smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2nsnc2c1 ZINC000021595714 230907903 /nfs/dbraw/zinc/90/79/03/230907903.db2.gz ZBWSGPLQLBEAGB-UHFFFAOYSA-N 0 0 393.837 3.380 40 5 GGBBRN O=C(Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000108402846 231020702 /nfs/dbraw/zinc/02/07/02/231020702.db2.gz XYXRZNPLIFKLBM-ROUUACIJSA-N 0 0 392.367 3.270 40 5 GGBBRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408552301 231058374 /nfs/dbraw/zinc/05/83/74/231058374.db2.gz LOQFEBNZDGDICY-CYBMUJFWSA-N 0 0 399.428 3.054 40 5 GGBBRN CCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225872723 231036376 /nfs/dbraw/zinc/03/63/76/231036376.db2.gz IHWLGWCXAAIUOL-UHFFFAOYSA-N 0 0 385.420 3.384 40 5 GGBBRN COc1ccc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)nc2c1 ZINC000408557578 231060149 /nfs/dbraw/zinc/06/01/49/231060149.db2.gz OWCIMTRKUZKBGV-UHFFFAOYSA-N 0 0 388.405 3.219 40 5 GGBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)nn12 ZINC000408571754 231065649 /nfs/dbraw/zinc/06/56/49/231065649.db2.gz FEVWEVWWJKUTPX-UHFFFAOYSA-N 0 0 380.389 3.322 40 5 GGBBRN O=[N+]([O-])c1ccc(N2CCN(C(=S)NCCCc3ccccc3)CC2)cc1 ZINC000408585048 231067517 /nfs/dbraw/zinc/06/75/17/231067517.db2.gz BESZYQOTKNJTSF-UHFFFAOYSA-N 0 0 384.505 3.224 40 5 GGBBRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000408705714 231100212 /nfs/dbraw/zinc/10/02/12/231100212.db2.gz LVKXCHFVJVGLSU-UHFFFAOYSA-N 0 0 397.840 3.286 40 5 GGBBRN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409155992 231172780 /nfs/dbraw/zinc/17/27/80/231172780.db2.gz SHNBRXRNMWFZHR-RISCZKNCSA-N 0 0 376.438 3.432 40 5 GGBBRN O=C1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N2NC=NC2=N1 ZINC000409376619 231197772 /nfs/dbraw/zinc/19/77/72/231197772.db2.gz BUWGCJSZHGTJCN-OAHLLOKOSA-N 0 0 399.794 3.003 40 5 GGBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000409183888 231176090 /nfs/dbraw/zinc/17/60/90/231176090.db2.gz WBIRFEOUBONYQB-UHFFFAOYSA-N 0 0 381.684 3.422 40 5 GGBBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000409245310 231186418 /nfs/dbraw/zinc/18/64/18/231186418.db2.gz QRVOLZCJBVXRPF-OVCLIPMQSA-N 0 0 397.387 3.013 40 5 GGBBRN CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccccc1 ZINC000408638296 529712541 /nfs/dbraw/zinc/71/25/41/529712541.db2.gz QXHXQMWGJFZHNQ-QAPCUYQASA-N 0 0 396.399 3.152 40 5 GGBBRN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccc([N+](=O)[O-])cc1Cl ZINC000033194434 203837186 /nfs/dbraw/zinc/83/71/86/203837186.db2.gz GEMQZZASEZGNAD-UHFFFAOYSA-N 0 0 382.159 3.485 40 5 GGBBRN O=C(CSc1ccc(SC(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 ZINC000001475701 203911675 /nfs/dbraw/zinc/91/16/75/203911675.db2.gz XOVGPMSGEBCLDR-UHFFFAOYSA-N 0 0 382.385 3.158 40 5 GGBBRN O=[N+]([O-])c1ccc([C@H](O)[C@H](c2ccccc2)S(=O)(=O)N2CCCCC2)cc1 ZINC000001717718 203917020 /nfs/dbraw/zinc/91/70/20/203917020.db2.gz OMCFOPZCPDRAMX-OALUTQOASA-N 0 0 390.461 3.185 40 5 GGBBRN COC(=O)c1nn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000004881476 204085320 /nfs/dbraw/zinc/08/53/20/204085320.db2.gz LMIYEFKGHCIXDQ-UHFFFAOYSA-N 0 0 399.310 3.104 40 5 GGBBRN Cn1ccnc1Sc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] ZINC000005267664 204123731 /nfs/dbraw/zinc/12/37/31/204123731.db2.gz JTGFGXZOGVTAAY-MRXNPFEDSA-N 0 0 381.417 3.334 40 5 GGBBRN Cc1nc(Nc2cccc(CO)c2)nc(Nc2cccc(CO)c2)c1[N+](=O)[O-] ZINC000005360792 204128389 /nfs/dbraw/zinc/12/83/89/204128389.db2.gz HCSWNWOKZMDMKA-UHFFFAOYSA-N 0 0 381.392 3.165 40 5 GGBBRN O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1NCCc1ccc(Cl)cc1 ZINC000004923627 204092638 /nfs/dbraw/zinc/09/26/38/204092638.db2.gz SVSRIPMHAUOYQJ-UHFFFAOYSA-N 0 0 394.218 3.375 40 5 GGBBRN O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NCCc1ccc(Cl)cc1 ZINC000004922590 204092700 /nfs/dbraw/zinc/09/27/00/204092700.db2.gz SFYMXSPZWMJCLK-UHFFFAOYSA-N 0 0 394.218 3.375 40 5 GGBBRN CN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000004927472 204092824 /nfs/dbraw/zinc/09/28/24/204092824.db2.gz DKCCSMIPTCLVGK-UHFFFAOYSA-N 0 0 398.828 3.143 40 5 GGBBRN O=C(c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000005722530 204149287 /nfs/dbraw/zinc/14/92/87/204149287.db2.gz HJNBJRGJCGJFHU-KNQAVFIVSA-N 0 0 388.379 3.401 40 5 GGBBRN O=C(NC(=S)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccs1 ZINC000005769798 204149636 /nfs/dbraw/zinc/14/96/36/204149636.db2.gz CROPFCUQKKYRJO-UHFFFAOYSA-N 0 0 390.471 3.329 40 5 GGBBRN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006052555 204162803 /nfs/dbraw/zinc/16/28/03/204162803.db2.gz VZMIPFQRPINVTB-GOSISDBHSA-N 0 0 396.403 3.260 40 5 GGBBRN Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000006044218 204163034 /nfs/dbraw/zinc/16/30/34/204163034.db2.gz LZUKNGVKJXCBLC-UHFFFAOYSA-N 0 0 398.488 3.049 40 5 GGBBRN O=C([C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N1CCOCC1 ZINC000005506507 204135585 /nfs/dbraw/zinc/13/55/85/204135585.db2.gz AJENRFJFQCIBQZ-QGZVFWFLSA-N 0 0 376.796 3.227 40 5 GGBBRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000035426262 204205550 /nfs/dbraw/zinc/20/55/50/204205550.db2.gz XOUNQKDFAUNAFG-KRWDZBQOSA-N 0 0 394.435 3.443 40 5 biogenic,in-vitro GGBBRN CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1[N+](=O)[O-] ZINC000006355659 204175317 /nfs/dbraw/zinc/17/53/17/204175317.db2.gz FJTFJNUKYKRAAV-UHFFFAOYSA-N 0 0 384.348 3.345 40 5 GGBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000006418755 204177950 /nfs/dbraw/zinc/17/79/50/204177950.db2.gz IFJWTJKKIREVOI-UHFFFAOYSA-N 0 0 393.808 3.412 40 5 GGBBRN O=C(/C=C/c1ccc(Cl)cc1)N[C@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1=O ZINC000006512003 204181151 /nfs/dbraw/zinc/18/11/51/204181151.db2.gz VCMOZQACUJPBAC-ICFOYXHFSA-N 0 0 384.779 3.101 40 5 GGBBRN Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006572484 204184965 /nfs/dbraw/zinc/18/49/65/204184965.db2.gz SOSNZZMECQPQFL-UHFFFAOYSA-N 0 0 383.145 3.155 40 5 GGBBRN Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000006572456 204185479 /nfs/dbraw/zinc/18/54/79/204185479.db2.gz ZJJBQXPETOQIEK-UHFFFAOYSA-N 0 0 397.172 3.464 40 5 GGBBRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000006970467 204228046 /nfs/dbraw/zinc/22/80/46/204228046.db2.gz ULEHRCVGCVJIMQ-UHFFFAOYSA-N 0 0 384.417 3.293 40 5 GGBBRN O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)N1CCCCCC1 ZINC000007003224 204229489 /nfs/dbraw/zinc/22/94/89/204229489.db2.gz VFABJLNMEWOAMB-RVDMUPIBSA-N 0 0 389.433 3.034 40 5 GGBBRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O ZINC000007389012 204239764 /nfs/dbraw/zinc/23/97/64/204239764.db2.gz COEWUCYVBQEJCU-FQEVSTJZSA-N 0 0 392.371 3.217 40 5 GGBBRN CC(=O)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000007779745 204249746 /nfs/dbraw/zinc/24/97/46/204249746.db2.gz VCHBYZWVYOSOBM-UHFFFAOYSA-N 0 0 397.416 3.329 40 5 GGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1I ZINC000008772489 204289546 /nfs/dbraw/zinc/28/95/46/204289546.db2.gz JZEIECUKKYUDNY-FNORWQNLSA-N 0 0 384.129 3.444 40 5 GGBBRN C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000008055137 204260246 /nfs/dbraw/zinc/26/02/46/204260246.db2.gz COOMPLAGABFUAQ-KBPBESRZSA-N 0 0 391.449 3.009 40 5 GGBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008168541 204263884 /nfs/dbraw/zinc/26/38/84/204263884.db2.gz