smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)Nc2cc3c(cc2N(C)C)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000408535931 231054071 /nfs/dbraw/zinc/05/40/71/231054071.db2.gz USVDNYFKTJTCPL-UHFFFAOYSA-N 0 0 383.408 2.412 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Cc1cc(=O)oc2cc(O)ccc12 ZINC000006488236 204179535 /nfs/dbraw/zinc/17/95/35/204179535.db2.gz ZJCNOBLJMMWFRC-UHFFFAOYSA-N 0 0 382.328 2.466 40 5 GEBBRN Cc1ccc(C)c(-n2ccc3nc4ccn(-c5nc[nH]n5)c(=O)c4cc3c2=O)c1 ZINC000040398742 205063877 /nfs/dbraw/zinc/06/38/77/205063877.db2.gz OHHHRXFVYUFACF-UHFFFAOYSA-N 0 0 384.399 2.425 40 5 GEBBRN CCCn1ccc2nc3ccn(-c4nc(SCC)n[nH]4)c(=O)c3cc2c1=O ZINC000040398900 205064060 /nfs/dbraw/zinc/06/40/60/205064060.db2.gz WYSSVFHQTBESGY-UHFFFAOYSA-N 0 0 382.449 2.341 40 5 GEBBRN Cc1nnc(-n2ccc3nc4ccn(-c5cccc(C)c5)c(=O)c4cc3c2=O)[nH]1 ZINC000040398586 205064197 /nfs/dbraw/zinc/06/41/97/205064197.db2.gz KJDYSXFFWWLTOA-UHFFFAOYSA-N 0 0 384.399 2.425 40 5 GEBBRN CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000067800552 205261046 /nfs/dbraw/zinc/26/10/46/205261046.db2.gz DTJRSCIKZFCGTF-UHFFFAOYSA-N 0 0 385.442 2.273 40 5 GEBBRN COc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220401093 205970050 /nfs/dbraw/zinc/97/00/50/205970050.db2.gz RRGWVIBZNJQGBT-LBPRGKRZSA-N 0 0 393.421 2.397 40 5 GEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224865550 206028405 /nfs/dbraw/zinc/02/84/05/206028405.db2.gz CJGRXWMFMKQXDT-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224865162 206029035 /nfs/dbraw/zinc/02/90/35/206029035.db2.gz REHGMBMYEPVBCZ-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225074211 206036130 /nfs/dbraw/zinc/03/61/30/206036130.db2.gz XMCBTWWWYWHQDY-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN COC(=O)CN(c1ccc([N+](=O)[O-])cc1Oc1ccccc1)S(C)(=O)=O ZINC000004784649 206214866 /nfs/dbraw/zinc/21/48/66/206214866.db2.gz NEKNANDUWNLQKL-UHFFFAOYSA-N 0 0 380.378 2.326 40 5 GEBBRN CN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000005319572 206216372 /nfs/dbraw/zinc/21/63/72/206216372.db2.gz PMCUHGMMGKYEEE-MRVPVSSYSA-N 0 0 383.304 2.145 40 5 GEBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409244310 534168352 /nfs/dbraw/zinc/16/83/52/534168352.db2.gz AYLXLFHWWFAARS-XNTDXEJSSA-N 0 0 396.359 2.135 40 5 GEBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000007389618 534189325 /nfs/dbraw/zinc/18/93/25/534189325.db2.gz PSRIVYOVDIITCH-UHFFFAOYSA-N 0 0 385.376 2.470 40 5 GEBBRN CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000408629156 526638128 /nfs/dbraw/zinc/63/81/28/526638128.db2.gz MUYCCJUONUKFIH-UHFFFAOYSA-N 0 0 398.419 2.281 40 5 GEBBRN O=C1CCCN1Cc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000119963744 570313831 /nfs/dbraw/zinc/31/38/31/570313831.db2.gz RMSJCDHKAJRNKG-UHFFFAOYSA-N 0 0 389.433 2.196 40 5 GEBBRN Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 ZINC000005018004 570657625 /nfs/dbraw/zinc/65/76/25/570657625.db2.gz OCMBEJJTVGBDKH-AWEZNQCLSA-N 0 0 377.426 2.405 40 5 GEBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000214766276 570903675 /nfs/dbraw/zinc/90/36/75/570903675.db2.gz JOMBTIZBEUEEFC-MHWRWJLKSA-N 0 0 380.360 2.435 40 5 GEBBRN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000015358925 570927121 /nfs/dbraw/zinc/92/71/21/570927121.db2.gz HPLUTOYZLYBBMS-NSHDSACASA-N 0 0 384.435 2.038 40 5 GEBBRN CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)nc1NCCCOCC ZINC000019529393 570928693 /nfs/dbraw/zinc/92/86/93/570928693.db2.gz PAUNRJIKAVXMNM-UHFFFAOYSA-N 0 0 383.452 2.139 40 5 GEBBRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000223292540 571001731 /nfs/dbraw/zinc/00/17/31/571001731.db2.gz OSZDTDZDIBMXAV-DHZHZOJOSA-N 0 0 375.406 2.463 40 5 GEBBRN Cc1cccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220418356 571046585 /nfs/dbraw/zinc/04/65/85/571046585.db2.gz CGFRDZHKDFSFCB-CQSZACIVSA-N 0 0 391.449 2.374 40 5 GEBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 ZINC000408975767 231140382 /nfs/dbraw/zinc/14/03/82/231140382.db2.gz MZOXRDSHZMDCIX-UHFFFAOYSA-N 0 0 389.327 2.438 40 5 GEBBRN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)nc1NC1CCCC1 ZINC000004520307 204049266 /nfs/dbraw/zinc/04/92/66/204049266.db2.gz AWQUNRXROCVLHN-UHFFFAOYSA-N 0 0 395.463 2.364 40 5 GEBBRN Cc1nnc(-n2ccc3nc4ccn(-c5ccc(C)cc5)c(=O)c4cc3c2=O)[nH]1 ZINC000040398585 205063634 /nfs/dbraw/zinc/06/36/34/205063634.db2.gz UBDIGLWCQCSSHX-UHFFFAOYSA-N 0 0 384.399 2.425 40 5 GEBBRN COc1cccc(-n2ccc3nc4ccn(-c5cc[nH]n5)c(=O)c4cc3c2=O)c1 ZINC000040399082 205064401 /nfs/dbraw/zinc/06/44/01/205064401.db2.gz SONLUMLLOUKLEG-UHFFFAOYSA-N 0 0 385.383 2.422 40 5 GEBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000054991873 205141038 /nfs/dbraw/zinc/14/10/38/205141038.db2.gz ITGRDWINOVHPEM-PMPSAXMXSA-N 0 0 377.466 2.113 40 5 GEBBRN CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057119766 205155604 /nfs/dbraw/zinc/15/56/04/205155604.db2.gz AGYBKXXFQSJXEQ-UHFFFAOYSA-N 0 0 382.369 2.492 40 5 GEBBRN O=C1CCCN1Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000119963255 205684081 /nfs/dbraw/zinc/68/40/81/205684081.db2.gz PKEUZRNPAMQQGX-UHFFFAOYSA-N 0 0 389.433 2.196 40 5 GEBBRN CCOC(=O)C1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103628681 205816811 /nfs/dbraw/zinc/81/68/11/205816811.db2.gz SNYUSMBJIXGQOA-URLQWDBASA-N 0 0 393.392 2.388 40 5 GEBBRN C[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419778 205971043 /nfs/dbraw/zinc/97/10/43/205971043.db2.gz ZYAUSWVNAQKUJV-LBPRGKRZSA-N 0 0 395.412 2.205 40 5 GEBBRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000223672194 206003939 /nfs/dbraw/zinc/00/39/39/206003939.db2.gz SBAAPJAJUTUGDU-UHFFFAOYSA-N 0 0 390.826 2.453 40 5 GEBBRN COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC ZINC000408569381 533147063 /nfs/dbraw/zinc/14/70/63/533147063.db2.gz WHNJHKXDMSKSMI-GMVOTWDCSA-N 0 0 383.404 2.226 40 5 GEBBRN COc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000409025880 533602295 /nfs/dbraw/zinc/60/22/95/533602295.db2.gz ZKDUYRNYIXEXCB-UHFFFAOYSA-N 0 0 379.394 2.008 40 5 GEBBRN COc1cc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000146184489 136193001 /nfs/dbraw/zinc/19/30/01/136193001.db2.gz FSSCDZRCPYEANQ-UHFFFAOYSA-N 0 0 387.392 2.458 40 5 GEBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O ZINC000408918969 528807399 /nfs/dbraw/zinc/80/73/99/528807399.db2.gz RGRNHOHEMFALIB-AWNIVKPZSA-N 0 0 396.377 2.211 40 5 GEBBRN COc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408626922 570387824 /nfs/dbraw/zinc/38/78/24/570387824.db2.gz JLHOCZDGRFUOPH-UHFFFAOYSA-N 0 0 376.394 2.243 40 5 GEBBRN CCOc1ccc(N2C(=O)[C@H]3ON(C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000100612483 570413198 /nfs/dbraw/zinc/41/31/98/570413198.db2.gz YPFJVMLESHRTRP-BZSNNMDCSA-N 0 0 397.387 2.470 40 5 GEBBRN COc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016576972 570447443 /nfs/dbraw/zinc/44/74/43/570447443.db2.gz DKXSHLFCACZDJP-LBPRGKRZSA-N 0 0 394.405 2.186 40 5 GEBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000169296250 570476500 /nfs/dbraw/zinc/47/65/00/570476500.db2.gz ITGRDWINOVHPEM-XHSDSOJGSA-N 0 0 377.466 2.113 40 5 GEBBRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000033752180 570647306 /nfs/dbraw/zinc/64/73/06/570647306.db2.gz LISMIQJZKWUMST-GFCCVEGCSA-N 0 0 393.421 2.217 40 5 GEBBRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000138641054 570654303 /nfs/dbraw/zinc/65/43/03/570654303.db2.gz YBVCKNKLTNHXEY-UHFFFAOYSA-N 0 0 392.393 2.290 40 5 GEBBRN Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 ZINC000005018006 570657572 /nfs/dbraw/zinc/65/75/72/570657572.db2.gz OCMBEJJTVGBDKH-CQSZACIVSA-N 0 0 377.426 2.405 40 5 GEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000222335174 570724729 /nfs/dbraw/zinc/72/47/29/570724729.db2.gz REEIIVVVKAFBGV-ARFHVFGLSA-N 0 0 377.466 2.113 40 5 GEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000139094075 570819892 /nfs/dbraw/zinc/81/98/92/570819892.db2.gz VPZRFQQQEJCSJX-UHFFFAOYSA-N 0 0 375.293 2.307 40 5 GEBBRN COc1ccc([C@@]2(O)CC(C)=NN2C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408563922 231064575 /nfs/dbraw/zinc/06/45/75/231064575.db2.gz SFAWOSFJSIXRHJ-IBGZPJMESA-N 0 0 385.376 2.436 40 5 GEBBRN COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408636949 231090268 /nfs/dbraw/zinc/09/02/68/231090268.db2.gz DHBCGBTYWHRDTO-CQSZACIVSA-N 0 0 398.371 2.382 40 5 GEBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@H]1CCS(=O)(=O)C1 ZINC000005740715 531519602 /nfs/dbraw/zinc/51/96/02/531519602.db2.gz PCZRKHWFEVXXAW-ZETCQYMHSA-N 0 0 383.304 2.368 40 5 GEBBRN Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2Cc1ccccc1 ZINC000037868617 205032415 /nfs/dbraw/zinc/03/24/15/205032415.db2.gz KHTLNGFUSVKKLF-UHFFFAOYSA-N 0 0 382.409 2.250 40 5 in-vitro GEBBRN CCCCn1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O ZINC000040398854 205064165 /nfs/dbraw/zinc/06/41/65/205064165.db2.gz PUINWEBEMZGJAH-UHFFFAOYSA-N 0 0 382.449 2.341 40 5 GEBBRN CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000049983442 205130043 /nfs/dbraw/zinc/13/00/43/205130043.db2.gz IKBGJVQIHZGXTH-UHFFFAOYSA-N 0 0 385.442 2.273 40 5 GEBBRN O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 ZINC000070461846 205278065 /nfs/dbraw/zinc/27/80/65/205278065.db2.gz OPASHESXSAEZBY-UHFFFAOYSA-N 0 0 396.382 2.277 40 5 GEBBRN Cc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220034487 205966506 /nfs/dbraw/zinc/96/65/06/205966506.db2.gz GHSTYGHUZRKKHL-UHFFFAOYSA-N 0 0 391.449 2.294 40 5 GEBBRN Cc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220026468 205966648 /nfs/dbraw/zinc/96/66/48/205966648.db2.gz ZSXLFPUVKOBNLZ-UHFFFAOYSA-N 0 0 391.449 2.294 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224838487 206028915 /nfs/dbraw/zinc/02/89/15/206028915.db2.gz LERBYIJGCATWGI-UHFFFAOYSA-N 0 0 380.378 2.200 40 5 GEBBRN COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225073856 206036280 /nfs/dbraw/zinc/03/62/80/206036280.db2.gz IBPGXUIHFWNSSM-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225084190 206036376 /nfs/dbraw/zinc/03/63/76/206036376.db2.gz UAEQTXJKFNRWBU-UHFFFAOYSA-N 0 0 382.369 2.411 40 5 GEBBRN COc1cc2c(cc1/C=C1/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)OCO2 ZINC000409070017 533152028 /nfs/dbraw/zinc/15/20/28/533152028.db2.gz MQKIWLIBPRATGV-MKMNVTDBSA-N 0 0 397.343 2.425 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000409132694 533224423 /nfs/dbraw/zinc/22/44/23/533224423.db2.gz QWBMBOYWJCFIGL-UHFFFAOYSA-N 0 0 379.394 2.008 40 5 GEBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103933628 533447426 /nfs/dbraw/zinc/44/74/26/533447426.db2.gz ZEVOCIINEWVWRN-UHFFFAOYSA-N 0 0 392.280 2.437 40 5 GEBBRN COc1ccccc1N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000133881075 136192913 /nfs/dbraw/zinc/19/29/13/136192913.db2.gz QPOQJFRFXDIFFA-UHFFFAOYSA-N 0 0 391.449 2.255 40 5 GEBBRN CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000409113776 528384971 /nfs/dbraw/zinc/38/49/71/528384971.db2.gz NVPFTDXJAXNDRX-UHFFFAOYSA-N 0 0 377.422 2.316 40 5 GEBBRN Cc1c(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cccc1[N+](=O)[O-] ZINC000013647422 570664723 /nfs/dbraw/zinc/66/47/23/570664723.db2.gz XUNJYPONKAGQOU-UHFFFAOYSA-N 0 0 389.433 2.356 40 5 GEBBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000010542624 230875362 /nfs/dbraw/zinc/87/53/62/230875362.db2.gz UDYXIBUDUVOZAM-UHFFFAOYSA-N 0 0 375.406 2.048 40 5 GEBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O ZINC000408689199 231095072 /nfs/dbraw/zinc/09/50/72/231095072.db2.gz XUESKGSWGMCDQH-UHFFFAOYSA-N 0 0 398.331 2.209 40 5 GEBBRN NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000409057040 231152574 /nfs/dbraw/zinc/15/25/74/231152574.db2.gz OOWNQHUIEOCTQW-UHFFFAOYSA-N 0 0 396.403 2.185 40 5 GEBBRN O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 ZINC000070461847 205278767 /nfs/dbraw/zinc/27/87/67/205278767.db2.gz GABXYWKKFUJJPF-UHFFFAOYSA-N 0 0 378.392 2.138 40 5 GEBBRN O=C1CCCN1Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000193988837 205915082 /nfs/dbraw/zinc/91/50/82/205915082.db2.gz WJLQWAXGZCTJGH-UHFFFAOYSA-N 0 0 389.433 2.196 40 5 GEBBRN CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225021814 206033751 /nfs/dbraw/zinc/03/37/51/206033751.db2.gz SHMUJSKSUJQDJZ-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN CS(=O)(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3ccccc3F)CC2)c1 ZINC000016789940 136202136 /nfs/dbraw/zinc/20/21/36/136202136.db2.gz GHOHKEMRFZDRAE-UHFFFAOYSA-N 0 0 379.413 2.464 40 5 GEBBRN O=C(NC(=S)NC1=NCCS1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408619709 534781722 /nfs/dbraw/zinc/78/17/22/534781722.db2.gz GZOTUJKWKPGHHO-UHFFFAOYSA-N 0 0 393.494 2.292 40 5 GEBBRN CCCN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O ZINC000408530207 528175685 /nfs/dbraw/zinc/17/56/85/528175685.db2.gz JPWLCXLTNOYZIO-QPEQYQDCSA-N 0 0 376.394 2.232 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)C1CCCCC1)S(C)(=O)=O ZINC000020039128 570237053 /nfs/dbraw/zinc/23/70/53/570237053.db2.gz HZJWQXGLNOXJLR-UHFFFAOYSA-N 0 0 399.469 2.161 40 5 GEBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nncn1-c1cccnc1 ZINC000006136382 570276298 /nfs/dbraw/zinc/27/62/98/570276298.db2.gz XIFZNEUFBOBFKV-UHFFFAOYSA-N 0 0 386.393 2.310 40 5 GEBBRN Nc1cc(=O)[nH]c(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000016383347 570376371 /nfs/dbraw/zinc/37/63/71/570376371.db2.gz BLOJTZSVWOHMJF-UHFFFAOYSA-N 0 0 377.260 2.339 40 5 GEBBRN CCOC(=O)CNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000005003934 570393374 /nfs/dbraw/zinc/39/33/74/570393374.db2.gz SUJVEOLTSVUREJ-SFQUDFHCSA-N 0 0 397.387 2.045 40 5 GEBBRN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2cc2c(=O)n(C)c(=O)nc1-2 ZINC000059497840 570659167 /nfs/dbraw/zinc/65/91/67/570659167.db2.gz NTWFHIOPYPHCCZ-UHFFFAOYSA-N 0 0 378.344 2.106 40 5 GEBBRN CC(=O)Oc1c(/C=c2\sc3nc4ccccc4n3c2=O)cccc1[N+](=O)[O-] ZINC000006949903 570714672 /nfs/dbraw/zinc/71/46/72/570714672.db2.gz WJKYILVYEAGWRQ-DHDCSXOGSA-N 0 0 381.369 2.290 