 551861917 /nfs/dbraw/zinc/86/19/17/551861917.db2.gz NXFSXQGIEYJRLM-JSGCOSHPSA-N 1 2 357.432 1.209 20 5 FDBDLO Cn1cc(C[NH+]2CCN(c3nc4c(cc3[N+](=O)[O-])CCCC4)CC2)cn1 ZINC000591911706 551915743 /nfs/dbraw/zinc/91/57/43/551915743.db2.gz KJZAJSZKCKCVSH-UHFFFAOYSA-N 1 2 356.430 1.924 20 5 FDBDLO Cc1cc(NCCCc2ncn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591967728 551921496 /nfs/dbraw/zinc/92/14/96/551921496.db2.gz OVXUETZYVFAERR-UHFFFAOYSA-N 1 2 353.386 1.955 20 5 FDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593153812 552067950 /nfs/dbraw/zinc/06/79/50/552067950.db2.gz WGSBVFLVRXZDRV-WFASDCNBSA-N 1 2 351.378 1.598 20 5 FDBDLO Cn1cc(C[NH+]2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)cn1 ZINC000593452922 552110421 /nfs/dbraw/zinc/11/04/21/552110421.db2.gz JQDVRMYLHRCZPG-UHFFFAOYSA-N 1 2 361.377 1.354 20 5 FDBDLO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000593845191 552208059 /nfs/dbraw/zinc/20/80/59/552208059.db2.gz USDPHDDNVCHBKA-NHYWBVRUSA-N 1 2 374.353 1.183 20 5 FDBDLO CNc1c(C(=O)N2CC[NH+](CCOCCOC)CC2)cccc1[N+](=O)[O-] ZINC000593887443 552218136 /nfs/dbraw/zinc/21/81/36/552218136.db2.gz UVLXEPAQPAKJEE-UHFFFAOYSA-N 1 2 366.418 1.057 20 5 FDBDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000594744930 552368874 /nfs/dbraw/zinc/36/88/74/552368874.db2.gz OKEDPJRWABFLBR-CQSZACIVSA-N 1 2 368.390 1.710 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000594755615 552371912 /nfs/dbraw/zinc/37/19/12/552371912.db2.gz PLBVBGVSWJWFDC-AWEZNQCLSA-N 1 2 368.390 1.710 20 5 FDBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594965411 552427903 /nfs/dbraw/zinc/42/79/03/552427903.db2.gz HIUKAIQPKOEHLC-CMPLNLGQSA-N 1 2 366.342 1.098 20 5 FDBDLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595288492 552512808 /nfs/dbraw/zinc/51/28/08/552512808.db2.gz MNLIWGIZCYUCOD-UHFFFAOYSA-N 1 2 352.410 1.768 20 5 FDBDLO Cc1noc(CN2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1[N+](=O)[O-] ZINC000595292734 552514010 /nfs/dbraw/zinc/51/40/10/552514010.db2.gz UXAGUWMLZOPLSF-UHFFFAOYSA-N 1 2 356.386 1.857 20 5 FDBDLO O=C(NC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000595552510 552583240 /nfs/dbraw/zinc/58/32/40/552583240.db2.gz XPKCCJUZCPFTMA-UHFFFAOYSA-N 1 2 364.402 1.307 20 5 FDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@]1(C)CO ZINC000595869969 552626285 /nfs/dbraw/zinc/62/62/85/552626285.db2.gz FDANOEOJTSXPNF-QLJPJBMISA-N 1 2 351.359 1.212 20 5 FDBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@]1(C)CO ZINC000595869969 552626286 /nfs/dbraw/zinc/62/62/86/552626286.db2.gz FDANOEOJTSXPNF-QLJPJBMISA-N 1 2 351.359 1.212 20 5 FDBDLO Cc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c([N+](=O)[O-])s1 ZINC000596067839 552651809 /nfs/dbraw/zinc/65/18/09/552651809.db2.gz BPVVZCDJOWYZAQ-UHFFFAOYSA-N 1 2 359.415 1.968 20 5 FDBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596108651 552655898 /nfs/dbraw/zinc/65/58/98/552655898.db2.gz WQMZLRBXPIPCNS-GFCCVEGCSA-N 1 2 363.418 1.265 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000596833100 552715973 /nfs/dbraw/zinc/71/59/73/552715973.db2.gz WONDIUSYZUELAE-NEPJUHHUSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000596833100 552715975 /nfs/dbraw/zinc/71/59/75/552715975.db2.gz WONDIUSYZUELAE-NEPJUHHUSA-N 1 2 352.391 1.834 20 5 FDBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597265216 552766863 /nfs/dbraw/zinc/76/68/63/552766863.db2.gz QSQRCESRDQSMOH-RYUDHWBXSA-N 1 2 356.386 1.531 20 5 FDBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597265216 552766864 /nfs/dbraw/zinc/76/68/64/552766864.db2.gz QSQRCESRDQSMOH-RYUDHWBXSA-N 1 2 356.386 1.531 20 5 FDBDLO O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597621794 552813237 /nfs/dbraw/zinc/81/32/37/552813237.db2.gz MEUGYIAMJMWCEA-UHFFFAOYSA-N 1 2 361.358 1.599 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)CO1 ZINC000597998597 552855227 /nfs/dbraw/zinc/85/52/27/552855227.db2.gz PNHYYEJGYRYYBD-KBPBESRZSA-N 1 2 373.413 1.620 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)CO1 ZINC000597998597 552855229 /nfs/dbraw/zinc/85/52/29/552855229.db2.gz PNHYYEJGYRYYBD-KBPBESRZSA-N 1 2 373.413 1.620 20 5 FDBDLO Cc1cc(OCC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597999408 552855411 /nfs/dbraw/zinc/85/54/11/552855411.db2.gz WJHMODMJLSVATB-UONOGXRCSA-N 1 2 351.403 1.507 20 5 FDBDLO Cc1cc(OCC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000597999408 552855413 /nfs/dbraw/zinc/85/54/13/552855413.db2.gz WJHMODMJLSVATB-UONOGXRCSA-N 1 2 351.403 1.507 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598342045 552887270 /nfs/dbraw/zinc/88/72/70/552887270.db2.gz CGTPYJVOTJKPQI-UHFFFAOYSA-N 1 2 363.414 1.788 20 5 FDBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598342351 552887554 /nfs/dbraw/zinc/88/75/54/552887554.db2.gz HHNYVCNNKCWPPG-UHFFFAOYSA-N 1 2 373.413 1.656 20 5 FDBDLO C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598459014 552898169 /nfs/dbraw/zinc/89/81/69/552898169.db2.gz CDTXQQCXPVKTAC-SECBINFHSA-N 1 2 365.777 1.589 20 5 FDBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000598738655 552929628 /nfs/dbraw/zinc/92/96/28/552929628.db2.gz OVAXQGPPSCIYRF-JTQLQIEISA-N 1 2 366.399 1.706 20 5 FDBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000598738063 552929797 /nfs/dbraw/zinc/92/97/97/552929797.db2.gz DDHHSRCPGXBMMO-SNVBAGLBSA-N 1 2 366.399 1.706 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598949955 552950787 /nfs/dbraw/zinc/95/07/87/552950787.db2.gz XZTUQJPBOMTHOO-LBPRGKRZSA-N 1 2 367.365 1.850 20 5 FDBDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599013947 552958015 /nfs/dbraw/zinc/95/80/15/552958015.db2.gz CMCVGVYYDJVRKS-UHFFFAOYSA-N 1 2 357.414 1.790 20 5 FDBDLO C[N@@H+]1CCOC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599025115 552958980 /nfs/dbraw/zinc/95/89/80/552958980.db2.gz JRVKAOTWYIVMKM-CYBMUJFWSA-N 1 2 356.810 1.421 20 5 FDBDLO C[N@H+]1CCOC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599025115 552958981 /nfs/dbraw/zinc/95/89/81/552958981.db2.gz JRVKAOTWYIVMKM-CYBMUJFWSA-N 1 2 356.810 1.421 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCO[C@@H](CCF)C1 ZINC000599169156 552978057 /nfs/dbraw/zinc/97/80/57/552978057.db2.gz RBFBLZVHVYHXCR-HNNXBMFYSA-N 1 2 353.394 1.992 20 5 FDBDLO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599185874 552980526 /nfs/dbraw/zinc/98/05/26/552980526.db2.gz ZIECSYXHNOVEDH-CQSZACIVSA-N 1 2 371.397 1.402 20 5 FDBDLO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599185874 552980527 /nfs/dbraw/zinc/98/05/27/552980527.db2.gz ZIECSYXHNOVEDH-CQSZACIVSA-N 1 2 371.397 1.402 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000599307768 553021933 /nfs/dbraw/zinc/02/19/33/553021933.db2.gz YXQLNVYKWFNVIF-LBPRGKRZSA-N 1 2 371.394 1.049 20 5 FDBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599496436 553073437 /nfs/dbraw/zinc/07/34/37/553073437.db2.gz WTSOMFHFVSRJAO-KRWDZBQOSA-N 1 2 351.403 1.953 20 5 FDBDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599496436 553073441 /nfs/dbraw/zinc/07/34/41/553073441.db2.gz WTSOMFHFVSRJAO-KRWDZBQOSA-N 1 2 351.403 1.953 20 5 FDBDLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599563225 553087044 /nfs/dbraw/zinc/08/70/44/553087044.db2.gz BNQOWKJTKYAZPA-BDJLRTHQSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599563225 553087046 /nfs/dbraw/zinc/08/70/46/553087046.db2.gz BNQOWKJTKYAZPA-BDJLRTHQSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676149 553119511 /nfs/dbraw/zinc/11/95/11/553119511.db2.gz IBVDKUZXHFZLEL-INIZCTEOSA-N 1 2 369.377 1.966 20 5 FDBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676149 553119514 /nfs/dbraw/zinc/11/95/14/553119514.db2.gz IBVDKUZXHFZLEL-INIZCTEOSA-N 1 2 369.377 1.966 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000600230764 553233376 /nfs/dbraw/zinc/23/33/76/553233376.db2.gz AXKARRIVCCSTKL-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000600230764 553233378 /nfs/dbraw/zinc/23/33/78/553233378.db2.gz AXKARRIVCCSTKL-SFHVURJKSA-N 1 2 363.414 1.249 20 5 FDBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422987 553264764 /nfs/dbraw/zinc/26/47/64/553264764.db2.gz YJGQWCHTOKNLNU-NSHDSACASA-N 1 2 372.219 1.726 20 5 FDBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422987 553264765 /nfs/dbraw/zinc/26/47/65/553264765.db2.gz YJGQWCHTOKNLNU-NSHDSACASA-N 1 2 372.219 1.726 20 5 FDBDLO Nc1c(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000600686108 553300402 /nfs/dbraw/zinc/30/04/02/553300402.db2.gz WPJIUFUTQARURM-AWEZNQCLSA-N 1 2 371.397 1.203 20 5 FDBDLO Nc1c(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cccc1[N+](=O)[O-] ZINC000600686108 553300403 /nfs/dbraw/zinc/30/04/03/553300403.db2.gz WPJIUFUTQARURM-AWEZNQCLSA-N 1 2 371.397 1.203 20 5 FDBDLO CC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600804827 553316573 /nfs/dbraw/zinc/31/65/73/553316573.db2.gz MDLWWZCTPGAHRU-HNNXBMFYSA-N 1 2 371.397 1.911 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000601451203 553409226 /nfs/dbraw/zinc/40/92/26/553409226.db2.gz UPZHTJHBZBCSJX-UHFFFAOYSA-N 1 2 374.422 1.639 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000601451203 553409228 /nfs/dbraw/zinc/40/92/28/553409228.db2.gz UPZHTJHBZBCSJX-UHFFFAOYSA-N 1 2 374.422 1.639 20 5 FDBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601730884 553464162 /nfs/dbraw/zinc/46/41/62/553464162.db2.gz XKBDCIQOHYBIMX-UHFFFAOYSA-N 1 2 356.382 1.962 20 5 FDBDLO CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602817913 553643766 /nfs/dbraw/zinc/64/37/66/553643766.db2.gz JXDQFLLYYCVVSJ-UHFFFAOYSA-N 1 2 363.340 1.839 20 5 FDBDLO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603215014 553734137 /nfs/dbraw/zinc/73/41/37/553734137.db2.gz MFKRJJFIMOKHDI-UHFFFAOYSA-N 1 2 351.794 1.763 20 5 FDBDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000610260265 554482770 /nfs/dbraw/zinc/48/27/70/554482770.db2.gz HJHFMIJBHVAWNW-VXGBXAGGSA-N 1 2 372.447 1.156 20 5 FDBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)CC1 ZINC000611195949 554614096 /nfs/dbraw/zinc/61/40/96/554614096.db2.gz UGRCJYKIGZCXRR-CQSZACIVSA-N 1 2 371.441 1.928 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H](O)CC(F)(F)C1 ZINC000615908270 555251564 /nfs/dbraw/zinc/25/15/64/555251564.db2.gz MXIOKIXZNXYIQA-LLVKDONJSA-N 1 2 352.297 1.623 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC000616425438 555303180 /nfs/dbraw/zinc/30/31/80/555303180.db2.gz DJWUPARCWAEUJW-STQMWFEESA-N 1 2 357.432 1.209 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC000616425438 555303182 /nfs/dbraw/zinc/30/31/82/555303182.db2.gz DJWUPARCWAEUJW-STQMWFEESA-N 1 2 357.432 1.209 20 5 FDBDLO CCOc1cc(CN2CC[NH+](CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000617194778 555401187 /nfs/dbraw/zinc/40/11/87/555401187.db2.gz KTJSTDDDJOHSQK-UHFFFAOYSA-N 1 2 350.419 1.199 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000619489879 555786898 /nfs/dbraw/zinc/78/68/98/555786898.db2.gz XJUJJLSQNQHJGC-UHFFFAOYSA-N 1 2 366.399 1.895 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000619498070 555790061 /nfs/dbraw/zinc/79/00/61/555790061.db2.gz QMNMEFAMNBMGOD-SNVBAGLBSA-N 1 2 352.372 1.093 20 5 FDBDLO COc1cc(C(=O)NCc2c[nH+]cn2C)c([N+](=O)[O-])cc1OC(F)F ZINC000291417001 568143054 /nfs/dbraw/zinc/14/30/54/568143054.db2.gz KCDGKVGWKDSAAO-UHFFFAOYSA-N 1 2 356.285 1.868 20 5 FDBDLO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436638677 568183688 /nfs/dbraw/zinc/18/36/88/568183688.db2.gz JVVLTGVRTRAQDN-UHFFFAOYSA-N 1 2 358.354 1.713 20 5 FDBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000738374486 598723701 /nfs/dbraw/zinc/72/37/01/598723701.db2.gz PDHFJJIKENFDFG-UHFFFAOYSA-N 1 2 369.389 1.141 20 5 FDBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000738374486 598723703 /nfs/dbraw/zinc/72/37/03/598723703.db2.gz PDHFJJIKENFDFG-UHFFFAOYSA-N 1 2 369.389 1.141 20 5 FDBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273349728 674529822 /nfs/dbraw/zinc/52/98/22/674529822.db2.gz OZFCWSDPMHLBOW-QWHCGFSZSA-N 1 2 360.432 1.090 20 5 FDBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273349728 674529823 /nfs/dbraw/zinc/52/98/23/674529823.db2.gz OZFCWSDPMHLBOW-QWHCGFSZSA-N 1 2 360.432 1.090 20 5 FDBDLO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000273426447 674536242 /nfs/dbraw/zinc/53/62/42/674536242.db2.gz KIYOOLONDTYIEM-CQSZACIVSA-N 1 2 352.416 1.843 20 5 FDBDLO CC[NH+]1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000288471731 676010282 /nfs/dbraw/zinc/01/02/82/676010282.db2.gz BTBOPHGFTOYHQH-UHFFFAOYSA-N 1 2 368.821 1.071 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264243447 672904789 /nfs/dbraw/zinc/90/47/89/672904789.db2.gz BYDIZIAVUOSZTA-RYUDHWBXSA-N 1 2 352.391 1.834 20 5 FDBDLO CSc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000267767521 673324156 /nfs/dbraw/zinc/32/41/56/673324156.db2.gz YSJDKYVAZOHLMK-ZDUSSCGKSA-N 1 2 369.443 1.082 20 5 FDBDLO CC1(C)OCC(CO)([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CO1 ZINC000279296830 675271468 /nfs/dbraw/zinc/27/14/68/675271468.db2.gz PZZHSYQJMIRODM-UHFFFAOYSA-N 1 2 354.359 1.065 20 5 FDBDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000281698621 675546925 /nfs/dbraw/zinc/54/69/25/675546925.db2.gz NOIAOEBIWRGRTE-GHMZBOCLSA-N 1 2 351.359 1.761 20 5 FDBDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000281698621 675546928 /nfs/dbraw/zinc/54/69/28/675546928.db2.gz NOIAOEBIWRGRTE-GHMZBOCLSA-N 1 2 351.359 1.761 20 5 FDBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000295466034 676406230 /nfs/dbraw/zinc/40/62/30/676406230.db2.gz MDGGGPOICAYYON-MFKMUULPSA-N 1 2 354.313 1.915 20 5 FDBDLO Cc1sc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000362957037 676928213 /nfs/dbraw/zinc/92/82/13/676928213.db2.gz BVSTYEPMSIMONZ-UHFFFAOYSA-N 1 2 365.415 1.746 20 5 FDBDLO Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000371994205 677825284 /nfs/dbraw/zinc/82/52/84/677825284.db2.gz JMJXEMGSRGNUTG-QWHCGFSZSA-N 1 2 351.407 1.010 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000373243669 678050666 /nfs/dbraw/zinc/05/06/66/678050666.db2.gz JFKDQNNZDCMGFQ-LBPRGKRZSA-N 1 2 350.375 1.034 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000373243669 678050669 /nfs/dbraw/zinc/05/06/69/678050669.db2.gz JFKDQNNZDCMGFQ-LBPRGKRZSA-N 1 2 350.375 1.034 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000377633612 678579489 /nfs/dbraw/zinc/57/94/89/678579489.db2.gz XJMONODPLIDXDD-ONGXEEELSA-N 1 2 352.778 1.255 20 5 FDBDLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000377633612 678579492 /nfs/dbraw/zinc/57/94/92/678579492.db2.gz XJMONODPLIDXDD-ONGXEEELSA-N 1 2 352.778 1.255 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000412550107 679195902 /nfs/dbraw/zinc/19/59/02/679195902.db2.gz JGUJYDYRAMRVHB-UHFFFAOYSA-N 1 2 351.403 1.322 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1C ZINC000420449068 680456828 /nfs/dbraw/zinc/45/68/28/680456828.db2.gz SEXGVWRTJNMAEB-NSHDSACASA-N 1 2 363.386 1.735 20 5 FDBDLO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420968868 680581582 /nfs/dbraw/zinc/58/15/82/680581582.db2.gz CZHXBLNEKRTLII-VHSXEESVSA-N 1 2 354.794 1.643 20 5 FDBDLO CNC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420968868 680581583 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VMOGIJBSKBOZOG-UHFFFAOYSA-N 1 2 360.374 1.476 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566533042 547795874 /nfs/dbraw/zinc/79/58/74/547795874.db2.gz PZOIOCURFOTIMX-CYBMUJFWSA-N 1 2 371.397 1.845 20 5 FDBDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000566595657 547819610 /nfs/dbraw/zinc/81/96/10/547819610.db2.gz CGYNXLULWKQASU-UHFFFAOYSA-N 1 2 361.383 1.398 20 5 FDBDLO COC(=O)[C@H]([NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1(OC)CCC1 ZINC000568444833 548539554 /nfs/dbraw/zinc/53/95/54/548539554.db2.gz CFEITHLKCKYHLD-INIZCTEOSA-N 1 2 363.414 1.828 20 5 FDBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] ZINC000569155711 548817310 /nfs/dbraw/zinc/81/73/10/548817310.db2.gz JYILPTNPSYZHII-UHFFFAOYSA-N 1 2 373.417 1.049 20 5 FDBDLO Cn1cnnc1CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000569354814 548887330 /nfs/dbraw/zinc/88/73/30/548887330.db2.gz XELVFYRUKKFLAW-UHFFFAOYSA-N 1 2 355.358 1.272 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000569359235 548889671 /nfs/dbraw/zinc/88/96/71/548889671.db2.gz JKACLMMAPTXZRW-UHFFFAOYSA-N 1 2 359.386 1.675 20 5 FDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000570135973 549170082 /nfs/dbraw/zinc/17/00/82/549170082.db2.gz ABECDMQNEGTOAE-GFCCVEGCSA-N 1 2 357.370 1.779 20 5 FDBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000570135973 549170085 /nfs/dbraw/zinc/17/00/85/549170085.db2.gz ABECDMQNEGTOAE-GFCCVEGCSA-N 1 2 357.370 1.779 20 5 FDBDLO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000570810490 549421031 /nfs/dbraw/zinc/42/10/31/549421031.db2.gz QMRFQFSPKWONDJ-KBPBESRZSA-N 1 2 365.434 1.415 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000570891385 549449734 /nfs/dbraw/zinc/44/97/34/549449734.db2.gz QCAMUKQLLVWLBK-NSHDSACASA-N 1 2 360.374 1.556 20 5 FDBDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000571958756 549811804 /nfs/dbraw/zinc/81/18/04/549811804.db2.gz OVRBTCJLBFYVDR-XELLLNAOSA-N 1 2 367.427 1.736 20 5 FDBDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000571958756 549811805 /nfs/dbraw/zinc/81/18/05/549811805.db2.gz OVRBTCJLBFYVDR-XELLLNAOSA-N 1 2 367.427 1.736 20 5 FDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000573349034 550118155 /nfs/dbraw/zinc/11/81/55/550118155.db2.gz ZJTGMRSOBSYHAC-LBPRGKRZSA-N 1 2 372.429 1.256 20 5 FDBDLO CCS(=O)(=O)N1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000573633987 550181676 /nfs/dbraw/zinc/18/16/76/550181676.db2.gz KMEFFDULZMRZIW-CYBMUJFWSA-N 1 2 357.432 1.329 20 5 FDBDLO CCS(=O)(=O)N1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000573633987 550181680 /nfs/dbraw/zinc/18/16/80/550181680.db2.gz KMEFFDULZMRZIW-CYBMUJFWSA-N 1 2 357.432 1.329 20 5 FDBDLO O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)c(F)c1N1CCOCC1 ZINC000574673530 550352174 /nfs/dbraw/zinc/35/21/74/550352174.db2.gz OWJLMVLVOILLKJ-UHFFFAOYSA-N 1 2 354.382 1.315 20 5 FDBDLO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574706663 550357726 /nfs/dbraw/zinc/35/77/26/550357726.db2.gz SBPOLKCYHAIUOQ-WFASDCNBSA-N 1 2 359.386 1.337 20 5 FDBDLO C[C@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574706663 550357728 /nfs/dbraw/zinc/35/77/28/550357728.db2.gz SBPOLKCYHAIUOQ-WFASDCNBSA-N 1 2 359.386 1.337 20 5 FDBDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000575225532 550446411 /nfs/dbraw/zinc/44/64/11/550446411.db2.gz XZRPUSANKZHZSX-UHFFFAOYSA-N 1 2 358.333 1.769 20 5 FDBDLO COC(=O)c1cc(C)nc(N2CCN(c3cc[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000576300724 550533495 /nfs/dbraw/zinc/53/34/95/550533495.db2.gz XEZOVKBANWLKLJ-UHFFFAOYSA-N 1 2 372.385 1.510 20 5 FDBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[nH+]1 ZINC000577499693 550663274 /nfs/dbraw/zinc/66/32/74/550663274.db2.gz HFBMLKBCQXPARO-UHFFFAOYSA-N 1 2 355.358 1.872 20 5 FDBDLO COC(=O)[C@@H](NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000580366025 550971585 /nfs/dbraw/zinc/97/15/85/550971585.db2.gz KVVQXPSQHSMSSG-KRWDZBQOSA-N 1 2 363.414 1.873 20 5 FDBDLO COC(=O)[C@@H](NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000580366025 550971587 /nfs/dbraw/zinc/97/15/87/550971587.db2.gz KVVQXPSQHSMSSG-KRWDZBQOSA-N 1 2 363.414 1.873 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cn[nH]c3C2)cc1 ZINC000581365045 551080654 /nfs/dbraw/zinc/08/06/54/551080654.db2.gz AYYOEAAHSZDZBC-LBPRGKRZSA-N 1 2 350.400 1.239 20 5 FDBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000581406577 551085209 /nfs/dbraw/zinc/08/52/09/551085209.db2.gz GARZGPBGZSDMTN-ABAIWWIYSA-N 1 2 366.399 1.527 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nccc(C(F)F)n2)c1 ZINC000582117951 551178279 /nfs/dbraw/zinc/17/82/79/551178279.db2.gz PZYWLHYSYAPGRQ-LLVKDONJSA-N 1 2 354.313 1.852 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000585749652 551592885 /nfs/dbraw/zinc/59/28/85/551592885.db2.gz KOLOKRPFCULLKS-DLBZAZTESA-N 1 2 371.397 1.326 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000585749652 551592888 /nfs/dbraw/zinc/59/28/88/551592888.db2.gz KOLOKRPFCULLKS-DLBZAZTESA-N 1 2 371.397 1.326 20 5 FDBDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000589344057 551725450 /nfs/dbraw/zinc/72/54/50/551725450.db2.gz QFROVHFWOMKNII-MRXNPFEDSA-N 1 2 373.413 1.708 20 5 FDBDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000589344057 551725453 /nfs/dbraw/zinc/72/54/53/551725453.db2.gz QFROVHFWOMKNII-MRXNPFEDSA-N 1 2 373.413 1.708 20 5 FDBDLO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCCn1cc[nH+]c1 ZINC000590568802 551793356 /nfs/dbraw/zinc/79/33/56/551793356.db2.gz DLAOYRIBLFBEPZ-UHFFFAOYSA-N 1 2 367.431 1.982 20 5 FDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000591782387 551908294 /nfs/dbraw/zinc/90/82/94/551908294.db2.gz KUXPRUOBSIVZAL-UFBFGSQYSA-N 1 2 358.276 1.822 20 5 FDBDLO Cn1ccc(NCCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000591936066 551918107 /nfs/dbraw/zinc/91/81/07/551918107.db2.gz PVNICADJNXRIQO-UHFFFAOYSA-N 1 2 360.418 1.685 20 5 FDBDLO CCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000592037553 551930205 /nfs/dbraw/zinc/93/02/05/551930205.db2.gz RLKDVJGTSNPNAZ-XHDPSFHLSA-N 1 2 357.432 1.155 20 5 FDBDLO CCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000592037553 551930207 /nfs/dbraw/zinc/93/02/07/551930207.db2.gz RLKDVJGTSNPNAZ-XHDPSFHLSA-N 1 2 357.432 1.155 20 5 FDBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCn3c(Cc4ccccc4F)nnc3C2)n1 ZINC000593057299 552056799 /nfs/dbraw/zinc/05/67/99/552056799.db2.gz SHBSQZCLUYZFTO-UHFFFAOYSA-N 1 2 371.376 1.629 20 5 FDBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCn3c(Cc4ccccc4F)nnc3C2)n1 ZINC000593057299 552056800 /nfs/dbraw/zinc/05/68/00/552056800.db2.gz SHBSQZCLUYZFTO-UHFFFAOYSA-N 1 2 371.376 1.629 20 5 FDBDLO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593116810 552064273 /nfs/dbraw/zinc/06/42/73/552064273.db2.gz IPZXRKBJWPPMRQ-NUEKZKHPSA-N 1 2 352.387 1.213 20 5 FDBDLO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593116810 552064274 /nfs/dbraw/zinc/06/42/74/552064274.db2.gz IPZXRKBJWPPMRQ-NUEKZKHPSA-N 1 2 352.387 1.213 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000593135822 552066471 /nfs/dbraw/zinc/06/64/71/552066471.db2.gz NPBRQPAXJAGKIV-UHFFFAOYSA-N 1 2 366.418 1.716 20 5 FDBDLO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593190296 552071393 /nfs/dbraw/zinc/07/13/93/552071393.db2.gz IKUNKSSPNAGAGP-QJPTWQEYSA-N 1 2 369.443 1.551 20 5 FDBDLO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593190296 552071394 /nfs/dbraw/zinc/07/13/94/552071394.db2.gz IKUNKSSPNAGAGP-QJPTWQEYSA-N 1 2 369.443 1.551 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000593312502 552087477 /nfs/dbraw/zinc/08/74/77/552087477.db2.gz QBIFWJHBCJDSAN-HNNXBMFYSA-N 1 2 368.397 1.933 20 5 FDBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593476157 552115007 /nfs/dbraw/zinc/11/50/07/552115007.db2.gz RYWFGVSYCKJNRY-CYBMUJFWSA-N 1 2 370.413 1.778 20 5 FDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000593492290 552117148 /nfs/dbraw/zinc/11/71/48/552117148.db2.gz AIHZQNFBCJEAQZ-OAHLLOKOSA-N 1 2 351.378 1.600 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C2 ZINC000593702946 552177859 /nfs/dbraw/zinc/17/78/59/552177859.db2.gz XQCNZNQVOPBCFJ-ZDUSSCGKSA-N 1 2 358.398 1.688 20 5 FDBDLO CC(C)(NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000593734118 552186881 /nfs/dbraw/zinc/18/68/81/552186881.db2.gz SKKVCGQPMZBQJA-UHFFFAOYSA-N 1 2 352.372 1.387 20 5 FDBDLO COc1cccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594099865 552248632 /nfs/dbraw/zinc/24/86/32/552248632.db2.gz WDNAJCVIZHYKIG-UPJWGTAASA-N 1 2 351.403 1.831 20 5 FDBDLO COc1cccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594099865 552248634 /nfs/dbraw/zinc/24/86/34/552248634.db2.gz WDNAJCVIZHYKIG-UPJWGTAASA-N 1 2 351.403 1.831 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000595125664 552459250 /nfs/dbraw/zinc/45/92/50/552459250.db2.gz JNKLALIZYPRSIJ-CHWSQXEVSA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000595125664 552459252 /nfs/dbraw/zinc/45/92/52/552459252.db2.gz JNKLALIZYPRSIJ-CHWSQXEVSA-N 1 2 364.402 1.067 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595220155 552495602 /nfs/dbraw/zinc/49/56/02/552495602.db2.gz UIJYRNKNFZQCKU-JTQLQIEISA-N 1 2 361.358 1.543 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2COCCO2)c([N+](=O)[O-])c1 ZINC000595737511 552609278 /nfs/dbraw/zinc/60/92/78/552609278.db2.gz RAQMHKGGCGWJQA-WCQYABFASA-N 1 2 353.375 1.278 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2COCCO2)c([N+](=O)[O-])c1 ZINC000595737511 552609279 /nfs/dbraw/zinc/60/92/79/552609279.db2.gz RAQMHKGGCGWJQA-WCQYABFASA-N 1 2 353.375 1.278 20 5 FDBDLO Cc1ccc[nH+]c1CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596253550 552668642 /nfs/dbraw/zinc/66/86/42/552668642.db2.gz BFNGJXCUUDKXEX-UHFFFAOYSA-N 1 2 350.400 1.990 20 5 FDBDLO CNS(=O)(=O)c1ccc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596431756 552678751 /nfs/dbraw/zinc/67/87/51/552678751.db2.gz QIMXUMYKANEQRO-RYUDHWBXSA-N 1 2 372.447 1.024 20 5 FDBDLO CNS(=O)(=O)c1ccc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596431756 552678752 /nfs/dbraw/zinc/67/87/52/552678752.db2.gz QIMXUMYKANEQRO-RYUDHWBXSA-N 1 2 372.447 1.024 20 5 FDBDLO O=[N+]([O-])c1cnccc1NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596515672 552685235 /nfs/dbraw/zinc/68/52/35/552685235.db2.gz QGRVYTAAYFEBBW-GOSISDBHSA-N 1 2 358.398 1.087 20 5 FDBDLO O=[N+]([O-])c1cnccc1NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596515672 552685236 /nfs/dbraw/zinc/68/52/36/552685236.db2.gz QGRVYTAAYFEBBW-GOSISDBHSA-N 1 2 358.398 1.087 20 5 FDBDLO Cc1cc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596516521 552685487 /nfs/dbraw/zinc/68/54/87/552685487.db2.gz SZLBCHVJSUZKLR-IBGZPJMESA-N 1 2 372.425 1.974 20 5 FDBDLO Cc1cc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596516521 552685488 /nfs/dbraw/zinc/68/54/88/552685488.db2.gz SZLBCHVJSUZKLR-IBGZPJMESA-N 1 2 372.425 1.974 20 5 FDBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596649792 552697123 /nfs/dbraw/zinc/69/71/23/552697123.db2.gz LFDLNFFNWQELSW-ZDUSSCGKSA-N 1 2 355.398 1.772 20 5 FDBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000596649792 552697124 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C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000331272969 259184736 /nfs/dbraw/zinc/18/47/36/259184736.db2.gz COEJKKNTXIQHBL-DVOMOZLQSA-N 1 2 356.444 1.850 20 5 FDBDLO C[C@@H]1C[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H](C)S1=O ZINC000332065807 259238916 /nfs/dbraw/zinc/23/89/16/259238916.db2.gz SMJBIMFPEMGQRN-VXGBXAGGSA-N 1 2 367.427 1.734 20 5 FDBDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000332268653 259254139 /nfs/dbraw/zinc/25/41/39/259254139.db2.gz PDJRRWMFDKWWIQ-AWEZNQCLSA-N 1 2 360.414 1.475 20 5 FDBDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000332268653 259254140 /nfs/dbraw/zinc/25/41/40/259254140.db2.gz PDJRRWMFDKWWIQ-AWEZNQCLSA-N 1 2 360.414 1.475 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000364761940 259781436 /nfs/dbraw/zinc/78/14/36/259781436.db2.gz WTUJSDJNTBKECV-LLVKDONJSA-N 1 2 369.385 1.904 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOC[C@H]1C1CC1 ZINC000367241185 260014537 /nfs/dbraw/zinc/01/45/37/260014537.db2.gz PWBUKUMEARIXJG-SFHVURJKSA-N 1 2 374.441 1.354 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000368301293 260164089 /nfs/dbraw/zinc/16/40/89/260164089.db2.gz IEANGDHJSRHQMM-GJZGRUSLSA-N 1 2 369.443 1.268 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000368301293 260164090 /nfs/dbraw/zinc/16/40/90/260164090.db2.gz IEANGDHJSRHQMM-GJZGRUSLSA-N 1 2 369.443 1.268 20 5 FDBDLO NC(=O)C1([NH+]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CCCC1 ZINC000368560408 260202129 /nfs/dbraw/zinc/20/21/29/260202129.db2.gz CAGPDMAQFIJEMY-UHFFFAOYSA-N 1 2 353.810 1.563 20 5 FDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000368972861 260269772 /nfs/dbraw/zinc/26/97/72/260269772.db2.gz IAMFVEYNQNZTOR-LNSITVRQSA-N 1 2 357.370 1.731 20 5 FDBDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000368972861 260269773 /nfs/dbraw/zinc/26/97/73/260269773.db2.gz IAMFVEYNQNZTOR-LNSITVRQSA-N 1 2 357.370 1.731 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000373025623 260967554 /nfs/dbraw/zinc/96/75/54/260967554.db2.gz PUKJBMDRUPVIEF-UHFFFAOYSA-N 1 2 372.425 1.949 20 5 FDBDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@]2(CCOC2)O1 ZINC000373796599 261041294 /nfs/dbraw/zinc/04/12/94/261041294.db2.gz KDOBUXKHYLJYRX-QBIMZIAESA-N 1 2 361.398 1.580 20 5 FDBDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@]2(CCOC2)O1 ZINC000373796599 261041295 /nfs/dbraw/zinc/04/12/95/261041295.db2.gz KDOBUXKHYLJYRX-QBIMZIAESA-N 1 2 361.398 1.580 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000374050696 261071354 /nfs/dbraw/zinc/07/13/54/261071354.db2.gz ONYOATIURBXAEM-LLVKDONJSA-N 1 2 360.374 1.540 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000374050696 261071356 /nfs/dbraw/zinc/07/13/56/261071356.db2.gz ONYOATIURBXAEM-LLVKDONJSA-N 1 2 360.374 1.540 20 5 FDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374352643 261117079 /nfs/dbraw/zinc/11/70/79/261117079.db2.gz SCXQCRIJGZMBDP-CYBMUJFWSA-N 1 2 356.338 1.505 20 5 FDBDLO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000374831339 261206013 /nfs/dbraw/zinc/20/60/13/261206013.db2.gz YFSRBNSEMOIWRE-UHFFFAOYSA-N 1 2 369.443 1.603 20 5 FDBDLO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000374831339 261206014 /nfs/dbraw/zinc/20/60/14/261206014.db2.gz YFSRBNSEMOIWRE-UHFFFAOYSA-N 1 2 369.443 1.603 20 5 FDBDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000375042526 261254779 /nfs/dbraw/zinc/25/47/79/261254779.db2.gz SCKSPQGSFXCZTJ-LBPRGKRZSA-N 1 2 371.397 1.442 20 5 FDBDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000375042526 261254780 /nfs/dbraw/zinc/25/47/80/261254780.db2.gz SCKSPQGSFXCZTJ-LBPRGKRZSA-N 1 2 371.397 1.442 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375197227 261285786 /nfs/dbraw/zinc/28/57/86/261285786.db2.gz KVILUBOLEDXGOS-NSHDSACASA-N 1 2 352.372 1.852 20 5 FDBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375227925 261293274 /nfs/dbraw/zinc/29/32/74/261293274.db2.gz DWXVPIIVKIEXGV-UAGQMJEPSA-N 1 2 364.398 1.405 20 5 FDBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000375227925 261293275 /nfs/dbraw/zinc/29/32/75/261293275.db2.gz DWXVPIIVKIEXGV-UAGQMJEPSA-N 1 2 364.398 1.405 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377723322 261863681 /nfs/dbraw/zinc/86/36/81/261863681.db2.gz NCQJDLMKNDNRFC-CKYFFXLPSA-N 1 2 366.805 1.643 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377723322 261863683 /nfs/dbraw/zinc/86/36/83/261863683.db2.gz NCQJDLMKNDNRFC-CKYFFXLPSA-N 1 2 366.805 1.643 20 5 FDBDLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408317632 262092879 /nfs/dbraw/zinc/09/28/79/262092879.db2.gz HJYAPAVGUCYOIP-KRWDZBQOSA-N 1 2 360.414 1.518 20 5 FDBDLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000408317632 262092881 /nfs/dbraw/zinc/09/28/81/262092881.db2.gz HJYAPAVGUCYOIP-KRWDZBQOSA-N 1 2 360.414 1.518 20 5 FDBDLO CCc1cc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000609738911 492220676 /nfs/dbraw/zinc/22/06/76/492220676.db2.gz RHIVSTQVSRFFRW-UHFFFAOYSA-N 1 2 351.388 1.338 20 5 FDBDLO Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000011990227 518581579 /nfs/dbraw/zinc/58/15/79/518581579.db2.gz DHMZNXJMVGXGSR-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000011990227 518581582 /nfs/dbraw/zinc/58/15/82/518581582.db2.gz DHMZNXJMVGXGSR-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016093626 518743364 /nfs/dbraw/zinc/74/33/64/518743364.db2.gz PAMXNUDDHXWPIO-UHFFFAOYSA-N 1 2 362.411 1.809 20 5 FDBDLO Cc1nn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)c1[N+](=O)[O-] ZINC000023735440 518964627 /nfs/dbraw/zinc/96/46/27/518964627.db2.gz YSGQWZVRRIEOMR-UHFFFAOYSA-N 1 2 363.443 1.814 20 5 FDBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000033111590 519572459 /nfs/dbraw/zinc/57/24/59/519572459.db2.gz SNBITGGTEIOIHF-UHFFFAOYSA-N 1 2 366.381 1.529 20 5 FDBDLO CCCCN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000038556945 519634921 /nfs/dbraw/zinc/63/49/21/519634921.db2.gz VTHVXKLOZQUEKB-UHFFFAOYSA-N 1 2 370.475 1.767 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000041871064 519670677 /nfs/dbraw/zinc/67/06/77/519670677.db2.gz MZKFRIXWHQPSRV-HNNXBMFYSA-N 1 2 351.403 1.690 20 5 FDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](C[NH+]2CCOCC2)C1 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HGEXPCJHAWIGIR-CQSZACIVSA-N 1 2 371.459 1.538 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000046034220 522207652 /nfs/dbraw/zinc/20/76/52/522207652.db2.gz HGEXPCJHAWIGIR-CQSZACIVSA-N 1 2 371.459 1.538 20 5 FDBDLO CCC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(=O)N(C)C ZINC000064246396 522686952 /nfs/dbraw/zinc/68/69/52/522686952.db2.gz YOZFYRUWSTVYIA-UHFFFAOYSA-N 1 2 366.374 1.062 20 5 FDBDLO CCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(=O)N(C)C ZINC000064246396 522686957 /nfs/dbraw/zinc/68/69/57/522686957.db2.gz YOZFYRUWSTVYIA-UHFFFAOYSA-N 1 2 366.374 1.062 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000065734552 522872349 /nfs/dbraw/zinc/87/23/49/522872349.db2.gz CTGZTFHHTAQBMG-UHFFFAOYSA-N 1 2 358.402 1.801 20 5 FDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000066053651 522944223 /nfs/dbraw/zinc/94/42/23/522944223.db2.gz XMDBEMSUSZGDAW-UHFFFAOYSA-N 1 2 358.333 1.823 20 5 FDBDLO O=C(NCC[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000066467866 523068439 /nfs/dbraw/zinc/06/84/39/523068439.db2.gz GYGXTMMTAZHLGO-UHFFFAOYSA-N 1 2 373.388 1.681 20 5 FDBDLO O=c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc2ccccn12 ZINC000051764843 523073722 /nfs/dbraw/zinc/07/37/22/523073722.db2.gz VPJWQBRVIUOMGD-UHFFFAOYSA-N 1 2 365.393 1.925 20 5 FDBDLO C[C@H]1C[C@@H]1CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000052132068 523125896 /nfs/dbraw/zinc/12/58/96/523125896.db2.gz AVWXAHJRMGMYNH-QWHCGFSZSA-N 1 2 368.459 1.599 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000077204684 523265370 /nfs/dbraw/zinc/26/53/70/523265370.db2.gz NGYQJKWDFOKYBH-UHFFFAOYSA-N 1 2 363.399 1.448 20 5 FDBDLO Cc1n[nH]c(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c1[N+](=O)[O-] ZINC000081929642 524197850 /nfs/dbraw/zinc/19/78/50/524197850.db2.gz UCOQHNCEFVCCRD-UHFFFAOYSA-N 1 2 354.370 1.996 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000146949072 524424443 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ZINC000267686282 999380345 /nfs/dbraw/zinc/38/03/45/999380345.db2.gz NRJVAELFMMVMSQ-AWEZNQCLSA-N 1 2 363.370 1.106 20 5 FDBDLO COc1cc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000285753797 999920836 /nfs/dbraw/zinc/92/08/36/999920836.db2.gz KBFOSMJIPYZUGZ-DOMZBBRYSA-N 1 2 363.414 1.847 20 5 FDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000928637655 1001596114 /nfs/dbraw/zinc/59/61/14/1001596114.db2.gz CWXQOVRTFUUXDI-CQSZACIVSA-N 1 2 351.403 1.591 20 5 FDBDLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000929802838 1002469168 /nfs/dbraw/zinc/46/91/68/1002469168.db2.gz MOOJMHJQYMJMCH-WBVHZDCISA-N 1 2 361.398 1.364 20 5 FDBDLO C[C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000933329729 1005540298 /nfs/dbraw/zinc/54/02/98/1005540298.db2.gz BKHBDZWHZFDAQW-ZDUSSCGKSA-N 1 2 360.414 1.121 20 5 FDBDLO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1F ZINC000778233809 1005719241 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CCn1cc(C[N@@H+]2CCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)cn1 ZINC000264680819 179164768 /nfs/dbraw/zinc/16/47/68/179164768.db2.gz PEKAMEZDGKKCOT-UHFFFAOYSA-N 1 2 361.406 1.191 20 5 FDBDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)cn1 ZINC000264680819 179164770 /nfs/dbraw/zinc/16/47/70/179164770.db2.gz PEKAMEZDGKKCOT-UHFFFAOYSA-N 1 2 361.406 1.191 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@H+](CC(N)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000268483973 180094524 /nfs/dbraw/zinc/09/45/24/180094524.db2.gz MAGCKAHOBDZKKZ-UHFFFAOYSA-N 1 2 352.391 1.518 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000268483973 180094526 /nfs/dbraw/zinc/09/45/26/180094526.db2.gz MAGCKAHOBDZKKZ-UHFFFAOYSA-N 1 2 352.391 1.518 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000269466791 180309684 /nfs/dbraw/zinc/30/96/84/180309684.db2.gz IICJFIXHJROLLW-JTQLQIEISA-N 1 2 366.447 1.690 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000269466791 180309685 /nfs/dbraw/zinc/30/96/85/180309685.db2.gz IICJFIXHJROLLW-JTQLQIEISA-N 1 2 366.447 1.690 20 5 FDBDLO C[C@@H]1C[C@H](C)N1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000530379681 539956639 /nfs/dbraw/zinc/95/66/39/539956639.db2.gz ZIAJOICJRYLKOS-BETUJISGSA-N 1 2 368.459 1.518 20 5 FDBDLO Cc1cc(=O)c(C(=O)NC2C[NH+](C(C)C)C2)nn1-c1ccccc1[N+](=O)[O-] ZINC000275170389 181253727 /nfs/dbraw/zinc/25/37/27/181253727.db2.gz AIFQMWQJCQMXCG-UHFFFAOYSA-N 1 2 371.397 1.272 20 5 FDBDLO CC(C)(C)OC(=O)C1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000533515960 540257889 /nfs/dbraw/zinc/25/78/89/540257889.db2.gz XPXOWRJTGCGAJB-CYBMUJFWSA-N 1 2 354.407 1.396 20 5 FDBDLO CCn1cc(S(=O)(=O)NCc2cn3ccc(C)cc3[nH+]2)c([N+](=O)[O-])n1 ZINC000533635247 540274150 /nfs/dbraw/zinc/27/41/50/540274150.db2.gz SRKGBRDVQJWRSJ-UHFFFAOYSA-N 1 2 364.387 1.246 20 5 FDBDLO Cn1cc(C[NH+]2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000536234143 540570037 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1 2 352.387 1.922 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000541821980 541272761 /nfs/dbraw/zinc/27/27/61/541272761.db2.gz DNASWISCECGRPN-ZDUSSCGKSA-N 1 2 371.459 1.458 20 5 FDBDLO COCC[NH+]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000543829621 541668485 /nfs/dbraw/zinc/66/84/85/541668485.db2.gz XWVQGUAGAZXQPS-UHFFFAOYSA-N 1 2 359.329 1.600 20 5 FDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544395014 541764174 /nfs/dbraw/zinc/76/41/74/541764174.db2.gz CAWKBLZOMOXOEV-GFCCVEGCSA-N 1 2 370.413 1.327 20 5 FDBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000031941889 203885300 /nfs/dbraw/zinc/88/53/00/203885300.db2.gz VVPLTTQFAYAPRB-MRXNPFEDSA-N 1 2 351.428 1.533 20 5 FDBDLO O=[N+]([O-])c1ncn(Cc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)n1 ZINC000544997043 541863221 /nfs/dbraw/zinc/86/32/21/541863221.db2.gz CYLQHMSKMJFPMS-UHFFFAOYSA-N 1 2 371.357 1.117 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000027564406 204865816 /nfs/dbraw/zinc/86/58/16/204865816.db2.gz YBNNEAVMXOTAJT-LBPRGKRZSA-N 1 2 364.402 1.485 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCN(C(C)=O)CC1 ZINC000027564406 204865820 /nfs/dbraw/zinc/86/58/20/204865820.db2.gz YBNNEAVMXOTAJT-LBPRGKRZSA-N 1 2 364.402 1.485 20 5 FDBDLO COc1ccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)cc1[N+](=O)[O-] ZINC000051563362 205183879 /nfs/dbraw/zinc/18/38/79/205183879.db2.gz XEKWOLAWBRMPTR-UHFFFAOYSA-N 1 2 350.419 1.246 20 5 FDBDLO CC(C)[C@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000015161497 220148019 /nfs/dbraw/zinc/14/80/19/220148019.db2.gz RMXKZUQQUYHRLV-ZDUSSCGKSA-N 1 2 370.475 1.987 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000283886884 182305024 /nfs/dbraw/zinc/30/50/24/182305024.db2.gz CNOFZQHCRRWBLP-DLBZAZTESA-N 1 2 358.398 1.481 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000283886884 182305025 /nfs/dbraw/zinc/30/50/25/182305025.db2.gz CNOFZQHCRRWBLP-DLBZAZTESA-N 1 2 358.398 1.481 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286220967 183017347 /nfs/dbraw/zinc/01/73/47/183017347.db2.gz YSZCHDHDQQZNFB-CZUORRHYSA-N 1 2 373.413 1.940 20 5 FDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000286500868 183082593 /nfs/dbraw/zinc/08/25/93/183082593.db2.gz SBCVXVRBJWBVGP-UHFFFAOYSA-N 1 2 364.446 1.890 20 5 FDBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000295151434 184038701 /nfs/dbraw/zinc/03/87/01/184038701.db2.gz BSPOAOCXPQYXRM-KBPBESRZSA-N 1 2 363.414 1.471 20 5 FDBDLO C[C@H](O)C[N@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000295151434 184038702 /nfs/dbraw/zinc/03/87/02/184038702.db2.gz BSPOAOCXPQYXRM-KBPBESRZSA-N 1 2 363.414 1.471 20 5 FDBDLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296467315 184169251 /nfs/dbraw/zinc/16/92/51/184169251.db2.gz JTXHBIUJPXWCPX-CQSZACIVSA-N 1 2 357.432 1.062 20 5 FDBDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296993308 184223640 /nfs/dbraw/zinc/22/36/40/184223640.db2.gz ZPRAQFIWQFIBKS-AWEZNQCLSA-N 1 2 350.375 1.330 20 5 FDBDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296993308 184223643 /nfs/dbraw/zinc/22/36/43/184223643.db2.gz ZPRAQFIWQFIBKS-AWEZNQCLSA-N 1 2 350.375 1.330 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297813561 184334079 /nfs/dbraw/zinc/33/40/79/184334079.db2.gz IQLYXCZNQUDOBE-SNVBAGLBSA-N 1 2 370.793 1.024 20 5 FDBDLO C[C@H](O)CNc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC000298113319 184395419 /nfs/dbraw/zinc/39/54/19/184395419.db2.gz BCRDIWKFOXZBLQ-ZDUSSCGKSA-N 1 2 358.402 1.504 20 5 FDBDLO C[C@H](O)CNc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH+]cn1 ZINC000298113319 184395420 /nfs/dbraw/zinc/39/54/20/184395420.db2.gz BCRDIWKFOXZBLQ-ZDUSSCGKSA-N 1 2 358.402 1.504 20 5 FDBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547729711 542429945 /nfs/dbraw/zinc/42/99/45/542429945.db2.gz FKXKSXXZUMUSJM-NSHDSACASA-N 1 2 361.427 2.153 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000172389255 258275498 /nfs/dbraw/zinc/27/54/98/258275498.db2.gz HFYYQRVCOQGJLB-CYBMUJFWSA-N 1 2 355.416 1.045 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-] ZINC000172389255 258275499 /nfs/dbraw/zinc/27/54/99/258275499.db2.gz HFYYQRVCOQGJLB-CYBMUJFWSA-N 1 2 355.416 1.045 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000172615798 258281024 /nfs/dbraw/zinc/28/10/24/258281024.db2.gz NZRBTIJXAZLRBA-GFCCVEGCSA-N 1 2 357.432 1.150 20 5 FDBDLO CCN1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548672567 542741691 /nfs/dbraw/zinc/74/16/91/542741691.db2.gz RSFMMXQJMIUXEA-HNNXBMFYSA-N 1 2 358.402 1.906 20 5 FDBDLO Nc1nccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000548741982 542769195 /nfs/dbraw/zinc/76/91/95/542769195.db2.gz QXOGKGHZWVIYJZ-DAXSKMNVSA-N 1 2 367.409 2.043 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000548931023 542810005 /nfs/dbraw/zinc/81/00/05/542810005.db2.gz YZJRQKCRIMQJII-QWRGUYRKSA-N 1 2 360.374 1.257 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000548936463 542810572 /nfs/dbraw/zinc/81/05/72/542810572.db2.gz SFENMKKWIRQKKZ-CYBMUJFWSA-N 1 2 370.413 2.094 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000548936463 542810574 /nfs/dbraw/zinc/81/05/74/542810574.db2.gz SFENMKKWIRQKKZ-CYBMUJFWSA-N 1 2 370.413 2.094 20 5 FDBDLO COCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000552422899 543465072 /nfs/dbraw/zinc/46/50/72/543465072.db2.gz HZUKEUIXLSQFTH-UHFFFAOYSA-N 1 2 373.413 1.028 20 5 FDBDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072553490 172043869 /nfs/dbraw/zinc/04/38/69/172043869.db2.gz FVVLMFUCTDMLRN-RHSMWYFYSA-N 1 2 362.430 1.401 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000081016151 172180964 /nfs/dbraw/zinc/18/09/64/172180964.db2.gz UUGZDTJMJQHANE-GFCCVEGCSA-N 1 2 361.345 1.326 20 5 FDBDLO Cc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC000103100568 172358986 /nfs/dbraw/zinc/35/89/86/172358986.db2.gz HOQJWJMUKJEQQD-UHFFFAOYSA-N 1 2 359.386 1.684 20 5 FDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000104595135 172381271 /nfs/dbraw/zinc/38/12/71/172381271.db2.gz PIRDWRCHRWNEBG-MNOVXSKESA-N 1 2 352.347 1.342 20 5 FDBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000127890688 173093067 /nfs/dbraw/zinc/09/30/67/173093067.db2.gz WNGIYGCGIHCEMU-UHFFFAOYSA-N 1 2 351.388 1.280 20 5 FDBDLO O=C(C[NH+]1CCC(O)(C(F)(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128303639 173105973 /nfs/dbraw/zinc/10/59/73/173105973.db2.gz SXFNMFUQUQTIHV-UHFFFAOYSA-N 1 2 373.331 1.873 20 5 FDBDLO CCC(CC)[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000129930951 173154912 /nfs/dbraw/zinc/15/49/12/173154912.db2.gz MWONIKUYGCVMCQ-OAHLLOKOSA-N 1 2 353.423 1.045 20 5 FDBDLO Cc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000133152384 173255529 /nfs/dbraw/zinc/25/55/29/173255529.db2.gz QOYYUVKCENVNDZ-UHFFFAOYSA-N 1 2 355.398 1.719 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134301064 173321787 /nfs/dbraw/zinc/32/17/87/173321787.db2.gz MNVCVCUAXACKDQ-CQSZACIVSA-N 1 2 357.432 1.506 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134301064 173321789 /nfs/dbraw/zinc/32/17/89/173321789.db2.gz MNVCVCUAXACKDQ-CQSZACIVSA-N 1 2 357.432 1.506 20 5 FDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000134813253 173333466 /nfs/dbraw/zinc/33/34/66/173333466.db2.gz HMRZGRCTIZMXRQ-OAHLLOKOSA-N 1 2 358.398 1.598 20 5 FDBDLO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000134813253 173333469 /nfs/dbraw/zinc/33/34/69/173333469.db2.gz HMRZGRCTIZMXRQ-OAHLLOKOSA-N 1 2 358.398 1.598 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136035052 173355665 /nfs/dbraw/zinc/35/56/65/173355665.db2.gz DCSHSDRCKGSCKZ-CYBMUJFWSA-N 1 2 359.386 1.231 20 5 FDBDLO CCc1nc(CN2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)no1 ZINC000177298874 174119916 /nfs/dbraw/zinc/11/99/16/174119916.db2.gz WQECMOZVDZHSHM-UHFFFAOYSA-N 1 2 361.402 1.867 20 5 FDBDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177363815 174125037 /nfs/dbraw/zinc/12/50/37/174125037.db2.gz QWPZSMJVBBEUJO-TZMCWYRMSA-N 1 2 360.370 1.704 20 5 FDBDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)c1C ZINC000178597695 174196521 /nfs/dbraw/zinc/19/65/21/174196521.db2.gz XVSKYMBAQUYTSW-UHFFFAOYSA-N 1 2 362.390 1.653 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000179545157 258353956 /nfs/dbraw/zinc/35/39/56/258353956.db2.gz YXJWOJNKIUCQEI-UHFFFAOYSA-N 1 2 371.459 1.168 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000179545157 258353957 /nfs/dbraw/zinc/35/39/57/258353957.db2.gz YXJWOJNKIUCQEI-UHFFFAOYSA-N 1 2 371.459 1.168 20 5 FDBDLO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000180135657 258363049 /nfs/dbraw/zinc/36/30/49/258363049.db2.gz WIBBOEVJTFFHDF-STQMWFEESA-N 1 2 351.403 1.920 20 5 FDBDLO CC(C)C(=O)NCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179280590 258347854 /nfs/dbraw/zinc/34/78/54/258347854.db2.gz UTAPKSMDGZXLLJ-UHFFFAOYSA-N 1 2 359.386 1.625 20 5 FDBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000267050721 258423681 /nfs/dbraw/zinc/42/36/81/258423681.db2.gz DYAXFNHKWDILFH-MRXNPFEDSA-N 1 2 371.397 1.856 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)C2 ZINC000556833020 544210293 /nfs/dbraw/zinc/21/02/93/544210293.db2.gz QTWINXWOMCYBSJ-GFCCVEGCSA-N 1 2 359.386 1.083 20 5 FDBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000559260940 544616658 /nfs/dbraw/zinc/61/66/58/544616658.db2.gz LHKKMMWEGSJNNT-UHFFFAOYSA-N 1 2 374.386 1.231 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000299087310 258970937 /nfs/dbraw/zinc/97/09/37/258970937.db2.gz YCTFLNZJCZVLJL-CQSZACIVSA-N 1 2 362.430 1.646 20 5 FDBDLO Cc1ccnc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301307568 259025529 /nfs/dbraw/zinc/02/55/29/259025529.db2.gz VRHOLEMLJBSVKV-AWEZNQCLSA-N 1 2 361.446 1.868 20 5 FDBDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)S1 ZINC000301588402 259030370 /nfs/dbraw/zinc/03/03/70/259030370.db2.gz PUENGNDPVXHQII-SNVBAGLBSA-N 1 2 374.426 1.857 20 5 FDBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302195064 259040089 /nfs/dbraw/zinc/04/00/89/259040089.db2.gz OAZFPONEWAHYIA-LLVKDONJSA-N 1 2 359.415 1.977 20 5 FDBDLO Cc1cc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330799085 259163374 /nfs/dbraw/zinc/16/33/74/259163374.db2.gz HWHPHXKWSURUFP-KBPBESRZSA-N 1 2 371.459 1.681 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330857929 259165982 /nfs/dbraw/zinc/16/59/82/259165982.db2.gz UQEYVOUWGWJIKC-ZDUSSCGKSA-N 1 2 357.432 1.244 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330857929 259165983 /nfs/dbraw/zinc/16/59/83/259165983.db2.gz UQEYVOUWGWJIKC-ZDUSSCGKSA-N 1 2 357.432 1.244 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000330984937 259172204 /nfs/dbraw/zinc/17/22/04/259172204.db2.gz YHJFCCNITCCFTC-GHMZBOCLSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000330984937 259172205 /nfs/dbraw/zinc/17/22/05/259172205.db2.gz YHJFCCNITCCFTC-GHMZBOCLSA-N 1 2 371.415 1.095 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])n1 ZINC000331857113 259224459 /nfs/dbraw/zinc/22/44/59/259224459.db2.gz ROLFZEJUKCGXKU-RYUDHWBXSA-N 1 2 368.419 1.280 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332492081 259270804 /nfs/dbraw/zinc/27/08/04/259270804.db2.gz YANIAKXFFZQFPS-GOEBONIOSA-N 1 2 364.402 1.218 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332492081 259270805 /nfs/dbraw/zinc/27/08/05/259270805.db2.gz YANIAKXFFZQFPS-GOEBONIOSA-N 1 2 364.402 1.218 20 5 FDBDLO CSc1cccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000332538239 259274858 /nfs/dbraw/zinc/27/48/58/259274858.db2.gz ZIJCXXXVJDFXDB-STQMWFEESA-N 1 2 351.428 1.862 20 5 FDBDLO CSc1cccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000332538239 259274859 /nfs/dbraw/zinc/27/48/59/259274859.db2.gz ZIJCXXXVJDFXDB-STQMWFEESA-N 1 2 351.428 1.862 20 5 FDBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000365191303 259820696 /nfs/dbraw/zinc/82/06/96/259820696.db2.gz KWIQDRSKWOVQML-CYBMUJFWSA-N 1 2 357.432 1.507 20 5 FDBDLO CCOc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)ccc1[N+](=O)[O-] ZINC000365191303 259820697 /nfs/dbraw/zinc/82/06/97/259820697.db2.gz KWIQDRSKWOVQML-CYBMUJFWSA-N 1 2 357.432 1.507 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000367523942 260054539 /nfs/dbraw/zinc/05/45/39/260054539.db2.gz HOKKMAKERBNMHS-ZDUSSCGKSA-N 1 2 357.457 1.407 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000368020934 260124989 /nfs/dbraw/zinc/12/49/89/260124989.db2.gz MVTXCOMKDQQRBD-AWEZNQCLSA-N 1 2 364.427 1.577 20 5 FDBDLO O=C1C[C@H]([N@@H+]2CCC[C@@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368875953 260253032 /nfs/dbraw/zinc/25/30/32/260253032.db2.gz NSZLXTQYXZHJDO-CVEARBPZSA-N 1 2 369.381 1.760 20 5 FDBDLO O=C1C[C@H]([N@H+]2CCC[C@@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368875953 260253034 /nfs/dbraw/zinc/25/30/34/260253034.db2.gz NSZLXTQYXZHJDO-CVEARBPZSA-N 1 2 369.381 1.760 20 5 FDBDLO O=C1C[C@H]([N@@H+]2CCC[C@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368875954 260253575 /nfs/dbraw/zinc/25/35/75/260253575.db2.gz NSZLXTQYXZHJDO-HOTGVXAUSA-N 1 2 369.381 1.760 20 5 FDBDLO O=C1C[C@H]([N@H+]2CCC[C@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368875954 260253576 /nfs/dbraw/zinc/25/35/76/260253576.db2.gz NSZLXTQYXZHJDO-HOTGVXAUSA-N 1 2 369.381 1.760 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000369061703 260288828 /nfs/dbraw/zinc/28/88/28/260288828.db2.gz FPSOLRLTNJAFTF-HNNXBMFYSA-N 1 2 372.425 1.475 20 5 FDBDLO O=C(C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000369061703 260288829 /nfs/dbraw/zinc/28/88/29/260288829.db2.gz FPSOLRLTNJAFTF-HNNXBMFYSA-N 1 2 372.425 1.475 20 5 FDBDLO 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358.402 1.185 20 5 FDBDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610002126 554448261 /nfs/dbraw/zinc/44/82/61/554448261.db2.gz FAUQJRFZICFTSP-LLVKDONJSA-N 1 2 351.359 1.763 20 5 FDBDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610002126 554448263 /nfs/dbraw/zinc/44/82/63/554448263.db2.gz FAUQJRFZICFTSP-LLVKDONJSA-N 1 2 351.359 1.763 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CCCS1(=O)=O ZINC000610604201 554537747 /nfs/dbraw/zinc/53/77/47/554537747.db2.gz HARUCKIKPNTDCR-UHFFFAOYSA-N 1 2 357.432 1.461 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604201 554537751 /nfs/dbraw/zinc/53/77/51/554537751.db2.gz HARUCKIKPNTDCR-UHFFFAOYSA-N 1 2 357.432 1.461 20 5 FDBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000611170270 554611497 /nfs/dbraw/zinc/61/14/97/554611497.db2.gz ZTSMBYFVLGNICV-AWEZNQCLSA-N 1 2 353.444 1.542 20 5 FDBDLO COC(=O)CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C 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COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000288084345 183388843 /nfs/dbraw/zinc/38/88/43/183388843.db2.gz VZTHEZARNFEFAS-ZDUSSCGKSA-N 1 2 350.419 1.738 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296941920 184217360 /nfs/dbraw/zinc/21/73/60/184217360.db2.gz XMHAUKHQEHONMU-BXUZGUMPSA-N 1 2 350.375 1.694 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296941920 184217361 /nfs/dbraw/zinc/21/73/61/184217361.db2.gz XMHAUKHQEHONMU-BXUZGUMPSA-N 1 2 350.375 1.694 20 5 FDBDLO Cc1nc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)ncc1[N+](=O)[O-] ZINC000297469134 184275422 /nfs/dbraw/zinc/27/54/22/184275422.db2.gz KSPRVBLEHAINAF-UHFFFAOYSA-N 1 2 372.429 1.817 20 5 FDBDLO CC(C)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000298066821 184385674 /nfs/dbraw/zinc/38/56/74/184385674.db2.gz DIWNBGVMIIANAI-UHFFFAOYSA-N 1 2 350.419 1.624 20 5 FDBDLO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000548024371 542530578 /nfs/dbraw/zinc/53/05/78/542530578.db2.gz ALYNEWCMBPFYAD-MRXNPFEDSA-N 1 2 351.378 1.585 20 5 FDBDLO O=C(NC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1)C1CC1 ZINC000171758363 258269523 /nfs/dbraw/zinc/26/95/23/258269523.db2.gz IVZJYDBEVOEDTI-KRWDZBQOSA-N 1 2 372.425 1.691 20 5 FDBDLO C[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000172811776 258285784 /nfs/dbraw/zinc/28/57/84/258285784.db2.gz PFLVYUVLNGVWQL-CYBMUJFWSA-N 1 2 368.459 1.520 20 5 FDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000552047267 543411221 /nfs/dbraw/zinc/41/12/21/543411221.db2.gz GCKKMBZXGYHQEY-IAGOWNOFSA-N 1 2 360.414 1.795 20 5 FDBDLO CC(C)OCCN1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000074798482 172086428 /nfs/dbraw/zinc/08/64/28/172086428.db2.gz GNNKXWDIZPHYTP-QGZVFWFLSA-N 1 2 367.446 1.377 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000075685733 172094089 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374.441 1.212 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1cccc(F)c1 ZINC000180516081 258370096 /nfs/dbraw/zinc/37/00/96/258370096.db2.gz FXPCWEVTLHEGJV-CQSZACIVSA-N 1 2 370.344 1.964 20 5 FDBDLO COc1ccc(OCC[NH+]2CCN(c3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC000173570258 258303719 /nfs/dbraw/zinc/30/37/19/258303719.db2.gz JDLSNSSOAKIGJH-UHFFFAOYSA-N 1 2 359.386 1.594 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000173638239 258305769 /nfs/dbraw/zinc/30/57/69/258305769.db2.gz JDAKJMQAJAELHB-GFCCVEGCSA-N 1 2 358.402 1.948 20 5 FDBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000279324813 258547368 /nfs/dbraw/zinc/54/73/68/258547368.db2.gz CECWGTMLZQMSLR-UHFFFAOYSA-N 1 2 374.372 1.980 20 5 FDBDLO CNc1nccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000553461118 543640928 /nfs/dbraw/zinc/64/09/28/543640928.db2.gz IFBWMXBSLHNLLW-ZDUSSCGKSA-N 1 2 370.413 1.946 20 5 FDBDLO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000556871175 544216584 /nfs/dbraw/zinc/21/65/84/544216584.db2.gz KJSAQLKHWRXWNB-RHSMWYFYSA-N 1 2 367.413 1.922 20 5 FDBDLO CCc1nncn1CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556869033 544216603 /nfs/dbraw/zinc/21/66/03/544216603.db2.gz DJMLNCXODSHICC-INIZCTEOSA-N 1 2 355.402 1.861 20 5 FDBDLO O=C([C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)N1CCOCC1 ZINC000559928129 544845051 /nfs/dbraw/zinc/84/50/51/544845051.db2.gz AXFIXYGTAFMKFQ-LBPRGKRZSA-N 1 2 369.368 1.944 20 5 FDBDLO O=C([C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1)N1CCOCC1 ZINC000559928129 544845055 /nfs/dbraw/zinc/84/50/55/544845055.db2.gz AXFIXYGTAFMKFQ-LBPRGKRZSA-N 1 2 369.368 1.944 20 5 FDBDLO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000299418368 258996094 /nfs/dbraw/zinc/99/60/94/258996094.db2.gz WQKAFCQTOBSHCU-GFCCVEGCSA-N 1 2 357.370 1.971 20 5 FDBDLO COc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000301620597 259030688 /nfs/dbraw/zinc/03/06/88/259030688.db2.gz MOIGZXBOEXWBMO-NSHDSACASA-N 1 2 366.393 1.532 20 5 FDBDLO CC[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000301877028 259035502 /nfs/dbraw/zinc/03/55/02/259035502.db2.gz IYZLVWDAZVHQCG-QWHCGFSZSA-N 1 2 371.459 1.280 20 5 FDBDLO CC[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000301877028 259035503 /nfs/dbraw/zinc/03/55/03/259035503.db2.gz IYZLVWDAZVHQCG-QWHCGFSZSA-N 1 2 371.459 1.280 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000312588532 259048588 /nfs/dbraw/zinc/04/85/88/259048588.db2.gz WXEFDAGGGYBBGB-INIZCTEOSA-N 1 2 371.393 1.931 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000312588532 259048589 /nfs/dbraw/zinc/04/85/89/259048589.db2.gz WXEFDAGGGYBBGB-INIZCTEOSA-N 1 2 371.393 1.931 20 5 FDBDLO CC[NH+]1C[C@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000330864185 259166462 /nfs/dbraw/zinc/16/64/62/259166462.db2.gz WWADARZEDSBPTA-KBPBESRZSA-N 1 2 355.460 1.783 20 5 FDBDLO O=C(CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367990346 260120545 /nfs/dbraw/zinc/12/05/45/260120545.db2.gz VKZZYDQJJUNVDH-NSHDSACASA-N 1 2 360.374 1.627 20 5 FDBDLO O=C(CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000367990346 260120546 /nfs/dbraw/zinc/12/05/46/260120546.db2.gz VKZZYDQJJUNVDH-NSHDSACASA-N 1 2 360.374 1.627 20 5 FDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368221497 260152436 /nfs/dbraw/zinc/15/24/36/260152436.db2.gz INXDUVXYSIKYJV-SWLSCSKDSA-N 1 2 359.386 1.722 20 5 FDBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000368221497 260152438 /nfs/dbraw/zinc/15/24/38/260152438.db2.gz INXDUVXYSIKYJV-SWLSCSKDSA-N 1 2 359.386 1.722 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368645898 260214166 /nfs/dbraw/zinc/21/41/66/260214166.db2.gz VBMVTAPCEYRAKH-INWMFGNUSA-N 1 2 363.414 1.920 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368645898 260214167 /nfs/dbraw/zinc/21/41/67/260214167.db2.gz VBMVTAPCEYRAKH-INWMFGNUSA-N 1 2 363.414 1.920 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369062068 260288520 /nfs/dbraw/zinc/28/85/20/260288520.db2.gz GOLMWVLHWYVHMF-GXTWGEPZSA-N 1 2 360.414 1.912 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369062068 260288521 /nfs/dbraw/zinc/28/85/21/260288521.db2.gz GOLMWVLHWYVHMF-GXTWGEPZSA-N 1 2 360.414 1.912 20 5 FDBDLO Cc1cccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c1[N+](=O)[O-] ZINC000369324275 260341330 /nfs/dbraw/zinc/34/13/30/260341330.db2.gz VLCHZMHFCCKILF-UHFFFAOYSA-N 1 2 374.441 1.849 20 5 FDBDLO CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCN(c2cccc[nH+]2)CC1 ZINC000370737366 260596708 /nfs/dbraw/zinc/59/67/08/260596708.db2.gz HULIYDXLJSZCDC-UHFFFAOYSA-N 1 2 373.417 1.497 20 5 FDBDLO Cc1cc(N2CC[C@H]3OCC(=O)N[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000373766164 261038648 /nfs/dbraw/zinc/03/86/48/261038648.db2.gz LTGDKMGXPRQRSS-HUUCEWRRSA-N 1 2 369.381 1.454 20 5 FDBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000373809545 261042766 /nfs/dbraw/zinc/04/27/66/261042766.db2.gz JKGIVWPPIRWCAY-SCLBCKFNSA-N 1 2 361.398 1.364 20 5 FDBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000373809545 261042767 /nfs/dbraw/zinc/04/27/67/261042767.db2.gz JKGIVWPPIRWCAY-SCLBCKFNSA-N 1 2 361.398 1.364 20 5 FDBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000373809544 261043024 /nfs/dbraw/zinc/04/30/24/261043024.db2.gz JKGIVWPPIRWCAY-FZKQIMNGSA-N 1 2 361.398 1.364 20 5 FDBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000373809544 261043025 /nfs/dbraw/zinc/04/30/25/261043025.db2.gz JKGIVWPPIRWCAY-FZKQIMNGSA-N 1 2 361.398 1.364 20 5 FDBDLO COc1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000374349096 261115085 /nfs/dbraw/zinc/11/50/85/261115085.db2.gz ALFJFAJEBARGRR-NSHDSACASA-N 1 2 360.370 1.975 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000374774112 261193136 /nfs/dbraw/zinc/19/31/36/261193136.db2.gz HTSUXIMIZTUNBS-HNNXBMFYSA-N 1 2 359.386 1.846 20 5 FDBDLO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000374812969 261201906 /nfs/dbraw/zinc/20/19/06/261201906.db2.gz WRHJJZMKUHJTQB-UHFFFAOYSA-N 1 2 364.427 1.296 20 5 FDBDLO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000374812969 261201908 /nfs/dbraw/zinc/20/19/08/261201908.db2.gz WRHJJZMKUHJTQB-UHFFFAOYSA-N 1 2 364.427 1.296 20 5 FDBDLO COC(=O)c1cnc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1 ZINC000377023986 261704787 /nfs/dbraw/zinc/70/47/87/261704787.db2.gz VNSDZUFAJTVUGX-UHFFFAOYSA-N 1 2 354.326 1.969 20 5 FDBDLO Cc1[nH+]c(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c2n1CCCC2 ZINC000378288101 262001767 /nfs/dbraw/zinc/00/17/67/262001767.db2.gz JNROKAIMIRATOJ-UHFFFAOYSA-N 1 2 350.400 1.915 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000378371292 262013388 /nfs/dbraw/zinc/01/33/88/262013388.db2.gz OKXZDDYUBNWLNN-SWLSCSKDSA-N 1 2 371.397 1.810 20 5 FDBDLO CCn1cc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000407989663 262065870 /nfs/dbraw/zinc/06/58/70/262065870.db2.gz IMEFCVLJRATXRI-RYUDHWBXSA-N 1 2 357.436 1.059 20 5 FDBDLO CCn1cc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000407989663 262065874 /nfs/dbraw/zinc/06/58/74/262065874.db2.gz IMEFCVLJRATXRI-RYUDHWBXSA-N 1 2 357.436 1.059 20 5 FDBDLO O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518229148 490934061 /nfs/dbraw/zinc/93/40/61/490934061.db2.gz FMALBRSNOXOWBA-UHFFFAOYSA-N 1 2 374.401 1.174 20 5 FDBDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000011075059 518550929 /nfs/dbraw/zinc/55/09/29/518550929.db2.gz UNQNPHHQSPAUAE-UHFFFAOYSA-N 1 2 359.386 1.648 20 5 FDBDLO Cc1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)ccc1[N+](=O)[O-] ZINC000011990165 518582561 /nfs/dbraw/zinc/58/25/61/518582561.db2.gz HGOJHVSFRCTVKP-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO Cc1cc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)ccc1[N+](=O)[O-] ZINC000011990165 518582567 /nfs/dbraw/zinc/58/25/67/518582567.db2.gz HGOJHVSFRCTVKP-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023800932 518967338 /nfs/dbraw/zinc/96/73/38/518967338.db2.gz GASFLQTYKFAGEJ-UHFFFAOYSA-N 1 2 356.382 1.713 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693612 519245310 /nfs/dbraw/zinc/24/53/10/519245310.db2.gz RNPMTOGOXISQPV-UHFFFAOYSA-N 1 2 356.382 1.956 20 5 FDBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000029532132 519299584 /nfs/dbraw/zinc/29/95/84/519299584.db2.gz YKUMBEQWDSGKLD-LLVKDONJSA-N 1 2 366.447 1.341 20 5 FDBDLO Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1[N+](=O)[O-] ZINC000031942903 519472657 /nfs/dbraw/zinc/47/26/57/519472657.db2.gz HNHDZWKJCAOIGG-QGZVFWFLSA-N 1 2 365.455 1.841 20 5 FDBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032355248 519495972 /nfs/dbraw/zinc/49/59/72/519495972.db2.gz YIMZPFWRLRXVPD-UHFFFAOYSA-N 1 2 372.381 1.522 20 5 FDBDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000056329694 521839276 /nfs/dbraw/zinc/83/92/76/521839276.db2.gz YOMUCEPZFMXLJK-UHFFFAOYSA-N 1 2 371.401 1.329 20 5 FDBDLO COc1ccc(CSCC(=O)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000046121285 522229132 /nfs/dbraw/zinc/22/91/32/522229132.db2.gz JNBLGQWTNNUTCG-UHFFFAOYSA-N 1 2 