BWIOSLSORXUJAL-UHFFFAOYSA-N 0 0 395.824 3.392 40 5 GGBBRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000010543967 204336009 /nfs/dbraw/zinc/33/60/09/204336009.db2.gz ILDHLRSLVOYTAO-CYBMUJFWSA-N 0 0 394.449 3.432 40 5 GGBBRN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000013004687 204477244 /nfs/dbraw/zinc/47/72/44/204477244.db2.gz BSSZOXPDLTYTEG-OAHLLOKOSA-N 0 0 395.868 3.113 40 5 GGBBRN Cc1nn(CCCC(=O)Nc2ccn(Cc3ccc(C)cc3)n2)c(C)c1[N+](=O)[O-] ZINC000012845952 204455163 /nfs/dbraw/zinc/45/51/63/204455163.db2.gz QACPEWCPIUSLSH-UHFFFAOYSA-N 0 0 396.451 3.380 40 5 GGBBRN O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000022606783 204784237 /nfs/dbraw/zinc/78/42/37/204784237.db2.gz BSFLERLBGZSIHO-UHFFFAOYSA-N 0 0 399.410 3.456 40 5 GGBBRN Cc1cc([N+](=O)[O-])ccc1-n1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O ZINC000022607906 204784800 /nfs/dbraw/zinc/78/48/00/204784800.db2.gz YSGPJXPOJWFVDN-UHFFFAOYSA-N 0 0 398.382 3.312 40 5 GGBBRN O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccccc3)n2N2CCOCC2)cc1 ZINC000022762135 204787239 /nfs/dbraw/zinc/78/72/39/204787239.db2.gz CBYZVSDFHFRAKM-VXPUYCOJSA-N 0 0 382.445 3.325 40 5 GGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1CN1CCCC1=O ZINC000040069464 204869982 /nfs/dbraw/zinc/86/99/82/204869982.db2.gz SIRMAHXJCFPQBE-ZHACJKMWSA-N 0 0 379.416 3.047 40 5 GGBBRN NC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 ZINC000032125272 204911776 /nfs/dbraw/zinc/91/17/76/204911776.db2.gz VGSJIQXGYAUELC-UHFFFAOYSA-N 0 0 389.433 3.042 40 5 GGBBRN COC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1Cl ZINC000066019905 205239035 /nfs/dbraw/zinc/23/90/35/205239035.db2.gz ZJMANJLGLWEHNK-UHFFFAOYSA-N 0 0 394.767 3.061 40 5 GGBBRN COc1cc(OCC(=O)NCCSCc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000066017346 205239390 /nfs/dbraw/zinc/23/93/90/205239390.db2.gz HRYHYRFHOUQSKS-UHFFFAOYSA-N 0 0 390.461 3.340 40 5 GGBBRN COc1cc(OCC(=O)NCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000068754768 205272204 /nfs/dbraw/zinc/27/22/04/205272204.db2.gz IXWLOQISEGGOTA-UHFFFAOYSA-N 0 0 384.310 3.317 40 5 GGBBRN COc1cc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)cc(OC)c1OC ZINC000071977574 205300733 /nfs/dbraw/zinc/30/07/33/205300733.db2.gz IEDXADVMBFHELJ-UHFFFAOYSA-N 0 0 382.376 3.327 40 5 GGBBRN O=[N+]([O-])c1ccc(OCc2nn3c(CN4CCCCCC4)nnc3s2)cc1 ZINC000071260603 205279279 /nfs/dbraw/zinc/27/92/79/205279279.db2.gz GIETZJNVSPMFLS-UHFFFAOYSA-N 0 0 388.453 3.049 40 5 GGBBRN CCOc1ccccc1-n1nnnc1SCCOc1ccccc1[N+](=O)[O-] ZINC000048340844 205665825 /nfs/dbraw/zinc/66/58/25/205665825.db2.gz HSMIHJSVHDWKCO-UHFFFAOYSA-N 0 0 387.421 3.140 40 5 GGBBRN Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000226299804 205688765 /nfs/dbraw/zinc/68/87/65/205688765.db2.gz BCEWVPGJCQFXTR-UHFFFAOYSA-N 0 0 375.841 3.437 40 5 GGBBRN NC(=O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000226345419 205690686 /nfs/dbraw/zinc/69/06/86/205690686.db2.gz NXYJJKIRZRJUGK-UHFFFAOYSA-N 0 0 379.210 3.354 40 5 GGBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(I)cc1 ZINC000000842482 205697443 /nfs/dbraw/zinc/69/74/43/205697443.db2.gz QGDWLPKUNKXVIK-UHFFFAOYSA-N 0 0 394.124 3.000 40 5 GGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)Nc1ccccc1OC(F)F ZINC000002664788 205720467 /nfs/dbraw/zinc/72/04/67/205720467.db2.gz PHSBUXNMGJYBMZ-CMDGGOBGSA-N 0 0 392.314 3.391 40 5 GGBBRN O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006888734 205781432 /nfs/dbraw/zinc/78/14/32/205781432.db2.gz FYJDBKBGVIWMFV-UHFFFAOYSA-N 0 0 388.138 3.231 40 5 GGBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000005786083 205770595 /nfs/dbraw/zinc/77/05/95/205770595.db2.gz RASNFXKKZCYGDY-HNNXBMFYSA-N 0 0 388.807 3.340 40 5 GGBBRN Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)n1C ZINC000005972164 205772250 /nfs/dbraw/zinc/77/22/50/205772250.db2.gz NJLSCJUXVQFCQE-UHFFFAOYSA-N 0 0 385.420 3.190 40 5 GGBBRN CN(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000006557946 205777628 /nfs/dbraw/zinc/77/76/28/205777628.db2.gz AGIISVNUUDMIQY-UHFFFAOYSA-N 0 0 391.811 3.105 40 5 GGBBRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000052754367 205802116 /nfs/dbraw/zinc/80/21/16/205802116.db2.gz NEXSDFQAJSEHFM-SNVBAGLBSA-N 0 0 382.825 3.143 40 5 GGBBRN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)OCc1ccc([N+](=O)[O-])cc1 ZINC000006124344 205819741 /nfs/dbraw/zinc/81/97/41/205819741.db2.gz USRACCOAUJIHFA-UHFFFAOYSA-N 0 0 385.372 3.462 40 5 GGBBRN Cc1ccc(N2C(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2C)cc1 ZINC000008637966 205794294 /nfs/dbraw/zinc/79/42/94/205794294.db2.gz PHTNQFZWSBRVIG-CQSZACIVSA-N 0 0 396.403 3.007 40 5 GGBBRN Cc1c(OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000053837500 205904360 /nfs/dbraw/zinc/90/43/60/205904360.db2.gz JVLKNRIAPAUEES-UHFFFAOYSA-N 0 0 391.811 3.033 40 5 GGBBRN CCOc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000016302326 205904803 /nfs/dbraw/zinc/90/48/03/205904803.db2.gz QKSXUOZAGYNFKF-UHFFFAOYSA-N 0 0 380.404 3.168 40 5 GGBBRN CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(=O)(=O)CC ZINC000222396544 205978955 /nfs/dbraw/zinc/97/89/55/205978955.db2.gz MOCKWSNTCIILRU-UHFFFAOYSA-N 0 0 391.449 3.332 40 5 GGBBRN COc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000219826212 205961815 /nfs/dbraw/zinc/96/18/15/205961815.db2.gz ZYZJCKGNGBVYCK-HNNXBMFYSA-N 0 0 386.404 3.401 40 5 GGBBRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224227693 206016304 /nfs/dbraw/zinc/01/63/04/206016304.db2.gz YSNWFUZEJLXXAL-IBGZPJMESA-N 0 0 397.475 3.389 40 5 GGBBRN C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000026534227 206000896 /nfs/dbraw/zinc/00/08/96/206000896.db2.gz RWWKJWFNGGMDDU-KBPBESRZSA-N 0 0 383.404 3.097 40 5 GGBBRN CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000225091444 206035480 /nfs/dbraw/zinc/03/54/80/206035480.db2.gz DZLHWEKTWJGGKR-UHFFFAOYSA-N 0 0 392.433 3.213 40 5 GGBBRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000224540775 206022258 /nfs/dbraw/zinc/02/22/58/206022258.db2.gz FFEYVTAVPXPKNA-UHFFFAOYSA-N 0 0 389.839 3.010 40 5 GGBBRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224596662 206024021 /nfs/dbraw/zinc/02/40/21/206024021.db2.gz WXGNIYVGKHOKPU-LJQANCHMSA-N 0 0 397.475 3.123 40 5 GGBBRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000224789448 206027090 /nfs/dbraw/zinc/02/70/90/206027090.db2.gz IDAUSJVKQPMHEQ-UHFFFAOYSA-N 0 0 392.433 3.213 40 5 GGBBRN CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224784206 206027140 /nfs/dbraw/zinc/02/71/40/206027140.db2.gz JOEMHGZGWLHCGG-UHFFFAOYSA-N 0 0 392.433 3.213 40 5 GGBBRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000224760293 206027190 /nfs/dbraw/zinc/02/71/90/206027190.db2.gz KVSZANXJFFFBOV-UHFFFAOYSA-N 0 0 392.433 3.295 40 5 GGBBRN CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224758405 206028146 /nfs/dbraw/zinc/02/81/46/206028146.db2.gz FOOQJCPARVQGPG-UHFFFAOYSA-N 0 0 398.824 3.250 40 5 GGBBRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000224773428 206028171 /nfs/dbraw/zinc/02/81/71/206028171.db2.gz MKFNCLDERZZKBU-UHFFFAOYSA-N 0 0 385.239 3.491 40 5 GGBBRN CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224811485 206029788 /nfs/dbraw/zinc/02/97/88/206029788.db2.gz