40 5 GEBBRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000007389179 570835064 /nfs/dbraw/zinc/83/50/64/570835064.db2.gz NKENCJQNLLUTES-UHFFFAOYSA-N 0 0 385.376 2.470 40 5 GEBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(F)cc1 ZINC000102701584 570857283 /nfs/dbraw/zinc/85/72/83/570857283.db2.gz KHSDFBUCFIUFGJ-KZNAEPCWSA-N 0 0 396.378 2.270 40 5 GEBBRN COc1cccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220168493 570903366 /nfs/dbraw/zinc/90/33/66/570903366.db2.gz LVIXLXINPPDUMK-LBPRGKRZSA-N 0 0 393.421 2.397 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1C ZINC000223339028 571045797 /nfs/dbraw/zinc/04/57/97/571045797.db2.gz IJOCSHOBPKEVLN-UHFFFAOYSA-N 0 0 377.378 2.457 40 5 GEBBRN Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000408552717 231058118 /nfs/dbraw/zinc/05/81/18/231058118.db2.gz NBRMBBCZNOAFJD-NSHDSACASA-N 0 0 381.385 2.348 40 5 GEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000408661744 231092086 /nfs/dbraw/zinc/09/20/86/231092086.db2.gz CHKXYMRSPGETSC-UHFFFAOYSA-N 0 0 375.293 2.307 40 5 GEBBRN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000408728773 231106933 /nfs/dbraw/zinc/10/69/33/231106933.db2.gz TYQRNUPRNJPQFE-FJJYHAOUSA-N 0 0 379.166 2.190 40 5 GEBBRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408593360 529895377 /nfs/dbraw/zinc/89/53/77/529895377.db2.gz MMFHUVBVOQOMNG-GFCCVEGCSA-N 0 0 393.421 2.217 40 5 GEBBRN CN(Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(C)(=O)=O ZINC000408705296 529989709 /nfs/dbraw/zinc/98/97/09/529989709.db2.gz BQUAAQMLZCDCAH-UHFFFAOYSA-N 0 0 393.421 2.004 40 5 GEBBRN O=C1N[C@@H](c2ccc([N+](=O)[O-])o2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000005445110 204132423 /nfs/dbraw/zinc/13/24/23/204132423.db2.gz ZTTWTEHYVSFHSW-TYNCELHUSA-N 0 0 399.281 2.292 40 5 GEBBRN COc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000020039738 204699592 /nfs/dbraw/zinc/69/95/92/204699592.db2.gz NPJVVLGGIDPPTN-UHFFFAOYSA-N 0 0 396.421 2.240 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000022230771 204776629 /nfs/dbraw/zinc/77/66/29/204776629.db2.gz DOZAIPVAESBIQN-UHFFFAOYSA-N 0 0 393.421 2.317 40 5 GEBBRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)O2 ZINC000038853970 205041346 /nfs/dbraw/zinc/04/13/46/205041346.db2.gz JZKUPIUPWQDLSL-MRXNPFEDSA-N 0 0 391.405 2.069 40 5 GEBBRN C[C@@H](CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000223775373 206006619 /nfs/dbraw/zinc/00/66/19/206006619.db2.gz FTGXQBHQMDVCJW-AWEZNQCLSA-N 0 0 391.449 2.281 40 5 GEBBRN CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000224598706 206023153 /nfs/dbraw/zinc/02/31/53/206023153.db2.gz BVJJYRQJKKOODF-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224769635 206028040 /nfs/dbraw/zinc/02/80/40/206028040.db2.gz SYHSXJMHKMTJCK-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN NC(=O)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000225563221 206056998 /nfs/dbraw/zinc/05/69/98/206056998.db2.gz PIGMGJRVZVTNGM-UHFFFAOYSA-N 0 0 399.403 2.146 40 5 GEBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccccc2)CC1=O ZINC000408649524 533137019 /nfs/dbraw/zinc/13/70/19/533137019.db2.gz LCWQHPOIJMEYCM-AWEZNQCLSA-N 0 0 398.371 2.382 40 5 GEBBRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000408547969 533501775 /nfs/dbraw/zinc/50/17/75/533501775.db2.gz BCLFUWVYSZFEOP-MDWZMJQESA-N 0 0 385.332 2.229 40 5 GEBBRN CC(C)(C)OC(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000098181665 534838748 /nfs/dbraw/zinc/83/87/48/534838748.db2.gz UBQXRTFPAXCMDF-UHFFFAOYSA-N 0 0 385.442 2.055 40 5 GEBBRN Cc1c(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220035326 570380601 /nfs/dbraw/zinc/38/06/01/570380601.db2.gz BQBPMFCFRKLZTB-UHFFFAOYSA-N 0 0 395.412 2.125 40 5 GEBBRN CCOC(=O)c1cnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc1N ZINC000024208863 570401157 /nfs/dbraw/zinc/40/11/57/570401157.db2.gz NFELIGMHVRLNJC-UHFFFAOYSA-N 0 0 395.372 2.014 40 5 GEBBRN CN1C(=O)N(C)C(=O)C(CCc2ccncc2)(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000005586574 570662072 /nfs/dbraw/zinc/66/20/72/570662072.db2.gz CIZZJKOVEZTSHZ-UHFFFAOYSA-N 0 0 396.403 2.202 40 5 GEBBRN CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000013671844 570667146 /nfs/dbraw/zinc/66/71/46/570667146.db2.gz BZNFHXKSXICOKH-UHFFFAOYSA-N 0 0 391.449 2.110 40 5 GEBBRN Cc1c(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220032463 570742945 /nfs/dbraw/zinc/74/29/45/570742945.db2.gz CAFQJFJQJVQXBA-UHFFFAOYSA-N 0 0 389.433 2.259 40 5 GEBBRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N[C@@H](C)CO)cc1OC ZINC000021981425 570776160 /nfs/dbraw/zinc/77/61/60/570776160.db2.gz ZISFCTXLAXIEMV-LBPRGKRZSA-N 0 0 389.408 2.335 40 5 in-vitro GEBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000205694124 570856934 /nfs/dbraw/zinc/85/69/34/570856934.db2.gz JYYLBBJRCLGSBK-MHWRWJLKSA-N 0 0 380.360 2.435 40 5 GEBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1CCCN1[C@H]2c1ccc(F)cc1 ZINC000102698148 570857298 /nfs/dbraw/zinc/85/72/98/570857298.db2.gz RAQYNQFIWWMULJ-FGTMMUONSA-N 0 0 396.378 2.270 40 5 GEBBRN COC(=O)c1cc([N+](=O)[O-])c(Sc2ncnc3[nH]cnc32)c([N+](=O)[O-])c1 ZINC000017061748 570925777 /nfs/dbraw/zinc/92/57/77/570925777.db2.gz ITLJNJSHGITVCL-UHFFFAOYSA-N 0 0 376.310 2.107 40 5 GEBBRN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000223308358 571002735 /nfs/dbraw/zinc/00/27/35/571002735.db2.gz KPNKAXNZTYQDMZ-UHFFFAOYSA-N 0 0 393.421 2.171 40 5 GEBBRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409021690 231147727 /nfs/dbraw/zinc/14/77/27/231147727.db2.gz TZGXKKMJIZJFQT-XNTDXEJSSA-N 0 0 380.360 2.435 40 5 GEBBRN C[C@@]1(CN2CCOCC2)COc2c(cc(Br)cc2[N+](=O)[O-])C1=O ZINC000019202387 531576823 /nfs/dbraw/zinc/57/68/23/531576823.db2.gz LJSFBXRLUVMUPV-OAHLLOKOSA-N 0 0 385.214 2.271 40 5 GEBBRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N[C@H](C)CO)cc1OC ZINC000003941820 204022370 /nfs/dbraw/zinc/02/23/70/204022370.db2.gz ZISFCTXLAXIEMV-GFCCVEGCSA-N 0 0 389.408 2.335 40 5 in-vitro GEBBRN O=[N+]([O-])c1ccc(COn2cccc/c2=N\S(=O)(=O)c2ccccc2)cc1 ZINC000005485248 204136761 /nfs/dbraw/zinc/13/67/61/204136761.db2.gz FXRFNVYWCNCONI-VHEBQXMUSA-N 0 0 385.401 2.315 40 5 GEBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006238391 204172801 /nfs/dbraw/zinc/17/28/01/204172801.db2.gz FPZJEDCVHVGLLX-UHFFFAOYSA-N 0 0 388.405 2.445 40 5 GEBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000006714748 204194092 /nfs/dbraw/zinc/19/40/92/204194092.db2.gz GWLMFFKAWVOXFP-UHFFFAOYSA-N 0 0 375.362 2.459 40 5 GEBBRN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000010008933 204329298 /nfs/dbraw/zinc/32/92/98/204329298.db2.gz OVGMDWDVTJTLPL-UHFFFAOYSA-N 0 0 393.421 2.462 40 5 GEBBRN O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 ZINC000070461852 205278437 /nfs/dbraw/zinc/27/84/37/205278437.db2.gz GRYMNDAFRAHQPQ-UHFFFAOYSA-N 0 0 396.382 2.277 40 5 GEBBRN COCc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000223776367 206006649 /nfs/dbraw/zinc/00/66/49/206006649.db2.gz GRFPVGDTGBJYEU-UHFFFAOYSA-N 0 0 393.421 2.146 40 5 GEBBRN Cc1c(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000225082128 206035706 /nfs/dbraw/zinc/03/57/06/206035706.db2.gz LQMAWMYZLKNIGP-UHFFFAOYSA-N 0 0 389.389 2.357 40 5 GEBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 ZINC000224917370 206030183 /nfs/dbraw/zinc/03/01/83/206030183.db2.gz HNORVLPISZUCPL-UHFFFAOYSA-N 0 0 382.369 2.492 40 5 GEBBRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000225623583 206063251 /nfs/dbraw/zinc/06/32/51/206063251.db2.gz DAJOCYGBAXMYKA-GFCCVEGCSA-N 0 0 393.421 2.397 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000225774196 206075442 /nfs/dbraw/zinc/07/54/42/206075442.db2.gz DVUXDPOKHORBGG-UHFFFAOYSA-N 0 0 393.421 2.004 40 5 GEBBRN COC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000006153770 136196802 /nfs/dbraw/zinc/19/68/02/136196802.db2.gz LVLHYXCVEIFFGG-UHFFFAOYSA-N 0 0 385.376 2.470 40 5 GEBBRN CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409113611 528385460 /nfs/dbraw/zinc/38/54/60/528385460.db2.gz HUNRRQUJCVRQJQ-UHFFFAOYSA-N 0 0 377.422 2.316 40 5 GEBBRN COC(=O)c1cc2c3ccccc3n(C)c(=O)c2c(C(=O)OC)c1C(=O)OC ZINC000001719420 570267525 /nfs/dbraw/zinc/26/75/25/570267525.db2.gz FIFFRNJGBLWGBD-UHFFFAOYSA-N 0 0 383.356 2.052 40 5 GEBBRN COc1ccc([N+](=O)[O-])c(C=O)c1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000001566438 570322311 /nfs/dbraw/zinc/32/23/11/570322311.db2.gz WIAMUSGBMLTQOM-UHFFFAOYSA-N 0 0 396.333 2.400 40 5 GEBBRN Nc1ncnc(N)c1NC(=O)c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001745652 570413006 /nfs/dbraw/zinc/41/30/06/570413006.db2.gz AGHYFUIJEDBIQF-UHFFFAOYSA-N 0 0 378.348 2.033 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000016445792 570419641 /nfs/dbraw/zinc/41/96/41/570419641.db2.gz ABGPKPUFXMQAGQ-UHFFFAOYSA-N 0 0 384.436 2.360 40 5 GEBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100771852 570443507 /nfs/dbraw/zinc/44/35/07/570443507.db2.gz VWRNPGRNJQVQRQ-FHWLQOOXSA-N 0 0 392.415 2.439 40 5 GEBBRN NC1=C([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)c2c(=O)oc3ccccc3c2O1 ZINC000000808778 570483765 /nfs/dbraw/zinc/48/37/65/570483765.db2.gz OMYDHTDYEHHAJS-AWEZNQCLSA-N 0 0 380.312 2.451 40 5 GEBBRN COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004719357 570632045 /nfs/dbraw/zinc/63/20/45/570632045.db2.gz BWKMCINYMOWIGA-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000205694083 570856917 /nfs/dbraw/zinc/85/69/17/570856917.db2.gz DFYSEDSHIQBSDA-MHWRWJLKSA-N 0 0 380.360 2.435 40 5 GEBBRN C[C@H](C(=O)NCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220398695 570998264 /nfs/dbraw/zinc/99/82/64/570998264.db2.gz KBJJHHKMTVNJLN-CQSZACIVSA-N 0 0 391.449 2.108 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O ZINC000113937279 231023446 /nfs/dbraw/zinc/02/34/46/231023446.db2.gz ISJHRMGDTSJEQC-UHFFFAOYSA-N 0 0 379.394 2.008 40 5 GEBBRN COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C ZINC000408612830 231080148 /nfs/dbraw/zinc/08/01/48/231080148.db2.gz ZCBHAYOUSKLEOA-UHFFFAOYSA-N 0 0 393.421 2.080 40 5 GEBBRN Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000225285424 222673254 /nfs/dbraw/zinc/67/32/54/222673254.db2.gz BHTWHELUVDYENR-UHFFFAOYSA-N 0 0 377.422 2.304 40 5 GEBBRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000013682246 204502689 /nfs/dbraw/zinc/50/26/89/204502689.db2.gz JECPKTZKDRSYIL-INIZCTEOSA-N 0 0 391.405 2.151 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)C1CCCCC1)S(C)(=O)=O ZINC000020481705 204721343 /nfs/dbraw/zinc/72/13/43/204721343.db2.gz YCTHULRBYOAGGI-UHFFFAOYSA-N 0 0 383.470 2.460 40 5 GEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000054992112 205141455 /nfs/dbraw/zinc/14/14/55/205141455.db2.gz REEIIVVVKAFBGV-PMPSAXMXSA-N 0 0 377.466 2.113 40 5 GEBBRN COc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1OC ZINC000056105264 205151050 /nfs/dbraw/zinc/15/10/50/205151050.db2.gz VIGWGXYBBGWSFP-UHFFFAOYSA-N 0 0 382.394 2.099 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC1CCCCC1)S(C)(=O)=O ZINC000223883340 206008477 /nfs/dbraw/zinc/00/84/77/206008477.db2.gz ZECMKBPBSWYUEQ-UHFFFAOYSA-N 0 0 399.469 2.066 40 5 GEBBRN CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224863556 206028448 /nfs/dbraw/zinc/02/84/48/206028448.db2.gz PWILSQHHEBQHMY-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N ZINC000100560181 206216468 /nfs/dbraw/zinc/21/64/68/206216468.db2.gz XNZCEUIXIZLUQA-UHFFFAOYSA-N 0 0 395.463 2.010 40 5 GEBBRN COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000105669315 533471740 /nfs/dbraw/zinc/47/17/40/533471740.db2.gz PFXWUPNSBQAVIS-MDWZMJQESA-N 0 0 399.384 2.168 40 5 GEBBRN COc1cccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000408564001 533804923 /nfs/dbraw/zinc/80/49/23/533804923.db2.gz UFPXFFSYFNVIMR-LJQANCHMSA-N 0 0 385.376 2.436 40 5 GEBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC000408684169 534750606 /nfs/dbraw/zinc/75/06/06/534750606.db2.gz MXCYNGYBUSUEPO-UHFFFAOYSA-N 0 0 398.331 2.209 40 5 GEBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nn1cnnc1 ZINC000014406057 570310675 /nfs/dbraw/zinc/31/06/75/570310675.db2.gz QVYDMUHLFKHROL-CMDGGOBGSA-N 0 0 378.348 2.222 40 5 GEBBRN CCOc1ccc(N2C(=O)[C@H]3ON(C)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000100612489 570413192 /nfs/dbraw/zinc/41/31/92/570413192.db2.gz YPFJVMLESHRTRP-KSZLIROESA-N 0 0 397.387 2.470 40 5 GEBBRN O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000026781505 570437476 /nfs/dbraw/zinc/43/74/76/570437476.db2.gz DAEKAJGVPBCCHK-GOSISDBHSA-N 0 0 375.400 2.296 40 5 GEBBRN Cn1c(=O)c2c(n(C)c1=O)Oc1ccccc1N(C)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000001088432 570750720 /nfs/dbraw/zinc/75/07/20/570750720.db2.gz WNKLFGGVQNYKHG-QGZVFWFLSA-N 0 0 394.387 2.324 40 5 GEBBRN CCOC(=O)c1cc([N+](=O)[O-])c(Sc2ncnc3[nH]cnc32)c([N+](=O)[O-])c1 ZINC000017059223 570925752 /nfs/dbraw/zinc/92/57/52/570925752.db2.gz WTXYVXWWBVDERD-UHFFFAOYSA-N 0 0 390.337 2.497 40 5 GEBBRN COc1c(/C=c2\sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408718265 231104446 /nfs/dbraw/zinc/10/44/46/231104446.db2.gz GVZOCADBPYCJQZ-AUWJEWJLSA-N 0 0 398.356 2.282 40 5 GEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000408647668 231091443 /nfs/dbraw/zinc/09/14/43/231091443.db2.gz UCRRRJATKLLACZ-UHFFFAOYSA-N 0 0 375.293 2.307 40 5 GEBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F ZINC000408751318 231112163 /nfs/dbraw/zinc/11/21/63/231112163.db2.gz DLOIQIKIOAUMBD-HNNXBMFYSA-N 0 0 380.282 2.491 40 5 GEBBRN COCCCn1ccc2nc3ccn(Cc4cccnc4)c(=O)c3cc2c1=O ZINC000038829163 205038339 /nfs/dbraw/zinc/03/83/39/205038339.db2.gz KCIQOMHFGNUOJZ-UHFFFAOYSA-N 0 0 376.416 2.191 40 5 GEBBRN COCc1n[nH]c(-n2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)n1 ZINC000040398991 205063490 /nfs/dbraw/zinc/06/34/90/205063490.db2.gz OAPILCUCTMZUPB-UHFFFAOYSA-N 0 0 392.419 2.080 40 5 GEBBRN C[C@@H](C(=O)N1CCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220415099 205970737 /nfs/dbraw/zinc/97/07/37/205970737.db2.gz ZYEPHMDCTDYYBQ-ZDUSSCGKSA-N 