369.443 1.285 20 5 FDBDLO CCN(CC)C(=O)CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065222915 522792801 /nfs/dbraw/zinc/79/28/01/522792801.db2.gz ZPKQQMFCFFGQQJ-UHFFFAOYSA-N 1 2 364.446 1.460 20 5 FDBDLO CCN(CC)C(=O)C[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065222915 522792807 /nfs/dbraw/zinc/79/28/07/522792807.db2.gz ZPKQQMFCFFGQQJ-UHFFFAOYSA-N 1 2 364.446 1.460 20 5 FDBDLO CC(C)C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000049737210 522860459 /nfs/dbraw/zinc/86/04/59/522860459.db2.gz RGOSAKRDKBTIBZ-OAHLLOKOSA-N 1 2 371.459 1.620 20 5 FDBDLO COCCNC(=O)CN1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075586355 522938029 /nfs/dbraw/zinc/93/80/29/522938029.db2.gz DCROEHBGDPLGTP-CQSZACIVSA-N 1 2 350.419 1.036 20 5 FDBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066283778 523006381 /nfs/dbraw/zinc/00/63/81/523006381.db2.gz VHAJIKVFAYUNJD-UHFFFAOYSA-N 1 2 368.349 1.986 20 5 FDBDLO CC[C@H](C)NC(=O)CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051422959 523019989 /nfs/dbraw/zinc/01/99/89/523019989.db2.gz VMMVEJKPVGFJBT-HNNXBMFYSA-N 1 2 364.446 1.506 20 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ZINC000055357245 523801635 /nfs/dbraw/zinc/80/16/35/523801635.db2.gz CWCBWMJWHDYPNK-UHFFFAOYSA-N 1 2 361.383 1.545 20 5 FDBDLO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000068775580 523856059 /nfs/dbraw/zinc/85/60/59/523856059.db2.gz PVRVDVQMLJYGQT-UHFFFAOYSA-N 1 2 369.443 1.555 20 5 FDBDLO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000068775580 523856065 /nfs/dbraw/zinc/85/60/65/523856065.db2.gz PVRVDVQMLJYGQT-UHFFFAOYSA-N 1 2 369.443 1.555 20 5 FDBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135736299 524166768 /nfs/dbraw/zinc/16/67/68/524166768.db2.gz VIXPYMYIJZQMFW-GFCCVEGCSA-N 1 2 357.407 1.734 20 5 FDBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135736299 524166776 /nfs/dbraw/zinc/16/67/76/524166776.db2.gz VIXPYMYIJZQMFW-GFCCVEGCSA-N 1 2 357.407 1.734 20 5 FDBDLO COc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000110959848 524174061 /nfs/dbraw/zinc/17/40/61/524174061.db2.gz MQPIVRBYKHLNSW-OAHLLOKOSA-N 1 2 363.414 1.930 20 5 FDBDLO O=C(C1CC1)N1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000121258139 524201800 /nfs/dbraw/zinc/20/18/00/524201800.db2.gz NEKGOIDVVQLDDX-KRWDZBQOSA-N 1 2 372.425 1.644 20 5 FDBDLO O=C(C1CC1)N1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000121258139 524201807 /nfs/dbraw/zinc/20/18/07/524201807.db2.gz NEKGOIDVVQLDDX-KRWDZBQOSA-N 1 2 372.425 1.644 20 5 FDBDLO CCOCCO[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000157672193 524319164 /nfs/dbraw/zinc/31/91/64/524319164.db2.gz CSSZFPFOGLKDAM-INIZCTEOSA-N 1 2 351.403 1.685 20 5 FDBDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000157672193 524319170 /nfs/dbraw/zinc/31/91/70/524319170.db2.gz CSSZFPFOGLKDAM-INIZCTEOSA-N 1 2 351.403 1.685 20 5 FDBDLO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173533509 524411676 /nfs/dbraw/zinc/41/16/76/524411676.db2.gz CQDWFQKKXGYQSN-GFCCVEGCSA-N 1 2 357.819 1.883 20 5 FDBDLO Cn1cc(N2CCC[C@H]([N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)C2=O)cn1 ZINC000088606470 524460259 /nfs/dbraw/zinc/46/02/59/524460259.db2.gz ZNRNLKDQILVQOH-KRWDZBQOSA-N 1 2 355.398 1.882 20 5 FDBDLO Cn1cc(N2CCC[C@H]([N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)C2=O)cn1 ZINC000088606470 524460268 /nfs/dbraw/zinc/46/02/68/524460268.db2.gz ZNRNLKDQILVQOH-KRWDZBQOSA-N 1 2 355.398 1.882 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000151275885 524547873 /nfs/dbraw/zinc/54/78/73/524547873.db2.gz WMNZFCJCFCWOLJ-AWEZNQCLSA-N 1 2 353.400 1.910 20 5 FDBDLO Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000159322311 524641872 /nfs/dbraw/zinc/64/18/72/524641872.db2.gz RVPAJSLEWNULJH-CYBMUJFWSA-N 1 2 362.411 1.855 20 5 FDBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000114800735 524876750 /nfs/dbraw/zinc/87/67/50/524876750.db2.gz GKJDZWJZYBDDIY-GFCCVEGCSA-N 1 2 357.370 1.609 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000175120642 524877208 /nfs/dbraw/zinc/87/72/08/524877208.db2.gz DMVMPUBXZVXAKG-HNNXBMFYSA-N 1 2 369.443 1.353 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000175120642 524877214 /nfs/dbraw/zinc/87/72/14/524877214.db2.gz DMVMPUBXZVXAKG-HNNXBMFYSA-N 1 2 369.443 1.353 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000175155867 524888487 /nfs/dbraw/zinc/88/84/87/524888487.db2.gz DPXWCQHWBOMHTM-ZDUSSCGKSA-N 1 2 357.432 1.507 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000175155867 524888494 /nfs/dbraw/zinc/88/84/94/524888494.db2.gz DPXWCQHWBOMHTM-ZDUSSCGKSA-N 1 2 357.432 1.507 20 5 FDBDLO CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000152927752 525052785 /nfs/dbraw/zinc/05/27/85/525052785.db2.gz ZZIUHWIXTYTVOK-JKSUJKDBSA-N 1 2 363.414 1.785 20 5 FDBDLO COc1ccc(C[NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000176196397 525063084 /nfs/dbraw/zinc/06/30/84/525063084.db2.gz MROAPCDGLQRYSF-UHFFFAOYSA-N 1 2 363.393 1.757 20 5 FDBDLO CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153409589 525204077 /nfs/dbraw/zinc/20/40/77/525204077.db2.gz FQBRHGPCSBSKBH-GFCCVEGCSA-N 1 2 355.416 1.165 20 5 FDBDLO CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153409589 525204083 /nfs/dbraw/zinc/20/40/83/525204083.db2.gz FQBRHGPCSBSKBH-GFCCVEGCSA-N 1 2 355.416 1.165 20 5 FDBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c([N+](=O)[O-])c1 ZINC000116807079 525224956 /nfs/dbraw/zinc/22/49/56/525224956.db2.gz VQAVVFIDEGVNKR-HNNXBMFYSA-N 1 2 372.381 1.568 20 5 FDBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c([N+](=O)[O-])c1 ZINC000116807079 525224965 /nfs/dbraw/zinc/22/49/65/525224965.db2.gz VQAVVFIDEGVNKR-HNNXBMFYSA-N 1 2 372.381 1.568 20 5 FDBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000125993974 525260196 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ZINC000454131036 538518211 /nfs/dbraw/zinc/51/82/11/538518211.db2.gz IWRUORRMBTXTRV-BETUJISGSA-N 1 2 350.375 1.588 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454131036 538518214 /nfs/dbraw/zinc/51/82/14/538518214.db2.gz IWRUORRMBTXTRV-BETUJISGSA-N 1 2 350.375 1.588 20 5 FDBDLO CCN1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1=O ZINC000495208806 538643884 /nfs/dbraw/zinc/64/38/84/538643884.db2.gz GPPJQPDITJXTSS-GFCCVEGCSA-N 1 2 362.386 1.445 20 5 FDBDLO CCN1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1=O ZINC000495208806 538643887 /nfs/dbraw/zinc/64/38/87/538643887.db2.gz GPPJQPDITJXTSS-GFCCVEGCSA-N 1 2 362.386 1.445 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000477607905 538660864 /nfs/dbraw/zinc/66/08/64/538660864.db2.gz QGFQQUYBLAGYNO-NSHDSACASA-N 1 2 351.359 1.010 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000477607905 538660869 /nfs/dbraw/zinc/66/08/69/538660869.db2.gz QGFQQUYBLAGYNO-NSHDSACASA-N 1 2 351.359 1.010 20 5 FDBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000472936890 538723548 /nfs/dbraw/zinc/72/35/48/538723548.db2.gz BSLIVVQZAGDAIH-UHFFFAOYSA-N 1 2 358.354 1.780 20 5 FDBDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000485190679 538828423 /nfs/dbraw/zinc/82/84/23/538828423.db2.gz IOEOTTIWCSCCFN-NSHDSACASA-N 1 2 352.391 1.388 20 5 FDBDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000485190679 538828430 /nfs/dbraw/zinc/82/84/30/538828430.db2.gz IOEOTTIWCSCCFN-NSHDSACASA-N 1 2 352.391 1.388 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000563260323 546469919 /nfs/dbraw/zinc/46/99/19/546469919.db2.gz FANLRMPJAPEEOI-KBPBESRZSA-N 1 2 363.414 1.700 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000563260323 546469922 /nfs/dbraw/zinc/46/99/22/546469922.db2.gz FANLRMPJAPEEOI-KBPBESRZSA-N 1 2 363.414 1.700 20 5 FDBDLO Cc1c[nH+]c(C)nc1N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563425775 546528949 /nfs/dbraw/zinc/52/89/49/546528949.db2.gz RHFWMJCCMIFFIP-UHFFFAOYSA-N 1 2 365.415 1.416 20 5 FDBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000564060738 546792047 /nfs/dbraw/zinc/79/20/47/546792047.db2.gz ZTLMWRMZPWSMDJ-UHFFFAOYSA-N 1 2 354.370 1.867 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NCc1cc(C(N)=O)co1)c1cccc([N+](=O)[O-])c1 ZINC000565126515 547212501 /nfs/dbraw/zinc/21/25/01/547212501.db2.gz RYGQVFNHFMBFFF-OAHLLOKOSA-N 1 2 355.354 1.899 20 5 FDBDLO Cn1cc[nH+]c1[C@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000566865787 547912876 /nfs/dbraw/zinc/91/28/76/547912876.db2.gz LIGUQCDNDROXPW-JTQLQIEISA-N 1 2 360.296 1.377 20 5 FDBDLO CNc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)cc1[N+](=O)[O-] ZINC000576839807 550591831 /nfs/dbraw/zinc/59/18/31/550591831.db2.gz JVYFUMWHRQVKCR-LBPRGKRZSA-N 1 2 364.402 1.251 20 5 FDBDLO CNc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)cc1[N+](=O)[O-] ZINC000576839807 550591832 /nfs/dbraw/zinc/59/18/32/550591832.db2.gz JVYFUMWHRQVKCR-LBPRGKRZSA-N 1 2 364.402 1.251 20 5 FDBDLO O=[N+]([O-])c1ccc2[nH]c(=NC[C@]3([NH+]4CCOCC4)CCSC3)[nH]c2c1 ZINC000578592244 550779860 /nfs/dbraw/zinc/77/98/60/550779860.db2.gz JTFWINAGJOCMRV-MRXNPFEDSA-N 1 2 363.443 1.513 20 5 FDBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580568886 550996247 /nfs/dbraw/zinc/99/62/47/550996247.db2.gz SXGJJGXUTQQVOJ-ZDUSSCGKSA-N 1 2 371.397 1.481 20 5 FDBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580568886 550996248 /nfs/dbraw/zinc/99/62/48/550996248.db2.gz SXGJJGXUTQQVOJ-ZDUSSCGKSA-N 1 2 371.397 1.481 20 5 FDBDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000582944209 551283624 /nfs/dbraw/zinc/28/36/24/551283624.db2.gz PWCIJVVMEBJGQO-UHFFFAOYSA-N 1 2 357.370 1.494 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1[nH]cc[nH+]1)c1cncc(C)c1 ZINC000583369804 551341201 /nfs/dbraw/zinc/34/12/01/551341201.db2.gz NCZDLTQULGAHQS-UHFFFAOYSA-N 1 2 355.358 1.760 20 5 FDBDLO O=C1N=NCN1C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000584758798 551543028 /nfs/dbraw/zinc/54/30/28/551543028.db2.gz QFSVTZMZCXQZLI-HNNXBMFYSA-N 1 2 372.385 1.334 20 5 FDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000587036356 551629672 /nfs/dbraw/zinc/62/96/72/551629672.db2.gz WVXRPGWJOFSWBZ-YPMHNXCESA-N 1 2 373.369 1.120 20 5 FDBDLO Cn1c2cc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588005816 551639740 /nfs/dbraw/zinc/63/97/40/551639740.db2.gz DGIUUUVWKAGWSQ-GFCCVEGCSA-N 1 2 368.397 1.871 20 5 FDBDLO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)cc1[N+](=O)[O-] ZINC000588843239 551692343 /nfs/dbraw/zinc/69/23/43/551692343.db2.gz RBAJKJCVUCYLLI-CYBMUJFWSA-N 1 2 359.386 1.928 20 5 FDBDLO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)cc1[N+](=O)[O-] ZINC000588843239 551692344 /nfs/dbraw/zinc/69/23/44/551692344.db2.gz RBAJKJCVUCYLLI-CYBMUJFWSA-N 1 2 359.386 1.928 20 5 FDBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589184927 551715860 /nfs/dbraw/zinc/71/58/60/551715860.db2.gz AYNDNNRJWRZQMZ-GTBONMDNSA-N 1 2 353.444 1.964 20 5 FDBDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589184927 551715861 /nfs/dbraw/zinc/71/58/61/551715861.db2.gz AYNDNNRJWRZQMZ-GTBONMDNSA-N 1 2 353.444 1.964 20 5 FDBDLO Cn1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1=O ZINC000590206070 551764804 /nfs/dbraw/zinc/76/48/04/551764804.db2.gz UFRROFYJOQZNBM-UHFFFAOYSA-N 1 2 356.382 1.252 20 5 FDBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590763293 551814420 /nfs/dbraw/zinc/81/44/20/551814420.db2.gz OXHKFTIFHDKLAR-SNVBAGLBSA-N 1 2 354.388 1.859 20 5 FDBDLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590890216 551825287 /nfs/dbraw/zinc/82/52/87/551825287.db2.gz IUTWXHOIHZUOGT-CYBMUJFWSA-N 1 2 356.386 1.098 20 5 FDBDLO CCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000592037546 551930083 /nfs/dbraw/zinc/93/00/83/551930083.db2.gz RLKDVJGTSNPNAZ-ABAIWWIYSA-N 1 2 357.432 1.155 20 5 FDBDLO CCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000592037546 551930084 /nfs/dbraw/zinc/93/00/84/551930084.db2.gz RLKDVJGTSNPNAZ-ABAIWWIYSA-N 1 2 357.432 1.155 20 5 FDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000592193681 551956133 /nfs/dbraw/zinc/95/61/33/551956133.db2.gz MSXILVZAGNMUDO-CMPLNLGQSA-N 1 2 373.203 1.713 20 5 FDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000592193681 551956134 /nfs/dbraw/zinc/95/61/34/551956134.db2.gz MSXILVZAGNMUDO-CMPLNLGQSA-N 1 2 373.203 1.713 20 5 FDBDLO CC(C)(C)n1nnc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000594108347 552250278 /nfs/dbraw/zinc/25/02/78/552250278.db2.gz ALOFAQHKDFZYIQ-UHFFFAOYSA-N 1 2 370.373 1.452 20 5 FDBDLO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471536 552317732 /nfs/dbraw/zinc/31/77/32/552317732.db2.gz HMDFAHPSDVUXBX-MELADBBJSA-N 1 2 371.459 1.512 20 5 FDBDLO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471536 552317734 /nfs/dbraw/zinc/31/77/34/552317734.db2.gz HMDFAHPSDVUXBX-MELADBBJSA-N 1 2 371.459 1.512 20 5 FDBDLO O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000594766287 552376537 /nfs/dbraw/zinc/37/65/37/552376537.db2.gz HBLQLZHPVQOELE-NSHDSACASA-N 1 2 373.394 1.633 20 5 FDBDLO C[C@@H]1C[N@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000594816546 552396394 /nfs/dbraw/zinc/39/63/94/552396394.db2.gz IMISTRHNDXKPPA-QWHCGFSZSA-N 1 2 357.432 1.123 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000594816546 552396397 /nfs/dbraw/zinc/39/63/97/552396397.db2.gz IMISTRHNDXKPPA-QWHCGFSZSA-N 1 2 357.432 1.123 20 5 FDBDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000594966177 552427994 /nfs/dbraw/zinc/42/79/94/552427994.db2.gz OSBYQCGQOXHRSZ-CJNGLKHVSA-N 1 2 366.395 1.756 20 5 FDBDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000594967002 552428002 /nfs/dbraw/zinc/42/80/02/552428002.db2.gz UUSRHBOOEDMHJY-GDBMZVCRSA-N 1 2 366.395 1.756 20 5 FDBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594965346 552428065 /nfs/dbraw/zinc/42/80/65/552428065.db2.gz FIADUEGTTUFKPG-GOEBONIOSA-N 1 2 366.395 1.756 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000595124771 552458641 /nfs/dbraw/zinc/45/86/41/552458641.db2.gz FFFLSZHDACKJNB-QWHCGFSZSA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000595124771 552458642 /nfs/dbraw/zinc/45/86/42/552458642.db2.gz FFFLSZHDACKJNB-QWHCGFSZSA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000595124769 552458755 /nfs/dbraw/zinc/45/87/55/552458755.db2.gz FFFLSZHDACKJNB-CHWSQXEVSA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000595124769 552458757 /nfs/dbraw/zinc/45/87/57/552458757.db2.gz FFFLSZHDACKJNB-CHWSQXEVSA-N 1 2 364.402 1.067 20 5 FDBDLO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000595303827 552517423 /nfs/dbraw/zinc/51/74/23/552517423.db2.gz BUGOECZSBPFHLE-HNNXBMFYSA-N 1 2 351.378 1.947 20 5 FDBDLO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000595303827 552517427 /nfs/dbraw/zinc/51/74/27/552517427.db2.gz BUGOECZSBPFHLE-HNNXBMFYSA-N 1 2 351.378 1.947 20 5 FDBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000595525398 552578735 /nfs/dbraw/zinc/57/87/35/552578735.db2.gz FCWOGEUXXQUWQR-UHFFFAOYSA-N 1 2 371.397 1.813 20 5 FDBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000595549405 552582569 /nfs/dbraw/zinc/58/25/69/552582569.db2.gz IMQHGFPNULSDAS-UHFFFAOYSA-N 1 2 354.432 1.663 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000595759820 552612280 /nfs/dbraw/zinc/61/22/80/552612280.db2.gz OKYFRSCFFRAPPV-HOTGVXAUSA-N 1 2 350.350 1.365 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000595759820 552612282 /nfs/dbraw/zinc/61/22/82/552612282.db2.gz OKYFRSCFFRAPPV-HOTGVXAUSA-N 1 2 350.350 1.365 20 5 FDBDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595801765 552617283 /nfs/dbraw/zinc/61/72/83/552617283.db2.gz GESNSWWHVLLAFI-QGZVFWFLSA-N 1 2 368.386 1.636 20 5 FDBDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595801765 552617285 /nfs/dbraw/zinc/61/72/85/552617285.db2.gz GESNSWWHVLLAFI-QGZVFWFLSA-N 1 2 368.386 1.636 20 5 FDBDLO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1[nH]cc[nH+]1 ZINC000596131762 552658444 /nfs/dbraw/zinc/65/84/44/552658444.db2.gz CTQLWXUICTXJKZ-UHFFFAOYSA-N 1 2 353.404 1.643 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596180009 552662595 /nfs/dbraw/zinc/66/25/95/552662595.db2.gz OHJWYPJXOWAKOH-STQMWFEESA-N 1 2 366.418 1.512 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596180009 552662597 /nfs/dbraw/zinc/66/25/97/552662597.db2.gz OHJWYPJXOWAKOH-STQMWFEESA-N 1 2 366.418 1.512 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000596517111 552685623 /nfs/dbraw/zinc/68/56/23/552685623.db2.gz CSNILKCRYJUNJC-ZIAGYGMSSA-N 1 2 350.419 1.546 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000596517111 552685625 /nfs/dbraw/zinc/68/56/25/552685625.db2.gz CSNILKCRYJUNJC-ZIAGYGMSSA-N 1 2 350.419 1.546 20 5 FDBDLO C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596539785 552687107 /nfs/dbraw/zinc/68/71/07/552687107.db2.gz BSNIJYHKYWIEHR-JTQLQIEISA-N 1 2 353.404 1.752 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596890563 552722073 /nfs/dbraw/zinc/72/20/73/552722073.db2.gz MQMCDQRHPHMQAV-AWEZNQCLSA-N 1 2 364.402 1.932 20 5 FDBDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094726 552745887 /nfs/dbraw/zinc/74/58/87/552745887.db2.gz IUGAULPQLZPGSW-SNVBAGLBSA-N 1 2 356.814 1.198 20 5 FDBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094726 552745888 /nfs/dbraw/zinc/74/58/88/552745888.db2.gz IUGAULPQLZPGSW-SNVBAGLBSA-N 1 2 356.814 1.198 20 5 FDBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597265215 552766913 /nfs/dbraw/zinc/76/69/13/552766913.db2.gz QSQRCESRDQSMOH-NWDGAFQWSA-N 1 2 356.386 1.531 20 5 FDBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597265215 552766915 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CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610425845 554504349 /nfs/dbraw/zinc/50/43/49/554504349.db2.gz HBYIKNAMBGDXSB-CQSZACIVSA-N 1 2 374.401 1.512 20 5 FDBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000611170056 554611499 /nfs/dbraw/zinc/61/14/99/554611499.db2.gz XQDFPODHJPEYRF-AWEZNQCLSA-N 1 2 353.444 1.542 20 5 FDBDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204916 554615111 /nfs/dbraw/zinc/61/51/11/554615111.db2.gz HVFIPDZADWECAL-NSHDSACASA-N 1 2 352.391 1.341 20 5 FDBDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204916 554615112 /nfs/dbraw/zinc/61/51/12/554615112.db2.gz HVFIPDZADWECAL-NSHDSACASA-N 1 2 352.391 1.341 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NCc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611560910 554646477 /nfs/dbraw/zinc/64/64/77/554646477.db2.gz CFXSXXXQTYPGIB-HNNXBMFYSA-N 1 2 354.374 1.529 20 5 FDBDLO O=C1C[C@H]([N@@H+]2CCC[C@H](OC(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000611567836 554647492 /nfs/dbraw/zinc/64/74/92/554647492.db2.gz YPEIFBRIVUPJPI-STQMWFEESA-N 1 2 369.324 1.930 20 5 FDBDLO O=C1C[C@H]([N@H+]2CCC[C@H](OC(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000611567836 554647493 /nfs/dbraw/zinc/64/74/93/554647493.db2.gz YPEIFBRIVUPJPI-STQMWFEESA-N 1 2 369.324 1.930 20 5 FDBDLO COc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611890554 554697483 /nfs/dbraw/zinc/69/74/83/554697483.db2.gz MWPWDKQBLVHFFU-ZDUSSCGKSA-N 1 2 373.369 1.602 20 5 FDBDLO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000613475725 554929351 /nfs/dbraw/zinc/92/93/51/554929351.db2.gz ZLEUXKKLMSMDQR-LLVKDONJSA-N 1 2 363.461 1.354 20 5 FDBDLO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000613475725 554929353 /nfs/dbraw/zinc/92/93/53/554929353.db2.gz ZLEUXKKLMSMDQR-LLVKDONJSA-N 1 2 363.461 1.354 20 5 FDBDLO NC(=O)C[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615994512 555261878 /nfs/dbraw/zinc/26/18/78/555261878.db2.gz MBZCXJRJAYRHQP-AWEZNQCLSA-N 1 2 362.430 1.519 20 5 FDBDLO O=C(NCCCCn1cc[nH+]c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618366892 555625913 /nfs/dbraw/zinc/62/59/13/555625913.db2.gz YRMRGQGAXWNDSI-UHFFFAOYSA-N 1 2 357.374 1.947 20 5 FDBDLO O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1ccc([N+](=O)[O-])s1 ZINC000619872945 555847138 /nfs/dbraw/zinc/84/71/38/555847138.db2.gz QSWPOWJDJYEVFE-UHFFFAOYSA-N 1 2 351.388 1.955 20 5 FDBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C2 ZINC000735944227 598501687 /nfs/dbraw/zinc/50/16/87/598501687.db2.gz ZHXVKJMCARGTEF-UHFFFAOYSA-N 1 2 369.389 1.590 20 5 FDBDLO Cc1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)CC2)on1 ZINC000822199673 606644894 /nfs/dbraw/zinc/64/48/94/606644894.db2.gz CSPBNSGZNFYORD-UHFFFAOYSA-N 1 2 370.373 1.394 20 5 FDBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276571132 674735532 /nfs/dbraw/zinc/73/55/32/674735532.db2.gz KKBJAPYLDIQMNM-CYBMUJFWSA-N 1 2 371.821 1.322 20 5 FDBDLO CCS(=O)(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052111286 671158581 /nfs/dbraw/zinc/15/85/81/671158581.db2.gz UEPNWCHQWXLPKW-UHFFFAOYSA-N 1 2 357.432 1.331 20 5 FDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261605952 672634133 /nfs/dbraw/zinc/63/41/33/672634133.db2.gz BCGUSJNZSFJINF-AWEZNQCLSA-N 1 2 366.374 1.464 20 5 FDBDLO CCC[C@@]1(CO)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000288852265 676063003 /nfs/dbraw/zinc/06/30/03/676063003.db2.gz PFZHXNJZGJGZFH-MRXNPFEDSA-N 1 2 356.444 1.853 20 5 FDBDLO CCC[C@@]1(CO)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000288852265 676063004 /nfs/dbraw/zinc/06/30/04/676063004.db2.gz PFZHXNJZGJGZFH-MRXNPFEDSA-N 1 2 356.444 1.853 20 5 FDBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266257366 673094113 /nfs/dbraw/zinc/09/41/13/673094113.db2.gz YTVIZXZOXJBPMQ-LBPRGKRZSA-N 1 2 373.406 1.077 20 5 FDBDLO Cc1c(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000267587317 673314877 /nfs/dbraw/zinc/31/48/77/673314877.db2.gz MDUCICZKXCVZAH-CYBMUJFWSA-N 1 2 352.391 1.060 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000280888814 675467346 /nfs/dbraw/zinc/46/73/46/675467346.db2.gz CXHNIRFATJXYLD-CQSZACIVSA-N 1 2 351.403 1.509 20 5 FDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000366091659 677409687 /nfs/dbraw/zinc/40/96/87/677409687.db2.gz BHQCKTIFRCJLGP-LBPRGKRZSA-N 1 2 351.428 1.863 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411942500 679102859 /nfs/dbraw/zinc/10/28/59/679102859.db2.gz MJYIUCFCTJCJNP-GHMZBOCLSA-N 1 2 368.821 1.985 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411942500 679102861 /nfs/dbraw/zinc/10/28/61/679102861.db2.gz MJYIUCFCTJCJNP-GHMZBOCLSA-N 1 2 368.821 1.985 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000413872777 679305987 /nfs/dbraw/zinc/30/59/87/679305987.db2.gz WGCMPPBJVTWUQM-UHFFFAOYSA-N 1 2 351.403 1.322 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416451787 679627349 /nfs/dbraw/zinc/62/73/49/679627349.db2.gz ONHFIMYTPSKBJG-QWRGUYRKSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000416451787 679627352 /nfs/dbraw/zinc/62/73/52/679627352.db2.gz ONHFIMYTPSKBJG-QWRGUYRKSA-N 1 2 371.415 1.095 20 5 FDBDLO Cc1nn(C)cc1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420978511 680583434 /nfs/dbraw/zinc/58/34/34/680583434.db2.gz XJKQULJBKYIBPZ-UHFFFAOYSA-N 1 2 367.431 1.047 20 5 FDBDLO Cc1nn(C)cc1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420978511 680583435 /nfs/dbraw/zinc/58/34/35/680583435.db2.gz XJKQULJBKYIBPZ-UHFFFAOYSA-N 1 2 367.431 1.047 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000425555684 680909397 /nfs/dbraw/zinc/90/93/97/680909397.db2.gz YPUGYWPWMSVFDE-SECBINFHSA-N 1 2 350.766 1.794 20 5 FDBDLO O=C(C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000425555684 680909399 /nfs/dbraw/zinc/90/93/99/680909399.db2.gz YPUGYWPWMSVFDE-SECBINFHSA-N 1 2 350.766 1.794 20 5 FDBDLO COc1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000448919024 682647613 /nfs/dbraw/zinc/64/76/13/682647613.db2.gz XHTOOVRWZYQSMI-QWRGUYRKSA-N 1 2 355.366 1.582 20 5 FDBDLO COc1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])cc1F ZINC000449865341 682720188 /nfs/dbraw/zinc/72/01/88/682720188.db2.gz AUXBEMWUFCGYDT-NSHDSACASA-N 1 2 353.350 1.336 20 5 FDBDLO COc1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])cc1F ZINC000449865341 682720190 /nfs/dbraw/zinc/72/01/90/682720190.db2.gz AUXBEMWUFCGYDT-NSHDSACASA-N 1 2 353.350 1.336 20 5 FDBDLO CS[C@@H](CO)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450156321 682739500 /nfs/dbraw/zinc/73/95/00/682739500.db2.gz CBWNECVWHOHGSW-HZMBPMFUSA-N 1 2 350.400 1.623 20 5 FDBDLO CS[C@H](CO)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450156323 682739633 /nfs/dbraw/zinc/73/96/33/682739633.db2.gz CBWNECVWHOHGSW-IINYFYTJSA-N 1 2 350.400 1.623 20 5 FDBDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457104890 683717597 /nfs/dbraw/zinc/71/75/97/683717597.db2.gz TWHDVFZLWMEKFT-JTQLQIEISA-N 1 2 372.219 1.496 20 5 FDBDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457104890 683717602 /nfs/dbraw/zinc/71/76/02/683717602.db2.gz TWHDVFZLWMEKFT-JTQLQIEISA-N 1 2 372.219 1.496 20 5 FDBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1c([N+](=O)[O-])cnn1C ZINC000484122862 686569143 /nfs/dbraw/zinc/56/91/43/686569143.db2.gz KDSDBJCLBQGGQV-UHFFFAOYSA-N 1 2 350.285 1.903 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000484708381 686628003 /nfs/dbraw/zinc/62/80/03/686628003.db2.gz KFAZGBPOGZRXAA-DLBIXJAZSA-N 1 2 369.443 1.773 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000484708381 686628007 /nfs/dbraw/zinc/62/80/07/686628007.db2.gz KFAZGBPOGZRXAA-DLBIXJAZSA-N 1 2 369.443 1.773 20 5 FDBDLO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000489029585 687072687 /nfs/dbraw/zinc/07/26/87/687072687.db2.gz BDYPROPYYVYMRQ-AWEZNQCLSA-N 1 2 351.359 1.106 20 5 FDBDLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000489029585 687072691 /nfs/dbraw/zinc/07/26/91/687072691.db2.gz BDYPROPYYVYMRQ-AWEZNQCLSA-N 1 2 351.359 1.106 20 5 FDBDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490069019 687130134 /nfs/dbraw/zinc/13/01/34/687130134.db2.gz DINUDVQHEJKTAK-GFCCVEGCSA-N 1 2 357.794 1.924 20 5 FDBDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490069019 687130135 /nfs/dbraw/zinc/13/01/35/687130135.db2.gz DINUDVQHEJKTAK-GFCCVEGCSA-N 1 2 357.794 1.924 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000491832736 687156609 /nfs/dbraw/zinc/15/66/09/687156609.db2.gz SXQLPWLWPCLDSN-JTQLQIEISA-N 1 2 352.372 1.093 20 5 FDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492444239 687159426 /nfs/dbraw/zinc/15/94/26/687159426.db2.gz SEXSPNVANRKXFZ-CYBMUJFWSA-N 1 2 350.400 1.268 20 5 FDBDLO CNC(=O)CCOC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000509393150 689263449 /nfs/dbraw/zinc/26/34/49/689263449.db2.gz OGTBIJQTHACKSJ-UHFFFAOYSA-N 1 2 357.357 1.990 20 5 FDBDLO C[C@H]1[C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000513667687 689692839 /nfs/dbraw/zinc/69/28/39/689692839.db2.gz VOQBTHVIOGGWTG-CMPLNLGQSA-N 1 2 355.416 1.211 20 5 FDBDLO C[C@H]1[C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000513667687 689692843 /nfs/dbraw/zinc/69/28/43/689692843.db2.gz VOQBTHVIOGGWTG-CMPLNLGQSA-N 1 2 355.416 1.211 20 5 FDBDLO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000748129564 773222161 /nfs/dbraw/zinc/22/21/61/773222161.db2.gz RQVJCRPNUAYMKT-OAHLLOKOSA-N 1 2 360.370 1.236 20 5 FDBDLO O=C(OCCn1ccc([N+](=O)[O-])n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000748129564 773222168 /nfs/dbraw/zinc/22/21/68/773222168.db2.gz RQVJCRPNUAYMKT-OAHLLOKOSA-N 1 2 360.370 1.236 20 5 FDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261675075 774330318 /nfs/dbraw/zinc/33/03/18/774330318.db2.gz HDLGCGIEISBSFC-UHFFFAOYSA-N 1 2 370.413 1.238 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777771 791980281 /nfs/dbraw/zinc/98/02/81/791980281.db2.gz OGUZACHOTFKCNH-AMVBZWJASA-N 1 2 351.790 1.257 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(O)ccc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777771 791980284 /nfs/dbraw/zinc/98/02/84/791980284.db2.gz OGUZACHOTFKCNH-AMVBZWJASA-N 1 2 351.790 1.257 20 5 FDBDLO Cc1cnn([C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000290673886 793610610 /nfs/dbraw/zinc/61/06/10/793610610.db2.gz YYFRMIVCNHVCOL-HZPDHXFCSA-N 1 2 369.381 1.679 20 5 FDBDLO Cc1cnn([C@@H]2CC[N@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000290673886 793610616 /nfs/dbraw/zinc/61/06/16/793610616.db2.gz YYFRMIVCNHVCOL-HZPDHXFCSA-N 1 2 369.381 1.679 20 5 FDBDLO CCOC(=O)c1ccnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278912307 807159014 /nfs/dbraw/zinc/15/90/14/807159014.db2.gz SDHDGSXPAHRTKG-BETUJISGSA-N 1 2 366.418 1.712 20 5 FDBDLO CCOC(=O)c1ccnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278912307 807159017 /nfs/dbraw/zinc/15/90/17/807159017.db2.gz SDHDGSXPAHRTKG-BETUJISGSA-N 1 2 366.418 1.712 20 5 FDBDLO COc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1OC ZINC000279292089 808730954 /nfs/dbraw/zinc/73/09/54/808730954.db2.gz LPIHEFCNNNZOOH-LBPRGKRZSA-N 1 2 367.402 1.405 20 5 FDBDLO Cn1c2ccccc2c(N2CCC[C@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1=O ZINC000893894030 809800796 /nfs/dbraw/zinc/80/07/96/809800796.db2.gz FSCFNHBMDCHGLW-AWEZNQCLSA-N 1 2 372.425 1.748 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000502885041 814315842 /nfs/dbraw/zinc/31/58/42/814315842.db2.gz NPUWQWRWALUTKJ-SFHVURJKSA-N 1 2 372.381 1.532 20 5 FDBDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1(F)F ZINC000894964365 819406721 /nfs/dbraw/zinc/40/67/21/819406721.db2.gz YFHMAQBCVIFXLH-PWSUYJOCSA-N 1 2 356.329 1.166 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2nonc2c1 ZINC001029304907 820440537 /nfs/dbraw/zinc/44/05/37/820440537.db2.gz NMHBBLBESCZFSV-OQMKEHIESA-N 1 2 357.370 1.063 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2nonc2c1 ZINC001029304907 820440540 /nfs/dbraw/zinc/44/05/40/820440540.db2.gz NMHBBLBESCZFSV-OQMKEHIESA-N 1 2 357.370 1.063 20 5 FDBDLO O=C(NCCCNc1cccc[nH+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000522921977 826452661 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C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000332268598 259254006 /nfs/dbraw/zinc/25/40/06/259254006.db2.gz UUSHRTKZSCELSF-AAEUAGOBSA-N 1 2 357.313 1.351 20 5 FDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000332268598 259254007 /nfs/dbraw/zinc/25/40/07/259254007.db2.gz UUSHRTKZSCELSF-AAEUAGOBSA-N 1 2 357.313 1.351 20 5 FDBDLO CSc1cccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000332538238 259274797 /nfs/dbraw/zinc/27/47/97/259274797.db2.gz ZIJCXXXVJDFXDB-QWHCGFSZSA-N 1 2 351.428 1.862 20 5 FDBDLO CSc1cccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000332538238 259274798 /nfs/dbraw/zinc/27/47/98/259274798.db2.gz ZIJCXXXVJDFXDB-QWHCGFSZSA-N 1 2 351.428 1.862 20 5 FDBDLO CCC[N@@H+]1CCCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000367316463 260024890 /nfs/dbraw/zinc/02/48/90/260024890.db2.gz XVPOTCUAIHNSHR-UHFFFAOYSA-N 1 2 369.443 1.556 20 5 FDBDLO CCC[N@H+]1CCCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000367316463 260024891 /nfs/dbraw/zinc/02/48/91/260024891.db2.gz XVPOTCUAIHNSHR-UHFFFAOYSA-N 1 2 369.443 1.556 20 5 FDBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCOC[C@H]1C1CC1 ZINC000367351908 260028932 /nfs/dbraw/zinc/02/89/32/260028932.db2.gz SFUDANOOKHPERG-SFHVURJKSA-N 1 2 374.441 1.354 20 5 FDBDLO COc1ccc(OCC[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000367534419 260056132 /nfs/dbraw/zinc/05/61/32/260056132.db2.gz VKYUCINAZVOYCL-XHDPSFHLSA-N 1 2 356.400 1.101 20 5 FDBDLO COc1ccc(OCC[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000367534419 260056134 /nfs/dbraw/zinc/05/61/34/260056134.db2.gz VKYUCINAZVOYCL-XHDPSFHLSA-N 1 2 356.400 1.101 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368100651 260135420 /nfs/dbraw/zinc/13/54/20/260135420.db2.gz QPIYEKQOARWZGG-KOLCDFICSA-N 1 2 352.778 1.255 20 5 FDBDLO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368100651 260135422 /nfs/dbraw/zinc/13/54/22/260135422.db2.gz QPIYEKQOARWZGG-KOLCDFICSA-N 1 2 352.778 1.255 20 5 FDBDLO CN(CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1ccccc1[N+](=O)[O-] ZINC000368526555 260196584 /nfs/dbraw/zinc/19/65/84/260196584.db2.gz IQXIBWQIJZWMEI-HNNXBMFYSA-N 1 2 355.398 1.599 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368886877 260254939 /nfs/dbraw/zinc/25/49/39/260254939.db2.gz FAXZMERMNILQMD-NSHDSACASA-N 1 2 350.766 1.725 20 5 FDBDLO O=C(C[N@H+]1CC[C@H](n2cncn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368886877 260254940 /nfs/dbraw/zinc/25/49/40/260254940.db2.gz FAXZMERMNILQMD-NSHDSACASA-N 1 2 350.766 1.725 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000368994726 260273898 /nfs/dbraw/zinc/27/38/98/260273898.db2.gz CITTUFGJQUHQFN-UONOGXRCSA-N 1 2 369.443 1.374 20 5 FDBDLO Cc1c(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000369323901 260341208 /nfs/dbraw/zinc/34/12/08/260341208.db2.gz PIFOIXQLGRWCHV-UHFFFAOYSA-N 1 2 374.441 1.849 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369338510 260343624 /nfs/dbraw/zinc/34/36/24/260343624.db2.gz QATQQOYPYAAPBL-UHFFFAOYSA-N 1 2 374.441 1.849 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000371899389 260786509 /nfs/dbraw/zinc/78/65/09/260786509.db2.gz NUUOOQFSBKQCIW-UHFFFAOYSA-N 1 2 359.367 1.654 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374343098 261114413 /nfs/dbraw/zinc/11/44/13/261114413.db2.gz WRVLHNXPNAABCL-LBPRGKRZSA-N 1 2 357.370 1.591 20 5 FDBDLO C[N@@H+]1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C(=O)C1 ZINC000374802700 261200019 /nfs/dbraw/zinc/20/00/19/261200019.db2.gz WZWBETSGRDELIE-UHFFFAOYSA-N 1 2 354.357 1.616 20 5 FDBDLO C[N@H+]1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C(=O)C1 ZINC000374802700 261200020 /nfs/dbraw/zinc/20/00/20/261200020.db2.gz WZWBETSGRDELIE-UHFFFAOYSA-N 1 2 354.357 1.616 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375197226 261286136 /nfs/dbraw/zinc/28/61/36/261286136.db2.gz KVILUBOLEDXGOS-LLVKDONJSA-N 1 2 352.372 1.852 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000377462202 261802293 /nfs/dbraw/zinc/80/22/93/261802293.db2.gz XHIYQMRAOCRRQF-INIZCTEOSA-N 1 2 372.360 1.960 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378410055 262020399 /nfs/dbraw/zinc/02/03/99/262020399.db2.gz OJUNFTIUCXSUJZ-SMDDNHRTSA-N 1 2 357.370 1.800 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000378424783 262022390 /nfs/dbraw/zinc/02/23/90/262022390.db2.gz DYDXABURBZPZDS-ZDUSSCGKSA-N 1 2 374.401 1.688 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000378424783 262022391 /nfs/dbraw/zinc/02/23/91/262022391.db2.gz DYDXABURBZPZDS-ZDUSSCGKSA-N 1 2 374.401 1.688 20 5 FDBDLO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2cscn2)CC1 ZINC000378583536 262049758 /nfs/dbraw/zinc/04/97/58/262049758.db2.gz QQAUTSPDZHFWIT-UHFFFAOYSA-N 1 2 362.415 1.654 20 5 FDBDLO COc1cc(CCNc2[nH+]cnc3c2cnn3C)c([N+](=O)[O-])cc1OC ZINC000014275316 518687028 /nfs/dbraw/zinc/68/70/28/518687028.db2.gz JPMGXUYJHCFTFI-UHFFFAOYSA-N 1 2 358.358 1.943 20 5 FDBDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000016482952 518758679 /nfs/dbraw/zinc/75/86/79/518758679.db2.gz XWNGNGGKAQKIKK-GFCCVEGCSA-N 1 2 365.386 1.817 20 5 FDBDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000016482952 518758683 /nfs/dbraw/zinc/75/86/83/518758683.db2.gz XWNGNGGKAQKIKK-GFCCVEGCSA-N 1 2 365.386 1.817 20 5 FDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000024894301 519021976 /nfs/dbraw/zinc/02/19/76/519021976.db2.gz LPWDLEODGSDTQD-JTQLQIEISA-N 1 2 364.431 1.093 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)NCc1ccccc1 ZINC000026481937 519124289 /nfs/dbraw/zinc/12/42/89/519124289.db2.gz JYCWGZMERFAIHG-UHFFFAOYSA-N 1 2 355.398 1.428 20 5 FDBDLO COc1cccc([C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)c2[nH+]ccn2C)c1 ZINC000028508488 519240640 /nfs/dbraw/zinc/24/06/40/519240640.db2.gz NGAOEQXVFKDFGM-INIZCTEOSA-N 1 2 370.369 1.439 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000029823350 519323018 /nfs/dbraw/zinc/32/30/18/519323018.db2.gz SBKIMILUNAXSIX-UHFFFAOYSA-N 1 2 367.413 1.836 20 5 FDBDLO CCOC(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000032487522 519508510 /nfs/dbraw/zinc/50/85/10/519508510.db2.gz AOGYCCJGYSOJTN-UHFFFAOYSA-N 1 2 373.369 1.695 20 5 FDBDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000033236890 519581342 /nfs/dbraw/zinc/58/13/42/519581342.db2.gz HBNWBOLTKDDQFU-UHFFFAOYSA-N 1 2 356.382 1.956 20 5 FDBDLO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCc1cccnc1 ZINC000072665152 522350872 /nfs/dbraw/zinc/35/08/72/522350872.db2.gz PJMZIHCYLXJHPJ-AWEZNQCLSA-N 1 2 356.386 1.187 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCc1cccnc1 ZINC000072665152 522350880 /nfs/dbraw/zinc/35/08/80/522350880.db2.gz PJMZIHCYLXJHPJ-AWEZNQCLSA-N 1 2 356.386 1.187 20 5 FDBDLO CC(C)OC(=O)C[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000072830481 522396543 /nfs/dbraw/zinc/39/65/43/522396543.db2.gz HYPQONDPTFEYSY-CQSZACIVSA-N 1 2 360.370 1.991 20 5 FDBDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745166 522595048 /nfs/dbraw/zinc/59/50/48/522595048.db2.gz QFQRBTMKVOJVEE-YOEHRIQHSA-N 1 2 362.430 1.401 20 5 FDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000063770578 522647847 /nfs/dbraw/zinc/64/78/47/522647847.db2.gz WDIZMZVJOWVSNY-UHFFFAOYSA-N 1 2 373.413 1.360 20 5 FDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000063770578 522647857 /nfs/dbraw/zinc/64/78/57/522647857.db2.gz WDIZMZVJOWVSNY-UHFFFAOYSA-N 1 2 373.413 1.360 20 5 FDBDLO CN(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c[nH+]1 ZINC000066611938 523135083 /nfs/dbraw/zinc/13/50/83/523135083.db2.gz RINRVHJNRAMKHD-UHFFFAOYSA-N 1 2 358.354 1.757 20 5 FDBDLO COC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000066835042 523215286 /nfs/dbraw/zinc/21/52/86/523215286.db2.gz HWUYGKVFLCLWSB-NSHDSACASA-N 1 2 351.359 1.427 20 5 FDBDLO COC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000066835042 523215294 /nfs/dbraw/zinc/21/52/94/523215294.db2.gz HWUYGKVFLCLWSB-NSHDSACASA-N 1 2 351.359 1.427 20 5 FDBDLO COc1ccc(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000067904827 523630562 /nfs/dbraw/zinc/63/05/62/523630562.db2.gz CZVZDYDYLFKSDV-UHFFFAOYSA-N 1 2 370.409 1.885 20 5 FDBDLO NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000054445542 523640032 /nfs/dbraw/zinc/64/00/32/523640032.db2.gz QTOJBBLEMOEEPS-GOSISDBHSA-N 1 2 354.410 1.939 20 5 FDBDLO Cc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000055290788 523790164 /nfs/dbraw/zinc/79/01/64/523790164.db2.gz BQUNLORBVLYZED-KBPBESRZSA-N 1 2 371.459 1.681 20 5 FDBDLO C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055811073 523861432 /nfs/dbraw/zinc/86/14/32/523861432.db2.gz BAZNAYAUADEAIO-LBPRGKRZSA-N 1 2 357.370 1.521 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)n1 ZINC000120997006 524121969 /nfs/dbraw/zinc/12/19/69/524121969.db2.gz DVXQTASCXQTXPZ-HNNXBMFYSA-N 1 2 361.446 1.821 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000121071699 524142339 /nfs/dbraw/zinc/14/23/39/524142339.db2.gz UNXQDKRFWYOCNL-UONOGXRCSA-N 1 2 354.794 1.202 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000121071699 524142347 /nfs/dbraw/zinc/14/23/47/524142347.db2.gz UNXQDKRFWYOCNL-UONOGXRCSA-N 1 2 354.794 1.202 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000172262966 524185637 /nfs/dbraw/zinc/18/56/37/524185637.db2.gz FUAATTFNMUQAEW-CYBMUJFWSA-N 1 2 357.432 1.244 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000172262966 524185642 /nfs/dbraw/zinc/18/56/42/524185642.db2.gz FUAATTFNMUQAEW-CYBMUJFWSA-N 1 2 357.432 1.244 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111291946 524252716 /nfs/dbraw/zinc/25/27/16/524252716.db2.gz GXTUCGSEQAIYFH-OAHLLOKOSA-N 1 2 360.414 1.929 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111291946 524252719 /nfs/dbraw/zinc/25/27/19/524252719.db2.gz GXTUCGSEQAIYFH-OAHLLOKOSA-N 1 2 360.414 1.929 20 5 FDBDLO Cn1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157552575 524295390 /nfs/dbraw/zinc/29/53/90/524295390.db2.gz IISBVEWYYSYCQX-HNNXBMFYSA-N 1 2 364.427 1.614 20 5 FDBDLO Cn1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157552575 524295398 /nfs/dbraw/zinc/29/53/98/524295398.db2.gz IISBVEWYYSYCQX-HNNXBMFYSA-N 1 2 364.427 1.614 20 5 FDBDLO CCOCC[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000122461033 524542141 /nfs/dbraw/zinc/54/21/41/524542141.db2.gz OMYABHSJVYUPAD-ZDUSSCGKSA-N 1 2 371.459 1.545 20 5 FDBDLO CCOCC[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000122461033 524542148 /nfs/dbraw/zinc/54/21/48/524542148.db2.gz OMYABHSJVYUPAD-ZDUSSCGKSA-N 1 2 371.459 1.545 20 5 FDBDLO CC(C)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000151502085 524594501 /nfs/dbraw/zinc/59/45/01/524594501.db2.gz MUQOFCBIQGRNOC-INIZCTEOSA-N 1 2 371.459 1.371 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000113253603 524649226 /nfs/dbraw/zinc/64/92/26/524649226.db2.gz BVAYDSMWGQHPJB-UHFFFAOYSA-N 1 2 372.429 1.393 20 5 FDBDLO Cn1cc(N2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cn1 ZINC000174943676 524807330 /nfs/dbraw/zinc/80/73/30/524807330.db2.gz XHXJVRLIRFEHAH-UHFFFAOYSA-N 1 2 359.386 1.517 20 5 FDBDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000114854664 524890856 /nfs/dbraw/zinc/89/08/56/524890856.db2.gz FGUUCFCCMWFGAP-KRWDZBQOSA-N 1 2 371.397 1.374 20 5 FDBDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000114854664 524890865 /nfs/dbraw/zinc/89/08/65/524890865.db2.gz FGUUCFCCMWFGAP-KRWDZBQOSA-N 1 2 371.397 1.374 20 5 FDBDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)cc1 ZINC000160685151 524948561 /nfs/dbraw/zinc/94/85/61/524948561.db2.gz MIXJEKWKCUBRRC-UHFFFAOYSA-N 1 2 373.413 1.685 20 5 FDBDLO NC(=O)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000175745971 525000579 /nfs/dbraw/zinc/00/05/79/525000579.db2.gz PMTGHXORUPFVAF-UHFFFAOYSA-N 1 2 355.310 1.402 20 5 FDBDLO C[C@H]([C@H](C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000152785600 525006199 /nfs/dbraw/zinc/00/61/99/525006199.db2.gz CYFULVHPWDPGTI-UONOGXRCSA-N 1 2 373.413 1.620 20 5 FDBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000153012717 525077756 /nfs/dbraw/zinc/07/77/56/525077756.db2.gz GQFMWKVFLNXXSP-CYBMUJFWSA-N 1 2 357.414 1.509 20 5 FDBDLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153232629 525151989 /nfs/dbraw/zinc/15/19/89/525151989.db2.gz OGGWFEAFLQCXST-GFCCVEGCSA-N 1 2 360.414 1.065 20 5 FDBDLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153232629 525151997 /nfs/dbraw/zinc/15/19/97/525151997.db2.gz OGGWFEAFLQCXST-GFCCVEGCSA-N 1 2 360.414 1.065 20 5 FDBDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153244805 525155657 /nfs/dbraw/zinc/15/56/57/525155657.db2.gz VTPOWKSEBVYSSK-MRXNPFEDSA-N 1 2 374.441 1.686 20 5 FDBDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153244805 525155663 /nfs/dbraw/zinc/15/56/63/525155663.db2.gz VTPOWKSEBVYSSK-MRXNPFEDSA-N 1 2 374.441 1.686 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)c[nH+]2)C[C@H](C)O1 ZINC000162139527 525219661 /nfs/dbraw/zinc/21/96/61/525219661.db2.gz OXZXYVGKIJTECH-TXEJJXNPSA-N 1 2 374.401 1.267 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000125755068 525233413 /nfs/dbraw/zinc/23/34/13/525233413.db2.gz WOTMUUOPMBRLKJ-RISCZKNCSA-N 1 2 357.432 1.155 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000125755068 525233423 /nfs/dbraw/zinc/23/34/23/525233423.db2.gz WOTMUUOPMBRLKJ-RISCZKNCSA-N 1 2 357.432 1.155 20 5 FDBDLO O=[N+]([O-])c1cc(Br)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000153849668 525344675 /nfs/dbraw/zinc/34/46/75/525344675.db2.gz SISTYGITZMYNHB-NSHDSACASA-N 1 2 361.192 1.429 20 5 FDBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000103462576 525356872 /nfs/dbraw/zinc/35/68/72/525356872.db2.gz QSCISJXGOVZKLD-OAHLLOKOSA-N 1 2 364.446 1.566 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1F ZINC000154284862 525482568 /nfs/dbraw/zinc/48/25/68/525482568.db2.gz GAQFFCLLSCAVKD-UHFFFAOYSA-N 1 2 357.407 1.759 20 5 FDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000127999805 525490932 /nfs/dbraw/zinc/49/09/32/525490932.db2.gz PPYGYZOMXQLKLP-AWEZNQCLSA-N 1 2 370.413 1.980 20 5 FDBDLO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154801332 525642922 /nfs/dbraw/zinc/64/29/22/525642922.db2.gz GTDCKFDDCVBKPB-BLLLJJGKSA-N 1 2 373.413 1.690 20 5 FDBDLO C[C@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154801332 525642929 /nfs/dbraw/zinc/64/29/29/525642929.db2.gz GTDCKFDDCVBKPB-BLLLJJGKSA-N 1 2 373.413 1.690 20 5 FDBDLO CN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180830117 525761797 /nfs/dbraw/zinc/76/17/97/525761797.db2.gz QRXFPGAULKOHQK-GFCCVEGCSA-N 1 2 358.276 1.776 20 5 FDBDLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000130850316 525803646 /nfs/dbraw/zinc/80/36/46/525803646.db2.gz WELOFOIXVYNWHF-HNNXBMFYSA-N 1 2 370.409 1.662 20 5 FDBDLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000119748431 525847077 /nfs/dbraw/zinc/84/70/77/525847077.db2.gz WUNBLVVPBMDJBP-UHFFFAOYSA-N 1 2 363.337 1.982 20 5 FDBDLO Cc1nc(C[NH+]2CCC(CNC(=O)c3[nH]ncc3[N+](=O)[O-])CC2)oc1C ZINC000155618900 525923029 /nfs/dbraw/zinc/92/30/29/525923029.db2.gz JRLLSIVLURLMMO-UHFFFAOYSA-N 1 2 362.390 1.565 20 5 FDBDLO Cc1nc(C[NH+]2CCC(CNC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)oc1C ZINC000155618900 525923034 /nfs/dbraw/zinc/92/30/34/525923034.db2.gz JRLLSIVLURLMMO-UHFFFAOYSA-N 1 2 362.390 1.565 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000171423054 525986715 /nfs/dbraw/zinc/98/67/15/525986715.db2.gz WWTYXRIGWKGUCM-MRXNPFEDSA-N 1 2 371.397 1.521 20 5 FDBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000108952256 526049522 /nfs/dbraw/zinc/04/95/22/526049522.db2.gz IFSKIHJLHWGWRZ-UHFFFAOYSA-N 1 2 358.402 1.010 20 5 FDBDLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182156912 526075426 /nfs/dbraw/zinc/07/54/26/526075426.db2.gz JLGGPMLLSNXLOX-SNVBAGLBSA-N 1 2 362.839 1.253 20 5 FDBDLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182156912 526075431 /nfs/dbraw/zinc/07/54/31/526075431.db2.gz JLGGPMLLSNXLOX-SNVBAGLBSA-N 1 2 362.839 1.253 20 5 FDBDLO COC(=O)C1([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000133713135 526085637 /nfs/dbraw/zinc/08/56/37/526085637.db2.gz LTEHMCBRSJXRMH-UHFFFAOYSA-N 1 2 363.370 1.968 20 5 FDBDLO C[C@@H](NC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000171717413 526091416 /nfs/dbraw/zinc/09/14/16/526091416.db2.gz DBHQPQLBQNHBEQ-KGLIPLIRSA-N 1 2 350.419 1.845 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000182270015 526118213 /nfs/dbraw/zinc/11/82/13/526118213.db2.gz BJNLZHJKCVUPPW-KRWDZBQOSA-N 1 2 372.425 1.547 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000182299483 526128169 /nfs/dbraw/zinc/12/81/69/526128169.db2.gz ZOZRGJCXYCOHAZ-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000182299483 526128174 /nfs/dbraw/zinc/12/81/74/526128174.db2.gz ZOZRGJCXYCOHAZ-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO COc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000134152540 526129180 /nfs/dbraw/zinc/12/91/80/526129180.db2.gz SWFLHGDXFUREFO-HNNXBMFYSA-N 1 2 351.403 1.690 20 5 FDBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000182406028 526163074 /nfs/dbraw/zinc/16/30/74/526163074.db2.gz QDVQCQLXEOBACJ-AWEZNQCLSA-N 1 2 371.459 1.289 20 5 FDBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000171938674 526186982 /nfs/dbraw/zinc/18/69/82/526186982.db2.gz CWPWRIKHMNVNOP-UHFFFAOYSA-N 1 2 355.366 1.041 20 5 FDBDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182840923 535873465 /nfs/dbraw/zinc/87/34/65/535873465.db2.gz AWHQQILWIHRWNY-UHFFFAOYSA-N 1 2 365.777 1.932 20 5 FDBDLO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184853214 536187694 /nfs/dbraw/zinc/18/76/94/536187694.db2.gz DWUDNTXPDUBOGK-BETUJISGSA-N 1 2 351.403 1.920 20 5 FDBDLO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000184853214 536187695 /nfs/dbraw/zinc/18/76/95/536187695.db2.gz DWUDNTXPDUBOGK-BETUJISGSA-N 1 2 351.403 1.920 20 5 FDBDLO Cc1nc(N2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000184963026 536194161 /nfs/dbraw/zinc/19/41/61/536194161.db2.gz JQQXHYSXZMUFPS-UHFFFAOYSA-N 1 2 370.413 1.768 20 5 FDBDLO COc1cccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000185145518 536200128 /nfs/dbraw/zinc/20/01/28/536200128.db2.gz BPXCTQKNHKUHIH-QGZVFWFLSA-N 1 2 370.409 1.952 20 5 FDBDLO COc1cccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1[N+](=O)[O-] ZINC000185148105 536200425 /nfs/dbraw/zinc/20/04/25/536200425.db2.gz 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CNc1nc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000570775689 549404948 /nfs/dbraw/zinc/40/49/48/549404948.db2.gz HXYYYVLIHXJVQR-JSGCOSHPSA-N 1 2 363.418 1.405 20 5 FDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000573789522 550211049 /nfs/dbraw/zinc/21/10/49/550211049.db2.gz AQYUJNLPLAJZCS-LLVKDONJSA-N 1 2 358.402 1.260 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C2 ZINC000574061241 550254032 /nfs/dbraw/zinc/25/40/32/550254032.db2.gz HIFXQKHSLQGUKX-CQSZACIVSA-N 1 2 358.398 1.688 20 5 FDBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCOCC3)[nH+]cn1)CCO2 ZINC000575102864 550425971 /nfs/dbraw/zinc/42/59/71/550425971.db2.gz UVWCHASULCEJSY-UHFFFAOYSA-N 1 2 357.370 1.620 20 5 FDBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCOCC3)nc[nH+]1)CCO2 ZINC000575102864 550425972 /nfs/dbraw/zinc/42/59/72/550425972.db2.gz UVWCHASULCEJSY-UHFFFAOYSA-N 1 2 357.370 1.620 20 5 FDBDLO Cc1c[nH]c(C(C)(C)NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000582008156 551162793 /nfs/dbraw/zinc/16/27/93/551162793.db2.gz BHQRXJYJJFEGJF-UHFFFAOYSA-N 1 2 359.386 1.798 20 5 FDBDLO CCn1cc[nH+]c1CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000583391585 551344899 /nfs/dbraw/zinc/34/48/99/551344899.db2.gz ZLSRJDBOAFDGPA-UHFFFAOYSA-N 1 2 352.372 1.145 20 5 FDBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000583429313 551349939 /nfs/dbraw/zinc/34/99/39/551349939.db2.gz XEADNRKRCZUHRN-SNVBAGLBSA-N 1 2 351.384 1.799 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)c1 ZINC000583461737 551355524 /nfs/dbraw/zinc/35/55/24/551355524.db2.gz AKLSDZXFISOAKK-GFCCVEGCSA-N 1 2 374.397 1.388 20 5 FDBDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccncc1 ZINC000589162481 551714499 /nfs/dbraw/zinc/71/44/99/551714499.db2.gz VBYZUUXRHUGYME-SFHVURJKSA-N 1 2 372.381 1.657 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000589512808 551734112 /nfs/dbraw/zinc/73/41/12/551734112.db2.gz BRCJVPNQXVPCNJ-UHFFFAOYSA-N 1 2 365.430 1.924 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000589512808 551734114 /nfs/dbraw/zinc/73/41/14/551734114.db2.gz BRCJVPNQXVPCNJ-UHFFFAOYSA-N 1 2 365.430 1.924 20 5 FDBDLO CCc1nn(C)cc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590380584 551777428 /nfs/dbraw/zinc/77/74/28/551777428.db2.gz FEPFVVORSPQYTA-UHFFFAOYSA-N 1 2 357.414 1.849 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000590568189 551793481 /nfs/dbraw/zinc/79/34/81/551793481.db2.gz ZBCDYDIVMZVIRF-SNVBAGLBSA-N 1 2 353.404 1.601 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000590568189 551793483 /nfs/dbraw/zinc/79/34/83/551793483.db2.gz ZBCDYDIVMZVIRF-SNVBAGLBSA-N 1 2 353.404 1.601 20 5 FDBDLO NC(=O)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000590622282 551799739 /nfs/dbraw/zinc/79/97/39/551799739.db2.gz LLAPJZAHVGBKNG-UHFFFAOYSA-N 1 2 357.370 1.651 20 5 FDBDLO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000590695527 551806185 /nfs/dbraw/zinc/80/61/85/551806185.db2.gz QZLAONCJEYYJRN-UHFFFAOYSA-N 1 2 373.413 1.514 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000591162953 551848480 /nfs/dbraw/zinc/84/84/80/551848480.db2.gz OZHWSGYCKVPXDP-UHFFFAOYSA-N 1 2 370.369 1.152 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000591162953 551848481 /nfs/dbraw/zinc/84/84/81/551848481.db2.gz OZHWSGYCKVPXDP-UHFFFAOYSA-N 1 2 370.369 1.152 20 5 FDBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000591782386 551908255 /nfs/dbraw/zinc/90/82/55/551908255.db2.gz KUXPRUOBSIVZAL-QPUJVOFHSA-N 1 2 358.276 1.822 20 5 FDBDLO Cn1cnc(CCCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000591967837 551921457 /nfs/dbraw/zinc/92/14/57/551921457.db2.gz SANFQFRQSNXUBR-UHFFFAOYSA-N 1 2 360.418 1.600 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000593029973 552054291 /nfs/dbraw/zinc/05/42/91/552054291.db2.gz YGCUNDFHPNGXCW-NSHDSACASA-N 1 2 361.358 1.585 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000593029973 552054293 /nfs/dbraw/zinc/05/42/93/552054293.db2.gz YGCUNDFHPNGXCW-NSHDSACASA-N 1 2 361.358 1.585 20 5 FDBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCn3c(Cc4cccc(F)c4)nnc3C2)c1 ZINC000593040949 552055161 /nfs/dbraw/zinc/05/51/61/552055161.db2.gz JTMDPNCTSIQHDM-UHFFFAOYSA-N 1 2 371.376 1.629 20 5 FDBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCn3c(Cc4cccc(F)c4)nnc3C2)c1 ZINC000593040949 552055162 /nfs/dbraw/zinc/05/51/62/552055162.db2.gz JTMDPNCTSIQHDM-UHFFFAOYSA-N 1 2 371.376 1.629 20 5 FDBDLO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593116809 552064208 /nfs/dbraw/zinc/06/42/08/552064208.db2.gz IPZXRKBJWPPMRQ-FVQBIDKESA-N 1 2 352.387 1.213 20 5 FDBDLO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@H]2O1 ZINC000593116809 552064210 /nfs/dbraw/zinc/06/42/10/552064210.db2.gz IPZXRKBJWPPMRQ-FVQBIDKESA-N 1 2 352.387 1.213 20 5 FDBDLO CCN1C[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1=O ZINC000593498710 552117855 /nfs/dbraw/zinc/11/78/55/552117855.db2.gz OSNPCOMHMNJBJV-HNNXBMFYSA-N 1 2 362.430 1.707 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593658797 552165937 /nfs/dbraw/zinc/16/59/37/552165937.db2.gz RZWIAJSIZNMGRE-UHFFFAOYSA-N 1 2 371.459 1.635 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593658797 552165939 /nfs/dbraw/zinc/16/59/39/552165939.db2.gz RZWIAJSIZNMGRE-UHFFFAOYSA-N 1 2 371.459 1.635 20 5 FDBDLO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H](O)C(F)(F)F ZINC000594018060 552239288 /nfs/dbraw/zinc/23/92/88/552239288.db2.gz QBQHFDVQKCFVDF-CYBMUJFWSA-N 1 2 352.309 1.975 20 5 FDBDLO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H](O)C(F)(F)F ZINC000594018060 552239292 /nfs/dbraw/zinc/23/92/92/552239292.db2.gz QBQHFDVQKCFVDF-CYBMUJFWSA-N 1 2 352.309 1.975 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594097702 552248191 /nfs/dbraw/zinc/24/81/91/552248191.db2.gz ATOCCIFEMNAAIA-RWMBFGLXSA-N 1 2 351.403 1.831 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594097702 552248192 /nfs/dbraw/zinc/24/81/92/552248192.db2.gz ATOCCIFEMNAAIA-RWMBFGLXSA-N 1 2 351.403 1.831 20 5 FDBDLO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472130 552318433 /nfs/dbraw/zinc/31/84/33/552318433.db2.gz XBSAFGLBDBDRDM-UPJWGTAASA-N 1 2 357.432 1.371 20 5 FDBDLO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472130 552318435 /nfs/dbraw/zinc/31/84/35/552318435.db2.gz XBSAFGLBDBDRDM-UPJWGTAASA-N 1 2 357.432 1.371 20 5 FDBDLO COc1ccnc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000594732409 552366803 /nfs/dbraw/zinc/36/68/03/552366803.db2.gz KFWDBHPKZPUIRF-UHFFFAOYSA-N 1 2 369.374 1.701 20 5 FDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000594744921 552368647 /nfs/dbraw/zinc/36/86/47/552368647.db2.gz DOXPUGHNFNSEOZ-UHFFFAOYSA-N 1 2 351.388 1.044 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccsc1 ZINC000594745800 552369198 /nfs/dbraw/zinc/36/91/98/552369198.db2.gz JZEGJQQKLLXVOY-LBPRGKRZSA-N 1 2 356.429 1.633 20 5 FDBDLO O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594804424 552391494 /nfs/dbraw/zinc/39/14/94/552391494.db2.gz ZFRMUPXUWQFOEX-UHFFFAOYSA-N 1 2 363.399 1.464 20 5 FDBDLO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594965348 552427786 /nfs/dbraw/zinc/42/77/86/552427786.db2.gz FIADUEGTTUFKPG-ZBFHGGJFSA-N 1 2 366.395 1.756 20 5 FDBDLO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594965412 552428057 /nfs/dbraw/zinc/42/80/57/552428057.db2.gz HIUKAIQPKOEHLC-JQWIXIFHSA-N 1 2 366.342 1.098 20 5 FDBDLO Cc1noc(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000595289123 552512816 /nfs/dbraw/zinc/51/28/16/552512816.db2.gz MIUFRXLGBNDIRV-CYBMUJFWSA-N 1 2 365.434 1.410 20 5 FDBDLO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@]1(C)CO ZINC000595869967 552626289 /nfs/dbraw/zinc/62/62/89/552626289.db2.gz FDANOEOJTSXPNF-MGPLVRAMSA-N 1 2 351.359 1.212 20 5 FDBDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@]1(C)CO ZINC000595869967 552626290 /nfs/dbraw/zinc/62/62/90/552626290.db2.gz FDANOEOJTSXPNF-MGPLVRAMSA-N 1 2 351.359 1.212 20 5 FDBDLO CN(C(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595903360 552631168 /nfs/dbraw/zinc/63/11/68/552631168.db2.gz PKWMVJCBUIKWLX-UHFFFAOYSA-N 1 2 368.393 1.715 20 5 FDBDLO CN(C(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595903360 552631169 /nfs/dbraw/zinc/63/11/69/552631169.db2.gz PKWMVJCBUIKWLX-UHFFFAOYSA-N 1 2 368.393 1.715 20 5 FDBDLO NS(=O)(=O)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000596214446 552665622 /nfs/dbraw/zinc/66/56/22/552665622.db2.gz 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C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000578527350 550773269 /nfs/dbraw/zinc/77/32/69/550773269.db2.gz XTLBQMPMLQUGCC-SNVBAGLBSA-N 1 2 370.793 1.024 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000578527350 550773271 /nfs/dbraw/zinc/77/32/71/550773271.db2.gz XTLBQMPMLQUGCC-SNVBAGLBSA-N 1 2 370.793 1.024 20 5 FDBDLO COC(=O)COc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000579778038 550908990 /nfs/dbraw/zinc/90/89/90/550908990.db2.gz XSGASOFJUWNKKY-GXTWGEPZSA-N 1 2 368.386 1.118 20 5 FDBDLO COC(=O)COc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000579778038 550908992 /nfs/dbraw/zinc/90/89/92/550908992.db2.gz XSGASOFJUWNKKY-GXTWGEPZSA-N 1 2 368.386 1.118 20 5 FDBDLO COC(=O)[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000579925988 550923988 /nfs/dbraw/zinc/92/39/88/550923988.db2.gz GERYMMNJYVYGBW-QGZVFWFLSA-N 1 2 365.386 1.863 20 5 FDBDLO CNc1c(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)cccc1[N+](=O)[O-] ZINC000579966605 550929487 /nfs/dbraw/zinc/92/94/87/550929487.db2.gz NFENCVCVCGEECI-LBPRGKRZSA-N 1 2 373.413 1.421 20 5 FDBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581554796 551104090 /nfs/dbraw/zinc/10/40/90/551104090.db2.gz YIFAGMBTKCXBFE-ZDUSSCGKSA-N 1 2 371.397 1.487 20 5 FDBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000582893301 551277994 /nfs/dbraw/zinc/27/79/94/551277994.db2.gz KBLMMSCFKXYHEX-OAHLLOKOSA-N 1 2 363.414 1.548 20 5 FDBDLO COC(=O)c1cn(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)nn1 ZINC000583055747 551296915 /nfs/dbraw/zinc/29/69/15/551296915.db2.gz QXDJKLRFRYULEM-UHFFFAOYSA-N 1 2 361.358 1.516 20 5 FDBDLO NS(=O)(=O)c1ccc(NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000589103264 551709824 /nfs/dbraw/zinc/70/98/24/551709824.db2.gz MGRZWLBHCNMDCD-UHFFFAOYSA-N 1 2 361.383 1.545 20 5 FDBDLO NS(=O)(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000589108831 551710075 /nfs/dbraw/zinc/71/00/75/551710075.db2.gz KOPGIFZMEVTYAE-UHFFFAOYSA-N 1 2 351.388 1.280 20 5 FDBDLO NC(=O)c1ccnc(NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000589560909 551735861 /nfs/dbraw/zinc/73/58/61/551735861.db2.gz VMKQAKSBWCLKGQ-UHFFFAOYSA-N 1 2 352.354 1.946 20 5 FDBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590763332 551814406 /nfs/dbraw/zinc/81/44/06/551814406.db2.gz HFCJEJNCRPUFLX-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000590763332 551814408 /nfs/dbraw/zinc/81/44/08/551814408.db2.gz HFCJEJNCRPUFLX-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3c(F)cccc3F)CC2)c1 ZINC000592132885 551947497 /nfs/dbraw/zinc/94/74/97/551947497.db2.gz PDPNKUOKILRSIP-ZDUSSCGKSA-N 1 2 367.356 1.253 20 5 FDBDLO O=C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593116563 552064343 /nfs/dbraw/zinc/06/43/43/552064343.db2.gz MKHQFEJXIBPYCJ-AWEZNQCLSA-N 1 2 355.297 1.993 20 5 FDBDLO O=C(C[N@H+]1CC[C@]2(CC2(F)F)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593116563 552064344 /nfs/dbraw/zinc/06/43/44/552064344.db2.gz MKHQFEJXIBPYCJ-AWEZNQCLSA-N 1 2 355.297 1.993 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000593529656 552123913 /nfs/dbraw/zinc/12/39/13/552123913.db2.gz QEVZKLYBQWFKRN-UHFFFAOYSA-N 1 2 363.399 1.464 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000593529363 552124125 /nfs/dbraw/zinc/12/41/25/552124125.db2.gz OMYGWHHWBPQATK-LBPRGKRZSA-N 1 2 356.429 1.633 20 5 FDBDLO O=C(NCC[C@@]1(O)CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593879620 552215549 /nfs/dbraw/zinc/21/55/49/552215549.db2.gz IHVWYRKDXFHCQF-KRWDZBQOSA-N 1 2 360.370 1.442 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000593885803 552217429 /nfs/dbraw/zinc/21/74/29/552217429.db2.gz ARPUECGDJDUNEO-UHFFFAOYSA-N 1 2 355.366 1.155 20 5 FDBDLO COc1c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594099543 552248781 /nfs/dbraw/zinc/24/87/81/552248781.db2.gz RQDHMXXFQBMMHD-UPJWGTAASA-N 1 2 351.403 1.831 20 5 FDBDLO COc1c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594099543 552248784 /nfs/dbraw/zinc/24/87/84/552248784.db2.gz RQDHMXXFQBMMHD-UPJWGTAASA-N 1 2 351.403 1.831 20 5 FDBDLO COc1cc(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1OC ZINC000594215097 552265630 /nfs/dbraw/zinc/26/56/30/552265630.db2.gz PXBIAAKIWHYGOS-NSHDSACASA-N 1 2 362.386 1.873 20 5 FDBDLO COc1cc(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1OC ZINC000594215097 552265631 /nfs/dbraw/zinc/26/56/31/552265631.db2.gz PXBIAAKIWHYGOS-NSHDSACASA-N 1 2 362.386 1.873 20 5 FDBDLO C[N@@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000594742916 552368342 /nfs/dbraw/zinc/36/83/42/552368342.db2.gz CEZSZQVSGGOAOB-OAHLLOKOSA-N 1 2 362.411 1.667 20 5 FDBDLO C[N@H+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000594742916 552368344 /nfs/dbraw/zinc/36/83/44/552368344.db2.gz CEZSZQVSGGOAOB-OAHLLOKOSA-N 1 2 362.411 1.667 20 5 FDBDLO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594760565 552373970 /nfs/dbraw/zinc/37/39/70/552373970.db2.gz QYTARRNLVGRILN-STQMWFEESA-N 1 2 372.447 1.158 20 5 FDBDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768580 552377588 /nfs/dbraw/zinc/37/75/88/552377588.db2.gz WPQWNMBEZQABDZ-NWDGAFQWSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768580 552377591 /nfs/dbraw/zinc/37/75/91/552377591.db2.gz WPQWNMBEZQABDZ-NWDGAFQWSA-N 1 2 364.427 1.856 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000595125667 552459204 /nfs/dbraw/zinc/45/92/04/552459204.db2.gz JNKLALIZYPRSIJ-STQMWFEESA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000595125667 552459206 /nfs/dbraw/zinc/45/92/06/552459206.db2.gz JNKLALIZYPRSIJ-STQMWFEESA-N 1 2 364.402 1.067 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)nn1 ZINC000595434796 552559183 /nfs/dbraw/zinc/55/91/83/552559183.db2.gz FPDMGJZYNIAMLH-JTQLQIEISA-N 1 2 350.335 1.106 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)nn1 ZINC000595434796 552559185 /nfs/dbraw/zinc/55/91/85/552559185.db2.gz FPDMGJZYNIAMLH-JTQLQIEISA-N 1 2 350.335 1.106 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000595660299 552598893 /nfs/dbraw/zinc/59/88/93/552598893.db2.gz DRDYXQHNCMLMDH-YVEFUNNKSA-N 1 2 367.402 1.404 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000595660299 552598896 /nfs/dbraw/zinc/59/88/96/552598896.db2.gz DRDYXQHNCMLMDH-YVEFUNNKSA-N 1 2 367.402 1.404 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595743883 552609805 /nfs/dbraw/zinc/60/98/05/552609805.db2.gz RZUOVZHVZSFGKD-WCQYABFASA-N 1 2 362.386 1.142 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595743883 552609807 /nfs/dbraw/zinc/60/98/07/552609807.db2.gz RZUOVZHVZSFGKD-WCQYABFASA-N 1 2 362.386 1.142 20 5 FDBDLO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000595947717 552636947 /nfs/dbraw/zinc/63/69/47/552636947.db2.gz