HYBZDIFICABKRU-UHFFFAOYSA-N 0 0 380.422 3.136 40 5 GGBBRN Cc1cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000225006033 206032869 /nfs/dbraw/zinc/03/28/69/206032869.db2.gz JPTWRIXRSIMJBQ-UHFFFAOYSA-N 0 0 385.239 3.491 40 5 GGBBRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000225039519 206033564 /nfs/dbraw/zinc/03/35/64/206033564.db2.gz ISKKSGVCZUWTEX-UHFFFAOYSA-N 0 0 398.824 3.250 40 5 GGBBRN CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000225013622 206034743 /nfs/dbraw/zinc/03/47/43/206034743.db2.gz HIHKYAXEVRFIKX-UHFFFAOYSA-N 0 0 392.433 3.295 40 5 GGBBRN N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000225244220 206042654 /nfs/dbraw/zinc/04/26/54/206042654.db2.gz MKJHEJRLEKLNSS-UHFFFAOYSA-N 0 0 395.250 3.465 40 5 GGBBRN C[C@]1(c2ccccc2Br)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225343934 206044510 /nfs/dbraw/zinc/04/45/10/206044510.db2.gz VUOFMAHLSUUORM-HNNXBMFYSA-N 0 0 393.266 3.429 40 5 GGBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)C)c1 ZINC000225498179 206053565 /nfs/dbraw/zinc/05/35/65/206053565.db2.gz MCLMFVJKVYOKRH-QGZVFWFLSA-N 0 0 397.475 3.388 40 5 GGBBRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225700737 206068324 /nfs/dbraw/zinc/06/83/24/206068324.db2.gz IDCUMBJICSKLLT-IBGZPJMESA-N 0 0 397.475 3.469 40 5 GGBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000031984466 206089667 /nfs/dbraw/zinc/08/96/67/206089667.db2.gz YLWJWMOTBARNJY-UHFFFAOYSA-N 0 0 388.445 3.492 40 5 GGBBRN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000030260049 206073308 /nfs/dbraw/zinc/07/33/08/206073308.db2.gz ZPJUTKFHURSASJ-UHFFFAOYSA-N 0 0 386.383 3.032 40 5 GGBBRN COc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000032667852 206090971 /nfs/dbraw/zinc/09/09/71/206090971.db2.gz UQYBMKIKBFGUQP-UHFFFAOYSA-N 0 0 377.300 3.036 40 5 GGBBRN O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)NC2CC2)c1 ZINC000031601755 206087838 /nfs/dbraw/zinc/08/78/38/206087838.db2.gz HORLIHVKMNZILR-UHFFFAOYSA-N 0 0 384.392 3.286 40 5 GGBBRN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000031791461 206089119 /nfs/dbraw/zinc/08/91/19/206089119.db2.gz KFVLUTVSSAWJFL-UHFFFAOYSA-N 0 0 380.360 3.210 40 5 GGBBRN O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000031768369 206089183 /nfs/dbraw/zinc/08/91/83/206089183.db2.gz ZDCMCCTWJRNSRJ-UHFFFAOYSA-N 0 0 382.203 3.061 40 5 GGBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCCCNc1ccc(C(F)(F)F)cn1 ZINC000032911961 206096627 /nfs/dbraw/zinc/09/66/27/206096627.db2.gz XKSBWGBLWWLIHZ-UHFFFAOYSA-N 0 0 382.342 3.170 40 5 GGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000033051951 206097242 /nfs/dbraw/zinc/09/72/42/206097242.db2.gz RZHOBVKNSIXIRA-UHFFFAOYSA-N 0 0 388.445 3.492 40 5 GGBBRN O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)c3ccc(OC(F)F)cc3)n2)cc1 ZINC000058341780 206099401 /nfs/dbraw/zinc/09/94/01/206099401.db2.gz PRJAMHWKXILYLS-HNNXBMFYSA-N 0 0 376.319 3.188 40 5 GGBBRN O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)c3ccc(OC(F)F)cc3)n2)cc1 ZINC000058341781 206099847 /nfs/dbraw/zinc/09/98/47/206099847.db2.gz PRJAMHWKXILYLS-OAHLLOKOSA-N 0 0 376.319 3.188 40 5 GGBBRN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1ccc2c(c1)OCCO2 ZINC000032777309 206093311 /nfs/dbraw/zinc/09/33/11/206093311.db2.gz HDSVXCXQCLQPJN-UHFFFAOYSA-N 0 0 387.373 3.238 40 5 GGBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@H](CO)Cc1ccco1 ZINC000032829367 206093394 /nfs/dbraw/zinc/09/33/94/206093394.db2.gz PZDMEWOSVYBRDV-VIFPVBQESA-N 0 0 389.286 3.378 40 5 GGBBRN Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000032936942 206095390 /nfs/dbraw/zinc/09/53/90/206095390.db2.gz LKMJUTWETWIYFW-UHFFFAOYSA-N 0 0 395.868 3.068 40 5 GGBBRN CN(Cc1cccc(O)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000095446149 206112466 /nfs/dbraw/zinc/11/24/66/206112466.db2.gz YJFZAQDHWZTKPS-UHFFFAOYSA-N 0 0 390.339 3.230 40 5 GGBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000058008391 206209873 /nfs/dbraw/zinc/20/98/73/206209873.db2.gz AGDOTVYTXOCMAF-KGXGESDWSA-N 0 0 385.807 3.183 40 5 GGBBRN CCOc1cc(C=C2NC(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001001054 206210545 /nfs/dbraw/zinc/21/05/45/206210545.db2.gz SWUMELJEILBEEI-OQLLNIDSSA-N 0 0 399.428 3.329 40 5 aggregator GGBBRN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=N)NC2=O)cc1 ZINC000002977314 206212109 /nfs/dbraw/zinc/21/21/09/206212109.db2.gz LRUISANKWIUQTC-GZTJUZNOSA-N 0 0 399.428 3.500 40 5 GGBBRN Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=N)NC2=O)c1 ZINC000006886610 206220083 /nfs/dbraw/zinc/22/00/83/206220083.db2.gz IMKQHMOVUNRIJE-GZTJUZNOSA-N 0 0 399.428 3.500 40 5 GGBBRN COc1cc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000408559236 532983759 /nfs/dbraw/zinc/98/37/59/532983759.db2.gz YOAKAGPFPVFSIC-UHFFFAOYSA-N 0 0 385.405 3.119 40 5 GGBBRN COc1cc(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)ccc1[N+](=O)[O-] ZINC000408555358 532984461 /nfs/dbraw/zinc/98/44/61/532984461.db2.gz WTVIQUKCRKFNHC-UHFFFAOYSA-N 0 0 399.432 3.043 40 5 GGBBRN C[C@@H](NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccccc1 ZINC000409129769 533087059 /nfs/dbraw/zinc/08/70/59/533087059.db2.gz MFGXFTRHCRHAKP-CYBMUJFWSA-N 0 0 397.460 3.360 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O ZINC000408650804 533137345 /nfs/dbraw/zinc/13/73/45/533137345.db2.gz BSBXYEZHRSLFEF-AWEZNQCLSA-N 0 0 384.388 3.179 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(C)c2C)CC1=O ZINC000408672624 533139026 /nfs/dbraw/zinc/13/90/26/533139026.db2.gz VQMFQNBPLWCDQH-CQSZACIVSA-N 0 0 384.388 3.179 40 5 GGBBRN C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000012806460 221234791 /nfs/dbraw/zinc/23/47/91/221234791.db2.gz CWOBDDBNSZYBBD-CQSZACIVSA-N 0 0 377.400 3.355 40 5 GGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)c2c(n1)CCCC2 ZINC000408582045 533224545 /nfs/dbraw/zinc/22/45/45/533224545.db2.gz LJDBYQOTEQKBSZ-UHFFFAOYSA-N 0 0 388.449 3.311 40 5 GGBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000020144886 221474616 /nfs/dbraw/zinc/47/46/16/221474616.db2.gz DMHKTZSJICOHBJ-UHFFFAOYSA-N 0 0 398.371 3.373 40 5 GGBBRN COc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000008209970 533320207 /nfs/dbraw/zinc/32/02/07/533320207.db2.gz LZMHQUATCBNPIH-UHFFFAOYSA-N 0 0 389.477 3.177 40 5 GGBBRN COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000021596074 533320229 /nfs/dbraw/zinc/32/02/29/533320229.db2.gz UZWBDAZCSRLZJI-UHFFFAOYSA-N 0 0 375.406 3.047 40 5 GGBBRN COc1cc(C)c(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000408549210 533565759 /nfs/dbraw/zinc/56/57/59/533565759.db2.gz QVFLEHXXGBQANK-SXGWCWSVSA-N 0 0 397.387 3.013 40 5 GGBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000072229367 136167708 /nfs/dbraw/zinc/16/77/08/136167708.db2.gz KKPSFOWPNGFHSU-UHFFFAOYSA-N 0 0 379.775 3.476 40 5 GGBBRN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(Cl)c1 ZINC000095351448 136177960 /nfs/dbraw/zinc/17/79/60/136177960.db2.gz BZQQXSZEFIDSQB-UHFFFAOYSA-N 0 0 389.839 3.342 40 5 GGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000131254315 136192934 /nfs/dbraw/zinc/19/29/34/136192934.db2.gz OKYAAYUFKNBVBO-UHFFFAOYSA-N 0 0 387.461 3.303 40 5 GGBBRN O=C(OCc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004889698 