0 0 389.433 2.339 40 5 GEBBRN COc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220401025 205971003 /nfs/dbraw/zinc/97/10/03/205971003.db2.gz RRGWVIBZNJQGBT-GFCCVEGCSA-N 0 0 393.421 2.397 40 5 GEBBRN COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225004060 206032164 /nfs/dbraw/zinc/03/21/64/206032164.db2.gz BVFSNZNMQRXYGB-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN COC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c(=O)cccc43)[C@@H]12 ZINC000012664571 136200583 /nfs/dbraw/zinc/20/05/83/136200583.db2.gz KHRSDZOKKQCASB-AQXBJYLJSA-N 0 0 395.415 2.094 40 5 GEBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O ZINC000409067896 534226425 /nfs/dbraw/zinc/22/64/25/534226425.db2.gz ROSDMLMAFJEVEY-VVESDKHQSA-N 0 0 396.377 2.210 40 5 GEBBRN O=C(CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F ZINC000409213616 534511025 /nfs/dbraw/zinc/51/10/25/534511025.db2.gz VDVVNELVYGEHLX-OQLLNIDSSA-N 0 0 384.323 2.265 40 5 GEBBRN O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F ZINC000000871854 570294571 /nfs/dbraw/zinc/29/45/71/570294571.db2.gz AUULDMOCHFKMTJ-OAHLLOKOSA-N 0 0 380.282 2.491 40 5 GEBBRN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000575419991 570307494 /nfs/dbraw/zinc/30/74/94/570307494.db2.gz CDZHCWZHBQMHTM-INIZCTEOSA-N 0 0 389.433 2.124 40 5 GEBBRN COc1ccc(CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000001704703 570340870 /nfs/dbraw/zinc/34/08/70/570340870.db2.gz CVIIUTMSIBJPLP-UHFFFAOYSA-N 0 0 388.376 2.242 40 5 GEBBRN O=C(NC(=S)NCc1cccnc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408627727 570388200 /nfs/dbraw/zinc/38/82/00/570388200.db2.gz NGPOWZRGRKQOTD-UHFFFAOYSA-N 0 0 385.449 2.395 40 5 GEBBRN COc1ccccc1N1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026781515 570437520 /nfs/dbraw/zinc/43/75/20/570437520.db2.gz OMKPBEYCDIHBEY-KRWDZBQOSA-N 0 0 387.436 2.165 40 5 GEBBRN COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 ZINC000220023938 570603980 /nfs/dbraw/zinc/60/39/80/570603980.db2.gz WUBIFUPMHXHTDC-UHFFFAOYSA-N 0 0 393.421 2.317 40 5 GEBBRN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000013681562 570667652 /nfs/dbraw/zinc/66/76/52/570667652.db2.gz CEMNXFPJNSXODE-UHFFFAOYSA-N 0 0 379.394 2.154 40 5 GEBBRN C[C@@H]1CCCCN1C(=O)c1ccccc1S(=O)(=O)N1CCC([N+](=O)[O-])CC1 ZINC000001086624 570750768 /nfs/dbraw/zinc/75/07/68/570750768.db2.gz HZUOQHOCXDLFSU-CQSZACIVSA-N 0 0 395.481 2.131 40 5 GEBBRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000015359053 570927216 /nfs/dbraw/zinc/92/72/16/570927216.db2.gz LLNIQCVPQQWQJL-LBPRGKRZSA-N 0 0 398.462 2.346 40 5 GEBBRN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N(C)C ZINC000223248853 570983022 /nfs/dbraw/zinc/98/30/22/570983022.db2.gz LQEWFNCQEOJVAC-UHFFFAOYSA-N 0 0 393.421 2.171 40 5 GEBBRN Cc1ccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220405245 571033872 /nfs/dbraw/zinc/03/38/72/571033872.db2.gz JKFFRPQURWXWBJ-CQSZACIVSA-N 0 0 391.449 2.374 40 5 GEBBRN C[C@H](C(=O)NCc1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220419841 571046561 /nfs/dbraw/zinc/04/65/61/571046561.db2.gz ZYAUSWVNAQKUJV-GFCCVEGCSA-N 0 0 395.412 2.205 40 5 GEBBRN NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012500167 642372981 /nfs/dbraw/zinc/37/29/81/642372981.db2.gz ASZOMMGFUUTHIR-UHFFFAOYSA-N 0 0 378.797 2.474 40 5 GEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000408646882 231091132 /nfs/dbraw/zinc/09/11/32/231091132.db2.gz QVFIMOAPZBQRHU-UHFFFAOYSA-N 0 0 390.348 2.416 40 5 GEBBRN CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000225037773 222668253 /nfs/dbraw/zinc/66/82/53/222668253.db2.gz UKWNZEZPDYDZAG-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN CN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000005319574 531517822 /nfs/dbraw/zinc/51/78/22/531517822.db2.gz PMCUHGMMGKYEEE-QMMMGPOBSA-N 0 0 383.304 2.145 40 5 GEBBRN O=C(NCCCn1cc(Cl)cn1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002778208 209115342 /nfs/dbraw/zinc/11/53/42/209115342.db2.gz NCZLZPQLSFTBIK-UHFFFAOYSA-N 0 0 378.776 2.103 40 5 GEBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NCCO)n1 ZINC000329065960 206243829 /nfs/dbraw/zinc/24/38/29/206243829.db2.gz XVWNLOACFARLCB-UHFFFAOYSA-N 0 0 386.799 2.092 40 5 GEBBRN CC(C)[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)n1 ZINC000329069947 206244576 /nfs/dbraw/zinc/24/45/76/206244576.db2.gz ZBPFHMPODGOWBA-CYBMUJFWSA-N 0 0 399.373 2.288 40 5 GEBBRN COc1ccc(Nc2cc(-c3ccccc3)nc(NCCO)n2)c([N+](=O)[O-])c1 ZINC000328983660 206239388 /nfs/dbraw/zinc/23/93/88/206239388.db2.gz HHWBPYVUQLZPQY-UHFFFAOYSA-N 0 0 381.392 2.052 40 5 GEBBRN COc1ccc(Nc2cc(-c3ccccc3)nc(NCCCO)n2)c([N+](=O)[O-])c1 ZINC000329042575 206242062 /nfs/dbraw/zinc/24/20/62/206242062.db2.gz SOEYXHLLXJBLKW-UHFFFAOYSA-N 0 0 395.419 2.442 40 5 GEBBRN O=[N+]([O-])c1ccc(CNc2cc(-c3ccccc3)nc(NCCCO)n2)cc1 ZINC000329031736 206242336 /nfs/dbraw/zinc/24/23/36/206242336.db2.gz QKRKSKIIYKAPKH-UHFFFAOYSA-N 0 0 379.420 2.302 40 5 GEBBRN Cn1c(=O)c2c(n(C)c1=O)Oc1ccccc1N(C)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000001088431 206351571 /nfs/dbraw/zinc/35/15/71/206351571.db2.gz WNKLFGGVQNYKHG-KRWDZBQOSA-N 0 0 394.387 2.324 40 5 GEBBRN CCNS(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000016681822 207075946 /nfs/dbraw/zinc/07/59/46/207075946.db2.gz ZPEYSSRWBOZLCJ-UHFFFAOYSA-N 0 0 393.421 2.462 40 5 GEBBRN CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc21 ZINC000017059234 207082530 /nfs/dbraw/zinc/08/25/30/207082530.db2.gz IPWMNOSWXXOIJR-UHFFFAOYSA-N 0 0 390.337 2.497 40 5 GEBBRN CCCCCn1ccc2nc3ccn(-c4nc(COC)n[nH]4)c(=O)c3cc2c1=O ZINC000040398980 207597314 /nfs/dbraw/zinc/59/73/14/207597314.db2.gz GWLQMPVBPNBMMM-UHFFFAOYSA-N 0 0 394.435 2.155 40 5 GEBBRN CS(=O)(=O)N[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000225946762 208985272 /nfs/dbraw/zinc/98/52/72/208985272.db2.gz HZCGYFGYYUSINF-HNNXBMFYSA-N 0 0 381.385 2.353 40 5 GEBBRN COc1cc(/C=C2/NC(=S)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408730118 533471277 /nfs/dbraw/zinc/47/12/77/533471277.db2.gz NOQSHLRKZMKUMH-NTUHNPAUSA-N 0 0 399.384 2.168 40 5 GEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224651227 570939134 /nfs/dbraw/zinc/93/91/34/570939134.db2.gz IQEJQIAQSKPADQ-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN O=C(COC(=O)c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000059475080 230945333 /nfs/dbraw/zinc/94/53/33/230945333.db2.gz MOGOGELDQOPNKD-UHFFFAOYSA-N 0 0 380.312 2.064 40 5 GEBBRN COc1cccc([C@@]2(O)CC(C)=NN2C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000408563999 231063871 /nfs/dbraw/zinc/06/38/71/231063871.db2.gz UFPXFFSYFNVIMR-IBGZPJMESA-N 0 0 385.376 2.436 40 5 GEBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 ZINC000408977310 231139806 /nfs/dbraw/zinc/13/98/06/231139806.db2.gz WUZHTAWDYRLXPJ-UHFFFAOYSA-N 0 0 389.327 2.438 40 5 GEBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NCCO)n1 ZINC000329069959 206243775 /nfs/dbraw/zinc/24/37/75/206243775.db2.gz ZBULBEBOJCHJBP-UHFFFAOYSA-N 0 0 377.710 2.049 40 5 GEBBRN CCOC(=O)[C@@H](C(C)=O)C(c1ccc([N+](=O)[O-])cc1)[C@H](C(C)=O)C(=O)OCC ZINC000001754400 206391928 /nfs/dbraw/zinc/39/19/28/206391928.db2.gz MTXHYIKVGUIRKV-HOTGVXAUSA-N 0 0 393.392 2.215 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000016086641 207071893 /nfs/dbraw/zinc/07/18/93/207071893.db2.gz ZMAPBOFEJWFPKS-UHFFFAOYSA-N 0 0 378.406 2.495 40 5 GEBBRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N(C)O[C@@H]3C2=O)cc1 ZINC000018044935 207092013 /nfs/dbraw/zinc/09/20/13/207092013.db2.gz YPFJVMLESHRTRP-SQNIBIBYSA-N 0 0 397.387 2.470 40 5 GEBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(F)cc1 ZINC000019169768 207106558 /nfs/dbraw/zinc/10/65/58/207106558.db2.gz KHSDFBUCFIUFGJ-KURKYZTESA-N 0 0 396.378 2.270 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000020481879 207196912 /nfs/dbraw/zinc/19/69/12/207196912.db2.gz NXBVZYZBADRAJO-MRXNPFEDSA-N 0 0 391.405 2.069 40 5 GEBBRN CCOc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000022390011 207252970 /nfs/dbraw/zinc/25/29/70/207252970.db2.gz OAIAZBSXJGZYBG-UHFFFAOYSA-N 0 0 393.421 2.398 40 5 GEBBRN O=c1c2cc3c(ccn(CCc4ccccc4)c3=O)nc2ccn1CCCO ZINC000040398824 207597168 /nfs/dbraw/zinc/59/71/68/207597168.db2.gz UHEGUXNSIVGTGV-UHFFFAOYSA-N 0 0 375.428 2.337 40 5 GEBBRN COc1ccc([C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)NS(C)(=O)=O)cc1 ZINC000225956539 208985212 /nfs/dbraw/zinc/98/52/12/208985212.db2.gz FNTMGVOYBYHXLJ-MRXNPFEDSA-N 0 0 393.421 2.223 40 5 GEBBRN CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3ccc([N+](=O)[O-])s3)C1)COC2 ZINC000248105586 209030421 /nfs/dbraw/zinc/03/04/21/209030421.db2.gz IPUTZXOCHFMSTG-QGZVFWFLSA-N 0 0 375.454 2.186 40 5 GEBBRN C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000113941775 136192125 /nfs/dbraw/zinc/19/21/25/136192125.db2.gz BKOVKRRJZHVWNO-UHFFFAOYSA-N 0 0 376.438 2.147 40 5 GEBBRN CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225021641 528807657 /nfs/dbraw/zinc/80/76/57/528807657.db2.gz WFUIKDMSNWKXTJ-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN COc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000408624888 570387550 /nfs/dbraw/zinc/38/75/50/570387550.db2.gz DEZXWPFDJORNCF-UHFFFAOYSA-N 0 0 391.365 2.143 40 5 GEBBRN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000038853978 570588345 /nfs/dbraw/zinc/58/83/45/570588345.db2.gz XRFMCRYEOMUJCB-INIZCTEOSA-N 0 0 391.405 2.151 40 5 GEBBRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000013581026 570658270 /nfs/dbraw/zinc/65/82/70/570658270.db2.gz WFGRLWQIGMUFFU-UHFFFAOYSA-N 0 0 397.384 2.002 40 5 GEBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O ZINC000409010882 570693517 /nfs/dbraw/zinc/69/35/17/570693517.db2.gz GAZNHVAAXODFJD-PGSWQMMVSA-N 0 0 394.361 2.311 40 5 GEBBRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222781260 570756085 /nfs/dbraw/zinc/75/60/85/570756085.db2.gz XDQWIYAHDBFWQR-AWEZNQCLSA-N 0 0 385.420 2.309 40 5 GEBBRN Nc1c([N+](=O)[O-])cc(Cc2cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000104057865 570894804 /nfs/dbraw/zinc/89/48/04/570894804.db2.gz NRIGOBXBBXJHED-UHFFFAOYSA-N 0 0 378.257 2.075 40 5 GEBBRN COc1cccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220168550 570903440 /nfs/dbraw/zinc/90/34/40/570903440.db2.gz LVIXLXINPPDUMK-GFCCVEGCSA-N 0 0 393.421 2.397 40 5 GEBBRN COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224776471 570967781 /nfs/dbraw/zinc/96/77/81/570967781.db2.gz WFAIHNGWHWCVDO-UHFFFAOYSA-N 0 0 382.369 2.411 40 5 GEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(F)cc1 ZINC000224918540 570997275 /nfs/dbraw/zinc/99/72/75/570997275.db2.gz YOCPVAVHGCCHCV-UHFFFAOYSA-N 0 0 382.369 2.411 40 5 GEBBRN Cc1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000220405318 571033792 /nfs/dbraw/zinc/03/37/92/571033792.db2.gz JKFFRPQURWXWBJ-AWEZNQCLSA-N 0 0 391.449 2.374 40 5 GEBBRN COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cccs1 ZINC000225136020 645388334 /nfs/dbraw/zinc/38/83/34/645388334.db2.gz LWDIOFINXGVNNO-UHFFFAOYSA-N 0 0 386.407 2.033 40 5 GEBBRN C[C@H]1Cc2ccccc2N1C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000010449825 230875496 /nfs/dbraw/zinc/87/54/96/230875496.db2.gz WZUWDBIRRPCGFD-ZDUSSCGKSA-N 0 0 389.433 2.339 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C)S(C)(=O)=O ZINC000113937325 231023805 /nfs/dbraw/zinc/02/38/05/231023805.db2.gz ATTUJGVRZNUTRO-UHFFFAOYSA-N 0 0 393.421 2.317 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O ZINC000408606412 231077816 /nfs/dbraw/zinc/07/78/16/231077816.db2.gz IRPIGHNTGONWGW-UHFFFAOYSA-N 0 0 395.412 2.443 40 5 GEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000408663261 231092805 /nfs/dbraw/zinc/09/28/05/231092805.db2.gz RPVUJRWKEHRBPF-UHFFFAOYSA-N 0 0 387.348 2.357 40 5 GEBBRN O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F ZINC000408751398 231111769 /nfs/dbraw/zinc/11/17/69/231111769.db2.gz MEOCOWFBGSINAW-OAHLLOKOSA-N 0 0 380.282 2.491 40 5 GEBBRN CN(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000409025129 529996954 /nfs/dbraw/zinc/99/69/54/529996954.db2.gz QZVGJMVWWJCTDW-UHFFFAOYSA-N 0 0 377.422 2.019 40 5 GEBBRN COc1ccc(Nc2cc(-c3ccccc3)nc(N[C@H](C)CO)n2)c([N+](=O)[O-])c1 ZINC000328993740 206239036 /nfs/dbraw/zinc/23/90/36/206239036.db2.gz JASPFGGZCCFWRJ-CYBMUJFWSA-N 0 0 395.419 2.441 40 5 GEBBRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc21 ZINC000017059233 207082120 /nfs/dbraw/zinc/08/21/20/207082120.db2.gz QEQGBSROLJZJOO-UHFFFAOYSA-N 0 0 376.310 2.107 40 5 GEBBRN O=C1CCCN1c1cccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000032444004 207394375 /nfs/dbraw/zinc/39/43/75/207394375.db2.gz BRVQNURPBITDJQ-UHFFFAOYSA-N 0 0 375.406 2.200 40 5 GEBBRN Cc1c(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220026837 208857752 /nfs/dbraw/zinc/85/77/52/208857752.db2.gz WFDIYGDSBGEKPH-UHFFFAOYSA-N 0 0 385.486 2.466 40 5 GEBBRN CS(=O)(=O)N[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000225946772 208984909 /nfs/dbraw/zinc/98/49/09/208984909.db2.gz HZCGYFGYYUSINF-OAHLLOKOSA-N 0 0 381.385 2.353 40 5 GEBBRN O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000006444688 136195108 /nfs/dbraw/zinc/19/51/08/136195108.db2.gz NXJHBZXOOHLVST-UHFFFAOYSA-N 0 0 393.377 2.172 40 5 GEBBRN CS(=O)(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016808015 136202159 /nfs/dbraw/zinc/20/21/59/136202159.db2.gz NCABQWPMRZQNHJ-UHFFFAOYSA-N 0 0 379.413 2.464 40 5 GEBBRN CN(C)c1ccc(S(=O)(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000005011547 570395367 /nfs/dbraw/zinc/39/53/67/570395367.db2.gz WZHASEPETPXIPG-UHFFFAOYSA-N 0 0 394.409 2.468 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000224139576 570423082 /nfs/dbraw/zinc/42/30/82/570423082.db2.gz PPLFOLYKXFYUOZ-UHFFFAOYSA-N 0 0 395.412 2.443 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000008091313 570461414 /nfs/dbraw/zinc/46/14/14/570461414.db2.gz VGXBOIQRLDYOIU-UHFFFAOYSA-N 0 0 379.394 2.252 40 5 GEBBRN CCSc1n[nH]c(-n2ccc3nc4ccn(C5CC5)c(=O)c4cc3c2=O)n1 ZINC000040398906 570602225 /nfs/dbraw/zinc/60/22/25/570602225.db2.gz