NBMYVHVRCVQAOS-UHFFFAOYSA-N 1 2 364.402 1.021 20 5 FDBDLO O=[N+]([O-])c1cncc(I)c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091606 552654331 /nfs/dbraw/zinc/65/43/31/552654331.db2.gz OONRFDZYMVAYHT-MRVPVSSYSA-N 1 2 374.182 1.665 20 5 FDBDLO O=[N+]([O-])c1cncc(I)c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596091606 552654332 /nfs/dbraw/zinc/65/43/32/552654332.db2.gz OONRFDZYMVAYHT-MRVPVSSYSA-N 1 2 374.182 1.665 20 5 FDBDLO COC(=O)c1cc(C)nc(N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596247515 552668091 /nfs/dbraw/zinc/66/80/91/552668091.db2.gz PTUSFTOBXSAWIE-ZDUSSCGKSA-N 1 2 364.402 1.386 20 5 FDBDLO CO[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000596319305 552674186 /nfs/dbraw/zinc/67/41/86/552674186.db2.gz WMMQSTWJXUKHDQ-YJBOKZPZSA-N 1 2 365.430 1.890 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](O)C(F)(F)C1 ZINC000596432355 552678793 /nfs/dbraw/zinc/67/87/93/552678793.db2.gz ODQPJIVBQQNVJT-OAHLLOKOSA-N 1 2 357.357 1.633 20 5 FDBDLO Cc1nc(NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596552141 552688344 /nfs/dbraw/zinc/68/83/44/552688344.db2.gz REIVTLPIBIPDLF-KRWDZBQOSA-N 1 2 355.442 2.526 20 5 FDBDLO Cc1nc(NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596552141 552688346 /nfs/dbraw/zinc/68/83/46/552688346.db2.gz REIVTLPIBIPDLF-KRWDZBQOSA-N 1 2 355.442 2.526 20 5 FDBDLO COc1cc(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c([N+](=O)[O-])cc1OC ZINC000596688107 552701617 /nfs/dbraw/zinc/70/16/17/552701617.db2.gz HKHDRPOHJQLNAI-CHWSQXEVSA-N 1 2 374.397 1.808 20 5 FDBDLO COc1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000597995181 552854251 /nfs/dbraw/zinc/85/42/51/552854251.db2.gz 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COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264304120 179072891 /nfs/dbraw/zinc/07/28/91/179072891.db2.gz OOPKFVIGJPTZEA-STQMWFEESA-N 1 2 366.418 1.512 20 5 FDBDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)CC1 ZINC000264452660 179111205 /nfs/dbraw/zinc/11/12/05/179111205.db2.gz QAAIKYXDNGLHAD-OAHLLOKOSA-N 1 2 371.441 1.928 20 5 FDBDLO COc1cc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000268420099 180077168 /nfs/dbraw/zinc/07/71/68/180077168.db2.gz KVAQOGUJQYATDX-UHFFFAOYSA-N 1 2 366.399 1.861 20 5 FDBDLO CC(C)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+]1CCOCC1 ZINC000269121543 180221289 /nfs/dbraw/zinc/22/12/89/180221289.db2.gz FGWDENWPJJYLEZ-CQSZACIVSA-N 1 2 372.447 1.011 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269486926 180313816 /nfs/dbraw/zinc/31/38/16/180313816.db2.gz XCPXPKMIAILEHM-UHFFFAOYSA-N 1 2 352.439 1.151 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269486926 180313818 /nfs/dbraw/zinc/31/38/18/180313818.db2.gz XCPXPKMIAILEHM-UHFFFAOYSA-N 1 2 352.439 1.151 20 5 FDBDLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000274155639 181034869 /nfs/dbraw/zinc/03/48/69/181034869.db2.gz DMIHFKHMSKGMII-ZDUSSCGKSA-N 1 2 357.432 1.298 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000274255458 181056920 /nfs/dbraw/zinc/05/69/20/181056920.db2.gz IXKDUJYDSNAZMM-CQSZACIVSA-N 1 2 366.418 1.368 20 5 FDBDLO O=C(C[NH2+][C@@H](CCO)c1ccco1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000274384822 181082441 /nfs/dbraw/zinc/08/24/41/181082441.db2.gz FWIXFNLSZNMZCB-JTQLQIEISA-N 1 2 363.326 1.568 20 5 FDBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274950041 181203403 /nfs/dbraw/zinc/20/34/03/181203403.db2.gz IDNBQAHKQFHWSM-UHFFFAOYSA-N 1 2 359.342 1.488 20 5 FDBDLO CN(Cc1[nH+]ccn1C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000533702106 540279759 /nfs/dbraw/zinc/27/97/59/540279759.db2.gz QTEFGOPBAWWZQD-UHFFFAOYSA-N 1 2 355.354 1.914 20 5 FDBDLO COC(=O)c1cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1 ZINC000533724487 540281717 /nfs/dbraw/zinc/28/17/17/540281717.db2.gz WOLSUOIUURMHDZ-NSHDSACASA-N 1 2 358.354 1.745 20 5 FDBDLO COCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000534728586 540406522 /nfs/dbraw/zinc/40/65/22/540406522.db2.gz IZSRHVOREZYNGB-CYBMUJFWSA-N 1 2 351.403 1.704 20 5 FDBDLO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535008917 540438268 /nfs/dbraw/zinc/43/82/68/540438268.db2.gz RDQWXMCXNSGXQL-WFASDCNBSA-N 1 2 359.386 1.337 20 5 FDBDLO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535008917 540438270 /nfs/dbraw/zinc/43/82/70/540438270.db2.gz RDQWXMCXNSGXQL-WFASDCNBSA-N 1 2 359.386 1.337 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCCO)CC2)c([N+](=O)[O-])c1 ZINC000535244839 540461539 /nfs/dbraw/zinc/46/15/39/540461539.db2.gz BXLLLHLWNYMXLM-LBPRGKRZSA-N 1 2 367.402 1.404 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000536508765 540605133 /nfs/dbraw/zinc/60/51/33/540605133.db2.gz HVNSMOZMNNALIS-UHFFFAOYSA-N 1 2 368.397 1.768 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000537293822 540713637 /nfs/dbraw/zinc/71/36/37/540713637.db2.gz IDMKFLCSXFXWBX-OAHLLOKOSA-N 1 2 365.430 1.899 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000537293822 540713643 /nfs/dbraw/zinc/71/36/43/540713643.db2.gz IDMKFLCSXFXWBX-OAHLLOKOSA-N 1 2 365.430 1.899 20 5 FDBDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000539301651 540944277 /nfs/dbraw/zinc/94/42/77/540944277.db2.gz NERHFRHEKOUTRP-SNVBAGLBSA-N 1 2 353.404 1.087 20 5 FDBDLO COc1ccc(COC[C@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000541621987 541236672 /nfs/dbraw/zinc/23/66/72/541236672.db2.gz PZHLLZZGGMDHMX-QGZVFWFLSA-N 1 2 373.409 1.934 20 5 FDBDLO COc1ccc(COC[C@H](O)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000541621987 541236675 /nfs/dbraw/zinc/23/66/75/541236675.db2.gz PZHLLZZGGMDHMX-QGZVFWFLSA-N 1 2 373.409 1.934 20 5 FDBDLO CN(C)c1ccc(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])c[nH+]1 ZINC000541841543 541278737 /nfs/dbraw/zinc/27/87/37/541278737.db2.gz ZILNFHLMYGXYHK-UHFFFAOYSA-N 1 2 351.388 1.315 20 5 FDBDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000542043190 541324200 /nfs/dbraw/zinc/32/42/00/541324200.db2.gz KZSXSHJVLLNASU-UHFFFAOYSA-N 1 2 365.386 1.457 20 5 FDBDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000542043190 541324203 /nfs/dbraw/zinc/32/42/03/541324203.db2.gz KZSXSHJVLLNASU-UHFFFAOYSA-N 1 2 365.386 1.457 20 5 FDBDLO Cc1cc(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1[N+](=O)[O-] ZINC000544012673 541701328 /nfs/dbraw/zinc/70/13/28/541701328.db2.gz IGCHPWUIALFCEN-AWEZNQCLSA-N 1 2 371.397 1.558 20 5 FDBDLO O=[N+]([O-])c1cccc2ncnc(Nc3cnn(CC[NH+]4CCOCC4)c3)c21 ZINC000544397630 541764592 /nfs/dbraw/zinc/76/45/92/541764592.db2.gz GYYFSYQPKOGKHZ-UHFFFAOYSA-N 1 2 369.385 1.810 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282565726 182025671 /nfs/dbraw/zinc/02/56/71/182025671.db2.gz YMGHRLWOLOZEPN-CQSZACIVSA-N 1 2 350.419 1.499 20 5 FDBDLO O=C(NCCCn1cc[nH+]c1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000283606444 182228294 /nfs/dbraw/zinc/22/82/94/182228294.db2.gz PSDQXIGHRJQSDY-UHFFFAOYSA-N 1 2 371.397 1.489 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000283870691 182299214 /nfs/dbraw/zinc/29/92/14/182299214.db2.gz DMHCIIKVMGGDHK-LBPRGKRZSA-N 1 2 373.369 1.040 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000283870691 182299217 /nfs/dbraw/zinc/29/92/17/182299217.db2.gz DMHCIIKVMGGDHK-LBPRGKRZSA-N 1 2 373.369 1.040 20 5 FDBDLO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]12 ZINC000546196858 542121907 /nfs/dbraw/zinc/12/19/07/542121907.db2.gz YYVNRLSOSDFZGY-CQSZACIVSA-N 1 2 356.338 1.591 20 5 FDBDLO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]12 ZINC000546196858 542121909 /nfs/dbraw/zinc/12/19/09/542121909.db2.gz YYVNRLSOSDFZGY-CQSZACIVSA-N 1 2 356.338 1.591 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286200555 183013056 /nfs/dbraw/zinc/01/30/56/183013056.db2.gz XXFYJTQPLPYPMK-CZUORRHYSA-N 1 2 373.413 1.940 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286220970 183017270 /nfs/dbraw/zinc/01/72/70/183017270.db2.gz YSZCHDHDQQZNFB-XJKSGUPXSA-N 1 2 373.413 1.940 20 5 FDBDLO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCSCC1 ZINC000295000571 184026359 /nfs/dbraw/zinc/02/63/59/184026359.db2.gz VSWUTUPWZBWUCZ-UHFFFAOYSA-N 1 2 351.428 1.723 20 5 FDBDLO CCn1cc[nH+]c1CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000295431529 184070344 /nfs/dbraw/zinc/07/03/44/184070344.db2.gz JIKLOVKLUZSTAK-UHFFFAOYSA-N 1 2 358.351 1.437 20 5 FDBDLO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000120392061 258261331 /nfs/dbraw/zinc/26/13/31/258261331.db2.gz FKOCEOGEKHDRBE-WMHVBEDNSA-N 1 2 365.455 1.413 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000170862703 258265934 /nfs/dbraw/zinc/26/59/34/258265934.db2.gz RLJUPZLZEDZSBY-UHFFFAOYSA-N 1 2 351.403 1.591 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000170862703 258265935 /nfs/dbraw/zinc/26/59/35/258265935.db2.gz RLJUPZLZEDZSBY-UHFFFAOYSA-N 1 2 351.403 1.591 20 5 FDBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000171755221 258269245 /nfs/dbraw/zinc/26/92/45/258269245.db2.gz YLYMSQSGLJBXST-UHFFFAOYSA-N 1 2 374.401 1.016 20 5 FDBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000171755221 258269246 /nfs/dbraw/zinc/26/92/46/258269246.db2.gz YLYMSQSGLJBXST-UHFFFAOYSA-N 1 2 374.401 1.016 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000171969250 258271116 /nfs/dbraw/zinc/27/11/16/258271116.db2.gz VYTKMJIBTZLUFU-LBPRGKRZSA-N 1 2 351.407 1.065 20 5 FDBDLO CCc1[nH]nc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000171969250 258271117 /nfs/dbraw/zinc/27/11/17/258271117.db2.gz VYTKMJIBTZLUFU-LBPRGKRZSA-N 1 2 351.407 1.065 20 5 FDBDLO C[C@@H](F)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000549244132 542857019 /nfs/dbraw/zinc/85/70/19/542857019.db2.gz CWTWIEOYMUIAJF-GFCCVEGCSA-N 1 2 374.438 1.691 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000551487260 543292121 /nfs/dbraw/zinc/29/21/21/543292121.db2.gz OIOAIVKHMQOLPL-CQSZACIVSA-N 1 2 365.430 1.024 20 5 FDBDLO C[C@@H]1CN(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000552048615 543411209 /nfs/dbraw/zinc/41/12/09/543411209.db2.gz YGBYVNXJGKGRIQ-PBHICJAKSA-N 1 2 359.430 1.728 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000072767184 172049261 /nfs/dbraw/zinc/04/92/61/172049261.db2.gz GQBKHRAVVXKGRC-MRXNPFEDSA-N 1 2 362.430 1.638 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000082985247 172199937 /nfs/dbraw/zinc/19/99/37/172199937.db2.gz WAABQRUVVJQJHG-LLVKDONJSA-N 1 2 357.794 1.013 20 5 FDBDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090516401 172265699 /nfs/dbraw/zinc/26/56/99/172265699.db2.gz QRPWCCHVCQECQS-UHFFFAOYSA-N 1 2 358.398 1.944 20 5 FDBDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090516401 172265700 /nfs/dbraw/zinc/26/57/00/172265700.db2.gz QRPWCCHVCQECQS-UHFFFAOYSA-N 1 2 358.398 1.944 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104729631 172384075 /nfs/dbraw/zinc/38/40/75/172384075.db2.gz JJGCKWVMQMGGBS-UHFFFAOYSA-N 1 2 360.414 1.929 20 5 FDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000125498310 173008944 /nfs/dbraw/zinc/00/89/44/173008944.db2.gz DQLMMTZYQQTGMO-SNVBAGLBSA-N 1 2 363.823 1.166 20 5 FDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000125498310 173008946 /nfs/dbraw/zinc/00/89/46/173008946.db2.gz DQLMMTZYQQTGMO-SNVBAGLBSA-N 1 2 363.823 1.166 20 5 FDBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000127213695 173068095 /nfs/dbraw/zinc/06/80/95/173068095.db2.gz OIMKGYVUFSNMCC-ZDUSSCGKSA-N 1 2 364.358 1.404 20 5 FDBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000127213695 173068096 /nfs/dbraw/zinc/06/80/96/173068096.db2.gz OIMKGYVUFSNMCC-ZDUSSCGKSA-N 1 2 364.358 1.404 20 5 FDBDLO O=C(C[NH+]1CCC(O)(C(F)(F)F)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128350381 173107336 /nfs/dbraw/zinc/10/73/36/173107336.db2.gz SVHVNANRQHNGRI-UHFFFAOYSA-N 1 2 373.331 1.873 20 5 FDBDLO Cc1ccc(NCCCNC(=O)[C@H](C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000129197321 173131277 /nfs/dbraw/zinc/13/12/77/173131277.db2.gz KDDIBRJZDZOGNH-HNNXBMFYSA-N 1 2 363.462 1.457 20 5 FDBDLO CC(C)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000130158270 173162418 /nfs/dbraw/zinc/16/24/18/173162418.db2.gz AGKLEAZDIKQJTC-MRXNPFEDSA-N 1 2 371.459 1.371 20 5 FDBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000134350121 173324121 /nfs/dbraw/zinc/32/41/21/173324121.db2.gz CRPMSKIPWVGZJX-LBPRGKRZSA-N 1 2 368.415 1.638 20 5 FDBDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000134350121 173324123 /nfs/dbraw/zinc/32/41/23/173324123.db2.gz CRPMSKIPWVGZJX-LBPRGKRZSA-N 1 2 368.415 1.638 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000151156184 173392694 /nfs/dbraw/zinc/39/26/94/173392694.db2.gz NJJRUTOKGRVKLP-LLVKDONJSA-N 1 2 355.397 1.893 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000180303891 258366358 /nfs/dbraw/zinc/36/63/58/258366358.db2.gz XSFUEGWALFEDIK-HNNXBMFYSA-N 1 2 371.459 1.234 20 5 FDBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178631662 258330806 /nfs/dbraw/zinc/33/08/06/258330806.db2.gz QOTWJXNKOMHKIF-CQSZACIVSA-N 1 2 373.438 1.448 20 5 FDBDLO COCCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189653024 258386785 /nfs/dbraw/zinc/38/67/85/258386785.db2.gz NWXFPZIQJJWDAF-GFCCVEGCSA-N 1 2 357.794 1.924 20 5 FDBDLO COCCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000189653024 258386786 /nfs/dbraw/zinc/38/67/86/258386786.db2.gz NWXFPZIQJJWDAF-GFCCVEGCSA-N 1 2 357.794 1.924 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000276548605 258464849 /nfs/dbraw/zinc/46/48/49/258464849.db2.gz FQYREIUATRBXFS-HNNXBMFYSA-N 1 2 368.397 1.939 20 5 FDBDLO CCN(CC)c1ccc(CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])c[nH+]1 ZINC000553326572 543609787 /nfs/dbraw/zinc/60/97/87/543609787.db2.gz LNSRFKXLRHGSPW-UHFFFAOYSA-N 1 2 358.402 2.203 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NCc1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000556868565 544216719 /nfs/dbraw/zinc/21/67/19/544216719.db2.gz ZMEJTNBGTAOBDK-MRXNPFEDSA-N 1 2 366.381 1.701 20 5 FDBDLO Cc1cc(N2CCN(C(=O)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301825088 259034294 /nfs/dbraw/zinc/03/42/94/259034294.db2.gz DMUJGZQUAIJBBW-UHFFFAOYSA-N 1 2 357.370 1.001 20 5 FDBDLO CC(C)Cn1cc[nH+]c1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302022287 259037779 /nfs/dbraw/zinc/03/77/79/259037779.db2.gz IRBMIMCBFHZOSR-UHFFFAOYSA-N 1 2 353.404 1.707 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000330984939 259171969 /nfs/dbraw/zinc/17/19/69/259171969.db2.gz YHJFCCNITCCFTC-QWRGUYRKSA-N 1 2 371.415 1.095 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000330984939 259171970 /nfs/dbraw/zinc/17/19/70/259171970.db2.gz YHJFCCNITCCFTC-QWRGUYRKSA-N 1 2 371.415 1.095 20 5 FDBDLO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000332706528 259289409 /nfs/dbraw/zinc/28/94/09/259289409.db2.gz XHCYOYXXPPNWHR-ZDUSSCGKSA-N 1 2 350.375 1.542 20 5 FDBDLO NC(=O)C1([NH+]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000363039442 259520626 /nfs/dbraw/zinc/52/06/26/259520626.db2.gz WAINCVSIWODBMV-UHFFFAOYSA-N 1 2 374.441 1.470 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000363309107 259572218 /nfs/dbraw/zinc/57/22/18/259572218.db2.gz NRLWNGBYTPXFJL-SNVBAGLBSA-N 1 2 350.404 1.636 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000363309107 259572219 /nfs/dbraw/zinc/57/22/19/259572219.db2.gz NRLWNGBYTPXFJL-SNVBAGLBSA-N 1 2 350.404 1.636 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCOC[C@@H]1C1CC1 ZINC000367239675 260014824 /nfs/dbraw/zinc/01/48/24/260014824.db2.gz DVDJNLZSHMCYPC-GOSISDBHSA-N 1 2 374.441 1.354 20 5 FDBDLO Cc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)c1[N+](=O)[O-] ZINC000368554479 260200506 /nfs/dbraw/zinc/20/05/06/260200506.db2.gz LLNQSJMQWXJOSS-GOSISDBHSA-N 1 2 363.414 1.514 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000369501859 260379348 /nfs/dbraw/zinc/37/93/48/260379348.db2.gz UXKRUNAVTMZYOV-DOMZBBRYSA-N 1 2 365.386 1.576 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000369501859 260379349 /nfs/dbraw/zinc/37/93/49/260379349.db2.gz UXKRUNAVTMZYOV-DOMZBBRYSA-N 1 2 365.386 1.576 20 5 FDBDLO COc1ccc(OCC[NH+]2CCN(c3nccnc3C)CC2)c([N+](=O)[O-])c1 ZINC000370543073 260565314 /nfs/dbraw/zinc/56/53/14/260565314.db2.gz WUVNHNWERNBATA-UHFFFAOYSA-N 1 2 373.413 1.903 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374199132 261092685 /nfs/dbraw/zinc/09/26/85/261092685.db2.gz XEHWNCWYVDPSFW-UHFFFAOYSA-N 1 2 373.369 1.671 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374199132 261092686 /nfs/dbraw/zinc/09/26/86/261092686.db2.gz XEHWNCWYVDPSFW-UHFFFAOYSA-N 1 2 373.369 1.671 20 5 FDBDLO C[N@@H+]1CCN(C2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C(=O)C1 ZINC000374853799 261211857 /nfs/dbraw/zinc/21/18/57/261211857.db2.gz LIGBABZLDQOEFZ-UHFFFAOYSA-N 1 2 369.425 1.886 20 5 FDBDLO C[N@H+]1CCN(C2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C(=O)C1 ZINC000374853799 261211858 /nfs/dbraw/zinc/21/18/58/261211858.db2.gz LIGBABZLDQOEFZ-UHFFFAOYSA-N 1 2 369.425 1.886 20 5 FDBDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000375042524 261255058 /nfs/dbraw/zinc/25/50/58/261255058.db2.gz SCKSPQGSFXCZTJ-GFCCVEGCSA-N 1 2 371.397 1.442 20 5 FDBDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000375042524 261255059 /nfs/dbraw/zinc/25/50/59/261255059.db2.gz SCKSPQGSFXCZTJ-GFCCVEGCSA-N 1 2 371.397 1.442 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000378603641 262052606 /nfs/dbraw/zinc/05/26/06/262052606.db2.gz DRUNDOQDOLGLPA-GJZGRUSLSA-N 1 2 369.443 1.123 20 5 FDBDLO CCOc1ccc(NC(=O)CSCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000270581987 674233134 /nfs/dbraw/zinc/23/31/34/674233134.db2.gz SHOQNTNABJDGLP-UHFFFAOYSA-N 1 2 369.443 1.997 20 5 FDBDLO Cc1cc(NCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600366296 492264901 /nfs/dbraw/zinc/26/49/01/492264901.db2.gz NMUGHRUZAGZXDU-UHFFFAOYSA-N 1 2 359.390 1.058 20 5 FDBDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000011113094 518551452 /nfs/dbraw/zinc/55/14/52/518551452.db2.gz RQUKXSBJJHVMOY-UHFFFAOYSA-N 1 2 359.386 1.648 20 5 FDBDLO Cc1c(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cccc1[N+](=O)[O-] ZINC000011990153 518582356 /nfs/dbraw/zinc/58/23/56/518582356.db2.gz SNGNQMPJYJQTKJ-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO Cc1c(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cccc1[N+](=O)[O-] ZINC000011990153 518582365 /nfs/dbraw/zinc/58/23/65/518582365.db2.gz SNGNQMPJYJQTKJ-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO O=c1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccn12 ZINC000015443056 518722428 /nfs/dbraw/zinc/72/24/28/518722428.db2.gz BBFMCKSUYQKLRD-UHFFFAOYSA-N 1 2 365.393 1.925 20 5 FDBDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000026957877 519151226 /nfs/dbraw/zinc/15/12/26/519151226.db2.gz CQPUURLGSOEIAI-ZDUSSCGKSA-N 1 2 357.432 1.230 20 5 FDBDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000026957877 519151228 /nfs/dbraw/zinc/15/12/28/519151228.db2.gz CQPUURLGSOEIAI-ZDUSSCGKSA-N 1 2 357.432 1.230 20 5 FDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cn2ccccc2[nH+]1 ZINC000028834241 519251623 /nfs/dbraw/zinc/25/16/23/519251623.db2.gz WJLNFRDHGKGGOC-UHFFFAOYSA-N 1 2 353.338 1.289 20 5 FDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029094009 519267826 /nfs/dbraw/zinc/26/78/26/519267826.db2.gz NIEFNHMDZHIKHD-QGZVFWFLSA-N 1 2 358.398 1.737 20 5 FDBDLO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000031932584 519470784 /nfs/dbraw/zinc/47/07/84/519470784.db2.gz VBBHQLRTDKJJAA-UHFFFAOYSA-N 1 2 364.402 1.021 20 5 FDBDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+]1CCOCC1 ZINC000041873443 519670596 /nfs/dbraw/zinc/67/05/96/519670596.db2.gz FWISAYYVDYOTOJ-CQSZACIVSA-N 1 2 372.447 1.011 20 5 FDBDLO C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000069441773 521879444 /nfs/dbraw/zinc/87/94/44/521879444.db2.gz LOARLMMQTMPSNJ-KGLIPLIRSA-N 1 2 366.418 1.382 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000046591298 522322700 /nfs/dbraw/zinc/32/27/00/522322700.db2.gz VCNFFFSVQGZRGT-GFCCVEGCSA-N 1 2 371.397 1.491 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000047151020 522460071 /nfs/dbraw/zinc/46/00/71/522460071.db2.gz VOFVKQVSTDPLTI-AWEZNQCLSA-N 1 2 362.430 1.646 20 5 FDBDLO NC(=O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000047274420 522485431 /nfs/dbraw/zinc/48/54/31/522485431.db2.gz NNEPMLDDDFXJOA-UHFFFAOYSA-N 1 2 354.794 1.917 20 5 FDBDLO NC(=O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000047274420 522485439 /nfs/dbraw/zinc/48/54/39/522485439.db2.gz NNEPMLDDDFXJOA-UHFFFAOYSA-N 1 2 354.794 1.917 20 5 FDBDLO Cc1noc(C)c1C[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000065682280 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CC[C@H](C(N)=O)[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000171074906 525824717 /nfs/dbraw/zinc/82/47/17/525824717.db2.gz IIIMYIBDQFHVSB-LLVKDONJSA-N 1 2 360.336 2.000 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000156020785 526035398 /nfs/dbraw/zinc/03/53/98/526035398.db2.gz JOKXTMCJCAREPT-UHFFFAOYSA-N 1 2 374.401 1.546 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000185859522 536219438 /nfs/dbraw/zinc/21/94/38/536219438.db2.gz AAWPWRZGETUXCX-HNNXBMFYSA-N 1 2 369.443 1.470 20 5 FDBDLO CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186337816 536232498 /nfs/dbraw/zinc/23/24/98/536232498.db2.gz WGDHAYGZMINIRN-UHFFFAOYSA-N 1 2 350.419 1.398 20 5 FDBDLO CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186337816 536232499 /nfs/dbraw/zinc/23/24/99/536232499.db2.gz WGDHAYGZMINIRN-UHFFFAOYSA-N 1 2 350.419 1.398 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCN(C(N)=O)CC1 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O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000587057724 551630363 /nfs/dbraw/zinc/63/03/63/551630363.db2.gz YACZQZQOUMZYJV-GFCCVEGCSA-N 1 2 352.354 1.722 20 5 FDBDLO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590053476 551758284 /nfs/dbraw/zinc/75/82/84/551758284.db2.gz YYVVLIKWYZITOG-NSHDSACASA-N 1 2 356.400 1.233 20 5 FDBDLO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590053476 551758285 /nfs/dbraw/zinc/75/82/85/551758285.db2.gz YYVVLIKWYZITOG-NSHDSACASA-N 1 2 356.400 1.233 20 5 FDBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)S(C)(=O)=O ZINC000590674209 551804084 /nfs/dbraw/zinc/80/40/84/551804084.db2.gz NOYIYPABDBWJDO-UHFFFAOYSA-N 1 2 366.399 1.334 20 5 FDBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000591782384 551908349 /nfs/dbraw/zinc/90/83/49/551908349.db2.gz KUXPRUOBSIVZAL-PELKAZGASA-N 1 2 358.276 1.822 20 5 FDBDLO CCOC(=O)Cc1ccc(N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000591897213 551914143 /nfs/dbraw/zinc/91/41/43/551914143.db2.gz LRNNJZXGWGVXJW-ZDUSSCGKSA-N 1 2 351.403 1.833 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000592193692 551956189 /nfs/dbraw/zinc/95/61/89/551956189.db2.gz MUNQXUIPHNNCOX-ZYHUDNBSSA-N 1 2 362.304 1.969 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000592193692 551956190 /nfs/dbraw/zinc/95/61/90/551956190.db2.gz MUNQXUIPHNNCOX-ZYHUDNBSSA-N 1 2 362.304 1.969 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592745872 552023233 /nfs/dbraw/zinc/02/32/33/552023233.db2.gz NUAAFVAAMDHBBT-UHFFFAOYSA-N 1 2 356.386 1.805 20 5 FDBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000593068470 552057783 /nfs/dbraw/zinc/05/77/83/552057783.db2.gz OQPRFWCTFTWZOH-MRXNPFEDSA-N 1 2 365.405 1.990 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)nc1 ZINC000593529637 552123971 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ZINC000596234662 552667135 /nfs/dbraw/zinc/66/71/35/552667135.db2.gz WJQSYBOKBXINQS-UHFFFAOYSA-N 1 2 350.400 1.990 20 5 FDBDLO COC[C@@H](CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OC ZINC000596332317 552674694 /nfs/dbraw/zinc/67/46/94/552674694.db2.gz XYWZQSHRKZWMCT-OAHLLOKOSA-N 1 2 353.419 1.890 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000596579927 552691139 /nfs/dbraw/zinc/69/11/39/552691139.db2.gz RQUCJJIAGWDPIO-QWHCGFSZSA-N 1 2 350.419 1.812 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000596579927 552691140 /nfs/dbraw/zinc/69/11/40/552691140.db2.gz RQUCJJIAGWDPIO-QWHCGFSZSA-N 1 2 350.419 1.812 20 5 FDBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596783125 552709905 /nfs/dbraw/zinc/70/99/05/552709905.db2.gz AULMGBRYSFFHLO-LBPRGKRZSA-N 1 2 356.386 1.167 20 5 FDBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596783125 552709907 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ZINC000294872874 184015474 /nfs/dbraw/zinc/01/54/74/184015474.db2.gz DKDPZVISHHKCSI-SNVBAGLBSA-N 1 2 363.461 1.319 20 5 FDBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000295151437 184038773 /nfs/dbraw/zinc/03/87/73/184038773.db2.gz BSPOAOCXPQYXRM-KGLIPLIRSA-N 1 2 363.414 1.471 20 5 FDBDLO C[C@H](O)C[N@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000295151437 184038774 /nfs/dbraw/zinc/03/87/74/184038774.db2.gz BSPOAOCXPQYXRM-KGLIPLIRSA-N 1 2 363.414 1.471 20 5 FDBDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298040003 184380381 /nfs/dbraw/zinc/38/03/81/184380381.db2.gz HEJLFRDBIYPZET-CQSZACIVSA-N 1 2 361.446 1.949 20 5 FDBDLO O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000298307906 184426320 /nfs/dbraw/zinc/42/63/20/184426320.db2.gz MVXUVAMGXZTTRP-UHFFFAOYSA-N 1 2 372.381 1.522 20 5 FDBDLO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1c(F)cccc1F ZINC000547730457 542429989 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PFLVYUVLNGVWQL-ZDUSSCGKSA-N 1 2 368.459 1.520 20 5 FDBDLO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000548418204 542662447 /nfs/dbraw/zinc/66/24/47/542662447.db2.gz OTNIBTRYEAJURQ-QWHCGFSZSA-N 1 2 351.313 1.771 20 5 FDBDLO C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000548418204 542662451 /nfs/dbraw/zinc/66/24/51/542662451.db2.gz OTNIBTRYEAJURQ-QWHCGFSZSA-N 1 2 351.313 1.771 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000548931021 542810204 /nfs/dbraw/zinc/81/02/04/542810204.db2.gz YZJRQKCRIMQJII-GHMZBOCLSA-N 1 2 360.374 1.257 20 5 FDBDLO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552062599 543413206 /nfs/dbraw/zinc/41/32/06/543413206.db2.gz AMTHWWPBRNSASM-GOEBONIOSA-N 1 2 372.429 1.811 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000552945959 543541288 /nfs/dbraw/zinc/54/12/88/543541288.db2.gz IFHHGXTVEPJZMA-INIZCTEOSA-N 1 2 371.397 1.634 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000072717871 172048484 /nfs/dbraw/zinc/04/84/84/172048484.db2.gz DIYVBFMXSWGMFA-UHFFFAOYSA-N 1 2 371.459 1.635 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089990757 172257352 /nfs/dbraw/zinc/25/73/52/172257352.db2.gz VFADKRAXTKDHLD-UHFFFAOYSA-N 1 2 371.459 1.883 20 5 FDBDLO Cn1cc(N2CC[C@H]([NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cn1 ZINC000111192530 172540667 /nfs/dbraw/zinc/54/06/67/172540667.db2.gz XWXANQVQYPBVIT-KRWDZBQOSA-N 1 2 370.413 1.256 20 5 FDBDLO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000128441168 173109865 /nfs/dbraw/zinc/10/98/65/173109865.db2.gz YKTKXTFPPFTDLY-UHFFFAOYSA-N 1 2 360.414 1.352 20 5 FDBDLO Cc1nn(CCC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c(C)c1[N+](=O)[O-] ZINC000130705303 173178853 /nfs/dbraw/zinc/17/88/53/173178853.db2.gz TWAXJMAUKVALAU-OAHLLOKOSA-N 1 2 372.429 1.978 20 5 FDBDLO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000150728503 173379108 /nfs/dbraw/zinc/37/91/08/173379108.db2.gz GNIARAFOHWSISA-AWEZNQCLSA-N 1 2 350.419 1.481 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177280501 174119663 /nfs/dbraw/zinc/11/96/63/174119663.db2.gz PUXKNBUOPKTHOT-KEYYUXOJSA-N 1 2 362.430 1.574 20 5 FDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181536244 174230942 /nfs/dbraw/zinc/23/09/42/174230942.db2.gz LPTFBHZBBKUPGO-WBVHZDCISA-N 1 2 371.393 1.247 20 5 FDBDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181536244 174230946 /nfs/dbraw/zinc/23/09/46/174230946.db2.gz LPTFBHZBBKUPGO-WBVHZDCISA-N 1 2 371.393 1.247 20 5 FDBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179381797 258349367 /nfs/dbraw/zinc/34/93/67/258349367.db2.gz QDHIRRDULKRFCA-ZDUSSCGKSA-N 1 2 350.444 1.436 20 5 FDBDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180166994 258363367 /nfs/dbraw/zinc/36/33/67/258363367.db2.gz ZKDRNRAMVIXRSR-UHFFFAOYSA-N 1 2 352.416 1.686 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000180389913 258367895 /nfs/dbraw/zinc/36/78/95/258367895.db2.gz WVRYWKXVNKXRQM-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000180389913 258367896 /nfs/dbraw/zinc/36/78/96/258367896.db2.gz WVRYWKXVNKXRQM-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173541579 258302111 /nfs/dbraw/zinc/30/21/11/258302111.db2.gz QSMJVUWHZVYAOY-CQSZACIVSA-N 1 2 369.443 1.246 20 5 FDBDLO C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173973561 258315928 /nfs/dbraw/zinc/31/59/28/258315928.db2.gz PRCCTTHMRXKPBL-BBRMVZONSA-N 1 2 365.455 1.866 20 5 FDBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000178607849 258329658 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COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190364548 537168510 /nfs/dbraw/zinc/16/85/10/537168510.db2.gz MMVSCODAIXMSCS-MRXNPFEDSA-N 1 2 371.459 1.467 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000266265624 537194819 /nfs/dbraw/zinc/19/48/19/537194819.db2.gz YSHBJCCXXOIWSQ-WBMJQRKESA-N 1 2 358.398 1.869 20 5 FDBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248953991 537222443 /nfs/dbraw/zinc/22/24/43/537222443.db2.gz BLDXKJIPSYGIQU-CXAGYDPISA-N 1 2 351.403 1.325 20 5 FDBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248953991 537222444 /nfs/dbraw/zinc/22/24/44/537222444.db2.gz BLDXKJIPSYGIQU-CXAGYDPISA-N 1 2 351.403 1.325 20 5 FDBDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192644071 537228620 /nfs/dbraw/zinc/22/86/20/537228620.db2.gz JYMWCKGHJVTZDB-SECBINFHSA-N 1 2 362.308 1.803 20 5 FDBDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192644071 537228622 /nfs/dbraw/zinc/22/86/22/537228622.db2.gz JYMWCKGHJVTZDB-SECBINFHSA-N 1 2 362.308 1.803 20 5 FDBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)S1 ZINC000278138832 537261572 /nfs/dbraw/zinc/26/15/72/537261572.db2.gz NXSRWEYFFFMLEC-UHFFFAOYSA-N 1 2 365.415 1.335 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000298755916 537303525 /nfs/dbraw/zinc/30/35/25/537303525.db2.gz OJGARKJGFKKCTJ-UHFFFAOYSA-N 1 2 371.397 1.420 20 5 FDBDLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000270392715 537321925 /nfs/dbraw/zinc/32/19/25/537321925.db2.gz MZDPMPHVLMJAMJ-UHFFFAOYSA-N 1 2 373.431 1.299 20 5 FDBDLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000270392715 537321932 /nfs/dbraw/zinc/32/19/32/537321932.db2.gz MZDPMPHVLMJAMJ-UHFFFAOYSA-N 1 2 373.431 1.299 20 5 FDBDLO COc1ccccc1C[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000271435773 537442531 /nfs/dbraw/zinc/44/25/31/537442531.db2.gz SMEJGRKJPCPDIB-UHFFFAOYSA-N 1 2 359.386 1.295 20 5 FDBDLO O=c1[nH]c(N2CC[NH+](Cc3ccccn3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000280952585 537482950 /nfs/dbraw/zinc/48/29/50/537482950.db2.gz JVQJJPSMHRCMPI-UHFFFAOYSA-N 1 2 366.381 1.961 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000291697996 537663226 /nfs/dbraw/zinc/66/32/26/537663226.db2.gz HUCOGTXHZMJIIX-AWEZNQCLSA-N 1 2 350.400 1.512 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000291697996 537663228 /nfs/dbraw/zinc/66/32/28/537663228.db2.gz HUCOGTXHZMJIIX-AWEZNQCLSA-N 1 2 350.400 1.512 20 5 FDBDLO CCNC(=O)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000294231519 537677078 /nfs/dbraw/zinc/67/70/78/537677078.db2.gz FVXMAYYJKJBIOR-HNNXBMFYSA-N 1 2 359.386 1.671 20 5 FDBDLO COCC[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000294433693 537695526 /nfs/dbraw/zinc/69/55/26/537695526.db2.gz 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Cc1c(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000377585322 537984363 /nfs/dbraw/zinc/98/43/63/537984363.db2.gz RTACVOFQSMNYCE-UHFFFAOYSA-N 1 2 360.414 1.459 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369067859 537999850 /nfs/dbraw/zinc/99/98/50/537999850.db2.gz VSOKHBKCUCQSCC-WFASDCNBSA-N 1 2 360.414 1.912 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369067859 537999860 /nfs/dbraw/zinc/99/98/60/537999860.db2.gz VSOKHBKCUCQSCC-WFASDCNBSA-N 1 2 360.414 1.912 20 5 FDBDLO NC(=O)c1ncn([C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000432178554 538125063 /nfs/dbraw/zinc/12/50/63/538125063.db2.gz UKQKHLNXYWVKBY-JTQLQIEISA-N 1 2 364.793 1.776 20 5 FDBDLO NC(=O)c1ncn([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000432178554 538125068 /nfs/dbraw/zinc/12/50/68/538125068.db2.gz UKQKHLNXYWVKBY-JTQLQIEISA-N 1 2 364.793 1.776 20 5 FDBDLO 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/nfs/dbraw/zinc/11/49/41/261114941.db2.gz MWOUUFXBMZKEHU-HNNXBMFYSA-N 1 2 361.377 1.802 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000374380473 261120890 /nfs/dbraw/zinc/12/08/90/261120890.db2.gz LOKCZRYTGAXGEQ-NSHDSACASA-N 1 2 358.354 1.729 20 5 FDBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374377662 261121364 /nfs/dbraw/zinc/12/13/64/261121364.db2.gz MHLDNUSGAFXNOG-CYBMUJFWSA-N 1 2 370.394 1.781 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)[C@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)CC2 ZINC000374667442 261172274 /nfs/dbraw/zinc/17/22/74/261172274.db2.gz ZQIOISBNBOKRRI-OAHLLOKOSA-N 1 2 355.354 1.635 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)CC2 ZINC000374857217 261212361 /nfs/dbraw/zinc/21/23/61/261212361.db2.gz AJCGBQUKEWLJBG-UHFFFAOYSA-N 1 2 364.383 1.159 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000374919942 261226723 /nfs/dbraw/zinc/22/67/23/261226723.db2.gz 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522182404 /nfs/dbraw/zinc/18/24/04/522182404.db2.gz UDQSTVRJBBRVNC-UHFFFAOYSA-N 1 2 372.381 1.262 20 5 FDBDLO CN(C)c1ccc(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c[nH+]1 ZINC000046387129 522288659 /nfs/dbraw/zinc/28/86/59/522288659.db2.gz GTZTZKNRJFYNHY-UHFFFAOYSA-N 1 2 367.369 1.567 20 5 FDBDLO O=C(C[NH+]1CCC2(CNC(=O)C2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072697011 522362970 /nfs/dbraw/zinc/36/29/70/522362970.db2.gz IKRODHGCRPSONT-UHFFFAOYSA-N 1 2 366.805 1.789 20 5 FDBDLO NS(=O)(=O)c1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000047405174 522511429 /nfs/dbraw/zinc/51/14/29/522511429.db2.gz JXSRBLWUCRBQKN-UHFFFAOYSA-N 1 2 351.388 1.551 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000063663172 522622802 /nfs/dbraw/zinc/62/28/02/522622802.db2.gz PGAVNUSWUWONCQ-UHFFFAOYSA-N 1 2 365.430 1.899 20 5 FDBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000076267440 523058821 /nfs/dbraw/zinc/05/88/21/523058821.db2.gz KFVVLLNNQQALIA-CQSZACIVSA-N 1 2 358.402 1.761 20 5 FDBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000052408099 523170212 /nfs/dbraw/zinc/17/02/12/523170212.db2.gz SEBVUBYYCZCJNV-UHFFFAOYSA-N 1 2 368.459 1.673 20 5 FDBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000052408099 523170220 /nfs/dbraw/zinc/17/02/20/523170220.db2.gz SEBVUBYYCZCJNV-UHFFFAOYSA-N 1 2 368.459 1.673 20 5 FDBDLO Cc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCOCC2)c1 ZINC000076715457 523176249 /nfs/dbraw/zinc/17/62/49/523176249.db2.gz HQHAIYLUTSIGGM-AWEZNQCLSA-N 1 2 358.402 1.761 20 5 FDBDLO Cc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCOCC2)c1 ZINC000076715452 523176843 /nfs/dbraw/zinc/17/68/43/523176843.db2.gz HQHAIYLUTSIGGM-CQSZACIVSA-N 1 2 358.402 1.761 20 5 FDBDLO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844751 523281533 /nfs/dbraw/zinc/28/15/33/523281533.db2.gz RFRDGGMOCPFSCJ-UHFFFAOYSA-N 1 2 372.429 1.109 20 5 FDBDLO 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20 5 FDBDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596107353 552655785 /nfs/dbraw/zinc/65/57/85/552655785.db2.gz MPLZUUWUGFDNEK-GFCCVEGCSA-N 1 2 362.434 1.141 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596179999 552662713 /nfs/dbraw/zinc/66/27/13/552662713.db2.gz OHJWYPJXOWAKOH-CHWSQXEVSA-N 1 2 366.418 1.512 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596179999 552662714 /nfs/dbraw/zinc/66/27/14/552662714.db2.gz OHJWYPJXOWAKOH-CHWSQXEVSA-N 1 2 366.418 1.512 20 5 FDBDLO COc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596180364 552662726 /nfs/dbraw/zinc/66/27/26/552662726.db2.gz XOAJSSPENLGDLR-STQMWFEESA-N 1 2 366.418 1.512 20 5 FDBDLO COc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596180364 552662727 /nfs/dbraw/zinc/66/27/27/552662727.db2.gz XOAJSSPENLGDLR-STQMWFEESA-N 1 2 366.418 1.512 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596419562 552677333 /nfs/dbraw/zinc/67/73/33/552677333.db2.gz UMSLYHVGPBRWSO-UONOGXRCSA-N 1 2 350.419 1.546 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596419562 552677336 /nfs/dbraw/zinc/67/73/36/552677336.db2.gz UMSLYHVGPBRWSO-UONOGXRCSA-N 1 2 350.419 1.546 20 5 FDBDLO COC(=O)Cc1ccc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596426885 552678148 /nfs/dbraw/zinc/67/81/48/552678148.db2.gz CPADBAZISSWFRO-QWHCGFSZSA-N 1 2 351.403 1.831 20 5 FDBDLO COC(=O)Cc1ccc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596426885 552678150 /nfs/dbraw/zinc/67/81/50/552678150.db2.gz CPADBAZISSWFRO-QWHCGFSZSA-N 1 2 351.403 1.831 20 5 FDBDLO Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596551380 552688493 /nfs/dbraw/zinc/68/84/93/552688493.db2.gz JSGNFASEOFIKQD-KRWDZBQOSA-N 1 2 355.442 2.526 20 5 FDBDLO Cc1cc(NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596551380 552688494 /nfs/dbraw/zinc/68/84/94/552688494.db2.gz JSGNFASEOFIKQD-KRWDZBQOSA-N 1 2 355.442 2.526 20 5 FDBDLO Cc1cc(OCC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000597706077 552824339 /nfs/dbraw/zinc/82/43/39/552824339.db2.gz CLGJZYVPMHGCMS-HNNXBMFYSA-N 1 2 363.414 1.605 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1[N+](=O)[O-] ZINC000597848149 552840242 /nfs/dbraw/zinc/84/02/42/552840242.db2.gz UXCSRUBCIRPJRC-ZDUSSCGKSA-N 1 2 364.406 1.664 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](Cn2ccnn2)C1 ZINC000597900601 552845312 /nfs/dbraw/zinc/84/53/12/552845312.db2.gz DLAKGSVGOCDGGF-ZDUSSCGKSA-N 1 2 367.369 1.534 20 5 FDBDLO COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598424587 552893741 /nfs/dbraw/zinc/89/37/41/552893741.db2.gz RKIQILNGLHEMRO-BETUJISGSA-N 1 2 358.354 1.804 20 5 FDBDLO C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598464067 552899187 /nfs/dbraw/zinc/89/91/87/552899187.db2.gz FOEOEKLDUFECAZ-SNVBAGLBSA-N 1 2 371.353 1.473 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598945751 552950031 /nfs/dbraw/zinc/95/00/31/552950031.db2.gz BZCBEKRRWDIRGR-DGCLKSJQSA-N 1 2 357.370 1.041 20 5 FDBDLO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000599040966 552961627 /nfs/dbraw/zinc/96/16/27/552961627.db2.gz NVZTVTQRRNJYTF-UHFFFAOYSA-N 1 2 358.192 1.107 20 5 FDBDLO O=C(NCCCO)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599059150 552963533 /nfs/dbraw/zinc/96/35/33/552963533.db2.gz NEAGIXSENRBYME-UHFFFAOYSA-N 1 2 358.398 1.858 20 5 FDBDLO CCNS(=O)(=O)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599062591 552963955 /nfs/dbraw/zinc/96/39/55/552963955.db2.gz OIXBCNYKGNELBV-GFCCVEGCSA-N 1 2 350.400 1.661 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](Cc3cn[nH]c3)CC2)cccc1[N+](=O)[O-] ZINC000599439230 553057193 /nfs/dbraw/zinc/05/71/93/553057193.db2.gz LHMOHLHSTRZIRD-CQSZACIVSA-N 1 2 372.429 1.771 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599567802 553089467 /nfs/dbraw/zinc/08/94/67/553089467.db2.gz PDIBXEAKQPUSPA-INIZCTEOSA-N 1 2 362.342 1.409 20 5 FDBDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599567802 553089470 /nfs/dbraw/zinc/08/94/70/553089470.db2.gz PDIBXEAKQPUSPA-INIZCTEOSA-N 1 2 362.342 1.409 20 5 FDBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(c3ncccc3[N+](=O)[O-])CC1)CC2 ZINC000599997228 553196378 /nfs/dbraw/zinc/19/63/78/553196378.db2.gz NESFQHBOHLCGFZ-AWEZNQCLSA-N 1 2 370.413 1.406 20 5 FDBDLO Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600680470 553299102 /nfs/dbraw/zinc/29/91/02/553299102.db2.gz FGRGTMXTEAWJPS-INIZCTEOSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000600680470 553299103 /nfs/dbraw/zinc/29/91/03/553299103.db2.gz FGRGTMXTEAWJPS-INIZCTEOSA-N 1 2 370.409 1.929 20 5 FDBDLO C[C@@H]1C[N@H+](CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)CO1 ZINC000601194342 553358366 /nfs/dbraw/zinc/35/83/66/553358366.db2.gz ZAKKLYGIGIYXDY-RKDXNWHRSA-N 1 2 351.329 1.868 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)CO1 ZINC000601194342 553358368 /nfs/dbraw/zinc/35/83/68/553358368.db2.gz ZAKKLYGIGIYXDY-RKDXNWHRSA-N 1 2 351.329 1.868 20 5 FDBDLO C[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC000601781463 553474596 /nfs/dbraw/zinc/47/45/96/553474596.db2.gz WOVHOMDRAJSBJO-BLLLJJGKSA-N 1 2 353.444 1.356 20 5 FDBDLO Cc1c(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)cccc1[N+](=O)[O-] ZINC000601887682 553487484 /nfs/dbraw/zinc/48/74/84/553487484.db2.gz HRDSWBOITAOTAJ-UHFFFAOYSA-N 1 2 369.425 1.623 20 5 FDBDLO CN1CCCC[C@H]([N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O ZINC000601969083 553497062 /nfs/dbraw/zinc/49/70/62/553497062.db2.gz IOMDOVVHCUIVDG-JKSUJKDBSA-N 1 2 360.414 1.643 20 5 FDBDLO CN1CCCC[C@H]([N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O ZINC000601969083 553497064 /nfs/dbraw/zinc/49/70/64/553497064.db2.gz IOMDOVVHCUIVDG-JKSUJKDBSA-N 1 2 360.414 1.643 20 5 FDBDLO Cc1cc(C(=O)N2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)c(C)o1 ZINC000602762263 553633235 /nfs/dbraw/zinc/63/32/35/553633235.db2.gz DNDDSLMRYWHKQZ-UHFFFAOYSA-N 1 2 361.402 1.768 20 5 FDBDLO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000602939296 553674923 /nfs/dbraw/zinc/67/49/23/553674923.db2.gz AXBARYLURJMGMF-CYBMUJFWSA-N 1 2 361.377 1.862 20 5 FDBDLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000602939296 553674924 /nfs/dbraw/zinc/67/49/24/553674924.db2.gz AXBARYLURJMGMF-CYBMUJFWSA-N 1 2 361.377 1.862 20 5 FDBDLO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603086557 553707239 /nfs/dbraw/zinc/70/72/39/553707239.db2.gz LCFFKNBDWVSVDU-CABZTGNLSA-N 1 2 360.151 1.766 20 5 FDBDLO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000603086557 553707242 /nfs/dbraw/zinc/70/72/42/553707242.db2.gz LCFFKNBDWVSVDU-CABZTGNLSA-N 1 2 360.151 1.766 20 5 FDBDLO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000603422784 553784619 /nfs/dbraw/zinc/78/46/19/553784619.db2.gz IUNDFOGGDHXJOZ-CYBMUJFWSA-N 1 2 369.853 1.274 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)c[nH+]2)C[C@H](C)O1 ZINC000603665462 553808506 /nfs/dbraw/zinc/80/85/06/553808506.db2.gz ZUZXPZLHLGVDSA-STQMWFEESA-N 1 2 373.413 1.872 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609134723 554341326 /nfs/dbraw/zinc/34/13/26/554341326.db2.gz MOQNDHUIOCASOT-GFCCVEGCSA-N 1 2 366.399 1.826 20 5 FDBDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000609265787 554353530 /nfs/dbraw/zinc/35/35/30/554353530.db2.gz XVTIASKJELIKLR-UHFFFAOYSA-N 1 2 373.369 1.015 20 5 FDBDLO CCn1cnnc1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000609488502 554383359 /nfs/dbraw/zinc/38/33/59/554383359.db2.gz PPTAWFLYLOVJCH-UHFFFAOYSA-N 1 2 355.358 1.364 20 5 FDBDLO O=C(CCCn1cc[nH+]c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610118052 554463803 /nfs/dbraw/zinc/46/38/03/554463803.db2.gz UUVIFFOBOYCQOO-UHFFFAOYSA-N 1 2 371.397 1.556 20 5 FDBDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000610260264 554482974 /nfs/dbraw/zinc/48/29/74/554482974.db2.gz HJHFMIJBHVAWNW-TXEJJXNPSA-N 1 2 372.447 1.156 20 5 FDBDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000610260264 554482976 /nfs/dbraw/zinc/48/29/76/554482976.db2.gz HJHFMIJBHVAWNW-TXEJJXNPSA-N 1 2 372.447 1.156 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000610560082 554527999 /nfs/dbraw/zinc/52/79/99/554527999.db2.gz ZEZARVVBTMADQD-HNNXBMFYSA-N 1 2 369.443 1.389 20 5 FDBDLO COC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000610963967 554588590 /nfs/dbraw/zinc/58/85/90/554588590.db2.gz WXIYYYQQEJVWPX-UHFFFAOYSA-N 1 2 360.370 1.706 20 5 FDBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000611285223 554622519 /nfs/dbraw/zinc/62/25/19/554622519.db2.gz DGSUHHUIEOAPEO-GFCCVEGCSA-N 1 2 369.385 1.449 20 5 FDBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000611285223 554622520 /nfs/dbraw/zinc/62/25/20/554622520.db2.gz DGSUHHUIEOAPEO-GFCCVEGCSA-N 1 2 369.385 1.449 20 5 FDBDLO C[C@H]1CN(c2ccc(CNc3cc(N)c([N+](=O)[O-])c(CO)c3)c[nH+]2)CCO1 ZINC000611525846 554641598 /nfs/dbraw/zinc/64/15/98/554641598.db2.gz WWVDMXAWFCTYPS-LBPRGKRZSA-N 1 2 373.413 1.902 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000611834499 554688254 /nfs/dbraw/zinc/68/82/54/554688254.db2.gz SQZIFKXBVKYIEL-HNNXBMFYSA-N 1 2 371.397 1.693 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC3(CCOC3)CC2)cc1 ZINC000612110559 554735340 /nfs/dbraw/zinc/73/53/40/554735340.db2.gz QUEOVSQHXDTMBV-UHFFFAOYSA-N 1 2 354.428 1.871 20 5 FDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000290973413 567900942 /nfs/dbraw/zinc/90/09/42/567900942.db2.gz QZCHHSHRTPETIF-ZWNOBZJWSA-N 1 2 352.366 1.251 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000272805961 674476363 /nfs/dbraw/zinc/47/63/63/674476363.db2.gz IGXCETPSNGRWOG-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000272805961 674476364 /nfs/dbraw/zinc/47/63/64/674476364.db2.gz IGXCETPSNGRWOG-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO C[C@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273330643 674528085 /nfs/dbraw/zinc/52/80/85/674528085.db2.gz LYOLPIGWLQFPOC-TZMCWYRMSA-N 1 2 372.443 1.232 20 5 FDBDLO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273330643 674528087 /nfs/dbraw/zinc/52/80/87/674528087.db2.gz LYOLPIGWLQFPOC-TZMCWYRMSA-N 1 2 372.443 1.232 20 5 FDBDLO CO[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@@H]1C ZINC000275829673 674647094 /nfs/dbraw/zinc/64/70/94/674647094.db2.gz LMBHOYSPNYCUGM-ZUZCIYMTSA-N 1 2 351.359 1.619 20 5 FDBDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[C@@H]1C ZINC000275829673 674647097 /nfs/dbraw/zinc/64/70/97/674647097.db2.gz LMBHOYSPNYCUGM-ZUZCIYMTSA-N 1 2 351.359 1.619 20 5 FDBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[NH+](CCO)CC1 ZINC000278518167 675148207 /nfs/dbraw/zinc/14/82/07/675148207.db2.gz SCZXNKOPXCGNFD-UHFFFAOYSA-N 1 2 370.278 1.758 20 5 FDBDLO COCCOC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000116868572 671659551 /nfs/dbraw/zinc/65/95/51/671659551.db2.gz AUEZCTCMUYPQPN-UHFFFAOYSA-N 1 2 351.359 1.588 20 5 FDBDLO CCOC(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)OCC ZINC000125012661 671743619 /nfs/dbraw/zinc/74/36/19/671743619.db2.gz DYZZJUBIUUVQGA-UHFFFAOYSA-N 1 2 351.403 1.752 20 5 FDBDLO [NH3+]CC(F)(F)CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000186993735 672278593 /nfs/dbraw/zinc/27/85/93/672278593.db2.gz DSAWGSYTHLLGAU-UHFFFAOYSA-N 1 2 374.163 1.230 20 5 FDBDLO Cc1c(F)cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249358894 672557397 /nfs/dbraw/zinc/55/73/97/672557397.db2.gz SAGDLNCWKYDEJJ-LBPRGKRZSA-N 1 2 357.407 1.901 20 5 FDBDLO Cc1c(F)cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249358894 672557400 /nfs/dbraw/zinc/55/74/00/672557400.db2.gz SAGDLNCWKYDEJJ-LBPRGKRZSA-N 1 2 357.407 1.901 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261645565 672642170 /nfs/dbraw/zinc/64/21/70/672642170.db2.gz GSTOSKVRVULSBH-OAHLLOKOSA-N 1 2 362.411 1.633 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261730549 672660163 /nfs/dbraw/zinc/66/01/63/672660163.db2.gz OFRMSSZJDOLRBA-OAHLLOKOSA-N 1 2 362.411 1.633 20 5 FDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261913033 672692608 /nfs/dbraw/zinc/69/26/08/672692608.db2.gz YKMYJVGRKZLJKB-CYBMUJFWSA-N 1 2 366.374 1.464 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000279420320 675291769 /nfs/dbraw/zinc/29/17/69/675291769.db2.gz XXKGBOXXZSWQQL-GFCCVEGCSA-N 1 2 355.822 1.970 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000281445482 675520175 /nfs/dbraw/zinc/52/01/75/675520175.db2.gz DUQUZYNOJOOKHD-AWEZNQCLSA-N 1 2 350.419 1.034 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000281445482 675520176 /nfs/dbraw/zinc/52/01/76/675520176.db2.gz DUQUZYNOJOOKHD-AWEZNQCLSA-N 1 2 350.419 1.034 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000283994366 675664598 /nfs/dbraw/zinc/66/45/98/675664598.db2.gz NELRFEMNCNAXDE-CHWSQXEVSA-N 1 2 351.403 1.833 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000325958985 676579659 /nfs/dbraw/zinc/57/96/59/676579659.db2.gz PCFXSTAWDKIRFX-NSHDSACASA-N 1 2 352.734 1.485 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000325958985 676579662 /nfs/dbraw/zinc/57/96/62/676579662.db2.gz PCFXSTAWDKIRFX-NSHDSACASA-N 1 2 352.734 1.485 20 5 FDBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000350202397 676827461 /nfs/dbraw/zinc/82/74/61/676827461.db2.gz UBTLIKXRXQMTCJ-UHFFFAOYSA-N 1 2 363.355 1.373 20 5 FDBDLO NS(=O)(=O)c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000361380037 676892357 /nfs/dbraw/zinc/89/23/57/676892357.db2.gz WEFNGTKCMWOSID-UHFFFAOYSA-N 1 2 351.388 1.349 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000364836463 677055057 /nfs/dbraw/zinc/05/50/57/677055057.db2.gz BNACBBZEWCGSHM-HWPZZCPQSA-N 1 2 366.805 1.787 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000364836463 677055059 /nfs/dbraw/zinc/05/50/59/677055059.db2.gz BNACBBZEWCGSHM-HWPZZCPQSA-N 1 2 366.805 1.787 20 5 FDBDLO CCc1cc([N+](=O)[O-])c(N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1Cl ZINC000366946924 677475949 /nfs/dbraw/zinc/47/59/49/677475949.db2.gz SCKUUCXJPBBORH-GFCCVEGCSA-N 1 2 370.837 1.433 20 5 FDBDLO CCc1cc([N+](=O)[O-])c(N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1Cl ZINC000366946924 677475950 /nfs/dbraw/zinc/47/59/50/677475950.db2.gz SCKUUCXJPBBORH-GFCCVEGCSA-N 1 2 370.837 1.433 20 5 FDBDLO CSc1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000372377473 677906323 /nfs/dbraw/zinc/90/63/23/677906323.db2.gz NDMNRSLIYVLWRI-GFCCVEGCSA-N 1 2 351.428 1.863 20 5 FDBDLO O=C1NC[C@H]2C[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]12 ZINC000377649072 678581807 /nfs/dbraw/zinc/58/18/07/678581807.db2.gz HQIYWMLIZNLQLI-QWRGUYRKSA-N 1 2 354.204 1.925 20 5 FDBDLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]12 ZINC000377649072 678581816 /nfs/dbraw/zinc/58/18/16/678581816.db2.gz HQIYWMLIZNLQLI-QWRGUYRKSA-N 1 2 354.204 1.925 20 5 FDBDLO COC(=O)c1cc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc([N+](=O)[O-])c1 ZINC000423700400 680810265 /nfs/dbraw/zinc/81/02/65/680810265.db2.gz SHKGADMBUUQULO-LLVKDONJSA-N 1 2 357.313 1.356 20 5 FDBDLO COC(=O)[C@H]1CSCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000412073578 679151697 /nfs/dbraw/zinc/15/16/97/679151697.db2.gz LBVFUWKLSPIFJR-VXGBXAGGSA-N 1 2 367.427 1.760 20 5 FDBDLO COC(=O)[C@H]1CSCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000412073578 679151699 /nfs/dbraw/zinc/15/16/99/679151699.db2.gz LBVFUWKLSPIFJR-VXGBXAGGSA-N 1 2 367.427 1.760 20 5 FDBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000420436610 680450017 /nfs/dbraw/zinc/45/00/17/680450017.db2.gz BDBJNPIMTAWOTB-GFCCVEGCSA-N 1 2 363.386 1.302 20 5 FDBDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420436993 680450128 /nfs/dbraw/zinc/45/01/28/680450128.db2.gz JEYKAVYZEIVQNQ-LBPRGKRZSA-N 1 2 351.787 1.570 20 5 FDBDLO C[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000420946951 680576817 /nfs/dbraw/zinc/57/68/17/680576817.db2.gz SQXVEULJPCEERY-QWRGUYRKSA-N 1 2 351.359 1.212 20 5 FDBDLO C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000420946951 680576824 /nfs/dbraw/zinc/57/68/24/680576824.db2.gz SQXVEULJPCEERY-QWRGUYRKSA-N 1 2 351.359 1.212 20 5 FDBDLO C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000420946947 680577065 /nfs/dbraw/zinc/57/70/65/680577065.db2.gz SQXVEULJPCEERY-MNOVXSKESA-N 1 2 351.359 1.212 20 5 FDBDLO C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000420946947 680577070 /nfs/dbraw/zinc/57/70/70/680577070.db2.gz SQXVEULJPCEERY-MNOVXSKESA-N 1 2 351.359 1.212 20 5 FDBDLO Cc1ccc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421390969 680656561 /nfs/dbraw/zinc/65/65/61/680656561.db2.gz TXULDBNHWPYNDK-UHFFFAOYSA-N 1 2 353.400 1.907 20 5 FDBDLO Cc1ccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000421390969 680656562 /nfs/dbraw/zinc/65/65/62/680656562.db2.gz TXULDBNHWPYNDK-UHFFFAOYSA-N 1 2 353.400 1.907 20 5 FDBDLO 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COC[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000532582062 694879797 /nfs/dbraw/zinc/87/97/97/694879797.db2.gz KCDQLGSHAJLFRQ-CYBMUJFWSA-N 1 2 351.359 1.240 20 5 FDBDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)no1 ZINC000478336938 782695057 /nfs/dbraw/zinc/69/50/57/782695057.db2.gz ICTVQPBCWQSPQG-GFCCVEGCSA-N 1 2 362.390 1.741 20 5 FDBDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)no1 ZINC000478336938 782695060 /nfs/dbraw/zinc/69/50/60/782695060.db2.gz ICTVQPBCWQSPQG-GFCCVEGCSA-N 1 2 362.390 1.741 20 5 FDBDLO Cc1nnc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1C ZINC000276572496 778233635 /nfs/dbraw/zinc/23/36/35/778233635.db2.gz LFHIEUVFEOEASS-UHFFFAOYSA-N 1 2 355.358 1.190 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2=O)C1 ZINC000276661115 778432953 /nfs/dbraw/zinc/43/29/53/778432953.db2.gz FWEGMZSSMZIMNX-AWEZNQCLSA-N 1 2 369.381 1.617 20 5 FDBDLO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000891596111 778437781 /nfs/dbraw/zinc/43/77/81/778437781.db2.gz LJHWRDSUWOYRKP-UHFFFAOYSA-N 1 2 359.386 1.422 20 5 FDBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC000981137091 807576756 /nfs/dbraw/zinc/57/67/56/807576756.db2.gz MJUPVZQDHIJNPL-UKRRQHHQSA-N 1 2 351.378 1.534 20 5 FDBDLO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC000981137091 807576764 /nfs/dbraw/zinc/57/67/64/807576764.db2.gz MJUPVZQDHIJNPL-UKRRQHHQSA-N 1 2 351.378 1.534 20 5 FDBDLO Cc1nc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cs1 ZINC000981764637 808450393 /nfs/dbraw/zinc/45/03/93/808450393.db2.gz WLCMKEOTJSYQLZ-ZIAGYGMSSA-N 1 2 350.444 1.541 20 5 FDBDLO Cc1nc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cs1 ZINC000981764637 808450395 /nfs/dbraw/zinc/45/03/95/808450395.db2.gz WLCMKEOTJSYQLZ-ZIAGYGMSSA-N 1 2 350.444 1.541 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1cccc(Cl)n1)C2 ZINC000981765211 808451178 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C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000595382065 552543369 /nfs/dbraw/zinc/54/33/69/552543369.db2.gz CDRSUKYUDSSBRR-GFCCVEGCSA-N 1 2 371.376 1.882 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](CO)(OC)C2)c([N+](=O)[O-])c1 ZINC000595660232 552598872 /nfs/dbraw/zinc/59/88/72/552598872.db2.gz CJKBVZZWVFHZPH-SJKOYZFVSA-N 1 2 367.402 1.404 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@](CO)(OC)C2)c([N+](=O)[O-])c1 ZINC000595660232 552598875 /nfs/dbraw/zinc/59/88/75/552598875.db2.gz CJKBVZZWVFHZPH-SJKOYZFVSA-N 1 2 367.402 1.404 20 5 FDBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C[C@H]21 ZINC000595785995 552614794 /nfs/dbraw/zinc/61/47/94/552614794.db2.gz OTLLVJSXXMSJPU-CAPXZKIUSA-N 1 2 354.428 1.708 20 5 FDBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C[C@H]21 ZINC000595785995 552614795 /nfs/dbraw/zinc/61/47/95/552614795.db2.gz OTLLVJSXXMSJPU-CAPXZKIUSA-N 1 2 354.428 1.708 20 5 FDBDLO 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ZINC000451857777 538330328 /nfs/dbraw/zinc/33/03/28/538330328.db2.gz HRCYGOKXSMOZKR-YPMHNXCESA-N 1 2 362.386 1.237 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451857777 538330333 /nfs/dbraw/zinc/33/03/33/538330333.db2.gz HRCYGOKXSMOZKR-YPMHNXCESA-N 1 2 362.386 1.237 20 5 FDBDLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000452335676 538376404 /nfs/dbraw/zinc/37/64/04/538376404.db2.gz RDRUDSWMMBFRTL-NSHDSACASA-N 1 2 373.369 1.964 20 5 FDBDLO O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457314515 538485585 /nfs/dbraw/zinc/48/55/85/538485585.db2.gz HEXBAQFMVPFABR-ZIAGYGMSSA-N 1 2 369.381 1.664 20 5 FDBDLO COc1cc(C[N@H+](C)[C@]2(CO)CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000461370266 538513006 /nfs/dbraw/zinc/51/30/06/538513006.db2.gz JIFCFOIQLVSPSO-HNNXBMFYSA-N 1 2 362.329 1.788 20 5 FDBDLO COc1cc(C[N@@H+](C)[C@]2(CO)CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000461370266 538513007 /nfs/dbraw/zinc/51/30/07/538513007.db2.gz JIFCFOIQLVSPSO-HNNXBMFYSA-N 1 2 362.329 1.788 20 5 FDBDLO COc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000486624769 538538880 /nfs/dbraw/zinc/53/88/80/538538880.db2.gz FLFDMDYCMCZMMW-AWEZNQCLSA-N 1 2 357.432 1.564 20 5 FDBDLO COc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000486624769 538538887 /nfs/dbraw/zinc/53/88/87/538538887.db2.gz FLFDMDYCMCZMMW-AWEZNQCLSA-N 1 2 357.432 1.564 20 5 FDBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467219791 538632095 /nfs/dbraw/zinc/63/20/95/538632095.db2.gz UXZODVJGTPTKKA-LLVKDONJSA-N 1 2 356.810 1.768 20 5 FDBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467219791 538632108 /nfs/dbraw/zinc/63/21/08/538632108.db2.gz UXZODVJGTPTKKA-LLVKDONJSA-N 1 2 356.810 1.768 20 5 FDBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000495203484 538642342 /nfs/dbraw/zinc/64/23/42/538642342.db2.gz RSRPCRAWEDQXCX-KGLIPLIRSA-N 1 2 351.403 1.277 20 5 FDBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000495203484 538642346 /nfs/dbraw/zinc/64/23/46/538642346.db2.gz RSRPCRAWEDQXCX-KGLIPLIRSA-N 1 2 351.403 1.277 20 5 FDBDLO CNS(=O)(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000560803452 545608911 /nfs/dbraw/zinc/60/89/11/545608911.db2.gz NFEZOGFQZFFBAZ-CYBMUJFWSA-N 1 2 350.400 1.661 20 5 FDBDLO CC[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(=O)OC ZINC000561854062 545968278 /nfs/dbraw/zinc/96/82/78/545968278.db2.gz SXJUIGKSFNVGRU-MRXNPFEDSA-N 1 2 353.375 1.863 20 5 FDBDLO O=C(NCCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000562520025 546165344 /nfs/dbraw/zinc/16/53/44/546165344.db2.gz BLMNZGNCYGMQCK-AWEZNQCLSA-N 1 2 360.370 1.706 20 5 FDBDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000568361087 548503788 /nfs/dbraw/zinc/50/37/88/548503788.db2.gz VPZCNZFXPTUDOV-CQSZACIVSA-N 1 2 365.433 1.820 20 5 FDBDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000568361087 548503792 /nfs/dbraw/zinc/50/37/92/548503792.db2.gz VPZCNZFXPTUDOV-CQSZACIVSA-N 1 2 365.433 1.820 20 5 FDBDLO C[C@H]1CC[C@@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000568545882 548581745 /nfs/dbraw/zinc/58/17/45/548581745.db2.gz CUIVJRLKRKASEU-JSGCOSHPSA-N 1 2 368.459 1.741 20 5 FDBDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])c2cc(F)ccc2C[NH2+]1 ZINC000569325204 548874671 /nfs/dbraw/zinc/87/46/71/548874671.db2.gz YZWBMDRQRZOGJY-SNVBAGLBSA-N 1 2 366.374 1.816 20 5 FDBDLO Cc1cccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000570790913 549411510 /nfs/dbraw/zinc/41/15/10/549411510.db2.gz MRKOUNBBMFPXQR-HNNXBMFYSA-N 1 2 359.386 1.430 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000570891384 549449743 /nfs/dbraw/zinc/44/97/43/549449743.db2.gz QCAMUKQLLVWLBK-LLVKDONJSA-N 1 2 360.374 1.556 20 5 FDBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000571596636 549703154 /nfs/dbraw/zinc/70/31/54/549703154.db2.gz ZULZTIFWEHEEGD-UHFFFAOYSA-N 1 2 360.399 1.929 20 5 FDBDLO C[C@@H]1COCCN1CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000571899893 549796389 /nfs/dbraw/zinc/79/63/89/549796389.db2.gz IIMJITRPIVPWPZ-RHSMWYFYSA-N 1 2 359.430 1.728 20 5 FDBDLO Cc1c(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cnn1C ZINC000573314449 550109633 /nfs/dbraw/zinc/10/96/33/550109633.db2.gz HTNCGHHYOMTPBM-UHFFFAOYSA-N 1 2 361.358 1.436 20 5 FDBDLO Cc1c(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cnn1C ZINC000573314449 550109634 /nfs/dbraw/zinc/10/96/34/550109634.db2.gz HTNCGHHYOMTPBM-UHFFFAOYSA-N 1 2 361.358 1.436 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C2 ZINC000574061240 550254210 /nfs/dbraw/zinc/25/42/10/550254210.db2.gz HIFXQKHSLQGUKX-AWEZNQCLSA-N 1 2 358.398 1.688 20 5 FDBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000576067307 550507241 /nfs/dbraw/zinc/50/72/41/550507241.db2.gz PHKJOLFTWWUGST-LBPRGKRZSA-N 1 2 361.406 1.456 20 5 FDBDLO CN1CC[NH+](C[C@H](O)Cn2cnc3cc4ccccc4cc3c2=O)CC1 ZINC000577481001 550660673 /nfs/dbraw/zinc/66/06/73/550660673.db2.gz FEKJJKNLOOSKNI-KRWDZBQOSA-N 1 2 352.438 1.158 20 5 FDBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000578383523 550758212 /nfs/dbraw/zinc/75/82/12/550758212.db2.gz SJVCSAFOEAGMCE-NSHDSACASA-N 1 2 367.349 1.737 20 5 FDBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000578383523 550758213 /nfs/dbraw/zinc/75/82/13/550758213.db2.gz SJVCSAFOEAGMCE-NSHDSACASA-N 1 2 367.349 1.737 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCOCC3CC3)CC2)cc1 ZINC000583235553 551322908 /nfs/dbraw/zinc/32/29/08/551322908.db2.gz CUFQJXCNNIUAKA-UHFFFAOYSA-N 1 2 369.443 1.328 20 5 FDBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[nH+]1 ZINC000583699014 551389986 /nfs/dbraw/zinc/38/99/86/551389986.db2.gz YNGKEKYUSNPJBP-UHFFFAOYSA-N 1 2 366.399 1.695 20 5 FDBDLO Nc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)cc(CO)c1[N+](=O)[O-] ZINC000585702453 551584307 /nfs/dbraw/zinc/58/43/07/551584307.db2.gz NAVDRLFCMONHOI-UHFFFAOYSA-N 1 2 359.386 1.513 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000585756335 551593801 /nfs/dbraw/zinc/59/38/01/551593801.db2.gz VVZIXMHGDNBKDW-INIZCTEOSA-N 1 2 354.428 1.871 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000585756335 551593803 /nfs/dbraw/zinc/59/38/03/551593803.db2.gz VVZIXMHGDNBKDW-INIZCTEOSA-N 1 2 354.428 1.871 20 5 FDBDLO Cc1c(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000588778084 551686609 /nfs/dbraw/zinc/68/66/09/551686609.db2.gz VGJZJEAOOUCQTF-UHFFFAOYSA-N 1 2 371.397 1.649 20 5 FDBDLO CN(C)c1[nH+]cccc1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000589106798 551710085 /nfs/dbraw/zinc/71/00/85/551710085.db2.gz MCHQJBQBCVOVBT-UHFFFAOYSA-N 1 2 351.388 1.315 20 5 FDBDLO NS(=O)(=O)c1ccc(NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000589113277 551710463 /nfs/dbraw/zinc/71/04/63/551710463.db2.gz HZDINHZYEACQDA-UHFFFAOYSA-N 1 2 365.415 1.941 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000589498614 551733915 /nfs/dbraw/zinc/73/39/15/551733915.db2.gz BRYLVELQUOUKJU-UHFFFAOYSA-N 1 2 357.370 1.494 20 5 FDBDLO NC(=O)c1ccnc(Nc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000589567988 551736414 /nfs/dbraw/zinc/73/64/14/551736414.db2.gz DUVREZOALARHPR-UHFFFAOYSA-N 1 2 357.370 1.665 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1 ZINC000590370428 551776623 /nfs/dbraw/zinc/77/66/23/551776623.db2.gz RLCANKIJYRRRQL-LBPRGKRZSA-N 1 2 370.427 1.638 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1 ZINC000590370428 551776625 /nfs/dbraw/zinc/77/66/25/551776625.db2.gz RLCANKIJYRRRQL-LBPRGKRZSA-N 1 2 370.427 1.638 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000590676871 551804418 /nfs/dbraw/zinc/80/44/18/551804418.db2.gz OAXSXSDCHLUKLW-IAGOWNOFSA-N 1 2 372.381 1.801 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(F)(F)C[C@@H]1CO ZINC000590747176 551811010 /nfs/dbraw/zinc/81/10/10/551811010.db2.gz MOITZPRCLTYKCI-LLVKDONJSA-N 1 2 352.297 1.623 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000592133302 551947684 /nfs/dbraw/zinc/94/76/84/551947684.db2.gz OKIUXXNNIIRWAH-UHFFFAOYSA-N 1 2 364.352 1.857 