136194100 /nfs/dbraw/zinc/19/41/00/136194100.db2.gz DAYLITBAACFKBY-UHFFFAOYSA-N 0 0 399.428 3.398 40 5 GGBBRN COc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000005602341 136194935 /nfs/dbraw/zinc/19/49/35/136194935.db2.gz IWEDEFZEPFIFLV-UHFFFAOYSA-N 0 0 391.449 3.395 40 5 GGBBRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 ZINC000012539540 136200556 /nfs/dbraw/zinc/20/05/56/136200556.db2.gz MDCPXLSIQVVJSQ-UHFFFAOYSA-N 0 0 395.868 3.068 40 5 GGBBRN CN1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])CC1 ZINC000015002158 136201823 /nfs/dbraw/zinc/20/18/23/136201823.db2.gz GPJLZCIWKAUKPJ-UHFFFAOYSA-N 0 0 394.353 3.016 40 5 GGBBRN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000020410868 136202633 /nfs/dbraw/zinc/20/26/33/136202633.db2.gz OCEHRUBTTDRODM-UHFFFAOYSA-N 0 0 385.420 3.066 40 5 GGBBRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408552302 533969533 /nfs/dbraw/zinc/96/95/33/533969533.db2.gz LOQFEBNZDGDICY-ZDUSSCGKSA-N 0 0 399.428 3.054 40 5 GGBBRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000408705938 534163196 /nfs/dbraw/zinc/16/31/96/534163196.db2.gz QRDKLWGUKNKMHB-UHFFFAOYSA-N 0 0 384.797 3.144 40 5 GGBBRN COc1ccc(NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-] ZINC000157711003 534173075 /nfs/dbraw/zinc/17/30/75/534173075.db2.gz SBVLNCUBULMZJT-UHFFFAOYSA-N 0 0 398.156 3.460 40 5 GGBBRN COc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1[N+](=O)[O-] ZINC000408624872 534180748 /nfs/dbraw/zinc/18/07/48/534180748.db2.gz CXIVKMAOKHBIPK-UHFFFAOYSA-N 0 0 375.406 3.047 40 5 GGBBRN COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 ZINC000408565626 534242892 /nfs/dbraw/zinc/24/28/92/534242892.db2.gz CORCCKHEQOZSLK-QGZVFWFLSA-N 0 0 398.444 3.472 40 5 GGBBRN O=C1NC(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1cccc(Cl)c1 ZINC000409094282 534780857 /nfs/dbraw/zinc/78/08/57/534780857.db2.gz DFORFDACZCAVJN-QCDXTXTGSA-N 0 0 387.735 3.074 40 5 GGBBRN O=C(NC(=S)NNc1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408623996 534781496 /nfs/dbraw/zinc/78/14/96/534781496.db2.gz ADYYEGSEYXKFKK-UHFFFAOYSA-N 0 0 399.476 3.217 40 5 GGBBRN CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000408564280 528146263 /nfs/dbraw/zinc/14/62/63/528146263.db2.gz XWILDRPHKZLNTO-SFHVURJKSA-N 0 0 389.795 3.081 40 5 GGBBRN CC(C)COc1cccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000408628150 528168008 /nfs/dbraw/zinc/16/80/08/528168008.db2.gz QAUGAOUWPBUYOF-UHFFFAOYSA-N 0 0 388.449 3.261 40 5 GGBBRN CCOC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000408526827 528191145 /nfs/dbraw/zinc/19/11/45/528191145.db2.gz BPPCWJWUVSRFGX-UHFFFAOYSA-N 0 0 381.344 3.176 40 5 GGBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000408627825 528395627 /nfs/dbraw/zinc/39/56/27/528395627.db2.gz OBZJURGEUPYAGX-UHFFFAOYSA-N 0 0 375.406 3.129 40 5 GGBBRN CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000408697935 528425215 /nfs/dbraw/zinc/42/52/15/528425215.db2.gz MXSLVHAUIJCHTD-UHFFFAOYSA-N 0 0 393.421 3.061 40 5 GGBBRN COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004896936 536577095 /nfs/dbraw/zinc/57/70/95/536577095.db2.gz LTPSHAHAWTWSSZ-UHFFFAOYSA-N 0 0 391.811 3.346 40 5 GGBBRN CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@H]41 ZINC000013374563 560215471 /nfs/dbraw/zinc/21/54/71/560215471.db2.gz JWPAJVNQGTWPMI-FIKIJFGZSA-N 0 0 396.395 3.407 40 5 biogenic,in-vitro GGBBRN O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003065425 564193748 /nfs/dbraw/zinc/19/37/48/564193748.db2.gz GIHIYLBJKWTAEZ-UHFFFAOYSA-N 0 0 380.223 3.484 40 5 GGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 ZINC000003383703 564196077 /nfs/dbraw/zinc/19/60/77/564196077.db2.gz BUGDOVCXSZTCOD-UHFFFAOYSA-N 0 0 379.166 3.153 40 5 GGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1F ZINC000003383784 564196406 /nfs/dbraw/zinc/19/64/06/564196406.db2.gz ICLCTEIIAPWIFM-UHFFFAOYSA-N 0 0 397.156 3.292 40 5 GGBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000003502503 564197927 /nfs/dbraw/zinc/19/79/27/564197927.db2.gz YXIKTVBSQAWRLA-UHFFFAOYSA-N 0 0 379.166 3.153 40 5 GGBBRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000003502501 564198347 /nfs/dbraw/zinc/19/83/47/564198347.db2.gz ZTZNOJDWHWXHSZ-UHFFFAOYSA-N 0 0 393.193 3.461 40 5 GGBBRN Cc1cc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000116709990 564215177 /nfs/dbraw/zinc/21/51/77/564215177.db2.gz RSYRPWSLQYFOGV-UHFFFAOYSA-N 0 0 385.239 3.491 40 5 GGBBRN COc1ccccc1C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000005536171 564217524 /nfs/dbraw/zinc/21/75/24/564217524.db2.gz IAIGXQJXBMQOQB-UHFFFAOYSA-N 0 0 394.177 3.406 40 5 GGBBRN COc1ccc(Br)cc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000006441648 564224469 /nfs/dbraw/zinc/22/44/69/564224469.db2.gz YHWXVBHWTGCZIL-UHFFFAOYSA-N 0 0 377.150 3.167 40 5 GGBBRN O=C1c2cc([N+](=O)[O-])cc(Br)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000008448382 564249862 /nfs/dbraw/zinc/24/98/62/564249862.db2.gz DUPKPRYUZWXQTM-UHFFFAOYSA-N 0 0 394.093 3.385 40 5 GGBBRN Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000010366798 564256957 /nfs/dbraw/zinc/25/69/57/564256957.db2.gz MFKOBCVDNMAPQJ-UHFFFAOYSA-N 0 0 383.813 3.180 40 5 GGBBRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1NS(C)(=O)=O ZINC000010370796 564257297 /nfs/dbraw/zinc/25/72/97/564257297.db2.gz DCKJJOXLLULABL-UHFFFAOYSA-N 0 0 383.813 3.180 40 5 GGBBRN CS(=O)(=O)c1ccc(Sc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000015129368 564284308 /nfs/dbraw/zinc/28/43/08/564284308.db2.gz OTRUNFPVJLPJOO-UHFFFAOYSA-N 0 0 381.431 3.311 40 5 GGBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@H]1C=C[C@H]2CC1 ZINC000017077127 564297063 /nfs/dbraw/zinc/29/70/63/564297063.db2.gz YIFWIYGNJAJPNK-WAYYCVMKSA-N 0 0 377.194 3.059 40 5 GGBBRN Cc1ccc(CSCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000020454039 564306510 /nfs/dbraw/zinc/30/65/10/564306510.db2.gz UTNAROFUVZURTJ-UHFFFAOYSA-N 0 0 380.491 3.256 40 5 GGBBRN CCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000022519876 564317244 /nfs/dbraw/zinc/31/72/44/564317244.db2.gz GVDXKCNSZPZCAQ-UHFFFAOYSA-N 0 0 384.797 3.226 40 5 GGBBRN O=C(NC(=S)Nc1c2nsnc2ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000059294407 564692603 /nfs/dbraw/zinc/69/26/03/564692603.db2.gz ISPIDQMZSJEFBJ-UHFFFAOYSA-N 0 0 393.837 3.380 40 5 GGBBRN CCCCN1C(=S)NC(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1=S ZINC000069433914 564839769 /nfs/dbraw/zinc/83/97/69/564839769.db2.gz STRSLXCOJSGPNA-YRNVUSSQSA-N 0 0 379.463 3.025 40 5 GGBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000205762350 565895130 /nfs/dbraw/zinc/89/51/30/565895130.db2.gz OTWONTGVJZKMLI-WUXMJOGZSA-N 0 0 384.797 3.236 40 5 GGBBRN O=[N+]([O-])c1ccc(-n2cc(I)c(C(F)F)n2)c(F)c1 ZINC000685936603 567312299 /nfs/dbraw/zinc/31/22/99/567312299.db2.gz KGGWEDFVXXNYFJ-UHFFFAOYSA-N 0 0 383.067 3.462 40 5 GGBBRN Cc1cc(N[C@@H]2CCCN(c3ncccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048235048 570221466 /nfs/dbraw/zinc/22/14/66/570221466.db2.gz GPSWKLHEXUBJMO-MRXNPFEDSA-N 0 0 391.435 3.231 40 5 GGBBRN CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000219825621 570221539 /nfs/dbraw/zinc/22/15/39/570221539.db2.gz RZUZVYIRMSUFOT-UHFFFAOYSA-N 0 0 388.376 3.106 40 5 GGBBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001467236 570233252 /nfs/dbraw/zinc/23/32/52/570233252.db2.gz YNCXFHXMASIECJ-GOSISDBHSA-N 0 0 381.388 3.308 40 5 GGBBRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000048375209 570249112 /nfs/dbraw/zinc/24/91/12/570249112.db2.gz GLHFIGKXRQCSTC-UHFFFAOYSA-N 0 0 386.330 3.047 40 5 GGBBRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000013988375 570266018 /nfs/dbraw/zinc/26/60/18/570266018.db2.gz JCAWPMHPDZNVEB-JDFRZJQESA-N 0 0 388.420 3.195 40 5 GGBBRN O=C(Nc1ccncc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000024701355 570279629 /nfs/dbraw/zinc/27/96/29/570279629.db2.gz AFQTYHARRIUFAC-UHFFFAOYSA-N 0 0 388.811 3.134 40 5 GGBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000024757231 570290490 /nfs/dbraw/zinc/29/04/90/570290490.db2.gz UNHQMQRJFSJBBH-UHFFFAOYSA-N 0 0 389.411 3.346 40 5 GGBBRN Cc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000223530143 570305132 /nfs/dbraw/zinc/30/51/32/570305132.db2.gz TWYKLVXNYMARAV-UHFFFAOYSA-N 0 0 386.429 3.414 40 5 GGBBRN CCOc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003514309 570341811 /nfs/dbraw/zinc/34/18/11/570341811.db2.gz CQQDOGFGEOQXMF-UHFFFAOYSA-N 0 0 378.768 3.442 40 5 GGBBRN O=C(CNC(=O)c1ccco1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006226105 570343960 /nfs/dbraw/zinc/34/39/60/570343960.db2.gz DDSZHJUZNKVXTC-UHFFFAOYSA-N 0 0 396.355 3.453 40 5 GGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2O)o1 ZINC000004891223 570356838 /nfs/dbraw/zinc/35/68/38/570356838.db2.gz QYOMOAPJVOQVAX-UHFFFAOYSA-N 0 0 386.389 3.390 40 5 GGBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)cc1[N+](=O)[O-] ZINC000004891201 570356848 /nfs/dbraw/zinc/35/68/48/570356848.db2.gz WPGKQDZDRVOOQO-UHFFFAOYSA-N 0 0 386.389 3.390 40 5 GGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000004903548 570359705 /nfs/dbraw/zinc/35/97/05/570359705.db2.gz JEPNUQLYKOQQOJ-UHFFFAOYSA-N 0 0 394.416 3.454 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCSc1ccccc1 ZINC000004928828 570371296 /nfs/dbraw/zinc/37/12/96/570371296.db2.gz LWJDCFVCWSRUNG-UHFFFAOYSA-N 0 0 390.417 3.268 40 5 GGBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1C ZINC000408618513 570387196 /nfs/dbraw/zinc/38/71/96/570387196.db2.gz DDMACMWWOTYVLY-UHFFFAOYSA-N 0 0 375.406 3.047 40 5 GGBBRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408625548 570387539 /nfs/dbraw/zinc/38/75/39/570387539.db2.gz DVJSLVZKBIUFTI-UHFFFAOYSA-N 0 0 397.412 3.474 40 5 GGBBRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000408625682 570387542 /nfs/dbraw/zinc/38/75/42/570387542.db2.gz FEOOLECMQPKUJX-UHFFFAOYSA-N 0 0 375.406 3.129 40 5 GGBBRN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000000831362 570389826 /nfs/dbraw/zinc/38/98/26/570389826.db2.gz PQYLPVBWFBDCET-KRWDZBQOSA-N 0 0 394.474 3.348 40 5 GGBBRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(F)cc2s1 ZINC000006343024 570391830 /nfs/dbraw/zinc/39/18/30/570391830.db2.gz ONVHRSXRGPEDPG-UHFFFAOYSA-N 0 0 388.380 3.102 40 5 GGBBRN C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 ZINC000408758689 570392562 /nfs/dbraw/zinc/39/25/62/570392562.db2.gz PFBNRJCQMMPBPN-YHDSQAASSA-N 0 0 390.395 3.485 40 5 GGBBRN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 ZINC000408756691 570392644 /nfs/dbraw/zinc/39/26/44/570392644.db2.gz UBHOYBLDLPBBIQ-WIRSXHRWSA-N 0 0 376.368 3.095 40 5 GGBBRN Cc1c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000012986930 570407231 /nfs/dbraw/zinc/40/72/31/570407231.db2.gz MMEKAANXXZDRHK-UHFFFAOYSA-N 0 0 387.823 3.155 40 5 GGBBRN CCc1ccccc1N1C[C@H](C(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O ZINC000007881979 570432577 /nfs/dbraw/zinc/43/25/77/570432577.db2.gz VRESYRAAOWVYOV-CQSZACIVSA-N 0 0 383.404 3.157 40 5 GGBBRN CCOC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000039761595 570445678 /nfs/dbraw/zinc/44/56/78/570445678.db2.gz NXEIYXKNEUJSRN-UHFFFAOYSA-N 0 0 397.347 3.466 40 5 GGBBRN O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000029882126 570482077 /nfs/dbraw/zinc/48/20/77/570482077.db2.gz JJQNKXGCSDNORA-UHFFFAOYSA-N 0 0 389.839 3.010 40 5 GGBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000036092271 570532552 /nfs/dbraw/zinc/53/25/52/570532552.db2.gz DIXNZQZUFYGELB-LOHFZDIYSA-N 0 0 390.395 3.485 40 5 GGBBRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000006757759 570569009 /nfs/dbraw/zinc/56/90/09/570569009.db2.gz MIGRXAMBHDFJSX-UHFFFAOYSA-N 0 0 391.449 3.186 40 5 GGBBRN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000006788275 570589081 /nfs/dbraw/zinc/58/90/81/570589081.db2.gz INSZGKXNAYWIAA-SECBINFHSA-N 0 0 389.433 3.141 40 5 GGBBRN CSc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000005425626 570590363 /nfs/dbraw/zinc/59/03/63/570590363.db2.gz SWYVFMWQOFBLDC-UHFFFAOYSA-N 0 0 387.417 3.207 40 5 GGBBRN O=[N+]([O-])c1ccc(-n2nnnc2CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004907305 570647447 /nfs/dbraw/zinc/64/74/47/570647447.db2.gz SFVFLPIURSMOJM-UHFFFAOYSA-N 0 0 378.436 3.025 40 5 GGBBRN Cn1c(=O)nc2n(-c3cccc4ccccc43)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000059497867 570658963 /nfs/dbraw/zinc/65/89/63/570658963.db2.gz CZEMIKOKNUCKTN-UHFFFAOYSA-N 0 0 398.378 3.251 40 5 GGBBRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005578909 570659118 /nfs/dbraw/zinc/65/91/18/570659118.db2.gz AZTPYYXEJFNCED-UHFFFAOYSA-N 0 0 394.767 3.304 40 5 GGBBRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000013669410 570667272 /nfs/dbraw/zinc/66/72/72/570667272.db2.gz MLUDEYNKBBZZRV-UHFFFAOYSA-N 0 0 378.406 3.189 40 5 GGBBRN CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000013670817 570667288 /nfs/dbraw/zinc/66/72/88/570667288.db2.gz PRPLXHNVOMEQDQ-ZDUSSCGKSA-N 0 0 394.449 3.432 40 5 GGBBRN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000004610591 570667537 /nfs/dbraw/zinc/66/75/37/570667537.db2.gz IHXGTIFWYCEZCH-SXGWCWSVSA-N 0 0 385.401 3.321 40 5 GGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713538 570670422 /nfs/dbraw/zinc/67/04/22/570670422.db2.gz WODFEQRGYPVIHW-KRWDZBQOSA-N 0 0 391.449 3.087 40 5 GGBBRN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000005634762 570677440 /nfs/dbraw/zinc/67/74/40/570677440.db2.gz JXONASYHERVESR-LBPRGKRZSA-N 0 0 385.376 3.046 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000222515665 570744590 /nfs/dbraw/zinc/74/45/90/570744590.db2.gz PINORCKLLPUYKW-UHFFFAOYSA-N 0 0 397.840 3.205 40 5 GGBBRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222630220 570749539 /nfs/dbraw/zinc/74/95/39/570749539.db2.gz PNAQKBXUYWWBLV-MRXNPFEDSA-N 0 0 397.475 3.469 40 5 GGBBRN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222754801 570754409 /nfs/dbraw/zinc/75/44/09/570754409.db2.gz QASJKLPKWWCPOK-ZWKOTPCHSA-N 0 0 379.445 3.383 40 5 GGBBRN COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000007035442 570756724 /nfs/dbraw/zinc/75/67/24/570756724.db2.gz NCMMPQZMMHQOIE-ZDUSSCGKSA-N 0 0 376.409 3.491 40 5 GGBBRN CCOC(=O)c1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=N ZINC000001208769 570793320 /nfs/dbraw/zinc/79/33/20/570793320.db2.gz 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GGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 ZINC000006421781 533226785 /nfs/dbraw/zinc/22/67/85/533226785.db2.gz CUZUDQXOKKSIAH-SECBINFHSA-N 