KDRNPOMSKOYLGW-UHFFFAOYSA-N 0 0 380.433 2.266 40 5 GEBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102682175 570858138 /nfs/dbraw/zinc/85/81/38/570858138.db2.gz VWRNPGRNJQVQRQ-CEXWTWQISA-N 0 0 392.415 2.439 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224899085 570993902 /nfs/dbraw/zinc/99/39/02/570993902.db2.gz CHTXRNYUVXZDEK-UHFFFAOYSA-N 0 0 379.394 2.387 40 5 GEBBRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000223292460 571001673 /nfs/dbraw/zinc/00/16/73/571001673.db2.gz FQEROULPDJPGOT-UXBLZVDNSA-N 0 0 375.406 2.463 40 5 GEBBRN Cc1c(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000223307639 571002725 /nfs/dbraw/zinc/00/27/25/571002725.db2.gz NNERGPZQNAUJJF-UHFFFAOYSA-N 0 0 393.421 2.171 40 5 GEBBRN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@H]12 ZINC000408728774 231106803 /nfs/dbraw/zinc/10/68/03/231106803.db2.gz TYQRNUPRNJPQFE-YXMPFFBPSA-N 0 0 379.166 2.190 40 5 GEBBRN Cc1c(Nc2cc(-c3cccnc3)nc(NCCCO)n2)cccc1[N+](=O)[O-] ZINC000329070943 206244545 /nfs/dbraw/zinc/24/45/45/206244545.db2.gz ZLUYHPMCVHZXMA-UHFFFAOYSA-N 0 0 380.408 2.137 40 5 GEBBRN CCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000016681873 207076361 /nfs/dbraw/zinc/07/63/61/207076361.db2.gz PHKHWSQJLYVENI-UHFFFAOYSA-N 0 0 393.421 2.462 40 5 GEBBRN CCCn1nnnc1NC(=S)NC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017080924 207084578 /nfs/dbraw/zinc/08/45/78/207084578.db2.gz UAAPTKGSVLTLAI-GQCTYLIASA-N 0 0 395.832 2.171 40 5 GEBBRN O=C1[C@@H]2[C@H](c3ccc(F)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000019169737 207105940 /nfs/dbraw/zinc/10/59/40/207105940.db2.gz RAQYNQFIWWMULJ-SQNIBIBYSA-N 0 0 396.378 2.270 40 5 GEBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169582 207105989 /nfs/dbraw/zinc/10/59/89/207105989.db2.gz VWRNPGRNJQVQRQ-QYZOEREBSA-N 0 0 392.415 2.439 40 5 GEBBRN O=[N+]([O-])[C@]12CN(Cc3ccccc3)CN(CN(C(=S)Nc3ccccc3)C1)C2 ZINC000019312781 207114883 /nfs/dbraw/zinc/11/48/83/207114883.db2.gz LQXREYITZIZTKQ-FQEVSTJZSA-N 0 0 397.504 2.447 40 5 GEBBRN CN(c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(C)(=O)=O ZINC000022230652 207250131 /nfs/dbraw/zinc/25/01/31/207250131.db2.gz OSYSYBOYAQGHAH-UHFFFAOYSA-N 0 0 379.394 2.008 40 5 GEBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000044900158 207645829 /nfs/dbraw/zinc/64/58/29/207645829.db2.gz HCAXLGAZPMPKSB-LBPRGKRZSA-N 0 0 395.412 2.377 40 5 GEBBRN O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)cc1[O-] ZINC000306131459 209102694 /nfs/dbraw/zinc/10/26/94/209102694.db2.gz KFERBRWNSQGGAY-FQEVSTJZSA-N 0 0 397.435 2.339 40 5 GEBBRN COc1ccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408563923 533210992 /nfs/dbraw/zinc/21/09/92/533210992.db2.gz SFAWOSFJSIXRHJ-LJQANCHMSA-N 0 0 385.376 2.436 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000409136945 533224368 /nfs/dbraw/zinc/22/43/68/533224368.db2.gz ZFGJXJLIPZGRSV-UHFFFAOYSA-N 0 0 393.421 2.317 40 5 GEBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000105394751 533447805 /nfs/dbraw/zinc/44/78/05/533447805.db2.gz KRABQYXWTJLCIB-UHFFFAOYSA-N 0 0 392.280 2.437 40 5 GEBBRN COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O ZINC000408548919 533501630 /nfs/dbraw/zinc/50/16/30/533501630.db2.gz NIUIFRXSRAQZSH-RIYZIHGNSA-N 0 0 385.332 2.229 40 5 GEBBRN O=C(CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F ZINC000409218730 534511144 /nfs/dbraw/zinc/51/11/44/534511144.db2.gz KBWXEEDQGCUNFA-OQLLNIDSSA-N 0 0 384.323 2.265 40 5 GEBBRN COc1cc(C=C2C(=O)N=C(N)N2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000006169370 570278918 /nfs/dbraw/zinc/27/89/18/570278918.db2.gz DXKVKEFKSQKXGH-OQLLNIDSSA-N 0 0 382.376 2.310 40 5 GEBBRN COc1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000056105248 570324819 /nfs/dbraw/zinc/32/48/19/570324819.db2.gz WYEOMWRUPCRXAQ-UHFFFAOYSA-N 0 0 396.421 2.408 40 5 GEBBRN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000033537707 570369458 /nfs/dbraw/zinc/36/94/58/570369458.db2.gz TZVQKYXEICHGMV-KRWDZBQOSA-N 0 0 375.400 2.296 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000224192271 570436555 /nfs/dbraw/zinc/43/65/55/570436555.db2.gz MQKGTEUNSWZMDX-MRXNPFEDSA-N 0 0 393.421 2.175 40 5 GEBBRN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008381777 570530105 /nfs/dbraw/zinc/53/01/05/570530105.db2.gz VMABJQCIYXTKKX-UHFFFAOYSA-N 0 0 395.780 2.031 40 5 GEBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCN2CCc3ccccc32)c1 ZINC000044883232 570978716 /nfs/dbraw/zinc/97/87/16/570978716.db2.gz WDPOLFIXEZDOKG-UHFFFAOYSA-N 0 0 375.450 2.467 40 5 GEBBRN Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCC2=O)cc1 ZINC000007881742 230858371 /nfs/dbraw/zinc/85/83/71/230858371.db2.gz XQIPODYYFVUVER-UHFFFAOYSA-N 0 0 395.371 2.292 40 5 GEBBRN Cn1c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408532369 231052425 /nfs/dbraw/zinc/05/24/25/231052425.db2.gz MLNUVIACFOCSAC-VMPITWQZSA-N 0 0 397.347 2.345 40 5 GEBBRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000408690795 231095061 /nfs/dbraw/zinc/09/50/61/231095061.db2.gz WSDHWCNWUHQLRX-UHFFFAOYSA-N 0 0 392.393 2.290 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000409262659 231188272 /nfs/dbraw/zinc/18/82/72/231188272.db2.gz GJRXXKHDKZLUOI-UHFFFAOYSA-N 0 0 381.385 2.447 40 5 GEBBRN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F ZINC000001752489 531503807 /nfs/dbraw/zinc/50/38/07/531503807.db2.gz NYOXUQQHBNZXLN-UHFFFAOYSA-N 0 0 381.313 2.385 40 5 GEBBRN Cc1c(Nc2cc(-c3ccncc3)nc(N[C@@H](C)CO)n2)cccc1[N+](=O)[O-] ZINC000328961068 222806214 /nfs/dbraw/zinc/80/62/14/222806214.db2.gz BAYVCRQPIKKLNA-LBPRGKRZSA-N 0 0 380.408 2.135 40 5 GEBBRN Cc1c(Nc2cc(-c3ccccn3)nc(N[C@@H](C)CO)n2)cccc1[N+](=O)[O-] ZINC000329005232 206240522 /nfs/dbraw/zinc/24/05/22/206240522.db2.gz KXAVZIJDUFCXNG-LBPRGKRZSA-N 0 0 380.408 2.135 40 5 GEBBRN CC(C)N1C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C1=O ZINC000100900468 208383767 /nfs/dbraw/zinc/38/37/67/208383767.db2.gz DUGBMWGIDZFZEO-OTWHNJEPSA-N 0 0 394.431 2.418 40 5 GEBBRN Cc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220026395 208858708 /nfs/dbraw/zinc/85/87/08/208858708.db2.gz BJSIHLNOXMVAES-UHFFFAOYSA-N 0 0 391.449 2.294 40 5 GEBBRN COc1ccc([C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)NS(C)(=O)=O)cc1 ZINC000225956556 208985038 /nfs/dbraw/zinc/98/50/38/208985038.db2.gz FNTMGVOYBYHXLJ-INIZCTEOSA-N 0 0 393.421 2.223 40 5 GEBBRN CNS(=O)(=O)c1ccc(C)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000225990169 208986901 /nfs/dbraw/zinc/98/69/01/208986901.db2.gz ALAKBTNFBARICR-UHFFFAOYSA-N 0 0 389.433 2.482 40 5 GEBBRN COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000010338610 534076886 /nfs/dbraw/zinc/07/68/86/534076886.db2.gz JDYZVYQHEXFLHQ-UHFFFAOYSA-N 0 0 393.421 2.317 40 5 GEBBRN COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408674454 534232652 /nfs/dbraw/zinc/23/26/52/534232652.db2.gz ZNDAGDWJCWFZMK-ZDUSSCGKSA-N 0 0 384.344 2.340 40 5 GEBBRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071980343 570306530 /nfs/dbraw/zinc/30/65/30/570306530.db2.gz HHJXNUONUOFGFS-INIZCTEOSA-N 0 0 391.424 2.031 40 5 GEBBRN COc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000056105257 570324739 /nfs/dbraw/zinc/32/47/39/570324739.db2.gz NLHREYFFUSZLJH-UHFFFAOYSA-N 0 0 382.394 2.099 40 5 GEBBRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000007305531 570502510 /nfs/dbraw/zinc/50/25/10/570502510.db2.gz QFRSZWGVVYFMQJ-UHFFFAOYSA-N 0 0 378.406 2.495 40 5 GEBBRN COc1cc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000013649688 570664759 /nfs/dbraw/zinc/66/47/59/570664759.db2.gz KZCQXJRHZGOFPU-UHFFFAOYSA-N 0 0 382.394 2.099 40 5 GEBBRN CCOC(=O)C1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(C)(C)C)C1 ZINC000001100262 570753520 /nfs/dbraw/zinc/75/35/20/570753520.db2.gz HAMRJJLVQSFKLT-SFHVURJKSA-N 0 0 377.397 2.023 40 5 GEBBRN CCOC(=O)C1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000103628673 570887346 /nfs/dbraw/zinc/88/73/46/570887346.db2.gz SNYUSMBJIXGQOA-SIXWZSSISA-N 0 0 393.392 2.388 40 5 GEBBRN Cn1c2ccccc2s/c1=N/C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000103718408 570888067 /nfs/dbraw/zinc/88/80/67/570888067.db2.gz LQGKXTRVRMTWAZ-FBMGVBCBSA-N 0 0 384.373 2.183 40 5 GEBBRN N=c1ccc(I)cn1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104821890 570906052 /nfs/dbraw/zinc/90/60/52/570906052.db2.gz IVOYOCOUXBBUDG-UHFFFAOYSA-N 0 0 383.145 2.363 40 5 GEBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000004071630 570929022 /nfs/dbraw/zinc/92/90/22/570929022.db2.gz IWVADMMKUSKQKW-INIZCTEOSA-N 0 0 388.401 2.318 40 5 GEBBRN N=c1nc(Sc2ccc(C3OC(=O)CC(=O)O3)cc2[N+](=O)[O-])ss1 ZINC000059488738 642831446 /nfs/dbraw/zinc/83/14/46/642831446.db2.gz VBXBFVLWNMMYHL-UHFFFAOYSA-N 0 0 385.404 2.232 40 5 GEBBRN Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000408552714 231058226 /nfs/dbraw/zinc/05/82/26/231058226.db2.gz NBRMBBCZNOAFJD-LLVKDONJSA-N 0 0 381.385 2.348 40 5 GEBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000408530041 231051149 /nfs/dbraw/zinc/05/11/49/231051149.db2.gz IMUCGBKLWGWBHL-UHFFFAOYSA-N 0 0 383.364 2.266 40 5 GEBBRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000013671429 206987318 /nfs/dbraw/zinc/98/73/18/206987318.db2.gz PIIHUZNFVUEZIC-UHFFFAOYSA-N 0 0 375.406 2.048 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000015358917 207050476 /nfs/dbraw/zinc/05/04/76/207050476.db2.gz MMMGYEREKANRPC-LBPRGKRZSA-N 0 0 398.462 2.346 40 5 GEBBRN CCOC(=O)[C@@H](C(C)=O)C(c1cccc([N+](=O)[O-])c1)[C@@H](C(C)=O)C(=O)OCC ZINC000015303579 207050495 /nfs/dbraw/zinc/05/04/95/207050495.db2.gz RQVPXOCQDODINV-SJPCQFCGSA-N 0 0 393.392 2.215 40 5 GEBBRN COC(=O)[C@@]1(N2CCOCC2)CC[C@@H]([C@@H](c2ccccc2)[C@@H](C)[N+](=O)[O-])C1 ZINC000031793421 207387089 /nfs/dbraw/zinc/38/70/89/207387089.db2.gz GVASIQUISVGKAV-DLVXIWMQSA-N 0 0 376.453 2.480 40 5 GEBBRN Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 ZINC000070461853 207929795 /nfs/dbraw/zinc/92/97/95/207929795.db2.gz DVBXJNNGWUWLAH-UHFFFAOYSA-N 0 0 392.419 2.446 40 5 GEBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100796436 208381472 /nfs/dbraw/zinc/38/14/72/208381472.db2.gz YNWBRRBQCXJGCX-FHWLQOOXSA-N 0 0 392.415 2.439 40 5 GEBBRN Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCO1 ZINC000000887414 208485773 /nfs/dbraw/zinc/48/57/73/208485773.db2.gz IXKFOECECZQMMJ-CQSZACIVSA-N 0 0 377.426 2.405 40 5 GEBBRN CC(C)(C)SCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000218306043 208835130 /nfs/dbraw/zinc/83/51/30/208835130.db2.gz OLNOZPIUNQBOAP-UHFFFAOYSA-N 0 0 389.499 2.009 40 5 GEBBRN COc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000223700822 208909079 /nfs/dbraw/zinc/90/90/79/208909079.db2.gz GWKNYRMHOLPNLU-UHFFFAOYSA-N 0 0 382.394 2.099 40 5 GEBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccccc2)CC1=O ZINC000408649525 533137137 /nfs/dbraw/zinc/13/71/37/533137137.db2.gz LCWQHPOIJMEYCM-CQSZACIVSA-N 0 0 398.371 2.382 40 5 GEBBRN COC(=O)CSc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000224960515 208937441 /nfs/dbraw/zinc/93/74/41/208937441.db2.gz QJPGUAANHUKLIC-QPJJXVBHSA-N 0 0 380.407 2.363 40 5 GEBBRN COc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000006235262 570344752 /nfs/dbraw/zinc/34/47/52/570344752.db2.gz UGIOJMSIIVIXMQ-UHFFFAOYSA-N 0 0 375.362 2.459 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC1=CCCCC1)S(C)(=O)=O ZINC000224057603 570382412 /nfs/dbraw/zinc/38/24/12/570382412.db2.gz HPCWZMWYIJVVOS-UHFFFAOYSA-N 0 0 381.454 2.286 40 5 GEBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000169296252 570476519 /nfs/dbraw/zinc/47/65/19/570476519.db2.gz ITGRDWINOVHPEM-ARFHVFGLSA-N 0 0 377.466 2.113 40 5 GEBBRN COc1ccccc1-n1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O ZINC000040399083 570602767 /nfs/dbraw/zinc/60/27/67/570602767.db2.gz LFTQQHAHUVWBFC-UHFFFAOYSA-N 0 0 385.383 2.422 40 5 GEBBRN O=C(COC(=O)CN1C[C@H](c2ccccc2)CC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000004615098 570666942 /nfs/dbraw/zinc/66/69/42/570666942.db2.gz TZNMTLUUZYDORY-OAHLLOKOSA-N 0 0 397.387 2.093 40 5 GEBBRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O ZINC000409010883 570693105 /nfs/dbraw/zinc/69/31/05/570693105.db2.gz GAZNHVAAXODFJD-ZGJMHTSCSA-N 0 0 394.361 2.311 40 5 GEBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccccc1 ZINC000102087800 570841008 /nfs/dbraw/zinc/84/10/08/570841008.db2.gz UWTUKTLYENKTAQ-KZNAEPCWSA-N 0 0 378.388 2.130 40 5 GEBBRN COc1ccc(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000044883304 570978803 /nfs/dbraw/zinc/97/88/03/570978803.db2.gz GJYAHRHLAVFXKE-UHFFFAOYSA-N 0 0 380.422 2.274 40 5 GEBBRN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000224889881 570993640 /nfs/dbraw/zinc/99/36/40/570993640.db2.gz AWIRARHJVKVJFX-UHFFFAOYSA-N 0 0 381.385 2.134 40 5 GEBBRN Cn1c2cc(NC(=O)CSc3ccccc3N)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408600018 231074042 /nfs/dbraw/zinc/07/40/42/231074042.db2.gz QYXUAWKZCAGBGY-UHFFFAOYSA-N 0 0 387.421 2.098 40 5 GEBBRN Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000408663709 231092772 /nfs/dbraw/zinc/09/27/72/231092772.db2.gz QHSDHHVZNZYSRQ-AWEZNQCLSA-N 0 0 397.387 2.438 40 5 GEBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC000408681685 231094528 /nfs/dbraw/zinc/09/45/28/231094528.db2.gz IESFOHFICRDZRM-UHFFFAOYSA-N 0 0 398.331 2.209 40 5 GEBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000409087743 231156900 /nfs/dbraw/zinc/15/69/00/231156900.db2.gz JTGCBPBJGUBQOA-XNTDXEJSSA-N 0 0 380.360 2.435 40 5 GEBBRN CCn1cc(CN(C)C(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)cn1 ZINC000002728924 209116727 /nfs/dbraw/zinc/11/67/27/209116727.db2.gz FSSBMRUMJWONEM-UHFFFAOYSA-N 0 0 384.396 2.316 40 5 GEBBRN C[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329035306 206242348 /nfs/dbraw/zinc/24/23/48/206242348.db2.gz RCSHXJSKLBABKN-ZETCQYMHSA-N 0 0 391.737 2.437 40 5 GEBBRN COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000600803 206308096 /nfs/dbraw/zinc/30/80/96/206308096.db2.gz NCUCGYYHUFIYNU-KRWDZBQOSA-N 0 0 388.376 2.135 