20 5 FDBDLO CCc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000592383591 551986951 /nfs/dbraw/zinc/98/69/51/551986951.db2.gz LSVBMNWNVQYZTN-GFCCVEGCSA-N 1 2 352.416 1.968 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000593312293 552087585 /nfs/dbraw/zinc/08/75/85/552087585.db2.gz BKWGIMZFLFHBEK-CYBMUJFWSA-N 1 2 355.358 1.020 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)nc1 ZINC000593525302 552122712 /nfs/dbraw/zinc/12/27/12/552122712.db2.gz PEIKWRLAIXPZSP-ZDUSSCGKSA-N 1 2 366.399 1.698 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593886702 552217860 /nfs/dbraw/zinc/21/78/60/552217860.db2.gz NHEYDMGTZRLLNC-UHFFFAOYSA-N 1 2 371.821 1.669 20 5 FDBDLO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594760563 552373951 /nfs/dbraw/zinc/37/39/51/552373951.db2.gz QYTARRNLVGRILN-BETUJISGSA-N 1 2 372.447 1.158 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595487387 552570942 /nfs/dbraw/zinc/57/09/42/552570942.db2.gz HNCFNNWATJERTR-UHFFFAOYSA-N 1 2 359.390 1.422 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@](CO)(OC)C2)c([N+](=O)[O-])c1 ZINC000595664096 552599534 /nfs/dbraw/zinc/59/95/34/552599534.db2.gz XSEUPXCGIJNXAP-MRXNPFEDSA-N 1 2 353.375 1.015 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@](CO)(OC)C2)c([N+](=O)[O-])c1 ZINC000595664096 552599535 /nfs/dbraw/zinc/59/95/35/552599535.db2.gz XSEUPXCGIJNXAP-MRXNPFEDSA-N 1 2 353.375 1.015 20 5 FDBDLO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O ZINC000595757882 552611976 /nfs/dbraw/zinc/61/19/76/552611976.db2.gz CGGUQAYQKYEBEY-CYBMUJFWSA-N 1 2 357.432 1.329 20 5 FDBDLO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O ZINC000595757882 552611978 /nfs/dbraw/zinc/61/19/78/552611978.db2.gz CGGUQAYQKYEBEY-CYBMUJFWSA-N 1 2 357.432 1.329 20 5 FDBDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595801764 552617265 /nfs/dbraw/zinc/61/72/65/552617265.db2.gz GESNSWWHVLLAFI-KRWDZBQOSA-N 1 2 368.386 1.636 20 5 FDBDLO COC[C@]1(C(=O)OC)CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595801764 552617266 /nfs/dbraw/zinc/61/72/66/552617266.db2.gz GESNSWWHVLLAFI-KRWDZBQOSA-N 1 2 368.386 1.636 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000595823355 552619688 /nfs/dbraw/zinc/61/96/88/552619688.db2.gz IZYGFVDCHMSGJH-GFCCVEGCSA-N 1 2 354.382 1.930 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c([N+](=O)[O-])cc1F ZINC000595823355 552619689 /nfs/dbraw/zinc/61/96/89/552619689.db2.gz IZYGFVDCHMSGJH-GFCCVEGCSA-N 1 2 354.382 1.930 20 5 FDBDLO CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596071752 552652449 /nfs/dbraw/zinc/65/24/49/552652449.db2.gz WHOYLLGPRRSWGZ-UHFFFAOYSA-N 1 2 360.336 1.872 20 5 FDBDLO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(N)=O)c3)c[nH+]2)CCO1 ZINC000596074700 552652698 /nfs/dbraw/zinc/65/26/98/552652698.db2.gz DZFOGECTBDTLGN-LBPRGKRZSA-N 1 2 371.397 1.926 20 5 FDBDLO COC(=O)c1cc(C)nc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596430345 552678518 /nfs/dbraw/zinc/67/85/18/552678518.db2.gz LWSJBHOOWROZBU-NWDGAFQWSA-N 1 2 352.391 1.606 20 5 FDBDLO COC(=O)c1cc(C)nc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596430345 552678520 /nfs/dbraw/zinc/67/85/20/552678520.db2.gz LWSJBHOOWROZBU-NWDGAFQWSA-N 1 2 352.391 1.606 20 5 FDBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCc2nccnc2C1 ZINC000596537724 552687267 /nfs/dbraw/zinc/68/72/67/552687267.db2.gz MGEWIALXLVHIPJ-UHFFFAOYSA-N 1 2 355.398 1.780 20 5 FDBDLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596783123 552709695 /nfs/dbraw/zinc/70/96/95/552709695.db2.gz AULMGBRYSFFHLO-GFCCVEGCSA-N 1 2 356.386 1.167 20 5 FDBDLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000596783123 552709696 /nfs/dbraw/zinc/70/96/96/552709696.db2.gz AULMGBRYSFFHLO-GFCCVEGCSA-N 1 2 356.386 1.167 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596833101 552715868 /nfs/dbraw/zinc/71/58/68/552715868.db2.gz WONDIUSYZUELAE-NWDGAFQWSA-N 1 2 352.391 1.834 20 5 FDBDLO COc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596833101 552715869 /nfs/dbraw/zinc/71/58/69/552715869.db2.gz WONDIUSYZUELAE-NWDGAFQWSA-N 1 2 352.391 1.834 20 5 FDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091646 552745773 /nfs/dbraw/zinc/74/57/73/552745773.db2.gz BBRUIWDTPIRVEK-JTQLQIEISA-N 1 2 370.841 1.588 20 5 FDBDLO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000597709825 552824840 /nfs/dbraw/zinc/82/48/40/552824840.db2.gz MPBJAQCTVYDGOB-LBPRGKRZSA-N 1 2 367.377 1.679 20 5 FDBDLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000597753592 552829004 /nfs/dbraw/zinc/82/90/04/552829004.db2.gz UCFZGTZNZDJEEM-LBPRGKRZSA-N 1 2 356.386 1.167 20 5 FDBDLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000597753592 552829006 /nfs/dbraw/zinc/82/90/06/552829006.db2.gz UCFZGTZNZDJEEM-LBPRGKRZSA-N 1 2 356.386 1.167 20 5 FDBDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000597859040 552841764 /nfs/dbraw/zinc/84/17/64/552841764.db2.gz QJZQGCXZMZKYMZ-GFCCVEGCSA-N 1 2 369.443 1.601 20 5 FDBDLO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000597859040 552841766 /nfs/dbraw/zinc/84/17/66/552841766.db2.gz QJZQGCXZMZKYMZ-GFCCVEGCSA-N 1 2 369.443 1.601 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597994728 552854276 /nfs/dbraw/zinc/85/42/76/552854276.db2.gz KMPWOPCSFOVEFE-MNOVXSKESA-N 1 2 357.357 1.641 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597994728 552854277 /nfs/dbraw/zinc/85/42/77/552854277.db2.gz KMPWOPCSFOVEFE-MNOVXSKESA-N 1 2 357.357 1.641 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000597994729 552854283 /nfs/dbraw/zinc/85/42/83/552854283.db2.gz KMPWOPCSFOVEFE-QWRGUYRKSA-N 1 2 357.357 1.641 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000597994729 552854284 /nfs/dbraw/zinc/85/42/84/552854284.db2.gz KMPWOPCSFOVEFE-QWRGUYRKSA-N 1 2 357.357 1.641 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597996306 552854786 /nfs/dbraw/zinc/85/47/86/552854786.db2.gz INRJIBOTBUNRFY-NEPJUHHUSA-N 1 2 365.386 1.205 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597996306 552854788 /nfs/dbraw/zinc/85/47/88/552854788.db2.gz INRJIBOTBUNRFY-NEPJUHHUSA-N 1 2 365.386 1.205 20 5 FDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1[nH+]ccn1C ZINC000598458988 552898283 /nfs/dbraw/zinc/89/82/83/552898283.db2.gz BHKFWDAFXLTXNE-SECBINFHSA-N 1 2 352.372 1.223 20 5 FDBDLO Cc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c(C)c1[N+](=O)[O-] ZINC000598606543 552914758 /nfs/dbraw/zinc/91/47/58/552914758.db2.gz GVJMAFHCVBGJRU-LBPRGKRZSA-N 1 2 350.400 1.701 20 5 FDBDLO Cn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598950018 552950585 /nfs/dbraw/zinc/95/05/85/552950585.db2.gz ZRMRACBNOZEDKB-CYBMUJFWSA-N 1 2 366.381 1.937 20 5 FDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000599131563 552971980 /nfs/dbraw/zinc/97/19/80/552971980.db2.gz QMMJIIPGGMQUOG-INIZCTEOSA-N 1 2 354.382 1.344 20 5 FDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000599131563 552971982 /nfs/dbraw/zinc/97/19/82/552971982.db2.gz QMMJIIPGGMQUOG-INIZCTEOSA-N 1 2 354.382 1.344 20 5 FDBDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000599455281 553061547 /nfs/dbraw/zinc/06/15/47/553061547.db2.gz LBGOBOBTRAMYNI-UHFFFAOYSA-N 1 2 369.443 1.470 20 5 FDBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000599536986 553082739 /nfs/dbraw/zinc/08/27/39/553082739.db2.gz BOYLBXSZMAQVEW-UHFFFAOYSA-N 1 2 355.416 1.083 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)c1 ZINC000599560006 553086616 /nfs/dbraw/zinc/08/66/16/553086616.db2.gz ZWLLQWZLJWPRRY-INIZCTEOSA-N 1 2 352.343 1.145 20 5 FDBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)c1 ZINC000599560006 553086617 /nfs/dbraw/zinc/08/66/17/553086617.db2.gz ZWLLQWZLJWPRRY-INIZCTEOSA-N 1 2 352.343 1.145 20 5 FDBDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599581546 553094604 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20 5 FDBDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000600685649 553300222 /nfs/dbraw/zinc/30/02/22/553300222.db2.gz WCYQSWMTAUAJEA-KRWDZBQOSA-N 1 2 370.409 1.929 20 5 FDBDLO O=[N+]([O-])c1cc(Br)ccc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601176399 553356489 /nfs/dbraw/zinc/35/64/89/553356489.db2.gz HHZYBXOSBGOYLP-LLVKDONJSA-N 1 2 360.208 1.462 20 5 FDBDLO CC(=O)c1cc(N2CC[NH+](CCc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000601253715 553364616 /nfs/dbraw/zinc/36/46/16/553364616.db2.gz ZEBYVRHBDKYTKX-UHFFFAOYSA-N 1 2 355.398 1.952 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000601686211 553458583 /nfs/dbraw/zinc/45/85/83/553458583.db2.gz SRLGNYHQWOMGGA-CQSZACIVSA-N 1 2 374.372 1.760 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000601686211 553458585 /nfs/dbraw/zinc/45/85/85/553458585.db2.gz SRLGNYHQWOMGGA-CQSZACIVSA-N 1 2 374.372 1.760 20 5 FDBDLO CN1CCCC[C@@H]([N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O ZINC000601968903 553496953 /nfs/dbraw/zinc/49/69/53/553496953.db2.gz IOMDOVVHCUIVDG-HZPDHXFCSA-N 1 2 360.414 1.643 20 5 FDBDLO CN1CCCC[C@@H]([N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O ZINC000601968903 553496954 /nfs/dbraw/zinc/49/69/54/553496954.db2.gz IOMDOVVHCUIVDG-HZPDHXFCSA-N 1 2 360.414 1.643 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000602756944 553631842 /nfs/dbraw/zinc/63/18/42/553631842.db2.gz BJGXKEQLNWSBHU-UHFFFAOYSA-N 1 2 372.429 1.356 20 5 FDBDLO O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)CCn2cc[nH+]c2)cc1 ZINC000603299634 553758971 /nfs/dbraw/zinc/75/89/71/553758971.db2.gz LPGSMMXWIJQDBJ-AWEZNQCLSA-N 1 2 368.440 1.869 20 5 FDBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000603576504 553802422 /nfs/dbraw/zinc/80/24/22/553802422.db2.gz UKQLMDOLXLIIKF-UHFFFAOYSA-N 1 2 357.370 1.563 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)c[nH+]2)CCO1 ZINC000603672997 553809129 /nfs/dbraw/zinc/80/91/29/553809129.db2.gz FKOORNLAABBQLY-NSHDSACASA-N 1 2 373.369 1.246 20 5 FDBDLO C[C@@H](c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1)[NH+]1CCOCC1 ZINC000609182617 554347234 /nfs/dbraw/zinc/34/72/34/554347234.db2.gz BRQPRKOIEXWOST-LBPRGKRZSA-N 1 2 360.374 1.218 20 5 FDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H](C)[NH+]1CCOCC1 ZINC000609192058 554347886 /nfs/dbraw/zinc/34/78/86/554347886.db2.gz QEVJISCVDUNCHH-VXGBXAGGSA-N 1 2 365.386 1.205 20 5 FDBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000609594594 554398406 /nfs/dbraw/zinc/39/84/06/554398406.db2.gz DGYTWBVVVQBYHJ-UHFFFAOYSA-N 1 2 359.342 1.005 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(S(=O)(=O)N(C)C)CC1 ZINC000611515169 554640392 /nfs/dbraw/zinc/64/03/92/554640392.db2.gz BFNAIXIUEPFLJQ-ZDUSSCGKSA-N 1 2 356.448 1.388 20 5 FDBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611751729 554675538 /nfs/dbraw/zinc/67/55/38/554675538.db2.gz 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COc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000287141652 183221975 /nfs/dbraw/zinc/22/19/75/183221975.db2.gz MYUJTPUPIXYULC-GXTWGEPZSA-N 1 2 364.402 1.930 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000295151397 184038607 /nfs/dbraw/zinc/03/86/07/184038607.db2.gz BRIMIDSHXHUIDT-UHFFFAOYSA-N 1 2 353.404 1.462 20 5 FDBDLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295178386 184042233 /nfs/dbraw/zinc/04/22/33/184042233.db2.gz ICPXJEZYUXSEKI-UHFFFAOYSA-N 1 2 373.822 1.807 20 5 FDBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297049165 184229755 /nfs/dbraw/zinc/22/97/55/184229755.db2.gz VFWQZANSCNHXSV-UHFFFAOYSA-N 1 2 366.381 1.529 20 5 FDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000548088923 542552429 /nfs/dbraw/zinc/55/24/29/542552429.db2.gz QVGBVJJXHGDEOH-UHFFFAOYSA-N 1 2 366.381 1.956 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H](OCCO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172303948 258273167 /nfs/dbraw/zinc/27/31/67/258273167.db2.gz ZDWUHODQMWZMHO-LBPRGKRZSA-N 1 2 357.794 1.660 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172303948 258273168 /nfs/dbraw/zinc/27/31/68/258273168.db2.gz ZDWUHODQMWZMHO-LBPRGKRZSA-N 1 2 357.794 1.660 20 5 FDBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172751788 258283961 /nfs/dbraw/zinc/28/39/61/258283961.db2.gz NRJVJTIINAAJFO-AWEZNQCLSA-N 1 2 351.428 1.620 20 5 FDBDLO CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000172749016 258283607 /nfs/dbraw/zinc/28/36/07/258283607.db2.gz XXKFOAVYHCLJGH-LBPRGKRZSA-N 1 2 355.416 1.165 20 5 FDBDLO CN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000172749016 258283608 /nfs/dbraw/zinc/28/36/08/258283608.db2.gz XXKFOAVYHCLJGH-LBPRGKRZSA-N 1 2 355.416 1.165 20 5 FDBDLO CN(CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173051974 258290392 /nfs/dbraw/zinc/29/03/92/258290392.db2.gz IXNDZURSBBGWOD-UHFFFAOYSA-N 1 2 355.398 1.775 20 5 FDBDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000549182269 542848259 /nfs/dbraw/zinc/84/82/59/542848259.db2.gz FRIBAAAFGNRPFT-GFCCVEGCSA-N 1 2 371.397 1.812 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000075643325 172093092 /nfs/dbraw/zinc/09/30/92/172093092.db2.gz VDVHHCZIFDBLAL-JKSUJKDBSA-N 1 2 366.805 1.879 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000075643325 172093094 /nfs/dbraw/zinc/09/30/94/172093094.db2.gz VDVHHCZIFDBLAL-JKSUJKDBSA-N 1 2 366.805 1.879 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000078189492 172144752 /nfs/dbraw/zinc/14/47/52/172144752.db2.gz COACNPWMKSSVJS-OAHLLOKOSA-N 1 2 363.414 1.930 20 5 FDBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000078543533 172149120 /nfs/dbraw/zinc/14/91/20/172149120.db2.gz HBLGSJXZCZJOQO-CYBMUJFWSA-N 1 2 361.446 1.535 20 5 FDBDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000101552647 172334541 /nfs/dbraw/zinc/33/45/41/172334541.db2.gz CNIIYXSKUOCZJW-OAHLLOKOSA-N 1 2 374.441 1.721 20 5 FDBDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000101552647 172334544 /nfs/dbraw/zinc/33/45/44/172334544.db2.gz CNIIYXSKUOCZJW-OAHLLOKOSA-N 1 2 374.441 1.721 20 5 FDBDLO CN(C(=O)CN1CC[NH+](Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000125344579 173002783 /nfs/dbraw/zinc/00/27/83/173002783.db2.gz ZTOZXDQWWIHWFO-UHFFFAOYSA-N 1 2 369.425 1.770 20 5 FDBDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000127413166 173076193 /nfs/dbraw/zinc/07/61/93/173076193.db2.gz XAUJGZQTKLHQOF-CQSZACIVSA-N 1 2 350.331 1.096 20 5 FDBDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000127413166 173076197 /nfs/dbraw/zinc/07/61/97/173076197.db2.gz XAUJGZQTKLHQOF-CQSZACIVSA-N 1 2 350.331 1.096 20 5 FDBDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000129917885 173154681 /nfs/dbraw/zinc/15/46/81/173154681.db2.gz CNOQHYFQZYPPHC-UHFFFAOYSA-N 1 2 365.777 1.932 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136901745 173366044 /nfs/dbraw/zinc/36/60/44/173366044.db2.gz LZRYXTHQNKIUEY-CQSZACIVSA-N 1 2 373.413 1.681 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000177354722 174123902 /nfs/dbraw/zinc/12/39/02/174123902.db2.gz PIYVEWBKSAYKRS-KRWDZBQOSA-N 1 2 367.446 1.507 20 5 FDBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181229692 174213334 /nfs/dbraw/zinc/21/33/34/174213334.db2.gz WKVSZARPXMUQPN-UHFFFAOYSA-N 1 2 357.370 1.969 20 5 FDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181413486 174224138 /nfs/dbraw/zinc/22/41/38/174224138.db2.gz IJVFASBSHAIBMZ-UHFFFAOYSA-N 1 2 359.329 1.600 20 5 FDBDLO C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173973548 258316002 /nfs/dbraw/zinc/31/60/02/258316002.db2.gz PRCCTTHMRXKPBL-CJNGLKHVSA-N 1 2 365.455 1.866 20 5 FDBDLO C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)CC1 ZINC000184356260 258380957 /nfs/dbraw/zinc/38/09/57/258380957.db2.gz HKOCSKYGSAQYOM-UHFFFAOYSA-N 1 2 362.430 1.589 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000279560347 258564775 /nfs/dbraw/zinc/56/47/75/258564775.db2.gz QAEGCZQPTFTVLT-UHFFFAOYSA-N 1 2 358.402 1.881 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000279632314 258569658 /nfs/dbraw/zinc/56/96/58/258569658.db2.gz YTJURGSEBHKKGU-CQSZACIVSA-N 1 2 350.419 1.499 20 5 FDBDLO C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1nncn1C ZINC000553535642 543653919 /nfs/dbraw/zinc/65/39/19/543653919.db2.gz NGKINSPEBVCOQB-ZDUSSCGKSA-N 1 2 360.418 1.771 20 5 FDBDLO Cc1nc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000301621688 259030621 /nfs/dbraw/zinc/03/06/21/259030621.db2.gz FKZDBKICLMQLOK-UHFFFAOYSA-N 1 2 370.413 1.844 20 5 FDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301773624 259033023 /nfs/dbraw/zinc/03/30/23/259033023.db2.gz MIGHYSFAGQQILT-LLVKDONJSA-N 1 2 363.399 1.328 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3(O)CCCC3)CC2)c1 ZINC000330587415 259152221 /nfs/dbraw/zinc/15/22/21/259152221.db2.gz OEDBOAYNLLAUKO-UHFFFAOYSA-N 1 2 369.443 1.206 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000331263799 259183804 /nfs/dbraw/zinc/18/38/04/259183804.db2.gz ABTFKIMAHVGATM-CYBMUJFWSA-N 1 2 371.459 1.369 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000331263799 259183805 /nfs/dbraw/zinc/18/38/05/259183805.db2.gz ABTFKIMAHVGATM-CYBMUJFWSA-N 1 2 371.459 1.369 20 5 FDBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000361379671 259459876 /nfs/dbraw/zinc/45/98/76/259459876.db2.gz TUVYSHDLNLKMOZ-NADMHLTPSA-N 1 2 372.425 1.421 20 5 FDBDLO CCOC(=O)C1(F)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000367246042 260015533 /nfs/dbraw/zinc/01/55/33/260015533.db2.gz IQJKTYFUSJPLSG-UHFFFAOYSA-N 1 2 362.317 1.508 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000367559897 260061224 /nfs/dbraw/zinc/06/12/24/260061224.db2.gz QVBYUKHZSITGEQ-MLGOLLRUSA-N 1 2 373.369 1.087 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368782091 260235950 /nfs/dbraw/zinc/23/59/50/260235950.db2.gz PUOILUJDYKAZTE-CHWSQXEVSA-N 1 2 361.402 1.411 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368782091 260235951 /nfs/dbraw/zinc/23/59/51/260235951.db2.gz PUOILUJDYKAZTE-CHWSQXEVSA-N 1 2 361.402 1.411 20 5 FDBDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)O1 ZINC000369054124 260286601 /nfs/dbraw/zinc/28/66/01/260286601.db2.gz YADVMXVVQPLHRS-MRXNPFEDSA-N 1 2 359.342 1.719 20 5 FDBDLO O=C1NC[C@@]2(CCC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)O1 ZINC000369054124 260286602 /nfs/dbraw/zinc/28/66/02/260286602.db2.gz YADVMXVVQPLHRS-MRXNPFEDSA-N 1 2 359.342 1.719 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371317476 260690611 /nfs/dbraw/zinc/69/06/11/260690611.db2.gz CFCOFVGABRRXMS-NSHDSACASA-N 1 2 366.399 1.515 20 5 FDBDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000371846135 260777131 /nfs/dbraw/zinc/77/71/31/260777131.db2.gz MOEZLSXFWNXXBP-LBPRGKRZSA-N 1 2 350.400 1.956 20 5 FDBDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@]2(CCOC2)O1 ZINC000373796600 261041390 /nfs/dbraw/zinc/04/13/90/261041390.db2.gz KDOBUXKHYLJYRX-RPVQJOFSSA-N 1 2 361.398 1.580 20 5 FDBDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@]2(CCOC2)O1 ZINC000373796600 261041391 /nfs/dbraw/zinc/04/13/91/261041391.db2.gz KDOBUXKHYLJYRX-RPVQJOFSSA-N 1 2 361.398 1.580 20 5 FDBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374352644 261116903 /nfs/dbraw/zinc/11/69/03/261116903.db2.gz SCXQCRIJGZMBDP-ZDUSSCGKSA-N 1 2 356.338 1.505 20 5 FDBDLO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000374777871 261194753 /nfs/dbraw/zinc/19/47/53/261194753.db2.gz IWTITSWLKDYLJT-JTQLQIEISA-N 1 2 364.383 1.009 20 5 FDBDLO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000374777871 261194754 /nfs/dbraw/zinc/19/47/54/261194754.db2.gz IWTITSWLKDYLJT-JTQLQIEISA-N 1 2 364.383 1.009 20 5 FDBDLO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374816310 261202618 /nfs/dbraw/zinc/20/26/18/261202618.db2.gz RSLIBURGMFHLCW-UHFFFAOYSA-N 1 2 364.427 1.296 20 5 FDBDLO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374816310 261202620 /nfs/dbraw/zinc/20/26/20/261202620.db2.gz RSLIBURGMFHLCW-UHFFFAOYSA-N 1 2 364.427 1.296 20 5 FDBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000609428094 492208101 /nfs/dbraw/zinc/20/81/01/492208101.db2.gz BEKKEBTZLMIBDI-UHFFFAOYSA-N 1 2 359.386 1.305 20 5 FDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCc1cn2ccccc2[nH+]1 ZINC000012668078 518626102 /nfs/dbraw/zinc/62/61/02/518626102.db2.gz CXXDLQKSPACJMQ-UHFFFAOYSA-N 1 2 367.365 1.331 20 5 FDBDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000016482954 518759109 /nfs/dbraw/zinc/75/91/09/518759109.db2.gz XWNGNGGKAQKIKK-LBPRGKRZSA-N 1 2 365.386 1.817 20 5 FDBDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000016482954 518759116 /nfs/dbraw/zinc/75/91/16/518759116.db2.gz XWNGNGGKAQKIKK-LBPRGKRZSA-N 1 2 365.386 1.817 20 5 FDBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000023618868 518959264 /nfs/dbraw/zinc/95/92/64/518959264.db2.gz ODMZTBOBDJTJLZ-UHFFFAOYSA-N 1 2 357.349 1.737 20 5 FDBDLO Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026483128 519124298 /nfs/dbraw/zinc/12/42/98/519124298.db2.gz 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O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000058354525 522249846 /nfs/dbraw/zinc/24/98/46/522249846.db2.gz XRORQROHJZTOSS-UHFFFAOYSA-N 1 2 359.390 1.278 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046802206 522355582 /nfs/dbraw/zinc/35/55/82/522355582.db2.gz AFLHIIQZRGGJCX-UPJWGTAASA-N 1 2 371.459 1.679 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046802206 522355589 /nfs/dbraw/zinc/35/55/89/522355589.db2.gz AFLHIIQZRGGJCX-UPJWGTAASA-N 1 2 371.459 1.679 20 5 FDBDLO NC(=O)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000047274408 522486506 /nfs/dbraw/zinc/48/65/06/522486506.db2.gz LAUJZCWXMVPTAN-UHFFFAOYSA-N 1 2 354.794 1.917 20 5 FDBDLO NC(=O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000047274408 522486513 /nfs/dbraw/zinc/48/65/13/522486513.db2.gz LAUJZCWXMVPTAN-UHFFFAOYSA-N 1 2 354.794 1.917 20 5 FDBDLO CS(=O)(=O)c1cc(C(=O)NCCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 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ZINC000537100085 540685758 /nfs/dbraw/zinc/68/57/58/540685758.db2.gz CYVWKNXQKHDTOQ-LLVKDONJSA-N 1 2 367.431 1.429 20 5 FDBDLO C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275424481 181314728 /nfs/dbraw/zinc/31/47/28/181314728.db2.gz DJGIWEBLBRULSF-LBPRGKRZSA-N 1 2 371.459 1.280 20 5 FDBDLO C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275424481 181314730 /nfs/dbraw/zinc/31/47/30/181314730.db2.gz DJGIWEBLBRULSF-LBPRGKRZSA-N 1 2 371.459 1.280 20 5 FDBDLO COc1ccc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000545159363 541884604 /nfs/dbraw/zinc/88/46/04/541884604.db2.gz HFLWONBDGIACKK-UHFFFAOYSA-N 1 2 355.416 1.534 20 5 FDBDLO COc1ccc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000545159363 541884611 /nfs/dbraw/zinc/88/46/11/541884611.db2.gz HFLWONBDGIACKK-UHFFFAOYSA-N 1 2 355.416 1.534 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000283897070 182308133 /nfs/dbraw/zinc/30/81/33/182308133.db2.gz CWNUYKUJFLVKMX-DLBZAZTESA-N 1 2 360.414 1.714 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000283897070 182308136 /nfs/dbraw/zinc/30/81/36/182308136.db2.gz CWNUYKUJFLVKMX-DLBZAZTESA-N 1 2 360.414 1.714 20 5 FDBDLO Cc1cccc(CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[nH+]1 ZINC000286614642 183110033 /nfs/dbraw/zinc/11/00/33/183110033.db2.gz QNHCMUMOPBNPHM-UHFFFAOYSA-N 1 2 350.400 1.990 20 5 FDBDLO Cn1cc[nH+]c1CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000286798634 183147949 /nfs/dbraw/zinc/14/79/49/183147949.db2.gz KGRSPPDNQQKVOK-UHFFFAOYSA-N 1 2 357.370 1.136 20 5 FDBDLO COC(=O)N1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(C)n3)c[nH+]2)CC1 ZINC000294890276 184017051 /nfs/dbraw/zinc/01/70/51/184017051.db2.gz GYNWIJMSLYLBMP-UHFFFAOYSA-N 1 2 373.373 1.720 20 5 FDBDLO CC[C@@H](CO)[NH+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000294798646 184009480 /nfs/dbraw/zinc/00/94/80/184009480.db2.gz BZHTWHAGGKXTHK-HNNXBMFYSA-N 1 2 363.414 1.473 20 5 FDBDLO CS(=O)(=O)c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294993163 184025451 /nfs/dbraw/zinc/02/54/51/184025451.db2.gz QQRHJICDKXQBMZ-LBPRGKRZSA-N 1 2 357.432 1.257 20 5 FDBDLO CS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294993163 184025453 /nfs/dbraw/zinc/02/54/53/184025453.db2.gz QQRHJICDKXQBMZ-LBPRGKRZSA-N 1 2 357.432 1.257 20 5 FDBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000295213285 184046318 /nfs/dbraw/zinc/04/63/18/184046318.db2.gz AGOMFFYMCPVMCD-LBPRGKRZSA-N 1 2 357.432 1.708 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295146315 184038056 /nfs/dbraw/zinc/03/80/56/184038056.db2.gz FJZQMIZYLYOYBJ-LLVKDONJSA-N 1 2 361.358 1.398 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295146315 184038058 /nfs/dbraw/zinc/03/80/58/184038058.db2.gz FJZQMIZYLYOYBJ-LLVKDONJSA-N 1 2 361.358 1.398 20 5 FDBDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000295151441 184039334 /nfs/dbraw/zinc/03/93/34/184039334.db2.gz BSPOAOCXPQYXRM-ZIAGYGMSSA-N 1 2 363.414 1.471 20 5 FDBDLO C[C@@H](O)C[N@H+]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000295151441 184039335 /nfs/dbraw/zinc/03/93/35/184039335.db2.gz BSPOAOCXPQYXRM-ZIAGYGMSSA-N 1 2 363.414 1.471 20 5 FDBDLO CCOC(=O)COCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295824971 184107264 /nfs/dbraw/zinc/10/72/64/184107264.db2.gz YKSZKOORVAFPNK-UHFFFAOYSA-N 1 2 362.342 1.090 20 5 FDBDLO COC(=O)Cc1ccc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000297094786 184234179 /nfs/dbraw/zinc/23/41/79/184234179.db2.gz KVNGVVAHDKILPA-CHWSQXEVSA-N 1 2 351.403 1.831 20 5 FDBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548387087 542653227 /nfs/dbraw/zinc/65/32/27/542653227.db2.gz SKAAUYRFQWRIOQ-UHFFFAOYSA-N 1 2 358.358 1.364 20 5 FDBDLO Cc1c(CNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000550436537 543101528 /nfs/dbraw/zinc/10/15/28/543101528.db2.gz DSLXPMLFBQITIO-UHFFFAOYSA-N 1 2 367.365 1.484 20 5 FDBDLO C[C@H]1CN(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000552046625 543410886 /nfs/dbraw/zinc/41/08/86/543410886.db2.gz MOUSVTGABYDZIT-YOEHRIQHSA-N 1 2 359.430 1.728 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000552168822 543429425 /nfs/dbraw/zinc/42/94/25/543429425.db2.gz RXSPRUCFYVULKB-LLVKDONJSA-N 1 2 353.350 1.349 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000552168822 543429428 /nfs/dbraw/zinc/42/94/28/543429428.db2.gz RXSPRUCFYVULKB-LLVKDONJSA-N 1 2 353.350 1.349 20 5 FDBDLO CN(CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000080945571 172179151 /nfs/dbraw/zinc/17/91/51/172179151.db2.gz XKVSVOLDCLRIMR-OAHLLOKOSA-N 1 2 362.430 1.354 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000097549176 172330043 /nfs/dbraw/zinc/33/00/43/172330043.db2.gz KYKXVOAPXVKJEN-OAHLLOKOSA-N 1 2 371.397 1.558 20 5 FDBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCc1cn2ccccc2[nH+]1 ZINC000127645288 173085893 /nfs/dbraw/zinc/08/58/93/173085893.db2.gz FBSHFVRFVHQNBC-UHFFFAOYSA-N 1 2 361.383 1.545 20 5 FDBDLO O=C(C[N@@H+](CCO)Cc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000129696062 173148029 /nfs/dbraw/zinc/14/80/29/173148029.db2.gz CUIXEBRZAWUTCE-UHFFFAOYSA-N 1 2 356.382 1.373 20 5 FDBDLO O=C(C[N@H+](CCO)Cc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000129696062 173148030 /nfs/dbraw/zinc/14/80/30/173148030.db2.gz CUIXEBRZAWUTCE-UHFFFAOYSA-N 1 2 356.382 1.373 20 5 FDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000133359799 173262605 /nfs/dbraw/zinc/26/26/05/173262605.db2.gz GNBPWEYDQIIQRN-UHFFFAOYSA-N 1 2 373.417 1.676 20 5 FDBDLO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000133882549 173314054 /nfs/dbraw/zinc/31/40/54/173314054.db2.gz YGZMEBLTEITREA-LLVKDONJSA-N 1 2 353.342 1.778 20 5 FDBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000134350099 173323971 /nfs/dbraw/zinc/32/39/71/173323971.db2.gz CRPMSKIPWVGZJX-GFCCVEGCSA-N 1 2 368.415 1.638 20 5 FDBDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000134350099 173323973 /nfs/dbraw/zinc/32/39/73/173323973.db2.gz CRPMSKIPWVGZJX-GFCCVEGCSA-N 1 2 368.415 1.638 20 5 FDBDLO NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177705116 174152702 /nfs/dbraw/zinc/15/27/02/174152702.db2.gz ZYVDABBSKUJJMR-STQMWFEESA-N 1 2 357.370 1.554 20 5 FDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178072339 174169587 /nfs/dbraw/zinc/16/95/87/174169587.db2.gz OXTTWMPLYWNLDD-LBPRGKRZSA-N 1 2 359.386 1.265 20 5 FDBDLO Cn1c(Cl)cnc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179873746 258359034 /nfs/dbraw/zinc/35/90/34/258359034.db2.gz MTAMBXFXWCLSTL-LBPRGKRZSA-N 1 2 354.794 1.853 20 5 FDBDLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000179873746 258359035 /nfs/dbraw/zinc/35/90/35/258359035.db2.gz MTAMBXFXWCLSTL-LBPRGKRZSA-N 1 2 354.794 1.853 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173542311 258302266 /nfs/dbraw/zinc/30/22/66/258302266.db2.gz CWAFWGNROBCFJE-CQSZACIVSA-N 1 2 369.443 1.246 20 5 FDBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000178779961 258335437 /nfs/dbraw/zinc/33/54/37/258335437.db2.gz ITPUORQHXYDBDH-LLVKDONJSA-N 1 2 369.219 1.087 20 5 FDBDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)O1 ZINC000184616917 258382436 /nfs/dbraw/zinc/38/24/36/258382436.db2.gz YTDRIZRWWDRLLM-VXGBXAGGSA-N 1 2 351.403 1.918 20 5 FDBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280688657 258615922 /nfs/dbraw/zinc/61/59/22/258615922.db2.gz QYPBWIAEWCISFY-NSHDSACASA-N 1 2 372.828 1.682 20 5 FDBDLO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280959603 258632540 /nfs/dbraw/zinc/63/25/40/258632540.db2.gz JMGUXKASOIEVBV-UHFFFAOYSA-N 1 2 351.403 1.873 20 5 FDBDLO CC(C)(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])OCCO ZINC000554682251 543851601 /nfs/dbraw/zinc/85/16/01/543851601.db2.gz BHZMPPXFEOSBFN-UHFFFAOYSA-N 1 2 353.419 1.626 20 5 FDBDLO O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000557438478 544291798 /nfs/dbraw/zinc/29/17/98/544291798.db2.gz PFTQZLMOPUYEHY-CQSZACIVSA-N 1 2 355.398 1.703 20 5 FDBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000558022943 544374097 /nfs/dbraw/zinc/37/40/97/544374097.db2.gz SAEQUHWJYGBVSR-CYBMUJFWSA-N 1 2 364.450 1.253 20 5 FDBDLO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1noc(-c2ccccc2)n1 ZINC000558409861 544423047 /nfs/dbraw/zinc/42/30/47/544423047.db2.gz YGSPLMKBLSSCBZ-SMDDNHRTSA-N 1 2 358.358 1.553 20 5 FDBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301809939 259033970 /nfs/dbraw/zinc/03/39/70/259033970.db2.gz XCCNHAFMNANIQL-ZDUSSCGKSA-N 1 2 366.393 1.103 20 5 FDBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nc1 ZINC000302857767 259046713 /nfs/dbraw/zinc/04/67/13/259046713.db2.gz SSFSCIXNJBWLGI-ZDUSSCGKSA-N 1 2 371.401 1.307 20 5 FDBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nc1 ZINC000302857767 259046714 /nfs/dbraw/zinc/04/67/14/259046714.db2.gz SSFSCIXNJBWLGI-ZDUSSCGKSA-N 1 2 371.401 1.307 20 5 FDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000330561189 259150341 /nfs/dbraw/zinc/15/03/41/259150341.db2.gz SPCVGFLVBPGKFD-NWDGAFQWSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000330561189 259150342 /nfs/dbraw/zinc/15/03/42/259150342.db2.gz SPCVGFLVBPGKFD-NWDGAFQWSA-N 1 2 357.432 1.707 20 5 FDBDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332049889 259237128 /nfs/dbraw/zinc/23/71/28/259237128.db2.gz NGEKLXDWLOXLBC-VWLOTQADSA-N 1 2 367.427 1.736 20 5 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O=C(C[N@@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000286112961 675874252 /nfs/dbraw/zinc/87/42/52/675874252.db2.gz LURPRHOOWLWQMZ-UHFFFAOYSA-N 1 2 350.394 1.868 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000331518164 676730713 /nfs/dbraw/zinc/73/07/13/676730713.db2.gz PTRVDLWQKGYUTA-CQSZACIVSA-N 1 2 369.443 1.246 20 5 FDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363888261 676977382 /nfs/dbraw/zinc/97/73/82/676977382.db2.gz PMJSNNRITAPWBD-UHFFFAOYSA-N 1 2 362.415 1.423 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000364836466 677054984 /nfs/dbraw/zinc/05/49/84/677054984.db2.gz BNACBBZEWCGSHM-QLJPJBMISA-N 1 2 366.805 1.787 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000364836466 677054985 /nfs/dbraw/zinc/05/49/85/677054985.db2.gz BNACBBZEWCGSHM-QLJPJBMISA-N 1 2 366.805 1.787 20 5 FDBDLO CCOc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365191974 677354771 /nfs/dbraw/zinc/35/47/71/677354771.db2.gz UVAUDRVZELIBEV-AWEZNQCLSA-N 1 2 369.443 1.650 20 5 FDBDLO CCOc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)ccc1[N+](=O)[O-] ZINC000365191974 677354773 /nfs/dbraw/zinc/35/47/73/677354773.db2.gz UVAUDRVZELIBEV-AWEZNQCLSA-N 1 2 369.443 1.650 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366529329 677448655 /nfs/dbraw/zinc/44/86/55/677448655.db2.gz PRJAVXDJSSZSSJ-ZDUSSCGKSA-N 1 2 350.375 1.588 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366529329 677448656 /nfs/dbraw/zinc/44/86/56/677448656.db2.gz PRJAVXDJSSZSSJ-ZDUSSCGKSA-N 1 2 350.375 1.588 20 5 FDBDLO COc1cc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)ccc1[N+](=O)[O-] ZINC000370573172 677593340 /nfs/dbraw/zinc/59/33/40/677593340.db2.gz AEVMKFKFYOJBFE-KRWDZBQOSA-N 1 2 351.403 1.897 20 5 FDBDLO CSc1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000372377474 677906301 /nfs/dbraw/zinc/90/63/01/677906301.db2.gz NDMNRSLIYVLWRI-LBPRGKRZSA-N 1 2 351.428 1.863 20 5 FDBDLO Cc1sc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1[N+](=O)[O-] ZINC000376503857 678321410 /nfs/dbraw/zinc/32/14/10/678321410.db2.gz DQJKYCWNCRCVLV-UHFFFAOYSA-N 1 2 366.443 1.343 20 5 FDBDLO Cc1sc(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1[N+](=O)[O-] ZINC000376503857 678321415 /nfs/dbraw/zinc/32/14/15/678321415.db2.gz DQJKYCWNCRCVLV-UHFFFAOYSA-N 1 2 366.443 1.343 20 5 FDBDLO O=C1NCCCC[C@H]1[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000378041460 678678542 /nfs/dbraw/zinc/67/85/42/678678542.db2.gz GPIWSLDCWNSALD-LLVKDONJSA-N 1 2 364.431 1.095 20 5 FDBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CCC2 ZINC000378233478 678722937 /nfs/dbraw/zinc/72/29/37/678722937.db2.gz OOLWHKNHFPCYBP-LLVKDONJSA-N 1 2 365.415 1.737 20 5 FDBDLO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411937065 679101889 /nfs/dbraw/zinc/10/18/89/679101889.db2.gz GFRPOASVLBWSRA-SNVBAGLBSA-N 1 2 354.794 1.597 20 5 FDBDLO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411937065 679101891 /nfs/dbraw/zinc/10/18/91/679101891.db2.gz GFRPOASVLBWSRA-SNVBAGLBSA-N 1 2 354.794 1.597 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413177322 679243502 /nfs/dbraw/zinc/24/35/02/679243502.db2.gz LRGODMVEUOBRBT-NSHDSACASA-N 1 2 364.324 1.138 20 5 FDBDLO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@H+](C)C1 ZINC000413506533 679275129 /nfs/dbraw/zinc/27/51/29/679275129.db2.gz VVSJKZDTWJVHST-VIFPVBQESA-N 1 2 373.207 1.293 20 5 FDBDLO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[N@@H+](C)C1 ZINC000413506533 679275130 /nfs/dbraw/zinc/27/51/30/679275130.db2.gz VVSJKZDTWJVHST-VIFPVBQESA-N 1 2 373.207 1.293 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414045524 679328493 /nfs/dbraw/zinc/32/84/93/679328493.db2.gz WSHICSVUKDMPRY-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000425389210 680896805 /nfs/dbraw/zinc/89/68/05/680896805.db2.gz YFZKTQQTFXTVTE-MRXNPFEDSA-N 1 2 369.443 1.326 20 5 FDBDLO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436985268 681751332 /nfs/dbraw/zinc/75/13/32/681751332.db2.gz OAJCOSSNQQPRDL-UHFFFAOYSA-N 1 2 351.403 1.920 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])n1 ZINC000443957382 682366374 /nfs/dbraw/zinc/36/63/74/682366374.db2.gz IXBVSMGTRDOEQC-LLVKDONJSA-N 1 2 368.419 1.113 20 5 FDBDLO CS(=O)(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450614888 682770684 /nfs/dbraw/zinc/77/06/84/682770684.db2.gz NMWUVUPQFKADED-LBPRGKRZSA-N 1 2 357.432 1.257 20 5 FDBDLO CS(=O)(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450614888 682770686 /nfs/dbraw/zinc/77/06/86/682770686.db2.gz NMWUVUPQFKADED-LBPRGKRZSA-N 1 2 357.432 1.257 20 5 FDBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000451929227 682970710 /nfs/dbraw/zinc/97/07/10/682970710.db2.gz GZEZJZUTNIPFIN-GFCCVEGCSA-N 1 2 357.432 1.708 20 5 FDBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000451929227 682970711 /nfs/dbraw/zinc/97/07/11/682970711.db2.gz GZEZJZUTNIPFIN-GFCCVEGCSA-N 1 2 357.432 1.708 20 5 FDBDLO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000461193378 684567556 /nfs/dbraw/zinc/56/75/56/684567556.db2.gz LALWSHUOYYFQOO-UHFFFAOYSA-N 1 2 363.761 1.217 20 5 FDBDLO CCOc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000469206234 684954781 /nfs/dbraw/zinc/95/47/81/684954781.db2.gz PQVCMGJUWQVTGL-CYBMUJFWSA-N 1 2 351.403 1.786 20 5 FDBDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H]1C ZINC000470008666 684998930 /nfs/dbraw/zinc/99/89/30/684998930.db2.gz MDBPDRLXLCZZRQ-JQWIXIFHSA-N 1 2 351.359 1.425 20 5 FDBDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H]1C ZINC000470008666 684998931 /nfs/dbraw/zinc/99/89/31/684998931.db2.gz MDBPDRLXLCZZRQ-JQWIXIFHSA-N 1 2 351.359 1.425 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000483311767 686490469 /nfs/dbraw/zinc/49/04/69/686490469.db2.gz SYOSMCPESNKYEL-SMDDNHRTSA-N 1 2 353.375 1.014 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000483311767 686490472 /nfs/dbraw/zinc/49/04/72/686490472.db2.gz SYOSMCPESNKYEL-SMDDNHRTSA-N 1 2 353.375 1.014 20 5 FDBDLO COCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000489965121 687124054 /nfs/dbraw/zinc/12/40/54/687124054.db2.gz LBIHOYFMQOTKSU-AWEZNQCLSA-N 1 2 372.443 1.629 20 5 FDBDLO COCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000489965121 687124056 /nfs/dbraw/zinc/12/40/56/687124056.db2.gz LBIHOYFMQOTKSU-AWEZNQCLSA-N 1 2 372.443 1.629 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000491939285 687156972 /nfs/dbraw/zinc/15/69/72/687156972.db2.gz VYMHSRHHUWIGKG-SNVBAGLBSA-N 1 2 352.372 1.093 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000492022455 687157223 /nfs/dbraw/zinc/15/72/23/687157223.db2.gz IPEFLJOWZWZVFP-SECBINFHSA-N 1 2 356.791 1.738 20 5 FDBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000503638055 688373626 /nfs/dbraw/zinc/37/36/26/688373626.db2.gz REXPYOTZEFSTQV-CQSZACIVSA-N 1 2 364.471 1.827 20 5 FDBDLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C[N@@H+]1C ZINC000507907888 688689579 /nfs/dbraw/zinc/68/95/79/688689579.db2.gz IQFKKBGTODLWCC-MNOVXSKESA-N 1 2 371.415 1.079 20 5 FDBDLO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)C[N@H+]1C ZINC000507907888 688689581 /nfs/dbraw/zinc/68/95/81/688689581.db2.gz IQFKKBGTODLWCC-MNOVXSKESA-N 1 2 371.415 1.079 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@]2(CCOC2)C1 ZINC000187160613 769956452 /nfs/dbraw/zinc/95/64/52/769956452.db2.gz ZRNCHVDDCKCBOE-QGZVFWFLSA-N 1 2 358.354 1.412 20 5 FDBDLO Cc1ccc(-c2noc(C[NH2+][C@H]3C[C@@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)n2)cc1 ZINC001022063487 777703130 /nfs/dbraw/zinc/70/31/30/777703130.db2.gz CBCONDUXDNRIEE-LXTVHRRPSA-N 1 2 371.397 1.447 20 5 FDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000364685878 785137792 /nfs/dbraw/zinc/13/77/92/785137792.db2.gz MUXKTSXCUMMTAQ-OAHLLOKOSA-N 1 2 371.397 1.203 20 5 FDBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000364685878 785137802 /nfs/dbraw/zinc/13/78/02/785137802.db2.gz MUXKTSXCUMMTAQ-OAHLLOKOSA-N 1 2 371.397 1.203 20 5 FDBDLO CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000414022499 786632491 /nfs/dbraw/zinc/63/24/91/786632491.db2.gz UEAYQDIANBGWEX-CQSZACIVSA-N 1 2 371.397 1.910 20 5 FDBDLO CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)(C)C[NH+]1CCOCC1 ZINC000414037148 786696557 /nfs/dbraw/zinc/69/65/57/786696557.db2.gz FWBMYMQIDGGDPL-UHFFFAOYSA-N 1 2 365.386 1.506 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000376220493 786842856 /nfs/dbraw/zinc/84/28/56/786842856.db2.gz JMPHIVFODIPDGO-SJORKVTESA-N 1 2 372.381 1.801 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775931 792012743 /nfs/dbraw/zinc/01/27/43/792012743.db2.gz RORGDWUKVASFSD-AMVBZWJASA-N 1 2 353.781 1.691 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775931 792012755 /nfs/dbraw/zinc/01/27/55/792012755.db2.gz RORGDWUKVASFSD-AMVBZWJASA-N 1 2 353.781 1.691 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776393 792014402 /nfs/dbraw/zinc/01/44/02/792014402.db2.gz BCLZVFMOWSBFEX-STKZKQKTSA-N 1 2 360.345 1.179 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4o3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776393 792014417 /nfs/dbraw/zinc/01/44/17/792014417.db2.gz BCLZVFMOWSBFEX-STKZKQKTSA-N 1 2 360.345 1.179 20 5 FDBDLO Cc1c(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000365714956 792856936 /nfs/dbraw/zinc/85/69/36/792856936.db2.gz JOKNTHJSDICVNG-UHFFFAOYSA-N 1 2 359.386 1.684 20 5 FDBDLO COc1c(O)ccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894110952 810096494 /nfs/dbraw/zinc/09/64/94/810096494.db2.gz VKRBYRAUKZNACW-BETUJISGSA-N 1 2 353.419 1.850 20 5 FDBDLO COc1c(O)ccc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894110952 810096498 /nfs/dbraw/zinc/09/64/98/810096498.db2.gz VKRBYRAUKZNACW-BETUJISGSA-N 1 2 353.419 1.850 20 5 FDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366471614 812243492 /nfs/dbraw/zinc/24/34/92/812243492.db2.gz BKBOZOVTRMBNFB-CYBMUJFWSA-N 1 2 364.358 1.358 20 5 FDBDLO COc1cc(OCC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000367083378 814315181 /nfs/dbraw/zinc/31/51/81/814315181.db2.gz FQRCTAIJQCJFAF-HNNXBMFYSA-N 1 2 372.381 1.550 20 5 FDBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425552063 816526221 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1.509 20 5 FDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000874705412 990466985 /nfs/dbraw/zinc/46/69/85/990466985.db2.gz DGNSCMIIDNTBFV-AWEZNQCLSA-N 1 2 351.403 1.509 20 5 FDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371972459 990867245 /nfs/dbraw/zinc/86/72/45/990867245.db2.gz FCQHRBMEUYHSSR-HNNXBMFYSA-N 1 2 362.430 1.541 20 5 FDBDLO CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371972459 990867251 /nfs/dbraw/zinc/86/72/51/990867251.db2.gz FCQHRBMEUYHSSR-HNNXBMFYSA-N 1 2 362.430 1.541 20 5 FDBDLO Cc1cc(OCC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000374361768 992790494 /nfs/dbraw/zinc/79/04/94/992790494.db2.gz XLFHPIQNBXKLDW-INIZCTEOSA-N 1 2 356.382 1.850 20 5 FDBDLO O=[N+]([O-])c1cnn(C2CC(Nc3cccc(CN4CCOCC4)[nH+]3)C2)c1 ZINC000877128013 993061983 /nfs/dbraw/zinc/06/19/83/993061983.db2.gz PDRHLZLTBQXJCU-UHFFFAOYSA-N 1 2 358.402 1.834 20 5 FDBDLO 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CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000283619971 182232328 /nfs/dbraw/zinc/23/23/28/182232328.db2.gz AQQWGAOXZWOSRX-UHFFFAOYSA-N 1 2 351.403 1.834 20 5 FDBDLO Cn1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283733984 182262150 /nfs/dbraw/zinc/26/21/50/182262150.db2.gz CNWABXDQBUIXRM-UHFFFAOYSA-N 1 2 352.372 1.272 20 5 FDBDLO CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000296582879 184180537 /nfs/dbraw/zinc/18/05/37/184180537.db2.gz RIKSYPPODPVZPV-CYBMUJFWSA-N 1 2 357.432 1.062 20 5 FDBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298011778 184374892 /nfs/dbraw/zinc/37/48/92/184374892.db2.gz CLQMHJJXXJRWLP-GASCZTMLSA-N 1 2 361.446 1.901 20 5 FDBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000172822040 258285972 /nfs/dbraw/zinc/28/59/72/258285972.db2.gz HYRJTPHWLRWTQZ-UHFFFAOYSA-N 1 2 350.419 1.594 20 5 FDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000173209829 258293906 /nfs/dbraw/zinc/29/39/06/258293906.db2.gz RIRIAEMORFIVSY-KRWDZBQOSA-N 1 2 365.455 1.461 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000025373593 171876110 /nfs/dbraw/zinc/87/61/10/171876110.db2.gz JOESJTLZLBZWOR-HNNXBMFYSA-N 1 2 371.459 1.538 20 5 FDBDLO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379056 172010076 /nfs/dbraw/zinc/01/00/76/172010076.db2.gz XTQMJHMQGKJYBS-WMLDXEAASA-N 1 2 374.441 1.937 20 5 FDBDLO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067379056 172010079 /nfs/dbraw/zinc/01/00/79/172010079.db2.gz XTQMJHMQGKJYBS-WMLDXEAASA-N 1 2 374.441 1.937 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069970674 172035289 /nfs/dbraw/zinc/03/52/89/172035289.db2.gz JNWCFBDWMRDQQB-CYBMUJFWSA-N 1 2 365.434 1.455 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069970674 172035292 /nfs/dbraw/zinc/03/52/92/172035292.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000175465149 174007655 /nfs/dbraw/zinc/00/76/55/174007655.db2.gz FVAZQBYVWXRQGU-UHFFFAOYSA-N 1 2 373.406 1.219 20 5 FDBDLO O=C(Cc1ccccc1F)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176218811 174058672 /nfs/dbraw/zinc/05/86/72/174058672.db2.gz YDMWQNZXUYXSQG-UHFFFAOYSA-N 1 2 361.377 1.317 20 5 FDBDLO Nc1c(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000178151311 174174958 /nfs/dbraw/zinc/17/49/58/174174958.db2.gz XYSSEKHPNRFKLB-MRXNPFEDSA-N 1 2 370.409 1.980 20 5 FDBDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000181177891 174210272 /nfs/dbraw/zinc/21/02/72/174210272.db2.gz XGHAAHDFDOQIAT-LBPRGKRZSA-N 1 2 361.377 1.986 20 5 FDBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179381780 258349613 /nfs/dbraw/zinc/34/96/13/258349613.db2.gz QDHIRRDULKRFCA-CYBMUJFWSA-N 1 2 350.444 1.436 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173540193 258302073 /nfs/dbraw/zinc/30/20/73/258302073.db2.gz YPJDKXUDQIGBPN-AWEZNQCLSA-N 1 2 369.443 1.246 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000174197317 258320970 /nfs/dbraw/zinc/32/09/70/258320970.db2.gz ZZXGSTMISYDDSL-LBPRGKRZSA-N 1 2 351.407 1.065 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000174197317 258320971 /nfs/dbraw/zinc/32/09/71/258320971.db2.gz ZZXGSTMISYDDSL-LBPRGKRZSA-N 1 2 351.407 1.065 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000178930939 258340011 /nfs/dbraw/zinc/34/00/11/258340011.db2.gz KVKKUKUNGJPWKR-HNNXBMFYSA-N 1 2 367.427 1.953 20 5 FDBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000280394620 258597704 /nfs/dbraw/zinc/59/77/04/258597704.db2.gz XEYUKCOEUXENSB-SJKOYZFVSA-N 1 2 352.387 1.992 20 5 FDBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC ZINC000280394620 258597705 /nfs/dbraw/zinc/59/77/05/258597705.db2.gz XEYUKCOEUXENSB-SJKOYZFVSA-N 1 2 352.387 1.992 20 5 FDBDLO Cn1c(Cl)cnc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281738375 258677385 /nfs/dbraw/zinc/67/73/85/258677385.db2.gz QGALHXJOMRMTSV-UHFFFAOYSA-N 1 2 373.822 1.050 20 5 FDBDLO CNc1nccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000557450007 544293346 /nfs/dbraw/zinc/29/33/46/544293346.db2.gz ZKRSQEFOCDWUDZ-UHFFFAOYSA-N 1 2 369.425 2.298 20 5 FDBDLO COC(=O)c1cc(C)nc(NC[C@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000559589718 544734934 /nfs/dbraw/zinc/73/49/34/544734934.db2.gz NPVBEFDXHNVKOD-CQSZACIVSA-N 1 2 366.418 1.854 20 5 FDBDLO CN(Cc1[nH+]ccn1C)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000301087717 259020716 /nfs/dbraw/zinc/02/07/16/259020716.db2.gz YEKWVLVNSRUMHT-UHFFFAOYSA-N 1 2 359.386 1.437 20 5 FDBDLO Cc1ccnc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000301258364 259024769 /nfs/dbraw/zinc/02/47/69/259024769.db2.gz DXJDGQBEWRDCTI-UHFFFAOYSA-N 1 2 361.446 1.823 20 5 FDBDLO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330823112 259164830 /nfs/dbraw/zinc/16/48/30/259164830.db2.gz GNIUAYHPDMUZTN-UONOGXRCSA-N 1 2 355.460 1.783 20 5 FDBDLO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330823112 259164831 /nfs/dbraw/zinc/16/48/31/259164831.db2.gz GNIUAYHPDMUZTN-UONOGXRCSA-N 1 2 355.460 1.783 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000331858066 259225111 /nfs/dbraw/zinc/22/51/11/259225111.db2.gz JPSLGFSLOFLQCC-HNNXBMFYSA-N 1 2 369.443 1.957 20 5 FDBDLO O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)CCC[NH+]1CCOCC1)CC2 ZINC000332010542 259234900 /nfs/dbraw/zinc/23/49/00/259234900.db2.gz KATVPUUBNFHSFO-UHFFFAOYSA-N 1 2 369.443 1.005 20 5 FDBDLO C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@]1=O ZINC000332067729 259238863 /nfs/dbraw/zinc/23/88/63/259238863.db2.gz SRLYTOJZIAGRTQ-APXPCNQMSA-N 1 2 353.400 1.346 20 5 FDBDLO C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@]1=O ZINC000332067729 259238864 /nfs/dbraw/zinc/23/88/64/259238864.db2.gz SRLYTOJZIAGRTQ-APXPCNQMSA-N 1 2 353.400 1.346 20 5 FDBDLO CS[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000332081360 259239283 /nfs/dbraw/zinc/23/92/83/259239283.db2.gz LVTZBXQCKJCZRH-LSDHHAIUSA-N 1 2 351.428 1.952 20 5 FDBDLO O=C(C[N@H+]1CCSC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332241669 259251854 /nfs/dbraw/zinc/25/18/54/259251854.db2.gz JDBCWLBZZDHHOH-CQSZACIVSA-N 1 2 351.428 1.284 20 5 FDBDLO O=C(C[N@@H+]1CCSC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332241669 259251855 /nfs/dbraw/zinc/25/18/55/259251855.db2.gz JDBCWLBZZDHHOH-CQSZACIVSA-N 1 2 351.428 1.284 20 5 FDBDLO Cc1nn(C)c(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1[N+](=O)[O-] ZINC000332241437 259251860 /nfs/dbraw/zinc/25/18/60/259251860.db2.gz QKUNWCYEKYSUBQ-NSHDSACASA-N 1 2 360.418 1.876 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@H]21 ZINC000332268612 259253860 /nfs/dbraw/zinc/25/38/60/259253860.db2.gz UUSHRTKZSCELSF-YPMHNXCESA-N 1 2 357.313 1.351 20 5 FDBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@H]21 ZINC000332268612 259253861 /nfs/dbraw/zinc/25/38/61/259253861.db2.gz UUSHRTKZSCELSF-YPMHNXCESA-N 1 2 357.313 1.351 20 5 FDBDLO CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332346225 259259225 /nfs/dbraw/zinc/25/92/25/259259225.db2.gz PWGQARZQATZVNP-CQSZACIVSA-N 1 2 365.415 1.385 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000332415214 259264851 /nfs/dbraw/zinc/26/48/51/259264851.db2.gz UCVVMUQLQBNXMQ-CQSZACIVSA-N 1 2 362.365 1.988 20 5 FDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367883217 260105562 /nfs/dbraw/zinc/10/55/62/260105562.db2.gz CBSGRHQGGHWKCR-VIFPVBQESA-N 1 2 355.750 1.476 20 5 FDBDLO Cc1cc(N2CCN3C(=O)N(C)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000369689188 260414242 /nfs/dbraw/zinc/41/42/42/260414242.db2.gz 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359.386 1.363 20 5 FDBDLO CC(=O)c1ccc(N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c([N+](=O)[O-])c1 ZINC000374857176 261212405 /nfs/dbraw/zinc/21/24/05/261212405.db2.gz ROHOBIPSDWWRTD-UHFFFAOYSA-N 1 2 360.414 1.540 20 5 FDBDLO CC(=O)c1ccc(N2CCC(N3CC[N@H+](C)CC3=O)CC2)c([N+](=O)[O-])c1 ZINC000374857176 261212406 /nfs/dbraw/zinc/21/24/06/261212406.db2.gz ROHOBIPSDWWRTD-UHFFFAOYSA-N 1 2 360.414 1.540 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000378371294 262014412 /nfs/dbraw/zinc/01/44/12/262014412.db2.gz OKXZDDYUBNWLNN-WFASDCNBSA-N 1 2 371.397 1.810 20 5 FDBDLO CCc1nn(C)c(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1[N+](=O)[O-] ZINC000378371496 262014438 /nfs/dbraw/zinc/01/44/38/262014438.db2.gz RGYOKMCOBGTPTK-INIZCTEOSA-N 1 2 353.423 1.184 20 5 FDBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000271198325 674321288 /nfs/dbraw/zinc/32/12/88/674321288.db2.gz SCSINTITYNNGPI-UHFFFAOYSA-N 1 2 373.431 1.126 20 5 FDBDLO 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O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000158288337 524439939 /nfs/dbraw/zinc/43/99/39/524439939.db2.gz VUBCWWWXJAWSLJ-UHFFFAOYSA-N 1 2 369.443 1.328 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000159290171 524633578 /nfs/dbraw/zinc/63/35/78/524633578.db2.gz UGOOFFRKGOXJAP-JTQLQIEISA-N 1 2 354.413 1.609 20 5 FDBDLO Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000123102989 524681193 /nfs/dbraw/zinc/68/11/93/524681193.db2.gz LDTAJVRHNUCLKE-UHFFFAOYSA-N 1 2 374.441 1.674 20 5 FDBDLO Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000123102989 524681202 /nfs/dbraw/zinc/68/12/02/524681202.db2.gz LDTAJVRHNUCLKE-UHFFFAOYSA-N 1 2 374.441 1.674 20 5 FDBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000123281127 524719914 /nfs/dbraw/zinc/71/99/14/524719914.db2.gz LCQSTNNSQYIBOA-CQSZACIVSA-N 1 2 371.459 1.289 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000124479325 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COC(=O)c1cc(C)nc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596430350 552678433 /nfs/dbraw/zinc/67/84/33/552678433.db2.gz LWSJBHOOWROZBU-VXGBXAGGSA-N 1 2 352.391 1.606 20 5 FDBDLO COC(=O)c1cc(C)nc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596430350 552678435 /nfs/dbraw/zinc/67/84/35/552678435.db2.gz LWSJBHOOWROZBU-VXGBXAGGSA-N 1 2 352.391 1.606 20 5 FDBDLO COC(=O)c1cc(C)nc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596430347 552678610 /nfs/dbraw/zinc/67/86/10/552678610.db2.gz LWSJBHOOWROZBU-RYUDHWBXSA-N 1 2 352.391 1.606 20 5 FDBDLO COC(=O)c1cc(C)nc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596430347 552678612 /nfs/dbraw/zinc/67/86/12/552678612.db2.gz LWSJBHOOWROZBU-RYUDHWBXSA-N 1 2 352.391 1.606 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000596579926 552691149 /nfs/dbraw/zinc/69/11/49/552691149.db2.gz RQUCJJIAGWDPIO-OLZOCXBDSA-N 1 2 350.419 1.812 20 5 FDBDLO Cc1c(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000596579926 552691150 /nfs/dbraw/zinc/69/11/50/552691150.db2.gz RQUCJJIAGWDPIO-OLZOCXBDSA-N 1 2 350.419 1.812 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596843302 552716961 /nfs/dbraw/zinc/71/69/61/552716961.db2.gz JNXYGELQSQIHMY-CYBMUJFWSA-N 1 2 350.375 1.542 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597224983 552762778 /nfs/dbraw/zinc/76/27/78/552762778.db2.gz WSKHAEMPUMLVRM-CYBMUJFWSA-N 1 2 366.418 1.800 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597224983 552762779 /nfs/dbraw/zinc/76/27/79/552762779.db2.gz WSKHAEMPUMLVRM-CYBMUJFWSA-N 1 2 366.418 1.800 20 5 FDBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)(C)CO ZINC000597846296 552839976 /nfs/dbraw/zinc/83/99/76/552839976.db2.gz KKZWYEBDAZVRSH-CQSZACIVSA-N 1 2 372.385 1.694 20 5 FDBDLO CCOc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597996638 552854551 /nfs/dbraw/zinc/85/45/51/552854551.db2.gz KPCANBODQMGLBW-STQMWFEESA-N 1 2 351.403 1.833 20 5 FDBDLO CCOc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000597996638 552854552 /nfs/dbraw/zinc/85/45/52/552854552.db2.gz KPCANBODQMGLBW-STQMWFEESA-N 1 2 351.403 1.833 20 5 FDBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000598001315 552856072 /nfs/dbraw/zinc/85/60/72/552856072.db2.gz ZBJVQDHJLLMFAQ-CHWSQXEVSA-N 1 2 374.401 1.015 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000598001315 552856073 /nfs/dbraw/zinc/85/60/73/552856073.db2.gz ZBJVQDHJLLMFAQ-CHWSQXEVSA-N 1 2 374.401 1.015 20 5 FDBDLO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000598592475 552912520 /nfs/dbraw/zinc/91/25/20/552912520.db2.gz KMEPZPPATSCABI-UHFFFAOYSA-N 1 2 359.390 1.259 20 5 FDBDLO O=[N+]([O-])c1c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ncnc1N1CCOCC1 ZINC000598621491 552916702 /nfs/dbraw/zinc/91/67/02/552916702.db2.gz GSAYBNZLWALELH-CQSZACIVSA-N 1 2 372.385 1.274 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598621106 552916785 /nfs/dbraw/zinc/91/67/85/552916785.db2.gz URXSZSMGSLVKTP-QWHCGFSZSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598621106 552916787 /nfs/dbraw/zinc/91/67/87/552916787.db2.gz URXSZSMGSLVKTP-QWHCGFSZSA-N 1 2 371.459 1.287 20 5 FDBDLO CN1c2ccccc2C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000598946996 552950362 /nfs/dbraw/zinc/95/03/62/552950362.db2.gz KMRFZAXPPLZYMD-OAHLLOKOSA-N 1 2 371.393 1.813 20 5 FDBDLO CN1c2ccccc2C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000598946996 552950364 /nfs/dbraw/zinc/95/03/64/552950364.db2.gz KMRFZAXPPLZYMD-OAHLLOKOSA-N 1 2 371.393 1.813 20 5 FDBDLO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950577 552950826 /nfs/dbraw/zinc/95/08/26/552950826.db2.gz RZGCBNHDEGSGRT-LBPRGKRZSA-N 1 2 358.358 1.044 20 5 FDBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])nc3)CC1)CC2 ZINC000599045158 552962127 /nfs/dbraw/zinc/96/21/27/552962127.db2.gz FHHPEZGQDFMDFG-CQSZACIVSA-N 1 2 370.413 1.406 20 5 FDBDLO COC(=O)c1cn([C@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)nn1 ZINC000599067644 552964347 /nfs/dbraw/zinc/96/43/47/552964347.db2.gz XROANJVHLVALAX-LBPRGKRZSA-N 1 2 368.353 1.973 20 5 FDBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000599095408 552967079 /nfs/dbraw/zinc/96/70/79/552967079.db2.gz TVQCKYJDZCSATB-MRXNPFEDSA-N 1 2 363.395 1.537 20 5 FDBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599129955 552971433 /nfs/dbraw/zinc/97/14/33/552971433.db2.gz GFYYBHAQUSJOSK-OAHLLOKOSA-N 1 2 356.810 1.671 20 5 FDBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599129955 552971434 /nfs/dbraw/zinc/97/14/34/552971434.db2.gz 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CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599702317 553125392 /nfs/dbraw/zinc/12/53/92/553125392.db2.gz LQNLLVWDZBPHLV-MRXNPFEDSA-N 1 2 360.414 1.475 20 5 FDBDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829748 553157191 /nfs/dbraw/zinc/15/71/91/553157191.db2.gz KULFMCUCRMGVAE-UHFFFAOYSA-N 1 2 359.386 1.939 20 5 FDBDLO C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000601112991 553348755 /nfs/dbraw/zinc/34/87/55/553348755.db2.gz AHZAUDFRXDLISC-RKDXNWHRSA-N 1 2 351.329 1.868 20 5 FDBDLO Cc1cn2ccc(C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2[nH+]1 ZINC000602157351 553530698 /nfs/dbraw/zinc/53/06/98/553530698.db2.gz HMCSDQGMEZSCGT-UHFFFAOYSA-N 1 2 366.381 1.908 20 5 FDBDLO Cn1cc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602453013 553584379 /nfs/dbraw/zinc/58/43/79/553584379.db2.gz XXDVNVOMXWZFBE-UHFFFAOYSA-N 1 2 371.441 1.995 20 5 FDBDLO Cn1cc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602453013 553584380 /nfs/dbraw/zinc/58/43/80/553584380.db2.gz XXDVNVOMXWZFBE-UHFFFAOYSA-N 1 2 371.441 1.995 20 5 FDBDLO Cn1c2cc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)ccc2oc1=O ZINC000602686166 553623069 /nfs/dbraw/zinc/62/30/69/553623069.db2.gz AYQUNEULJZDNNN-UHFFFAOYSA-N 1 2 369.381 1.757 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000602756927 553632124 /nfs/dbraw/zinc/63/21/24/553632124.db2.gz BAUDEAJXIVROPU-UHFFFAOYSA-N 1 2 350.423 1.323 20 5 FDBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(CCc2cnccn2)CC1 ZINC000602998857 553688914 /nfs/dbraw/zinc/68/89/14/553688914.db2.gz OWTSZXSKBZGBTI-UHFFFAOYSA-N 1 2 357.414 1.624 20 5 FDBDLO C[N@H+](CCO)Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603238962 553739579 /nfs/dbraw/zinc/73/95/79/553739579.db2.gz CLLBIPYPYQUBPC-UHFFFAOYSA-N 1 2 370.207 1.421 20 5 FDBDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603238962 553739583 /nfs/dbraw/zinc/73/95/83/553739583.db2.gz CLLBIPYPYQUBPC-UHFFFAOYSA-N 1 2 370.207 1.421 20 5 FDBDLO 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O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000611170057 554611643 /nfs/dbraw/zinc/61/16/43/554611643.db2.gz XQDFPODHJPEYRF-CQSZACIVSA-N 1 2 353.444 1.542 20 5 FDBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)CC1 ZINC000611195948 554614278 /nfs/dbraw/zinc/61/42/78/554614278.db2.gz UGRCJYKIGZCXRR-AWEZNQCLSA-N 1 2 371.441 1.928 20 5 FDBDLO Cc1cc(C[NH+]2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)on1 ZINC000611253326 554619709 /nfs/dbraw/zinc/61/97/09/554619709.db2.gz XHCKQAUMKISEKP-UHFFFAOYSA-N 1 2 374.397 1.980 20 5 FDBDLO Cc1nc(N2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc[nH+]1 ZINC000612851947 554850241 /nfs/dbraw/zinc/85/02/41/554850241.db2.gz OHDCPHMETZBANL-UHFFFAOYSA-N 1 2 371.397 1.787 20 5 FDBDLO CCOc1cc(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000617214883 555401760 /nfs/dbraw/zinc/40/17/60/555401760.db2.gz LLOIQGMGXHNWLV-UHFFFAOYSA-N 1 2 360.418 1.738 20 5 FDBDLO O=C(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])NC1CCCC1 ZINC000619153407 555731436 /nfs/dbraw/zinc/73/14/36/555731436.db2.gz DIHICRIVUSPRMI-UHFFFAOYSA-N 1 2 362.430 1.898 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000619578643 555802841 /nfs/dbraw/zinc/80/28/41/555802841.db2.gz SNMSSMRRUCTYLJ-NSHDSACASA-N 1 2 353.338 2.000 20 5 FDBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000619836584 555842626 /nfs/dbraw/zinc/84/26/26/555842626.db2.gz FBZPJGFSOCRMEC-LBPRGKRZSA-N 1 2 372.385 1.607 20 5 FDBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1-c1nn[nH]n1 ZINC000826498576 607449040 /nfs/dbraw/zinc/44/90/40/607449040.db2.gz BEBFZPXMZHUQNQ-UHFFFAOYSA-N 1 2 352.358 1.497 20 5 FDBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821595052 606482802 /nfs/dbraw/zinc/48/28/02/606482802.db2.gz LHOFKDQFGLZOEC-UHFFFAOYSA-N 1 2 367.360 1.941 20 5 FDBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821595052 606482803 /nfs/dbraw/zinc/48/28/03/606482803.db2.gz 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COGYERMBRLLLTE-UONOGXRCSA-N 1 2 355.416 1.126 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000378306965 678737108 /nfs/dbraw/zinc/73/71/08/678737108.db2.gz COGYERMBRLLLTE-UONOGXRCSA-N 1 2 355.416 1.126 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1F ZINC000411372465 679024912 /nfs/dbraw/zinc/02/49/12/679024912.db2.gz CZZILAULMNKBAJ-LLVKDONJSA-N 1 2 355.366 1.122 20 5 FDBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411908643 679092731 /nfs/dbraw/zinc/09/27/31/679092731.db2.gz IGFHIIJQDHEKNG-WOPDTQHZSA-N 1 2 353.375 1.012 20 5 FDBDLO COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411908643 679092734 /nfs/dbraw/zinc/09/27/34/679092734.db2.gz IGFHIIJQDHEKNG-WOPDTQHZSA-N 1 2 353.375 1.012 20 5 FDBDLO C[C@@H](O)CNc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]cn1 ZINC000413225615 679246985 /nfs/dbraw/zinc/24/69/85/679246985.db2.gz CKWSHOJWGGUIGW-SNVBAGLBSA-N 1 2 351.794 2.486 20 5 FDBDLO C[C@@H](O)CNc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc[nH+]1 ZINC000413225615 679246987 /nfs/dbraw/zinc/24/69/87/679246987.db2.gz CKWSHOJWGGUIGW-SNVBAGLBSA-N 1 2 351.794 2.486 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1C ZINC000420446065 680454788 /nfs/dbraw/zinc/45/47/88/680454788.db2.gz ODKUCRZDHIVKRK-LLVKDONJSA-N 1 2 363.386 1.735 20 5 FDBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc(C)[nH+]1 ZINC000421575283 680665323 /nfs/dbraw/zinc/66/53/23/680665323.db2.gz JQBXEHISECKJEQ-UHFFFAOYSA-N 1 2 363.395 1.940 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](C(C)(C)COC)CC2)c1[N+](=O)[O-] ZINC000424999333 680867125 /nfs/dbraw/zinc/86/71/25/680867125.db2.gz LFVOEPJOFOTWEU-UHFFFAOYSA-N 1 2 353.423 1.453 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](C(C)(C)COC)CC2)c1[N+](=O)[O-] ZINC000424999333 680867127 /nfs/dbraw/zinc/86/71/27/680867127.db2.gz LFVOEPJOFOTWEU-UHFFFAOYSA-N 1 2 353.423 1.453 20 5 FDBDLO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000425473794 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FDBDLO COc1cc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000485744417 852821414 /nfs/dbraw/zinc/82/14/14/852821414.db2.gz MRYNCKKLJJJXES-ZDUSSCGKSA-N 1 2 362.430 1.388 20 5 FDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000907088837 853816617 /nfs/dbraw/zinc/81/66/17/853816617.db2.gz SSXPRXVQWCVQGQ-CQSZACIVSA-N 1 2 352.822 1.297 20 5 FDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000908029013 854929137 /nfs/dbraw/zinc/92/91/37/854929137.db2.gz PXGHRCUVCAAZAU-HNNXBMFYSA-N 1 2 366.849 1.687 20 5 FDBDLO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000908029013 854929143 /nfs/dbraw/zinc/92/91/43/854929143.db2.gz PXGHRCUVCAAZAU-HNNXBMFYSA-N 1 2 366.849 1.687 20 5 FDBDLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000428801749 868259708 /nfs/dbraw/zinc/25/97/08/868259708.db2.gz BYZAHTGBBCALIE-MRXNPFEDSA-N 1 2 364.358 1.703 20 