0 0 393.783 3.023 40 5 GGBBRN COc1ccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)c(OC)c1 ZINC000010010559 533350171 /nfs/dbraw/zinc/35/01/71/533350171.db2.gz TZTHKBBPAFNAKD-UHFFFAOYSA-N 0 0 389.389 3.483 40 5 GGBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1c(C)c(C)ccc1[N+](=O)[O-] ZINC000408619027 533622486 /nfs/dbraw/zinc/62/24/86/533622486.db2.gz FPFYNHPCDVIVLN-UHFFFAOYSA-N 0 0 389.433 3.356 40 5 GGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000057674817 136153935 /nfs/dbraw/zinc/15/39/35/136153935.db2.gz SUSIVRBGCIWNQM-HNNXBMFYSA-N 0 0 386.427 3.192 40 5 GGBBRN C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057891823 136154050 /nfs/dbraw/zinc/15/40/50/136154050.db2.gz NBLZMUNRTQFDDT-CQSZACIVSA-N 0 0 388.855 3.397 40 5 GGBBRN Cc1ccc(C)n1C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000058153993 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381.432 3.072 40 5 GGBBRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000409254553 534163252 /nfs/dbraw/zinc/16/32/52/534163252.db2.gz HZYBPFTZQRVJJG-UHFFFAOYSA-N 0 0 384.797 3.144 40 5 GGBBRN COC(=O)c1cn(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc12 ZINC000222628851 534301384 /nfs/dbraw/zinc/30/13/84/534301384.db2.gz MHICNOAARJMKSW-UHFFFAOYSA-N 0 0 384.344 3.064 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccccc2)[nH]1 ZINC000192680915 534339925 /nfs/dbraw/zinc/33/99/25/534339925.db2.gz PAROADMVVWVPLA-UHFFFAOYSA-N 0 0 383.433 3.343 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408737223 534343789 /nfs/dbraw/zinc/34/37/89/534343789.db2.gz MMZXHMYISROHGW-KRWDZBQOSA-N 0 0 397.387 3.170 40 5 GGBBRN Cc1ccnc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000408620887 534401933 /nfs/dbraw/zinc/40/19/33/534401933.db2.gz KMBGQULZZBUFGO-UHFFFAOYSA-N 0 0 399.476 3.415 40 5 GGBBRN CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000024750846 519834713 /nfs/dbraw/zinc/83/47/13/519834713.db2.gz VGCQVOFVCNEEKX-UHFFFAOYSA-N 0 0 381.432 3.316 40 5 GGBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000409004509 529175912 /nfs/dbraw/zinc/17/59/12/529175912.db2.gz XJTZSJHAKRTZAV-KXBFYZLASA-N 0 0 399.447 3.347 40 5 GGBBRN CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccccc1 ZINC000408638295 529239114 /nfs/dbraw/zinc/23/91/14/529239114.db2.gz QXHXQMWGJFZHNQ-MAUKXSAKSA-N 0 0 396.399 3.152 40 5 GGBBRN COc1ccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229581 536775730 /nfs/dbraw/zinc/77/57/30/536775730.db2.gz FPEUFECKGYGTQS-UHFFFAOYSA-N 0 0 391.811 3.346 40 5 GGBBRN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(F)cc3)n2)c1 ZINC000015674843 560095840 /nfs/dbraw/zinc/09/58/40/560095840.db2.gz NEILBEDLBZBQLM-SJORKVTESA-N 0 0 384.367 3.092 40 5 biogenic,in-vitro GGBBRN 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Cc1cc(I)cnc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000006572496 564225449 /nfs/dbraw/zinc/22/54/49/564225449.db2.gz WHZFBNHKMZOTJF-UHFFFAOYSA-N 0 0 397.172 3.464 40 5 GGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(Br)c1 ZINC000006623519 564226074 /nfs/dbraw/zinc/22/60/74/564226074.db2.gz FJBBILJWLRNKPY-UHFFFAOYSA-N 0 0 380.198 3.417 40 5 GGBBRN O=C(c1cccnc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000006969776 564229812 /nfs/dbraw/zinc/22/98/12/564229812.db2.gz BHKPIWYFRYEGBP-UHFFFAOYSA-N 0 0 381.219 3.259 40 5 GGBBRN C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000012798632 564271327 /nfs/dbraw/zinc/27/13/27/564271327.db2.gz GAIQXXUNHGMWMN-JTQLQIEISA-N 0 0 382.825 3.143 40 5 GGBBRN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000012798629 564271825 /nfs/dbraw/zinc/27/18/25/564271825.db2.gz GAIQXXUNHGMWMN-SNVBAGLBSA-N 0 0 382.825 3.143 40 5 GGBBRN Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cccc1[N+](=O)[O-] ZINC000022524847 564317702 /nfs/dbraw/zinc/31/77/02/564317702.db2.gz LBKUBRZXTXGNKH-UHFFFAOYSA-N 0 0 383.813 3.180 40 5 GGBBRN Cc1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cccc1[N+](=O)[O-] ZINC000030757938 564384549 /nfs/dbraw/zinc/38/45/49/564384549.db2.gz WBTSTJHIXDAKDM-UHFFFAOYSA-N 0 0 383.813 3.180 40 5 GGBBRN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(I)c1 ZINC000040082695 564425483 /nfs/dbraw/zinc/42/54/83/564425483.db2.gz HAXKNRDMGRJOPQ-UHFFFAOYSA-N 0 0 396.184 3.472 40 5 GGBBRN COc1ccc(C(=O)NCCOc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000058002953 564678204 /nfs/dbraw/zinc/67/82/04/564678204.db2.gz GYIVMNOPRXUPDU-UHFFFAOYSA-N 0 0 395.209 3.175 40 5 GGBBRN Cc1ccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000224141730 565910180 /nfs/dbraw/zinc/91/01/80/565910180.db2.gz BAYLDFWWHXTGLR-UHFFFAOYSA-N 0 0 384.841 3.222 40 5 GGBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000224769093 565911277 /nfs/dbraw/zinc/91/12/77/565911277.db2.gz YWOXMWYHXKIUKB-UHFFFAOYSA-N 0 0 385.239 3.491 40 5 GGBBRN Cc1c(N(C)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000224736076 565911282 /nfs/dbraw/zinc/91/12/82/565911282.db2.gz SGLSGDJQXALEMW-UHFFFAOYSA-N 0 0 385.239 3.491 40 5 GGBBRN CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225015655 565912615 /nfs/dbraw/zinc/91/26/15/565912615.db2.gz BOYTZDMAOVBQNO-UHFFFAOYSA-N 0 0 385.785 3.372 40 5 GGBBRN C[C@@]1(c2ccccc2Br)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225343909 565913759 /nfs/dbraw/zinc/91/37/59/565913759.db2.gz VUOFMAHLSUUORM-OAHLLOKOSA-N 0 0 393.266 3.429 40 5 GGBBRN NC(=O)c1cn(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc12 ZINC000226368126 565919888 /nfs/dbraw/zinc/91/98/88/565919888.db2.gz LNOHKHBKNWLNDP-UHFFFAOYSA-N 0 0 388.177 3.099 40 5 GGBBRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000013988373 570267396 /nfs/dbraw/zinc/26/73/96/570267396.db2.gz JCAWPMHPDZNVEB-IFIJOSMWSA-N 0 0 388.420 3.195 40 5 GGBBRN Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000012865158 570269038 /nfs/dbraw/zinc/26/90/38/570269038.db2.gz XQCCSQNNEIACFT-OAHLLOKOSA-N 0 0 394.435 3.115 40 5 GGBBRN O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000024696717 570278910 /nfs/dbraw/zinc/27/89/10/570278910.db2.gz MBTYGEZBIXMMNY-UHFFFAOYSA-N 0 0 388.763 3.091 40 5 GGBBRN O=C(NC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000024694658 570279406 /nfs/dbraw/zinc/27/94/06/570279406.db2.gz ROLXTVDFEYUZRI-UHFFFAOYSA-N 0 0 386.383 3.160 40 5 GGBBRN COc1cc(CCNC(=O)CSc2ccccc2C)c([N+](=O)[O-])cc1OC ZINC000014076649 570287296 /nfs/dbraw/zinc/28/72/96/570287296.db2.gz CRXPEBYYICLBHY-UHFFFAOYSA-N 0 0 390.461 3.371 40 5 GGBBRN C[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000015940956 570298207 /nfs/dbraw/zinc/29/82/07/570298207.db2.gz HFTITWWAATUJHK-CQSZACIVSA-N 0 0 379.420 3.338 40 5 GGBBRN CC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035290746 570304750 /nfs/dbraw/zinc/30/47/50/570304750.db2.gz YPHJEYUPYAPKNM-LJQANCHMSA-N 0 0 399.499 3.360 40 5 GGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023379329 570322475 /nfs/dbraw/zinc/32/24/75/570322475.db2.gz CXHWNADRRUOBFJ-NJPWYCGFSA-N 0 0 377.444 3.466 40 5 GGBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)cc1[N+](=O)[O-] ZINC000000787012 570323761 /nfs/dbraw/zinc/32/37/61/570323761.db2.gz QFSSMHIBTIEFMW-UHFFFAOYSA-N 0 0 399.432 3.135 40 5 GGBBRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000223692118 570324212 /nfs/dbraw/zinc/32/42/12/570324212.db2.gz QROMWTLOKNUDDM-UHFFFAOYSA-N 0 0 378.450 3.250 40 5 GGBBRN CCOc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC ZINC000223701690 570324512 /nfs/dbraw/zinc/32/45/12/570324512.db2.gz IQMJHMMGXFOXEA-UHFFFAOYSA-N 0 0 394.449 3.179 40 5 GGBBRN CCOc1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000223697298 570324514 /nfs/dbraw/zinc/32/45/14/570324514.db2.gz RTGWXVIWDZTMLY-UHFFFAOYSA-N 0 0 394.449 3.179 40 5 GGBBRN COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] ZINC000016321433 570324788 /nfs/dbraw/zinc/32/47/88/570324788.db2.gz JLZLPEINVGJEAW-UHFFFAOYSA-N 0 0 386.389 3.424 40 5 GGBBRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000055312680 570348701 /nfs/dbraw/zinc/34/87/01/570348701.db2.gz RTXLIIBLERRHPN-UHFFFAOYSA-N 0 0 396.186 3.266 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2O)o1 ZINC000004892549 570356892 /nfs/dbraw/zinc/35/68/92/570356892.db2.gz SODHVQSBWKMBGQ-UHFFFAOYSA-N 0 0 386.389 3.390 40 5 GGBBRN COc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004902612 570359432 /nfs/dbraw/zinc/35/94/32/570359432.db2.gz PGZJSNGNGJQWIF-UHFFFAOYSA-N 0 0 386.389 3.384 40 5 GGBBRN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1cccc([N+](=O)[O-])c1 ZINC000004902520 570359477 /nfs/dbraw/zinc/35/94/77/570359477.db2.gz SWCCOZZPYOTLQT-UHFFFAOYSA-N 0 0 380.389 3.145 40 5 GGBBRN Cc1cccc2c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)nc3[nH]c21 ZINC000004903587 570360939 /nfs/dbraw/zinc/36/09/39/570360939.db2.gz PLESXKNLVKTHRV-UHFFFAOYSA-N 0 0 394.416 3.454 40 5 GGBBRN Cc1cc(NC(=O)[C@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)no1 ZINC000024957021 570376125 /nfs/dbraw/zinc/37/61/25/570376125.db2.gz AMYBZEJDELYXCC-CQSZACIVSA-N 0 0 381.772 3.365 40 5 GGBBRN CCCC[C@H](CC)CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000224058043 570382512 /nfs/dbraw/zinc/38/25/12/570382512.db2.gz SJFSBJPNVYOOHG-HNNXBMFYSA-N 0 0 399.513 3.002 40 5 GGBBRN Cc1ccc(C(=O)NC(=S)Nc2c3nsnc3ccc2C)cc1[N+](=O)[O-] ZINC000408573861 570383999 /nfs/dbraw/zinc/38/39/99/570383999.db2.gz PCVWHBNMHFUAAF-UHFFFAOYSA-N 0 0 387.446 3.343 40 5 GGBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000408572698 570384137 /nfs/dbraw/zinc/38/41/37/570384137.db2.gz RVDBXDAXIOLZET-KRWDZBQOSA-N 0 0 384.417 3.415 40 5 GGBBRN O=C(NC(=S)Nc1cccc(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408627201 570387910 /nfs/dbraw/zinc/38/79/10/570387910.db2.gz LEYWSUMTBTZMTI-UHFFFAOYSA-N 0 0 388.424 3.461 40 5 GGBBRN Cc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000005027620 570398422 /nfs/dbraw/zinc/39/84/22/570398422.db2.gz FIRYZBXRGRTQJC-NSHDSACASA-N 0 0 384.421 3.203 40 5 GGBBRN Cc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000005027619 570398533 /nfs/dbraw/zinc/39/85/33/570398533.db2.gz FIRYZBXRGRTQJC-LLVKDONJSA-N 0 0 384.421 3.203 40 5 GGBBRN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409051989 570409296 /nfs/dbraw/zinc/40/92/96/570409296.db2.gz FINHJTRXMTXRIT-UHFFFAOYSA-N 0 0 397.431 3.403 40 5 GGBBRN COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000024118446 570415826 /nfs/dbraw/zinc/41/58/26/570415826.db2.gz IVQQRZYWMOUIKR-UHFFFAOYSA-N 0 0 389.839 3.215 40 5 GGBBRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224078255 570421907 /nfs/dbraw/zinc/42/19/07/570421907.db2.gz VXNSXQJSJHDBEL-KRWDZBQOSA-N 0 0 397.475 3.327 40 5 GGBBRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224183889 570436099 /nfs/dbraw/zinc/43/60/99/570436099.db2.gz ZUZGLNUVJMPIGL-LJQANCHMSA-N 0 0 397.475 3.389 40 5 GGBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000026780024 570437662 /nfs/dbraw/zinc/43/76/62/570437662.db2.gz FTUWQVHGANISFU-UHFFFAOYSA-N 0 0 390.421 3.023 40 5 GGBBRN Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006494166 570453533 /nfs/dbraw/zinc/45/35/33/570453533.db2.gz IGORMDMUCUBQLE-UHFFFAOYSA-N 0 0 389.824 3.207 40 5 GGBBRN CCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000005945978 570462536 /nfs/dbraw/zinc/46/25/36/570462536.db2.gz DEDPHMIISMZOPI-MDZDMXLPSA-N 0 0 398.444 3.470 40 5 GGBBRN COc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O ZINC000005172897 570492113 /nfs/dbraw/zinc/49/21/13/570492113.db2.gz ZZFUYOQHQAVQEM-NVNXTCNLSA-N 0 0 396.355 3.182 40 5 GGBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2ccccc2c1=O ZINC000005213604 570511767 /nfs/dbraw/zinc/51/17/67/570511767.db2.gz HVQFRDWONGCYOH-UHFFFAOYSA-N 0 0 398.444 3.364 40 5 GGBBRN COc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000006647218 570512909 /nfs/dbraw/zinc/51/29/09/570512909.db2.gz AAJJGGPJHUHYPW-UHFFFAOYSA-N 0 0 389.477 3.032 40 5 GGBBRN Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006640350 570513630 /nfs/dbraw/zinc/51/36/30/570513630.db2.gz LZKCZQJCZXMYMD-OAHLLOKOSA-N 0 0 384.436 3.109 40 5 GGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000046243573 570530246 /nfs/dbraw/zinc/53/02/46/570530246.db2.gz MHQGQSMSKSXNCN-UHFFFAOYSA-N 0 0 388.445 3.492 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000005329306 570553041 /nfs/dbraw/zinc/55/30/41/570553041.db2.gz HKAADNZTTQIOEL-UHFFFAOYSA-N 0 0 389.433 3.139 40 5 GGBBRN COc1ccc(NC(=O)COC(=O)c2cc(C)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000005357609 570560080 /nfs/dbraw/zinc/56/00/80/570560080.db2.gz YWNPXRXDQIYWPK-UHFFFAOYSA-N 0 0 395.371 3.256 40 5 GGBBRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000010337727 570569659 /nfs/dbraw/zinc/56/96/59/570569659.db2.gz IRSVPFBSWXTLNP-CQSZACIVSA-N 0 0 391.449 3.005 40 5 GGBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1N1CCCCS1(=O)=O ZINC000005439699 570593151 /nfs/dbraw/zinc/59/31/51/570593151.db2.gz QCQQFBQSCKYIFZ-UHFFFAOYSA-N 0 0 389.433 3.086 40 5 GGBBRN O=c1c2cc3c(ccn(-c4ccccc4Cl)c3=O)nc2ccn1-c1cc[nH]n1 ZINC000040399079 570603075 /nfs/dbraw/zinc/60/30/75/570603075.db2.gz HUVAJAKMNJIRFG-UHFFFAOYSA-N 0 0 389.802 3.066 40 5 GGBBRN O=C([C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N1CCOCC1 ZINC000005506506 570616090 /nfs/dbraw/zinc/61/60/90/570616090.db2.gz AJENRFJFQCIBQZ-KRWDZBQOSA-N 0 0 376.796 3.227 40 5 GGBBRN Cc1csc(NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 ZINC000033000719 570617408 /nfs/dbraw/zinc/61/74/08/570617408.db2.gz NQLUUFJFFRSSKD-CYBMUJFWSA-N 0 0 396.856 3.406 40 5 GGBBRN 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ZINC000004907301 570647432 /nfs/dbraw/zinc/64/74/32/570647432.db2.gz USKWSHTUUBYTLX-UHFFFAOYSA-N 0 0 378.436 3.025 40 5 GGBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C ZINC000004977115 570655998 /nfs/dbraw/zinc/65/59/98/570655998.db2.gz OFSIVNHUOWINTO-UHFFFAOYSA-N 0 0 399.432 3.130 40 5 GGBBRN COC(=O)c1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000025015024 570663826 /nfs/dbraw/zinc/66/38/26/570663826.db2.gz PIPZILSCGOCOBX-UHFFFAOYSA-N 0 0 394.387 3.436 40 5 GGBBRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000005657991 570666098 /nfs/dbraw/zinc/66/60/98/570666098.db2.gz VWOATUHOIAJERM-HACGYAERSA-N 0 0 378.425 3.338 40 5 GGBBRN CCOc1ccccc1CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013673978 570667265 /nfs/dbraw/zinc/66/72/65/570667265.db2.gz XEWNJQLYRFEAOE-UHFFFAOYSA-N 0 0 378.450 3.213 40 5 GGBBRN CCOC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000013673677 570667281 /nfs/dbraw/zinc/66/72/81/570667281.db2.gz 