40 5 world GEBBRN CO[C@@H](NC(=O)OCCn1c(C)ncc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000013230672 206971318 /nfs/dbraw/zinc/97/13/18/206971318.db2.gz DBTPCSVSLJRQDP-MRVPVSSYSA-N 0 0 375.596 2.169 40 5 GEBBRN COc1ccc([C@@H](C[N+](=O)[O-])c2c(NC(C)=O)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100924196 208384018 /nfs/dbraw/zinc/38/40/18/208384018.db2.gz PGRCFMRWOBYMND-MSOLQXFVSA-N 0 0 396.403 2.168 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000223307560 208897967 /nfs/dbraw/zinc/89/79/67/208897967.db2.gz XPQNIVOIGCZYAO-UHFFFAOYSA-N 0 0 393.421 2.171 40 5 GEBBRN COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224776753 208932820 /nfs/dbraw/zinc/93/28/20/208932820.db2.gz KGUVSVRFZHLKIE-UHFFFAOYSA-N 0 0 382.369 2.411 40 5 GEBBRN CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225022106 528478217 /nfs/dbraw/zinc/47/82/17/528478217.db2.gz LSJMOLNSXNZQRQ-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN COCCOC(=O)C1=CNC=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000147580676 570422830 /nfs/dbraw/zinc/42/28/30/570422830.db2.gz LERFTAJGPLMONS-KRWDZBQOSA-N 0 0 390.392 2.191 40 5 GEBBRN CSc1n[nH]c(-n2ccc3nc4ccn(CC(C)C)c(=O)c4cc3c2=O)n1 ZINC000040398858 570602351 /nfs/dbraw/zinc/60/23/51/570602351.db2.gz WHSNSWHJRLRCFV-UHFFFAOYSA-N 0 0 382.449 2.197 40 5 GEBBRN COC(=O)C[C@H](C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])N1CCCCCC1 ZINC000004653667 570804546 /nfs/dbraw/zinc/80/45/46/570804546.db2.gz NVQCQCLYCXRJFG-MRXNPFEDSA-N 0 0 379.413 2.350 40 5 GEBBRN COC(=O)C[C@@H](C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])N1CCCCCC1 ZINC000004653668 570804650 /nfs/dbraw/zinc/80/46/50/570804650.db2.gz NVQCQCLYCXRJFG-INIZCTEOSA-N 0 0 379.413 2.350 40 5 GEBBRN CCOC(=O)C1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000103628678 570887383 /nfs/dbraw/zinc/88/73/83/570887383.db2.gz SNYUSMBJIXGQOA-IDHHARJASA-N 0 0 393.392 2.388 40 5 GEBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000408536652 231053564 /nfs/dbraw/zinc/05/35/64/231053564.db2.gz WZUHXXQCLJNCFB-UHFFFAOYSA-N 0 0 383.364 2.266 40 5 GEBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O ZINC000408685341 231095016 /nfs/dbraw/zinc/09/50/16/231095016.db2.gz PCSUTSUFOSDKHJ-UHFFFAOYSA-N 0 0 398.331 2.209 40 5 GEBBRN COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000408660015 231091977 /nfs/dbraw/zinc/09/19/77/231091977.db2.gz WGUTUJKFTKTYIM-AWEZNQCLSA-N 0 0 398.371 2.382 40 5 GEBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000006402382 206650498 /nfs/dbraw/zinc/65/04/98/206650498.db2.gz ZQUUFLXWRMEPPV-QPJJXVBHSA-N 0 0 383.389 2.291 40 5 GEBBRN O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1cccc([N+](=O)[O-])c1 ZINC000022609022 207257077 /nfs/dbraw/zinc/25/70/77/207257077.db2.gz PIBUFRRDCDVBPB-UHFFFAOYSA-N 0 0 376.254 2.355 40 5 GEBBRN Cc1c(C(=O)N2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)cccc1[N+](=O)[O-] ZINC000306130756 209098724 /nfs/dbraw/zinc/09/87/24/209098724.db2.gz JOPMNCBBXKNRRK-FQEVSTJZSA-N 0 0 397.435 2.073 40 5 GEBBRN COc1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220402971 208861106 /nfs/dbraw/zinc/86/11/06/208861106.db2.gz DHTMCBUGIDMHSX-GFCCVEGCSA-N 0 0 393.421 2.397 40 5 GEBBRN COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC ZINC000408569380 533147682 /nfs/dbraw/zinc/14/76/82/533147682.db2.gz WHNJHKXDMSKSMI-CYFNAFFESA-N 0 0 383.404 2.226 40 5 GEBBRN COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC ZINC000408569383 533147801 /nfs/dbraw/zinc/14/78/01/533147801.db2.gz WHNJHKXDMSKSMI-YHJVDBJQSA-N 0 0 383.404 2.226 40 5 GEBBRN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000575419992 570307366 /nfs/dbraw/zinc/30/73/66/570307366.db2.gz CDZHCWZHBQMHTM-MRXNPFEDSA-N 0 0 389.433 2.124 40 5 GEBBRN NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000016383429 570376508 /nfs/dbraw/zinc/37/65/08/570376508.db2.gz ZMNDTQTZGKZFEO-UHFFFAOYSA-N 0 0 376.350 2.404 40 5 GEBBRN Cn1c(=O)nc2n(-c3ccc(N4CCOCC4)cc3)c3ccccc3cc-2c1=O ZINC000059497822 570659048 /nfs/dbraw/zinc/65/90/48/570659048.db2.gz MBTMKAONNHKUJH-UHFFFAOYSA-N 0 0 388.427 2.026 40 5 GEBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-] ZINC000006387664 570744052 /nfs/dbraw/zinc/74/40/52/570744052.db2.gz PKJLRIRVPDYGOE-UHFFFAOYSA-N 0 0 388.405 2.219 40 5 GEBBRN CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000224759421 570962516 /nfs/dbraw/zinc/96/25/16/570962516.db2.gz ITLIGPIXYPRAJE-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN COc1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220400937 571032831 /nfs/dbraw/zinc/03/28/31/571032831.db2.gz YWQCWSNIMXJCBX-LBPRGKRZSA-N 0 0 393.421 2.397 40 5 GEBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NCCO)n1 ZINC000329063393 231047769 /nfs/dbraw/zinc/04/77/69/231047769.db2.gz XDUHUIDNFFUJSE-UHFFFAOYSA-N 0 0 386.799 2.092 40 5 GEBBRN COc1c(Cl)cc(Cl)cc1/C=C/c1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C ZINC000004169127 531510003 /nfs/dbraw/zinc/51/00/03/531510003.db2.gz VQGUQFMMFJDMSA-SNAWJCMRSA-N 0 0 386.191 2.478 40 5 GEBBRN O=C(CNC(=O)c1ccc(Br)o1)OCc1ccc([N+](=O)[O-])cc1 ZINC000006108138 531522760 /nfs/dbraw/zinc/52/27/60/531522760.db2.gz GJPXNCFWIVNGKV-UHFFFAOYSA-N 0 0 383.154 2.424 40 5 GEBBRN NC(=O)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000006392540 531526178 /nfs/dbraw/zinc/52/61/78/531526178.db2.gz XTTOVUDFJVABMT-UHFFFAOYSA-N 0 0 378.797 2.474 40 5 GEBBRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)N1CCOCC1 ZINC000001376039 209323508 /nfs/dbraw/zinc/32/35/08/209323508.db2.gz XABDPXZZLJXIPG-UHFFFAOYSA-N 0 0 376.394 2.084 40 5 GEBBRN COc1ccc([C@H](C[N+](=O)[O-])c2c(NC(C)=O)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000000938779 209280215 /nfs/dbraw/zinc/28/02/15/209280215.db2.gz PGRCFMRWOBYMND-ZWKOTPCHSA-N 0 0 396.403 2.168 40 5 GEBBRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222781204 211809820 /nfs/dbraw/zinc/80/98/20/211809820.db2.gz XDQWIYAHDBFWQR-CQSZACIVSA-N 0 0 385.420 2.309 40 5 GEBBRN Cc1c(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000222714466 211808927 /nfs/dbraw/zinc/80/89/27/211808927.db2.gz JDELJNJFYLGECN-INIZCTEOSA-N 0 0 377.422 2.474 40 5 GEBBRN COc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016576974 211217464 /nfs/dbraw/zinc/21/74/64/211217464.db2.gz DKXSHLFCACZDJP-GFCCVEGCSA-N 0 0 394.405 2.186 40 5 GEBBRN COc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)c1OC ZINC000056105261 210891263 /nfs/dbraw/zinc/89/12/63/210891263.db2.gz MTFKBTBZFFWDTR-UHFFFAOYSA-N 0 0 396.421 2.408 40 5 GEBBRN COc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000408550473 532977778 /nfs/dbraw/zinc/97/77/78/532977778.db2.gz CSSYMSWFWCPPPE-UHFFFAOYSA-N 0 0 384.436 2.360 40 5 GEBBRN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409024261 533376204 /nfs/dbraw/zinc/37/62/04/533376204.db2.gz IRVFTVWDXAAETB-UHFFFAOYSA-N 0 0 397.840 2.331 40 5 GEBBRN COc1cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000066013591 136164341 /nfs/dbraw/zinc/16/43/41/136164341.db2.gz MIMHXHSVVYPNOT-UHFFFAOYSA-N 0 0 389.383 2.470 40 5 GEBBRN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223848683 570327142 /nfs/dbraw/zinc/32/71/42/570327142.db2.gz NFLSPLSVMAUECU-LLVKDONJSA-N 0 0 384.435 2.038 40 5 GEBBRN CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 ZINC000408627634 570387934 /nfs/dbraw/zinc/38/79/34/570387934.db2.gz MVERLBMXWFRPKZ-UHFFFAOYSA-N 0 0 376.457 2.126 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC000010333617 570569219 /nfs/dbraw/zinc/56/92/19/570569219.db2.gz OSLQYKJWBQBPNC-UHFFFAOYSA-N 0 0 391.449 2.328 40 5 GEBBRN O=C(N/C(=C\c1ccccc1F)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000013562213 570656789 /nfs/dbraw/zinc/65/67/89/570656789.db2.gz BJRMHNXVAHPVKT-AQTBWJFISA-N 0 0 399.378 2.364 40 5 GEBBRN O=C(Cn1ccc([N+](=O)[O-])n1)/N=c1/sccn1Cc1ccccc1Cl ZINC000036398429 570670102 /nfs/dbraw/zinc/67/01/02/570670102.db2.gz MCIXNDIDHIXKFJ-BMRADRMJSA-N 0 0 377.813 2.484 40 5 GEBBRN CCOC(=O)C1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](O)(C(C)(C)C)C1 ZINC000001100263 570753404 /nfs/dbraw/zinc/75/34/04/570753404.db2.gz HAMRJJLVQSFKLT-GOSISDBHSA-N 0 0 377.397 2.023 40 5 GEBBRN COC(=O)[C@@]1(N2CCOCC2)CC[C@@H]([C@H](c2ccccc2)[C@H](C)[N+](=O)[O-])C1 ZINC000034895332 570807361 /nfs/dbraw/zinc/80/73/61/570807361.db2.gz GVASIQUISVGKAV-ZNWBIBPKSA-N 0 0 376.453 2.480 40 5 GEBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000224810196 570972463 /nfs/dbraw/zinc/97/24/63/570972463.db2.gz HTPUWLAZDLSOPT-UHFFFAOYSA-N 0 0 382.394 2.446 40 5 GEBBRN CCN1C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C1=O ZINC000019169178 210228939 /nfs/dbraw/zinc/22/89/39/210228939.db2.gz JZXOZUCDOARDIL-BZSNNMDCSA-N 0 0 380.404 2.030 40 5 GEBBRN O=c1c([N+](=O)[O-])c(C=Cc2ccc(O)c(Br)c2)[nH]c2ncnn21 ZINC000016384236 210189793 /nfs/dbraw/zinc/18/97/93/210189793.db2.gz NAFVQGNYCZFTJZ-HNQUOIGGSA-N 0 0 378.142 2.377 40 5 GEBBRN O=c1cc(O)nc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000016383351 210188696 /nfs/dbraw/zinc/18/86/96/210188696.db2.gz WRZQGSAEIWFFGE-UHFFFAOYSA-N 0 0 378.244 2.462 40 5 GEBBRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000013582914 210071545 /nfs/dbraw/zinc/07/15/45/210071545.db2.gz OAYXNDGLRPAYNV-UHFFFAOYSA-N 0 0 379.394 2.252 40 5 GEBBRN Cn1c([N+](=O)[O-])cnc1COc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1 ZINC000013207587 210054165 /nfs/dbraw/zinc/05/41/65/210054165.db2.gz LRCPYHGIRUNEPU-UHFFFAOYSA-N 0 0 388.340 2.128 40 5 GEBBRN C[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000329016905 209156933 /nfs/dbraw/zinc/15/69/33/209156933.db2.gz NKCTWYTUCHOSNW-AWEZNQCLSA-N 0 0 379.420 2.300 40 5 GEBBRN COc1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220400884 211785104 /nfs/dbraw/zinc/78/51/04/211785104.db2.gz YWQCWSNIMXJCBX-GFCCVEGCSA-N 0 0 393.421 2.397 40 5 GEBBRN CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000113879598 211468893 /nfs/dbraw/zinc/46/88/93/211468893.db2.gz WDKVJJCARHAORZ-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)O2 ZINC000038853971 210758966 /nfs/dbraw/zinc/75/89/66/210758966.db2.gz JZKUPIUPWQDLSL-INIZCTEOSA-N 0 0 391.405 2.069 40 5 GEBBRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000006153705 534221077 /nfs/dbraw/zinc/22/10/77/534221077.db2.gz KZSDWGHXZPJCIO-UHFFFAOYSA-N 0 0 385.376 2.470 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000006570957 570480177 /nfs/dbraw/zinc/48/01/77/570480177.db2.gz NOWLMWJCDCXRDU-UHFFFAOYSA-N 0 0 375.362 2.459 40 5 GEBBRN CCc1nnc(-n2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)[nH]1 ZINC000040399143 570602785 /nfs/dbraw/zinc/60/27/85/570602785.db2.gz VLPCRBJNNLWCKA-UHFFFAOYSA-N 0 0 376.420 2.496 40 5 GEBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1CCCN1[C@@H]2c1ccc(F)cc1 ZINC000102698151 570857308 /nfs/dbraw/zinc/85/73/08/570857308.db2.gz RAQYNQFIWWMULJ-KZNAEPCWSA-N 0 0 396.378 2.270 40 5 GEBBRN O=C1[C@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccccc1 ZINC000019169311 210229983 /nfs/dbraw/zinc/22/99/83/210229983.db2.gz UWTUKTLYENKTAQ-KURKYZTESA-N 0 0 378.388 2.130 40 5 GEBBRN O=C1[C@@H]2[C@H](c3ccc(F)cc3)N3CCCN3[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000019169765 210229721 /nfs/dbraw/zinc/22/97/21/210229721.db2.gz KHSDFBUCFIUFGJ-SQNIBIBYSA-N 0 0 396.378 2.270 40 5 GEBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1CCCN1[C@@H]2c1ccccc1 ZINC000019169134 210228979 /nfs/dbraw/zinc/22/89/79/210228979.db2.gz OISCIFNOFLVLJI-KURKYZTESA-N 0 0 378.388 2.130 40 5 GEBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169600 210228677 /nfs/dbraw/zinc/22/86/77/210228677.db2.gz YNWBRRBQCXJGCX-QYZOEREBSA-N 0 0 392.415 2.439 40 5 GEBBRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000016250183 210187542 /nfs/dbraw/zinc/18/75/42/210187542.db2.gz PWIHXCVEDXCAFE-UHFFFAOYSA-N 0 0 393.421 2.171 40 5 GEBBRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000013682249 210079913 /nfs/dbraw/zinc/07/99/13/210079913.db2.gz JECPKTZKDRSYIL-MRXNPFEDSA-N 0 0 391.405 2.151 40 5 GEBBRN Cc1c(Nc2cc(-c3ccccn3)nc(NCCCO)n2)cccc1[N+](=O)[O-] ZINC000329061686 209159330 /nfs/dbraw/zinc/15/93/30/209159330.db2.gz WSOMLVFQOJEHSB-UHFFFAOYSA-N 0 0 380.408 2.137 40 5 GEBBRN COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000022001712 210403417 /nfs/dbraw/zinc/40/34/17/210403417.db2.gz NCUCGYYHUFIYNU-QGZVFWFLSA-N 0 0 388.376 2.135 40 5 world GEBBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O ZINC000409067890 533200561 /nfs/dbraw/zinc/20/05/61/533200561.db2.gz ROSDMLMAFJEVEY-UVDXRHSJSA-N 0 0 396.377 2.210 40 5 GEBBRN COc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000409257512 533574081 /nfs/dbraw/zinc/57/40/81/533574081.db2.gz SDPREMQLIDJDFX-UHFFFAOYSA-N 0 0 393.421 2.317 40 5 GEBBRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408588095 528583820 /nfs/dbraw/zinc/58/38/20/528583820.db2.gz CFTOPYZHDJDJQQ-LBPRGKRZSA-N 0 0 393.421 2.299 40 5 GEBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O ZINC000408917409 528807940 /nfs/dbraw/zinc/80/79/40/528807940.db2.gz UBOMKSDNNAOODF-AWNIVKPZSA-N 0 0 396.377 2.211 40 5 GEBBRN COc1ccccc1N1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026781513 570437459 /nfs/dbraw/zinc/43/74/59/570437459.db2.gz OMKPBEYCDIHBEY-QGZVFWFLSA-N 0 0 387.436 2.165 40 5 GEBBRN COc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O ZINC000220025169 570603638 /nfs/dbraw/zinc/60/36/38/570603638.db2.gz XODUFNCMDUDJQB-UHFFFAOYSA-N 0 0 393.421 2.317 40 5 GEBBRN Cc1ccccc1CNC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220405144 571033644 /nfs/dbraw/zinc/03/36/44/571033644.db2.gz MZFDNLDHQPXLDL-AWEZNQCLSA-N 0 0 391.449 2.374 40 5 GEBBRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408553125 231058110 /nfs/dbraw/zinc/05/81/10/231058110.db2.gz OBECJHLMFSYEJQ-LBPRGKRZSA-N 0 0 393.421 2.217 40 5 GEBBRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408593364 529918026 /nfs/dbraw/zinc/91/80/26/529918026.db2.gz MMFHUVBVOQOMNG-LBPRGKRZSA-N 0 0 393.421 2.217 40 5 GEBBRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015358906 210156509 /nfs/dbraw/zinc/15/65/09/210156509.db2.gz DQTRTAOQLKAYEU-LLVKDONJSA-N 0 0 384.435 2.038 40 5 GEBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000015390132 210155614 /nfs/dbraw/zinc/15/56/14/210155614.db2.gz BKUKDHHTBFCAEU-UHFFFAOYSA-N 0 0 379.394 2.106 40 5 GEBBRN COc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000008059597 209760794 /nfs/dbraw/zinc/76/07/94/209760794.db2.gz CQSIWTWWWDJXCZ-UHFFFAOYSA-N 0 0 382.394 2.099 40 5 GEBBRN CCS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000222621489 532485053 /nfs/dbraw/zinc/48/50/53/532485053.db2.gz IMVLSKQBMMPCCL-UHFFFAOYSA-N 0 0 375.834 2.248 40 5 GEBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 ZINC000010153353 211637402 /nfs/dbraw/zinc/63/74/02/211637402.db2.gz FXWQMBHOZSZEHU-AWEZNQCLSA-N 0 0 378.348 2.375 40 5 GEBBRN O=C(CN(C(=O)c1csnn1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000004964813 211558143 /nfs/dbraw/zinc/55/81/43/211558143.db2.gz FQOPIGIMFLPATF-UHFFFAOYSA-N 0 0 397.416 2.410 40 5 GEBBRN CC(=O)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1[N+](=O)[O-] ZINC000408916753 527118606 /nfs/dbraw/zinc/11/86/06/527118606.db2.gz GYQAHKMDCBGRLK-SXGWCWSVSA-N 0 0 381.369 2.290 40 5 GEBBRN CCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000409110378 528385166 /nfs/dbraw/zinc/38/51/66/528385166.db2.gz VNNVNTAJVGEELO-UHFFFAOYSA-N 0 0 377.422 2.316 40 5 GEBBRN Cc1c(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000223544042 570312507 /nfs/dbraw/zinc/31/25/07/570312507.db2.gz LOSSWOQVRUZYHD-UHFFFAOYSA-N 0 0 395.412 2.443 40 5 GEBBRN O=C(NC1CCN(C(=S)NCc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000004888692 570354386 /nfs/dbraw/zinc/35/43/86/570354386.db2.gz KGBFPYAABPTDKD-UHFFFAOYSA-N 0 0 388.449 2.457 40 5 GEBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1CCCCC1 ZINC000005008311 570393365 /nfs/dbraw/zinc/39/33/65/570393365.db2.gz QTWZPFHRCIBLJF-UHFFFAOYSA-N 0 0 391.453 2.407 40 5 GEBBRN COc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 ZINC000220023857 570603959 /nfs/dbraw/zinc/60/39/59/570603959.db2.gz DYGAUVMNSBLCDE-UHFFFAOYSA-N 0 0 393.421 2.317 40 5 GEBBRN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)N(C)C ZINC000223247570 570983218 /nfs/dbraw/zinc/98/32/18/570983218.db2.gz PWEULARPZPDUJV-UHFFFAOYSA-N 0 0 393.421 2.171 40 5 GEBBRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000016691889 210195255 /nfs/dbraw/zinc/19/52/55/210195255.db2.gz RWQYZPNPPZLGQC-UHFFFAOYSA-N 0 0 393.421 2.253 40 5 GEBBRN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408593605 529895271 /nfs/dbraw/zinc/89/52/71/529895271.db2.gz MPYNZWHAZNNWJF-GFCCVEGCSA-N 0 0 393.421 2.217 40 5 GEBBRN C[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000004156691 531510513 /nfs/dbraw/zinc/51/05/13/531510513.db2.gz JBSZXUDUTUYYNU-FUTJPDQTSA-N 0 0 379.166 2.190 40 5 GEBBRN CC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000017076918 531571831 /nfs/dbraw/zinc/57/18/31/531571831.db2.gz KMPUMOSIOWRKQM-UHFFFAOYSA-N 0 0 376.360 2.157 40 5 GEBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000000896798 209277730 /nfs/dbraw/zinc/27/77/30/209277730.db2.gz REEIIVVVKAFBGV-XHSDSOJGSA-N 0 0 377.466 2.113 40 5 GEBBRN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000002796335 212062407 /nfs/dbraw/zinc/06/24/07/212062407.db2.gz BSUAXSQJKQNKGH-UHFFFAOYSA-N 0 0 379.376 2.499 40 5 GEBBRN C[C@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000329044998 209156902 /nfs/dbraw/zinc/15/69/02/209156902.db2.gz SZWZUFGUPUFMGI-CQSZACIVSA-N 0 0 379.420 2.300 40 5 GEBBRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000223293340 211826636 /nfs/dbraw/zinc/82/66/36/211826636.db2.gz PYPZZKOTZNOZPK-BJMVGYQFSA-N 0 0 375.406 2.463 40 5 GEBBRN COc1cc(OC)cc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000408628437 533064854 /nfs/dbraw/zinc/06/48/54/533064854.db2.gz TUAGEJBUOMPXLO-UHFFFAOYSA-N 0 0 376.394 2.243 40 5 GEBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000409025475 533072169 /nfs/dbraw/zinc/07/21/69/533072169.db2.gz VNTARNJTJNKQLQ-CYBMUJFWSA-N 0 0 377.422 2.238 40 5 GEBBRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000020245712 210324608 /nfs/dbraw/zinc/32/46/08/210324608.db2.gz FPPAEQWMNNUULW-UHFFFAOYSA-N 0 0 378.410 2.090 40 5 GEBBRN O=C(CN1C(=O)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1F ZINC000409216769 534511399 /nfs/dbraw/zinc/51/13/99/534511399.db2.gz LKILKQKANAYZRE-NTEUORMPSA-N 0 0 384.323 2.265 40 5 GEBBRN CC(C)OC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O ZINC000106754231 527792895 /nfs/dbraw/zinc/79/28/95/527792895.db2.gz MWJDRQUWQHAIAF-PQMHYQBVSA-N 0 0 394.361 2.311 40 5 GEBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nn2cnnc2)c1 ZINC000014405912 570310612 /nfs/dbraw/zinc/31/06/12/570310612.db2.gz SGERXGXHGBNTSK-BQYQJAHWSA-N 0 0 378.348 2.222 40 5 GEBBRN O=C(NC(=S)Nc1ncccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408629113 570387559 /nfs/dbraw/zinc/38/75/59/570387559.db2.gz ZMKGFRWWAMIUEK-UHFFFAOYSA-N 0 0 387.421 2.422 40 5 GEBBRN CCOC(=O)c1cnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc1N ZINC000024762618 570406810 /nfs/dbraw/zinc/40/68/10/570406810.db2.gz WBLDOSDPENGLBG-UHFFFAOYSA-N 0 0 391.409 2.183 40 5 GEBBRN O=C1N[C@@H](c2ccc([N+](=O)[O-])o2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000005445109 570594252 /nfs/dbraw/zinc/59/42/52/570594252.db2.gz ZTTWTEHYVSFHSW-SLEUVZQESA-N 0 0 399.281 2.292 40 5 GEBBRN COCc1n[nH]c(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)n1 ZINC000040398979 570602403 /nfs/dbraw/zinc/60/24/03/570602403.db2.gz JVVHAECWGVBRNH-UHFFFAOYSA-N 0 0 394.435 2.011 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cnccn2)n1C ZINC000022145569 570800017 /nfs/dbraw/zinc/80/00/17/570800017.db2.gz ODBYHWPKFYZETK-UHFFFAOYSA-N 0 0 385.409 2.220 40 5 GEBBRN COC(=O)[C@@]1(N2CCOCC2)CC[C@@H]([C@@H](c2ccccc2)[C@H](C)[N+](=O)[O-])C1 ZINC000034895334 570807304 /nfs/dbraw/zinc/80/73/04/570807304.db2.gz GVASIQUISVGKAV-ZCDKGFTFSA-N 0 0 376.453 2.480 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000044842637 570978523 /nfs/dbraw/zinc/97/85/23/570978523.db2.gz VQRGAKKYGLRIGP-UHFFFAOYSA-N 0 0 395.412 2.125 40 5 GEBBRN Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000409118722 231165079 /nfs/dbraw/zinc/16/50/79/231165079.db2.gz PXRAROUCXPGOEI-UHFFFAOYSA-N 0 0 377.422 2.437 40 5 GEBBRN CCn1c(SCC(=O)Nc2ncccn2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409124351 231166925 /nfs/dbraw/zinc/16/69/25/231166925.db2.gz BODPTKNYPBRFRJ-UHFFFAOYSA-N 0 0 385.409 2.394 40 5 GEBBRN CCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000016681870 210192914 /nfs/dbraw/zinc/19/29/14/210192914.db2.gz SMECPORTQJGKRB-UHFFFAOYSA-N 0 0 379.394 2.154 40 5 GEBBRN CCOC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000016183402 531570266 /nfs/dbraw/zinc/57/02/66/531570266.db2.gz BVHMGXIZPGGYNJ-UHFFFAOYSA-N 0 0 376.818 2.212 40 5 GEBBRN CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)(F)F)n1N ZINC000078406514 209218230 /nfs/dbraw/zinc/21/82/30/209218230.db2.gz WUQYBDBWXUQLEQ-UHFFFAOYSA-N 0 0 377.304 2.247 40 5 GEBBRN CCOC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1 ZINC000078406474 209217437 /nfs/dbraw/zinc/21/74/37/209217437.db2.gz SHEZUBQCPAEFKQ-UHFFFAOYSA-N 0 0 377.304 2.247 40 5 GEBBRN O=[N+]([O-])c1cnn(Cc2cc(-c3nnc(-c4ccc5c(c4)OCCO5)o3)no2)c1 ZINC000066088583 212076020 /nfs/dbraw/zinc/07/60/20/212076020.db2.gz IEQZDUPGOKPNSQ-UHFFFAOYSA-N 0 0 396.319 2.316 40 5 GEBBRN COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224781018 211873009 /nfs/dbraw/zinc/87/30/09/211873009.db2.gz OBRYDLANQQVACR-UHFFFAOYSA-N 0 0 382.369 2.411 40 5 GEBBRN C[C@H](C(=O)N(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220398532 211784911 /nfs/dbraw/zinc/78/49/11/211784911.db2.gz GUEWNPYXQCBYLT-CQSZACIVSA-N 0 0 391.449 2.408 40 5 GEBBRN C[C@@H](C(=O)NCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220398633 211783818 /nfs/dbraw/zinc/78/38/18/211783818.db2.gz KBJJHHKMTVNJLN-AWEZNQCLSA-N 0 0 391.449 2.108 40 5 GEBBRN CC(C)N1C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C1=O ZINC000100900465 211392860 /nfs/dbraw/zinc/39/28/60/211392860.db2.gz DUGBMWGIDZFZEO-FHWLQOOXSA-N 0 0 394.431 2.418 40 5 GEBBRN COc1ccc(O)c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000408624253 534202960 /nfs/dbraw/zinc/20/29/60/534202960.db2.gz BVPDMLPLZUDSCN-UHFFFAOYSA-N 0 0 377.378 2.444 40 5 GEBBRN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O ZINC000408687759 534750805 /nfs/dbraw/zinc/75/08/05/534750805.db2.gz UXWCRADAVMIANK-UHFFFAOYSA-N 0 0 398.331 2.209 40 5 GEBBRN O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F ZINC000000871853 570294429 /nfs/dbraw/zinc/29/44/29/570294429.db2.gz AUULDMOCHFKMTJ-HNNXBMFYSA-N 0 0 380.282 2.491 40 5 GEBBRN Cc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1[N+](=O)[O-] ZINC000223762391 570325920 /nfs/dbraw/zinc/32/59/20/570325920.db2.gz DUWJWJGRAFLJGC-UHFFFAOYSA-N 0 0 380.407 2.493 40 5 GEBBRN COc1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000223770602 570326049 /nfs/dbraw/zinc/32/60/49/570326049.db2.gz PFEGOUQGVWNCRE-UHFFFAOYSA-N 0 0 390.377 2.132 40 5 GEBBRN COC(=O)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000006348447 570360704 /nfs/dbraw/zinc/36/07/04/570360704.db2.gz XOBMKDIRFBRLAE-UHFFFAOYSA-N 0 0 380.378 2.256 40 5 GEBBRN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000408618276 570387375 /nfs/dbraw/zinc/38/73/75/570387375.db2.gz FOLNCGCVQAZJJH-UHFFFAOYSA-N 0 0 375.406 2.478 40 5 GEBBRN NN=c1nc(Nc2cccc([N+](=O)[O-])c2)[nH]c(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000001951267 570450918 /nfs/dbraw/zinc/45/09/18/570450918.db2.gz HCZUWLHPQFWDKH-UHFFFAOYSA-N 0 0 383.328 2.461 40 5 GEBBRN O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000005604138 570667230 /nfs/dbraw/zinc/66/72/30/570667230.db2.gz APOPFDGABOCOEO-UHFFFAOYSA-N 0 0 389.433 2.413 40 5 GEBBRN COC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017078651 570926579 /nfs/dbraw/zinc/92/65/79/570926579.db2.gz AASXWQUGSQWYJS-UHFFFAOYSA-N 0 0 385.376 2.470 40 5 GEBBRN Cc1ccccc1CNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220405080 571033813 /nfs/dbraw/zinc/03/38/13/571033813.db2.gz MZFDNLDHQPXLDL-CQSZACIVSA-N 0 0 391.449 2.374 40 5 GEBBRN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000015358924 210155721 /nfs/dbraw/zinc/15/57/21/210155721.db2.gz HPLUTOYZLYBBMS-LLVKDONJSA-N 0 0 384.435 2.038 40 5 GEBBRN CNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000013680481 210077735 /nfs/dbraw/zinc/07/77/35/210077735.db2.gz WACDASRUZFBFJV-UHFFFAOYSA-N 0 0 379.394 2.072 40 5 GEBBRN O=C(Nc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000001575157 209333855 /nfs/dbraw/zinc/33/38/55/209333855.db2.gz ZECVYBACNYFDAJ-UHFFFAOYSA-N 0 0 397.307 2.126 40 5 GEBBRN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000000826028 209268939 /nfs/dbraw/zinc/26/89/39/209268939.db2.gz NFMRQNXDHKPVPB-UHFFFAOYSA-N 0 0 384.797 2.270 40 5 GEBBRN Cn1c(=O)nc2n(-c3cccc([N+](=O)[O-])c3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000041076621 212041089 /nfs/dbraw/zinc/04/10/89/212041089.db2.gz ZEBJJVLESYJWOI-UHFFFAOYSA-N 0 0 393.315 2.006 40 5 GEBBRN C[C@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000329016907 209158292 /nfs/dbraw/zinc/15/82/92/209158292.db2.gz NKCTWYTUCHOSNW-CQSZACIVSA-N 0 0 379.420 2.300 40 5 GEBBRN COc1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220403052 211784665 /nfs/dbraw/zinc/78/46/65/211784665.db2.gz DHTMCBUGIDMHSX-LBPRGKRZSA-N 0 0 393.421 2.397 40 5 GEBBRN Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCO1 ZINC000000887415 211494486 /nfs/dbraw/zinc/49/44/86/211494486.db2.gz IXKFOECECZQMMJ-AWEZNQCLSA-N 0 0 377.426 2.405 40 5 GEBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000020495730 210342178 /nfs/dbraw/zinc/34/21/78/210342178.db2.gz PLRDJCRBTIZOQB-UHFFFAOYSA-N 0 0 379.413 2.386 40 5 GEBBRN Cc1ccc(CN(C)C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000020494256 210341855 /nfs/dbraw/zinc/34/18/55/210341855.db2.gz ASWJCTUSPLPORZ-UHFFFAOYSA-N 0 0 391.449 2.328 40 5 GEBBRN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000408614122 533377089 /nfs/dbraw/zinc/37/70/89/533377089.db2.gz YPCLHIBNMMQPBF-UHFFFAOYSA-N 0 0 381.385 2.134 40 5 GEBBRN O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000575419942 570307220 /nfs/dbraw/zinc/30/72/20/570307220.db2.gz BJVCNOCFQVPRDP-INIZCTEOSA-N 0 0 389.433 2.124 40 5 GEBBRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000006281281 570360292 /nfs/dbraw/zinc/36/02/92/570360292.db2.gz ZNNLIZDJXLTPQS-UHFFFAOYSA-N 0 0 393.421 2.171 40 5 GEBBRN O=C(NC(=S)Nc1nccs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000408627758 570388184 /nfs/dbraw/zinc/38/81/84/570388184.db2.gz NLBWFHBKCKJGBO-UHFFFAOYSA-N 0 0 393.450 2.015 40 5 GEBBRN CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000408629293 570388576 /nfs/dbraw/zinc/38/85/76/570388576.db2.gz VRNXDMAERPWMMQ-UHFFFAOYSA-N 0 0 398.419 2.281 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000224192319 570436559 /nfs/dbraw/zinc/43/65/59/570436559.db2.gz MQKGTEUNSWZMDX-INIZCTEOSA-N 0 0 393.421 2.175 40 5 GEBBRN O=c1/c(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 ZINC000006694794 570537521 /nfs/dbraw/zinc/53/75/21/570537521.db2.gz OBWSRAKQFAKQGL-YBEGLDIGSA-N 0 0 399.453 2.450 40 5 GEBBRN O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2n1CCN=2 ZINC000005553035 570636692 /nfs/dbraw/zinc/63/66/92/570636692.db2.gz VUQGXQSIKWTYIR-RIYZIHGNSA-N 0 0 375.793 2.193 40 5 GEBBRN COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000409027542 570694475 /nfs/dbraw/zinc/69/44/75/570694475.db2.gz KILARFZPMJNENZ-UHFFFAOYSA-N 0 0 379.394 2.008 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000224766880 570966290 /nfs/dbraw/zinc/96/62/90/570966290.db2.gz GLFNLHNXLZLEKF-INIZCTEOSA-N 0 0 377.422 2.474 40 5 GEBBRN COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000408660019 231092172 /nfs/dbraw/zinc/09/21/72/231092172.db2.gz WGUTUJKFTKTYIM-CQSZACIVSA-N 0 0 398.371 2.382 40 5 GEBBRN C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000409025477 