5 FDBDLO COC(=O)C[C@]1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOC1 ZINC000464597543 868953793 /nfs/dbraw/zinc/95/37/93/868953793.db2.gz IOMBZHFUZVPIAN-MRXNPFEDSA-N 1 2 362.342 1.457 20 5 FDBDLO COc1ccc2nc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)[nH]c2n1 ZINC000497753562 883620834 /nfs/dbraw/zinc/62/08/34/883620834.db2.gz OVMHOTRXCJDRJT-LLVKDONJSA-N 1 2 369.385 1.956 20 5 FDBDLO COc1ccc2nc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)[nH]c2n1 ZINC000497753562 883620839 /nfs/dbraw/zinc/62/08/39/883620839.db2.gz OVMHOTRXCJDRJT-LLVKDONJSA-N 1 2 369.385 1.956 20 5 FDBDLO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000498519194 885121434 /nfs/dbraw/zinc/12/14/34/885121434.db2.gz QNYJILJFGBHHRR-STQMWFEESA-N 1 2 357.370 1.425 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3csnn3)C2)CC1 ZINC001035187641 885753890 /nfs/dbraw/zinc/75/38/90/885753890.db2.gz ZKCZUMNDCIAGAL-CHWSQXEVSA-N 1 2 351.432 1.018 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3csnn3)C2)CC1 ZINC001035187641 885753895 /nfs/dbraw/zinc/75/38/95/885753895.db2.gz ZKCZUMNDCIAGAL-CHWSQXEVSA-N 1 2 351.432 1.018 20 5 FDBDLO COc1cccc(Cl)c1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031663085 887005156 /nfs/dbraw/zinc/00/51/56/887005156.db2.gz RRUHNKMGNBIMNY-BXUZGUMPSA-N 1 2 353.806 1.562 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921321193 887642006 /nfs/dbraw/zinc/64/20/06/887642006.db2.gz ATUWUTHFTTUVJV-YPMHNXCESA-N 1 2 357.457 1.453 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921321193 887642014 /nfs/dbraw/zinc/64/20/14/887642014.db2.gz ATUWUTHFTTUVJV-YPMHNXCESA-N 1 2 357.457 1.453 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323282 887653650 /nfs/dbraw/zinc/65/36/50/887653650.db2.gz FKXZROQYJMRFKM-OCCSQVGLSA-N 1 2 371.484 1.761 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323282 887653655 /nfs/dbraw/zinc/65/36/55/887653655.db2.gz FKXZROQYJMRFKM-OCCSQVGLSA-N 1 2 371.484 1.761 20 5 FDBDLO Cc1nn(CN2CC[NH+](Cc3cnn(C)c3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764984234 906163119 /nfs/dbraw/zinc/16/31/19/906163119.db2.gz GOPHQJYPHRPNGJ-UHFFFAOYSA-N 1 2 369.429 1.762 20 5 FDBDLO CC(C)Cc1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000997770940 909661064 /nfs/dbraw/zinc/66/10/64/909661064.db2.gz CTTVLYWEIVSRSH-ZIAGYGMSSA-N 1 2 365.434 1.262 20 5 FDBDLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000738067607 925087652 /nfs/dbraw/zinc/08/76/52/925087652.db2.gz ZYATZVUOSUSPGZ-RHSMWYFYSA-N 1 2 362.386 1.430 20 5 FDBDLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000738067607 925087661 /nfs/dbraw/zinc/08/76/61/925087661.db2.gz ZYATZVUOSUSPGZ-RHSMWYFYSA-N 1 2 362.386 1.430 20 5 FDBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000741147541 925602515 /nfs/dbraw/zinc/60/25/15/925602515.db2.gz KCPNNJVUMKCQJU-AWEZNQCLSA-N 1 2 365.386 1.960 20 5 FDBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000741147541 925602522 /nfs/dbraw/zinc/60/25/22/925602522.db2.gz KCPNNJVUMKCQJU-AWEZNQCLSA-N 1 2 365.386 1.960 20 5 FDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000742401166 926050308 /nfs/dbraw/zinc/05/03/08/926050308.db2.gz ORUGXSBYQSZLLX-LBPRGKRZSA-N 1 2 351.388 1.280 20 5 FDBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000745084143 927058797 /nfs/dbraw/zinc/05/87/97/927058797.db2.gz QZEIUNPYFRLZBP-HNNXBMFYSA-N 1 2 361.398 1.902 20 5 FDBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000745084143 927058809 /nfs/dbraw/zinc/05/88/09/927058809.db2.gz QZEIUNPYFRLZBP-HNNXBMFYSA-N 1 2 361.398 1.902 20 5 FDBDLO C[N@@H+]1CCOC[C@@H]1CNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001169651379 928822100 /nfs/dbraw/zinc/82/21/00/928822100.db2.gz NLRXPSLGAXNXGX-ZDUSSCGKSA-N 1 2 371.397 1.985 20 5 FDBDLO C[N@H+]1CCOC[C@@H]1CNc1ncccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001169651379 928822111 /nfs/dbraw/zinc/82/21/11/928822111.db2.gz NLRXPSLGAXNXGX-ZDUSSCGKSA-N 1 2 371.397 1.985 20 5 FDBDLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804334443 928840667 /nfs/dbraw/zinc/84/06/67/928840667.db2.gz GSGSTAHILXVDID-BDJLRTHQSA-N 1 2 355.354 1.416 20 5 FDBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000771146111 930497420 /nfs/dbraw/zinc/49/74/20/930497420.db2.gz LZTPHJZLBFORPP-DEOSSOPVSA-N 1 2 363.386 1.697 20 5 FDBDLO Cc1cc(=O)c(C(=O)OCCn2cc[nH+]c2)nn1-c1ccccc1[N+](=O)[O-] ZINC000771875982 930941639 /nfs/dbraw/zinc/94/16/39/930941639.db2.gz XEDOCNNLPLXIDS-UHFFFAOYSA-N 1 2 369.337 1.503 20 5 FDBDLO CCOCCNC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676576 931540739 /nfs/dbraw/zinc/54/07/39/931540739.db2.gz WDNORMUXVOAWTE-UHFFFAOYSA-N 1 2 362.342 1.090 20 5 FDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000805474283 938750726 /nfs/dbraw/zinc/75/07/26/938750726.db2.gz PHSWBYODLAAHGH-CQSZACIVSA-N 1 2 351.359 1.106 20 5 FDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000805474283 938750727 /nfs/dbraw/zinc/75/07/27/938750727.db2.gz PHSWBYODLAAHGH-CQSZACIVSA-N 1 2 351.359 1.106 20 5 FDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000807282757 940298336 /nfs/dbraw/zinc/29/83/36/940298336.db2.gz RMHOKWUMYFXPMX-HZMBPMFUSA-N 1 2 364.333 1.392 20 5 FDBDLO Cn1cc(C[C@H]2CC[N@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)cn1 ZINC000747459861 940520460 /nfs/dbraw/zinc/52/04/60/940520460.db2.gz HLSYBYKLZZPDRJ-GFCCVEGCSA-N 1 2 369.381 1.446 20 5 FDBDLO Cn1cc(C[C@H]2CC[N@@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)cn1 ZINC000747459861 940520461 /nfs/dbraw/zinc/52/04/61/940520461.db2.gz HLSYBYKLZZPDRJ-GFCCVEGCSA-N 1 2 369.381 1.446 20 5 FDBDLO C[N@H+](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809810407 940899847 /nfs/dbraw/zinc/89/98/47/940899847.db2.gz WZZAWFLTSIZAHM-UHFFFAOYSA-N 1 2 351.787 1.760 20 5 FDBDLO 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ZINC000770010529 929795815 /nfs/dbraw/zinc/79/58/15/929795815.db2.gz HKAKMGYPFZWAMA-LBPRGKRZSA-N 1 2 372.809 1.405 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@H]2C(=O)OCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000771952805 930979587 /nfs/dbraw/zinc/97/95/87/930979587.db2.gz VRNARAPSKFYEIO-INIZCTEOSA-N 1 2 372.381 1.948 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790650076 933674432 /nfs/dbraw/zinc/67/44/32/933674432.db2.gz YZDKOVWJUDEDOL-JTQLQIEISA-N 1 2 359.785 1.767 20 5 FDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790650076 933674437 /nfs/dbraw/zinc/67/44/37/933674437.db2.gz YZDKOVWJUDEDOL-JTQLQIEISA-N 1 2 359.785 1.767 20 5 FDBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000807281562 940297867 /nfs/dbraw/zinc/29/78/67/940297867.db2.gz UIFLKWDMNVUTDN-GFCCVEGCSA-N 1 2 358.310 1.509 20 5 FDBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000807284737 940301223 /nfs/dbraw/zinc/30/12/23/940301223.db2.gz 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NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001136672148 945449940 /nfs/dbraw/zinc/44/99/40/945449940.db2.gz CSCAZNGVUJXYJY-CQSZACIVSA-N 1 2 360.414 1.082 20 5 FDBDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001136672148 945449949 /nfs/dbraw/zinc/44/99/49/945449949.db2.gz CSCAZNGVUJXYJY-CQSZACIVSA-N 1 2 360.414 1.082 20 5 FDBDLO Nc1c(Br)cc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC001136818199 946214314 /nfs/dbraw/zinc/21/43/14/946214314.db2.gz NYZUTIVYULLAMV-UHFFFAOYSA-N 1 2 354.164 1.635 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000843847445 947332653 /nfs/dbraw/zinc/33/26/53/947332653.db2.gz YTWLHMWCEPLDRR-LLVKDONJSA-N 1 2 367.377 1.752 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000843847445 947332666 /nfs/dbraw/zinc/33/26/66/947332666.db2.gz YTWLHMWCEPLDRR-LLVKDONJSA-N 1 2 367.377 1.752 20 5 FDBDLO CCOCC[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 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KYBBQFUWDOFRJO-KGLIPLIRSA-N 1 2 360.370 1.440 20 5 FDBDLO CCOC(=O)c1ccnc(NCC[N@@H+]2CCOC[C@H]2CC)c1[N+](=O)[O-] ZINC001187524907 965467240 /nfs/dbraw/zinc/46/72/40/965467240.db2.gz AFUKUGNSRNUFMA-GFCCVEGCSA-N 1 2 352.391 1.689 20 5 FDBDLO CCOC(=O)c1ccnc(NCC[N@H+]2CCOC[C@H]2CC)c1[N+](=O)[O-] ZINC001187524907 965467253 /nfs/dbraw/zinc/46/72/53/965467253.db2.gz AFUKUGNSRNUFMA-GFCCVEGCSA-N 1 2 352.391 1.689 20 5 FDBDLO O=C(C[N@@H+]1CCC2=C(CCC(=O)N2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000852298520 967197431 /nfs/dbraw/zinc/19/74/31/967197431.db2.gz BAJRRXYVYKWOKL-UHFFFAOYSA-N 1 2 356.382 1.354 20 5 FDBDLO O=C(C[N@H+]1CCC2=C(CCC(=O)N2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000852298520 967197438 /nfs/dbraw/zinc/19/74/38/967197438.db2.gz BAJRRXYVYKWOKL-UHFFFAOYSA-N 1 2 356.382 1.354 20 5 FDBDLO O=C1[C@H]([N@@H+]2CCC3=C(CCC(=O)N3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000852298141 967197581 /nfs/dbraw/zinc/19/75/81/967197581.db2.gz UOMBADYUNVKRFN-MRXNPFEDSA-N 1 2 356.382 1.570 20 5 FDBDLO O=C1[C@H]([N@H+]2CCC3=C(CCC(=O)N3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000852298141 967197585 /nfs/dbraw/zinc/19/75/85/967197585.db2.gz UOMBADYUNVKRFN-MRXNPFEDSA-N 1 2 356.382 1.570 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852721651 967551622 /nfs/dbraw/zinc/55/16/22/967551622.db2.gz GLCONCCCUBYQID-GFCCVEGCSA-N 1 2 362.386 1.838 20 5 FDBDLO O=C1OCCN1C1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000853608588 968182403 /nfs/dbraw/zinc/18/24/03/968182403.db2.gz WHGPZCUWIJHMTK-UHFFFAOYSA-N 1 2 372.385 1.727 20 5 FDBDLO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]([NH+]4CCOCC4)C3)cc2N1 ZINC000853652071 968226122 /nfs/dbraw/zinc/22/61/22/968226122.db2.gz AGSQASNEECYEDT-CQSZACIVSA-N 1 2 360.414 1.781 20 5 FDBDLO CC[N@@H+](Cc1cnsn1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713360 1013855274 /nfs/dbraw/zinc/85/52/74/1013855274.db2.gz ZNVVNJDWHPSNFN-ZIAGYGMSSA-N 1 2 353.448 1.264 20 5 FDBDLO CC[N@H+](Cc1cnsn1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 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CC[C@@H]1C[N@@H+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000470446347 994013519 /nfs/dbraw/zinc/01/35/19/994013519.db2.gz PFUBJGZPLGFYAT-MRXNPFEDSA-N 1 2 360.414 1.777 20 5 FDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000926943823 996370184 /nfs/dbraw/zinc/37/01/84/996370184.db2.gz MROUXASLSZVNAO-BSWAZPDLSA-N 1 2 358.398 1.811 20 5 FDBDLO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2nc(N)n(C)n2)cccc1[N+](=O)[O-] ZINC000284304869 999802755 /nfs/dbraw/zinc/80/27/55/999802755.db2.gz OUXOZCSLIOLJMT-AWEZNQCLSA-N 1 2 373.417 1.780 20 5 FDBDLO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc(N)n(C)n2)cccc1[N+](=O)[O-] ZINC000284304869 999802758 /nfs/dbraw/zinc/80/27/58/999802758.db2.gz OUXOZCSLIOLJMT-AWEZNQCLSA-N 1 2 373.417 1.780 20 5 FDBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000286010932 999930802 /nfs/dbraw/zinc/93/08/02/999930802.db2.gz YYHLOEAQDYXOEF-AAEUAGOBSA-N 1 2 363.370 1.259 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000286081508 999937037 /nfs/dbraw/zinc/93/70/37/999937037.db2.gz AGKDADZJPDNSNS-UKRRQHHQSA-N 1 2 362.430 1.596 20 5 FDBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000286765750 999949927 /nfs/dbraw/zinc/94/99/27/999949927.db2.gz PRLFQFLSNNMWQL-PBHICJAKSA-N 1 2 362.430 1.642 20 5 FDBDLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928124157 1001401421 /nfs/dbraw/zinc/40/14/21/1001401421.db2.gz GZKLYWGUVPGULK-AAVRWANBSA-N 1 2 357.332 1.831 20 5 FDBDLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928124157 1001401428 /nfs/dbraw/zinc/40/14/28/1001401428.db2.gz GZKLYWGUVPGULK-AAVRWANBSA-N 1 2 357.332 1.831 20 5 FDBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000928643005 1001601282 /nfs/dbraw/zinc/60/12/82/1001601282.db2.gz JJNVBHCEJSHAEB-ZDUSSCGKSA-N 1 2 358.398 1.984 20 5 FDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000931502979 1004222436 /nfs/dbraw/zinc/22/24/36/1004222436.db2.gz VBAXWEALMZKFSW-IINYFYTJSA-N 1 2 359.220 1.923 20 5 FDBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000931502979 1004222448 /nfs/dbraw/zinc/22/24/48/1004222448.db2.gz VBAXWEALMZKFSW-IINYFYTJSA-N 1 2 359.220 1.923 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193964712 178191468 /nfs/dbraw/zinc/19/14/68/178191468.db2.gz SENDKZXGJMVNID-MRXNPFEDSA-N 1 2 358.398 1.227 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193964712 178191471 /nfs/dbraw/zinc/19/14/71/178191471.db2.gz SENDKZXGJMVNID-MRXNPFEDSA-N 1 2 358.398 1.227 20 5 FDBDLO Cc1c(CNC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000508730069 538936365 /nfs/dbraw/zinc/93/63/65/538936365.db2.gz LZODZKOAKPNFDD-UHFFFAOYSA-N 1 2 373.413 1.688 20 5 FDBDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nn1 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C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000538852081 540900321 /nfs/dbraw/zinc/90/03/21/540900321.db2.gz RTVYDUCQDHJPIM-GHMZBOCLSA-N 1 2 371.415 1.079 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541943721 541304142 /nfs/dbraw/zinc/30/41/42/541304142.db2.gz CAMKMTSFHCLSDU-SNVBAGLBSA-N 1 2 359.329 1.647 20 5 FDBDLO CCOC(=O)C[C@@H](C)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542260122 541367501 /nfs/dbraw/zinc/36/75/01/541367501.db2.gz SMGHPUIGQDNRPK-GFCCVEGCSA-N 1 2 358.416 1.642 20 5 FDBDLO CCOC(=O)C[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542260122 541367505 /nfs/dbraw/zinc/36/75/05/541367505.db2.gz SMGHPUIGQDNRPK-GFCCVEGCSA-N 1 2 358.416 1.642 20 5 FDBDLO CCOC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000543555850 541610340 /nfs/dbraw/zinc/61/03/40/541610340.db2.gz ZMAKVHAXGXEZJV-MRXNPFEDSA-N 1 2 352.387 1.922 20 5 FDBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000282463294 182016235 /nfs/dbraw/zinc/01/62/35/182016235.db2.gz KVOHKYFKQUGSBX-UHFFFAOYSA-N 1 2 350.350 1.287 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000286786407 183143961 /nfs/dbraw/zinc/14/39/61/183143961.db2.gz OQVPXIQBIOVHKI-HOCLYGCPSA-N 1 2 364.402 1.930 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000286786407 183143964 /nfs/dbraw/zinc/14/39/64/183143964.db2.gz OQVPXIQBIOVHKI-HOCLYGCPSA-N 1 2 364.402 1.930 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)c2ncccc12 ZINC000546626226 542186386 /nfs/dbraw/zinc/18/63/86/542186386.db2.gz MAUMWKBGOHTMOJ-UHFFFAOYSA-N 1 2 359.367 1.585 20 5 FDBDLO C[C@H]1C[NH+]=C(N2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CC2)S1 ZINC000287446770 183294628 /nfs/dbraw/zinc/29/46/28/183294628.db2.gz VLKBYNNUBVHNTO-JTQLQIEISA-N 1 2 374.426 1.857 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1Cc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000547017966 542270949 /nfs/dbraw/zinc/27/09/49/542270949.db2.gz YYCPXFCLGZGYBR-UHFFFAOYSA-N 1 2 352.310 1.426 20 5 FDBDLO Cc1nc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)ncc1[N+](=O)[O-] ZINC000294886536 184016225 /nfs/dbraw/zinc/01/62/25/184016225.db2.gz FZWSGFCDJKRWFN-JSGCOSHPSA-N 1 2 363.397 1.476 20 5 FDBDLO Cc1nc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)ncc1[N+](=O)[O-] ZINC000294886536 184016226 /nfs/dbraw/zinc/01/62/26/184016226.db2.gz FZWSGFCDJKRWFN-JSGCOSHPSA-N 1 2 363.397 1.476 20 5 FDBDLO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+](C2CC2)C1 ZINC000294936293 184020856 /nfs/dbraw/zinc/02/08/56/184020856.db2.gz LCEXKFYRLGGZHL-GFCCVEGCSA-N 1 2 353.444 1.919 20 5 FDBDLO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+](C2CC2)C1 ZINC000294936293 184020858 /nfs/dbraw/zinc/02/08/58/184020858.db2.gz LCEXKFYRLGGZHL-GFCCVEGCSA-N 1 2 353.444 1.919 20 5 FDBDLO CCOC(=O)[C@@H](F)C1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295935326 184115506 /nfs/dbraw/zinc/11/55/06/184115506.db2.gz ICDGGPLOBMUAOX-WFASDCNBSA-N 1 2 356.350 1.168 20 5 FDBDLO COc1cc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000296432728 184165510 /nfs/dbraw/zinc/16/55/10/184165510.db2.gz VPAFQQBUIJPNLL-TXEJJXNPSA-N 1 2 369.393 1.924 20 5 FDBDLO COc1cc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000296432728 184165511 /nfs/dbraw/zinc/16/55/11/184165511.db2.gz VPAFQQBUIJPNLL-TXEJJXNPSA-N 1 2 369.393 1.924 20 5 FDBDLO Cc1cc(F)c(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000296775862 184199338 /nfs/dbraw/zinc/19/93/38/184199338.db2.gz PHKDIPBUJSZCML-LBPRGKRZSA-N 1 2 353.398 1.800 20 5 FDBDLO Cn1c[nH+]cc1Cc1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000547245352 542290088 /nfs/dbraw/zinc/29/00/88/542290088.db2.gz JMEXISQDVQBKAF-UHFFFAOYSA-N 1 2 374.382 1.693 20 5 FDBDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298017005 184376238 /nfs/dbraw/zinc/37/62/38/184376238.db2.gz DBJYWSBHPBRIBA-HNNXBMFYSA-N 1 2 369.425 1.817 20 5 FDBDLO Nc1nccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000548059499 542543198 /nfs/dbraw/zinc/54/31/98/542543198.db2.gz WUTDCJYAPCUKOB-OAHLLOKOSA-N 1 2 371.397 1.375 20 5 FDBDLO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000548664814 542737136 /nfs/dbraw/zinc/73/71/36/542737136.db2.gz ABHZCARSWXKEDQ-HNNXBMFYSA-N 1 2 364.431 1.331 20 5 FDBDLO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000548664814 542737138 /nfs/dbraw/zinc/73/71/38/542737138.db2.gz ABHZCARSWXKEDQ-HNNXBMFYSA-N 1 2 364.431 1.331 20 5 FDBDLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548942228 542811257 /nfs/dbraw/zinc/81/12/57/542811257.db2.gz YZJMSKJTQRVBAI-JTQLQIEISA-N 1 2 365.340 1.991 20 5 FDBDLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548942228 542811258 /nfs/dbraw/zinc/81/12/58/542811258.db2.gz YZJMSKJTQRVBAI-JTQLQIEISA-N 1 2 365.340 1.991 20 5 FDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)NCC[NH+]1CCCCC1 ZINC000549726748 542924448 /nfs/dbraw/zinc/92/44/48/542924448.db2.gz QSGZAQKUMBCEFM-GFCCVEGCSA-N 1 2 364.402 1.021 20 5 FDBDLO C[C@@H]1CN(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000552046623 543411170 /nfs/dbraw/zinc/41/11/70/543411170.db2.gz MOUSVTGABYDZIT-RHSMWYFYSA-N 1 2 359.430 1.728 20 5 FDBDLO CNc1nccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000552881969 543531562 /nfs/dbraw/zinc/53/15/62/543531562.db2.gz YWNUAQOHGQVNMQ-HNNXBMFYSA-N 1 2 355.398 2.160 20 5 FDBDLO CNc1nccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000552881969 543531564 /nfs/dbraw/zinc/53/15/64/543531564.db2.gz YWNUAQOHGQVNMQ-HNNXBMFYSA-N 1 2 355.398 2.160 20 5 FDBDLO Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)C2=O)cn1 ZINC000173468069 258300224 /nfs/dbraw/zinc/30/02/24/258300224.db2.gz KILQRXBRCINHAF-SWLSCSKDSA-N 1 2 371.401 1.015 20 5 FDBDLO Cn1cc(N2CC[C@@H]([N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)C2=O)cn1 ZINC000173468069 258300225 /nfs/dbraw/zinc/30/02/25/258300225.db2.gz KILQRXBRCINHAF-SWLSCSKDSA-N 1 2 371.401 1.015 20 5 FDBDLO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000068511846 172020267 /nfs/dbraw/zinc/02/02/67/172020267.db2.gz ZWFGSUINIGZPJE-OAHLLOKOSA-N 1 2 350.419 1.572 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000069005846 172024805 /nfs/dbraw/zinc/02/48/05/172024805.db2.gz QOFBLNWGCXRLNO-UHFFFAOYSA-N 1 2 374.372 1.852 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000072538490 172042900 /nfs/dbraw/zinc/04/29/00/172042900.db2.gz XDMOHYLIQDTHDO-AWEZNQCLSA-N 1 2 355.416 1.080 20 5 FDBDLO O=C(C[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000087003999 172225017 /nfs/dbraw/zinc/22/50/17/172225017.db2.gz SAUCJYIHMUMVAO-UHFFFAOYSA-N 1 2 374.441 1.294 20 5 FDBDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000088305407 172231979 /nfs/dbraw/zinc/23/19/79/172231979.db2.gz IMPFJHZKISPKAN-HNNXBMFYSA-N 1 2 374.441 1.672 20 5 FDBDLO O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000090007180 172259318 /nfs/dbraw/zinc/25/93/18/172259318.db2.gz PUQYFLIZISVYLC-SFHVURJKSA-N 1 2 374.441 1.354 20 5 FDBDLO O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000090007180 172259321 /nfs/dbraw/zinc/25/93/21/172259321.db2.gz PUQYFLIZISVYLC-SFHVURJKSA-N 1 2 374.441 1.354 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000090552486 172266536 /nfs/dbraw/zinc/26/65/36/172266536.db2.gz ZCBZOXXYNMECMM-GJZGRUSLSA-N 1 2 363.370 1.174 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000090552486 172266538 /nfs/dbraw/zinc/26/65/38/172266538.db2.gz ZCBZOXXYNMECMM-GJZGRUSLSA-N 1 2 363.370 1.174 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000090552483 172266996 /nfs/dbraw/zinc/26/69/96/172266996.db2.gz ZCBZOXXYNMECMM-HUUCEWRRSA-N 1 2 363.370 1.174 20 5 FDBDLO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000090552483 172266997 /nfs/dbraw/zinc/26/69/97/172266997.db2.gz ZCBZOXXYNMECMM-HUUCEWRRSA-N 1 2 363.370 1.174 20 5 FDBDLO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000090554615 172267280 /nfs/dbraw/zinc/26/72/80/172267280.db2.gz VVKYBEBDEGHFGJ-KGLIPLIRSA-N 1 2 357.432 1.044 20 5 FDBDLO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000090554615 172267282 /nfs/dbraw/zinc/26/72/82/172267282.db2.gz VVKYBEBDEGHFGJ-KGLIPLIRSA-N 1 2 357.432 1.044 20 5 FDBDLO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000097549177 172329742 /nfs/dbraw/zinc/32/97/42/172329742.db2.gz KYKXVOAPXVKJEN-HNNXBMFYSA-N 1 2 371.397 1.558 20 5 FDBDLO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000104599233 172382600 /nfs/dbraw/zinc/38/26/00/172382600.db2.gz SQWQJGPOOPQAIP-VXGBXAGGSA-N 1 2 355.366 1.338 20 5 FDBDLO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000104937870 172390572 /nfs/dbraw/zinc/39/05/72/172390572.db2.gz RXBSPGPHFRJJLB-RYUDHWBXSA-N 1 2 366.374 1.650 20 5 FDBDLO CC(=O)N1CCC(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000130106445 173160329 /nfs/dbraw/zinc/16/03/29/173160329.db2.gz DNEVTYTZNNPRRY-UHFFFAOYSA-N 1 2 374.441 1.686 20 5 FDBDLO CC(=O)N1CCC(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000130106445 173160332 /nfs/dbraw/zinc/16/03/32/173160332.db2.gz DNEVTYTZNNPRRY-UHFFFAOYSA-N 1 2 374.441 1.686 20 5 FDBDLO CCN1CC[NH+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)CC1 ZINC000136037828 173355931 /nfs/dbraw/zinc/35/59/31/173355931.db2.gz QWEFLHXLBRMZBN-UHFFFAOYSA-N 1 2 372.429 1.385 20 5 FDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000151024729 173388514 /nfs/dbraw/zinc/38/85/14/173388514.db2.gz BETXHKCGJCNUMR-UHFFFAOYSA-N 1 2 373.413 1.695 20 5 FDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175971838 174040681 /nfs/dbraw/zinc/04/06/81/174040681.db2.gz XKDSHCUVFKVZMZ-GFCCVEGCSA-N 1 2 373.406 1.077 20 5 FDBDLO C[C@H]1C[NH+]=C(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)S1 ZINC000177215605 174115317 /nfs/dbraw/zinc/11/53/17/174115317.db2.gz ALWMFFMPLJFVHA-LBPRGKRZSA-N 1 2 363.443 1.642 20 5 FDBDLO Nc1c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000178161046 174174739 /nfs/dbraw/zinc/17/47/39/174174739.db2.gz DESFQBGWHDRANF-QGZVFWFLSA-N 1 2 370.409 1.980 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc([N+](=O)[O-])c1F ZINC000180078314 258361930 /nfs/dbraw/zinc/36/19/30/258361930.db2.gz PEXZNVJXWSBHBI-GFCCVEGCSA-N 1 2 373.406 1.184 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc([N+](=O)[O-])c1F ZINC000180078314 258361931 /nfs/dbraw/zinc/36/19/31/258361931.db2.gz PEXZNVJXWSBHBI-GFCCVEGCSA-N 1 2 373.406 1.184 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000180303877 258366002 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ZINC000597934180 552847631 /nfs/dbraw/zinc/84/76/31/552847631.db2.gz IEIQDTGGYIBSRU-CMPLNLGQSA-N 1 2 353.342 1.808 20 5 FDBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c2ncnn21 ZINC000597935943 552848005 /nfs/dbraw/zinc/84/80/05/552848005.db2.gz LMYGHXIEUNRKIJ-CMPLNLGQSA-N 1 2 353.342 1.808 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598001280 552855899 /nfs/dbraw/zinc/85/58/99/552855899.db2.gz YQBWDLNHPVGAAO-KGLIPLIRSA-N 1 2 373.413 1.620 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598001280 552855901 /nfs/dbraw/zinc/85/59/01/552855901.db2.gz YQBWDLNHPVGAAO-KGLIPLIRSA-N 1 2 373.413 1.620 20 5 FDBDLO COc1c(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cccc1[N+](=O)[O-] ZINC000598342910 552887819 /nfs/dbraw/zinc/88/78/19/552887819.db2.gz OTKDJWMTLIKEIG-UHFFFAOYSA-N 1 2 363.414 1.788 20 5 FDBDLO C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1[nH+]ccn1C ZINC000598459899 552898370 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O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cn1 ZINC000600680819 553298969 /nfs/dbraw/zinc/29/89/69/553298969.db2.gz HLMCHAFWSQTETM-OAHLLOKOSA-N 1 2 357.370 1.016 20 5 FDBDLO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1([NH+]2CCOCC2)CC1 ZINC000600999204 553337820 /nfs/dbraw/zinc/33/78/20/553337820.db2.gz XUWJDJQESKHEQY-UHFFFAOYSA-N 1 2 360.414 1.108 20 5 FDBDLO C[C@H]([C@H](C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[NH+]1CCOCC1 ZINC000601112989 553349000 /nfs/dbraw/zinc/34/90/00/553349000.db2.gz AHZAUDFRXDLISC-DTWKUNHWSA-N 1 2 351.329 1.868 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000602786160 553638684 /nfs/dbraw/zinc/63/86/84/553638684.db2.gz OCXTWDBMOGMRHW-UHFFFAOYSA-N 1 2 353.320 1.618 20 5 FDBDLO CCOC(=O)C1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000602796202 553640747 /nfs/dbraw/zinc/64/07/47/553640747.db2.gz WHBMUIYBFUPTCF-UHFFFAOYSA-N 1 2 358.398 1.790 20 5 FDBDLO Cc1cc(N2CC3(C2)CC(=O)NCC[NH2+]3)c([N+](=O)[O-])cc1C(F)(F)F ZINC000603414791 553782340 /nfs/dbraw/zinc/78/23/40/553782340.db2.gz DYSLZJJJUIVGDY-UHFFFAOYSA-N 1 2 358.320 1.590 20 5 FDBDLO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000604541222 553886735 /nfs/dbraw/zinc/88/67/35/553886735.db2.gz VWRDVJVQVZTICG-QGZVFWFLSA-N 1 2 362.386 1.084 20 5 FDBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2cccnc2[N+](=O)[O-])CC1 ZINC000609150221 554344035 /nfs/dbraw/zinc/34/40/35/554344035.db2.gz YFVYAIFBWAYJJZ-UHFFFAOYSA-N 1 2 356.386 1.699 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1SC ZINC000609178366 554346352 /nfs/dbraw/zinc/34/63/52/554346352.db2.gz SYBNAWNCQZFGBS-LLVKDONJSA-N 1 2 369.443 1.776 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1SC ZINC000609178366 554346353 /nfs/dbraw/zinc/34/63/53/554346353.db2.gz SYBNAWNCQZFGBS-LLVKDONJSA-N 1 2 369.443 1.776 20 5 FDBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H](C)[NH+]1CCOCC1 ZINC000609192055 554347921 /nfs/dbraw/zinc/34/79/21/554347921.db2.gz QEVJISCVDUNCHH-NEPJUHHUSA-N 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CON(C)C(=O)C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000812867372 941289400 /nfs/dbraw/zinc/28/94/00/941289400.db2.gz CDOWCYRFXAGAEM-UHFFFAOYSA-N 1 2 364.402 1.574 20 5 FDBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc2n[nH]nc2c1 ZINC000813170555 941341429 /nfs/dbraw/zinc/34/14/29/941341429.db2.gz HPINYGGYZLELGQ-AWEZNQCLSA-N 1 2 368.353 1.692 20 5 FDBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc2n[nH]nc2c1 ZINC000813170555 941341431 /nfs/dbraw/zinc/34/14/31/941341431.db2.gz HPINYGGYZLELGQ-AWEZNQCLSA-N 1 2 368.353 1.692 20 5 FDBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC(C)(C)OC1=O ZINC000816727265 942312459 /nfs/dbraw/zinc/31/24/59/942312459.db2.gz JCSBTCOHKNMTKW-CQSZACIVSA-N 1 2 358.354 1.947 20 5 FDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H](n4ccnn4)C3)n2)c1 ZINC000819898755 943790343 /nfs/dbraw/zinc/79/03/43/943790343.db2.gz YVSPBTOSGDPDIF-HNNXBMFYSA-N 1 2 354.374 1.739 20 5 FDBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCC[C@H](n4ccnn4)C3)n2)c1 ZINC000819898755 943790348 /nfs/dbraw/zinc/79/03/48/943790348.db2.gz YVSPBTOSGDPDIF-HNNXBMFYSA-N 1 2 354.374 1.739 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc(Br)c1[N+](=O)[O-] ZINC000820675626 944151971 /nfs/dbraw/zinc/15/19/71/944151971.db2.gz JUURDNTYVPYOTN-NSHDSACASA-N 1 2 374.235 1.487 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCc1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823381830 945708837 /nfs/dbraw/zinc/70/88/37/945708837.db2.gz GJFDAUNYPATTJN-JTQLQIEISA-N 1 2 366.378 1.457 20 5 FDBDLO Cn1nccc1[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC001176568989 963475881 /nfs/dbraw/zinc/47/58/81/963475881.db2.gz YXMHMMJRVVPPQN-INIZCTEOSA-N 1 2 359.386 1.730 20 5 FDBDLO Cn1nccc1[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC001176568989 963475885 /nfs/dbraw/zinc/47/58/85/963475885.db2.gz YXMHMMJRVVPPQN-INIZCTEOSA-N 1 2 359.386 1.730 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC001176859422 963573774 /nfs/dbraw/zinc/57/37/74/963573774.db2.gz DMPXNIBZDVCVGW-KRWDZBQOSA-N 1 2 361.402 1.612 20 5 FDBDLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)Cc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001180556685 965397119 /nfs/dbraw/zinc/39/71/19/965397119.db2.gz RVCFGBFUMHXQJI-JKSUJKDBSA-N 1 2 371.397 1.622 20 5 FDBDLO COC(=O)N(C)CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000852569827 967431792 /nfs/dbraw/zinc/43/17/92/967431792.db2.gz KEWLOZMVGCYJOG-AWEZNQCLSA-N 1 2 350.375 1.330 20 5 FDBDLO COC(=O)N(C)CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000852569827 967431798 /nfs/dbraw/zinc/43/17/98/967431798.db2.gz KEWLOZMVGCYJOG-AWEZNQCLSA-N 1 2 350.375 1.330 20 5 FDBDLO O=C(C[NH+]1CCC(N2CCOC2=O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000852722161 967552277 /nfs/dbraw/zinc/55/22/77/967552277.db2.gz RJLHWURSTXEZBI-UHFFFAOYSA-N 1 2 374.397 1.401 20 5 FDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)nc1-c1ccccn1 ZINC000853518362 968070340 /nfs/dbraw/zinc/07/03/40/968070340.db2.gz NHBRSIWWUZRDSN-CYBMUJFWSA-N 1 2 366.385 1.787 20 5 FDBDLO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)nc1-c1ccccn1 ZINC000853518362 968070349 /nfs/dbraw/zinc/07/03/49/968070349.db2.gz NHBRSIWWUZRDSN-CYBMUJFWSA-N 1 2 366.385 1.787 20 5 FDBDLO O=C1CCCN1[C@@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485485 976821137 /nfs/dbraw/zinc/82/11/37/976821137.db2.gz OIAPUEJLSYKPMN-SJORKVTESA-N 1 2 372.425 1.565 20 5 FDBDLO O=C1CCCN1[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848485485 976821148 /nfs/dbraw/zinc/82/11/48/976821148.db2.gz OIAPUEJLSYKPMN-SJORKVTESA-N 1 2 372.425 1.565 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868275863 977432935 /nfs/dbraw/zinc/43/29/35/977432935.db2.gz VVUVOASAZREEEN-TZMCWYRMSA-N 1 2 351.378 1.598 20 5 FDBDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556542 981621705 /nfs/dbraw/zinc/62/17/05/981621705.db2.gz QDINKSKMYJQACH-HNNXBMFYSA-N 1 2 364.446 1.648 20 5 FDBDLO O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000857984702 981780016 /nfs/dbraw/zinc/78/00/16/981780016.db2.gz CLBFSKSKMQQIHF-QWRGUYRKSA-N 1 2 359.342 1.250 20 5 FDBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870067974 985591825 /nfs/dbraw/zinc/59/18/25/985591825.db2.gz XDFYZZFLPLVVSB-QGZVFWFLSA-N 1 2 363.414 1.087 20 5 FDBDLO O=C1[C@@H]([N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000886806654 986594332 /nfs/dbraw/zinc/59/43/32/986594332.db2.gz XFEHDCOTJAYNLS-DZGCQCFKSA-N 1 2 373.331 1.947 20 5 FDBDLO O=C1[C@@H]([N@H+]2CC[C@@](CO)(C(F)(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000886806654 986594339 /nfs/dbraw/zinc/59/43/39/986594339.db2.gz XFEHDCOTJAYNLS-DZGCQCFKSA-N 1 2 373.331 1.947 20 5 FDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366092162 988392116 /nfs/dbraw/zinc/39/21/16/988392116.db2.gz UNDUVMYHDBFTKM-CQSZACIVSA-N 1 2 363.418 1.169 20 5 FDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366092162 988392127 /nfs/dbraw/zinc/39/21/27/988392127.db2.gz UNDUVMYHDBFTKM-CQSZACIVSA-N 1 2 363.418 1.169 20 5 FDBDLO CN(C(=O)C[NH+]1CCC(NC(=O)C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000363642470 989362933 /nfs/dbraw/zinc/36/29/33/989362933.db2.gz AKGVAQWNFWJXGA-UHFFFAOYSA-N 1 2 374.441 1.938 20 5 FDBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000874702300 990460658 /nfs/dbraw/zinc/46/06/58/990460658.db2.gz KFKBPNYLKPUGPF-AWEZNQCLSA-N 1 2 350.419 1.258 20 5 FDBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000874702300 990460660 /nfs/dbraw/zinc/46/06/60/990460660.db2.gz KFKBPNYLKPUGPF-AWEZNQCLSA-N 1 2 350.419 1.258 20 5 FDBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874893541 990600660 /nfs/dbraw/zinc/60/06/60/990600660.db2.gz SZVBRZJYJRLDGN-CQSZACIVSA-N 1 2 360.345 1.069 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874896321 990605066 /nfs/dbraw/zinc/60/50/66/990605066.db2.gz LCCXLGYMKABYCW-OAHLLOKOSA-N 1 2 361.377 1.802 20 5 FDBDLO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000825827225 992147884 /nfs/dbraw/zinc/14/78/84/992147884.db2.gz PMPDFFMBFSNUFI-SJORKVTESA-N 1 2 363.414 1.342 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCO1 ZINC000412289095 992901135 /nfs/dbraw/zinc/90/11/35/992901135.db2.gz MIBBFYHHRKQWSM-GFCCVEGCSA-N 1 2 369.393 1.512 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCO1 ZINC000412289095 992901138 /nfs/dbraw/zinc/90/11/38/992901138.db2.gz MIBBFYHHRKQWSM-GFCCVEGCSA-N 1 2 369.393 1.512 20 5 FDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000925600931 995689208 /nfs/dbraw/zinc/68/92/08/995689208.db2.gz XUZQVGMOQBWUBN-MRXNPFEDSA-N 1 2 364.446 1.890 20 5 FDBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000925604458 995693610 /nfs/dbraw/zinc/69/36/10/995693610.db2.gz YXPBHLNCXRBNSG-MRXNPFEDSA-N 1 2 364.446 1.890 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000267370684 999321412 /nfs/dbraw/zinc/32/14/12/999321412.db2.gz MHQOYNLPRMNBAS-LBPRGKRZSA-N 1 2 357.370 1.971 20 5 FDBDLO COCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000270385554 999551233 /nfs/dbraw/zinc/55/12/33/999551233.db2.gz QZIUFKIFEUBQLP-GFCCVEGCSA-N 1 2 367.402 1.404 20 5 FDBDLO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000284126469 999777678 /nfs/dbraw/zinc/77/76/78/999777678.db2.gz VFWXQEXNEOKEJJ-UHFFFAOYSA-N 1 2 360.418 1.642 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284311685 999804261 /nfs/dbraw/zinc/80/42/61/999804261.db2.gz PEGBDPQPMRBTPD-CQSZACIVSA-N 1 2 373.417 1.780 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc(N)n(C)n1 ZINC000284311685 999804263 /nfs/dbraw/zinc/80/42/63/999804263.db2.gz PEGBDPQPMRBTPD-CQSZACIVSA-N 1 2 373.417 1.780 20 5 FDBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CC[NH+](Cc3nccs3)CC2)C1 ZINC000949091870 1002982235 /nfs/dbraw/zinc/98/22/35/1002982235.db2.gz HVXCAHPQVIISKR-CHWSQXEVSA-N 1 2 366.443 1.002 20 5 FDBDLO CN(CC[NH+]1CCOCC1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931640221 1004350023 /nfs/dbraw/zinc/35/00/23/1004350023.db2.gz DZHOKFYPSQJEPU-UHFFFAOYSA-N 1 2 355.822 1.971 20 5 FDBDLO O=C(OC[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000778334299 1005914092 /nfs/dbraw/zinc/91/40/92/1005914092.db2.gz CEUSFDZEMBBVKA-NSHDSACASA-N 1 2 365.367 1.372 20 5 FDBDLO C[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCOC1 ZINC000795424493 1006869922 /nfs/dbraw/zinc/86/99/22/1006869922.db2.gz SXPWAFPYJYCQHV-SNVBAGLBSA-N 1 2 370.203 1.991 20 5 FDBDLO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCOC1 ZINC000795424493 1006869937 /nfs/dbraw/zinc/86/99/37/1006869937.db2.gz SXPWAFPYJYCQHV-SNVBAGLBSA-N 1 2 370.203 1.991 20 5 FDBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000950055944 1008702499 /nfs/dbraw/zinc/70/24/99/1008702499.db2.gz ROEONQWBNXEWIU-IAGOWNOFSA-N 1 2 359.426 1.362 20 5 FDBDLO COC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000192647645 178125512 /nfs/dbraw/zinc/12/55/12/178125512.db2.gz VHZISCZGTKSGNB-QWHCGFSZSA-N 1 2 358.354 1.852 20 5 FDBDLO CCOC1CC(CNC(=O)c2ccc([N+](=O)[O-])o2)([NH+]2CCOCC2)C1 ZINC000195182743 178246025 /nfs/dbraw/zinc/24/60/25/178246025.db2.gz SJQXNTPHUVRHQT-UHFFFAOYSA-N 1 2 353.375 1.188 20 5 FDBDLO C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1O ZINC000509467885 538949715 /nfs/dbraw/zinc/94/97/15/538949715.db2.gz YVXWTQCJHVRVJA-YGRLFVJLSA-N 1 2 362.411 1.969 20 5 FDBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@@H]1O ZINC000509467885 538949716 /nfs/dbraw/zinc/94/97/16/538949716.db2.gz YVXWTQCJHVRVJA-YGRLFVJLSA-N 1 2 362.411 1.969 20 5 FDBDLO O=C(C1CC1)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000513699904 539003370 /nfs/dbraw/zinc/00/33/70/539003370.db2.gz DWTCSVHLSRRIBJ-MRXNPFEDSA-N 1 2 370.365 1.601 20 5 FDBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)CC1 ZINC000264452659 179111574 /nfs/dbraw/zinc/11/15/74/179111574.db2.gz QAAIKYXDNGLHAD-HNNXBMFYSA-N 1 2 371.441 1.928 20 5 FDBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000264506941 179125849 /nfs/dbraw/zinc/12/58/49/179125849.db2.gz WVNISYSSAXHQRO-INIZCTEOSA-N 1 2 355.398 1.647 20 5 FDBDLO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000264555519 179134272 /nfs/dbraw/zinc/13/42/72/179134272.db2.gz ZTEMKSZTWYUWDX-CQSZACIVSA-N 1 2 373.413 1.511 20 5 FDBDLO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000264555519 179134274 /nfs/dbraw/zinc/13/42/74/179134274.db2.gz ZTEMKSZTWYUWDX-CQSZACIVSA-N 1 2 373.413 1.511 20 5 FDBDLO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264749827 179188569 /nfs/dbraw/zinc/18/85/69/179188569.db2.gz KWOVPIJWSALSAI-ZDUSSCGKSA-N 1 2 369.443 1.603 20 5 FDBDLO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264749827 179188573 /nfs/dbraw/zinc/18/85/73/179188573.db2.gz KWOVPIJWSALSAI-ZDUSSCGKSA-N 1 2 369.443 1.603 20 5 FDBDLO O=C(CN1CCC(n2cc[nH+]c2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264759597 179191096 /nfs/dbraw/zinc/19/10/96/179191096.db2.gz XPUDLMPPVLWGSD-UHFFFAOYSA-N 1 2 373.369 1.796 20 5 FDBDLO COCC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000264816157 179210026 /nfs/dbraw/zinc/21/00/26/179210026.db2.gz CMWUVYTZSBPBTK-UHFFFAOYSA-N 1 2 351.359 1.620 20 5 FDBDLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265166288 179303462 /nfs/dbraw/zinc/30/34/62/179303462.db2.gz XJULDRLIAMPHGN-ZWKOTPCHSA-N 1 2 374.441 1.497 20 5 FDBDLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265166288 179303464 /nfs/dbraw/zinc/30/34/64/179303464.db2.gz XJULDRLIAMPHGN-ZWKOTPCHSA-N 1 2 374.441 1.497 20 5 FDBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265429883 179374610 /nfs/dbraw/zinc/37/46/10/179374610.db2.gz MPHKCJKXVXFFQT-UHFFFAOYSA-N 1 2 370.413 1.548 20 5 FDBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265429883 179374611 /nfs/dbraw/zinc/37/46/11/179374611.db2.gz MPHKCJKXVXFFQT-UHFFFAOYSA-N 1 2 370.413 1.548 20 5 FDBDLO CN(CCCn1cc[nH+]c1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268978953 180191299 /nfs/dbraw/zinc/19/12/99/180191299.db2.gz IMMNZGDAWXFVHU-UHFFFAOYSA-N 1 2 359.386 1.460 20 5 FDBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000269046522 180205449 /nfs/dbraw/zinc/20/54/49/180205449.db2.gz FOPYYUVRYWXSAZ-UHFFFAOYSA-N 1 2 373.417 1.676 20 5 FDBDLO COc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000273012043 180846481 /nfs/dbraw/zinc/84/64/81/180846481.db2.gz ZGCCGGUAYIYJPL-NSHDSACASA-N 1 2 373.369 1.671 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274951635 181204452 /nfs/dbraw/zinc/20/44/52/181204452.db2.gz HDMANWLZWXBSBR-SNVBAGLBSA-N 1 2 373.369 1.072 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274951635 181204455 /nfs/dbraw/zinc/20/44/55/181204455.db2.gz HDMANWLZWXBSBR-SNVBAGLBSA-N 1 2 373.369 1.072 20 5 FDBDLO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000275156089 181251564 /nfs/dbraw/zinc/25/15/64/181251564.db2.gz STWVRPCGKBIYBI-UHFFFAOYSA-N 1 2 358.354 1.359 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)C1 ZINC000533288982 540226385 /nfs/dbraw/zinc/22/63/85/540226385.db2.gz MFGJZVVVHKKHAH-JNDILOIQSA-N 1 2 355.416 1.385 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)C1 ZINC000533288982 540226386 /nfs/dbraw/zinc/22/63/86/540226386.db2.gz MFGJZVVVHKKHAH-JNDILOIQSA-N 1 2 355.416 1.385 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000534196182 540333871 /nfs/dbraw/zinc/33/38/71/540333871.db2.gz XQLSWQFFZCCNBM-GFCCVEGCSA-N 1 2 369.443 1.996 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000535720735 540498052 /nfs/dbraw/zinc/49/80/52/540498052.db2.gz HCCKXZWZKYAENR-ZDUSSCGKSA-N 1 2 359.386 1.231 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000535720735 540498058 /nfs/dbraw/zinc/49/80/58/540498058.db2.gz HCCKXZWZKYAENR-ZDUSSCGKSA-N 1 2 359.386 1.231 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)N(C)C ZINC000537708600 540762772 /nfs/dbraw/zinc/76/27/72/540762772.db2.gz PCLITXXLGMKION-LLVKDONJSA-N 1 2 367.406 1.133 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C ZINC000537708600 540762775 /nfs/dbraw/zinc/76/27/75/540762775.db2.gz PCLITXXLGMKION-LLVKDONJSA-N 1 2 367.406 1.133 20 5 FDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000539861623 541001398 /nfs/dbraw/zinc/00/13/98/541001398.db2.gz WAOJWFPGWSOINT-LBPRGKRZSA-N 1 2 373.431 1.126 20 5 FDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000539861623 541001399 /nfs/dbraw/zinc/00/13/99/541001399.db2.gz WAOJWFPGWSOINT-LBPRGKRZSA-N 1 2 373.431 1.126 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1SC ZINC000275492055 181332058 /nfs/dbraw/zinc/33/20/58/181332058.db2.gz WNRMLDDOYCEFEB-LLVKDONJSA-N 1 2 369.443 1.464 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541051254 541143155 /nfs/dbraw/zinc/14/31/55/541143155.db2.gz GOSYKQFLFLMYGI-LLVKDONJSA-N 1 2 355.192 1.914 20 5 FDBDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000541226050 541172314 /nfs/dbraw/zinc/17/23/14/541172314.db2.gz RPMVUWYHVDKDLJ-AWEZNQCLSA-N 1 2 357.370 1.249 20 5 FDBDLO COC(=O)[C@H](C)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541352111 541191410 /nfs/dbraw/zinc/19/14/10/541191410.db2.gz JBBFQWVMOUIISZ-GFCCVEGCSA-N 1 2 370.427 1.642 20 5 FDBDLO COC(=O)[C@H](C)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000541352111 541191412 /nfs/dbraw/zinc/19/14/12/541191412.db2.gz JBBFQWVMOUIISZ-GFCCVEGCSA-N 1 2 370.427 1.642 20 5 FDBDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000541625821 541237170 /nfs/dbraw/zinc/23/71/70/541237170.db2.gz MTQSNHQAEJIWFE-BBRMVZONSA-N 1 2 352.387 1.922 20 5 FDBDLO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH+]ccn2c1 ZINC000541654394 541241157 /nfs/dbraw/zinc/24/11/57/541241157.db2.gz RVOMVSKOMRJQGH-UHFFFAOYSA-N 1 2 374.378 1.446 20 5 FDBDLO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543609174 541620147 /nfs/dbraw/zinc/62/01/47/541620147.db2.gz NPJKMOGPIIERIV-OAHLLOKOSA-N 1 2 369.443 1.359 20 5 FDBDLO CCC[N@H+]1CCC[C@@H]1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543609174 541620150 /nfs/dbraw/zinc/62/01/50/541620150.db2.gz NPJKMOGPIIERIV-OAHLLOKOSA-N 1 2 369.443 1.359 20 5 FDBDLO CC(C)(CS(C)(=O)=O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000544779975 541829005 /nfs/dbraw/zinc/82/90/05/541829005.db2.gz ZCUYPOSIWCSRFT-UHFFFAOYSA-N 1 2 366.399 1.334 20 5 FDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000283787784 182274743 /nfs/dbraw/zinc/27/47/43/182274743.db2.gz GGGBRVLAJDMTEZ-CYBMUJFWSA-N 1 2 371.397 1.487 20 5 FDBDLO CSc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284075128 182356970 /nfs/dbraw/zinc/35/69/70/182356970.db2.gz MDZZVIBPFBXFLA-ZIAGYGMSSA-N 1 2 351.428 1.862 20 5 FDBDLO CSc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284075128 182356972 /nfs/dbraw/zinc/35/69/72/182356972.db2.gz MDZZVIBPFBXFLA-ZIAGYGMSSA-N 1 2 351.428 1.862 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000286411570 183059708 /nfs/dbraw/zinc/05/97/08/183059708.db2.gz QHVVMYYIEFCKEB-XJKSGUPXSA-N 1 2 374.441 1.786 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000287633551 183341887 /nfs/dbraw/zinc/34/18/87/183341887.db2.gz ZSIQBKUKCLIEFJ-RYUDHWBXSA-N 1 2 351.407 1.206 20 5 FDBDLO CCCc1[nH]nc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000287633551 183341890 /nfs/dbraw/zinc/34/18/90/183341890.db2.gz ZSIQBKUKCLIEFJ-RYUDHWBXSA-N 1 2 351.407 1.206 20 5 FDBDLO COc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000287610634 183335990 /nfs/dbraw/zinc/33/59/90/183335990.db2.gz STAXIGHITNJLGW-MRXNPFEDSA-N 1 2 363.414 1.721 20 5 FDBDLO COc1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1[N+](=O)[O-] ZINC000287610634 183335992 /nfs/dbraw/zinc/33/59/92/183335992.db2.gz STAXIGHITNJLGW-MRXNPFEDSA-N 1 2 363.414 1.721 20 5 FDBDLO Cc1cc(N2CCC(O)(C(N)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000293026439 183961425 /nfs/dbraw/zinc/96/14/25/183961425.db2.gz JMWJFCZBSKUFGF-UHFFFAOYSA-N 1 2 357.370 1.177 20 5 FDBDLO COC(=O)Cc1ccc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000297094794 184234087 /nfs/dbraw/zinc/23/40/87/184234087.db2.gz KVNGVVAHDKILPA-OLZOCXBDSA-N 1 2 351.403 1.831 20 5 FDBDLO Nc1nccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000548056014 542541918 /nfs/dbraw/zinc/54/19/18/542541918.db2.gz CNVYTHOJTJEEPG-CQSZACIVSA-N 1 2 371.397 1.203 20 5 FDBDLO Nc1nccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1[N+](=O)[O-] ZINC000548056014 542541923 /nfs/dbraw/zinc/54/19/23/542541923.db2.gz CNVYTHOJTJEEPG-CQSZACIVSA-N 1 2 371.397 1.203 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCc3nn(C)c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000172795412 258285579 /nfs/dbraw/zinc/28/55/79/258285579.db2.gz GYRXGSXMYRKFPK-GFCCVEGCSA-N 1 2 371.397 1.382 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCc3nn(C)c(=O)cc3C2)cccc1[N+](=O)[O-] ZINC000172795412 258285580 /nfs/dbraw/zinc/28/55/80/258285580.db2.gz GYRXGSXMYRKFPK-GFCCVEGCSA-N 1 2 371.397 1.382 20 5 FDBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000548927673 542809076 /nfs/dbraw/zinc/80/90/76/542809076.db2.gz KVKCLEVLKNLPKA-HNNXBMFYSA-N 1 2 359.386 1.430 20 5 FDBDLO 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365.386 1.960 20 5 FDBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1c1nccn2cnnc12 ZINC000269670866 180356885 /nfs/dbraw/zinc/35/68/85/180356885.db2.gz RFBOEZRGJUISAL-LBPRGKRZSA-N 1 2 371.376 1.882 20 5 FDBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1c1nccn2cnnc12 ZINC000269670866 180356886 /nfs/dbraw/zinc/35/68/86/180356886.db2.gz RFBOEZRGJUISAL-LBPRGKRZSA-N 1 2 371.376 1.882 20 5 FDBDLO CCn1cc(C[N@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cn1 ZINC000530499968 539986752 /nfs/dbraw/zinc/98/67/52/539986752.db2.gz PFOLMUUUHAZMJA-UHFFFAOYSA-N 1 2 362.386 1.995 20 5 FDBDLO CCn1cc(C[N@@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cn1 ZINC000530499968 539986753 /nfs/dbraw/zinc/98/67/53/539986753.db2.gz PFOLMUUUHAZMJA-UHFFFAOYSA-N 1 2 362.386 1.995 20 5 FDBDLO Cc1nc(N2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC2)cc[nH+]1 ZINC000274129029 181030478 /nfs/dbraw/zinc/03/04/78/181030478.db2.gz CDPMMNCJXJERMK-UHFFFAOYSA-N 1 2 371.353 1.384 20 5 FDBDLO O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)CCC[NH+]1CCOCC1 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Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416651982 679705954 /nfs/dbraw/zinc/70/59/54/679705954.db2.gz BLABOKUVIAABTJ-ZIAGYGMSSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416651982 679705958 /nfs/dbraw/zinc/70/59/58/679705958.db2.gz BLABOKUVIAABTJ-ZIAGYGMSSA-N 1 2 371.459 1.287 20 5 FDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000369682448 677509707 /nfs/dbraw/zinc/50/97/07/677509707.db2.gz SLFXHWOCKDRTPU-CYBMUJFWSA-N 1 2 364.383 1.295 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000371284997 677657765 /nfs/dbraw/zinc/65/77/65/677657765.db2.gz WTLJUGOXQBWBKT-KBPBESRZSA-N 1 2 369.443 1.435 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000371284997 677657775 /nfs/dbraw/zinc/65/77/75/677657775.db2.gz WTLJUGOXQBWBKT-KBPBESRZSA-N 1 2 369.443 1.435 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000375933623 678199469 /nfs/dbraw/zinc/19/94/69/678199469.db2.gz PLKDQSOUJKZQKG-LBPRGKRZSA-N 1 2 350.400 1.897 20 5 FDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000377495058 678548497 /nfs/dbraw/zinc/54/84/97/678548497.db2.gz QGPMKLOCVMYBBY-VHSXEESVSA-N 1 2 354.794 1.773 20 5 FDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000377495058 678548500 /nfs/dbraw/zinc/54/85/00/678548500.db2.gz QGPMKLOCVMYBBY-VHSXEESVSA-N 1 2 354.794 1.773 20 5 FDBDLO NC(=O)C1([NH+]2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)CCCC1 ZINC000377583237 678567480 /nfs/dbraw/zinc/56/74/80/678567480.db2.gz NOOAPLZOJFXTIS-UHFFFAOYSA-N 1 2 364.431 1.224 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000412552085 679196119 /nfs/dbraw/zinc/19/61/19/679196119.db2.gz MHUXCOFDQVSANM-UHFFFAOYSA-N 1 2 351.403 1.322 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000413004711 679229684 /nfs/dbraw/zinc/22/96/84/679229684.db2.gz XQGVZIWGBROUBX-NSHDSACASA-N 1 2 364.427 1.655 20 5 FDBDLO C[C@H]1COCC[N@H+]1CCSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000413004711 679229688 /nfs/dbraw/zinc/22/96/88/679229688.db2.gz XQGVZIWGBROUBX-NSHDSACASA-N 1 2 364.427 1.655 20 5 FDBDLO Cc1cc(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421551752 680664310 /nfs/dbraw/zinc/66/43/10/680664310.db2.gz AKSWUTAVPUOXRT-UHFFFAOYSA-N 1 2 363.395 1.940 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000426405692 680957002 /nfs/dbraw/zinc/95/70/02/680957002.db2.gz NAQOOAUVHIQYOV-OAHLLOKOSA-N 1 2 350.419 1.813 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000426405692 680957003 /nfs/dbraw/zinc/95/70/03/680957003.db2.gz NAQOOAUVHIQYOV-OAHLLOKOSA-N 1 2 350.419 1.813 20 5 FDBDLO O=C(NC[C@H]1CC[NH2+]CC1(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449650905 682694430 /nfs/dbraw/zinc/69/44/30/682694430.db2.gz MIBNPWMRGHYBCF-SECBINFHSA-N 1 2 357.313 1.341 20 5 FDBDLO COC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000451931344 682971582 /nfs/dbraw/zinc/97/15/82/682971582.db2.gz ROPUWVRTQLPLAH-ZBEGNZNMSA-N 1 2 371.821 1.906 20 5 FDBDLO COC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000451931344 682971584 /nfs/dbraw/zinc/97/15/84/682971584.db2.gz ROPUWVRTQLPLAH-ZBEGNZNMSA-N 1 2 371.821 1.906 20 5 FDBDLO C[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)[NH+]1CCSCC1 ZINC000461414418 684578081 /nfs/dbraw/zinc/57/80/81/684578081.db2.gz UDQLHLINRWMECY-LBPRGKRZSA-N 1 2 351.428 1.753 20 5 FDBDLO COc1ccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000481027047 686282868 /nfs/dbraw/zinc/28/28/68/686282868.db2.gz UPAFQQFGQCEXBB-UHFFFAOYSA-N 1 2 352.372 1.865 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000487500389 686985827 /nfs/dbraw/zinc/98/58/27/686985827.db2.gz MPYVEAOZIFJMFP-GFCCVEGCSA-N 1 2 357.357 1.643 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000487500389 686985830 /nfs/dbraw/zinc/98/58/30/686985830.db2.gz MPYVEAOZIFJMFP-GFCCVEGCSA-N 1 2 357.357 1.643 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000488355162 687040107 /nfs/dbraw/zinc/04/01/07/687040107.db2.gz XWULYWSBPQDNPD-CHWSQXEVSA-N 1 2 369.443 1.566 20 5 FDBDLO COc1cc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)ccc1[N+](=O)[O-] ZINC000490028765 687127476 /nfs/dbraw/zinc/12/74/76/687127476.db2.gz HCDSPLPHXIJBCW-NSHDSACASA-N 1 2 352.309 1.711 20 5 FDBDLO COc1cc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)ccc1[N+](=O)[O-] ZINC000490028765 687127478 /nfs/dbraw/zinc/12/74/78/687127478.db2.gz HCDSPLPHXIJBCW-NSHDSACASA-N 1 2 352.309 1.711 20 5 FDBDLO COC(=O)C(C)(C)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000494432355 687543207 /nfs/dbraw/zinc/54/32/07/687543207.db2.gz SRGFGEXGCBPLFF-UHFFFAOYSA-N 1 2 351.403 1.543 20 5 FDBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000503638050 688373732 /nfs/dbraw/zinc/37/37/32/688373732.db2.gz REXPYOTZEFSTQV-AWEZNQCLSA-N 1 2 364.471 1.827 20 5 FDBDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000507907887 688689482 /nfs/dbraw/zinc/68/94/82/688689482.db2.gz IQFKKBGTODLWCC-GHMZBOCLSA-N 1 2 371.415 1.079 20 5 FDBDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000507907887 688689485 /nfs/dbraw/zinc/68/94/85/688689485.db2.gz IQFKKBGTODLWCC-GHMZBOCLSA-N 1 2 371.415 1.079 20 5 FDBDLO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513471591 689680113 /nfs/dbraw/zinc/68/01/13/689680113.db2.gz OYESLTYYSXPPIW-NSHDSACASA-N 1 2 355.416 1.165 20 5 FDBDLO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513471591 689680116 /nfs/dbraw/zinc/68/01/16/689680116.db2.gz OYESLTYYSXPPIW-NSHDSACASA-N 1 2 355.416 1.165 20 5 FDBDLO C[C@H]1[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000513667688 689692883 /nfs/dbraw/zinc/69/28/83/689692883.db2.gz VOQBTHVIOGGWTG-JQWIXIFHSA-N 1 2 355.416 1.211 20 5 FDBDLO C[C@H]1[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000513667688 689692887 /nfs/dbraw/zinc/69/28/87/689692887.db2.gz VOQBTHVIOGGWTG-JQWIXIFHSA-N 1 2 355.416 1.211 20 5 FDBDLO COc1cc(OCC(=O)O[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000784906534 769045614 /nfs/dbraw/zinc/04/56/14/769045614.db2.gz IQWSIHUKYLHZTL-GFCCVEGCSA-N 1 2 354.359 1.246 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000784918967 769294803 /nfs/dbraw/zinc/29/48/03/769294803.db2.gz TUQPAUNRCUKWGN-LLVKDONJSA-N 1 2 361.354 1.726 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000784921714 769378754 /nfs/dbraw/zinc/37/87/54/769378754.db2.gz MZPXXXRUNPZQCU-GFCCVEGCSA-N 1 2 367.358 1.700 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000275961224 774771735 /nfs/dbraw/zinc/77/17/35/774771735.db2.gz MVZBTFVVWQPOTQ-CJNGLKHVSA-N 1 2 360.418 1.591 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1 ZINC000275961224 774771743 /nfs/dbraw/zinc/77/17/43/774771743.db2.gz MVZBTFVVWQPOTQ-CJNGLKHVSA-N 1 2 360.418 1.591 20 5 FDBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3cccs3)o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064564 777711451 /nfs/dbraw/zinc/71/14/51/777711451.db2.gz JOICVJYQBNHWKG-LMLFDSFASA-N 1 2 363.399 1.200 20 5 FDBDLO COc1cc(C[NH+]2CCN(Cn3nccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000177168649 785146257 /nfs/dbraw/zinc/14/62/57/785146257.db2.gz NRHDXOCYEACKHW-UHFFFAOYSA-N 1 2 361.402 1.584 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3nsc4ccccc43)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778118 791981673 /nfs/dbraw/zinc/98/16/73/791981673.db2.gz RGTLWKLRHNYYQN-NMQNIBJMSA-N 1 2 358.423 1.508 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3nsc4ccccc43)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778118 791981699 /nfs/dbraw/zinc/98/16/99/791981699.db2.gz RGTLWKLRHNYYQN-NMQNIBJMSA-N 1 2 358.423 1.508 20 5 FDBDLO O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000378213470 793719986 /nfs/dbraw/zinc/71/99/86/793719986.db2.gz WUGRMGWIUNBDMH-BZUAXINKSA-N 1 2 355.398 1.934 20 5 FDBDLO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000378213470 793719989 /nfs/dbraw/zinc/71/99/89/793719989.db2.gz WUGRMGWIUNBDMH-BZUAXINKSA-N 1 2 355.398 1.934 20 5 FDBDLO CNc1c(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)cccc1[N+](=O)[O-] ZINC000412374418 794209588 /nfs/dbraw/zinc/20/95/88/794209588.db2.gz TYVQXSVJAAQHCN-LBPRGKRZSA-N 1 2 364.402 1.251 20 5 FDBDLO CNc1c(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)cccc1[N+](=O)[O-] ZINC000412374418 794209594 /nfs/dbraw/zinc/20/95/94/794209594.db2.gz TYVQXSVJAAQHCN-LBPRGKRZSA-N 1 2 364.402 1.251 20 5 FDBDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000412434489 794864150 /nfs/dbraw/zinc/86/41/50/794864150.db2.gz HZCATDZWLFFLAE-UHFFFAOYSA-N 1 2 367.402 1.023 20 5 FDBDLO O=Cc1ccc(OCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000365913313 795737291 /nfs/dbraw/zinc/73/72/91/795737291.db2.gz ZUPXLRPVHQHPCF-UHFFFAOYSA-N 1 2 358.354 1.915 20 5 FDBDLO O=Cc1ccc(OCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000365913313 795737296 /nfs/dbraw/zinc/73/72/96/795737296.db2.gz ZUPXLRPVHQHPCF-UHFFFAOYSA-N 1 2 358.354 1.915 20 5 FDBDLO CC(C)c1ocnc1C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981765107 808451633 /nfs/dbraw/zinc/45/16/33/808451633.db2.gz PXRMWWITOWLWDT-UKRRQHHQSA-N 1 2 362.430 1.888 20 5 FDBDLO CC(C)c1ocnc1C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981765107 808451635 /nfs/dbraw/zinc/45/16/35/808451635.db2.gz PXRMWWITOWLWDT-UKRRQHHQSA-N 1 2 362.430 1.888 20 5 FDBDLO Cc1nc([C@](C)([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000433307441 810417147 /nfs/dbraw/zinc/41/71/47/810417147.db2.gz UWJQARTXKYTROU-SUMWQHHRSA-N 1 2 362.386 1.941 20 5 FDBDLO CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000424958577 815487130 /nfs/dbraw/zinc/48/71/30/815487130.db2.gz IUYHHPUICNRHBI-LBPRGKRZSA-N 1 2 357.370 1.379 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@H](n2ccnn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000425500484 816385195 /nfs/dbraw/zinc/38/51/95/816385195.db2.gz LYCVVSFEPLFVLC-HNNXBMFYSA-N 1 2 356.386 1.413 20 5 FDBDLO O=C(C[N@H+]1CCC[C@H](n2ccnn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000425500484 816385202 /nfs/dbraw/zinc/38/52/02/816385202.db2.gz LYCVVSFEPLFVLC-HNNXBMFYSA-N 1 2 356.386 1.413 20 5 FDBDLO Cc1c(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000439001545 817827143 /nfs/dbraw/zinc/82/71/43/817827143.db2.gz YDMCRWPQGXCCPM-UHFFFAOYSA-N 1 2 373.413 1.613 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428010973 820877355 /nfs/dbraw/zinc/87/73/55/820877355.db2.gz YMYUPJGKNNJRDW-WCQYABFASA-N 1 2 357.370 1.041 20 5 FDBDLO C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 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C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CCCO1 ZINC000738163581 925130455 /nfs/dbraw/zinc/13/04/55/925130455.db2.gz ZVTJZEZTQREXEX-SJCJKPOMSA-N 1 2 362.386 1.430 20 5 FDBDLO C[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CCCO1 ZINC000738163581 925130457 /nfs/dbraw/zinc/13/04/57/925130457.db2.gz ZVTJZEZTQREXEX-SJCJKPOMSA-N 1 2 362.386 1.430 20 5 FDBDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 ZINC000741983010 925903260 /nfs/dbraw/zinc/90/32/60/925903260.db2.gz QCWTYCWUIGAWHH-UHFFFAOYSA-N 1 2 373.417 1.038 20 5 FDBDLO CCCCc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086082699 925917840 /nfs/dbraw/zinc/91/78/40/925917840.db2.gz AJKJZOVQMZWDNG-YVECIDJPSA-N 1 2 351.407 1.062 20 5 FDBDLO O=C(NC[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363274 926830523 /nfs/dbraw/zinc/83/05/23/926830523.db2.gz LGIDTNAZQZPTAS-HJQYOEGKSA-N 1 2 351.432 1.065 20 5 FDBDLO 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374.323 1.907 20 5 FDBDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000264706794 179174332 /nfs/dbraw/zinc/17/43/32/179174332.db2.gz DZDYFJCDODVNHT-OAHLLOKOSA-N 1 2 359.382 1.861 20 5 FDBDLO Cc1n[nH]c(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000264750689 179188149 /nfs/dbraw/zinc/18/81/49/179188149.db2.gz MBEFKPZAQWYMEL-OAHLLOKOSA-N 1 2 373.413 1.300 20 5 FDBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000265171466 179305083 /nfs/dbraw/zinc/30/50/83/179305083.db2.gz YRCAHODGFSHSTE-GFCCVEGCSA-N 1 2 356.386 1.367 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000265214898 179314426 /nfs/dbraw/zinc/31/44/26/179314426.db2.gz MYPSJOQWZYZBEV-OCCSQVGLSA-N 1 2 367.402 1.404 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCCO)C1 ZINC000265214898 179314429 /nfs/dbraw/zinc/31/44/29/179314429.db2.gz MYPSJOQWZYZBEV-OCCSQVGLSA-N 1 2 367.402 1.404 20 5 FDBDLO CN1CC[N@H+](C)[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000265377738 179358892 /nfs/dbraw/zinc/35/88/92/179358892.db2.gz PPENQDSLSDPENM-CYBMUJFWSA-N 1 2 370.837 1.379 20 5 FDBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000265377738 179358894 /nfs/dbraw/zinc/35/88/94/179358894.db2.gz PPENQDSLSDPENM-CYBMUJFWSA-N 1 2 370.837 1.379 20 5 FDBDLO COCCc1noc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000268316793 180050672 /nfs/dbraw/zinc/05/06/72/180050672.db2.gz ZEHWONLOJITWLA-UHFFFAOYSA-N 1 2 366.374 1.686 20 5 FDBDLO COCCc1noc(C[N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000268316793 180050674 /nfs/dbraw/zinc/05/06/74/180050674.db2.gz ZEHWONLOJITWLA-UHFFFAOYSA-N 1 2 366.374 1.686 20 5 FDBDLO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cn1 ZINC000269177547 180235151 /nfs/dbraw/zinc/23/51/51/180235151.db2.gz KFMYGWSANZPWGW-UHFFFAOYSA-N 1 2 359.386 1.382 20 5 FDBDLO Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cn1 ZINC000269177547 180235155 /nfs/dbraw/zinc/23/51/55/180235155.db2.gz KFMYGWSANZPWGW-UHFFFAOYSA-N 1 2 359.386 1.382 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000269466797 180309688 /nfs/dbraw/zinc/30/96/88/180309688.db2.gz IICJFIXHJROLLW-SNVBAGLBSA-N 1 2 366.447 1.690 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000269466797 180309689 /nfs/dbraw/zinc/30/96/89/180309689.db2.gz IICJFIXHJROLLW-SNVBAGLBSA-N 1 2 366.447 1.690 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)OC)c([N+](=O)[O-])c1 ZINC000269668880 180355752 /nfs/dbraw/zinc/35/57/52/180355752.db2.gz QSVZZPYAYIKGPE-GFCCVEGCSA-N 1 2 365.386 1.960 20 5 FDBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)OC)c([N+](=O)[O-])c1 ZINC000269668880 180355754 /nfs/dbraw/zinc/35/57/54/180355754.db2.gz QSVZZPYAYIKGPE-GFCCVEGCSA-N 1 2 365.386 1.960 20 5 FDBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCN1c1nccn2cnnc12 ZINC000269696832 180364128 /nfs/dbraw/zinc/36/41/28/180364128.db2.gz XPUVYVMTCVBNLV-LLVKDONJSA-N 1 2 359.415 1.805 20 5 FDBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCN1c1nccn2cnnc12 ZINC000269696832 180364130 /nfs/dbraw/zinc/36/41/30/180364130.db2.gz XPUVYVMTCVBNLV-LLVKDONJSA-N 1 2 359.415 1.805 20 5 FDBDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000271171604 180582454 /nfs/dbraw/zinc/58/24/54/180582454.db2.gz MGSGVTIRAHCWHA-UHFFFAOYSA-N 1 2 358.358 1.543 20 5 FDBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000274258940 181057823 /nfs/dbraw/zinc/05/78/23/181057823.db2.gz JPWIISWBPCJLMW-UHFFFAOYSA-N 1 2 363.418 1.625 20 5 FDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCCn1cc[nH+]c1 ZINC000530824564 540051129 /nfs/dbraw/zinc/05/11/29/540051129.db2.gz VCMPYQAAPPMBBI-ZDUSSCGKSA-N 1 2 363.422 1.620 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486637676 538540298 /nfs/dbraw/zinc/54/02/98/538540298.db2.gz QIPXOKYQCCAKIA-AWEZNQCLSA-N 1 2 357.432 1.564 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000486637676 538540304 /nfs/dbraw/zinc/54/03/04/538540304.db2.gz QIPXOKYQCCAKIA-AWEZNQCLSA-N 1 2 357.432 1.564 20 5 FDBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000537606337 540751108 /nfs/dbraw/zinc/75/11/08/540751108.db2.gz IMVJBOYRYFPPTK-UHFFFAOYSA-N 1 2 353.338 1.984 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000539498050 540966735 /nfs/dbraw/zinc/96/67/35/540966735.db2.gz UDAYCZDWYLSZLY-CQSZACIVSA-N 1 2 351.403 1.509 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000539498050 540966737 /nfs/dbraw/zinc/96/67/37/540966737.db2.gz UDAYCZDWYLSZLY-CQSZACIVSA-N 1 2 351.403 1.509 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C ZINC000540880364 541106192 /nfs/dbraw/zinc/10/61/92/541106192.db2.gz BTHVPMIYQKOIGG-LLVKDONJSA-N 1 2 350.375 1.008 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C ZINC000540880364 541106196 /nfs/dbraw/zinc/10/61/96/541106196.db2.gz BTHVPMIYQKOIGG-LLVKDONJSA-N 1 2 350.375 1.008 20 5 FDBDLO CCOC(=O)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000541081585 541147976 /nfs/dbraw/zinc/14/79/76/541147976.db2.gz HQEIYBAVZVIHHI-BBRMVZONSA-N 1 2 352.387 1.922 20 5 FDBDLO CCOC(=O)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000541081599 541148088 /nfs/dbraw/zinc/14/80/88/541148088.db2.gz HQEIYBAVZVIHHI-CJNGLKHVSA-N 1 2 352.387 1.922 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000275612146 181367117 /nfs/dbraw/zinc/36/71/17/181367117.db2.gz LTRFAQCWVNWSEX-WAVCKPEOSA-N 1 2 355.398 1.857 20 5 FDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nnnn1Cc1ccccc1)CC2 ZINC000542548670 541423189 /nfs/dbraw/zinc/42/31/89/541423189.db2.gz OGGPLZBDNDNNJC-UHFFFAOYSA-N 1 2 351.370 1.583 20 5 FDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nnnn1Cc1ccccc1)CC2 ZINC000542548670 541423192 /nfs/dbraw/zinc/42/31/92/541423192.db2.gz OGGPLZBDNDNNJC-UHFFFAOYSA-N 1 2 351.370 1.583 20 5 FDBDLO Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cc1[N+](=O)[O-] ZINC000543085927 541532394 /nfs/dbraw/zinc/53/23/94/541532394.db2.gz UVWUSWQVBGOQLB-CQSZACIVSA-N 1 2 371.397 1.558 20 5 FDBDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1=O ZINC000543085145 541531552 /nfs/dbraw/zinc/53/15/52/541531552.db2.gz ODFZZDSXIBLSEQ-SNVBAGLBSA-N 1 2 363.399 1.311 20 5 FDBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000544684318 541809657 /nfs/dbraw/zinc/80/96/57/541809657.db2.gz PKFBNRNSQRNBMY-GFCCVEGCSA-N 1 2 356.386 1.486 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000544842893 541841071 /nfs/dbraw/zinc/84/10/71/541841071.db2.gz IFUHHLVZWLPUAE-HZPDHXFCSA-N 1 2 369.443 1.517 20 5 FDBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000282439715 182012257 /nfs/dbraw/zinc/01/22/57/182012257.db2.gz JLERAXMRRGFOBX-UHFFFAOYSA-N 1 2 363.349 1.726 20 5 FDBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cc[nH+]c1 ZINC000283247407 182138405 /nfs/dbraw/zinc/13/84/05/182138405.db2.gz DGMYWOMAJPJFBM-UHFFFAOYSA-N 1 2 359.386 1.047 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000545174406 541891469 /nfs/dbraw/zinc/89/14/69/541891469.db2.gz GJCWAHGWXKPXCM-ZDUSSCGKSA-N 1 2 363.349 1.949 20 5 FDBDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)nn1 ZINC000545174406 541891472 /nfs/dbraw/zinc/89/14/72/541891472.db2.gz GJCWAHGWXKPXCM-ZDUSSCGKSA-N 1 2 363.349 1.949 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC000283909247 182312562 /nfs/dbraw/zinc/31/25/62/182312562.db2.gz DLOSJIQHMOQNRV-DLBZAZTESA-N 1 2 371.397 1.326 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC000283909247 182312564 /nfs/dbraw/zinc/31/25/64/182312564.db2.gz DLOSJIQHMOQNRV-DLBZAZTESA-N 1 2 371.397 1.326 20 5 FDBDLO CN1CC[N@H+](C)C[C@@H]1c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000546503321 542156365 /nfs/dbraw/zinc/15/63/65/542156365.db2.gz JNDWJWDIWLIHGX-OAHLLOKOSA-N 1 2 356.386 1.968 20 5 FDBDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000546503321 542156368 /nfs/dbraw/zinc/15/63/68/542156368.db2.gz JNDWJWDIWLIHGX-OAHLLOKOSA-N 1 2 356.386 1.968 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286343345 183044373 /nfs/dbraw/zinc/04/43/73/183044373.db2.gz MCUCHDVRPMGYBR-ZIAGYGMSSA-N 1 2 363.414 1.989 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000286550234 183093971 /nfs/dbraw/zinc/09/39/71/183093971.db2.gz XGOYJLFQILYRDJ-HUUCEWRRSA-N 1 2 374.401 1.086 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000286550234 183093973 /nfs/dbraw/zinc/09/39/73/183093973.db2.gz XGOYJLFQILYRDJ-HUUCEWRRSA-N 1 2 374.401 1.086 20 5 FDBDLO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000291462352 183782957 /nfs/dbraw/zinc/78/29/57/183782957.db2.gz OFUFASBCJFHJHC-RHSMWYFYSA-N 1 2 363.414 1.604 20 5 FDBDLO CCOC(=O)[C@H](F)C1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295935318 184115271 /nfs/dbraw/zinc/11/52/71/184115271.db2.gz ICDGGPLOBMUAOX-IUODEOHRSA-N 1 2 356.350 1.168 20 5 FDBDLO Cc1cc(F)c(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000297200947 184244908 /nfs/dbraw/zinc/24/49/08/184244908.db2.gz BDSWDMGIQPETFD-UHFFFAOYSA-N 1 2 363.349 1.726 20 5 FDBDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000298055094 184383238 /nfs/dbraw/zinc/38/32/38/184383238.db2.gz ICYAFZACEPWPBN-UHFFFAOYSA-N 1 2 364.402 1.069 20 5 FDBDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000298055094 184383239 /nfs/dbraw/zinc/38/32/39/184383239.db2.gz ICYAFZACEPWPBN-UHFFFAOYSA-N 1 2 364.402 1.069 20 5 FDBDLO CN(CC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000172969245 258288461 /nfs/dbraw/zinc/28/84/61/258288461.db2.gz VKHGOZLBQZDMQW-UHFFFAOYSA-N 1 2 350.419 1.258 20 5 FDBDLO CN(CC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000172969245 258288462 /nfs/dbraw/zinc/28/84/62/258288462.db2.gz VKHGOZLBQZDMQW-UHFFFAOYSA-N 1 2 350.419 1.258 20 5 FDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550571609 543128780 /nfs/dbraw/zinc/12/87/80/543128780.db2.gz IDUHPJHFZURNDI-ZOWXZIJZSA-N 1 2 352.387 1.646 20 5 FDBDLO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000550571609 543128783 /nfs/dbraw/zinc/12/87/83/543128783.db2.gz IDUHPJHFZURNDI-ZOWXZIJZSA-N 1 2 352.387 1.646 20 5 FDBDLO Cc1nc(N)c(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000552184008 543433648 /nfs/dbraw/zinc/43/36/48/543433648.db2.gz VLHNDKQYSRIVOC-UHFFFAOYSA-N 1 2 353.342 1.391 20 5 FDBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552702371 543504337 /nfs/dbraw/zinc/50/43/37/543504337.db2.gz 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553625027 /nfs/dbraw/zinc/62/50/27/553625027.db2.gz QWDUXRAKPUJFBR-UHFFFAOYSA-N 1 2 371.376 1.666 20 5 FDBDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000602939300 553674660 /nfs/dbraw/zinc/67/46/60/553674660.db2.gz AXBARYLURJMGMF-ZDUSSCGKSA-N 1 2 361.377 1.862 20 5 FDBDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000602939300 553674661 /nfs/dbraw/zinc/67/46/61/553674661.db2.gz AXBARYLURJMGMF-ZDUSSCGKSA-N 1 2 361.377 1.862 20 5 FDBDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000602941219 553675280 /nfs/dbraw/zinc/67/52/80/553675280.db2.gz HLXJJEAMQDDBNQ-HNNXBMFYSA-N 1 2 361.377 1.862 20 5 FDBDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000602941219 553675282 /nfs/dbraw/zinc/67/52/82/553675282.db2.gz HLXJJEAMQDDBNQ-HNNXBMFYSA-N 1 2 361.377 1.862 20 5 FDBDLO O=C(C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000602987290 553686467 /nfs/dbraw/zinc/68/64/67/553686467.db2.gz 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ZINC000272811363 674476601 /nfs/dbraw/zinc/47/66/01/674476601.db2.gz HBZUEBDUXZZBSR-GHMZBOCLSA-N 1 2 359.473 1.980 20 5 FDBDLO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273330629 674528163 /nfs/dbraw/zinc/52/81/63/674528163.db2.gz LYOLPIGWLQFPOC-JSGCOSHPSA-N 1 2 372.443 1.232 20 5 FDBDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273330629 674528165 /nfs/dbraw/zinc/52/81/65/674528165.db2.gz LYOLPIGWLQFPOC-JSGCOSHPSA-N 1 2 372.443 1.232 20 5 FDBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277613200 674979261 /nfs/dbraw/zinc/97/92/61/674979261.db2.gz QNDHUONLVSHEOX-UOXLDJKESA-N 1 2 362.411 1.621 20 5 FDBDLO C[N@H+](CCN1CCOCC1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000114464047 671649680 /nfs/dbraw/zinc/64/96/80/671649680.db2.gz KOIJVPAEEFDBCH-UHFFFAOYSA-N 1 2 356.810 1.451 20 5 FDBDLO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000114464047 671649682 /nfs/dbraw/zinc/64/96/82/671649682.db2.gz KOIJVPAEEFDBCH-UHFFFAOYSA-N 1 2 356.810 1.451 20 5 FDBDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000266994062 673231043 /nfs/dbraw/zinc/23/10/43/673231043.db2.gz CSSDEJOSRNKZAM-UHFFFAOYSA-N 1 2 359.423 1.980 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000279632312 675323661 /nfs/dbraw/zinc/32/36/61/675323661.db2.gz YTJURGSEBHKKGU-AWEZNQCLSA-N 1 2 350.419 1.499 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000281445491 675520167 /nfs/dbraw/zinc/52/01/67/675520167.db2.gz DUQUZYNOJOOKHD-CQSZACIVSA-N 1 2 350.419 1.034 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000281445491 675520168 /nfs/dbraw/zinc/52/01/68/675520168.db2.gz DUQUZYNOJOOKHD-CQSZACIVSA-N 1 2 350.419 1.034 20 5 FDBDLO C[S@@](=O)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000281789878 675559629 /nfs/dbraw/zinc/55/96/29/675559629.db2.gz LGYSWZNKWYDYRO-RUZDIDTESA-N 1 2 362.411 1.812 20 5 FDBDLO CS(=O)(=O)CC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000292177539 676289235 /nfs/dbraw/zinc/28/92/35/676289235.db2.gz QFEUZQLBVDBUTC-OAHLLOKOSA-N 1 2 372.443 1.091 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000299376605 676531987 /nfs/dbraw/zinc/53/19/87/676531987.db2.gz SGZZQKJSJGWORZ-PAUBXPFVSA-N 1 2 369.443 1.773 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000299376605 676531990 /nfs/dbraw/zinc/53/19/90/676531990.db2.gz SGZZQKJSJGWORZ-PAUBXPFVSA-N 1 2 369.443 1.773 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000331518159 676730637 /nfs/dbraw/zinc/73/06/37/676730637.db2.gz PTRVDLWQKGYUTA-AWEZNQCLSA-N 1 2 369.443 1.246 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000364515676 677024562 /nfs/dbraw/zinc/02/45/62/677024562.db2.gz XOBRNQWDCORDBA-ZDUSSCGKSA-N 1 2 371.484 1.715 20 5 FDBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366426242 677442945 /nfs/dbraw/zinc/44/29/45/677442945.db2.gz YRDYMFFNUZBZRD-HOCLYGCPSA-N 1 2 356.444 1.917 20 5 FDBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366426242 677442946 /nfs/dbraw/zinc/44/29/46/677442946.db2.gz YRDYMFFNUZBZRD-HOCLYGCPSA-N 1 2 356.444 1.917 20 5 FDBDLO COc1cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1OC ZINC000372687881 677961278 /nfs/dbraw/zinc/96/12/78/677961278.db2.gz YFIQOIPETZRIDP-INIZCTEOSA-N 1 2 351.359 1.686 20 5 FDBDLO COc1cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c([N+](=O)[O-])cc1OC ZINC000372687881 677961282 /nfs/dbraw/zinc/96/12/82/677961282.db2.gz YFIQOIPETZRIDP-INIZCTEOSA-N 1 2 351.359 1.686 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000372825657 677980255 /nfs/dbraw/zinc/98/02/55/677980255.db2.gz XKYKATGKPPZGSR-QWHCGFSZSA-N 1 2 355.416 1.126 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000372825657 677980256 /nfs/dbraw/zinc/98/02/56/677980256.db2.gz XKYKATGKPPZGSR-QWHCGFSZSA-N 1 2 355.416 1.126 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377723326 678598604 /nfs/dbraw/zinc/59/86/04/678598604.db2.gz NCQJDLMKNDNRFC-JFGNBEQYSA-N 1 2 366.805 1.643 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377723326 678598610 /nfs/dbraw/zinc/59/86/10/678598610.db2.gz NCQJDLMKNDNRFC-JFGNBEQYSA-N 1 2 366.805 1.643 20 5 FDBDLO COC(=O)c1cc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc([N+](=O)[O-])c1 ZINC000423700401 680810297 /nfs/dbraw/zinc/81/02/97/680810297.db2.gz SHKGADMBUUQULO-NSHDSACASA-N 1 2 357.313 1.356 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411942504 679102821 /nfs/dbraw/zinc/10/28/21/679102821.db2.gz MJYIUCFCTJCJNP-QWRGUYRKSA-N 1 2 368.821 1.985 20 5 FDBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411942504 679102822 /nfs/dbraw/zinc/10/28/22/679102822.db2.gz MJYIUCFCTJCJNP-QWRGUYRKSA-N 1 2 368.821 1.985 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000420442028 680453318 /nfs/dbraw/zinc/45/33/18/680453318.db2.gz JHQHLPQKQGTISK-NSHDSACASA-N 1 2 363.386 1.735 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000431898486 681138977 /nfs/dbraw/zinc/13/89/77/681138977.db2.gz NBNSROFYYJMSML-UHFFFAOYSA-N 1 2 366.399 1.890 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434711182 681513811 /nfs/dbraw/zinc/51/38/11/681513811.db2.gz MOCNWSFWBNDZAJ-AWEZNQCLSA-N 1 2 350.419 1.494 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000434711182 681513812 /nfs/dbraw/zinc/51/38/12/681513812.db2.gz MOCNWSFWBNDZAJ-AWEZNQCLSA-N 1 2 350.419 1.494 20 5 FDBDLO CNc1c(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000447659958 682560014 /nfs/dbraw/zinc/56/00/14/682560014.db2.gz PTMFLHHPWWILDB-BETUJISGSA-N 1 2 350.419 1.818 20 5 FDBDLO CNc1c(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000447659958 682560016 /nfs/dbraw/zinc/56/00/16/682560016.db2.gz PTMFLHHPWWILDB-BETUJISGSA-N 1 2 350.419 1.818 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000450815023 682783976 /nfs/dbraw/zinc/78/39/76/682783976.db2.gz RPMABDMBJGMYQC-SNVBAGLBSA-N 1 2 361.320 1.752 20 5 FDBDLO C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000450815023 682783978 /nfs/dbraw/zinc/78/39/78/682783978.db2.gz RPMABDMBJGMYQC-SNVBAGLBSA-N 1 2 361.320 1.752 20 5 FDBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](O)C(F)F ZINC000452480255 683077155 /nfs/dbraw/zinc/07/71/55/683077155.db2.gz KUBOQZWETVVCGJ-MFKMUULPSA-N 1 2 354.313 1.915 20 5 FDBDLO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c[nH+]1 ZINC000456866207 683687073 /nfs/dbraw/zinc/68/70/73/683687073.db2.gz UQPHSUAQIKLIBZ-UHFFFAOYSA-N 1 2 363.395 1.940 20 5 FDBDLO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000467715432 684873348 /nfs/dbraw/zinc/87/33/48/684873348.db2.gz VTZSHPVDDOLEPJ-ZUZCIYMTSA-N 1 2 367.427 1.211 20 5 FDBDLO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000467715432 684873351 /nfs/dbraw/zinc/87/33/51/684873351.db2.gz VTZSHPVDDOLEPJ-ZUZCIYMTSA-N 1 2 367.427 1.211 20 5 FDBDLO NS(=O)(=O)c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000469010007 684942594 /nfs/dbraw/zinc/94/25/94/684942594.db2.gz QRUMFCVRZFRWDO-LBPRGKRZSA-N 1 2 364.383 1.295 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000483303402 686489189 /nfs/dbraw/zinc/48/91/89/686489189.db2.gz FPAOMOAJSGQPOJ-SMDDNHRTSA-N 1 2 353.375 1.014 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000483303402 686489194 /nfs/dbraw/zinc/48/91/94/686489194.db2.gz FPAOMOAJSGQPOJ-SMDDNHRTSA-N 1 2 353.375 1.014 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3C[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000488355163 687039963 /nfs/dbraw/zinc/03/99/63/687039963.db2.gz XWULYWSBPQDNPD-OLZOCXBDSA-N 1 2 369.443 1.566 20 5 FDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000490244465 687137929 /nfs/dbraw/zinc/13/79/29/687137929.db2.gz LEMINVCWDIBQOJ-AWEZNQCLSA-N 1 2 368.821 1.911 20 5 FDBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000490244465 687137933 /nfs/dbraw/zinc/13/79/33/687137933.db2.gz LEMINVCWDIBQOJ-AWEZNQCLSA-N 1 2 368.821 1.911 20 5 FDBDLO Cc1cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000411317500 785236769 /nfs/dbraw/zinc/23/67/69/785236769.db2.gz CEBTUVNZPBHOIZ-GFCCVEGCSA-N 1 2 357.370 1.591 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364952814 785247693 /nfs/dbraw/zinc/24/76/93/785247693.db2.gz DKTOMDSNYKIKQE-ZLDLUXBVSA-N 1 2 357.370 1.731 20 5 FDBDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364952814 785247697 /nfs/dbraw/zinc/24/76/97/785247697.db2.gz DKTOMDSNYKIKQE-ZLDLUXBVSA-N 1 2 357.370 1.731 20 5 FDBDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000412062074 791455149 /nfs/dbraw/zinc/45/51/49/791455149.db2.gz IERDXLVWBJZYJE-KRWDZBQOSA-N 1 2 365.386 1.817 20 5 FDBDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000412062074 791455163 /nfs/dbraw/zinc/45/51/63/791455163.db2.gz IERDXLVWBJZYJE-KRWDZBQOSA-N 1 2 365.386 1.817 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775331 792009732 /nfs/dbraw/zinc/00/97/32/792009732.db2.gz PWLVLCQKNMHVFV-UUAJXVIYSA-N 1 2 359.430 1.210 20 5 FDBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C4CCCC4)n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775331 792009747 /nfs/dbraw/zinc/00/97/47/792009747.db2.gz PWLVLCQKNMHVFV-UUAJXVIYSA-N 1 2 359.430 1.210 20 5 FDBDLO CC(C)n1ncnc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412295044 793132403 /nfs/dbraw/zinc/13/24/03/793132403.db2.gz AWVGAUSBFSUQAB-UHFFFAOYSA-N 1 2 355.358 1.883 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000412370800 794070300 /nfs/dbraw/zinc/07/03/00/794070300.db2.gz PKMOJXWPDUPULJ-GFCCVEGCSA-N 1 2 365.386 1.218 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000412370800 794070310 /nfs/dbraw/zinc/07/03/10/794070310.db2.gz PKMOJXWPDUPULJ-GFCCVEGCSA-N 1 2 365.386 1.218 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000279067967 808255677 /nfs/dbraw/zinc/25/56/77/808255677.db2.gz DUPVUMSEWVAFAG-AWEZNQCLSA-N 1 2 373.413 1.573 20 5 FDBDLO COc1cccc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000981764838 808451700 /nfs/dbraw/zinc/45/17/00/808451700.db2.gz GCRPOASXTJEZKU-HUUCEWRRSA-N 1 2 360.414 1.180 20 5 FDBDLO COc1cccc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000981764838 808451705 /nfs/dbraw/zinc/45/17/05/808451705.db2.gz GCRPOASXTJEZKU-HUUCEWRRSA-N 1 2 360.414 1.180 20 5 FDBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000433258461 810354120 /nfs/dbraw/zinc/35/41/20/810354120.db2.gz FWXUCMBABAKEFC-UHFFFAOYSA-N 1 2 359.342 1.488 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367085073 814315740 /nfs/dbraw/zinc/31/57/40/814315740.db2.gz OWFDEQXZAKRTJF-OAHLLOKOSA-N 1 2 360.345 1.681 20 5 FDBDLO CN(CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000367098673 814323468 /nfs/dbraw/zinc/32/34/68/814323468.db2.gz HRWIJALGDDTYJD-HNNXBMFYSA-N 1 2 355.398 1.599 20 5 FDBDLO COC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc([N+](=O)[O-])c1 ZINC000505508333 815767233 /nfs/dbraw/zinc/76/72/33/815767233.db2.gz VGJUYWOYPXWGRO-MRXNPFEDSA-N 1 2 370.365 1.563 20 5 FDBDLO CCOc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000428162330 820923866 /nfs/dbraw/zinc/92/38/66/820923866.db2.gz YIAHONPKLXWGDT-LBPRGKRZSA-N 1 2 367.402 1.141 20 5 FDBDLO CCOc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000428162330 820923870 /nfs/dbraw/zinc/92/38/70/820923870.db2.gz YIAHONPKLXWGDT-LBPRGKRZSA-N 1 2 367.402 1.141 20 5 FDBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000895800343 822750475 /nfs/dbraw/zinc/75/04/75/822750475.db2.gz AHVZGHRXVPPFLN-VIFPVBQESA-N 1 2 351.329 1.870 20 5 FDBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC(n2cc[nH+]c2)C1 ZINC000523700074 828254569 /nfs/dbraw/zinc/25/45/69/828254569.db2.gz UTOCZJHNVBYLHB-UHFFFAOYSA-N 1 2 371.353 1.563 20 5 FDBDLO CNC(=O)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448817159 829249745 /nfs/dbraw/zinc/24/97/45/829249745.db2.gz CIRPKVBFYDMGGT-UHFFFAOYSA-N 1 2 371.397 1.815 20 5 FDBDLO NC(=O)CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448876942 829280841 /nfs/dbraw/zinc/28/08/41/829280841.db2.gz AEZHIVPETGSMCJ-CYBMUJFWSA-N 1 2 371.397 1.898 20 5 FDBDLO CC(=O)C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450783648 830111900 /nfs/dbraw/zinc/11/19/00/830111900.db2.gz DLWBOMKIPWXFED-CQSZACIVSA-N 1 2 358.354 1.601 20 5 FDBDLO COC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C)O1 ZINC000451020512 830219074 /nfs/dbraw/zinc/21/90/74/830219074.db2.gz XJURKPBMISFWHW-TZMCWYRMSA-N 1 2 360.370 1.656 20 5 FDBDLO COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000451878962 830460226 /nfs/dbraw/zinc/46/02/26/830460226.db2.gz OVBFQTWNTXHIGQ-GFCCVEGCSA-N 1 2 362.342 1.088 20 5 FDBDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454449660 835497340 /nfs/dbraw/zinc/49/73/40/835497340.db2.gz YJBXMIKWZRZQNP-RDJZCZTQSA-N 1 2 362.430 1.814 20 5 FDBDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000454449660 835497347 /nfs/dbraw/zinc/49/73/47/835497347.db2.gz YJBXMIKWZRZQNP-RDJZCZTQSA-N 1 2 362.430 1.814 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000760550136 842266495 /nfs/dbraw/zinc/26/64/95/842266495.db2.gz LQNJMVVJJWMAPO-INIZCTEOSA-N 1 2 370.413 1.952 20 5 FDBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000760550136 842266503 /nfs/dbraw/zinc/26/65/03/842266503.db2.gz LQNJMVVJJWMAPO-INIZCTEOSA-N 1 2 370.413 1.952 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c1F ZINC000913460509 862107090 /nfs/dbraw/zinc/10/70/90/862107090.db2.gz OMNDKBMSFQCECT-NSHDSACASA-N 1 2 365.340 1.702 20 5 FDBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905191656 851716492 /nfs/dbraw/zinc/71/64/92/851716492.db2.gz VFXZOOVSAWCVSB-DOMZBBRYSA-N 1 2 367.377 1.861 20 5 FDBDLO C[C@@H]1C[N@H+](CCOC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CCO1 ZINC000910261422 856990150 /nfs/dbraw/zinc/99/01/50/856990150.db2.gz UNXNUSLTDSGWGS-CQSZACIVSA-N 1 2 374.397 1.717 20 5 FDBDLO C[C@@H]1C[N@@H+](CCOC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CCO1 ZINC000910261422 856990153 /nfs/dbraw/zinc/99/01/53/856990153.db2.gz UNXNUSLTDSGWGS-CQSZACIVSA-N 1 2 374.397 1.717 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000535259827 867536608 /nfs/dbraw/zinc/53/66/08/867536608.db2.gz FKJWNHFVIBPMFD-UHFFFAOYSA-N 1 2 358.402 1.628 20 5 FDBDLO COC(=O)CC1CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000497738974 883593027 /nfs/dbraw/zinc/59/30/27/883593027.db2.gz YDMOXOBGAGCFIB-UHFFFAOYSA-N 1 2 365.386 1.817 20 5 FDBDLO COc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789980 893932589 /nfs/dbraw/zinc/93/25/89/893932589.db2.gz ZVQJAPHBXFKWTF-HUUCEWRRSA-N 1 2 351.378 1.580 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000273702245 897263855 /nfs/dbraw/zinc/26/38/55/897263855.db2.gz DOMDGIWZGNZWKO-CYBMUJFWSA-N 1 2 364.402 1.648 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000273702245 897263868 /nfs/dbraw/zinc/26/38/68/897263868.db2.gz DOMDGIWZGNZWKO-CYBMUJFWSA-N 1 2 364.402 1.648 20 5 FDBDLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000741245608 925650948 /nfs/dbraw/zinc/65/09/48/925650948.db2.gz BUZYJOWXCHGXOQ-OAHLLOKOSA-N 1 2 365.386 1.496 20 5 FDBDLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000741245608 925650952 /nfs/dbraw/zinc/65/09/52/925650952.db2.gz BUZYJOWXCHGXOQ-OAHLLOKOSA-N 1 2 365.386 1.496 20 5 FDBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000745083143 927056593 /nfs/dbraw/zinc/05/65/93/927056593.db2.gz UAIYCUMPHSOOKE-LLVKDONJSA-N 1 2 365.342 1.290 20 5 FDBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000745083143 927056605 /nfs/dbraw/zinc/05/66/05/927056605.db2.gz UAIYCUMPHSOOKE-LLVKDONJSA-N 1 2 365.342 1.290 20 5 FDBDLO CS(=O)(=O)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000766456809 928049885 /nfs/dbraw/zinc/04/98/85/928049885.db2.gz BXUMPYIQURPFAL-UHFFFAOYSA-N 1 2 353.356 1.372 20 5 FDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001169018251 928237413 /nfs/dbraw/zinc/23/74/13/928237413.db2.gz ACKJARXPUVSDKO-XGXHKWSGSA-N 1 2 360.458 1.802 20 5 FDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001169018251 928237432 /nfs/dbraw/zinc/23/74/32/928237432.db2.gz ACKJARXPUVSDKO-XGXHKWSGSA-N 1 2 360.458 1.802 20 5 FDBDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@]1(CO)CCOC1 ZINC001169208482 928343626 /nfs/dbraw/zinc/34/36/26/928343626.db2.gz UQLULEWGCPJMNI-HNNXBMFYSA-N 1 2 368.777 1.881 20 5 FDBDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@]1(CO)CCOC1 ZINC001169208482 928343640 /nfs/dbraw/zinc/34/36/40/928343640.db2.gz UQLULEWGCPJMNI-HNNXBMFYSA-N 1 2 368.777 1.881 20 5 FDBDLO O=C(OCCCN1CCCC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677351 931539853 /nfs/dbraw/zinc/53/98/53/931539853.db2.gz KQZFXMJQBBNYQL-UHFFFAOYSA-N 1 2 358.354 1.950 20 5 FDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000805469806 938748778 /nfs/dbraw/zinc/74/87/78/938748778.db2.gz JBANQNGWGBWTQS-CYBMUJFWSA-N 1 2 362.342 1.409 20 5 FDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000805469806 938748780 /nfs/dbraw/zinc/74/87/80/938748780.db2.gz JBANQNGWGBWTQS-CYBMUJFWSA-N 1 2 362.342 1.409 20 5 FDBDLO Cc1cn(CN2CCn3c[nH+]cc3C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000811787652 941165719 /nfs/dbraw/zinc/16/57/19/941165719.db2.gz OFKSIMVEWAWHIB-UHFFFAOYSA-N 1 2 354.370 1.525 20 5 FDBDLO COCCn1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000813172756 941341674 /nfs/dbraw/zinc/34/16/74/941341674.db2.gz NOYHUBQCPWHOBA-INIZCTEOSA-N 1 2 374.397 1.869 20 5 FDBDLO COCCn1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000813172756 941341677 /nfs/dbraw/zinc/34/16/77/941341677.db2.gz NOYHUBQCPWHOBA-INIZCTEOSA-N 1 2 374.397 1.869 20 5 FDBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc2n(n1)CCO2 ZINC000813173561 941341956 /nfs/dbraw/zinc/34/19/56/941341956.db2.gz FPHLBGCQWWRRHB-AWEZNQCLSA-N 1 2 358.354 1.615 20 5 FDBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cc2n(n1)CCO2 ZINC000813173561 941341960 /nfs/dbraw/zinc/34/19/60/941341960.db2.gz FPHLBGCQWWRRHB-AWEZNQCLSA-N 1 2 358.354 1.615 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)c([N+](=O)[O-])n1 ZINC001195269951 970805678 /nfs/dbraw/zinc/80/56/78/970805678.db2.gz JGFOBSFCCHBYIJ-LBPRGKRZSA-N 1 2 359.452 1.162 20 5 FDBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)c([N+](=O)[O-])n1 ZINC001195269951 970805688 /nfs/dbraw/zinc/80/56/88/970805688.db2.gz JGFOBSFCCHBYIJ-LBPRGKRZSA-N 1 2 359.452 1.162 20 5 FDBDLO CC(C)[C@@H](CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001135963999 942872617 /nfs/dbraw/zinc/87/26/17/942872617.db2.gz KOTBNJFCKOLDPD-CQSZACIVSA-N 1 2 370.837 1.917 20 5 FDBDLO Nc1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)ncn1 ZINC000820988682 944287067 /nfs/dbraw/zinc/28/70/67/944287067.db2.gz VXIZDJDWVWCLKD-UHFFFAOYSA-N 1 2 350.298 1.870 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278660 948949586 /nfs/dbraw/zinc/94/95/86/948949586.db2.gz PPQCVICWMDGELA-NSHDSACASA-N 1 2 362.342 1.933 20 5 FDBDLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001175409694 963190883 /nfs/dbraw/zinc/19/08/83/963190883.db2.gz BJXPWQZLORKBAQ-NEPJUHHUSA-N 1 2 362.329 1.175 20 5 FDBDLO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001175409694 963190895 /nfs/dbraw/zinc/19/08/95/963190895.db2.gz BJXPWQZLORKBAQ-NEPJUHHUSA-N 1 2 362.329 1.175 20 5 FDBDLO C[S@@](=N)(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001175956734 963331939 /nfs/dbraw/zinc/33/19/39/963331939.db2.gz USHGDICUBJTCJO-DEOSSOPVSA-N 1 2 355.420 1.133 20 5 FDBDLO CCOC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001176650142 963517424 /nfs/dbraw/zinc/51/74/24/963517424.db2.gz PNQMCELSSNIDAS-NEPJUHHUSA-N 1 2 365.386 1.815 20 5 FDBDLO CCOC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001176650142 963517434 /nfs/dbraw/zinc/51/74/34/963517434.db2.gz PNQMCELSSNIDAS-NEPJUHHUSA-N 1 2 365.386 1.815 20 5 FDBDLO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC001176902443 963608516 /nfs/dbraw/zinc/60/85/16/963608516.db2.gz FXFBGAWAYDDAHZ-CABCVRRESA-N 1 2 367.427 1.307 20 5 FDBDLO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC001176902443 963608521 /nfs/dbraw/zinc/60/85/21/963608521.db2.gz FXFBGAWAYDDAHZ-CABCVRRESA-N 1 2 367.427 1.307 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H](N2CCOC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000852435026 967303159 /nfs/dbraw/zinc/30/31/59/967303159.db2.gz IKCXDCWDZMDZDK-AWEZNQCLSA-N 1 2 360.370 1.010 20 5 FDBDLO O=C(C[N@H+]1CC[C@H](N2CCOC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000852435026 967303169 /nfs/dbraw/zinc/30/31/69/967303169.db2.gz IKCXDCWDZMDZDK-AWEZNQCLSA-N 1 2 360.370 1.010 20 5 FDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@H]1COCCO1 ZINC000852494425 967373152 /nfs/dbraw/zinc/37/31/52/967373152.db2.gz CRBIIADLVXJKGJ-PWSUYJOCSA-N 1 2 357.794 1.922 20 5 FDBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@H]1COCCO1 ZINC000852494425 967373161 /nfs/dbraw/zinc/37/31/61/967373161.db2.gz CRBIIADLVXJKGJ-PWSUYJOCSA-N 1 2 357.794 1.922 20 5 FDBDLO O=[N+]([O-])c1cn(C[N@@H+]2CCOCC3(CCOCC3)C2)nc1-c1ccccn1 ZINC000853505958 968061658 /nfs/dbraw/zinc/06/16/58/968061658.db2.gz DZIOEVFSBFRXAW-UHFFFAOYSA-N 1 2 373.413 1.940 20 5 FDBDLO O=[N+]([O-])c1cn(C[N@H+]2CCOCC3(CCOCC3)C2)nc1-c1ccccn1 ZINC000853505958 968061674 /nfs/dbraw/zinc/06/16/74/968061674.db2.gz DZIOEVFSBFRXAW-UHFFFAOYSA-N 1 2 373.413 1.940 20 5 FDBDLO O=C1OCCN1[C@@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000853539543 968095837 /nfs/dbraw/zinc/09/58/37/968095837.db2.gz UVZJDEYVTPKMTK-CVEARBPZSA-N 1 2 374.397 1.395 20 5 FDBDLO O=C1OCCN1[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000853539543 968095849 /nfs/dbraw/zinc/09/58/49/968095849.db2.gz UVZJDEYVTPKMTK-CVEARBPZSA-N 1 2 374.397 1.395 20 5 FDBDLO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000853551592 968107429 /nfs/dbraw/zinc/10/74/29/968107429.db2.gz YFTNVUCJDRBQNQ-MLGOLLRUSA-N 1 2 352.391 1.347 20 5 FDBDLO Cc1nn(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000853551592 968107434 /nfs/dbraw/zinc/10/74/34/968107434.db2.gz YFTNVUCJDRBQNQ-MLGOLLRUSA-N 1 2 352.391 1.347 20 5 FDBDLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001192233401 969021381 /nfs/dbraw/zinc/02/13/81/969021381.db2.gz FOPZSGLKPFVECI-HNNXBMFYSA-N 1 2 367.402 1.822 20 5 FDBDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001192233401 969021390 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CC(C)C(=O)NC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067377141 523414215 /nfs/dbraw/zinc/41/42/15/523414215.db2.gz MRXMJAJENQNHGK-QGZVFWFLSA-N 1 2 374.441 1.937 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053778585 523508221 /nfs/dbraw/zinc/50/82/21/523508221.db2.gz HMPWNNXMEMKCCM-UHFFFAOYSA-N 1 2 367.409 1.701 20 5 FDBDLO CS(=O)(=O)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078404509 523578041 /nfs/dbraw/zinc/57/80/41/523578041.db2.gz CNPCZZDYIYKMBT-CYBMUJFWSA-N 1 2 369.443 1.157 20 5 FDBDLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054394538 523635432 /nfs/dbraw/zinc/63/54/32/523635432.db2.gz ODEQIRKTUGKCKL-GFCCVEGCSA-N 1 2 365.386 1.960 20 5 FDBDLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054394538 523635441 /nfs/dbraw/zinc/63/54/41/523635441.db2.gz ODEQIRKTUGKCKL-GFCCVEGCSA-N 1 2 365.386 1.960 20 5 FDBDLO Cc1ccc2[nH+]c(CNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])cn2c1 ZINC000054836013 523704117 /nfs/dbraw/zinc/70/41/17/523704117.db2.gz GYGDDYKYSUAATN-UHFFFAOYSA-N 1 2 361.383 1.810 20 5 FDBDLO CCOc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000080764486 523904047 /nfs/dbraw/zinc/90/40/47/523904047.db2.gz LLHPSLWVUCTIRQ-UHFFFAOYSA-N 1 2 362.430 1.738 20 5 FDBDLO CN(C)C(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000080947183 523920620 /nfs/dbraw/zinc/92/06/20/523920620.db2.gz APEHEXCWMRNJMF-UHFFFAOYSA-N 1 2 351.363 1.103 20 5 FDBDLO CN(C)C(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000080947183 523920625 /nfs/dbraw/zinc/92/06/25/523920625.db2.gz APEHEXCWMRNJMF-UHFFFAOYSA-N 1 2 351.363 1.103 20 5 FDBDLO O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172031539 524099624 /nfs/dbraw/zinc/09/96/24/524099624.db2.gz UHBXWEFCTIFGLI-ZDUSSCGKSA-N 1 2 352.354 1.791 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111291945 524251460 /nfs/dbraw/zinc/25/14/60/524251460.db2.gz GXTUCGSEQAIYFH-HNNXBMFYSA-N 1 2 360.414 1.929 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111291945 524251466 /nfs/dbraw/zinc/25/14/66/524251466.db2.gz GXTUCGSEQAIYFH-HNNXBMFYSA-N 1 2 360.414 1.929 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000121994503 524427005 /nfs/dbraw/zinc/42/70/05/524427005.db2.gz ZDGZRSDIUUHCFU-UHFFFAOYSA-N 1 2 359.386 1.895 20 5 FDBDLO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000147033823 524428685 /nfs/dbraw/zinc/42/86/85/524428685.db2.gz WHJLKECMERRVSF-LBPRGKRZSA-N 1 2 369.443 1.603 20 5 FDBDLO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000147033823 524428692 /nfs/dbraw/zinc/42/86/92/524428692.db2.gz WHJLKECMERRVSF-LBPRGKRZSA-N 1 2 369.443 1.603 20 5 FDBDLO O=C(NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000158460808 524473705 /nfs/dbraw/zinc/47/37/05/524473705.db2.gz KZBCRUBBFRYMJU-UHFFFAOYSA-N 1 2 358.192 1.419 20 5 FDBDLO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000151275930 524548910 /nfs/dbraw/zinc/54/89/10/524548910.db2.gz WMNZFCJCFCWOLJ-CQSZACIVSA-N 1 2 353.400 1.910 20 5 FDBDLO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000159490302 524682576 /nfs/dbraw/zinc/68/25/76/524682576.db2.gz XCEBXAYRFLMGGH-GOEBONIOSA-N 1 2 363.414 1.798 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000123329282 524728275 /nfs/dbraw/zinc/72/82/75/524728275.db2.gz XEFCVANCZKHYCM-AWEZNQCLSA-N 1 2 371.459 1.234 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123597725 524787726 /nfs/dbraw/zinc/78/77/26/524787726.db2.gz IEKPBLXNZKYKHD-CYBMUJFWSA-N 1 2 355.416 1.045 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000123597725 524787734 /nfs/dbraw/zinc/78/77/34/524787734.db2.gz IEKPBLXNZKYKHD-CYBMUJFWSA-N 1 2 355.416 1.045 20 5 FDBDLO CCc1ccc(C[NH+]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)s1 ZINC000123782463 524828681 /nfs/dbraw/zinc/82/86/81/524828681.db2.gz LOIWLPWSMLVVMH-UHFFFAOYSA-N 1 2 363.443 1.910 20 5 FDBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092068664 524841114 /nfs/dbraw/zinc/84/11/14/524841114.db2.gz UDMFDAXSLNBOFZ-NSHDSACASA-N 1 2 365.358 1.320 20 5 FDBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092068664 524841122 /nfs/dbraw/zinc/84/11/22/524841122.db2.gz UDMFDAXSLNBOFZ-NSHDSACASA-N 1 2 365.358 1.320 20 5 FDBDLO COCCCNC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092361848 524874573 /nfs/dbraw/zinc/87/45/73/524874573.db2.gz BLGIILIBCHFVQT-UHFFFAOYSA-N 1 2 351.403 1.665 20 5 FDBDLO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000160499139 524904496 /nfs/dbraw/zinc/90/44/96/524904496.db2.gz DOGPMMXLSBLXPP-UHFFFAOYSA-N 1 2 355.460 1.930 20 5 FDBDLO C[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCOCC1 ZINC000152651622 524961014 /nfs/dbraw/zinc/96/10/14/524961014.db2.gz IUVNREDKHBDMPB-QWHCGFSZSA-N 1 2 358.398 1.982 20 5 FDBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000152740066 524988573 /nfs/dbraw/zinc/98/85/73/524988573.db2.gz KWBDPNJFVJBTGG-ACYLFWIKSA-N 1 2 351.790 1.803 20 5 FDBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000152740066 524988577 /nfs/dbraw/zinc/98/85/77/524988577.db2.gz KWBDPNJFVJBTGG-ACYLFWIKSA-N 1 2 351.790 1.803 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000176547242 525136292 /nfs/dbraw/zinc/13/62/92/525136292.db2.gz KQFYTXPWLRBUOQ-UHFFFAOYSA-N 1 2 357.370 1.773 20 5 FDBDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153225435 525149589 /nfs/dbraw/zinc/14/95/89/525149589.db2.gz BMGFHENYDMCLPO-UHFFFAOYSA-N 1 2 357.414 1.951 20 5 FDBDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153225435 525149595 /nfs/dbraw/zinc/14/95/95/525149595.db2.gz BMGFHENYDMCLPO-UHFFFAOYSA-N 1 2 357.414 1.951 20 5 FDBDLO CCOC(=O)c1cc(N2CCN(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000125811115 525238610 /nfs/dbraw/zinc/23/86/10/525238610.db2.gz IUKPVPAVBOKKHU-UHFFFAOYSA-N 1 2 373.413 1.827 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNc1cc[nH+]c(C2CC2)n1 ZINC000116872582 525239088 /nfs/dbraw/zinc/23/90/88/525239088.db2.gz RGJARJBEZUGPFP-UHFFFAOYSA-N 1 2 363.399 1.653 20 5 FDBDLO CCOCC[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000153613533 525264746 /nfs/dbraw/zinc/26/47/46/525264746.db2.gz OEHJLBHPDXKKJU-UHFFFAOYSA-N 1 2 357.432 1.079 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1ccc[nH+]c1N1CCOCC1 ZINC000128612570 525562629 /nfs/dbraw/zinc/56/26/29/525562629.db2.gz HRJXKCAFXSOONB-UHFFFAOYSA-N 1 2 374.372 1.824 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000166097618 525573188 /nfs/dbraw/zinc/57/31/88/525573188.db2.gz IANHYIKANFJXJL-ZDUSSCGKSA-N 1 2 362.411 1.937 20 5 FDBDLO Cc1c(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cccc1[N+](=O)[O-] ZINC000170686962 525677999 /nfs/dbraw/zinc/67/79/99/525677999.db2.gz MJJBLWXLYFCTSC-UHFFFAOYSA-N 1 2 356.382 1.550 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171020283 525802607 /nfs/dbraw/zinc/80/26/07/525802607.db2.gz RHBPPBWGNBAGQT-UHFFFAOYSA-N 1 2 364.431 1.291 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171020283 525802617 /nfs/dbraw/zinc/80/26/17/525802617.db2.gz RHBPPBWGNBAGQT-UHFFFAOYSA-N 1 2 364.431 1.291 20 5 FDBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1[N+](=O)[O-] ZINC000181834396 525948212 /nfs/dbraw/zinc/94/82/12/525948212.db2.gz JHZXKUABZWOZTA-SNVBAGLBSA-N 1 2 372.385 1.028 20 5 FDBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182036845 526030121 /nfs/dbraw/zinc/03/01/21/526030121.db2.gz XPYZMPQYDPBJPK-UHFFFAOYSA-N 1 2 354.838 1.890 20 5 FDBDLO CC(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000133617879 526075955 /nfs/dbraw/zinc/07/59/55/526075955.db2.gz OJGFWIGIWFPYER-LBPRGKRZSA-N 1 2 357.432 1.200 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000182269998 526117411 /nfs/dbraw/zinc/11/74/11/526117411.db2.gz BJNLZHJKCVUPPW-QGZVFWFLSA-N 1 2 372.425 1.547 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000120595320 526122146 /nfs/dbraw/zinc/12/21/46/526122146.db2.gz ABYRVACBMMKHRZ-CVEARBPZSA-N 1 2 369.443 1.205 20 5 FDBDLO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000183677210 536028511 /nfs/dbraw/zinc/02/85/11/536028511.db2.gz IFJNCMQAKLZIKQ-AWEZNQCLSA-N 1 2 371.459 1.025 20 5 FDBDLO COc1cc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000184075320 536091009 /nfs/dbraw/zinc/09/10/09/536091009.db2.gz XCOBVRZNHPDGCJ-UHFFFAOYSA-N 1 2 359.386 1.594 20 5 FDBDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184689709 536175995 /nfs/dbraw/zinc/17/59/95/536175995.db2.gz WIRXMLJSDCXGMJ-UHFFFAOYSA-N 1 2 351.384 1.973 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000185853550 536219269 /nfs/dbraw/zinc/21/92/69/536219269.db2.gz BRCKFKULEVVKAX-OLZOCXBDSA-N 1 2 357.432 1.061 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000185853550 536219270 /nfs/dbraw/zinc/21/92/70/536219270.db2.gz BRCKFKULEVVKAX-OLZOCXBDSA-N 1 2 357.432 1.061 20 5 FDBDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000187096307 536254537 /nfs/dbraw/zinc/25/45/37/536254537.db2.gz NHHHICLUTFFOHI-GFCCVEGCSA-N 1 2 357.370 1.609 20 5 FDBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188608920 536911724 /nfs/dbraw/zinc/91/17/24/536911724.db2.gz PERVHAAYSASXOT-CQSZACIVSA-N 1 2 369.443 1.470 20 5 FDBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266915744 536942068 /nfs/dbraw/zinc/94/20/68/536942068.db2.gz KNNCQMPBDYUZIT-LBPRGKRZSA-N 1 2 353.400 1.174 20 5 FDBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000266915744 536942072 /nfs/dbraw/zinc/94/20/72/536942072.db2.gz KNNCQMPBDYUZIT-LBPRGKRZSA-N 1 2 353.400 1.174 20 5 FDBDLO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188797573 536951358 /nfs/dbraw/zinc/95/13/58/536951358.db2.gz UXOMBIWVBFUOLT-LBPRGKRZSA-N 1 2 357.432 1.061 20 5 FDBDLO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188797573 536951361 /nfs/dbraw/zinc/95/13/61/536951361.db2.gz UXOMBIWVBFUOLT-LBPRGKRZSA-N 1 2 357.432 1.061 20 5 FDBDLO CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000189079227 536993156 /nfs/dbraw/zinc/99/31/56/536993156.db2.gz OENKNDFNRNLHOW-INIZCTEOSA-N 1 2 371.397 1.767 20 5 FDBDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000246984965 537063262 /nfs/dbraw/zinc/06/32/62/537063262.db2.gz FTQARTNJGHAMTI-LBPRGKRZSA-N 1 2 357.432 1.244 20 5 FDBDLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000246984965 537063263 /nfs/dbraw/zinc/06/32/63/537063263.db2.gz FTQARTNJGHAMTI-LBPRGKRZSA-N 1 2 357.432 1.244 20 5 FDBDLO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189584106 537068782 /nfs/dbraw/zinc/06/87/82/537068782.db2.gz SSJDVLWUBLQCLT-AWEZNQCLSA-N 1 2 371.459 1.767 20 5 FDBDLO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189584106 537068784 /nfs/dbraw/zinc/06/87/84/537068784.db2.gz SSJDVLWUBLQCLT-AWEZNQCLSA-N 1 2 371.459 1.767 20 5 FDBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000189704740 537083282 /nfs/dbraw/zinc/08/32/82/537083282.db2.gz RYILTXBQJNAMLB-JTQLQIEISA-N 1 2 361.320 1.752 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000189993686 537124611 /nfs/dbraw/zinc/12/46/11/537124611.db2.gz JBNLXLKFRPEBTK-UHFFFAOYSA-N 1 2 371.459 1.289 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000190015429 537127500 /nfs/dbraw/zinc/12/75/00/537127500.db2.gz SNQPNPILBMAVTK-ZIAGYGMSSA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000190015429 537127504 /nfs/dbraw/zinc/12/75/04/537127504.db2.gz SNQPNPILBMAVTK-ZIAGYGMSSA-N 1 2 371.459 1.287 20 5 FDBDLO COc1cccc([C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)c2[nH+]ccn2C)c1 ZINC000248138542 537168653 /nfs/dbraw/zinc/16/86/53/537168653.db2.gz OQOTXDPBUNTCHA-CYBMUJFWSA-N 1 2 355.358 1.911 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000251878213 537248325 /nfs/dbraw/zinc/24/83/25/537248325.db2.gz UICOMYUUGJICRE-RWMBFGLXSA-N 1 2 365.434 1.594 20 5 FDBDLO CCc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000251878213 537248326 /nfs/dbraw/zinc/24/83/26/537248326.db2.gz UICOMYUUGJICRE-RWMBFGLXSA-N 1 2 365.434 1.594 20 5 FDBDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000194024164 537258077 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356.382 1.936 20 5 FDBDLO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000535559325 540483636 /nfs/dbraw/zinc/48/36/36/540483636.db2.gz KTECKVMOYMUKQW-WDEREUQCSA-N 1 2 351.359 1.355 20 5 FDBDLO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000535559325 540483641 /nfs/dbraw/zinc/48/36/41/540483641.db2.gz KTECKVMOYMUKQW-WDEREUQCSA-N 1 2 351.359 1.355 20 5 FDBDLO Cc1cn2cc(NC(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000536975145 540666577 /nfs/dbraw/zinc/66/65/77/540666577.db2.gz OVNIYHLOIUBOBN-UHFFFAOYSA-N 1 2 367.365 1.848 20 5 FDBDLO COc1cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC ZINC000538718160 540885329 /nfs/dbraw/zinc/88/53/29/540885329.db2.gz ZNPYBZREYGBOGC-LLVKDONJSA-N 1 2 358.416 1.479 20 5 FDBDLO COc1cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC ZINC000538718160 540885331 /nfs/dbraw/zinc/88/53/31/540885331.db2.gz ZNPYBZREYGBOGC-LLVKDONJSA-N 1 2 358.416 1.479 20 5 FDBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000539174188 540930813 /nfs/dbraw/zinc/93/08/13/540930813.db2.gz XGYUUVRTSNGDDY-UHFFFAOYSA-N 1 2 353.338 1.259 20 5 FDBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000539343090 540949486 /nfs/dbraw/zinc/94/94/86/540949486.db2.gz PFNPGWBUVIHGSI-LLVKDONJSA-N 1 2 353.350 1.443 20 5 FDBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000539343090 540949490 /nfs/dbraw/zinc/94/94/90/540949490.db2.gz PFNPGWBUVIHGSI-LLVKDONJSA-N 1 2 353.350 1.443 20 5 FDBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000539374234 540952808 /nfs/dbraw/zinc/95/28/08/540952808.db2.gz SHYGWJYUMDGKNO-GFCCVEGCSA-N 1 2 362.365 1.231 20 5 FDBDLO C[C@@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1[N+](=O)[O-] ZINC000539299394 540944011 /nfs/dbraw/zinc/94/40/11/540944011.db2.gz YIHDFBBAVLIISD-CQSZACIVSA-N 1 2 372.429 1.917 20 5 FDBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCNC(=O)N(C)C 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JENWXXGVYHLJQI-UHFFFAOYSA-N 1 2 373.388 1.567 20 5 FDBDLO O=c1n2ccccc2nn1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026900124 519145897 /nfs/dbraw/zinc/14/58/97/519145897.db2.gz IVQYGLZMPKCXHA-UHFFFAOYSA-N 1 2 368.397 1.226 20 5 FDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000028319446 519233335 /nfs/dbraw/zinc/23/33/35/519233335.db2.gz NOTWMZTWZCXENJ-UHFFFAOYSA-N 1 2 358.398 1.770 20 5 FDBDLO COc1ccc([C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)c2[nH+]ccn2C)cc1 ZINC000028508649 519241394 /nfs/dbraw/zinc/24/13/94/519241394.db2.gz PAPNCVSQYASZFI-MRXNPFEDSA-N 1 2 370.369 1.439 20 5 FDBDLO Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000029025217 519263963 /nfs/dbraw/zinc/26/39/63/519263963.db2.gz AXSQAGFULMMTKV-UHFFFAOYSA-N 1 2 374.441 1.674 20 5 FDBDLO Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000029025217 519263971 /nfs/dbraw/zinc/26/39/71/519263971.db2.gz AXSQAGFULMMTKV-UHFFFAOYSA-N 1 2 374.441 1.674 20 5 FDBDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000029161706 519274620 /nfs/dbraw/zinc/27/46/20/519274620.db2.gz KWXLMNARWBWHMA-UHFFFAOYSA-N 1 2 354.794 1.645 20 5 FDBDLO O=C(C[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000029848320 519326720 /nfs/dbraw/zinc/32/67/20/519326720.db2.gz FPUYUFRZFULHSI-UHFFFAOYSA-N 1 2 364.431 1.048 20 5 FDBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000029870836 519329090 /nfs/dbraw/zinc/32/90/90/519329090.db2.gz PWGCYJMHCQIMMP-UHFFFAOYSA-N 1 2 367.365 1.500 20 5 FDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000031941886 519471735 /nfs/dbraw/zinc/47/17/35/519471735.db2.gz VVPLTTQFAYAPRB-INIZCTEOSA-N 1 2 351.428 1.533 20 5 FDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032251517 519488239 /nfs/dbraw/zinc/48/82/39/519488239.db2.gz TUCSKOYISKUFLI-MRXNPFEDSA-N 1 2 358.398 1.564 20 5 FDBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032251517 519488245 /nfs/dbraw/zinc/48/82/45/519488245.db2.gz TUCSKOYISKUFLI-MRXNPFEDSA-N 1 2 358.398 1.564 20 5 FDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000041883130 519670414 /nfs/dbraw/zinc/67/04/14/519670414.db2.gz PEUJCDPWJMDJFY-UHFFFAOYSA-N 1 2 369.381 1.714 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042157551 519684402 /nfs/dbraw/zinc/68/44/02/519684402.db2.gz YXSFKFYIKZIJBE-UHFFFAOYSA-N 1 2 362.411 1.809 20 5 FDBDLO CC(C)(CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000069039002 521786769 /nfs/dbraw/zinc/78/67/69/521786769.db2.gz ARJPYKPOLFKNPS-UHFFFAOYSA-N 1 2 366.418 1.384 20 5 FDBDLO CN1CC[NH+](Cc2cccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC000057274152 522051880 /nfs/dbraw/zinc/05/18/80/522051880.db2.gz ROHFGBDIRCUHIW-UHFFFAOYSA-N 1 2 358.402 1.177 20 5 FDBDLO CC(C)C(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000046586635 522322238 /nfs/dbraw/zinc/32/22/38/522322238.db2.gz NZCFYBPPVRFWKV-HNNXBMFYSA-N 1 2 351.403 1.135 20 5 FDBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000072584135 522328942 /nfs/dbraw/zinc/32/89/42/522328942.db2.gz SLMAQBWWBYDILX-ZDUSSCGKSA-N 1 2 355.398 1.972 20 5 FDBDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665209 522350771 /nfs/dbraw/zinc/35/07/71/522350771.db2.gz HLHLAWYXTTYMLS-SNVBAGLBSA-N 1 2 361.324 1.497 20 5 FDBDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665209 522350780 /nfs/dbraw/zinc/35/07/80/522350780.db2.gz HLHLAWYXTTYMLS-SNVBAGLBSA-N 1 2 361.324 1.497 20 5 FDBDLO CC(C)OC(=O)C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000072830479 522396613 /nfs/dbraw/zinc/39/66/13/522396613.db2.gz HYPQONDPTFEYSY-AWEZNQCLSA-N 1 2 360.370 1.991 20 5 FDBDLO C[C@@H]1CN(c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)c[nH+]2)C[C@H](C)O1 ZINC000047164709 522461764 /nfs/dbraw/zinc/46/17/64/522461764.db2.gz FTHLWWVYNLFBAG-BETUJISGSA-N 1 2 374.401 1.116 20 5 FDBDLO Cc1c(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000048757838 522778832 /nfs/dbraw/zinc/77/88/32/522778832.db2.gz LQLGWSKDPBVKGG-UHFFFAOYSA-N 1 2 364.402 1.069 20 5 FDBDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000075158468 522884372 /nfs/dbraw/zinc/88/43/72/522884372.db2.gz YFIYNVGRSLWVKN-UHFFFAOYSA-N 1 2 369.425 1.471 20 5 FDBDLO O=C(NCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000066467854 523068492 /nfs/dbraw/zinc/06/84/92/523068492.db2.gz SHPLHCYETLFYDI-UHFFFAOYSA-N 1 2 373.388 1.681 20 5 FDBDLO C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000076534298 523132410 /nfs/dbraw/zinc/13/24/10/523132410.db2.gz QAGOFDJANVACKP-GNDHETMUSA-N 1 2 362.411 1.762 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000052781985 523270141 /nfs/dbraw/zinc/27/01/41/523270141.db2.gz KVPWUNFBLXSJRQ-LBPRGKRZSA-N 1 2 369.399 1.778 20 5 FDBDLO O=C1[C@H]([NH+]2CCN(c3ccccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374636 523411534 /nfs/dbraw/zinc/41/15/34/523411534.db2.gz FWJVNVNEDSZZHO-QGZVFWFLSA-N 1 2 367.409 1.917 20 5 FDBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000053394552 523417083 /nfs/dbraw/zinc/41/70/83/523417083.db2.gz OMBRGHSBZVOYCT-UHFFFAOYSA-N 1 2 374.422 1.713 20 5 FDBDLO CCc1cc(NCCS(N)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053572667 523467457 /nfs/dbraw/zinc/46/74/57/523467457.db2.gz WRFQSRXMOLJMLE-UHFFFAOYSA-N 1 2 351.388 1.315 20 5 FDBDLO COc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000078254512 523544632 /nfs/dbraw/zinc/54/46/32/523544632.db2.gz IZCBWFQIQHVXIW-UHFFFAOYSA-N 1 2 362.430 1.960 20 5 FDBDLO COc1ccc(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000067901439 523626184 /nfs/dbraw/zinc/62/61/84/523626184.db2.gz LHVVYOGYHMWIJG-UHFFFAOYSA-N 1 2 370.409 1.885 20 5 FDBDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000054760694 523690116 /nfs/dbraw/zinc/69/01/16/523690116.db2.gz DRICJDRFHIOIEF-UHFFFAOYSA-N 1 2 360.345 1.896 20 5 FDBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1F ZINC000054776154 523692598 /nfs/dbraw/zinc/69/25/98/523692598.db2.gz LRXNXWGXZHWZRF-MRXNPFEDSA-N 1 2 369.418 1.672 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000172105345 524117769 /nfs/dbraw/zinc/11/77/69/524117769.db2.gz HETOPLUFDNVTFQ-UHFFFAOYSA-N 1 2 355.416 1.462 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000172465681 524227081 /nfs/dbraw/zinc/22/70/81/524227081.db2.gz YHFXZIBRHAATFP-KRWDZBQOSA-N 1 2 358.354 1.852 20 5 FDBDLO C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157232521 524235304 /nfs/dbraw/zinc/23/53/04/524235304.db2.gz BXULGLGEZYVCME-APXPCNQMSA-N 1 2 350.400 1.620 20 5 FDBDLO O=C1CCCN1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000111294529 524254263 /nfs/dbraw/zinc/25/42/63/524254263.db2.gz UYGGCWNAJJTRMN-DLBZAZTESA-N 1 2 372.425 1.787 20 5 FDBDLO O=C1CCCN1[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000111294529 524254265 /nfs/dbraw/zinc/25/42/65/524254265.db2.gz UYGGCWNAJJTRMN-DLBZAZTESA-N 1 2 372.425 1.787 20 5 FDBDLO Cc1cc(=O)c(C(=O)NCCc2[nH]cc[nH+]2)nn1-c1ccccc1[N+](=O)[O-] ZINC000172991355 524296796 /nfs/dbraw/zinc/29/67/96/524296796.db2.gz AIYQWHODWRVDPJ-UHFFFAOYSA-N 1 2 368.353 1.145 20 5 FDBDLO C[C@H](NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000087115913 524413200 /nfs/dbraw/zinc/41/32/00/524413200.db2.gz ISXHERJRHVZBLN-KBPBESRZSA-N 1 2 362.430 1.772 20 5 FDBDLO Cn1cc[nH+]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087296716 524421693 /nfs/dbraw/zinc/42/16/93/524421693.db2.gz IDZKFAOMDOVXKF-UHFFFAOYSA-N 1 2 353.176 1.950 20 5 FDBDLO CS(=O)(=O)c1cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000147392862 524433678 /nfs/dbraw/zinc/43/36/78/524433678.db2.gz AQWFZDMZMZTPIM-UHFFFAOYSA-N 1 2 367.427 1.166 20 5 FDBDLO COc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000088757813 524466815 /nfs/dbraw/zinc/46/68/15/524466815.db2.gz IMKRUINZEKBIMA-AWEZNQCLSA-N 1 2 362.430 1.736 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000174364154 524550621 /nfs/dbraw/zinc/55/06/21/524550621.db2.gz MSMYDVTZYPSUPC-LLVKDONJSA-N 1 2 369.805 1.958 20 5 FDBDLO NC(=O)c1ccc(C[NH+]2CCN(c3ncccc3F)CC2)c([N+](=O)[O-])c1 ZINC000090631975 524610562 /nfs/dbraw/zinc/61/05/62/524610562.db2.gz GYLVKFHPDVXARN-UHFFFAOYSA-N 1 2 359.361 1.550 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000159336810 524645466 /nfs/dbraw/zinc/64/54/66/524645466.db2.gz SCUVAJYOBXNUNL-NSHDSACASA-N 1 2 366.374 1.686 20 5 FDBDLO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1CCOC ZINC000159493780 524685982 /nfs/dbraw/zinc/68/59/82/524685982.db2.gz FECHJKOEOHBQPC-CQSZACIVSA-N 1 2 351.403 1.873 20 5 FDBDLO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1CCOC ZINC000159493780 524685989 /nfs/dbraw/zinc/68/59/89/524685989.db2.gz FECHJKOEOHBQPC-CQSZACIVSA-N 1 2 351.403 1.873 20 5 FDBDLO COCCCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000114205366 524758191 /nfs/dbraw/zinc/75/81/91/524758191.db2.gz MZYORCKGKFRWPC-UHFFFAOYSA-N 1 2 357.432 1.328 20 5 FDBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1I ZINC000114338641 524769784 /nfs/dbraw/zinc/76/97/84/524769784.db2.gz QOGZHSRPLIDWEJ-UHFFFAOYSA-N 1 2 372.122 1.853 20 5 FDBDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000123663191 524801491 /nfs/dbraw/zinc/80/14/91/524801491.db2.gz HITNGUKPOQUACJ-LBPRGKRZSA-N 1 2 357.363 1.908 20 5 FDBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174942782 524806368 /nfs/dbraw/zinc/80/63/68/524806368.db2.gz ZFEUBLPTEPCTLD-CYBMUJFWSA-N 1 2 358.402 1.478 20 5 FDBDLO CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000152553831 524922423 /nfs/dbraw/zinc/92/24/23/524922423.db2.gz MJBCZNQNAHCCQH-QMTHXVAHSA-N 1 2 350.400 1.623 20 5 FDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000115164759 524948925 /nfs/dbraw/zinc/94/89/25/524948925.db2.gz XRGCCQSGLUTDKR-LBPRGKRZSA-N 1 2 351.428 1.910 20 5 FDBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000115164759 524948932 /nfs/dbraw/zinc/94/89/32/524948932.db2.gz XRGCCQSGLUTDKR-LBPRGKRZSA-N 1 2 351.428 1.910 20 5 FDBDLO CC(C)(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000116074052 525098524 /nfs/dbraw/zinc/09/85/24/525098524.db2.gz SVBBMQJHESVXTL-UHFFFAOYSA-N 1 2 371.459 1.716 20 5 FDBDLO Cc1cc(N2CC[C@H]([N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)C2=O)n(C)n1 ZINC000153121526 525111139 /nfs/dbraw/zinc/11/11/39/525111139.db2.gz DKEOKSYTUNPRKI-INIZCTEOSA-N 1 2 355.398 1.800 20 5 FDBDLO Cc1cc(N2CC[C@H]([N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)C2=O)n(C)n1 ZINC000153121526 525111147 /nfs/dbraw/zinc/11/11/47/525111147.db2.gz DKEOKSYTUNPRKI-INIZCTEOSA-N 1 2 355.398 1.800 20 5 FDBDLO Cc1n[nH]c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000116206518 525115665 /nfs/dbraw/zinc/11/56/65/525115665.db2.gz BAFLVMCFBBVLEW-GHMZBOCLSA-N 1 2 374.401 1.565 20 5 FDBDLO CC[C@@H](O)C[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000161493912 525118127 /nfs/dbraw/zinc/11/81/27/525118127.db2.gz BENHPUBQBABOJH-SNVBAGLBSA-N 1 2 359.224 1.645 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116888739 525240092 /nfs/dbraw/zinc/24/00/92/525240092.db2.gz NMFWCANUVRWLEH-ZDUSSCGKSA-N 1 2 357.432 1.506 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116888739 525240100 /nfs/dbraw/zinc/24/01/00/525240100.db2.gz NMFWCANUVRWLEH-ZDUSSCGKSA-N 1 2 357.432 1.506 20 5 FDBDLO COCCOC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000116886205 525240854 /nfs/dbraw/zinc/24/08/54/525240854.db2.gz NWOHCMZNUGMVEZ-UHFFFAOYSA-N 1 2 351.403 1.969 20 5 FDBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCCO)CC1 ZINC000154820016 525649193 /nfs/dbraw/zinc/64/91/93/525649193.db2.gz PAOUHWJMNONYOL-ZDUSSCGKSA-N 1 2 351.403 1.785 20 5 FDBDLO CCc1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000170685651 525677104 /nfs/dbraw/zinc/67/71/04/525677104.db2.gz PTFMLZODIUAKQE-UHFFFAOYSA-N 1 2 373.413 1.643 20 5 FDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000170687102 525680263 /nfs/dbraw/zinc/68/02/63/525680263.db2.gz GMINKLWTGFIHBQ-ZDUSSCGKSA-N 1 2 356.382 1.802 20 5 FDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000170687105 525681609 /nfs/dbraw/zinc/68/16/09/525681609.db2.gz GMINKLWTGFIHBQ-CYBMUJFWSA-N 1 2 356.382 1.802 20 5 FDBDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000106310035 525690470 /nfs/dbraw/zinc/69/04/70/525690470.db2.gz ZFAMZFNVMSZSIG-UHFFFAOYSA-N 1 2 350.400 1.675 20 5 FDBDLO COCC[N@@H+]1CCC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181501345 525862706 /nfs/dbraw/zinc/86/27/06/525862706.db2.gz FXFKJYRFEOHFLP-SNVBAGLBSA-N 1 2 363.461 1.583 20 5 FDBDLO COCC[N@H+]1CCC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181501345 525862709 /nfs/dbraw/zinc/86/27/09/525862709.db2.gz FXFKJYRFEOHFLP-SNVBAGLBSA-N 1 2 363.461 1.583 20 5 FDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000131914431 525917024 /nfs/dbraw/zinc/91/70/24/525917024.db2.gz OJDGZKVRUFMBFL-CYBMUJFWSA-N 1 2 355.398 1.972 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000182199368 526090906 /nfs/dbraw/zinc/09/09/06/526090906.db2.gz NPTUETBCKULJSX-KRWDZBQOSA-N 1 2 372.425 1.547 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000182416388 526166325 /nfs/dbraw/zinc/16/63/25/526166325.db2.gz FTTSVNMSBREEDB-UHFFFAOYSA-N 1 2 368.415 1.934 20 5 FDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000182906214 535886419 /nfs/dbraw/zinc/88/64/19/535886419.db2.gz ZPSNFLJUPUWICY-GFCCVEGCSA-N 1 2 373.406 1.184 20 5 FDBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000182906214 535886422 /nfs/dbraw/zinc/88/64/22/535886422.db2.gz ZPSNFLJUPUWICY-GFCCVEGCSA-N 1 2 373.406 1.184 20 5 FDBDLO COCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000183242254 535949303 /nfs/dbraw/zinc/94/93/03/535949303.db2.gz VHJKWLBEDPOUSP-INIZCTEOSA-N 1 2 356.444 1.929 20 5 FDBDLO COCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000183242254 535949309 /nfs/dbraw/zinc/94/93/09/535949309.db2.gz VHJKWLBEDPOUSP-INIZCTEOSA-N 1 2 356.444 1.929 20 5 FDBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000184820587 536185763 /nfs/dbraw/zinc/18/57/63/536185763.db2.gz RHLXTIIURMAPQE-LLVKDONJSA-N 1 2 367.369 1.520 20 5 FDBDLO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184926476 536191829 /nfs/dbraw/zinc/19/18/29/536191829.db2.gz DGKHMFATACPOCY-HOTGVXAUSA-N 1 2 363.414 1.798 20 5 FDBDLO Cc1nc(N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)cc[nH+]1 ZINC000184934020 536192040 /nfs/dbraw/zinc/19/20/40/536192040.db2.gz XEIYZVMQHWQFCJ-UHFFFAOYSA-N 1 2 360.349 1.377 20 5 FDBDLO CCN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000186569580 536237404 /nfs/dbraw/zinc/23/74/04/536237404.db2.gz CKLHQRDRNHDRAU-CYBMUJFWSA-N 1 2 351.403 1.277 20 5 FDBDLO CCN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000186569580 536237405 /nfs/dbraw/zinc/23/74/05/536237405.db2.gz CKLHQRDRNHDRAU-CYBMUJFWSA-N 1 2 351.403 1.277 20 5 FDBDLO CCN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000186569563 536237487 /nfs/dbraw/zinc/23/74/87/536237487.db2.gz CKLHQRDRNHDRAU-ZDUSSCGKSA-N 1 2 351.403 1.277 20 5 FDBDLO CCN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000186569563 536237488 /nfs/dbraw/zinc/23/74/88/536237488.db2.gz CKLHQRDRNHDRAU-ZDUSSCGKSA-N 1 2 351.403 1.277 20 5 FDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000186946731 536250108 /nfs/dbraw/zinc/25/01/08/536250108.db2.gz KRCYUCNYQYBXDR-QGZVFWFLSA-N 1 2 362.430 1.624 20 5 FDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1COCC[N@H+]1CC1CCC1 ZINC000186946731 536250109 /nfs/dbraw/zinc/25/01/09/536250109.db2.gz KRCYUCNYQYBXDR-QGZVFWFLSA-N 1 2 362.430 1.624 20 5 FDBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187382471 536264149 /nfs/dbraw/zinc/26/41/49/536264149.db2.gz WCNFKVBEEIXHJK-UHFFFAOYSA-N 1 2 357.370 1.969 20 5 FDBDLO CCCN1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000188159982 536284188 /nfs/dbraw/zinc/28/41/88/536284188.db2.gz MBBQGFWRAUMXOB-UHFFFAOYSA-N 1 2 371.397 1.865 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000188287785 536288917 /nfs/dbraw/zinc/28/89/17/536288917.db2.gz UICOMYUUGJICRE-JHJVBQTASA-N 1 2 365.434 1.594 20 5 FDBDLO CCc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000188287785 536288918 /nfs/dbraw/zinc/28/89/18/536288918.db2.gz UICOMYUUGJICRE-JHJVBQTASA-N 1 2 365.434 1.594 20 5 FDBDLO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000188692284 536928731 /nfs/dbraw/zinc/92/87/31/536928731.db2.gz LZGUTPOQPQUKAE-JTQLQIEISA-N 1 2 372.219 1.496 20 5 FDBDLO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000188692284 536928736 /nfs/dbraw/zinc/92/87/36/536928736.db2.gz LZGUTPOQPQUKAE-JTQLQIEISA-N 1 2 372.219 1.496 20 5 FDBDLO COCc1noc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000188800840 536951157 /nfs/dbraw/zinc/95/11/57/536951157.db2.gz CUYKFKVPHDNWNB-GQCTYLIASA-N 1 2 373.413 1.955 20 5 FDBDLO COC(=O)c1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])c1 ZINC000269836575 537024182 /nfs/dbraw/zinc/02/41/82/537024182.db2.gz GAPAKSINWGTADT-AWEZNQCLSA-N 1 2 370.365 1.785 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000263763776 537092137 /nfs/dbraw/zinc/09/21/37/537092137.db2.gz RSXXHDCUOSGMTE-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000263763776 537092138 /nfs/dbraw/zinc/09/21/38/537092138.db2.gz RSXXHDCUOSGMTE-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000247686634 537145258 /nfs/dbraw/zinc/14/52/58/537145258.db2.gz VDVHHCZIFDBLAL-CVEARBPZSA-N 1 2 366.805 1.879 20 5 FDBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000247686634 537145260 /nfs/dbraw/zinc/14/52/60/537145260.db2.gz VDVHHCZIFDBLAL-CVEARBPZSA-N 1 2 366.805 1.879 20 5 FDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000247751504 537148269 /nfs/dbraw/zinc/14/82/69/537148269.db2.gz SQZRZICBVDQKCN-UHFFFAOYSA-N 1 2 374.382 1.435 20 5 FDBDLO C[N@@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000247878187 537156405 /nfs/dbraw/zinc/15/64/05/537156405.db2.gz YYUNSWHXYDEHHT-SMDDNHRTSA-N 1 2 351.313 1.771 20 5 FDBDLO C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000247878187 537156409 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ZINC000412866586 679216313 /nfs/dbraw/zinc/21/63/13/679216313.db2.gz STBPYCJSGSDNCA-UHFFFAOYSA-N 1 2 366.399 1.335 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426165403 680950062 /nfs/dbraw/zinc/95/00/62/680950062.db2.gz YPJIHULAGIBCRH-NSHDSACASA-N 1 2 350.375 1.095 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426165403 680950063 /nfs/dbraw/zinc/95/00/63/680950063.db2.gz YPJIHULAGIBCRH-NSHDSACASA-N 1 2 350.375 1.095 20 5 FDBDLO COc1cc2c(cc1OC)C[N@H+](CCNc1ncc([N+](=O)[O-])s1)CC2 ZINC000443508335 682314700 /nfs/dbraw/zinc/31/47/00/682314700.db2.gz DNXSHXOVQUZQCP-UHFFFAOYSA-N 1 2 364.427 2.539 20 5 FDBDLO COc1cc2c(cc1OC)C[N@@H+](CCNc1ncc([N+](=O)[O-])s1)CC2 ZINC000443508335 682314705 /nfs/dbraw/zinc/31/47/05/682314705.db2.gz DNXSHXOVQUZQCP-UHFFFAOYSA-N 1 2 364.427 2.539 20 5 FDBDLO C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000450285049 682750551 /nfs/dbraw/zinc/75/05/51/682750551.db2.gz DRTAFHWSRIUTQU-CYBMUJFWSA-N 1 2 358.276 1.824 20 5 FDBDLO CS(=O)(=O)c1ccc(N2CC[NH+](CCC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000480510176 686184056 /nfs/dbraw/zinc/18/40/56/686184056.db2.gz GQBULEWTIAOKEX-UHFFFAOYSA-N 1 2 353.444 1.920 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000493768187 687452175 /nfs/dbraw/zinc/45/21/75/687452175.db2.gz OLBFJKDFCJNIID-UWVGGRQHSA-N 1 2 361.395 1.456 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000493768187 687452177 /nfs/dbraw/zinc/45/21/77/687452177.db2.gz OLBFJKDFCJNIID-UWVGGRQHSA-N 1 2 361.395 1.456 20 5 FDBDLO CC[N@@H+]1CCO[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000498152975 687754525 /nfs/dbraw/zinc/75/45/25/687754525.db2.gz LXPHEKSDSQVHQG-GOEBONIOSA-N 1 2 351.428 1.890 20 5 FDBDLO CC[N@H+]1CCO[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000498152975 687754530 /nfs/dbraw/zinc/75/45/30/687754530.db2.gz LXPHEKSDSQVHQG-GOEBONIOSA-N 1 2 351.428 1.890 20 5 FDBDLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516475547 689954102 /nfs/dbraw/zinc/95/41/02/689954102.db2.gz HXLDCMQKHITVEN-UHFFFAOYSA-N 1 2 365.777 1.980 20 5 FDBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000521478998 694397080 /nfs/dbraw/zinc/39/70/80/694397080.db2.gz MSKBJDUYXDVKOX-AWEZNQCLSA-N 1 2 350.419 1.624 20 5 FDBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000521478998 694397084 /nfs/dbraw/zinc/39/70/84/694397084.db2.gz MSKBJDUYXDVKOX-AWEZNQCLSA-N 1 2 350.419 1.624 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000784921715 769378274 /nfs/dbraw/zinc/37/82/74/769378274.db2.gz MZPXXXRUNPZQCU-LBPRGKRZSA-N 1 2 367.358 1.700 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000430226066 770147760 /nfs/dbraw/zinc/14/77/60/770147760.db2.gz ZPSDNIUAOAHHRY-ZDUSSCGKSA-N 1 2 362.430 1.388 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261776468 774429790 /nfs/dbraw/zinc/42/97/90/774429790.db2.gz PTNISGLNUJLFGS-UHFFFAOYSA-N 1 2 370.413 1.618 20 5 FDBDLO Cc1ccoc1-c1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001022064116 777701578 /nfs/dbraw/zinc/70/15/78/777701578.db2.gz WXXXYDYWSVDUOC-WRWGMCAJSA-N 1 2 361.358 1.040 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)c(N(C)C)[nH+]1 ZINC000135184113 783329283 /nfs/dbraw/zinc/32/92/83/783329283.db2.gz DDIIHGXOLFGIMP-UHFFFAOYSA-N 1 2 371.397 1.662 20 5 FDBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000785210547 783887090 /nfs/dbraw/zinc/88/70/90/783887090.db2.gz RLBPXCCDCYZTNL-FYWRMAATSA-N 1 2 374.441 1.669 20 5 FDBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000785210547 783887096 /nfs/dbraw/zinc/88/70/96/783887096.db2.gz RLBPXCCDCYZTNL-FYWRMAATSA-N 1 2 374.441 1.669 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364390378 785045396 /nfs/dbraw/zinc/04/53/96/785045396.db2.gz YHRZGCXKXPDHHZ-UHFFFAOYSA-N 1 2 363.414 1.875 20 5 FDBDLO CN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+]1CCOCC1 ZINC000414056236 786760336 /nfs/dbraw/zinc/76/03/36/786760336.db2.gz YUODPVCGMDSMSS-UHFFFAOYSA-N 1 