231148528 /nfs/dbraw/zinc/14/85/28/231148528.db2.gz VNTARNJTJNKQLQ-ZDUSSCGKSA-N 0 0 377.422 2.238 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000015358916 210157244 /nfs/dbraw/zinc/15/72/44/210157244.db2.gz MMMGYEREKANRPC-GFCCVEGCSA-N 0 0 398.462 2.346 40 5 GEBBRN [O-][n+]1c2[nH]c3ccccc3c2[n+]([O-])c2cc(I)ccc21 ZINC000001713816 209336336 /nfs/dbraw/zinc/33/63/36/209336336.db2.gz JAFVZRCRZJEVER-UHFFFAOYSA-N 0 0 377.141 2.346 40 5 GEBBRN C[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000329044996 209158188 /nfs/dbraw/zinc/15/81/88/209158188.db2.gz SZWZUFGUPUFMGI-AWEZNQCLSA-N 0 0 379.420 2.300 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 ZINC000222412326 211801237 /nfs/dbraw/zinc/80/12/37/211801237.db2.gz IULPRQMRFLJNLO-UHFFFAOYSA-N 0 0 379.394 2.252 40 5 GEBBRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000135686745 211485223 /nfs/dbraw/zinc/48/52/23/211485223.db2.gz IHMNGQJHMBVJPC-UHFFFAOYSA-N 0 0 377.422 2.383 40 5 GEBBRN C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000044900159 210815664 /nfs/dbraw/zinc/81/56/64/210815664.db2.gz HCAXLGAZPMPKSB-GFCCVEGCSA-N 0 0 395.412 2.377 40 5 GEBBRN Cc1c(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cccc1[N+](=O)[O-] ZINC000029602230 210550672 /nfs/dbraw/zinc/55/06/72/210550672.db2.gz CCUFWTNLBATFAH-UHFFFAOYSA-N 0 0 389.389 2.077 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020245796 210323498 /nfs/dbraw/zinc/32/34/98/210323498.db2.gz NVGSHKQVNXGNRS-UHFFFAOYSA-N 0 0 392.437 2.398 40 5 GEBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000133970813 136192973 /nfs/dbraw/zinc/19/29/73/136192973.db2.gz MRBHISUVHZQKGC-UHFFFAOYSA-N 0 0 379.413 2.386 40 5 GEBBRN COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408674453 534232653 /nfs/dbraw/zinc/23/26/53/534232653.db2.gz ZNDAGDWJCWFZMK-CYBMUJFWSA-N 0 0 384.344 2.340 40 5 GEBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(CO)o3)n2)c1 ZINC000015674845 560095829 /nfs/dbraw/zinc/09/58/29/560095829.db2.gz CVDPCBBUQFSNLL-CJNGLKHVSA-N 0 0 386.364 2.038 40 5 biogenic,in-vitro GEBBRN C[C@H](CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 ZINC000223775427 570326082 /nfs/dbraw/zinc/32/60/82/570326082.db2.gz FTGXQBHQMDVCJW-CQSZACIVSA-N 0 0 391.449 2.281 40 5 GEBBRN Cc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000408625791 570387525 /nfs/dbraw/zinc/38/75/25/570387525.db2.gz FQIXPJCSSDESKW-UHFFFAOYSA-N 0 0 375.366 2.443 40 5 GEBBRN O=c1[nH]c(=O)c2ccc3c(=O)n(-c4ccc(Cl)cc4)c(=O)c4ccc1c2c43 ZINC000002476571 570798188 /nfs/dbraw/zinc/79/81/88/570798188.db2.gz CNAPNZGKCAHALV-UHFFFAOYSA-N 0 0 376.755 2.235 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)c1ccccc1)S(C)(=O)=O ZINC000010286997 570817611 /nfs/dbraw/zinc/81/76/11/570817611.db2.gz IPCPPJLCWVLHJB-UHFFFAOYSA-N 0 0 377.422 2.332 40 5 GEBBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000205694105 570856974 /nfs/dbraw/zinc/85/69/74/570856974.db2.gz NBCMYTHSKDFCSO-MHWRWJLKSA-N 0 0 380.360 2.435 40 5 GEBBRN CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1cccnc1 ZINC000020051741 570940113 /nfs/dbraw/zinc/94/01/13/570940113.db2.gz USESEPOMODNGGB-UHFFFAOYSA-N 0 0 388.431 2.308 40 5 GEBBRN COc1ccc(OC[C@@H](C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000216424266 222576467 /nfs/dbraw/zinc/57/64/67/222576467.db2.gz HOMVUYAIUWNDQO-CYBMUJFWSA-N 0 0 380.422 2.490 40 5 GEBBRN COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1F)S(C)(=O)=O ZINC000113936736 231023222 /nfs/dbraw/zinc/02/32/22/231023222.db2.gz NRVXLFAEGZNWLD-UHFFFAOYSA-N 0 0 397.384 2.147 40 5 GEBBRN Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000408663711 231092576 /nfs/dbraw/zinc/09/25/76/231092576.db2.gz QHSDHHVZNZYSRQ-CQSZACIVSA-N 0 0 397.387 2.438 40 5 GEBBRN COCCN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O ZINC000006169793 531524258 /nfs/dbraw/zinc/52/42/58/531524258.db2.gz YCWJQVYESHWKIK-LCYFTJDESA-N 0 0 384.435 2.362 40 5 GEBBRN C[C@H]1CCCCN1C(=O)c1ccccc1S(=O)(=O)N1CCC([N+](=O)[O-])CC1 ZINC000001086623 212214897 /nfs/dbraw/zinc/21/48/97/212214897.db2.gz HZUOQHOCXDLFSU-AWEZNQCLSA-N 0 0 395.481 2.131 40 5 GEBBRN COc1ccc(Nc2cc(-c3ccccc3)nc(N[C@@H](C)CO)n2)c([N+](=O)[O-])c1 ZINC000328993741 212092193 /nfs/dbraw/zinc/09/21/93/212092193.db2.gz JASPFGGZCCFWRJ-ZDUSSCGKSA-N 0 0 395.419 2.441 40 5 GEBBRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000015359052 221335225 /nfs/dbraw/zinc/33/52/25/221335225.db2.gz LLNIQCVPQQWQJL-GFCCVEGCSA-N 0 0 398.462 2.346 40 5 GEBBRN O=C1[C@@H]2[C@H](c3ccccc3)N3CCCN3[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000019169138 221398949 /nfs/dbraw/zinc/39/89/49/221398949.db2.gz OISCIFNOFLVLJI-SQNIBIBYSA-N 0 0 378.388 2.130 40 5 GEBBRN Cc1c(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000020245800 221479968 /nfs/dbraw/zinc/47/99/68/221479968.db2.gz MBSBCOHTUAGXDJ-UHFFFAOYSA-N 0 0 392.437 2.398 40 5 GEBBRN O=C(CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000020798470 221512528 /nfs/dbraw/zinc/51/25/28/221512528.db2.gz SSSZXJCHBLIDBS-KRWDZBQOSA-N 0 0 379.372 2.429 40 5 GEBBRN COC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000408548935 533501766 /nfs/dbraw/zinc/50/17/66/533501766.db2.gz NSAOZKFVQKCYIF-ZSOIEALJSA-N 0 0 385.332 2.229 40 5 GEBBRN CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000049983435 222003106 /nfs/dbraw/zinc/00/31/06/222003106.db2.gz PNSMHZALGSMBRI-UHFFFAOYSA-N 0 0 385.442 2.273 40 5 GEBBRN COc1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1OC ZINC000066014088 222136570 /nfs/dbraw/zinc/13/65/70/222136570.db2.gz XLYHVIBUYBBXPZ-UHFFFAOYSA-N 0 0 390.392 2.358 40 5 GEBBRN O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCCC1=O)c1ccccc1 ZINC000408690161 534508244 /nfs/dbraw/zinc/50/82/44/534508244.db2.gz ZVVIHQODPZQJOY-UHFFFAOYSA-N 0 0 395.371 2.374 40 5 GEBBRN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000033537705 570369419 /nfs/dbraw/zinc/36/94/19/570369419.db2.gz TZVQKYXEICHGMV-QGZVFWFLSA-N 0 0 375.400 2.296 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC1CCCCC1)S(C)(=O)=O ZINC000224059541 570382504 /nfs/dbraw/zinc/38/25/04/570382504.db2.gz AYGCETSOJQPQHL-UHFFFAOYSA-N 0 0 383.470 2.366 40 5 GEBBRN CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3ccc([N+](=O)[O-])s3)C1)COC2 ZINC000248105585 570440322 /nfs/dbraw/zinc/44/03/22/570440322.db2.gz IPUTZXOCHFMSTG-KRWDZBQOSA-N 0 0 375.454 2.186 40 5 GEBBRN CCOC(=O)[C@@H](C(C)=O)[C@H](c1cccc([N+](=O)[O-])c1)[C@@H](C(C)=O)C(=O)OCC ZINC000248320127 570453020 /nfs/dbraw/zinc/45/30/20/570453020.db2.gz RQVPXOCQDODINV-BJWYYQGGSA-N 0 0 393.392 2.215 40 5 GEBBRN O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(F)cc1 ZINC000102701582 570857339 /nfs/dbraw/zinc/85/73/39/570857339.db2.gz KHSDFBUCFIUFGJ-FGTMMUONSA-N 0 0 396.378 2.270 40 5 GEBBRN O=C(COc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000004071631 570929125 /nfs/dbraw/zinc/92/91/25/570929125.db2.gz IWVADMMKUSKQKW-MRXNPFEDSA-N 0 0 388.401 2.318 40 5 GEBBRN O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 ZINC000219435494 222595816 /nfs/dbraw/zinc/59/58/16/222595816.db2.gz DQIFVMKBISAXQF-UHFFFAOYSA-N 0 0 389.389 2.158 40 5 GEBBRN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223848738 222645634 /nfs/dbraw/zinc/64/56/34/222645634.db2.gz NFLSPLSVMAUECU-NSHDSACASA-N 0 0 384.435 2.038 40 5 GEBBRN NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000006392547 531526648 /nfs/dbraw/zinc/52/66/48/531526648.db2.gz VQCHTOTVECCOQZ-UHFFFAOYSA-N 0 0 378.797 2.474 40 5 GEBBRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000222612411 532485791 /nfs/dbraw/zinc/48/57/91/532485791.db2.gz HPKRDCTZYGBZJL-SNVBAGLBSA-N 0 0 375.834 2.248 40 5 GEBBRN COc1ccc([C@@H](C[N+](=O)[O-])c2c(NC(C)=O)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000000938781 212197057 /nfs/dbraw/zinc/19/70/57/212197057.db2.gz PGRCFMRWOBYMND-QZTJIDSGSA-N 0 0 396.403 2.168 40 5 GEBBRN Cc1c(Nc2cc(-c3cccnc3)nc(N[C@@H](C)CO)n2)cccc1[N+](=O)[O-] ZINC000329029724 212093915 /nfs/dbraw/zinc/09/39/15/212093915.db2.gz QAKQHFVNPPKMPG-LBPRGKRZSA-N 0 0 380.408 2.135 40 5 GEBBRN Cc1c(Nc2cc(-c3ccccn3)nc(N[C@H](C)CO)n2)cccc1[N+](=O)[O-] ZINC000329005230 212092109 /nfs/dbraw/zinc/09/21/09/212092109.db2.gz KXAVZIJDUFCXNG-GFCCVEGCSA-N 0 0 380.408 2.135 40 5 GEBBRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408553123 533068130 /nfs/dbraw/zinc/06/81/30/533068130.db2.gz OBECJHLMFSYEJQ-GFCCVEGCSA-N 0 0 393.421 2.217 40 5 GEBBRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000015358907 221335156 /nfs/dbraw/zinc/33/51/56/221335156.db2.gz DQTRTAOQLKAYEU-NSHDSACASA-N 0 0 384.435 2.038 40 5 GEBBRN O=C(CCc1nc2ccccc2[nH]c1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016545168 221365487 /nfs/dbraw/zinc/36/54/87/221365487.db2.gz ZYVWCZOMRSXBDA-UHFFFAOYSA-N 0 0 381.344 2.190 40 5 GEBBRN COC(=O)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408582514 533563500 /nfs/dbraw/zinc/56/35/00/533563500.db2.gz CVFMBFIVOAYYFV-UHFFFAOYSA-N 0 0 380.378 2.256 40 5 GEBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102684384 222484275 /nfs/dbraw/zinc/48/42/75/222484275.db2.gz YNWBRRBQCXJGCX-CEXWTWQISA-N 0 0 392.415 2.439 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000408705611 534346802 /nfs/dbraw/zinc/34/68/02/534346802.db2.gz JWZLUELSTRCQQF-UHFFFAOYSA-N 0 0 399.450 2.100 40 5 GEBBRN CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225027229 528807328 /nfs/dbraw/zinc/80/73/28/528807328.db2.gz WRSAZWYWNDOAMQ-UHFFFAOYSA-N 0 0 382.369 2.492 40 5 GEBBRN NC1=C([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)c2c(=O)oc3ccccc3c2O1 ZINC000000808777 570483875 /nfs/dbraw/zinc/48/38/75/570483875.db2.gz OMYDHTDYEHHAJS-CQSZACIVSA-N 0 0 380.312 2.451 40 5 GEBBRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028207506 570529509 /nfs/dbraw/zinc/52/95/09/570529509.db2.gz GTBVQOVSFRRGBG-UHFFFAOYSA-N 0 0 393.421 2.171 40 5 GEBBRN O=C(COC(=O)CN1C[C@@H](c2ccccc2)CC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000004615099 570666849 /nfs/dbraw/zinc/66/68/49/570666849.db2.gz TZNMTLUUZYDORY-HNNXBMFYSA-N 0 0 397.387 2.093 40 5 GEBBRN Cc1cccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000013673562 570667081 /nfs/dbraw/zinc/66/70/81/570667081.db2.gz TXVYIPAZMLTJKH-UHFFFAOYSA-N 0 0 391.449 2.294 40 5 GEBBRN Cc1c(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000222714404 570752537 /nfs/dbraw/zinc/75/25/37/570752537.db2.gz JDELJNJFYLGECN-MRXNPFEDSA-N 0 0 377.422 2.474 40 5 GEBBRN O=C(CCc1nc2ccccc2[nH]c1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007343494 570831822 /nfs/dbraw/zinc/83/18/22/570831822.db2.gz CTBHUXNGXGQYMG-UHFFFAOYSA-N 0 0 381.344 2.190 40 5 GEBBRN COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224774652 222662389 /nfs/dbraw/zinc/66/23/89/222662389.db2.gz OJAWJMTZJFMHPT-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN CCOC(=O)[C@H](C(C)=O)C(c1ccc([N+](=O)[O-])cc1)[C@@H](C(C)=O)C(=O)OCC ZINC000001754397 212256050 /nfs/dbraw/zinc/25/60/50/212256050.db2.gz MTXHYIKVGUIRKV-HZPDHXFCSA-N 0 0 393.392 2.215 40 5 GEBBRN COc1ccc(OCc2nnc3n2c2ccccc2c(=O)n3C)c([N+](=O)[O-])c1 ZINC000012556448 212097469 /nfs/dbraw/zinc/09/74/69/212097469.db2.gz VPYAVNYGVKZPNW-UHFFFAOYSA-N 0 0 381.348 2.077 40 5 GEBBRN O=[N+]([O-])c1cccc(CNc2cc(-c3ccccc3)nc(NCCCO)n2)c1 ZINC000328984137 212091457 /nfs/dbraw/zinc/09/14/57/212091457.db2.gz HLVUUEDATMTKON-UHFFFAOYSA-N 0 0 379.420 2.302 40 5 GEBBRN COc1ccc2c(c1OC)C(=O)O[C@@H]2NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008870232 221062731 /nfs/dbraw/zinc/06/27/31/221062731.db2.gz QJTOZWJPNDHZEC-HNNXBMFYSA-N 0 0 390.308 2.306 40 5 GEBBRN CNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000010008835 221095864 /nfs/dbraw/zinc/09/58/64/221095864.db2.gz TYRGLPSVYWLWRP-UHFFFAOYSA-N 0 0 379.394 2.072 40 5 GEBBRN COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000408642814 533392966 /nfs/dbraw/zinc/39/29/66/533392966.db2.gz FGVXVUKOVSGMKI-AWEZNQCLSA-N 0 0 398.371 2.382 40 5 GEBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)Nc2nc(-c3ccccc3)nn21 ZINC000010153357 534838685 /nfs/dbraw/zinc/83/86/85/534838685.db2.gz FXWQMBHOZSZEHU-CQSZACIVSA-N 0 0 378.348 2.375 40 5 GEBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000408573859 570384039 /nfs/dbraw/zinc/38/40/39/570384039.db2.gz PBHJVXKNOAQNAF-UHFFFAOYSA-N 0 0 384.392 2.129 40 5 GEBBRN O=c1cccc2[nH]c3cc(CN4CCOCC4)c(CN4CCOCC4)cc3nc1-2 ZINC000031841454 570506871 /nfs/dbraw/zinc/50/68/71/570506871.db2.gz KQSOGXCTXJSYEF-UHFFFAOYSA-N 0 0 394.475 2.153 40 5 GEBBRN COc1ccccc1Cn1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O ZINC000040399066 570603064 /nfs/dbraw/zinc/60/30/64/570603064.db2.gz IQCJJFUEYRXYHJ-UHFFFAOYSA-N 0 0 399.410 2.481 40 5 GEBBRN CCOC(=O)C1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103628687 570887227 /nfs/dbraw/zinc/88/72/27/570887227.db2.gz SNYUSMBJIXGQOA-ZSZQSSIHSA-N 0 0 393.392 2.388 40 5 GEBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nn2cnnc2)cc1 ZINC000014405772 230889817 /nfs/dbraw/zinc/88/98/17/230889817.db2.gz NSZPPXNDHDJBQI-RUDMXATFSA-N 0 0 378.348 2.222 40 5 GEBBRN COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000408636948 231090718 /nfs/dbraw/zinc/09/07/18/231090718.db2.gz DHBCGBTYWHRDTO-AWEZNQCLSA-N 0 0 398.371 2.382 40 5 GEBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F ZINC000408751320 231112033 /nfs/dbraw/zinc/11/20/33/231112033.db2.gz DLOIQIKIOAUMBD-OAHLLOKOSA-N 0 0 380.282 2.491 40 5 GEBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@H]1CCS(=O)(=O)C1 ZINC000005740716 220896573 /nfs/dbraw/zinc/89/65/73/220896573.db2.gz PCZRKHWFEVXXAW-SSDOTTSWSA-N 0 0 383.304 2.368 40 5 GEBBRN CCOC(=O)[C@@H](C(C)=O)C(c1ccc([N+](=O)[O-])cc1)[C@@H](C(C)=O)C(=O)OCC ZINC000017041686 221375770 /nfs/dbraw/zinc/37/57/70/221375770.db2.gz MTXHYIKVGUIRKV-SJPCQFCGSA-N 0 0 393.392 2.215 40 5 GEBBRN COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000408642817 533392685 /nfs/dbraw/zinc/39/26/85/533392685.db2.gz FGVXVUKOVSGMKI-CQSZACIVSA-N 0 0 398.371 2.382 40 5 GEBBRN COc1cc(OCC(=O)N2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000066012903 222136432 /nfs/dbraw/zinc/13/64/32/222136432.db2.gz JXPIHIMXCFXWOT-UHFFFAOYSA-N 0 0 385.420 2.327 40 5 GEBBRN Cc1c(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000408628689 533773398 /nfs/dbraw/zinc/77/33/98/533773398.db2.gz VZOHNDAIGWXYBK-UHFFFAOYSA-N 0 0 375.366 2.443 40 5 GEBBRN O=C1N/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409013223 534781130 /nfs/dbraw/zinc/78/11/30/534781130.db2.gz MLZYJRNHJAKDIT-WJDWOHSUSA-N 0 0 398.375 2.117 40 5 GEBBRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408588094 528586374 /nfs/dbraw/zinc/58/63/74/528586374.db2.gz CFTOPYZHDJDJQQ-GFCCVEGCSA-N 0 0 393.421 2.299 40 5 GEBBRN O=c1[nH]c(=O)c2cc(Cl)c3c(=O)n(-c4ccccc4)c(=O)c4ccc1c2c43 ZINC000005234911 570250361 /nfs/dbraw/zinc/25/03/61/570250361.db2.gz ASAQEYFHVDLNAB-UHFFFAOYSA-N 0 0 376.755 2.235 40 5 GEBBRN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000575419943 570307415 /nfs/dbraw/zinc/30/74/15/570307415.db2.gz BJVCNOCFQVPRDP-MRXNPFEDSA-N 0 0 389.433 2.124 40 5 GEBBRN Cc1c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000006455967 570480642 /nfs/dbraw/zinc/48/06/42/570480642.db2.gz MTAPTTQMWMVPJJ-UHFFFAOYSA-N 0 0 381.385 2.447 40 5 GEBBRN Cc1cc2c(cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C)oc(=O)n2C ZINC000223339113 571045724 /nfs/dbraw/zinc/04/57/24/571045724.db2.gz JFKZXWCWZHJDDC-UHFFFAOYSA-N 0 0 377.378 2.457 40 5 GEBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O ZINC000408681182 231094631 /nfs/dbraw/zinc/09/46/31/231094631.db2.gz HHIKEXPEDNGJKZ-UHFFFAOYSA-N 0 0 398.331 2.209 40 5 GEBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000408648228 231091468 /nfs/dbraw/zinc/09/14/68/231091468.db2.gz WFVVCXQTRGBTTA-UHFFFAOYSA-N 0 0 390.348 2.416 40 5 GEBBRN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000408728775 231106402 /nfs/dbraw/zinc/10/64/02/231106402.db2.gz TYQRNUPRNJPQFE-ZAZJYDDPSA-N 0 0 379.166 2.190 40 5 GEBBRN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3Br)C(=O)[C@@H]12 ZINC000408728772 231106929 /nfs/dbraw/zinc/10/69/29/231106929.db2.gz TYQRNUPRNJPQFE-BLTAXRJOSA-N 0 0 379.166 2.190 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O ZINC000224766829 222662813 /nfs/dbraw/zinc/66/28/13/222662813.db2.gz GLFNLHNXLZLEKF-MRXNPFEDSA-N 0 0 377.422 2.474 40 5 GEBBRN C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329035305 212093113 /nfs/dbraw/zinc/09/31/13/212093113.db2.gz RCSHXJSKLBABKN-SSDOTTSWSA-N 0 0 391.737 2.437 40 5 GEBBRN Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCc2ccc(Cl)cc2)n1 ZINC000017079796 221378443 /nfs/dbraw/zinc/37/84/43/221378443.db2.gz KRWCVMAXFPREJZ-UHFFFAOYSA-N 0 0 390.787 2.157 40 5 GEBBRN CCN1C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C1=O ZINC000019169180 221398887 /nfs/dbraw/zinc/39/88/87/221398887.db2.gz JZXOZUCDOARDIL-KSZLIROESA-N 0 0 380.404 2.030 40 5 GEBBRN COCCN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O ZINC000409136971 533341181 /nfs/dbraw/zinc/34/11/81/533341181.db2.gz UIAYEXDYMWEYGI-PTNGSMBKSA-N 0 0 393.421 2.114 40 5 GEBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000409221682 534169322 /nfs/dbraw/zinc/16/93/22/534169322.db2.gz USJHMIPRPQLTKC-XNTDXEJSSA-N 0 0 396.359 2.135 40 5 GEBBRN O=C(NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000004888751 570354639 /nfs/dbraw/zinc/35/46/39/570354639.db2.gz XLQXYMMVCSDQBH-UHFFFAOYSA-N 0 0 395.481 2.444 40 5 GEBBRN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000005392582 570576101 /nfs/dbraw/zinc/57/61/01/570576101.db2.gz TYIRKQLXEQHJHS-UHFFFAOYSA-N 0 0 389.433 2.050 40 5 GEBBRN COc1ccc(-n2ccc3nc4ccn(-c5cc[nH]n5)c(=O)c4cc3c2=O)cc1 ZINC000040399081 570602830 /nfs/dbraw/zinc/60/28/30/570602830.db2.gz YJWLSOVGZKRMLA-UHFFFAOYSA-N 0 0 385.383 2.422 40 5 GEBBRN CN(C)c1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)n(C)c(=O)nc2-3)cc1 ZINC000059497870 570659120 /nfs/dbraw/zinc/65/91/20/570659120.db2.gz ACWCIPGPBYNUGD-UHFFFAOYSA-N 0 0 391.387 2.163 40 5 GEBBRN COc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)n(C)c(=O)nc2-3)cc1 ZINC000059497842 570659147 /nfs/dbraw/zinc/65/91/47/570659147.db2.gz CIMCJXPOZMMBTC-UHFFFAOYSA-N 0 0 378.344 2.106 40 5 GEBBRN O=C1CCCN1Cc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192861520 570674009 /nfs/dbraw/zinc/67/40/09/570674009.db2.gz QOWBZGLONUSFOJ-UHFFFAOYSA-N 0 0 389.433 2.196 40 5 GEBBRN COc1ccc(CCN2C(=O)C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000005663427 570716693 /nfs/dbraw/zinc/71/66/93/570716693.db2.gz KNCGTXKFTAFTKA-UHFFFAOYSA-N 0 0 399.359 2.150 40 5 GEBBRN Cc1cc(C)n2c(nnc2S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000102242809 570843502 /nfs/dbraw/zinc/84/35/02/570843502.db2.gz JWEYQCKRCXEQAB-ZDUSSCGKSA-N 0 0 398.404 2.074 40 5 GEBBRN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000260504364 645587996 /nfs/dbraw/zinc/58/79/96/645587996.db2.gz HPKRDCTZYGBZJL-JTQLQIEISA-N 0 0 375.834 2.248 40 5 GEBBRN O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F ZINC000408751397 231111485 /nfs/dbraw/zinc/11/14/85/231111485.db2.gz MEOCOWFBGSINAW-HNNXBMFYSA-N 0 0 380.282 2.491 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000409266772 231188491 /nfs/dbraw/zinc/18/84/91/231188491.db2.gz RIKQAYMZNFTQLT-UHFFFAOYSA-N 0 0 381.385 2.447 40 5 GEBBRN COC(=O)CSc1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000225710555 222691904 /nfs/dbraw/zinc/69/19/04/222691904.db2.gz NZLLSVJROZZFFM-AATRIKPKSA-N 0 0 380.407 2.363 40 5 GEBBRN C[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000169682293 531882385 /nfs/dbraw/zinc/88/23/85/531882385.db2.gz JBSZXUDUTUYYNU-UUIJZJDISA-N 0 0 379.166 2.190 40 5 GEBBRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000020410959 136202663 /nfs/dbraw/zinc/20/26/63/136202663.db2.gz JDVXMNHZHWIDMK-UHFFFAOYSA-N 0 0 376.394 2.151 40 5 GEBBRN COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000033537203 221794267 /nfs/dbraw/zinc/79/42/67/221794267.db2.gz NAIZIBIDJSJVKM-INIZCTEOSA-N 0 0 387.436 2.165 40 5 GEBBRN COc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000070777166 222176976 /nfs/dbraw/zinc/17/69/76/222176976.db2.gz AMGOQKKSDZHLNJ-UHFFFAOYSA-N 0 0 389.383 2.470 40 5 GEBBRN CCC[NH+]1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071980344 222202428 /nfs/dbraw/zinc/20/24/28/222202428.db2.gz HHJXNUONUOFGFS-MRXNPFEDSA-N 0 0 391.424 2.031 40 5 GEBBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409231142 534169900 /nfs/dbraw/zinc/16/99/00/534169900.db2.gz HWBRCJIRHWIBDQ-GXDHUFHOSA-N 0 0 396.359 2.135 40 5 GEBBRN CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000409029275 528478323 /nfs/dbraw/zinc/47/83/23/528478323.db2.gz YCRAKOJDRFCEDD-UHFFFAOYSA-N 0 0 393.421 2.398 40 5 GEBBRN CCOC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225025750 528807337 /nfs/dbraw/zinc/80/73/37/528807337.db2.gz AWYFUDQSJVQLIL-UHFFFAOYSA-N 0 0 394.405 2.362 40 5 GEBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2cccs2)no1 ZINC000223772019 570325863 /nfs/dbraw/zinc/32/58/63/570325863.db2.gz NOOSKVHLPRUMGI-UHFFFAOYSA-N 0 0 380.407 2.493 40 5 GEBBRN Cc1c(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220022257 570380660 /nfs/dbraw/zinc/38/06/60/570380660.db2.gz BDWKLAPJQKYGJG-UHFFFAOYSA-N 0 0 391.449 2.328 40 5 GEBBRN CCNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000013681043 570667564 /nfs/dbraw/zinc/66/75/64/570667564.db2.gz VQUVEIBQRLUURX-UHFFFAOYSA-N 0 0 393.421 2.462 40 5 GEBBRN CNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC ZINC000013679532 570667761 /nfs/dbraw/zinc/66/77/61/570667761.db2.gz RCKMUKOHTUBYTQ-UHFFFAOYSA-N 0 0 399.812 2.417 40 5 GEBBRN O=C(Cn1ccc([N+](=O)[O-])n1)/N=c1\sccn1Cc1ccccc1Cl ZINC000102787073 570863133 /nfs/dbraw/zinc/86/31/33/570863133.db2.gz MCIXNDIDHIXKFJ-ICFOKQHNSA-N 0 0 377.813 2.484 40 5 GEBBRN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000043828307 570994069 /nfs/dbraw/zinc/99/40/69/570994069.db2.gz KZHBXFWPASDVQR-UHFFFAOYSA-N 0 0 397.840 2.265 40 5 GEBBRN COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(F)cc1 ZINC000224918907 570997153 /nfs/dbraw/zinc/99/71/53/570997153.db2.gz SQQLXWHXOBSWNP-UHFFFAOYSA-N 0 0 382.369 2.411 40 5 GEBBRN Cc1c(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000220022372 222598033 /nfs/dbraw/zinc/59/80/33/222598033.db2.gz YZAQGVGMDGSTFC-UHFFFAOYSA-N 0 0 391.449 2.028 40 5 GEBBRN C[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220398471 222601311 /nfs/dbraw/zinc/60/13/11/222601311.db2.gz GUEWNPYXQCBYLT-AWEZNQCLSA-N 0 0 391.449 2.408 40 5 GEBBRN O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000408527566 231050672 /nfs/dbraw/zinc/05/06/72/231050672.db2.gz DQVKMPAHIROSST-UHFFFAOYSA-N 0 0 383.364 2.266 40 5 GEBBRN Cc1c(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000408607384 231077644 /nfs/dbraw/zinc/07/76/44/231077644.db2.gz KKGJYZRFRZCIAS-UHFFFAOYSA-N 0 0 395.412 2.443 40 5 GEBBRN CCOC(=O)c1cn(N(C)C(=O)OCC)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000255190238 222744884 /nfs/dbraw/zinc/74/48/84/222744884.db2.gz VUCBGAKSDYXIPW-UHFFFAOYSA-N 0 0 397.771 2.464 40 5 GEBBRN COc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611876 221504826 /nfs/dbraw/zinc/50/48/26/221504826.db2.gz SLYBGYOILKVIKM-UHFFFAOYSA-N 0 0 387.392 2.458 40 5 GEBBRN Cc1nnc(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)[nH]1 ZINC000040398587 221921579 /nfs/dbraw/zinc/92/15/79/221921579.db2.gz WFYRRNHNOFYTDN-UHFFFAOYSA-N 0 0 384.399 2.425 40 5 GEBBRN COc1cccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000223770517 570325893 /nfs/dbraw/zinc/32/58/93/570325893.db2.gz OUKPRENVJLUFSO-UHFFFAOYSA-N 0 0 390.377 2.132 40 5 GEBBRN COc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000033537201 570369331 /nfs/dbraw/zinc/36/93/31/570369331.db2.gz NAIZIBIDJSJVKM-MRXNPFEDSA-N 0 0 387.436 2.165 40 5 GEBBRN COCCOC(=O)C1=CNC=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000147580887 570422821 /nfs/dbraw/zinc/42/28/21/570422821.db2.gz LERFTAJGPLMONS-QGZVFWFLSA-N 0 0 390.392 2.191 40 5 GEBBRN NC(=O)c1c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000006882740 570673824 /nfs/dbraw/zinc/67/38/24/570673824.db2.gz LTDBYKNSQAESGP-UHFFFAOYSA-N 0 0 390.446 2.371 40 5 GEBBRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222828434 570758206 /nfs/dbraw/zinc/75/82/06/570758206.db2.gz NAWVLOWOWBYJOB-AWEZNQCLSA-N 0 0 385.420 2.309 40 5 GEBBRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222828371 570758323 /nfs/dbraw/zinc/75/83/23/570758323.db2.gz NAWVLOWOWBYJOB-CQSZACIVSA-N 0 0 385.420 2.309 40 5 GEBBRN COc1ccc([C@H](C[N+](=O)[O-])c2c(NC(C)=O)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100924189 570781113 /nfs/dbraw/zinc/78/11/13/570781113.db2.gz PGRCFMRWOBYMND-ROUUACIJSA-N 0 0 396.403 2.168 40 5 GEBBRN COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224757322 570962430 /nfs/dbraw/zinc/96/24/30/570962430.db2.gz DQUMADNQTZDLHR-UHFFFAOYSA-N 0 0 386.332 2.241 40 5 GEBBRN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000220085471 222599828 /nfs/dbraw/zinc/59/98/28/222599828.db2.gz MMCUPCLAMRKFRL-UHFFFAOYSA-N 0 0 385.348 2.278 40 5 GEBBRN C[C@H](C(=O)N1CCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220415161 222601057 /nfs/dbraw/zinc/60/10/57/222601057.db2.gz ZYEPHMDCTDYYBQ-CYBMUJFWSA-N 0 0 389.433 2.339 40 5 GEBBRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408593607 529918157 /nfs/dbraw/zinc/91/81/57/529918157.db2.gz MPYNZWHAZNNWJF-LBPRGKRZSA-N 0 0 393.421 2.217 40 5 GEBBRN COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC ZINC000408569382 533147350 /nfs/dbraw/zinc/14/73/50/533147350.db2.gz WHNJHKXDMSKSMI-VIZZQPHQSA-N 0 0 383.404 2.226 40 5 GEBBRN COc1cccc(OC)c1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000008168517 221029524 /nfs/dbraw/zinc/02/95/24/221029524.db2.gz VJSKAERSTBWVNA-UHFFFAOYSA-N 0 0 376.394 2.243 40 5 GEBBRN CO[C@H](NC(=O)OCCn1c(C)ncc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000013230675 221263641 /nfs/dbraw/zinc/26/36/41/221263641.db2.gz DBTPCSVSLJRQDP-QMMMGPOBSA-N 0 0 375.596 2.169 40 5 GEBBRN O=c1c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2O)[nH]c2ncnn21 ZINC000016384320 221361813 /nfs/dbraw/zinc/36/18/13/221361813.db2.gz IIEMFVFHSIFNIL-HNQUOIGGSA-N 0 0 378.142 2.377 40 5 GEBBRN CC(C)NC(=S)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=S)NC(C)C ZINC000016575457 221365032 /nfs/dbraw/zinc/36/50/32/221365032.db2.gz RERCWZLYWGYUIS-UHFFFAOYSA-N 0 0 399.542 2.371 40 5 GEBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1CCCN1[C@@H]2c1ccc(F)cc1 ZINC000019169734 221398773 /nfs/dbraw/zinc/39/87/73/221398773.db2.gz RAQYNQFIWWMULJ-KURKYZTESA-N 0 0 396.378 2.270 40 5 GEBBRN C[C@]1(CN2CCOCC2)COc2c(cc(Br)cc2[N+](=O)[O-])C1=O ZINC000019202390 221398815 /nfs/dbraw/zinc/39/88/15/221398815.db2.gz LJSFBXRLUVMUPV-HNNXBMFYSA-N 0 0 385.214 2.271 40 5 GEBBRN O=C1[C@@H]2[C@H](c3ccccc3)N3CCCN3[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000019169313 221399067 /nfs/dbraw/zinc/39/90/67/221399067.db2.gz UWTUKTLYENKTAQ-SQNIBIBYSA-N 0 0 378.388 2.130 40 5 GEBBRN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000225930362 570281232 /nfs/dbraw/zinc/28/12/32/570281232.db2.gz WWVUXBPJAPBXRU-UHFFFAOYSA-N 0 0 377.422 2.471 40 5 GEBBRN O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000026781507 570437622 /nfs/dbraw/zinc/43/76/22/570437622.db2.gz DAEKAJGVPBCCHK-SFHVURJKSA-N 0 0 375.400 2.296 40 5 GEBBRN COC(=O)[C@@]1(N2CCOCC2)CC[C@@H]([C@H](c2ccccc2)[C@@H](C)[N+](=O)[O-])C1 ZINC000034895333 570807334 /nfs/dbraw/zinc/80/73/34/570807334.db2.gz GVASIQUISVGKAV-PHXBYCTMSA-N 0 0 376.453 2.480 40 5 GEBBRN COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224750207 570961188 /nfs/dbraw/zinc/96/11/88/570961188.db2.gz JBQXYEVLGBSGDY-UHFFFAOYSA-N 0 0 394.405 2.280 40 5 GEBBRN O=C1CCCN1c1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000193184788 570961223 /nfs/dbraw/zinc/96/12/23/570961223.db2.gz XETODUAKSOVEDQ-UHFFFAOYSA-N 0 0 375.406 2.200 40 5 GEBBRN Cc1cccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000220418424 571046492 /nfs/dbraw/zinc/04/64/92/571046492.db2.gz CGFRDZHKDFSFCB-AWEZNQCLSA-N 0 0 391.449 2.374 40 5 GEBBRN