2 361.402 1.654 20 5 FDBDLO CC1(C)SC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000782872533 788328604 /nfs/dbraw/zinc/32/86/04/788328604.db2.gz UPCZFEDVHSDDRB-UHFFFAOYSA-N 1 2 353.404 1.860 20 5 FDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930827919 795180750 /nfs/dbraw/zinc/18/07/50/795180750.db2.gz XNYRBLPTDBLGCT-CMPLNLGQSA-N 1 2 373.203 1.713 20 5 FDBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930827919 795180757 /nfs/dbraw/zinc/18/07/57/795180757.db2.gz XNYRBLPTDBLGCT-CMPLNLGQSA-N 1 2 373.203 1.713 20 5 FDBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432331139 807208753 /nfs/dbraw/zinc/20/87/53/807208753.db2.gz JJPBDGNTUNCCAH-CYBMUJFWSA-N 1 2 369.425 1.932 20 5 FDBDLO CC(=O)Nc1cccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136852 807575582 /nfs/dbraw/zinc/57/55/82/807575582.db2.gz IVOKYYUWAGVULX-IAGOWNOFSA-N 1 2 360.414 1.345 20 5 FDBDLO CC(=O)Nc1cccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981136852 807575587 /nfs/dbraw/zinc/57/55/87/807575587.db2.gz IVOKYYUWAGVULX-IAGOWNOFSA-N 1 2 360.414 1.345 20 5 FDBDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1(F)F ZINC000893939575 809823412 /nfs/dbraw/zinc/82/34/12/809823412.db2.gz KQMLERIEZQRPQW-WCQYABFASA-N 1 2 356.329 1.166 20 5 FDBDLO O=C1C[C@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000424523651 815385691 /nfs/dbraw/zinc/38/56/91/815385691.db2.gz JSWNIILFRSJIHU-CABCVRRESA-N 1 2 370.369 1.155 20 5 FDBDLO O=C1C[C@H]([N@H+]2CCC[C@@H](n3ccnn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000424523651 815385698 /nfs/dbraw/zinc/38/56/98/815385698.db2.gz JSWNIILFRSJIHU-CABCVRRESA-N 1 2 370.369 1.155 20 5 FDBDLO CC(C)C[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000433827424 811499869 /nfs/dbraw/zinc/49/98/69/811499869.db2.gz YWRUWWQMKXIRQI-ZDUSSCGKSA-N 1 2 367.450 1.918 20 5 FDBDLO Cc1cccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1[N+](=O)[O-] ZINC000433953048 811612564 /nfs/dbraw/zinc/61/25/64/811612564.db2.gz ISWLLLWYMRWFEC-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO Cc1cccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1[N+](=O)[O-] ZINC000433953048 811612569 /nfs/dbraw/zinc/61/25/69/811612569.db2.gz ISWLLLWYMRWFEC-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366469885 812241871 /nfs/dbraw/zinc/24/18/71/812241871.db2.gz IDLXOUIPUBCHJN-MRXNPFEDSA-N 1 2 362.430 1.642 20 5 FDBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366469885 812241877 /nfs/dbraw/zinc/24/18/77/812241877.db2.gz IDLXOUIPUBCHJN-MRXNPFEDSA-N 1 2 362.430 1.642 20 5 FDBDLO CN(CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000367098676 814323921 /nfs/dbraw/zinc/32/39/21/814323921.db2.gz HRWIJALGDDTYJD-OAHLLOKOSA-N 1 2 355.398 1.599 20 5 FDBDLO Cn1ccnc1[C@@H]([NH2+]CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000514105420 815599358 /nfs/dbraw/zinc/59/93/58/815599358.db2.gz RGIZKOYLFRJSLU-KRWDZBQOSA-N 1 2 359.430 1.730 20 5 FDBDLO COc1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000505506964 815753530 /nfs/dbraw/zinc/75/35/30/815753530.db2.gz OWNBASTXIYFVFA-UHFFFAOYSA-N 1 2 367.402 1.453 20 5 FDBDLO COc1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000505506964 815753533 /nfs/dbraw/zinc/75/35/33/815753533.db2.gz OWNBASTXIYFVFA-UHFFFAOYSA-N 1 2 367.402 1.453 20 5 FDBDLO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000894802011 818459304 /nfs/dbraw/zinc/45/93/04/818459304.db2.gz LOHREALWPCAROP-KBPBESRZSA-N 1 2 366.393 1.746 20 5 FDBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000473870030 818913844 /nfs/dbraw/zinc/91/38/44/818913844.db2.gz 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C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000896546003 824542196 /nfs/dbraw/zinc/54/21/96/824542196.db2.gz SLXWFPHTKRZDPS-ZUZCIYMTSA-N 1 2 372.828 1.680 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447679925 828830888 /nfs/dbraw/zinc/83/08/88/828830888.db2.gz MJMOFSMQKYCJPH-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447679925 828830895 /nfs/dbraw/zinc/83/08/95/828830895.db2.gz MJMOFSMQKYCJPH-UHFFFAOYSA-N 1 2 368.393 1.999 20 5 FDBDLO CC[N@H+](CCC(=O)OC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000738099906 827029209 /nfs/dbraw/zinc/02/92/09/827029209.db2.gz QXYFOFRKDCFXOF-UHFFFAOYSA-N 1 2 362.386 1.698 20 5 FDBDLO CC[N@@H+](CCC(=O)OC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000738099906 827029216 /nfs/dbraw/zinc/02/92/16/827029216.db2.gz QXYFOFRKDCFXOF-UHFFFAOYSA-N 1 2 362.386 1.698 20 5 FDBDLO Cn1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 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CC(C)c1[nH]nc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000287462270 183298290 /nfs/dbraw/zinc/29/82/90/183298290.db2.gz SBWPZRLCZPYBRB-NWDGAFQWSA-N 1 2 351.407 1.377 20 5 FDBDLO CCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295047945 184029613 /nfs/dbraw/zinc/02/96/13/184029613.db2.gz JTBHQTATSMPRAC-UHFFFAOYSA-N 1 2 368.409 1.594 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000295211030 184046295 /nfs/dbraw/zinc/04/62/95/184046295.db2.gz PGFZKZWIGAHFQF-UHFFFAOYSA-N 1 2 367.431 1.771 20 5 FDBDLO Cc1nn(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1[N+](=O)[O-] ZINC000295145128 184037875 /nfs/dbraw/zinc/03/78/75/184037875.db2.gz FHAHSRGEFRLVMP-UHFFFAOYSA-N 1 2 350.404 1.791 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)c1C ZINC000295243845 184049089 /nfs/dbraw/zinc/04/90/89/184049089.db2.gz VLRFDBCOZLHSCI-UHFFFAOYSA-N 1 2 367.431 1.771 20 5 FDBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000295459732 184073799 /nfs/dbraw/zinc/07/37/99/184073799.db2.gz FNEFKSFPHCPEHO-ZDUSSCGKSA-N 1 2 350.375 1.356 20 5 FDBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000295459732 184073800 /nfs/dbraw/zinc/07/38/00/184073800.db2.gz FNEFKSFPHCPEHO-ZDUSSCGKSA-N 1 2 350.375 1.356 20 5 FDBDLO CCOC(=O)[C@H](F)C1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295935322 184115641 /nfs/dbraw/zinc/11/56/41/184115641.db2.gz ICDGGPLOBMUAOX-SWLSCSKDSA-N 1 2 356.350 1.168 20 5 FDBDLO O=C(C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1)NC1CC1 ZINC000296185414 184138780 /nfs/dbraw/zinc/13/87/80/184138780.db2.gz BGFSCGKOPLYZLC-UHFFFAOYSA-N 1 2 355.398 1.544 20 5 FDBDLO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000298117555 184395801 /nfs/dbraw/zinc/39/58/01/184395801.db2.gz MRGKBXCVBHFZOD-CHWSQXEVSA-N 1 2 364.402 1.067 20 5 FDBDLO CN(CC[NH+]1CCOCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000547277943 542297752 /nfs/dbraw/zinc/29/77/52/542297752.db2.gz IUMGNNXACBPILH-UHFFFAOYSA-N 1 2 353.394 1.802 20 5 FDBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000547729938 542429728 /nfs/dbraw/zinc/42/97/28/542429728.db2.gz HWBLOCQJFNDBQH-ZDUSSCGKSA-N 1 2 358.402 1.918 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000548297767 542614890 /nfs/dbraw/zinc/61/48/90/542614890.db2.gz VSPHNQDEIARLCA-UHFFFAOYSA-N 1 2 356.335 1.185 20 5 FDBDLO CN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000173084106 258291339 /nfs/dbraw/zinc/29/13/39/258291339.db2.gz FPLPRPWKVKKTKP-UHFFFAOYSA-N 1 2 350.419 1.258 20 5 FDBDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548489426 542681509 /nfs/dbraw/zinc/68/15/09/542681509.db2.gz GNVQPZBCMUESAV-UHFFFAOYSA-N 1 2 355.354 1.038 20 5 FDBDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548489426 542681515 /nfs/dbraw/zinc/68/15/15/542681515.db2.gz GNVQPZBCMUESAV-UHFFFAOYSA-N 1 2 355.354 1.038 20 5 FDBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000552075355 543414276 /nfs/dbraw/zinc/41/42/76/543414276.db2.gz UWSDKUWXZCEHPL-LLVKDONJSA-N 1 2 351.359 1.010 20 5 FDBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000022747669 171873260 /nfs/dbraw/zinc/87/32/60/171873260.db2.gz RRALCBNQQSHGPC-OAHLLOKOSA-N 1 2 362.430 1.132 20 5 FDBDLO CCCc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1[N+](=O)[O-] ZINC000068459541 172018932 /nfs/dbraw/zinc/01/89/32/172018932.db2.gz IIGUPRDQBLXFKO-UHFFFAOYSA-N 1 2 350.404 1.967 20 5 FDBDLO CCCc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1[N+](=O)[O-] ZINC000068459541 172018934 /nfs/dbraw/zinc/01/89/34/172018934.db2.gz IIGUPRDQBLXFKO-UHFFFAOYSA-N 1 2 350.404 1.967 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000072767189 172049115 /nfs/dbraw/zinc/04/91/15/172049115.db2.gz GQBKHRAVVXKGRC-INIZCTEOSA-N 1 2 362.430 1.638 20 5 FDBDLO COc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000074391320 172080412 /nfs/dbraw/zinc/08/04/12/172080412.db2.gz AZXQSKHMQVTFHM-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607584 172235254 /nfs/dbraw/zinc/23/52/54/172235254.db2.gz OVVZVEORFQNFJL-INIZCTEOSA-N 1 2 360.414 1.080 20 5 FDBDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607584 172235255 /nfs/dbraw/zinc/23/52/55/172235255.db2.gz OVVZVEORFQNFJL-INIZCTEOSA-N 1 2 360.414 1.080 20 5 FDBDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607582 172235692 /nfs/dbraw/zinc/23/56/92/172235692.db2.gz OVVZVEORFQNFJL-MRXNPFEDSA-N 1 2 360.414 1.080 20 5 FDBDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088607582 172235694 /nfs/dbraw/zinc/23/56/94/172235694.db2.gz OVVZVEORFQNFJL-MRXNPFEDSA-N 1 2 360.414 1.080 20 5 FDBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089933819 172251944 /nfs/dbraw/zinc/25/19/44/172251944.db2.gz YZNINXNTOPAQTO-CQSZACIVSA-N 1 2 366.399 1.373 20 5 FDBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089933819 172251945 /nfs/dbraw/zinc/25/19/45/172251945.db2.gz YZNINXNTOPAQTO-CQSZACIVSA-N 1 2 366.399 1.373 20 5 FDBDLO CC(C)(O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093434505 172318208 /nfs/dbraw/zinc/31/82/08/172318208.db2.gz MZSQTBOMBFKTKO-UHFFFAOYSA-N 1 2 359.224 1.645 20 5 FDBDLO COC(=O)C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000093458215 172318537 /nfs/dbraw/zinc/31/85/37/172318537.db2.gz IPFCQKZKOAYEOW-MRXNPFEDSA-N 1 2 374.397 1.759 20 5 FDBDLO COC(=O)C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000093458215 172318539 /nfs/dbraw/zinc/31/85/39/172318539.db2.gz IPFCQKZKOAYEOW-MRXNPFEDSA-N 1 2 374.397 1.759 20 5 FDBDLO O=C(CN1CC[NH+](Cc2cccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000125342530 173002224 /nfs/dbraw/zinc/00/22/24/173002224.db2.gz NSFJPEBPCIOROS-UHFFFAOYSA-N 1 2 355.398 1.746 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127451030 173077031 /nfs/dbraw/zinc/07/70/31/173077031.db2.gz HWQCMLREKNTDGF-CYBMUJFWSA-N 1 2 353.350 1.092 20 5 FDBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127451030 173077034 /nfs/dbraw/zinc/07/70/34/173077034.db2.gz HWQCMLREKNTDGF-CYBMUJFWSA-N 1 2 353.350 1.092 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000130805653 173181114 /nfs/dbraw/zinc/18/11/14/173181114.db2.gz UALHAWATIKGIRO-KBPBESRZSA-N 1 2 369.381 1.664 20 5 FDBDLO Nc1c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000175931240 174037747 /nfs/dbraw/zinc/03/77/47/174037747.db2.gz NDWUVBRCYVVWBR-UHFFFAOYSA-N 1 2 357.370 1.339 20 5 FDBDLO O=C(c1c(F)cccc1F)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176227992 174059511 /nfs/dbraw/zinc/05/95/11/174059511.db2.gz HLJULTUSXHLWHE-UHFFFAOYSA-N 1 2 365.340 1.528 20 5 FDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178600391 174195914 /nfs/dbraw/zinc/19/59/14/174195914.db2.gz QVEFMGWGWGPGJG-AWEZNQCLSA-N 1 2 357.407 1.734 20 5 FDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000178600391 174195915 /nfs/dbraw/zinc/19/59/15/174195915.db2.gz QVEFMGWGWGPGJG-AWEZNQCLSA-N 1 2 357.407 1.734 20 5 FDBDLO COc1cc(C[N@H+](CC(N)=O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179935213 258359787 /nfs/dbraw/zinc/35/97/87/258359787.db2.gz GLHVVGKURRWYQX-UHFFFAOYSA-N 1 2 361.345 1.943 20 5 FDBDLO COc1cc(C[N@@H+](CC(N)=O)C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179935213 258359788 /nfs/dbraw/zinc/35/97/88/258359788.db2.gz GLHVVGKURRWYQX-UHFFFAOYSA-N 1 2 361.345 1.943 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000173750244 258309571 /nfs/dbraw/zinc/30/95/71/258309571.db2.gz ZSMKGYVHMXVIPO-CQSZACIVSA-N 1 2 369.443 1.389 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000173892422 258313640 /nfs/dbraw/zinc/31/36/40/258313640.db2.gz WCMZCFDXTGIOEA-OAHLLOKOSA-N 1 2 369.443 1.470 20 5 FDBDLO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174199735 258321315 /nfs/dbraw/zinc/32/13/15/258321315.db2.gz WOCZLDIMOWEJFS-GFCCVEGCSA-N 1 2 359.386 1.265 20 5 FDBDLO COC(=O)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178887631 258338839 /nfs/dbraw/zinc/33/88/39/258338839.db2.gz HPIVETNLJHYNGD-CYBMUJFWSA-N 1 2 358.354 1.948 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000278963263 258523739 /nfs/dbraw/zinc/52/37/39/258523739.db2.gz XAKPTIQNPZKEMP-OAHLLOKOSA-N 1 2 352.778 1.399 20 5 FDBDLO O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000278963263 258523740 /nfs/dbraw/zinc/52/37/40/258523740.db2.gz XAKPTIQNPZKEMP-OAHLLOKOSA-N 1 2 352.778 1.399 20 5 FDBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)c1 ZINC000555113668 543914473 /nfs/dbraw/zinc/91/44/73/543914473.db2.gz YHKKSTZZDWXAQN-ZDUSSCGKSA-N 1 2 351.403 1.834 20 5 FDBDLO 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FDBDLO Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)ncc1[N+](=O)[O-] ZINC000590684748 551805140 /nfs/dbraw/zinc/80/51/40/551805140.db2.gz SXHRNYWVRSJBLV-UHFFFAOYSA-N 1 2 371.397 1.787 20 5 FDBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000590763354 551814463 /nfs/dbraw/zinc/81/44/63/551814463.db2.gz YDNZIJICZONLBN-ZJUUUORDSA-N 1 2 352.372 1.784 20 5 FDBDLO CCc1ccc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000592383592 551986834 /nfs/dbraw/zinc/98/68/34/551986834.db2.gz LSVBMNWNVQYZTN-LBPRGKRZSA-N 1 2 352.416 1.968 20 5 FDBDLO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593656211 552164993 /nfs/dbraw/zinc/16/49/93/552164993.db2.gz CQDMTPWTCHJICZ-UHFFFAOYSA-N 1 2 354.370 1.863 20 5 FDBDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595374819 552540800 /nfs/dbraw/zinc/54/08/00/552540800.db2.gz LRXBDXSNFUVVOU-GFCCVEGCSA-N 1 2 374.401 1.884 20 5 FDBDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595374819 552540801 /nfs/dbraw/zinc/54/08/01/552540801.db2.gz LRXBDXSNFUVVOU-GFCCVEGCSA-N 1 2 374.401 1.884 20 5 FDBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000595382066 552543009 /nfs/dbraw/zinc/54/30/09/552543009.db2.gz CDRSUKYUDSSBRR-LBPRGKRZSA-N 1 2 371.376 1.882 20 5 FDBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000595382066 552543010 /nfs/dbraw/zinc/54/30/10/552543010.db2.gz CDRSUKYUDSSBRR-LBPRGKRZSA-N 1 2 371.376 1.882 20 5 FDBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1[N+](=O)[O-] ZINC000595415844 552555392 /nfs/dbraw/zinc/55/53/92/552555392.db2.gz RLLIYBXSLYFRNS-JTQLQIEISA-N 1 2 368.415 1.992 20 5 FDBDLO Cc1noc(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000595503406 552573922 /nfs/dbraw/zinc/57/39/22/552573922.db2.gz URTHHJPECZMEDD-UHFFFAOYSA-N 1 2 370.387 1.049 20 5 FDBDLO Cc1noc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000595503406 552573924 /nfs/dbraw/zinc/57/39/24/552573924.db2.gz URTHHJPECZMEDD-UHFFFAOYSA-N 1 2 370.387 1.049 20 5 FDBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ncns2)CC1 ZINC000595515165 552576284 /nfs/dbraw/zinc/57/62/84/552576284.db2.gz HSHHKSJUKQSRJH-LBPRGKRZSA-N 1 2 365.415 1.008 20 5 FDBDLO COc1ccc(OCC[NH+]2CCN(c3ncns3)CC2)c([N+](=O)[O-])c1 ZINC000595516200 552576917 /nfs/dbraw/zinc/57/69/17/552576917.db2.gz PNSIANYRYZXKIL-UHFFFAOYSA-N 1 2 365.415 1.656 20 5 FDBDLO COc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000596180362 552662509 /nfs/dbraw/zinc/66/25/09/552662509.db2.gz XOAJSSPENLGDLR-OLZOCXBDSA-N 1 2 366.418 1.512 20 5 FDBDLO COc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000596180362 552662511 /nfs/dbraw/zinc/66/25/11/552662511.db2.gz XOAJSSPENLGDLR-OLZOCXBDSA-N 1 2 366.418 1.512 20 5 FDBDLO CCOC(=O)c1ccnc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596430371 552678499 /nfs/dbraw/zinc/67/84/99/552678499.db2.gz MDIUYTBBMNMXNR-RYUDHWBXSA-N 1 2 352.391 1.688 20 5 FDBDLO CCOC(=O)c1ccnc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596430371 552678500 /nfs/dbraw/zinc/67/85/00/552678500.db2.gz MDIUYTBBMNMXNR-RYUDHWBXSA-N 1 2 352.391 1.688 20 5 FDBDLO Cc1nn(C)c(NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596552733 552688434 /nfs/dbraw/zinc/68/84/34/552688434.db2.gz VLIUHNXBBRTDPE-MRXNPFEDSA-N 1 2 358.446 1.865 20 5 FDBDLO Cc1nn(C)c(NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596552733 552688436 /nfs/dbraw/zinc/68/84/36/552688436.db2.gz VLIUHNXBBRTDPE-MRXNPFEDSA-N 1 2 358.446 1.865 20 5 FDBDLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597265217 552766834 /nfs/dbraw/zinc/76/68/34/552766834.db2.gz QSQRCESRDQSMOH-VXGBXAGGSA-N 1 2 356.386 1.531 20 5 FDBDLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000597265217 552766835 /nfs/dbraw/zinc/76/68/35/552766835.db2.gz QSQRCESRDQSMOH-VXGBXAGGSA-N 1 2 356.386 1.531 20 5 FDBDLO CNc1c(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)cccc1[N+](=O)[O-] ZINC000597641304 552816527 /nfs/dbraw/zinc/81/65/27/552816527.db2.gz QPJWEMZGSOGMOU-GFCCVEGCSA-N 1 2 374.401 1.662 20 5 FDBDLO CNc1c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)cccc1[N+](=O)[O-] ZINC000597641304 552816530 /nfs/dbraw/zinc/81/65/30/552816530.db2.gz QPJWEMZGSOGMOU-GFCCVEGCSA-N 1 2 374.401 1.662 20 5 FDBDLO CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597709852 552824800 /nfs/dbraw/zinc/82/48/00/552824800.db2.gz MYKXWOCKTAMVRK-HNNXBMFYSA-N 1 2 363.414 1.930 20 5 FDBDLO COc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000597846446 552840093 /nfs/dbraw/zinc/84/00/93/552840093.db2.gz LSLOZORASZJUPS-CQSZACIVSA-N 1 2 362.386 1.827 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597995342 552854349 /nfs/dbraw/zinc/85/43/49/552854349.db2.gz MGOMDWXGYZRGDM-MNOVXSKESA-N 1 2 351.359 1.163 20 5 FDBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597995342 552854350 /nfs/dbraw/zinc/85/43/50/552854350.db2.gz MGOMDWXGYZRGDM-MNOVXSKESA-N 1 2 351.359 1.163 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000598179352 552872834 /nfs/dbraw/zinc/87/28/34/552872834.db2.gz ZVMQCTGOBITYRD-ZIAGYGMSSA-N 1 2 369.381 1.521 20 5 FDBDLO C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000598459259 552898402 /nfs/dbraw/zinc/89/84/02/552898402.db2.gz GOMWKYRKFWIGGK-NSHDSACASA-N 1 2 360.374 1.005 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606939 552914637 /nfs/dbraw/zinc/91/46/37/552914637.db2.gz JTFMEXSCSKDUAB-STQMWFEESA-N 1 2 371.459 1.287 20 5 FDBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598606939 552914639 /nfs/dbraw/zinc/91/46/39/552914639.db2.gz JTFMEXSCSKDUAB-STQMWFEESA-N 1 2 371.459 1.287 20 5 FDBDLO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCCCn1cc[nH+]c1 ZINC000598898916 552941417 /nfs/dbraw/zinc/94/14/17/552941417.db2.gz WFKZARZYYOVJQH-UHFFFAOYSA-N 1 2 360.374 1.509 20 5 FDBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000598951151 552950958 /nfs/dbraw/zinc/95/09/58/552950958.db2.gz XKKXKTSKUSKJSL-GFCCVEGCSA-N 1 2 353.342 1.117 20 5 FDBDLO CC(C)NC(=O)C(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599014556 552958177 /nfs/dbraw/zinc/95/81/77/552958177.db2.gz BWMUIJDIBLGHHJ-UHFFFAOYSA-N 1 2 371.397 1.316 20 5 FDBDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000599455581 553061615 /nfs/dbraw/zinc/06/16/15/553061615.db2.gz STGBLUQPRVIONK-UHFFFAOYSA-N 1 2 369.443 1.470 20 5 FDBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676153 553119717 /nfs/dbraw/zinc/11/97/17/553119717.db2.gz IBVDKUZXHFZLEL-MRXNPFEDSA-N 1 2 369.377 1.966 20 5 FDBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676153 553119718 /nfs/dbraw/zinc/11/97/18/553119718.db2.gz IBVDKUZXHFZLEL-MRXNPFEDSA-N 1 2 369.377 1.966 20 5 FDBDLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000599684787 553121470 /nfs/dbraw/zinc/12/14/70/553121470.db2.gz ISIZUCBDUFNOHH-GXTWGEPZSA-N 1 2 372.341 1.956 20 5 FDBDLO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCc2[nH]c[nH+]c2C1 ZINC000599951542 553183674 /nfs/dbraw/zinc/18/36/74/553183674.db2.gz DWXPKJJVVAANGA-UHFFFAOYSA-N 1 2 369.337 1.170 20 5 FDBDLO O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000599951542 553183675 /nfs/dbraw/zinc/18/36/75/553183675.db2.gz DWXPKJJVVAANGA-UHFFFAOYSA-N 1 2 369.337 1.170 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000600485379 553275492 /nfs/dbraw/zinc/27/54/92/553275492.db2.gz YBKVGWILGBFIPV-CIICLBFASA-N 1 2 374.422 1.906 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000600538426 553282114 /nfs/dbraw/zinc/28/21/14/553282114.db2.gz STMXROWRQRYFIC-KRWDZBQOSA-N 1 2 360.370 1.466 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000600538695 553282121 /nfs/dbraw/zinc/28/21/21/553282121.db2.gz VKMXYZLMNWDEHR-XIKOKIGWSA-N 1 2 372.381 1.558 20 5 FDBDLO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600677840 553298421 /nfs/dbraw/zinc/29/84/21/553298421.db2.gz JNVRDDUJGGZVNZ-UHFFFAOYSA-N 1 2 354.370 1.757 20 5 FDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000600677980 553298562 /nfs/dbraw/zinc/29/85/62/553298562.db2.gz FRELUUZRGKTDEU-UHFFFAOYSA-N 1 2 354.370 1.757 20 5 FDBDLO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000600682858 553299603 /nfs/dbraw/zinc/29/96/03/553299603.db2.gz OBAWSHRFGRATAB-QGZVFWFLSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1[N+](=O)[O-] ZINC000600682858 553299605 /nfs/dbraw/zinc/29/96/05/553299605.db2.gz OBAWSHRFGRATAB-QGZVFWFLSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc([N+](=O)[O-])c1 ZINC000600685533 553300148 /nfs/dbraw/zinc/30/01/48/553300148.db2.gz VJXLTZWLXCWQKG-GOSISDBHSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc([N+](=O)[O-])c1 ZINC000600685533 553300149 /nfs/dbraw/zinc/30/01/49/553300149.db2.gz VJXLTZWLXCWQKG-GOSISDBHSA-N 1 2 370.409 1.929 20 5 FDBDLO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC(C)(C)C[NH+]1CCOCC1 ZINC000601175899 553356238 /nfs/dbraw/zinc/35/62/38/553356238.db2.gz LDUPJUPVNWWUFT-UHFFFAOYSA-N 1 2 351.329 1.870 20 5 FDBDLO C[C@@H]1C[N@H+](CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)CO1 ZINC000601194338 553358375 /nfs/dbraw/zinc/35/83/75/553358375.db2.gz ZAKKLYGIGIYXDY-DTWKUNHWSA-N 1 2 351.329 1.868 20 5 FDBDLO C[C@@H]1C[N@@H+](CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)CO1 ZINC000601194338 553358377 /nfs/dbraw/zinc/35/83/77/553358377.db2.gz ZAKKLYGIGIYXDY-DTWKUNHWSA-N 1 2 351.329 1.868 20 5 FDBDLO Cc1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000601374134 553388040 /nfs/dbraw/zinc/38/80/40/553388040.db2.gz BDILSWVZJZLVAU-UHFFFAOYSA-N 1 2 356.379 1.950 20 5 FDBDLO O=C(NCC1([NH+]2CCOCC2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601534991 553431514 /nfs/dbraw/zinc/43/15/14/553431514.db2.gz VBBLOMSTZVGWKX-UHFFFAOYSA-N 1 2 359.426 1.998 20 5 FDBDLO Cc1cc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc([N+](=O)[O-])c1 ZINC000601894988 553488917 /nfs/dbraw/zinc/48/89/17/553488917.db2.gz UFHWMHJUHYEPOU-UHFFFAOYSA-N 1 2 355.398 1.694 20 5 FDBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602488844 553591892 /nfs/dbraw/zinc/59/18/92/553591892.db2.gz WYLDQBVDBPHMNM-LLVKDONJSA-N 1 2 367.349 1.737 20 5 FDBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602488844 553591893 /nfs/dbraw/zinc/59/18/93/553591893.db2.gz WYLDQBVDBPHMNM-LLVKDONJSA-N 1 2 367.349 1.737 20 5 FDBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000602791141 553639164 /nfs/dbraw/zinc/63/91/64/553639164.db2.gz LNDRAVSEQZUFJY-UHFFFAOYSA-N 1 2 357.414 1.866 20 5 FDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000608904455 554328218 /nfs/dbraw/zinc/32/82/18/554328218.db2.gz XPVZOJILFONSOR-UHFFFAOYSA-N 1 2 359.386 1.185 20 5 FDBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000608972033 554331376 /nfs/dbraw/zinc/33/13/76/554331376.db2.gz ZCXRTURHAPIFSZ-GJZGRUSLSA-N 1 2 361.446 1.616 20 5 FDBDLO CCOC(=O)c1ccnc(N2CC[NH+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000609963797 554445155 /nfs/dbraw/zinc/44/51/55/554445155.db2.gz PGXFUYIIVDKBRJ-UHFFFAOYSA-N 1 2 374.401 1.222 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@H](CCO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610213637 554474375 /nfs/dbraw/zinc/47/43/75/554474375.db2.gz LFACXYAVMABYFZ-NSHDSACASA-N 1 2 351.359 1.356 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@H](CCO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610213637 554474378 /nfs/dbraw/zinc/47/43/78/554474378.db2.gz LFACXYAVMABYFZ-NSHDSACASA-N 1 2 351.359 1.356 20 5 FDBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCCOC3)CC2)c1 ZINC000610560011 554527946 /nfs/dbraw/zinc/52/79/46/554527946.db2.gz LQZGQMWMKGLGSC-CQSZACIVSA-N 1 2 355.416 1.080 20 5 FDBDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610604535 554537977 /nfs/dbraw/zinc/53/79/77/554537977.db2.gz WRAZGKRULXLXLW-UHFFFAOYSA-N 1 2 354.388 1.203 20 5 FDBDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610604535 554537980 /nfs/dbraw/zinc/53/79/80/554537980.db2.gz WRAZGKRULXLXLW-UHFFFAOYSA-N 1 2 354.388 1.203 20 5 FDBDLO CC(C)c1n[nH]c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000610922889 554581307 /nfs/dbraw/zinc/58/13/07/554581307.db2.gz UJJSKMVLECGQFZ-ZDUSSCGKSA-N 1 2 365.434 1.768 20 5 FDBDLO CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000610922889 554581309 /nfs/dbraw/zinc/58/13/09/554581309.db2.gz UJJSKMVLECGQFZ-ZDUSSCGKSA-N 1 2 365.434 1.768 20 5 FDBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCOC3(CCOCC3)C1)OCCO2 ZINC000611285573 554622433 /nfs/dbraw/zinc/62/24/33/554622433.db2.gz FHFDILSIVMPFHR-UHFFFAOYSA-N 1 2 350.371 1.747 20 5 FDBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCOC3(CCOCC3)C1)OCCO2 ZINC000611285573 554622434 /nfs/dbraw/zinc/62/24/34/554622434.db2.gz FHFDILSIVMPFHR-UHFFFAOYSA-N 1 2 350.371 1.747 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000612188671 554747503 /nfs/dbraw/zinc/74/75/03/554747503.db2.gz QBBZPRLGTUCSBB-UHFFFAOYSA-N 1 2 363.414 1.971 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000612188671 554747507 /nfs/dbraw/zinc/74/75/07/554747507.db2.gz QBBZPRLGTUCSBB-UHFFFAOYSA-N 1 2 363.414 1.971 20 5 FDBDLO COC(=O)C1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000615990652 555261473 /nfs/dbraw/zinc/26/14/73/555261473.db2.gz HCHVBAAZATYMME-UHFFFAOYSA-N 1 2 363.414 1.816 20 5 FDBDLO C[C@@H]1C[C@H]1N1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1=O ZINC000619153992 555731208 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O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000898496376 844771498 /nfs/dbraw/zinc/77/14/98/844771498.db2.gz TUMWNQAXXZCQQB-CYBMUJFWSA-N 1 2 361.377 1.944 20 5 FDBDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000898496376 844771501 /nfs/dbraw/zinc/77/15/01/844771501.db2.gz TUMWNQAXXZCQQB-CYBMUJFWSA-N 1 2 361.377 1.944 20 5 FDBDLO Cn1cc([C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)CC[NH2+]2)cn1 ZINC000913474144 862195189 /nfs/dbraw/zinc/19/51/89/862195189.db2.gz HXAUFENPVMKWIX-LBPRGKRZSA-N 1 2 367.768 1.908 20 5 FDBDLO C[N@@H+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000913539784 862332949 /nfs/dbraw/zinc/33/29/49/862332949.db2.gz HUVSLNMRHGNJRV-VIFPVBQESA-N 1 2 358.192 1.106 20 5 FDBDLO C[N@H+]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1CO ZINC000913539784 862332962 /nfs/dbraw/zinc/33/29/62/862332962.db2.gz HUVSLNMRHGNJRV-VIFPVBQESA-N 1 2 358.192 1.106 20 5 FDBDLO COc1ccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000907301391 854044778 /nfs/dbraw/zinc/04/47/78/854044778.db2.gz ZBAAGPBDSXNXHV-UHFFFAOYSA-N 1 2 374.397 1.989 20 5 FDBDLO C[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912739846 860111786 /nfs/dbraw/zinc/11/17/86/860111786.db2.gz IKSMNJPLQAFGPN-LLVKDONJSA-N 1 2 359.835 1.475 20 5 FDBDLO C[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912739846 860111791 /nfs/dbraw/zinc/11/17/91/860111791.db2.gz IKSMNJPLQAFGPN-LLVKDONJSA-N 1 2 359.835 1.475 20 5 FDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290672 864889682 /nfs/dbraw/zinc/88/96/82/864889682.db2.gz BZRSBGGAAWIZTG-ZDUSSCGKSA-N 1 2 367.431 1.224 20 5 FDBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290672 864889688 /nfs/dbraw/zinc/88/96/88/864889688.db2.gz BZRSBGGAAWIZTG-ZDUSSCGKSA-N 1 2 367.431 1.224 20 5 FDBDLO Cn1c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000497908536 883876635 /nfs/dbraw/zinc/87/66/35/883876635.db2.gz 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258311765 /nfs/dbraw/zinc/31/17/65/258311765.db2.gz YRZOWXJLZQYXKH-UHFFFAOYSA-N 1 2 373.417 1.471 20 5 FDBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178607199 258329778 /nfs/dbraw/zinc/32/97/78/258329778.db2.gz VGURPXGJBITGAN-OCCSQVGLSA-N 1 2 350.444 1.191 20 5 FDBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178637113 258330799 /nfs/dbraw/zinc/33/07/99/258330799.db2.gz ZHILQMHLWFXDMU-ZDUSSCGKSA-N 1 2 369.219 1.087 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000189984029 258388247 /nfs/dbraw/zinc/38/82/47/258388247.db2.gz PZWZLDDQUQOSDS-GFCCVEGCSA-N 1 2 371.459 1.458 20 5 FDBDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000194137785 258394413 /nfs/dbraw/zinc/39/44/13/258394413.db2.gz DDZMMFYGFJVFAQ-UHFFFAOYSA-N 1 2 363.823 1.201 20 5 FDBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000555122300 543916256 /nfs/dbraw/zinc/91/62/56/543916256.db2.gz UVZJEZHDGOHOBF-UHFFFAOYSA-N 1 2 361.383 1.773 20 5 FDBDLO CNc1nccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000557464909 544295145 /nfs/dbraw/zinc/29/51/45/544295145.db2.gz AUSOZZVPSHTYAI-UHFFFAOYSA-N 1 2 354.370 2.120 20 5 FDBDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000558540157 544460836 /nfs/dbraw/zinc/46/08/36/544460836.db2.gz SAQAKSHEVSCTFE-UHFFFAOYSA-N 1 2 369.284 1.185 20 5 FDBDLO CCn1cc(S(=O)(=O)N(CCOC)c2cc[nH+]cc2)c([N+](=O)[O-])n1 ZINC000559139098 544595048 /nfs/dbraw/zinc/59/50/48/544595048.db2.gz KQRBUHOTUXUKKP-UHFFFAOYSA-N 1 2 355.376 1.048 20 5 FDBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000289617548 258833974 /nfs/dbraw/zinc/83/39/74/258833974.db2.gz JSRPBCXQHISBNI-GHMZBOCLSA-N 1 2 355.341 1.808 20 5 FDBDLO CCOC(=O)N1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299548854 259005549 /nfs/dbraw/zinc/00/55/49/259005549.db2.gz KWGGSGAVNQEERE-UHFFFAOYSA-N 1 2 364.402 1.722 20 5 FDBDLO CCOC(=O)N1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299548854 259005550 /nfs/dbraw/zinc/00/55/50/259005550.db2.gz KWGGSGAVNQEERE-UHFFFAOYSA-N 1 2 364.402 1.722 20 5 FDBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000299592371 259009245 /nfs/dbraw/zinc/00/92/45/259009245.db2.gz ZWVGNSLTGHKGRN-NQBHXWOUSA-N 1 2 351.407 1.340 20 5 FDBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000299592371 259009246 /nfs/dbraw/zinc/00/92/46/259009246.db2.gz ZWVGNSLTGHKGRN-NQBHXWOUSA-N 1 2 351.407 1.340 20 5 FDBDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000301799420 259034012 /nfs/dbraw/zinc/03/40/12/259034012.db2.gz RODQYQZLEXMUFO-OAHLLOKOSA-N 1 2 362.430 1.273 20 5 FDBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000330554454 259149794 /nfs/dbraw/zinc/14/97/94/259149794.db2.gz OUUGOIWZTNGTKR-VXGBXAGGSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000330554454 259149795 /nfs/dbraw/zinc/14/97/95/259149795.db2.gz OUUGOIWZTNGTKR-VXGBXAGGSA-N 1 2 357.432 1.707 20 5 FDBDLO Cc1cc(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330799086 259163316 /nfs/dbraw/zinc/16/33/16/259163316.db2.gz HWHPHXKWSURUFP-OKILXGFUSA-N 1 2 371.459 1.681 20 5 FDBDLO Cc1cc(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330799086 259163317 /nfs/dbraw/zinc/16/33/17/259163317.db2.gz HWHPHXKWSURUFP-OKILXGFUSA-N 1 2 371.459 1.681 20 5 FDBDLO CC[NH+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000330864190 259166317 /nfs/dbraw/zinc/16/63/17/259166317.db2.gz WWADARZEDSBPTA-ZIAGYGMSSA-N 1 2 355.460 1.783 20 5 FDBDLO C[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@]1=O ZINC000332067730 259238795 /nfs/dbraw/zinc/23/87/95/259238795.db2.gz SRLYTOJZIAGRTQ-YDGUKXNOSA-N 1 2 353.400 1.346 20 5 FDBDLO C[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@]1=O ZINC000332067730 259238796 /nfs/dbraw/zinc/23/87/96/259238796.db2.gz SRLYTOJZIAGRTQ-YDGUKXNOSA-N 1 2 353.400 1.346 20 5 FDBDLO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1 ZINC000332541336 259275345 /nfs/dbraw/zinc/27/53/45/259275345.db2.gz XDTKVONLCXQPME-CQSZACIVSA-N 1 2 363.414 1.685 20 5 FDBDLO COc1cccc([C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])c2[nH+]ccn2C)c1 ZINC000367563310 260061394 /nfs/dbraw/zinc/06/13/94/260061394.db2.gz LGIOJSUBNUDOAR-AWEZNQCLSA-N 1 2 370.369 1.590 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000368301294 260163905 /nfs/dbraw/zinc/16/39/05/260163905.db2.gz IEANGDHJSRHQMM-HUUCEWRRSA-N 1 2 369.443 1.268 20 5 FDBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000368301294 260163906 /nfs/dbraw/zinc/16/39/06/260163906.db2.gz IEANGDHJSRHQMM-HUUCEWRRSA-N 1 2 369.443 1.268 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368645901 260214478 /nfs/dbraw/zinc/21/44/78/260214478.db2.gz VBMVTAPCEYRAKH-XPKDYRNWSA-N 1 2 363.414 1.920 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368645901 260214479 /nfs/dbraw/zinc/21/44/79/260214479.db2.gz VBMVTAPCEYRAKH-XPKDYRNWSA-N 1 2 363.414 1.920 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000368934772 260262904 /nfs/dbraw/zinc/26/29/04/260262904.db2.gz XLZXZWJZOMHKMK-WBVHZDCISA-N 1 2 369.381 1.832 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)cc1 ZINC000369175504 260307136 /nfs/dbraw/zinc/30/71/36/260307136.db2.gz WKEBYZDJJNJXQM-CQSZACIVSA-N 1 2 366.399 1.452 20 5 FDBDLO COc1cc(OCC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000374344735 261114083 /nfs/dbraw/zinc/11/40/83/261114083.db2.gz HZZILECSKBMGIT-HNNXBMFYSA-N 1 2 372.381 1.550 20 5 FDBDLO COc1ccccc1[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[NH2+]1 ZINC000374366065 261118078 /nfs/dbraw/zinc/11/80/78/261118078.db2.gz QYDQKHNCKXXEPQ-AWEZNQCLSA-N 1 2 359.386 1.281 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000374754720 261188400 /nfs/dbraw/zinc/18/84/00/261188400.db2.gz OTFPQAPHIVMMTB-LLVKDONJSA-N 1 2 352.372 1.852 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000374883949 261217830 /nfs/dbraw/zinc/21/78/30/261217830.db2.gz XWPRUQMPWFTPGB-CQSZACIVSA-N 1 2 363.805 1.926 20 5 FDBDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374913021 261225831 /nfs/dbraw/zinc/22/58/31/261225831.db2.gz NAPUQGMKZXJLJG-INIZCTEOSA-N 1 2 351.378 1.947 20 5 FDBDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374913021 261225832 /nfs/dbraw/zinc/22/58/32/261225832.db2.gz NAPUQGMKZXJLJG-INIZCTEOSA-N 1 2 351.378 1.947 20 5 FDBDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000377823788 261888535 /nfs/dbraw/zinc/88/85/35/261888535.db2.gz MRBHXFVCPHSMOS-HNNXBMFYSA-N 1 2 360.414 1.330 20 5 FDBDLO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000377835214 261892334 /nfs/dbraw/zinc/89/23/34/261892334.db2.gz RVGPDUQUQXPBHU-INIZCTEOSA-N 1 2 374.397 1.759 20 5 FDBDLO COC(=O)C[C@H]1COCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000377835214 261892336 /nfs/dbraw/zinc/89/23/36/261892336.db2.gz RVGPDUQUQXPBHU-INIZCTEOSA-N 1 2 374.397 1.759 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc([N+](=O)[O-])c1F ZINC000378381503 262016621 /nfs/dbraw/zinc/01/66/21/262016621.db2.gz VCQYCYASTPUPJS-LLVKDONJSA-N 1 2 368.390 1.954 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000378641177 262058937 /nfs/dbraw/zinc/05/89/37/262058937.db2.gz KROQIKSQBQPUEG-OAHLLOKOSA-N 1 2 370.365 1.917 20 5 FDBDLO O=C(NCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000014795849 518700506 /nfs/dbraw/zinc/70/05/06/518700506.db2.gz DFEMQXOVZVBKQC-UHFFFAOYSA-N 1 2 362.430 1.647 20 5 FDBDLO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCCn1cc[nH+]c1 ZINC000023238664 518937262 /nfs/dbraw/zinc/93/72/62/518937262.db2.gz LPIJHFSAHSUGDJ-UHFFFAOYSA-N 1 2 373.369 1.686 20 5 FDBDLO Nc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000025290124 519052684 /nfs/dbraw/zinc/05/26/84/519052684.db2.gz WJKNECQPMYTLCE-UHFFFAOYSA-N 1 2 357.370 1.339 20 5 FDBDLO CC(C)C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000026233719 519110284 /nfs/dbraw/zinc/11/02/84/519110284.db2.gz QEEXVOYUBPTIFZ-CQSZACIVSA-N 1 2 371.459 1.620 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000026840924 519140841 /nfs/dbraw/zinc/14/08/41/519140841.db2.gz OCOWFXGMDQXTAT-MELADBBJSA-N 1 2 371.459 1.679 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000026840924 519140851 /nfs/dbraw/zinc/14/08/51/519140851.db2.gz OCOWFXGMDQXTAT-MELADBBJSA-N 1 2 371.459 1.679 20 5 FDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000031941894 519471716 /nfs/dbraw/zinc/47/17/16/519471716.db2.gz SASLVDXQVBSAFQ-INIZCTEOSA-N 1 2 351.428 1.533 20 5 FDBDLO NC(=O)c1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000032163771 519485574 /nfs/dbraw/zinc/48/55/74/519485574.db2.gz HYSMCDFWGCBQIS-UHFFFAOYSA-N 1 2 365.349 1.809 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1OCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000042180337 519685359 /nfs/dbraw/zinc/68/53/59/519685359.db2.gz PQKPHKAVWYZUPQ-UHFFFAOYSA-N 1 2 351.403 1.509 20 5 FDBDLO Nc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000043729744 521887999 /nfs/dbraw/zinc/88/79/99/521887999.db2.gz OAFWHDTZIOAOFL-GOSISDBHSA-N 1 2 370.409 1.980 20 5 FDBDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000045810168 522165784 /nfs/dbraw/zinc/16/57/84/522165784.db2.gz GWKBWXAVYGGQQM-UHFFFAOYSA-N 1 2 353.386 1.594 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000058176439 522217152 /nfs/dbraw/zinc/21/71/52/522217152.db2.gz KQTGAHYTMHXNAO-UHFFFAOYSA-N 1 2 359.367 1.654 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000065733403 522872904 /nfs/dbraw/zinc/87/29/04/522872904.db2.gz RTQWAQCONUUGJD-GFCCVEGCSA-N 1 2 374.401 1.036 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000050991668 522958316 /nfs/dbraw/zinc/95/83/16/522958316.db2.gz YICCDHJWBDQGKC-LLVKDONJSA-N 1 2 364.402 1.531 20 5 FDBDLO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000051181105 522989656 /nfs/dbraw/zinc/98/96/56/522989656.db2.gz GVNRZUSMBUXCHX-CYBMUJFWSA-N 1 2 362.430 1.388 20 5 FDBDLO C[NH+]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000066568664 523112138 /nfs/dbraw/zinc/11/21/38/523112138.db2.gz MBMMJDGPEXXPNP-UHFFFAOYSA-N 1 2 364.221 1.293 20 5 FDBDLO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000066834148 523214740 /nfs/dbraw/zinc/21/47/40/523214740.db2.gz WBQBAPYHYLSVHI-RYUDHWBXSA-N 1 2 365.386 1.815 20 5 FDBDLO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000066834148 523214748 /nfs/dbraw/zinc/21/47/48/523214748.db2.gz 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O=C(NC1CC1)[C@@H]1Cc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000592141727 551948912 /nfs/dbraw/zinc/94/89/12/551948912.db2.gz BKCVRCIXLDEHJI-KRWDZBQOSA-N 1 2 355.398 1.497 20 5 FDBDLO O=C1C[C@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593000025 552052324 /nfs/dbraw/zinc/05/23/24/552052324.db2.gz IUFPFEPHUQOMJQ-WFASDCNBSA-N 1 2 351.309 1.958 20 5 FDBDLO O=C1C[C@H]([N@H+]2CC[C@]3(CC3(F)F)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593000025 552052325 /nfs/dbraw/zinc/05/23/25/552052325.db2.gz IUFPFEPHUQOMJQ-WFASDCNBSA-N 1 2 351.309 1.958 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000593048735 552056271 /nfs/dbraw/zinc/05/62/71/552056271.db2.gz GVECUFRGYGOZMA-UHFFFAOYSA-N 1 2 354.428 1.605 20 5 FDBDLO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000593189207 552071236 /nfs/dbraw/zinc/07/12/36/552071236.db2.gz XMVMDSBZTWWTLQ-UTUOFQBUSA-N 1 2 369.443 1.551 20 5 FDBDLO 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COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000596831490 552715609 /nfs/dbraw/zinc/71/56/09/552715609.db2.gz JGMMTOFOWHXUFJ-CYBMUJFWSA-N 1 2 350.375 1.542 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)CO ZINC000597849042 552840488 /nfs/dbraw/zinc/84/04/88/552840488.db2.gz ZBERPCPDTRKPQR-HNNXBMFYSA-N 1 2 364.377 1.886 20 5 FDBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ncnn21 ZINC000597934184 552847669 /nfs/dbraw/zinc/84/76/69/552847669.db2.gz IEIQDTGGYIBSRU-PWSUYJOCSA-N 1 2 353.342 1.808 20 5 FDBDLO COc1cc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000597992109 552853413 /nfs/dbraw/zinc/85/34/13/552853413.db2.gz AFTLJNFUOOOTHG-RYUDHWBXSA-N 1 2 351.403 1.751 20 5 FDBDLO COc1cc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000597992109 552853414 /nfs/dbraw/zinc/85/34/14/552853414.db2.gz AFTLJNFUOOOTHG-RYUDHWBXSA-N 1 2 351.403 1.751 20 5 FDBDLO 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QJRXSKAUQCYVSJ-ZYHUDNBSSA-N 1 2 357.794 1.462 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000600522735 553280554 /nfs/dbraw/zinc/28/05/54/553280554.db2.gz IOGUHSRVPATWOI-GTNSWQLSSA-N 1 2 360.370 1.701 20 5 FDBDLO COC(=O)[C@@](C)(NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000600522735 553280557 /nfs/dbraw/zinc/28/05/57/553280557.db2.gz IOGUHSRVPATWOI-GTNSWQLSSA-N 1 2 360.370 1.701 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000600684479 553300009 /nfs/dbraw/zinc/30/00/09/553300009.db2.gz UGZHNBCGRSNJJM-INIZCTEOSA-N 1 2 370.409 1.929 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000600684479 553300010 /nfs/dbraw/zinc/30/00/10/553300010.db2.gz UGZHNBCGRSNJJM-INIZCTEOSA-N 1 2 370.409 1.929 20 5 FDBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601314705 553374839 /nfs/dbraw/zinc/37/48/39/553374839.db2.gz OCFWRLDXPAMMIJ-INIZCTEOSA-N 1 2 371.459 1.466 20 5 FDBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601314705 553374841 /nfs/dbraw/zinc/37/48/41/553374841.db2.gz OCFWRLDXPAMMIJ-INIZCTEOSA-N 1 2 371.459 1.466 20 5 FDBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1C ZINC000601418614 553400287 /nfs/dbraw/zinc/40/02/87/553400287.db2.gz XADADLUIECNCMH-UHFFFAOYSA-N 1 2 369.443 1.164 20 5 FDBDLO CN1CCCC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000601968352 553497127 /nfs/dbraw/zinc/49/71/27/553497127.db2.gz DXIODZZQXMHZAB-OAHLLOKOSA-N 1 2 360.414 1.427 20 5 FDBDLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000601968352 553497128 /nfs/dbraw/zinc/49/71/28/553497128.db2.gz DXIODZZQXMHZAB-OAHLLOKOSA-N 1 2 360.414 1.427 20 5 FDBDLO COc1ccccc1C(=O)N1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602761018 553632417 /nfs/dbraw/zinc/63/24/17/553632417.db2.gz TVKDDYACLQZCCB-UHFFFAOYSA-N 1 2 373.413 1.566 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000602793781 553640336 /nfs/dbraw/zinc/64/03/36/553640336.db2.gz LEFXEBRKKLNPOU-HNNXBMFYSA-N 1 2 356.386 1.132 20 5 FDBDLO COC1CC[NH+](Cc2cn(CCOc3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000603199639 553730389 /nfs/dbraw/zinc/73/03/89/553730389.db2.gz DAXILXBANPHMMP-UHFFFAOYSA-N 1 2 361.402 1.876 20 5 FDBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccncc3[N+](=O)[O-])CC2)C1 ZINC000608972034 554331048 /nfs/dbraw/zinc/33/10/48/554331048.db2.gz ZCXRTURHAPIFSZ-HUUCEWRRSA-N 1 2 361.446 1.616 20 5 FDBDLO CNS(=O)(=O)c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609132724 554340737 /nfs/dbraw/zinc/34/07/37/554340737.db2.gz GKYOIVPWVPASPA-LBPRGKRZSA-N 1 2 365.415 1.541 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131747 554340817 /nfs/dbraw/zinc/34/08/17/554340817.db2.gz WUWAAVHACCLEPV-CZUORRHYSA-N 1 2 371.397 1.773 20 5 FDBDLO COc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000609134776 554341279 /nfs/dbraw/zinc/34/12/79/554341279.db2.gz UFHPSEXKYKYKPB-LBPRGKRZSA-N 1 2 366.399 1.826 20 5 FDBDLO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000609391358 554374174 /nfs/dbraw/zinc/37/41/74/554374174.db2.gz AKKXGODBQCCTRB-UHFFFAOYSA-N 1 2 365.777 1.381 20 5 FDBDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000610533912 554524330 /nfs/dbraw/zinc/52/43/30/554524330.db2.gz YASUDKRFTBZBKC-AWEZNQCLSA-N 1 2 357.370 1.902 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCCCO)CC1 ZINC000610682892 554549276 /nfs/dbraw/zinc/54/92/76/554549276.db2.gz FKBRMTYIISHBGN-UHFFFAOYSA-N 1 2 367.402 1.405 20 5 FDBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891350 554576533 /nfs/dbraw/zinc/57/65/33/554576533.db2.gz FWPDMLSQOHBRHH-INIZCTEOSA-N 1 2 367.427 1.238 20 5 FDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611083635 554603294 /nfs/dbraw/zinc/60/32/94/554603294.db2.gz QCZDMVFHWLFPJX-NSHDSACASA-N 1 2 371.415 1.081 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611083635 554603295 /nfs/dbraw/zinc/60/32/95/554603295.db2.gz QCZDMVFHWLFPJX-NSHDSACASA-N 1 2 371.415 1.081 20 5 FDBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000611894900 554698341 /nfs/dbraw/zinc/69/83/41/554698341.db2.gz VWAJUGCVPXSPQY-GFCCVEGCSA-N 1 2 361.406 1.375 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000612030446 554722182 /nfs/dbraw/zinc/72/21/82/554722182.db2.gz IMGTVSUWUQCEKL-OAHLLOKOSA-N 1 2 364.427 1.902 20 5 FDBDLO C[N@@H+](Cc1nnc2ccccn21)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086943 554731811 /nfs/dbraw/zinc/73/18/11/554731811.db2.gz FDGSTCILIYUBNM-ZDUSSCGKSA-N 1 2 357.370 1.509 20 5 FDBDLO C[N@H+](Cc1nnc2ccccn21)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612086943 554731812 /nfs/dbraw/zinc/73/18/12/554731812.db2.gz FDGSTCILIYUBNM-ZDUSSCGKSA-N 1 2 357.370 1.509 20 5 FDBDLO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000612525872 554799855 /nfs/dbraw/zinc/79/98/55/554799855.db2.gz OAABJLZGNGZDSN-UHFFFAOYSA-N 1 2 372.381 1.844 20 5 FDBDLO COC(=O)C(C)(C)[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000614523568 555069001 /nfs/dbraw/zinc/06/90/01/555069001.db2.gz OXQFNLRSCZXXQX-UHFFFAOYSA-N 1 2 359.386 1.612 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000617243818 555406764 /nfs/dbraw/zinc/40/67/64/555406764.db2.gz XIGMJQVONJOKPX-JSGCOSHPSA-N 1 2 357.432 1.209 20 5 FDBDLO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000617243818 555406767 /nfs/dbraw/zinc/40/67/67/555406767.db2.gz XIGMJQVONJOKPX-JSGCOSHPSA-N 1 2 357.432 1.209 20 5 FDBDLO C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@@](=O)C1 ZINC000617895785 555537511 /nfs/dbraw/zinc/53/75/11/555537511.db2.gz OCVMPKDMLGANKN-UOXLDJKESA-N 1 2 367.427 1.593 20 5 FDBDLO C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[S@@](=O)C1 ZINC000617895785 555537514 /nfs/dbraw/zinc/53/75/14/555537514.db2.gz OCVMPKDMLGANKN-UOXLDJKESA-N 1 2 367.427 1.593 20 5 FDBDLO Nc1c(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)cccc1[N+](=O)[O-] ZINC000619872631 555847300 /nfs/dbraw/zinc/84/73/00/555847300.db2.gz CXTPOBDLCUGELB-UHFFFAOYSA-N 1 2 360.374 1.476 20 5 FDBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000738357919 598676147 /nfs/dbraw/zinc/67/61/47/598676147.db2.gz IVMXSKKDDCMERB-CQSZACIVSA-N 1 2 373.417 1.466 20 5 FDBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)c1 ZINC000738367290 599420555 /nfs/dbraw/zinc/42/05/55/599420555.db2.gz POVNGIAJSLPGPY-UHFFFAOYSA-N 1 2 366.385 1.492 20 5 FDBDLO CCc1[nH+]ccn1[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821517764 606708261 /nfs/dbraw/zinc/70/82/61/606708261.db2.gz OEWAQCPKDHGXGH-LLVKDONJSA-N 1 2 369.389 1.770 20 5 FDBDLO Cc1cc[nH+]c(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)c1 ZINC000822374318 607039049 /nfs/dbraw/zinc/03/90/49/607039049.db2.gz QTIMFTIPQGWRQT-UHFFFAOYSA-N 1 2 367.373 1.200 20 5 FDBDLO COc1ccc(OCC[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000277803643 675044456 /nfs/dbraw/zinc/04/44/56/675044456.db2.gz PMTSJTIDBCHIHC-CQSZACIVSA-N 1 2 372.443 1.881 20 5 FDBDLO COc1ccc(OCC[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000277803643 675044458 /nfs/dbraw/zinc/04/44/58/675044458.db2.gz PMTSJTIDBCHIHC-CQSZACIVSA-N 1 2 372.443 1.881 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261730755 672660221 /nfs/dbraw/zinc/66/02/21/672660221.db2.gz OIPPMLNWSKAGPE-OAHLLOKOSA-N 1 2 362.411 1.633 20 5 FDBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261751215 672664994 /nfs/dbraw/zinc/66/49/94/672664994.db2.gz QEBQLFYEPQRNSZ-MRXNPFEDSA-N 1 2 362.411 1.466 20 5 FDBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261913035 672692762 /nfs/dbraw/zinc/69/27/62/672692762.db2.gz YKMYJVGRKZLJKB-ZDUSSCGKSA-N 1 2 366.374 1.464 20 5 FDBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266523896 673139251 /nfs/dbraw/zinc/13/92/51/673139251.db2.gz JMVSRAGZWZSEAE-LBPRGKRZSA-N 1 2 360.432 1.737 20 5 FDBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266523896 673139255 /nfs/dbraw/zinc/13/92/55/673139255.db2.gz JMVSRAGZWZSEAE-LBPRGKRZSA-N 1 2 360.432 1.737 20 5 FDBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289640662 676162123 /nfs/dbraw/zinc/16/21/23/676162123.db2.gz ZKALQJKGZIDQBI-MRVPVSSYSA-N 1 2 362.770 1.951 20 5 FDBDLO NC(=O)NC(=O)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284333548 675693465 /nfs/dbraw/zinc/69/34/65/675693465.db2.gz BSNTVDSFLHBVSQ-UHFFFAOYSA-N 1 2 371.191 1.300 20 5 FDBDLO NC(=O)NC(=O)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284333548 675693467 /nfs/dbraw/zinc/69/34/67/675693467.db2.gz BSNTVDSFLHBVSQ-UHFFFAOYSA-N 1 2 371.191 1.300 20 5 FDBDLO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000285279036 675815262 /nfs/dbraw/zinc/81/52/62/675815262.db2.gz RDSOFKIOGHXJQG-NSHDSACASA-N 1 2 354.388 1.520 20 5 FDBDLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000293312539 676344657 /nfs/dbraw/zinc/34/46/57/676344657.db2.gz LMYVWYVVNHGVDJ-UHFFFAOYSA-N 1 2 371.440 1.815 20 5 FDBDLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000293312539 676344658 /nfs/dbraw/zinc/34/46/58/676344658.db2.gz LMYVWYVVNHGVDJ-UHFFFAOYSA-N 1 2 371.440 1.815 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000361787666 676901697 /nfs/dbraw/zinc/90/16/97/676901697.db2.gz JPBVUJCSMHNBAS-JTQLQIEISA-N 1 2 354.363 1.646 20 5 FDBDLO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371105358 677647266 /nfs/dbraw/zinc/64/72/66/677647266.db2.gz CAMJSPWLYONTRA-NSHDSACASA-N 1 2 357.208 1.663 20 5 FDBDLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000412065056 679149479 /nfs/dbraw/zinc/14/94/79/679149479.db2.gz DMKRALCCVYGPOC-LBPRGKRZSA-N 1 2 367.427 1.680 20 5 FDBDLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000412065056 679149481 /nfs/dbraw/zinc/14/94/81/679149481.db2.gz DMKRALCCVYGPOC-LBPRGKRZSA-N 1 2 367.427 1.680 20 5 FDBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000412370810 679176440 /nfs/dbraw/zinc/17/64/40/679176440.db2.gz PMMMVASIFONBEU-LLVKDONJSA-N 1 2 353.350 1.349 20 5 FDBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000412370810 679176443 /nfs/dbraw/zinc/17/64/43/679176443.db2.gz PMMMVASIFONBEU-LLVKDONJSA-N 1 2 353.350 1.349 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413177317 679243532 /nfs/dbraw/zinc/24/35/32/679243532.db2.gz LRGODMVEUOBRBT-LLVKDONJSA-N 1 2 364.324 1.138 20 5 FDBDLO CNS(=O)(=O)c1ccc(NC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000413542131 679278523 /nfs/dbraw/zinc/27/85/23/679278523.db2.gz LLELWVADRNPTLP-UHFFFAOYSA-N 1 2 372.447 1.026 20 5 FDBDLO COc1cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000415989182 679540388 /nfs/dbraw/zinc/54/03/88/679540388.db2.gz KUMOJJYZNWDHLS-UHFFFAOYSA-N 1 2 355.366 1.583 20 5 FDBDLO COc1ccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000416985722 679738890 /nfs/dbraw/zinc/73/88/90/679738890.db2.gz DGTXSXRRYNOJNT-UHFFFAOYSA-N 1 2 352.391 1.836 20 5 FDBDLO C[C@@](O)(CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000436402813 681690236 /nfs/dbraw/zinc/69/02/36/681690236.db2.gz BHQCFWPFUFHWKW-CYBMUJFWSA-N 1 2 364.324 1.504 20 5 FDBDLO Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000470863792 685084937 /nfs/dbraw/zinc/08/49/37/685084937.db2.gz JLHASEWLFSSIBZ-QWRGUYRKSA-N 1 2 353.358 1.069 20 5 FDBDLO Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000470863792 685084947 /nfs/dbraw/zinc/08/49/47/685084947.db2.gz JLHASEWLFSSIBZ-QWRGUYRKSA-N 1 2 353.358 1.069 20 5 FDBDLO COCCCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492053807 687157241 /nfs/dbraw/zinc/15/72/41/687157241.db2.gz FLOOXTFESNYEKQ-UHFFFAOYSA-N 1 2 371.459 1.718 20 5 FDBDLO CC[N@@H+]1CCO[C@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000498152976 687754434 /nfs/dbraw/zinc/75/44/34/687754434.db2.gz LXPHEKSDSQVHQG-HOCLYGCPSA-N 1 2 351.428 1.890 20 5 FDBDLO CC[N@H+]1CCO[C@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000498152976 687754441 /nfs/dbraw/zinc/75/44/41/687754441.db2.gz LXPHEKSDSQVHQG-HOCLYGCPSA-N 1 2 351.428 1.890 20 5 FDBDLO NS(=O)(=O)c1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000498647695 687829771 /nfs/dbraw/zinc/82/97/71/687829771.db2.gz VUBORKNMZMZJNX-LBPRGKRZSA-N 1 2 364.383 1.295 20 5 FDBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513991061 689713966 /nfs/dbraw/zinc/71/39/66/689713966.db2.gz BWAMHCCTYIPJOI-LBPRGKRZSA-N 1 2 350.766 1.013 20 5 FDBDLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 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AWLRAJIQIAFZHB-UHFFFAOYSA-N 1 2 367.381 1.328 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)CC2 ZINC000374680969 261173642 /nfs/dbraw/zinc/17/36/42/261173642.db2.gz SMUBARHBGLITDX-UHFFFAOYSA-N 1 2 352.354 1.941 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCn2cc(C)[nH+]c2C1 ZINC000374715666 261180327 /nfs/dbraw/zinc/18/03/27/261180327.db2.gz ZZFRINWKOLOWIO-LBPRGKRZSA-N 1 2 359.386 1.951 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000374800302 261198223 /nfs/dbraw/zinc/19/82/23/261198223.db2.gz OTUOJBGEQWYEHL-CABCVRRESA-N 1 2 369.443 1.123 20 5 FDBDLO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374913023 261225796 /nfs/dbraw/zinc/22/57/96/261225796.db2.gz NAPUQGMKZXJLJG-MRXNPFEDSA-N 1 2 351.378 1.947 20 5 FDBDLO O=C([C@H]1CCCO1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374913023 261225797 /nfs/dbraw/zinc/22/57/97/261225797.db2.gz NAPUQGMKZXJLJG-MRXNPFEDSA-N 1 2 351.378 1.947 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375591074 261378335 /nfs/dbraw/zinc/37/83/35/261378335.db2.gz LEHRXTIGRMYASU-RISCZKNCSA-N 1 2 351.359 1.186 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375591074 261378336 /nfs/dbraw/zinc/37/83/36/261378336.db2.gz LEHRXTIGRMYASU-RISCZKNCSA-N 1 2 351.359 1.186 20 5 FDBDLO COc1cc(C[N@@H+]2CCNC(=O)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000378601019 262051576 /nfs/dbraw/zinc/05/15/76/262051576.db2.gz ZGIYSYLSEBYCMW-SNVBAGLBSA-N 1 2 373.356 1.958 20 5 FDBDLO COc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000378601019 262051577 /nfs/dbraw/zinc/05/15/77/262051577.db2.gz ZGIYSYLSEBYCMW-SNVBAGLBSA-N 1 2 373.356 1.958 20 5 FDBDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc([N+](=O)[O-])s1 ZINC000520196941 490114919 /nfs/dbraw/zinc/11/49/19/490114919.db2.gz KVDHARDNYGNWLE-UHFFFAOYSA-N 1 2 351.388 1.437 20 5 FDBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c2nonc21 ZINC000011380990 518557876 /nfs/dbraw/zinc/55/78/76/518557876.db2.gz SRFYUNFDXCFELO-UHFFFAOYSA-N 1 2 356.342 1.975 20 5 FDBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000015142253 518710599 /nfs/dbraw/zinc/71/05/99/518710599.db2.gz OLRLMGFRJYVCEA-GJZGRUSLSA-N 1 2 361.446 1.616 20 5 FDBDLO COC(=O)c1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000015655831 518729816 /nfs/dbraw/zinc/72/98/16/518729816.db2.gz ZWRYLKNYWZAIAR-UHFFFAOYSA-N 1 2 370.365 1.739 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000025757500 519079546 /nfs/dbraw/zinc/07/95/46/519079546.db2.gz OOENMYRZLUSUDW-UHFFFAOYSA-N 1 2 356.382 1.685 20 5 FDBDLO CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026164129 519103918 /nfs/dbraw/zinc/10/39/18/519103918.db2.gz CLGYUCFYVVMQLO-UHFFFAOYSA-N 1 2 350.375 1.698 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000028514803 519242027 /nfs/dbraw/zinc/24/20/27/519242027.db2.gz QCGJYICKVUAAQW-OAHLLOKOSA-N 1 2 358.333 1.570 20 5 FDBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000029805092 519323151 /nfs/dbraw/zinc/32/31/51/519323151.db2.gz UDYDLIJNKGDPKB-UHFFFAOYSA-N 1 2 354.370 1.395 20 5 FDBDLO C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000032059218 519477916 /nfs/dbraw/zinc/47/79/16/519477916.db2.gz ROOACDDSTFUZSX-OAHLLOKOSA-N 1 2 364.383 1.088 20 5 FDBDLO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000032758120 519534929 /nfs/dbraw/zinc/53/49/29/519534929.db2.gz FKSSIGJBSOJTGR-CQSZACIVSA-N 1 2 353.375 1.109 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000032768714 519537057 /nfs/dbraw/zinc/53/70/57/519537057.db2.gz QEGUMGYXVNNTLK-WMZOPIPTSA-N 1 2 365.430 1.131 20 5 FDBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000033044445 519566038 /nfs/dbraw/zinc/56/60/38/519566038.db2.gz JGQRUXJBTCIBOR-UHFFFAOYSA-N 1 2 363.337 1.982 20 5 FDBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccccc1F ZINC000043269704 521842393 /nfs/dbraw/zinc/84/23/93/521842393.db2.gz VHYCUXNJJFSDCB-OAHLLOKOSA-N 1 2 358.333 1.570 20 5 FDBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000072584137 522329525 /nfs/dbraw/zinc/32/95/25/522329525.db2.gz SLMAQBWWBYDILX-CYBMUJFWSA-N 1 2 355.398 1.972 20 5 FDBDLO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000047161942 522461670 /nfs/dbraw/zinc/46/16/70/522461670.db2.gz IKMXLAFGRCYHDY-NSHDSACASA-N 1 2 353.375 1.063 20 5 FDBDLO CS(=O)(=O)c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000047699708 522590719 /nfs/dbraw/zinc/59/07/19/522590719.db2.gz FNEXYTILDGGSAP-ZDUSSCGKSA-N 1 2 369.443 1.157 20 5 FDBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074763908 522830851 /nfs/dbraw/zinc/83/08/51/522830851.db2.gz RTVFNKAEALDOEV-MRXNPFEDSA-N 1 2 362.430 1.644 20 5 FDBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000065781182 522888188 /nfs/dbraw/zinc/88/81/88/522888188.db2.gz VRNSDDHIVJDMFJ-UHFFFAOYSA-N 1 2 358.402 1.883 20 5 FDBDLO NC(=O)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000077168380 523254069 /nfs/dbraw/zinc/25/40/69/523254069.db2.gz ZSKBZLROBUQUFW-UHFFFAOYSA-N 1 2 354.794 1.774 20 5 FDBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067164728 523345936 /nfs/dbraw/zinc/34/59/36/523345936.db2.gz OFDAFEAGGILDKU-ZDUSSCGKSA-N 1 2 359.386 1.231 20 5 FDBDLO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000053944362 523539927 /nfs/dbraw/zinc/53/99/27/523539927.db2.gz OLCJMZIWUWMNDL-ZDUSSCGKSA-N 1 2 364.358 1.201 20 5 FDBDLO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)no1 ZINC000053944362 523539937 /nfs/dbraw/zinc/53/99/37/523539937.db2.gz OLCJMZIWUWMNDL-ZDUSSCGKSA-N 1 2 364.358 1.201 20 5 FDBDLO Cc1cnc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000078627481 523626009 /nfs/dbraw/zinc/62/60/09/523626009.db2.gz FMRPWMBDPUEVKX-UHFFFAOYSA-N 1 2 361.446 1.823 20 5 FDBDLO COc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000054723600 523686092 /nfs/dbraw/zinc/68/60/92/523686092.db2.gz NUPHSDLGFOFIAT-UHFFFAOYSA-N 1 2 356.382 1.956 20 5 FDBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000080237949 523855818 /nfs/dbraw/zinc/85/58/18/523855818.db2.gz GHRQRULCCYORBI-UHFFFAOYSA-N 1 2 355.354 1.277 20 5 FDBDLO Cc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+]2CCOCC2)cc1 ZINC000055809125 523862117 /nfs/dbraw/zinc/86/21/17/523862117.db2.gz GFCDWXGMHIOJCF-MRXNPFEDSA-N 1 2 373.413 1.289 20 5 FDBDLO COCCCC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000172173999 524145112 /nfs/dbraw/zinc/14/51/12/524145112.db2.gz SPDYDXBDBNDSJV-UHFFFAOYSA-N 1 2 371.459 1.547 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139016054 524271702 /nfs/dbraw/zinc/27/17/02/524271702.db2.gz PUOILUJDYKAZTE-OLZOCXBDSA-N 1 2 361.402 1.411 20 5 FDBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139016054 524271708 /nfs/dbraw/zinc/27/17/08/524271708.db2.gz PUOILUJDYKAZTE-OLZOCXBDSA-N 1 2 361.402 1.411 20 5 FDBDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000139428042 524286194 /nfs/dbraw/zinc/28/61/94/524286194.db2.gz KNAGJBRPQGVQBH-RMKNXTFCSA-N 1 2 374.441 1.667 20 5 FDBDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000139428042 524286198 /nfs/dbraw/zinc/28/61/98/524286198.db2.gz KNAGJBRPQGVQBH-RMKNXTFCSA-N 1 2 374.441 1.667 20 5 FDBDLO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H](C)[NH+]1CCOCC1 ZINC000111611216 524309781 /nfs/dbraw/zinc/30/97/81/524309781.db2.gz HIYXOCHOUZCQPH-RYUDHWBXSA-N 1 2 374.397 1.275 20 5 FDBDLO CC(C)(CNC(=O)COc1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000144859755 524392682 /nfs/dbraw/zinc/39/26/82/524392682.db2.gz AOJKITJMAHRKEL-UHFFFAOYSA-N 1 2 371.821 1.854 20 5 FDBDLO CCOCCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000158287719 524439858 /nfs/dbraw/zinc/43/98/58/524439858.db2.gz IGUHHBNOQJHWPX-UHFFFAOYSA-N 1 2 357.432 1.328 20 5 FDBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000151138676 524527847 /nfs/dbraw/zinc/52/78/47/524527847.db2.gz HWQFYVXPQSYBIF-INIZCTEOSA-N 1 2 363.395 1.973 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090109076 524582686 /nfs/dbraw/zinc/58/26/86/524582686.db2.gz GEHHYVJMRIBVSA-INIZCTEOSA-N 1 2 372.425 1.786 20 5 FDBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090109078 524583545 /nfs/dbraw/zinc/58/35/45/524583545.db2.gz GEHHYVJMRIBVSA-MRXNPFEDSA-N 1 2 372.425 1.786 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000122748287 524609744 /nfs/dbraw/zinc/60/97/44/524609744.db2.gz KLJOQEKTDNSBJI-KGLIPLIRSA-N 1 2 371.459 1.369 20 5 FDBDLO CC[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000122748287 524609754 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369.381 1.632 20 5 FDBDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000153069449 525098622 /nfs/dbraw/zinc/09/86/22/525098622.db2.gz URHMJVPLCLSTJA-OAHLLOKOSA-N 1 2 360.414 1.080 20 5 FDBDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000153069449 525098628 /nfs/dbraw/zinc/09/86/28/525098628.db2.gz URHMJVPLCLSTJA-OAHLLOKOSA-N 1 2 360.414 1.080 20 5 FDBDLO O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000116270839 525122929 /nfs/dbraw/zinc/12/29/29/525122929.db2.gz QFJMUQAYESPDCK-UHFFFAOYSA-N 1 2 352.822 1.644 20 5 FDBDLO Cc1n[nH]c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116447644 525154328 /nfs/dbraw/zinc/15/43/28/525154328.db2.gz RYCNZXBKMRCTSB-UHFFFAOYSA-N 1 2 359.386 1.463 20 5 FDBDLO Cc1[nH]nc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116447644 525154340 /nfs/dbraw/zinc/15/43/40/525154340.db2.gz RYCNZXBKMRCTSB-UHFFFAOYSA-N 1 2 359.386 1.463 20 5 FDBDLO 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ZINC000583248947 551324763 /nfs/dbraw/zinc/32/47/63/551324763.db2.gz NOXRKEOKTWDEIL-UHFFFAOYSA-N 1 2 356.386 1.685 20 5 FDBDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000583956585 551426586 /nfs/dbraw/zinc/42/65/86/551426586.db2.gz NOBWQNLEJGHJFR-OAHLLOKOSA-N 1 2 374.445 1.164 20 5 FDBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000583956585 551426587 /nfs/dbraw/zinc/42/65/87/551426587.db2.gz NOBWQNLEJGHJFR-OAHLLOKOSA-N 1 2 374.445 1.164 20 5 FDBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000585749581 551592898 /nfs/dbraw/zinc/59/28/98/551592898.db2.gz GAGOGZVOQLHUAE-IRXDYDNUSA-N 1 2 371.397 1.326 20 5 FDBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000585749581 551592901 /nfs/dbraw/zinc/59/29/01/551592901.db2.gz GAGOGZVOQLHUAE-IRXDYDNUSA-N 1 2 371.397 1.326 20 5 FDBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587036113 551629852 /nfs/dbraw/zinc/62/98/52/551629852.db2.gz HZSHCCJZNMNLMI-ZDUSSCGKSA-N 1 2 357.370 1.042 20 5 FDBDLO C[C@H]([C@H](C)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[NH+]1CCOCC1 ZINC000587882100 551635974 /nfs/dbraw/zinc/63/59/74/551635974.db2.gz VPBPCZPJPPRWKD-NWDGAFQWSA-N 1 2 363.418 1.306 20 5 FDBDLO Nc1ccc(NC[C@H](c2ccc(F)cc2)[NH+]2CCOCC2)nc1[N+](=O)[O-] ZINC000590568793 551793523 /nfs/dbraw/zinc/79/35/23/551793523.db2.gz LMGKEBMQEGJWHE-OAHLLOKOSA-N 1 2 361.377 2.197 20 5 FDBDLO COC(=O)c1ccnc(N2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000590571729 551793828 /nfs/dbraw/zinc/79/38/28/551793828.db2.gz GSNIEISTWMHPSM-UHFFFAOYSA-N 1 2 357.370 1.494 20 5 FDBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591149656 551847461 /nfs/dbraw/zinc/84/74/61/551847461.db2.gz RKJQSFMIAZLCTI-LBPRGKRZSA-N 1 2 351.382 1.262 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000592528707 552005287 /nfs/dbraw/zinc/00/52/87/552005287.db2.gz AWQGFMQMQFDBGY-ZYHUDNBSSA-N 1 2 360.313 1.552 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000592528707 552005289 /nfs/dbraw/zinc/00/52/89/552005289.db2.gz AWQGFMQMQFDBGY-ZYHUDNBSSA-N 1 2 360.313 1.552 20 5 FDBDLO COCCN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101238 552062528 /nfs/dbraw/zinc/06/25/28/552062528.db2.gz NZRVSZQBFLETBL-HNNXBMFYSA-N 1 2 367.446 1.377 20 5 FDBDLO COCCN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101238 552062530 /nfs/dbraw/zinc/06/25/30/552062530.db2.gz NZRVSZQBFLETBL-HNNXBMFYSA-N 1 2 367.446 1.377 20 5 FDBDLO CC(C)(NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000593736706 552187166 /nfs/dbraw/zinc/18/71/66/552187166.db2.gz VGOUYYBWHFNXOH-UHFFFAOYSA-N 1 2 360.374 1.169 20 5 FDBDLO COCCOCC[NH+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000593886240 552217565 /nfs/dbraw/zinc/21/75/65/552217565.db2.gz GOGARESVGDNHKY-UHFFFAOYSA-N 1 2 367.402 1.024 20 5 FDBDLO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594405198 552304524 /nfs/dbraw/zinc/30/45/24/552304524.db2.gz UWFYTEBXSXOOMO-MXWKQRLJSA-N 1 2 354.382 1.544 20 5 FDBDLO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594405198 552304527 /nfs/dbraw/zinc/30/45/27/552304527.db2.gz UWFYTEBXSXOOMO-MXWKQRLJSA-N 1 2 354.382 1.544 20 5 FDBDLO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000594965345 552427865 /nfs/dbraw/zinc/42/78/65/552427865.db2.gz FIADUEGTTUFKPG-GDBMZVCRSA-N 1 2 366.395 1.756 20 5 FDBDLO Cc1c(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595126740 552459590 /nfs/dbraw/zinc/45/95/90/552459590.db2.gz UCKUJUQXVFHEPV-NWDGAFQWSA-N 1 2 364.402 1.067 20 5 FDBDLO Cc1c(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000595126740 552459591 /nfs/dbraw/zinc/45/95/91/552459591.db2.gz UCKUJUQXVFHEPV-NWDGAFQWSA-N 1 2 364.402 1.067 20 5 FDBDLO O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000595303828 552517561 /nfs/dbraw/zinc/51/75/61/552517561.db2.gz BUGOECZSBPFHLE-OAHLLOKOSA-N 1 2 351.378 1.947 20 5 FDBDLO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000595303828 552517564 /nfs/dbraw/zinc/51/75/64/552517564.db2.gz BUGOECZSBPFHLE-OAHLLOKOSA-N 1 2 351.378 1.947 20 5 FDBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000595414666 552555243 /nfs/dbraw/zinc/55/52/43/552555243.db2.gz JCQFHOZSFQNUHT-LBPRGKRZSA-N 1 2 354.388 1.780 20 5 FDBDLO COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595683385 552602647 /nfs/dbraw/zinc/60/26/47/552602647.db2.gz OVWRCIQDQLGSOZ-UHFFFAOYSA-N 1 2 363.370 1.569 20 5 FDBDLO COC(=O)C12CC(C1)C[N@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595683385 552602648 /nfs/dbraw/zinc/60/26/48/552602648.db2.gz OVWRCIQDQLGSOZ-UHFFFAOYSA-N 1 2 363.370 1.569 20 5 FDBDLO COc1cc(C[NH+]2CCC(O)(CO)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595735183 552608328 /nfs/dbraw/zinc/60/83/28/552608328.db2.gz DLWGSGWBHNQXPH-UHFFFAOYSA-N 1 2 362.329 1.524 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CC(F)(F)F)O1 ZINC000595890554 552629161 /nfs/dbraw/zinc/62/91/61/552629161.db2.gz MUYDILFEKHEUQI-JLLWLGSASA-N 1 2 352.313 1.194 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CC(F)(F)F)O1 ZINC000595890554 552629162 /nfs/dbraw/zinc/62/91/62/552629162.db2.gz MUYDILFEKHEUQI-JLLWLGSASA-N 1 2 352.313 1.194 20 5 FDBDLO Cc1cnc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596516531 552685507 /nfs/dbraw/zinc/68/55/07/552685507.db2.gz UBVBNNQFVMZCPQ-IBGZPJMESA-N 1 2 372.425 1.974 20 5 FDBDLO Cc1cnc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596516531 552685509 /nfs/dbraw/zinc/68/55/09/552685509.db2.gz UBVBNNQFVMZCPQ-IBGZPJMESA-N 1 2 372.425 1.974 20 5 FDBDLO Cc1nc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596517051 552685614 /nfs/dbraw/zinc/68/56/14/552685614.db2.gz YOEAHZITUOCGML-LJQANCHMSA-N 1 2 372.425 1.974 20 5 FDBDLO Cc1nc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596517051 552685616 /nfs/dbraw/zinc/68/56/16/552685616.db2.gz YOEAHZITUOCGML-LJQANCHMSA-N 1 2 372.425 1.974 20 5 FDBDLO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596588350 552691976 /nfs/dbraw/zinc/69/19/76/552691976.db2.gz POOXGWZSMNCQPS-ZDUSSCGKSA-N 1 2 374.401 1.087 20 5 FDBDLO CNc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000597848507 552840313 /nfs/dbraw/zinc/84/03/13/552840313.db2.gz VZDIPCRVNSXIQU-AWEZNQCLSA-N 1 2 361.402 1.860 20 5 FDBDLO CC(C)(C(=O)NCc1ccc[nH+]c1N1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000597940941 552848485 /nfs/dbraw/zinc/84/84/85/552848485.db2.gz MZVZJYRBJPQTJH-UHFFFAOYSA-N 1 2 358.402 1.838 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)CO1 ZINC000597995610 552854673 /nfs/dbraw/zinc/85/46/73/552854673.db2.gz MGOMDWXGYZRGDM-QWRGUYRKSA-N 1 2 351.359 1.163 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](C)CO1 ZINC000597995610 552854675 /nfs/dbraw/zinc/85/46/75/552854675.db2.gz MGOMDWXGYZRGDM-QWRGUYRKSA-N 1 2 351.359 1.163 20 5 FDBDLO COC(=O)C12CC(C1)CN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598056777 552861689 /nfs/dbraw/zinc/86/16/89/552861689.db2.gz YEYQRTPEKNBSAA-UHFFFAOYSA-N 1 2 356.338 1.558 20 5 FDBDLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000598945680 552950162 /nfs/dbraw/zinc/95/01/62/552950162.db2.gz AUUBZHYJYLJKMJ-LBPRGKRZSA-N 1 2 367.369 1.425 20 5 FDBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599129954 552971458 /nfs/dbraw/zinc/97/14/58/552971458.db2.gz GFYYBHAQUSJOSK-HNNXBMFYSA-N 1 2 356.810 1.671 20 5 FDBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000599129954 552971460 /nfs/dbraw/zinc/97/14/60/552971460.db2.gz GFYYBHAQUSJOSK-HNNXBMFYSA-N 1 2 356.810 1.671 20 5 FDBDLO CCc1cc(NC[C@@H](O)CC(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599162293 552976756 /nfs/dbraw/zinc/97/67/56/552976756.db2.gz IQBYJGPLBOQQMO-AWEZNQCLSA-N 1 2 360.370 1.372 20 5 FDBDLO CN(C)S(=O)(=O)N1CC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599185803 552980433 /nfs/dbraw/zinc/98/04/33/552980433.db2.gz UEAPGWBBJHPFKS-UHFFFAOYSA-N 1 2 351.388 1.046 20 5 FDBDLO COC(=O)CCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000599262472 553007490 /nfs/dbraw/zinc/00/74/90/553007490.db2.gz GALSMYWCDXOAGV-UHFFFAOYSA-N 1 2 355.416 1.757 20 5 FDBDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599579416 553093903 /nfs/dbraw/zinc/09/39/03/553093903.db2.gz LBOCGEGWQNTXLO-WFASDCNBSA-N 1 2 366.370 1.400 20 5 FDBDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599579416 553093905 /nfs/dbraw/zinc/09/39/05/553093905.db2.gz LBOCGEGWQNTXLO-WFASDCNBSA-N 1 2 366.370 1.400 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631792 553107665 /nfs/dbraw/zinc/10/76/65/553107665.db2.gz CEAYBVPIVGDDMI-RSPPDBIESA-N 1 2 351.428 1.827 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599631792 553107668 /nfs/dbraw/zinc/10/76/68/553107668.db2.gz CEAYBVPIVGDDMI-RSPPDBIESA-N 1 2 351.428 1.827 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c([N+](=O)[O-])c1 ZINC000599703330 553125936 /nfs/dbraw/zinc/12/59/36/553125936.db2.gz PHFSHAHSRPGWRC-CYBMUJFWSA-N 1 2 364.402 1.533 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(C)=O)c([N+](=O)[O-])c1 ZINC000599703330 553125937 /nfs/dbraw/zinc/12/59/37/553125937.db2.gz PHFSHAHSRPGWRC-CYBMUJFWSA-N 1 2 364.402 1.533 20 5 FDBDLO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000599782559 553145993 /nfs/dbraw/zinc/14/59/93/553145993.db2.gz DGOOUEOXWLTYHF-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000599782559 553145994 /nfs/dbraw/zinc/14/59/94/553145994.db2.gz DGOOUEOXWLTYHF-SNVBAGLBSA-N 1 2 372.219 1.496 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599830187 553157368 /nfs/dbraw/zinc/15/73/68/553157368.db2.gz FNVKXSUKXAQWFT-GFCCVEGCSA-N 1 2 359.386 1.985 20 5 FDBDLO CCn1nnc(C)c1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600055386 553209301 /nfs/dbraw/zinc/20/93/01/553209301.db2.gz XJFWITBVEJRUNZ-UHFFFAOYSA-N 1 2 355.358 1.630 20 5 FDBDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600194107 553229427 /nfs/dbraw/zinc/22/94/27/553229427.db2.gz TUIXMHZOMALYTA-CQSZACIVSA-N 1 2 374.397 1.985 20 5 FDBDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000600194107 553229428 /nfs/dbraw/zinc/22/94/28/553229428.db2.gz TUIXMHZOMALYTA-CQSZACIVSA-N 1 2 374.397 1.985 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164415 553354909 /nfs/dbraw/zinc/35/49/09/553354909.db2.gz COTBLGXFJZIHKJ-VHSXEESVSA-N 1 2 363.340 1.647 20 5 FDBDLO CN1CCCC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000601968351 553497135 /nfs/dbraw/zinc/49/71/35/553497135.db2.gz DXIODZZQXMHZAB-HNNXBMFYSA-N 1 2 360.414 1.427 20 5 FDBDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000601968351 553497137 /nfs/dbraw/zinc/49/71/37/553497137.db2.gz DXIODZZQXMHZAB-HNNXBMFYSA-N 1 2 360.414 1.427 20 5 FDBDLO Cn1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000602807248 553642065 /nfs/dbraw/zinc/64/20/65/553642065.db2.gz RDXXENNMWNSKMU-LBPRGKRZSA-N 1 2 355.192 1.914 20 5 FDBDLO Cn1cccc1C(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603683840 553809900 /nfs/dbraw/zinc/80/99/00/553809900.db2.gz CBPLNEQNHFHKAI-UHFFFAOYSA-N 1 2 358.398 1.770 20 5 FDBDLO COCC(=O)NC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000603882427 553823613 /nfs/dbraw/zinc/82/36/13/553823613.db2.gz MCNIAYSVRRUZAX-UHFFFAOYSA-N 1 2 364.402 1.069 20 5 FDBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000604267923 553858282 /nfs/dbraw/zinc/85/82/82/553858282.db2.gz FTLWDOPNNHASFL-ZDUSSCGKSA-N 1 2 359.386 1.506 20 5 FDBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000608904413 554327889 /nfs/dbraw/zinc/32/78/89/554327889.db2.gz SXYYPAIYDWFTTP-UHFFFAOYSA-N 1 2 359.386 1.185 20 5 FDBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609136093 554341243 /nfs/dbraw/zinc/34/12/43/554341243.db2.gz LXHNMNSSFJLOFD-HNNXBMFYSA-N 1 2 357.370 1.385 20 5 FDBDLO Cn1ccnc1C(=O)c1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000609560912 554393811 /nfs/dbraw/zinc/39/38/11/554393811.db2.gz WSBFGPLRANTEOS-UHFFFAOYSA-N 1 2 355.354 1.670 20 5 FDBDLO O=C(C[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1)N1CCCC1 ZINC000609849324 554429670 /nfs/dbraw/zinc/42/96/70/554429670.db2.gz LQVGMGJZBACIJT-UHFFFAOYSA-N 1 2 370.413 1.282 20 5 FDBDLO COc1ccc(C(=O)NCC(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000610015988 554448960 /nfs/dbraw/zinc/44/89/60/554448960.db2.gz JFFLAFVBWOCTGJ-UHFFFAOYSA-N 1 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ZINC000611616486 554656028 /nfs/dbraw/zinc/65/60/28/554656028.db2.gz SRVATUMPXIAITL-UHFFFAOYSA-N 1 2 361.446 1.963 20 5 FDBDLO NS(=O)(=O)c1cccc(N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000612656273 554820362 /nfs/dbraw/zinc/82/03/62/554820362.db2.gz MZQNHAAZXGKQFN-NSHDSACASA-N 1 2 351.388 1.280 20 5 FDBDLO Cc1nc(N2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)cc[nH+]1 ZINC000612663969 554821361 /nfs/dbraw/zinc/82/13/61/554821361.db2.gz PVQRXHLRHAZIQP-UHFFFAOYSA-N 1 2 351.370 1.963 20 5 FDBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000612991815 554868667 /nfs/dbraw/zinc/86/86/67/554868667.db2.gz WFUHDNMWQUCWAD-SNVBAGLBSA-N 1 2 356.342 1.793 20 5 FDBDLO NC(=O)CC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000615992228 555261445 /nfs/dbraw/zinc/26/14/45/555261445.db2.gz UDWOPHWHLOIDIP-UHFFFAOYSA-N 1 2 362.430 1.519 20 5 FDBDLO O=C1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCN1C1CC1 ZINC000619154532 555731453 /nfs/dbraw/zinc/73/14/53/555731453.db2.gz VAYXFRHKGLCRMJ-UHFFFAOYSA-N 1 2 360.414 1.238 20 5 FDBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619494278 555788444 /nfs/dbraw/zinc/78/84/44/555788444.db2.gz MMVSKSPMKNFEAX-RYUDHWBXSA-N 1 2 357.432 1.707 20 5 FDBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619494278 555788445 /nfs/dbraw/zinc/78/84/45/555788445.db2.gz MMVSKSPMKNFEAX-RYUDHWBXSA-N 1 2 357.432 1.707 20 5 FDBDLO CN(C)c1c[nH+]ccc1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000619808216 555837831 /nfs/dbraw/zinc/83/78/31/555837831.db2.gz YAIZFJUSYKRWGC-UHFFFAOYSA-N 1 2 357.370 1.773 20 5 FDBDLO O=C(NC[C@H]1CN2CC[N@@H+]1CCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000619873345 555847702 /nfs/dbraw/zinc/84/77/02/555847702.db2.gz FDWMNZXZHJTECE-ZDUSSCGKSA-N 1 2 355.398 1.263 20 5 FDBDLO O=C(NC[C@H]1CN2CC[N@H+]1CCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000619873345 555847704 /nfs/dbraw/zinc/84/77/04/555847704.db2.gz FDWMNZXZHJTECE-ZDUSSCGKSA-N 1 2 355.398 1.263 20 5 FDBDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000408244129 568139523 /nfs/dbraw/zinc/13/95/23/568139523.db2.gz NKHQTSKLUBHDPS-RYUDHWBXSA-N 1 2 364.427 1.856 20 5 FDBDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000408244129 568139524 /nfs/dbraw/zinc/13/95/24/568139524.db2.gz NKHQTSKLUBHDPS-RYUDHWBXSA-N 1 2 364.427 1.856 20 5 FDBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273349732 674529841 /nfs/dbraw/zinc/52/98/41/674529841.db2.gz OZFCWSDPMHLBOW-STQMWFEESA-N 1 2 360.432 1.090 20 5 FDBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273349732 674529843 /nfs/dbraw/zinc/52/98/43/674529843.db2.gz OZFCWSDPMHLBOW-STQMWFEESA-N 1 2 360.432 1.090 20 5 FDBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccco3)CC2)c(-c2nn[nH]n2)c1 ZINC000826500591 609607575 /nfs/dbraw/zinc/60/75/75/609607575.db2.gz DHOADPDXZWCZKN-UHFFFAOYSA-N 1 2 356.346 1.085 20 5 FDBDLO CCS(=O)(=O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000277784814 675039568 /nfs/dbraw/zinc/03/95/68/675039568.db2.gz MOOGFXTWQYDTHP-AWEZNQCLSA-N 1 2 372.443 1.234 20 5 FDBDLO O=C(C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000127877872 671773031 /nfs/dbraw/zinc/77/30/31/671773031.db2.gz CCZGWIKYSIRPJF-UHFFFAOYSA-N 1 2 366.849 1.988 20 5 FDBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000156340823 671953969 /nfs/dbraw/zinc/95/39/69/671953969.db2.gz XDKLPXYZRZAXPR-ZDUSSCGKSA-N 1 2 350.400 1.883 20 5 FDBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000156340823 671953973 /nfs/dbraw/zinc/95/39/73/671953973.db2.gz XDKLPXYZRZAXPR-ZDUSSCGKSA-N 1 2 350.400 1.883 20 5 FDBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266153703 673066245 /nfs/dbraw/zinc/06/62/45/673066245.db2.gz UPTDACDQBUYSSA-UHFFFAOYSA-N 1 2 358.345 1.772 20 5 FDBDLO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)N(C)C ZINC000266520865 673138313 /nfs/dbraw/zinc/13/83/13/673138313.db2.gz IGOLQXNUSYDSGZ-UHFFFAOYSA-N 1 2 355.391 1.019 20 5 FDBDLO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)N(C)C ZINC000266520865 673138316 /nfs/dbraw/zinc/13/83/16/673138316.db2.gz IGOLQXNUSYDSGZ-UHFFFAOYSA-N 1 2 355.391 1.019 20 5 FDBDLO COc1cc(C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)c([N+](=O)[O-])cc1F ZINC000289376966 676126867 /nfs/dbraw/zinc/12/68/67/676126867.db2.gz ISVXRYBFZDLRPK-UHFFFAOYSA-N 1 2 351.338 1.534 20 5 FDBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267622101 673316536 /nfs/dbraw/zinc/31/65/36/673316536.db2.gz QOHJWZSFUVRKBH-SNVBAGLBSA-N 1 2 354.388 1.237 20 5 FDBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267622101 673316537 /nfs/dbraw/zinc/31/65/37/673316537.db2.gz QOHJWZSFUVRKBH-SNVBAGLBSA-N 1 2 354.388 1.237 20 5 FDBDLO COc1c(F)cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000289404019 676130140 /nfs/dbraw/zinc/13/01/40/676130140.db2.gz AGPBIAKDAPUMPY-UHFFFAOYSA-N 1 2 356.335 1.144 20 5 FDBDLO CCOC(=O)c1ccnc(N(C)[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000278939046 675220988 /nfs/dbraw/zinc/22/09/88/675220988.db2.gz WBKCQTKBWBEWJW-LBPRGKRZSA-N 1 2 352.391 1.323 20 5 FDBDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000285221795 675805683 /nfs/dbraw/zinc/80/56/83/675805683.db2.gz FJSHKTBRWSUPFV-LLVKDONJSA-N 1 2 371.415 1.081 20 5 FDBDLO CC[N@H+]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)C1 ZINC000285221795 675805684 /nfs/dbraw/zinc/80/56/84/675805684.db2.gz FJSHKTBRWSUPFV-LLVKDONJSA-N 1 2 371.415 1.081 20 5 FDBDLO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000298291362 676448745 /nfs/dbraw/zinc/44/87/45/676448745.db2.gz HKXITHZPAJLUST-CQSZACIVSA-N 1 2 353.400 1.910 20 5 FDBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299049774 676514039 /nfs/dbraw/zinc/51/40/39/676514039.db2.gz OXUXEKIECMNZFQ-SNVBAGLBSA-N 1 2 363.399 1.187 20 5 FDBDLO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000377633611 678579443 /nfs/dbraw/zinc/57/94/43/678579443.db2.gz XJMONODPLIDXDD-MWLCHTKSSA-N 1 2 352.778 1.255 20 5 FDBDLO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000377633611 678579446 /nfs/dbraw/zinc/57/94/46/678579446.db2.gz XJMONODPLIDXDD-MWLCHTKSSA-N 1 2 352.778 1.255 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000378259076 678730038 /nfs/dbraw/zinc/73/00/38/678730038.db2.gz BHVCAZGOTKMXCF-NSHDSACASA-N 1 2 366.399 1.515 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000378312011 678738410 /nfs/dbraw/zinc/73/84/10/678738410.db2.gz MNLOKQPHFDSOKG-UONOGXRCSA-N 1 2 369.443 1.435 20 5 FDBDLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000378312011 678738416 /nfs/dbraw/zinc/73/84/16/678738416.db2.gz MNLOKQPHFDSOKG-UONOGXRCSA-N 1 2 369.443 1.435 20 5 FDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000413324668 679256537 /nfs/dbraw/zinc/25/65/37/679256537.db2.gz UAHZAFGENCCTKT-UHFFFAOYSA-N 1 2 350.419 1.547 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)c1F ZINC000413486262 679273118 /nfs/dbraw/zinc/27/31/18/679273118.db2.gz JPISTFPCKRLVFH-NSHDSACASA-N 1 2 350.350 1.934 20 5 FDBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000420441441 680452870 /nfs/dbraw/zinc/45/28/70/680452870.db2.gz INIDNAARAUHEQI-SECBINFHSA-N 1 2 355.750 1.524 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1SC ZINC000428164620 680995964 /nfs/dbraw/zinc/99/59/64/680995964.db2.gz JVHIUEBILLMJPT-NSHDSACASA-N 1 2 369.443 1.464 20 5 FDBDLO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1SC ZINC000428164620 680995965 /nfs/dbraw/zinc/99/59/65/680995965.db2.gz JVHIUEBILLMJPT-NSHDSACASA-N 1 2 369.443 1.464 20 5 FDBDLO CNS(=O)(=O)c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000474784345 685461917 /nfs/dbraw/zinc/46/19/17/685461917.db2.gz 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CLKRLBOLWMJAMI-UHFFFAOYSA-N 1 2 351.407 1.066 20 5 FDBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000367351907 260028770 /nfs/dbraw/zinc/02/87/70/260028770.db2.gz SFUDANOOKHPERG-GOSISDBHSA-N 1 2 374.441 1.354 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000367572462 260062879 /nfs/dbraw/zinc/06/28/79/260062879.db2.gz FEOWSZCRMJREPG-HYVNUMGLSA-N 1 2 352.387 1.214 20 5 FDBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000367572462 260062880 /nfs/dbraw/zinc/06/28/80/260062880.db2.gz FEOWSZCRMJREPG-HYVNUMGLSA-N 1 2 352.387 1.214 20 5 FDBDLO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000368080465 260132917 /nfs/dbraw/zinc/13/29/17/260132917.db2.gz CVMYGEQNNVZDBA-UHFFFAOYSA-N 1 2 356.791 1.958 20 5 FDBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368966028 260269307 /nfs/dbraw/zinc/26/93/07/260269307.db2.gz MZVHOSVGUUEPNJ-WFGGJUAMSA-N 1 2 360.414 1.816 20 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C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373585932 261022347 /nfs/dbraw/zinc/02/23/47/261022347.db2.gz PCVGFHPBSCGBLY-NFAWXSAZSA-N 1 2 351.407 1.112 20 5 FDBDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373585932 261022348 /nfs/dbraw/zinc/02/23/48/261022348.db2.gz PCVGFHPBSCGBLY-NFAWXSAZSA-N 1 2 351.407 1.112 20 5 FDBDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000374130216 261082458 /nfs/dbraw/zinc/08/24/58/261082458.db2.gz LWNDGBIBZRAQPP-KYOSRNDESA-N 1 2 369.381 1.520 20 5 FDBDLO Cc1cn2c([nH+]1)CN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CC2 ZINC000374667143 261172057 /nfs/dbraw/zinc/17/20/57/261172057.db2.gz ZHLURLDVWJFUIG-UHFFFAOYSA-N 1 2 364.383 1.159 20 5 FDBDLO COc1ccc(NC(=O)[C@@H](C)N2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000374683234 261175002 /nfs/dbraw/zinc/17/50/02/261175002.db2.gz PKELPKCFZHZMHM-GFCCVEGCSA-N 1 2 359.386 1.951 20 5 FDBDLO 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353.342 1.889 20 5 FDBDLO O=C([C@H]1CCCO1)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055898441 523871999 /nfs/dbraw/zinc/87/19/99/523871999.db2.gz SRZVYNQVRVOFHW-QGZVFWFLSA-N 1 2 363.414 1.687 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000172017200 524092883 /nfs/dbraw/zinc/09/28/83/524092883.db2.gz JDMPEWLNZZDYTH-AWEZNQCLSA-N 1 2 371.459 1.538 20 5 FDBDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000172017200 524092885 /nfs/dbraw/zinc/09/28/85/524092885.db2.gz JDMPEWLNZZDYTH-AWEZNQCLSA-N 1 2 371.459 1.538 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000156708455 524135957 /nfs/dbraw/zinc/13/59/57/524135957.db2.gz RKCQOTUPXBFLEW-LBPRGKRZSA-N 1 2 357.794 1.013 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121218530 524190253 /nfs/dbraw/zinc/19/02/53/524190253.db2.gz ZFFKRCATYXEKJB-CYBMUJFWSA-N 1 2 360.414 1.866 20 5 FDBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121218530 524190259 /nfs/dbraw/zinc/19/02/59/524190259.db2.gz ZFFKRCATYXEKJB-CYBMUJFWSA-N 1 2 360.414 1.866 20 5 FDBDLO O=C(C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111292289 524251600 /nfs/dbraw/zinc/25/16/00/524251600.db2.gz GOOPKIBDUAPFCN-MRXNPFEDSA-N 1 2 372.425 1.571 20 5 FDBDLO O=C(C[N@H+]1CCC[C@@H](N2CCCC2=O)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111292289 524251602 /nfs/dbraw/zinc/25/16/02/524251602.db2.gz GOOPKIBDUAPFCN-MRXNPFEDSA-N 1 2 372.425 1.571 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294002 524251905 /nfs/dbraw/zinc/25/19/05/524251905.db2.gz GZVRUVSUZYUJFX-AWEZNQCLSA-N 1 2 360.414 1.929 20 5 FDBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294002 524251913 /nfs/dbraw/zinc/25/19/13/524251913.db2.gz GZVRUVSUZYUJFX-AWEZNQCLSA-N 1 2 360.414 1.929 20 5 FDBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087032775 524407301 /nfs/dbraw/zinc/40/73/01/524407301.db2.gz UBFPFFUITBEFFE-AWEZNQCLSA-N 1 2 374.441 1.339 20 5 FDBDLO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000147033629 524428774 /nfs/dbraw/zinc/42/87/74/524428774.db2.gz WHJLKECMERRVSF-GFCCVEGCSA-N 1 2 369.443 1.603 20 5 FDBDLO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000147033629 524428779 /nfs/dbraw/zinc/42/87/79/524428779.db2.gz WHJLKECMERRVSF-GFCCVEGCSA-N 1 2 369.443 1.603 20 5 FDBDLO COCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000088484147 524451909 /nfs/dbraw/zinc/45/19/09/524451909.db2.gz QLDGUSFUPWLXSV-ZDUSSCGKSA-N 1 2 357.432 1.326 20 5 FDBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1C ZINC000122349330 524515721 /nfs/dbraw/zinc/51/57/21/524515721.db2.gz AKBQAOLZIPWPSI-CHWSQXEVSA-N 1 2 371.459 1.287 20 5 FDBDLO 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COc1cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000159550669 524695169 /nfs/dbraw/zinc/69/51/69/524695169.db2.gz YWSJCMVKZQVRRN-UHFFFAOYSA-N 1 2 356.382 1.956 20 5 FDBDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000159773537 524737338 /nfs/dbraw/zinc/73/73/38/524737338.db2.gz RWAKUFFVPWXVQN-OAHLLOKOSA-N 1 2 351.428 1.766 20 5 FDBDLO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000160023317 524791983 /nfs/dbraw/zinc/79/19/83/524791983.db2.gz VXSWIDAGCOIBKZ-UHFFFAOYSA-N 1 2 372.429 1.385 20 5 FDBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000152597141 524941346 /nfs/dbraw/zinc/94/13/46/524941346.db2.gz CCWAVDKVRHMMAO-HNNXBMFYSA-N 1 2 367.446 1.901 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000116060690 525096475 /nfs/dbraw/zinc/09/64/75/525096475.db2.gz XWPGCIGFDYDZPD-UHFFFAOYSA-N 1 2 356.386 1.964 20 5 FDBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000103462575 525356150 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ZINC000171143009 525870629 /nfs/dbraw/zinc/87/06/29/525870629.db2.gz OOQCIMZMOVDNSV-UHFFFAOYSA-N 1 2 357.432 1.064 20 5 FDBDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119841746 525883041 /nfs/dbraw/zinc/88/30/41/525883041.db2.gz GFHOJVLUNKNOSP-CQSZACIVSA-N 1 2 362.430 1.610 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000182181898 526084536 /nfs/dbraw/zinc/08/45/36/526084536.db2.gz IFXREWIXSPHHBC-OAHLLOKOSA-N 1 2 353.444 1.539 20 5 FDBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000182181898 526084545 /nfs/dbraw/zinc/08/45/45/526084545.db2.gz IFXREWIXSPHHBC-OAHLLOKOSA-N 1 2 353.444 1.539 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000183961281 536072836 /nfs/dbraw/zinc/07/28/36/536072836.db2.gz KYLQEVZQMQRQKS-UHFFFAOYSA-N 1 2 367.365 1.597 20 5 FDBDLO CCCc1n[nH]c(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000184954553 536193592 /nfs/dbraw/zinc/19/35/92/536193592.db2.gz 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CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187274420 536259862 /nfs/dbraw/zinc/25/98/62/536259862.db2.gz WEDZHFSUEDHEIL-LBPRGKRZSA-N 1 2 353.444 1.845 20 5 FDBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187292447 536260649 /nfs/dbraw/zinc/26/06/49/536260649.db2.gz CMNJDIZMPBVNFX-CHWSQXEVSA-N 1 2 353.444 1.600 20 5 FDBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187292447 536260650 /nfs/dbraw/zinc/26/06/50/536260650.db2.gz CMNJDIZMPBVNFX-CHWSQXEVSA-N 1 2 353.444 1.600 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188287737 536288755 /nfs/dbraw/zinc/28/87/55/536288755.db2.gz UICOMYUUGJICRE-FRRDWIJNSA-N 1 2 365.434 1.594 20 5 FDBDLO CCc1n[nH]c(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188287737 536288756 /nfs/dbraw/zinc/28/87/56/536288756.db2.gz UICOMYUUGJICRE-FRRDWIJNSA-N 1 2 365.434 1.594 20 5 FDBDLO 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367.409 1.917 20 5 FDBDLO CCOc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1[N+](=O)[O-] ZINC000610113772 554463166 /nfs/dbraw/zinc/46/31/66/554463166.db2.gz XIHBIMMDHXMAJX-UHFFFAOYSA-N 1 2 374.401 1.043 20 5 FDBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc2[nH+]ccn21 ZINC000610210481 554473788 /nfs/dbraw/zinc/47/37/88/554473788.db2.gz VQDMLRKCUWXZCR-UHFFFAOYSA-N 1 2 367.321 1.607 20 5 FDBDLO Cn1cc(C[NH2+]Cc2nnnn2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000610272411 554485550 /nfs/dbraw/zinc/48/55/50/554485550.db2.gz WKZQYJWISWZFPY-UHFFFAOYSA-N 1 2 354.374 1.607 20 5 FDBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000610307612 554490075 /nfs/dbraw/zinc/49/00/75/554490075.db2.gz WOKZKDSUBBUHIQ-GOSISDBHSA-N 1 2 369.381 1.523 20 5 FDBDLO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000610395122 554499495 /nfs/dbraw/zinc/49/94/95/554499495.db2.gz AYYTXUQQNZFQQQ-SCDSUCTJSA-N 1 2 364.320 1.986 20 5 FDBDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000610395122 554499500 /nfs/dbraw/zinc/49/95/00/554499500.db2.gz AYYTXUQQNZFQQQ-SCDSUCTJSA-N 1 2 364.320 1.986 20 5 FDBDLO O=C(NCc1c[nH+]c[nH]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000611223489 554616799 /nfs/dbraw/zinc/61/67/99/554616799.db2.gz OMTNYQRBDUBWNT-UHFFFAOYSA-N 1 2 372.122 1.853 20 5 FDBDLO O=C(NCc1c[nH]c[nH+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000611223489 554616800 /nfs/dbraw/zinc/61/68/00/554616800.db2.gz OMTNYQRBDUBWNT-UHFFFAOYSA-N 1 2 372.122 1.853 20 5 FDBDLO O=C(C[N@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000611254115 554619607 /nfs/dbraw/zinc/61/96/07/554619607.db2.gz ZCZBKJDVWOTBDX-UHFFFAOYSA-N 1 2 362.430 1.431 20 5 FDBDLO O=C(C[N@@H+]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000611254115 554619608 /nfs/dbraw/zinc/61/96/08/554619608.db2.gz ZCZBKJDVWOTBDX-UHFFFAOYSA-N 1 2 362.430 1.431 20 5 FDBDLO CN(C)S(=O)(=O)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611254022 554619738 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COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000619498069 555790053 /nfs/dbraw/zinc/79/00/53/555790053.db2.gz QMNMEFAMNBMGOD-JTQLQIEISA-N 1 2 352.372 1.093 20 5 FDBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000619873097 555847353 /nfs/dbraw/zinc/84/73/53/555847353.db2.gz ZVTCYLXUBLOGIV-UHFFFAOYSA-N 1 2 359.386 1.823 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481512397 568021764 /nfs/dbraw/zinc/02/17/64/568021764.db2.gz XIELGUAMRVWSRR-INWMFGNUSA-N 1 2 352.387 1.608 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481512397 568021767 /nfs/dbraw/zinc/02/17/67/568021767.db2.gz XIELGUAMRVWSRR-INWMFGNUSA-N 1 2 352.387 1.608 20 5 FDBDLO CC(C)(C)OC(=O)C1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000453040257 568262362 /nfs/dbraw/zinc/26/23/62/568262362.db2.gz PZIWAXCIXVWXCL-AWEZNQCLSA-N 1 2 352.387 1.608 20 5 FDBDLO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCn1cc[nH+]c1 ZINC000273440280 674537688 /nfs/dbraw/zinc/53/76/88/674537688.db2.gz CSSIKGRPRSMUBR-UHFFFAOYSA-N 1 2 355.376 1.085 20 5 FDBDLO NS(=O)(=O)c1cccc(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000273484459 674542022 /nfs/dbraw/zinc/54/20/22/674542022.db2.gz NKIABOODTVDAJA-UHFFFAOYSA-N 1 2 366.399 1.157 20 5 FDBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000823620602 607163671 /nfs/dbraw/zinc/16/36/71/607163671.db2.gz NEYRVCRWWCFSSH-UHFFFAOYSA-N 1 2 372.414 1.554 20 5 FDBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000277574531 674970555 /nfs/dbraw/zinc/97/05/55/674970555.db2.gz OBOUKELXRSGFEC-YDBLSZJJSA-N 1 2 362.411 1.764 20 5 FDBDLO C[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000125427245 671748035 /nfs/dbraw/zinc/74/80/35/671748035.db2.gz HOLLSLSWJLWGIO-LBPRGKRZSA-N 1 2 351.407 1.635 20 5 FDBDLO C[N@H+]1CCN(c2ncccc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000125427245 671748039 /nfs/dbraw/zinc/74/80/39/671748039.db2.gz HOLLSLSWJLWGIO-LBPRGKRZSA-N 1 2 351.407 1.635 20 5 FDBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264243449 672904889 /nfs/dbraw/zinc/90/48/89/672904889.db2.gz BYDIZIAVUOSZTA-VXGBXAGGSA-N 1 2 352.391 1.834 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266523894 673139007 /nfs/dbraw/zinc/13/90/07/673139007.db2.gz JMVSRAGZWZSEAE-GFCCVEGCSA-N 1 2 360.432 1.737 20 5 FDBDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266523894 673139009 /nfs/dbraw/zinc/13/90/09/673139009.db2.gz JMVSRAGZWZSEAE-GFCCVEGCSA-N 1 2 360.432 1.737 20 5 FDBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CCCO)CC1 ZINC000279349936 675280753 /nfs/dbraw/zinc/28/07/53/675280753.db2.gz FKDPWYZFRJFCLH-UHFFFAOYSA-N 1 2 357.794 1.539 20 5 FDBDLO CCOc1cc(N2CC[NH+](CC(=O)N(C)CC)CC2)ccc1[N+](=O)[O-] ZINC000280150259 675386629 /nfs/dbraw/zinc/38/66/29/675386629.db2.gz DCQRCUMSDJSQOT-UHFFFAOYSA-N 1 2 350.419 1.594 20 5 FDBDLO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000361342609 676891307 /nfs/dbraw/zinc/89/13/07/676891307.db2.gz OFROTYGEZQDZLV-MRXNPFEDSA-N 1 2 351.359 1.427 20 5 FDBDLO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000361342609 676891310 /nfs/dbraw/zinc/89/13/10/676891310.db2.gz OFROTYGEZQDZLV-MRXNPFEDSA-N 1 2 351.359 1.427 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000361787681 676901659 /nfs/dbraw/zinc/90/16/59/676901659.db2.gz JPBVUJCSMHNBAS-SNVBAGLBSA-N 1 2 354.363 1.646 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000362055624 676907016 /nfs/dbraw/zinc/90/70/16/676907016.db2.gz YBNLQYDLYJXYQH-AWEZNQCLSA-N 1 2 364.427 1.690 20 5 FDBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364135285 676994597 /nfs/dbraw/zinc/99/45/97/676994597.db2.gz JWYZREPWESWBPB-ZDUSSCGKSA-N 1 2 371.484 1.715 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000371053761 677642554 /nfs/dbraw/zinc/64/25/54/677642554.db2.gz LCMSZQYOJYRKDK-JTQLQIEISA-N 1 2 354.363 1.646 20 5 FDBDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375933276 678198759 /nfs/dbraw/zinc/19/87/59/678198759.db2.gz OLZSPNSVYPLPLN-LBPRGKRZSA-N 1 2 350.400 1.897 20 5 FDBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000413953675 679319195 /nfs/dbraw/zinc/31/91/95/679319195.db2.gz GVNBTGNKTCNSLL-UHFFFAOYSA-N 1 2 351.359 1.164 20 5 FDBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC000420436621 680450089 /nfs/dbraw/zinc/45/00/89/680450089.db2.gz BEWREFBUJCWDJE-LLVKDONJSA-N 1 2 363.386 1.735 20 5 FDBDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000425197513 680881967 /nfs/dbraw/zinc/88/19/67/680881967.db2.gz BUIFGJSUKSRZIS-UHFFFAOYSA-N 1 2 371.459 1.635 20 5 FDBDLO CO[C@@H](C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000425387199 680896750 /nfs/dbraw/zinc/89/67/50/680896750.db2.gz 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COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000842968254 907986818 /nfs/dbraw/zinc/98/68/18/907986818.db2.gz VFNGDHCVNWUBCW-BBRMVZONSA-N 1 2 366.414 1.725 20 5 FDBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000282191769 909237977 /nfs/dbraw/zinc/23/79/77/909237977.db2.gz HHIDFFMPJJEGRA-UHFFFAOYSA-N 1 2 370.413 1.342 20 5 FDBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000282191769 909237990 /nfs/dbraw/zinc/23/79/90/909237990.db2.gz HHIDFFMPJJEGRA-UHFFFAOYSA-N 1 2 370.413 1.342 20 5 FDBDLO CC(C)(C)c1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC001086082434 925916125 /nfs/dbraw/zinc/91/61/25/925916125.db2.gz NZKQMNWLTNVATJ-WRWGMCAJSA-N 1 2 351.407 1.017 20 5 FDBDLO Cc1nn(CCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000742239493 925981588 /nfs/dbraw/zinc/98/15/88/925981588.db2.gz VXKLPBIIBBYVQU-UHFFFAOYSA-N 1 2 373.404 1.986 20 5 FDBDLO Cc1nn(CCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000742239493 925981590 /nfs/dbraw/zinc/98/15/90/925981590.db2.gz VXKLPBIIBBYVQU-UHFFFAOYSA-N 1 2 373.404 1.986 20 5 FDBDLO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000742406197 926042925 /nfs/dbraw/zinc/04/29/25/926042925.db2.gz GADNWHHJWYDOPG-UHFFFAOYSA-N 1 2 357.432 1.524 20 5 FDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001169018249 928238459 /nfs/dbraw/zinc/23/84/59/928238459.db2.gz ACKJARXPUVSDKO-LULLPPNCSA-N 1 2 360.458 1.802 20 5 FDBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001169018249 928238475 /nfs/dbraw/zinc/23/84/75/928238475.db2.gz ACKJARXPUVSDKO-LULLPPNCSA-N 1 2 360.458 1.802 20 5 FDBDLO Cn1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1=O ZINC000785676554 931540905 /nfs/dbraw/zinc/54/09/05/931540905.db2.gz VZPUNPWERKCGKF-UHFFFAOYSA-N 1 2 354.322 1.836 20 5 FDBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000787406015 932284069 /nfs/dbraw/zinc/28/40/69/932284069.db2.gz JVYOWQWDZWYEHP-ZHSJKAEUSA-N 1 2 351.472 1.994 20 5 FDBDLO O=C1CCCN1[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000790453079 933559183 /nfs/dbraw/zinc/55/91/83/933559183.db2.gz IFBMEOSGQBVVNM-HNNXBMFYSA-N 1 2 356.386 1.508 20 5 FDBDLO O=C1CCCN1[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000790453079 933559191 /nfs/dbraw/zinc/55/91/91/933559191.db2.gz IFBMEOSGQBVVNM-HNNXBMFYSA-N 1 2 356.386 1.508 20 5 FDBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000805473942 938750721 /nfs/dbraw/zinc/75/07/21/938750721.db2.gz QIBKFXJLWHPHCQ-CYBMUJFWSA-N 1 2 371.777 1.451 20 5 FDBDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000805473942 938750722 /nfs/dbraw/zinc/75/07/22/938750722.db2.gz QIBKFXJLWHPHCQ-CYBMUJFWSA-N 1 2 371.777 1.451 20 5 FDBDLO C[C@H]1CN(C(=O)COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000808786227 940609277 /nfs/dbraw/zinc/60/92/77/940609277.db2.gz KHCYLLQEBLISQK-LBPRGKRZSA-N 1 2 374.353 1.185 20 5 FDBDLO O=C1CN(C[N@@H+]2CC[C@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000812292400 941193659 /nfs/dbraw/zinc/19/36/59/941193659.db2.gz HZIDDSBHAAMIGB-HNNXBMFYSA-N 1 2 370.369 1.464 20 5 FDBDLO O=C1CN(C[N@H+]2CC[C@H](n3cccn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000812292400 941193660 /nfs/dbraw/zinc/19/36/60/941193660.db2.gz HZIDDSBHAAMIGB-HNNXBMFYSA-N 1 2 370.369 1.464 20 5 FDBDLO CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000812295636 941193919 /nfs/dbraw/zinc/19/39/19/941193919.db2.gz IODPXTDEZXFHKU-WMLDXEAASA-N 1 2 362.386 1.430 20 5 FDBDLO CC[N@@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)[C@H]1CCOC1 ZINC000812295636 941193921 /nfs/dbraw/zinc/19/39/21/941193921.db2.gz IODPXTDEZXFHKU-WMLDXEAASA-N 1 2 362.386 1.430 20 5 FDBDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032730 941765086 /nfs/dbraw/zinc/76/50/86/941765086.db2.gz XMFPPYWPEIQXCE-UHFFFAOYSA-N 1 2 362.770 1.642 20 5 FDBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816942542 942415386 /nfs/dbraw/zinc/41/53/86/942415386.db2.gz SQMFEEVQVWCNBZ-NSHDSACASA-N 1 2 369.805 1.958 20 5 FDBDLO Cc1cncc(C[N@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001195487660 970987824 /nfs/dbraw/zinc/98/78/24/970987824.db2.gz IUAONFJPRMQTBW-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO Cc1cncc(C[N@@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC001195487660 970987828 /nfs/dbraw/zinc/98/78/28/970987828.db2.gz IUAONFJPRMQTBW-UHFFFAOYSA-N 1 2 364.427 1.709 20 5 FDBDLO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000845774862 949909949 /nfs/dbraw/zinc/90/99/49/949909949.db2.gz WKSUZMVRLZJFMY-UHFFFAOYSA-N 1 2 354.363 1.288 20 5 FDBDLO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000846940808 951707284 /nfs/dbraw/zinc/70/72/84/951707284.db2.gz WTHBMVBKVMMIJM-HNNXBMFYSA-N 1 2 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ZINC000367601625 260066782 /nfs/dbraw/zinc/06/67/82/260066782.db2.gz GQCJCBGGCXTBOJ-JKSUJKDBSA-N 1 2 352.387 1.862 20 5 FDBDLO Cc1noc(C2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)n1 ZINC000370134755 260493061 /nfs/dbraw/zinc/49/30/61/260493061.db2.gz YKXQLCQPIZDSRV-UHFFFAOYSA-N 1 2 354.326 1.712 20 5 FDBDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(-n3cncn3)c([N+](=O)[O-])c1)C2 ZINC000373995010 261062543 /nfs/dbraw/zinc/06/25/43/261062543.db2.gz ZRLXLFFXINIOOI-ZDUSSCGKSA-N 1 2 367.369 1.425 20 5 FDBDLO Cc1c(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000374210947 261094474 /nfs/dbraw/zinc/09/44/74/261094474.db2.gz IUSXCTAHASRYTB-UHFFFAOYSA-N 1 2 357.370 1.971 20 5 FDBDLO Cc1c(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000374210947 261094476 /nfs/dbraw/zinc/09/44/76/261094476.db2.gz IUSXCTAHASRYTB-UHFFFAOYSA-N 1 2 357.370 1.971 20 5 FDBDLO CN1CCN(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374743633 261186802 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IQBWDCBBXIUROW-DAXOMENPSA-N 1 2 360.370 1.703 20 5 FDBDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC12COC2 ZINC000451138597 538196477 /nfs/dbraw/zinc/19/64/77/538196477.db2.gz QSENJCPGTAXQRW-GFCCVEGCSA-N 1 2 356.325 1.885 20 5 FDBDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC12COC2 ZINC000451138597 538196481 /nfs/dbraw/zinc/19/64/81/538196481.db2.gz QSENJCPGTAXQRW-GFCCVEGCSA-N 1 2 356.325 1.885 20 5 FDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)C2)nc1 ZINC000440501638 538247765 /nfs/dbraw/zinc/24/77/65/538247765.db2.gz QOFITQRYSFROIG-ZDUSSCGKSA-N 1 2 366.385 1.652 20 5 FDBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)C2)nc1 ZINC000440501638 538247769 /nfs/dbraw/zinc/24/77/69/538247769.db2.gz QOFITQRYSFROIG-ZDUSSCGKSA-N 1 2 366.385 1.652 20 5 FDBDLO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000424537315 538325502 /nfs/dbraw/zinc/32/55/02/538325502.db2.gz BMCQORFIGAEION-MNOVXSKESA-N 1 2 370.356 1.133 20 5 FDBDLO Cc1cc(C(=O)NCC(=O)Nc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000452334112 538375702 /nfs/dbraw/zinc/37/57/02/538375702.db2.gz LOMFBJRJJDVRAN-UHFFFAOYSA-N 1 2 357.370 1.805 20 5 FDBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)N1CCCCC1 ZINC000448764356 538411744 /nfs/dbraw/zinc/41/17/44/538411744.db2.gz RNBRBKUFUHRAPQ-CYBMUJFWSA-N 1 2 371.397 1.911 20 5 FDBDLO CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)C1=O ZINC000426345821 538422773 /nfs/dbraw/zinc/42/27/73/538422773.db2.gz NVTAUUIRSSXVDS-GFCCVEGCSA-N 1 2 357.370 1.473 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000486761855 538561652 /nfs/dbraw/zinc/56/16/52/538561652.db2.gz MJIWOKKISATTSI-CYBMUJFWSA-N 1 2 352.391 1.836 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000486761855 538561662 /nfs/dbraw/zinc/56/16/62/538561662.db2.gz MJIWOKKISATTSI-CYBMUJFWSA-N 1 2 352.391 1.836 20 5 FDBDLO CC[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000472314299 538623201 /nfs/dbraw/zinc/62/32/01/538623201.db2.gz HEFPULVKKOSIMM-HOTGVXAUSA-N 1 2 362.430 1.915 20 5 FDBDLO CC[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000472314299 538623209 /nfs/dbraw/zinc/62/32/09/538623209.db2.gz HEFPULVKKOSIMM-HOTGVXAUSA-N 1 2 362.430 1.915 20 5 FDBDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)c[nH+]2)C[C@H](C)O1 ZINC000478066073 538713141 /nfs/dbraw/zinc/71/31/41/538713141.db2.gz XRRFNMUIBKUSAL-RYUDHWBXSA-N 1 2 374.401 1.267 20 5 FDBDLO C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1c1ccc(F)c(F)c1 ZINC000497488440 538762570 /nfs/dbraw/zinc/76/25/70/538762570.db2.gz GQJLJNPUJJUMGL-TZMCWYRMSA-N 1 2 366.328 1.026 20 5 FDBDLO C[N@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1c1ccc(F)c(F)c1 ZINC000497488440 538762575 /nfs/dbraw/zinc/76/25/75/538762575.db2.gz GQJLJNPUJJUMGL-TZMCWYRMSA-N 1 2 366.328 1.026 20 5 FDBDLO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489410101 538809023 /nfs/dbraw/zinc/80/90/23/538809023.db2.gz YHCFFOBPCLESQO-WFASDCNBSA-N 1 2 367.402 1.668 20 5 FDBDLO COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489410101 538809026 /nfs/dbraw/zinc/80/90/26/538809026.db2.gz YHCFFOBPCLESQO-WFASDCNBSA-N 1 2 367.402 1.668 20 5 FDBDLO CCc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000566170818 547637681 /nfs/dbraw/zinc/63/76/81/547637681.db2.gz UVMGWRLSOZHDKI-LBPRGKRZSA-N 1 2 350.400 1.647 20 5 FDBDLO Cc1c(CNc2nc(NCCO)c3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000571587256 549699838 /nfs/dbraw/zinc/69/98/38/549699838.db2.gz RYBRDEYZIMMFJV-UHFFFAOYSA-N 1 2 353.382 1.707 20 5 FDBDLO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000572100947 549841709 /nfs/dbraw/zinc/84/17/09/549841709.db2.gz BRVHNNXLFFEUHQ-CZUORRHYSA-N 1 2 374.376 1.404 20 5 FDBDLO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000574105986 550258012 /nfs/dbraw/zinc/25/80/12/550258012.db2.gz HWSRBIQYHYWOKJ-GFCCVEGCSA-N 1 2 369.368 1.739 20 5 FDBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(N3CN=NC3=O)CC2)cccc1[N+](=O)[O-] ZINC000575813078 550478780 /nfs/dbraw/zinc/47/87/80/550478780.db2.gz VNMROLOLDSYIAJ-GFCCVEGCSA-N 1 2 374.401 1.864 20 5 FDBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000576867180 550594558 /nfs/dbraw/zinc/59/45/58/550594558.db2.gz DWTXAQSCVXKQMN-UHFFFAOYSA-N 1 2 357.370 1.719 20 5 FDBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000579422687 550871341 /nfs/dbraw/zinc/87/13/41/550871341.db2.gz XDBAGYFNRWZKLO-CYBMUJFWSA-N 1 2 365.386 1.207 20 5 FDBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000579422687 550871343 /nfs/dbraw/zinc/87/13/43/550871343.db2.gz XDBAGYFNRWZKLO-CYBMUJFWSA-N 1 2 365.386 1.207 20 5 FDBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000580460843 550984834 /nfs/dbraw/zinc/98/48/34/550984834.db2.gz ITIPLCPJXLGMPR-CYBMUJFWSA-N 1 2 374.397 1.145 20 5 FDBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000581062845 551047908 /nfs/dbraw/zinc/04/79/08/551047908.db2.gz OVBUHWYEZQIINY-UHFFFAOYSA-N 1 2 368.353 1.409 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000584170382 551457915 /nfs/dbraw/zinc/45/79/15/551457915.db2.gz MAHKIHPAOQVUDQ-STQMWFEESA-N 1 2 371.459 1.233 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000584170382 551457916 /nfs/dbraw/zinc/45/79/16/551457916.db2.gz MAHKIHPAOQVUDQ-STQMWFEESA-N 1 2 371.459 1.233 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000584170380 551458005 /nfs/dbraw/zinc/45/80/05/551458005.db2.gz MAHKIHPAOQVUDQ-OLZOCXBDSA-N 1 2 371.459 1.233 20 5 FDBDLO CCc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000584170380 551458007 /nfs/dbraw/zinc/45/80/07/551458007.db2.gz MAHKIHPAOQVUDQ-OLZOCXBDSA-N 1 2 371.459 1.233 20 5 FDBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000585718156 551586644 /nfs/dbraw/zinc/58/66/44/551586644.db2.gz KVCSTYBKFJLOPX-UONOGXRCSA-N 1 2 361.320 1.495 20 5 FDBDLO Cn1c2cc(NCC[N@@H+]3CCOCC3(C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587862072 551636098 /nfs/dbraw/zinc/63/60/98/551636098.db2.gz CPXQZYUQCZMSBH-UHFFFAOYSA-N 1 2 363.418 1.308 20 5 FDBDLO Cn1c2cc(NCC[N@H+]3CCOCC3(C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587862072 551636101 /nfs/dbraw/zinc/63/61/01/551636101.db2.gz CPXQZYUQCZMSBH-UHFFFAOYSA-N 1 2 363.418 1.308 20 5 FDBDLO CCS(=O)(=O)N1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000588210535 551657812 /nfs/dbraw/zinc/65/78/12/551657812.db2.gz WCKFPZBDFZWSHB-CQSZACIVSA-N 1 2 371.459 1.720 20 5 FDBDLO CCS(=O)(=O)N1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000588210535 551657814 /nfs/dbraw/zinc/65/78/14/551657814.db2.gz WCKFPZBDFZWSHB-CQSZACIVSA-N 1 2 371.459 1.720 20 5 FDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000588843280 551692281 /nfs/dbraw/zinc/69/22/81/551692281.db2.gz SIPAOSMEAFGPNA-AWEZNQCLSA-N 1 2 359.386 1.549 20 5 FDBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000588843280 551692282 /nfs/dbraw/zinc/69/22/82/551692282.db2.gz SIPAOSMEAFGPNA-AWEZNQCLSA-N 1 2 359.386 1.549 20 5 FDBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501789 551733908 /nfs/dbraw/zinc/73/39/08/551733908.db2.gz DMAKXRSYHBCVSN-ZDUSSCGKSA-N 1 2 368.411 1.862 20 5 FDBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501789 551733910 /nfs/dbraw/zinc/73/39/10/551733910.db2.gz DMAKXRSYHBCVSN-ZDUSSCGKSA-N 1 2 368.411 1.862 20 5 FDBDLO Cn1ccnc1C(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000589605506 551737818 /nfs/dbraw/zinc/73/78/18/551737818.db2.gz TXZNCXZHMMJKPM-UHFFFAOYSA-N 1 2 352.354 1.776 20 5 FDBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000590543969 551790159 /nfs/dbraw/zinc/79/01/59/551790159.db2.gz JDDLZSCHVMLQGD-UHFFFAOYSA-N 1 2 350.404 1.552 20 5 FDBDLO NC(=O)c1ccc(SCC(=O)N2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000590552399 551791265 /nfs/dbraw/zinc/79/12/65/551791265.db2.gz JXSHPRBMEDRWMM-UHFFFAOYSA-N 1 2 361.383 1.094 20 5 FDBDLO NC(=O)c1ccc(SCC(=O)N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000590552399 551791266 /nfs/dbraw/zinc/79/12/66/551791266.db2.gz JXSHPRBMEDRWMM-UHFFFAOYSA-N 1 2 361.383 1.094 20 5 FDBDLO CN(CCN1CCCS1(=O)=O)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591150902 551847396 /nfs/dbraw/zinc/84/73/96/551847396.db2.gz QKYKVJTVPYGACQ-UHFFFAOYSA-N 1 2 350.400 1.615 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000592194995 551956477 /nfs/dbraw/zinc/95/64/77/551956477.db2.gz IMGMCXAGXBZSLX-JHJVBQTASA-N 1 2 365.386 1.086 20 5 FDBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000592194995 551956478 /nfs/dbraw/zinc/95/64/78/551956478.db2.gz IMGMCXAGXBZSLX-JHJVBQTASA-N 1 2 365.386 1.086 20 5 FDBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000592198390 551957951 /nfs/dbraw/zinc/95/79/51/551957951.db2.gz ODDVZVXHGCCKSF-ZFWWWQNUSA-N 1 2 352.387 1.738 20 5 FDBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000592198390 551957953 /nfs/dbraw/zinc/95/79/53/551957953.db2.gz ODDVZVXHGCCKSF-ZFWWWQNUSA-N 1 2 352.387 1.738 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000592203740 551959331 /nfs/dbraw/zinc/95/93/31/551959331.db2.gz ZHDFPJNNZZJMJI-KOLCDFICSA-N 1 2 371.777 1.043 20 5 FDBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000592203740 551959332 /nfs/dbraw/zinc/95/93/32/551959332.db2.gz ZHDFPJNNZZJMJI-KOLCDFICSA-N 1 2 371.777 1.043 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593076342 552058924 /nfs/dbraw/zinc/05/89/24/552058924.db2.gz MZJAITDGNSZQCO-UHFFFAOYSA-N 1 2 374.401 1.546 20 5 FDBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593153811 552067958 /nfs/dbraw/zinc/06/79/58/552067958.db2.gz WGSBVFLVRXZDRV-SWLSCSKDSA-N 1 2 351.378 1.598 20 5 FDBDLO Cc1c(Br)c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ncc1[N+](=O)[O-] ZINC000593502945 552118370 /nfs/dbraw/zinc/11/83/70/552118370.db2.gz FWEICYOKVQPBHP-SNVBAGLBSA-N 1 2 357.208 1.316 20 5 FDBDLO Cc1c(Br)c(N2CC([N@H+]3CC[C@@H](O)C3)C2)ncc1[N+](=O)[O-] ZINC000593502945 552118372 /nfs/dbraw/zinc/11/83/72/552118372.db2.gz FWEICYOKVQPBHP-SNVBAGLBSA-N 1 2 357.208 1.316 20 5 FDBDLO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594400501 552303453 /nfs/dbraw/zinc/30/34/53/552303453.db2.gz COYPDYPNPFMYIF-UTUOFQBUSA-N 1 2 353.423 1.498 20 5 FDBDLO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594400501 552303455 /nfs/dbraw/zinc/30/34/55/552303455.db2.gz COYPDYPNPFMYIF-UTUOFQBUSA-N 1 2 353.423 1.498 20 5 FDBDLO 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ZINC000595512467 552576050 /nfs/dbraw/zinc/57/60/50/552576050.db2.gz OGNIPGGJLSHPMQ-CYBMUJFWSA-N 1 2 365.415 1.008 20 5 FDBDLO O=C(C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595608508 552592102 /nfs/dbraw/zinc/59/21/02/552592102.db2.gz RRCOTIMQYOQYBA-LLVKDONJSA-N 1 2 364.793 1.800 20 5 FDBDLO O=C(C[N@H+]1CC[C@@H](Cn2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595608508 552592103 /nfs/dbraw/zinc/59/21/03/552592103.db2.gz RRCOTIMQYOQYBA-LLVKDONJSA-N 1 2 364.793 1.800 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595738474 552609028 /nfs/dbraw/zinc/60/90/28/552609028.db2.gz IXLNEXOOXDQNGJ-WCQYABFASA-N 1 2 362.386 1.142 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595738474 552609029 /nfs/dbraw/zinc/60/90/29/552609029.db2.gz IXLNEXOOXDQNGJ-WCQYABFASA-N 1 2 362.386 1.142 20 5 FDBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595743884 552609913 /nfs/dbraw/zinc/60/99/13/552609913.db2.gz RZUOVZHVZSFGKD-YPMHNXCESA-N 1 2 362.386 1.142 20 5 FDBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595743884 552609914 /nfs/dbraw/zinc/60/99/14/552609914.db2.gz RZUOVZHVZSFGKD-YPMHNXCESA-N 1 2 362.386 1.142 20 5 FDBDLO COC(=O)[C@](C)(CCF)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595776086 552613859 /nfs/dbraw/zinc/61/38/59/552613859.db2.gz OZKQULNREHVDDH-INIZCTEOSA-N 1 2 369.349 1.774 20 5 FDBDLO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCc1cn(C)c[nH+]1 ZINC000596265472 552669549 /nfs/dbraw/zinc/66/95/49/552669549.db2.gz UTBFWXKWGJYQPD-UHFFFAOYSA-N 1 2 367.431 1.671 20 5 FDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596514935 552685420 /nfs/dbraw/zinc/68/54/20/552685420.db2.gz LKNSAXJMUBTUDR-IBGZPJMESA-N 1 2 372.425 1.974 20 5 FDBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596514935 552685422 /nfs/dbraw/zinc/68/54/22/552685422.db2.gz LKNSAXJMUBTUDR-IBGZPJMESA-N 1 2 372.425 1.974 20 5 FDBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091647 552745704 /nfs/dbraw/zinc/74/57/04/552745704.db2.gz BBRUIWDTPIRVEK-SNVBAGLBSA-N 1 2 370.841 1.588 20 5 FDBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095488 552746138 /nfs/dbraw/zinc/74/61/38/552746138.db2.gz XCEGVEIPVKDELH-SECBINFHSA-N 1 2 357.798 1.673 20 5 FDBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000598000518 552855600 /nfs/dbraw/zinc/85/56/00/552855600.db2.gz VKWJZGWRLGEFIG-RYUDHWBXSA-N 1 2 374.397 1.688 20 5 FDBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)CO1 ZINC000598000518 552855602 /nfs/dbraw/zinc/85/56/02/552855602.db2.gz VKWJZGWRLGEFIG-RYUDHWBXSA-N 1 2 374.397 1.688 20 5 FDBDLO COC(=O)c1ccnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598623102 552916959 /nfs/dbraw/zinc/91/69/59/552916959.db2.gz VCPPOKRVDUGANF-TXEJJXNPSA-N 1 2 352.391 1.322 20 5 FDBDLO 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Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000599205659 552984906 /nfs/dbraw/zinc/98/49/06/552984906.db2.gz YDCMLLZVQBZKET-LLVKDONJSA-N 1 2 369.403 1.037 20 5 FDBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000599205660 552985159 /nfs/dbraw/zinc/98/51/59/552985159.db2.gz YDCMLLZVQBZKET-NSHDSACASA-N 1 2 369.403 1.037 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000599332751 553030101 /nfs/dbraw/zinc/03/01/01/553030101.db2.gz VRYWYJWWCBBHRZ-UHFFFAOYSA-N 1 2 363.414 1.548 20 5 FDBDLO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH+](Cc4cn[nH]c4)CC3)n2)c1 ZINC000599440810 553057804 /nfs/dbraw/zinc/05/78/04/553057804.db2.gz RDCGMFDTTIYRFU-UHFFFAOYSA-N 1 2 369.385 1.686 20 5 FDBDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000599642432 553111048 /nfs/dbraw/zinc/11/10/48/553111048.db2.gz TWSILNOZZJENIH-OAHLLOKOSA-N 1 2 357.370 1.890 20 5 FDBDLO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1)c1ccc([N+](=O)[O-])cc1 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COC(=O)[C@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000600532687 553281379 /nfs/dbraw/zinc/28/13/79/553281379.db2.gz CZXIBBMRNGKWKZ-KPZWWZAWSA-N 1 2 372.381 1.558 20 5 FDBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424601 553402402 /nfs/dbraw/zinc/40/24/02/553402402.db2.gz NJDUFYRXHWMCLY-OAHLLOKOSA-N 1 2 369.443 1.389 20 5 FDBDLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601623866 553447367 /nfs/dbraw/zinc/44/73/67/553447367.db2.gz DRWLOIFYWGNCRZ-UHFFFAOYSA-N 1 2 367.377 1.345 20 5 FDBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602846498 553650117 /nfs/dbraw/zinc/65/01/17/553650117.db2.gz OTWYOEJTJLATEA-MRXNPFEDSA-N 1 2 357.414 1.663 20 5 FDBDLO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602846498 553650119 /nfs/dbraw/zinc/65/01/19/553650119.db2.gz OTWYOEJTJLATEA-MRXNPFEDSA-N 1 2 357.414 1.663 20 5 FDBDLO CCOc1cc(Cn2cc(CC[NH+]3CCOCC3)nn2)ccc1[N+](=O)[O-] ZINC000603234948 553738136 /nfs/dbraw/zinc/73/81/36/553738136.db2.gz FYQPFKZMMKVBEF-UHFFFAOYSA-N 1 2 361.402 1.508 20 5 FDBDLO Cn1cccc1C(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000603849797 553820764 /nfs/dbraw/zinc/82/07/64/553820764.db2.gz MSIXTFDWWMJFSX-UHFFFAOYSA-N 1 2 358.398 1.770 20 5 FDBDLO COCC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000603882508 553823695 /nfs/dbraw/zinc/82/36/95/553823695.db2.gz SMFKHLLFDCBGSE-LBPRGKRZSA-N 1 2 364.402 1.149 20 5 FDBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604094795 553841175 /nfs/dbraw/zinc/84/11/75/553841175.db2.gz LRYZTWAXLGXWMS-UHFFFAOYSA-N 1 2 357.370 1.563 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000609193302 554347795 /nfs/dbraw/zinc/34/77/95/554347795.db2.gz YPYLTGRBAGINKM-AWEZNQCLSA-N 1 2 371.459 1.896 20 5 FDBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000609193302 554347796 /nfs/dbraw/zinc/34/77/96/554347796.db2.gz YPYLTGRBAGINKM-AWEZNQCLSA-N 1 2 371.459 1.896 20 5 FDBDLO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000611012335 554593553 /nfs/dbraw/zinc/59/35/53/554593553.db2.gz NXJAMWMQYOGURZ-CYBMUJFWSA-N 1 2 356.386 1.098 20 5 FDBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CC1(O)CCS(=O)(=O)CC1)C1CC1 ZINC000611244061 554619121 /nfs/dbraw/zinc/61/91/21/554619121.db2.gz FXTOYKGQYUVJDD-UHFFFAOYSA-N 1 2 354.428 1.499 20 5 FDBDLO O=[N+]([O-])c1ccccc1C[N@H+](CC1(O)CCS(=O)(=O)CC1)C1CC1 ZINC000611244061 554619122 /nfs/dbraw/zinc/61/91/22/554619122.db2.gz FXTOYKGQYUVJDD-UHFFFAOYSA-N 1 2 354.428 1.499 20 5 FDBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1Cc2ccccc2C1 ZINC000611747226 554674654 /nfs/dbraw/zinc/67/46/54/554674654.db2.gz PSMYFQGJHDQXLL-UHFFFAOYSA-N 1 2 362.411 1.670 20 5 FDBDLO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nc1 ZINC000612785003 554840240 /nfs/dbraw/zinc/84/02/40/554840240.db2.gz CLQCOTUCDHPSPA-OAHLLOKOSA-N 1 2 363.805 1.894 20 5 FDBDLO CN(C)c1c[nH+]ccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000614050580 555002329 /nfs/dbraw/zinc/00/23/29/555002329.db2.gz OJMVEGCMSIPVGR-UHFFFAOYSA-N 1 2 357.370 1.236 20 5 FDBDLO Cc1nc(C[NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)oc1C ZINC000614723933 555102025 /nfs/dbraw/zinc/10/20/25/555102025.db2.gz TXSRUHPWCBKAFV-UHFFFAOYSA-N 1 2 361.402 1.596 20 5 FDBDLO C[N@@H+]1CCO[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821628751 599506167 /nfs/dbraw/zinc/50/61/67/599506167.db2.gz PGTGZFXJSOWKKC-LLVKDONJSA-N 1 2 370.373 1.066 20 5 FDBDLO C[N@H+]1CCO[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821628751 599506169 /nfs/dbraw/zinc/50/61/69/599506169.db2.gz PGTGZFXJSOWKKC-LLVKDONJSA-N 1 2 370.373 1.066 20 5 FDBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(-c2nn[nH]n2)c1 ZINC000826498986 607811095 /nfs/dbraw/zinc/81/10/95/607811095.db2.gz QYLVNZCLXZYDMJ-NSHDSACASA-N 1 2 352.358 1.861 20 5 FDBDLO C[C@H](O)C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000275377907 674621719 /nfs/dbraw/zinc/62/17/19/674621719.db2.gz ONUZAFKTEMAIOS-ZJUUUORDSA-N 1 2 359.224 1.644 20 5 FDBDLO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000275377907 674621723 /nfs/dbraw/zinc/62/17/23/674621723.db2.gz ONUZAFKTEMAIOS-ZJUUUORDSA-N 1 2 359.224 1.644 20 5 FDBDLO CCOC(=O)[C@H](C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276369760 674728056 /nfs/dbraw/zinc/72/80/56/674728056.db2.gz NFCOFPWKNHQVGR-JSGCOSHPSA-N 1 2 352.387 1.751 20 5 FDBDLO CCOC(=O)[C@H](C)[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276369760 674728059 /nfs/dbraw/zinc/72/80/59/674728059.db2.gz NFCOFPWKNHQVGR-JSGCOSHPSA-N 1 2 352.387 1.751 20 5 FDBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000277677682 674998153 /nfs/dbraw/zinc/99/81/53/674998153.db2.gz YIRVVYAKYKULNI-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO COCCCNC(=O)C1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000127758353 671771871 /nfs/dbraw/zinc/77/18/71/671771871.db2.gz PMGAQXNIIFRONX-UHFFFAOYSA-N 1 2 353.423 1.230 20 5 FDBDLO CC(C)OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265886008 673009242 /nfs/dbraw/zinc/00/92/42/673009242.db2.gz PPWRXITUOPQSLX-INIZCTEOSA-N 1 2 351.403 1.139 20 5 FDBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267594090 673315329 /nfs/dbraw/zinc/31/53/29/673315329.db2.gz NVSKUFFAIBLREO-CQSZACIVSA-N 1 2 352.391 1.060 20 5 FDBDLO Cc1c(Cl)cc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000289588076 676155855 /nfs/dbraw/zinc/15/58/55/676155855.db2.gz PNCMDASNOORHSU-UHFFFAOYSA-N 1 2 356.791 1.958 20 5 FDBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000289733472 676172580 /nfs/dbraw/zinc/17/25/80/676172580.db2.gz JEKBHMFCLQPQBE-IUODEOHRSA-N 1 2 350.375 1.798 20 5 FDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278819226 675202278 /nfs/dbraw/zinc/20/22/78/675202278.db2.gz HHLXZMYLCGTEMS-QFYYESIMSA-N 1 2 366.805 1.787 20 5 FDBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278819226 675202280 /nfs/dbraw/zinc/20/22/80/675202280.db2.gz HHLXZMYLCGTEMS-QFYYESIMSA-N 1 2 366.805 1.787 20 5 FDBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000280888808 675467416 /nfs/dbraw/zinc/46/74/16/675467416.db2.gz CXHNIRFATJXYLD-AWEZNQCLSA-N 1 2 351.403 1.509 20 5 FDBDLO Cn1c(Cl)cnc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281458537 675521123 /nfs/dbraw/zinc/52/11/23/675521123.db2.gz AUTRTDGIPSDJPK-UHFFFAOYSA-N 1 2 358.807 1.545 20 5 FDBDLO C[N@@H+]1CCC[C@]2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292800488 676315664 /nfs/dbraw/zinc/31/56/64/676315664.db2.gz NEWSNLHRSKFOFS-AWEZNQCLSA-N 1 2 359.473 1.982 20 5 FDBDLO C[N@H+]1CCC[C@]2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000292800488 676315666 /nfs/dbraw/zinc/31/56/66/676315666.db2.gz NEWSNLHRSKFOFS-AWEZNQCLSA-N 1 2 359.473 1.982 20 5 FDBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000295466040 676406203 /nfs/dbraw/zinc/40/62/03/676406203.db2.gz MDGGGPOICAYYON-ZWNOBZJWSA-N 1 2 354.313 1.915 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000325948310 676579547 /nfs/dbraw/zinc/57/95/47/676579547.db2.gz KEORZWXLYIXLAT-LBPRGKRZSA-N 1 2 352.734 1.485 20 5 FDBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000325948310 676579548 /nfs/dbraw/zinc/57/95/48/676579548.db2.gz KEORZWXLYIXLAT-LBPRGKRZSA-N 1 2 352.734 1.485 20 5 FDBDLO O=C(C[NH+]1CCC(O)(C(F)F)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000332279137 676738766 /nfs/dbraw/zinc/73/87/66/676738766.db2.gz QZRASTXNDPDZOF-UHFFFAOYSA-N 1 2 355.341 1.576 20 5 FDBDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000365016152 677343968 /nfs/dbraw/zinc/34/39/68/677343968.db2.gz IAHZVZXLRMLFQK-CVEARBPZSA-N 1 2 369.443 1.123 20 5 FDBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366426241 677442929 /nfs/dbraw/zinc/44/29/29/677442929.db2.gz YRDYMFFNUZBZRD-GOEBONIOSA-N 1 2 356.444 1.917 20 5 FDBDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366426241 677442930 /nfs/dbraw/zinc/44/29/30/677442930.db2.gz YRDYMFFNUZBZRD-GOEBONIOSA-N 1 2 356.444 1.917 20 5 FDBDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000375930471 678198063 /nfs/dbraw/zinc/19/80/63/678198063.db2.gz GGJJXKWCQPUXBY-GFCCVEGCSA-N 1 2 350.400 1.897 20 5 FDBDLO C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1c[nH+]ccc1N ZINC000422976625 680769551 /nfs/dbraw/zinc/76/95/51/680769551.db2.gz DISOOLUWTCSWBU-LLVKDONJSA-N 1 2 365.415 1.031 20 5 FDBDLO CC[C@H](C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)OC ZINC000419190408 680213480 /nfs/dbraw/zinc/21/34/80/680213480.db2.gz IDAGLYUUGYWEPE-CQSZACIVSA-N 1 2 357.432 1.326 20 5 FDBDLO CC[C@@H](C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1)OC ZINC000419201698 680216967 /nfs/dbraw/zinc/21/69/67/680216967.db2.gz NACFUJADSNVEEJ-HNNXBMFYSA-N 1 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C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449900838 682721746 /nfs/dbraw/zinc/72/17/46/682721746.db2.gz KSUHZFTZKKGIQJ-GNDHETMUSA-N 1 2 362.411 1.762 20 5 FDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451661169 682916632 /nfs/dbraw/zinc/91/66/32/682916632.db2.gz SAPMLODKSGHBAP-GJZGRUSLSA-N 1 2 372.443 1.234 20 5 FDBDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451661169 682916633 /nfs/dbraw/zinc/91/66/33/682916633.db2.gz SAPMLODKSGHBAP-GJZGRUSLSA-N 1 2 372.443 1.234 20 5 FDBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC(F)(F)C1 ZINC000451803696 682942228 /nfs/dbraw/zinc/94/22/28/682942228.db2.gz RYBOSFGVUVXXPI-UHFFFAOYSA-N 1 2 352.297 1.888 20 5 FDBDLO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000455096685 683395807 /nfs/dbraw/zinc/39/58/07/683395807.db2.gz HSQINRVAYKNWIP-ZDUSSCGKSA-N 1 2 350.375 1.588 20 5 FDBDLO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000455096685 683395815 /nfs/dbraw/zinc/39/58/15/683395815.db2.gz HSQINRVAYKNWIP-ZDUSSCGKSA-N 1 2 350.375 1.588 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000475879559 685657018 /nfs/dbraw/zinc/65/70/18/685657018.db2.gz FZQGTDLVKUBWDY-ZDUSSCGKSA-N 1 2 365.459 1.895 20 5 FDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000475879559 685657024 /nfs/dbraw/zinc/65/70/24/685657024.db2.gz FZQGTDLVKUBWDY-ZDUSSCGKSA-N 1 2 365.459 1.895 20 5 FDBDLO COc1c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000477150661 685822319 /nfs/dbraw/zinc/82/23/19/685822319.db2.gz JKTJWFNYBIAYOR-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO COc1c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000477150661 685822323 /nfs/dbraw/zinc/82/23/23/685822323.db2.gz JKTJWFNYBIAYOR-UHFFFAOYSA-N 1 2 351.403 1.786 20 5 FDBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000497033307 687660495 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