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ZINC000015219124 221333703 /nfs/dbraw/zinc/33/37/03/221333703.db2.gz SQHNKYLGMGFSCA-NSHDSACASA-N 0 0 385.336 3.432 40 5 GGBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C=C[C@H]2CC1 ZINC000015222957 221333707 /nfs/dbraw/zinc/33/37/07/221333707.db2.gz BPWMWNACLRHPAX-WAYYCVMKSA-N 0 0 377.194 3.059 40 5 GGBBRN C[C@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccnc1Cl ZINC000015798871 221346036 /nfs/dbraw/zinc/34/60/36/221346036.db2.gz QCUPUXVZKXWJAI-FBOQAHMBSA-N 0 0 375.768 3.227 40 5 GGBBRN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000016144247 221358491 /nfs/dbraw/zinc/35/84/91/221358491.db2.gz SNCSGIGJFZSNOB-OAHLLOKOSA-N 0 0 397.431 3.320 40 5 GGBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000016399879 221361579 /nfs/dbraw/zinc/36/15/79/221361579.db2.gz DIXNZQZUFYGELB-VZJWBNGJSA-N 0 0 390.395 3.485 40 5 GGBBRN O=C(CCSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016399761 221362127 /nfs/dbraw/zinc/36/21/27/221362127.db2.gz DNKDEUUAMBSPDY-UHFFFAOYSA-N 0 0 390.373 3.411 40 5 GGBBRN O=[N+]([O-])c1ccc(NCCCOc2nonc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000016492125 221363588 /nfs/dbraw/zinc/36/35/88/221363588.db2.gz KPUUPPALPFRKTJ-UHFFFAOYSA-N 0 0 385.336 3.434 40 5 GGBBRN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016471597 221363666 /nfs/dbraw/zinc/36/36/66/221363666.db2.gz HCGAGSGWPKNLQS-QGZVFWFLSA-N 0 0 389.839 3.052 40 5 GGBBRN CCCNc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000017886041 221385454 /nfs/dbraw/zinc/38/54/54/221385454.db2.gz ZDQQVSPFSODHSM-SECBINFHSA-N 0 0 397.482 3.396 40 5 GGBBRN CCC[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018024261 221385672 /nfs/dbraw/zinc/38/56/72/221385672.db2.gz ZKKIRCDRNCNLIV-KSZLIROESA-N 0 0 381.388 3.073 40 5 GGBBRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(F)ccc1F ZINC000018078921 221387717 /nfs/dbraw/zinc/38/77/17/221387717.db2.gz KGZGJXILAQYVJK-UHFFFAOYSA-N 0 0 377.303 3.200 40 5 GGBBRN COc1ccc(Br)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408585766 533263912 /nfs/dbraw/zinc/26/39/12/533263912.db2.gz ICPWXUAORZCCCH-UHFFFAOYSA-N 0 0 394.177 3.406 40 5 GGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000105393776 533448152 /nfs/dbraw/zinc/44/81/52/533448152.db2.gz XSJGELTWJJLYBO-UHFFFAOYSA-N 0 0 396.699 3.326 40 5 GGBBRN COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000408969640 533395426 /nfs/dbraw/zinc/39/54/26/533395426.db2.gz RJUCTZFKVYXCLH-UHFFFAOYSA-N 0 0 383.404 3.094 40 5 GGBBRN COc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c([N+](=O)[O-])cc1OC ZINC000123086550 533455985 /nfs/dbraw/zinc/45/59/85/533455985.db2.gz CERWDYDEYQTRCE-UHFFFAOYSA-N 0 0 387.417 3.456 40 5 GGBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC000408606866 533470266 /nfs/dbraw/zinc/47/02/66/533470266.db2.gz RPEBYLDXQHRFTM-SOFGYWHQSA-N 0 0 376.365 3.401 40 5 GGBBRN COC(=O)COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1Br ZINC000408544445 533554467 /nfs/dbraw/zinc/55/44/67/533554467.db2.gz TYOCJLVUILIZHB-XQRVVYSFSA-N 0 0 397.181 3.376 40 5 GGBBRN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409145770 533611952 /nfs/dbraw/zinc/61/19/52/533611952.db2.gz RTDAXFVFEZUGLM-IUODEOHRSA-N 0 0 389.481 3.177 40 5 GGBBRN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057891816 136153971 /nfs/dbraw/zinc/15/39/71/136153971.db2.gz NBLZMUNRTQFDDT-AWEZNQCLSA-N 0 0 388.855 3.397 40 5 GGBBRN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 ZINC000069209373 136165091 /nfs/dbraw/zinc/16/50/91/136165091.db2.gz UFYIEKJQBYEGCH-FIKMYACPSA-N 0 0 387.480 3.376 40 5 GGBBRN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004902971 136196610 /nfs/dbraw/zinc/19/66/10/136196610.db2.gz CDZLZBLJILYEKV-UHFFFAOYSA-N 0 0 379.775 3.476 40 5 GGBBRN O=C(Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004741156 136196741 /nfs/dbraw/zinc/19/67/41/136196741.db2.gz VPLNAUWCTGNYBN-UHFFFAOYSA-N 0 0 384.417 3.293 40 5 GGBBRN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1 ZINC000010646022 136199390 /nfs/dbraw/zinc/19/93/90/136199390.db2.gz RDKWWPORUINVLI-ZDUSSCGKSA-N 0 0 386.412 3.205 40 5 GGBBRN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccccc2O)CC1 ZINC000015378374 136201877 /nfs/dbraw/zinc/20/18/77/136201877.db2.gz LJBJDVVWZLQVER-CQSZACIVSA-N 0 0 395.419 3.234 40 5 GGBBRN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1 ZINC000022414721 221558520 /nfs/dbraw/zinc/55/85/20/221558520.db2.gz BZPZIXKMCHDFMX-SNVBAGLBSA-N 0 0 391.767 3.142 40 5 GGBBRN CCOC(=O)Nc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000023148426 221585704 /nfs/dbraw/zinc/58/57/04/221585704.db2.gz DDAYJGWSCVMDRG-UHFFFAOYSA-N 0 0 380.378 3.239 40 5 GGBBRN O=C(COc1ccccc1I)Nc1ccccc1[N+](=O)[O-] ZINC000031656290 221711459 /nfs/dbraw/zinc/71/14/59/221711459.db2.gz CTIDSRLMMAKDHG-UHFFFAOYSA-N 0 0 398.156 3.217 40 5 GGBBRN Cc1nc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)nn2c(C)c1C ZINC000032937874 221755534 /nfs/dbraw/zinc/75/55/34/221755534.db2.gz QKFJPSPQPXFVRE-UHFFFAOYSA-N 0 0 397.420 3.300 40 5 GGBBRN O=C(Nc1ccc(-n2cccn2)nc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000032965954 221759111 /nfs/dbraw/zinc/75/91/11/221759111.db2.gz KPWBLOVPSJHTGK-UHFFFAOYSA-N 0 0 378.392 3.028 40 5 GGBBRN CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040058670 221900445 /nfs/dbraw/zinc/90/04/45/221900445.db2.gz QDWYYUCOALSOKU-UHFFFAOYSA-N 0 0 396.375 3.160 40 5 GGBBRN COc1ccc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)c2ccccc12 ZINC000041095981 221937855 /nfs/dbraw/zinc/93/78/55/221937855.db2.gz BYGNEEVYCNKHGH-UHFFFAOYSA-N 0 0 383.385 3.343 40 5 GGBBRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000048302510 221987043 /nfs/dbraw/zinc/98/70/43/221987043.db2.gz UZCKWTQVKCEHCF-CYBMUJFWSA-N 0 0 397.460 3.328 40 5 GGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(C)C)n1nnc(-c2ccccc2)n1 ZINC000048342960 221988285 /nfs/dbraw/zinc/98/82/85/221988285.db2.gz JYDKEMLBGVOCKX-KRWDZBQOSA-N 0 0 396.407 3.093 40 5 GGBBRN COc1cc(C(=O)N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)ccc1C ZINC000053090174 222007465 /nfs/dbraw/zinc/00/74/65/222007465.db2.gz KDQDUPUMBHMRRV-MRXNPFEDSA-N 0 0 383.448 3.431 40 5 GGBBRN COc1cc(C(=O)N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)ccc1C ZINC000053090172 222007558 /nfs/dbraw/zinc/00/75/58/222007558.db2.gz KDQDUPUMBHMRRV-INIZCTEOSA-N 0 0 383.448 3.431 40 5 GGBBRN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000053541505 222011627 /nfs/dbraw/zinc/01/16/27/222011627.db2.gz QRRAJTFWIVVITQ-MRXNPFEDSA-N 0 0 385.420 3.056 40 5 GGBBRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000054758200 222013833 /nfs/dbraw/zinc/01/38/33/222013833.db2.gz XNSVUFGODVQSNM-UHFFFAOYSA-N 0 0 394.836 3.001 40 5 GGBBRN COc1cc(C(=O)NCc2cc3ccccc3[nH]2)c([N+](=O)[O-])c(OC)c1OC ZINC000058115463 222040159 /nfs/dbraw/zinc/04/01/59/222040159.db2.gz NZMOXODFNXHJCK-UHFFFAOYSA-N 0 0 385.376 3.032 40 5 GGBBRN CCc1cccc(CC)c1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000058166438 222042588 /nfs/dbraw/zinc/04/25/88/222042588.db2.gz HSODOFWPIPNMEQ-UHFFFAOYSA-N 0 0 376.434 3.375 40 5 GGBBRN COc1cc(OCC(=O)NCCOc2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000066018137 222136351 /nfs/dbraw/zinc/13/63/51/222136351.db2.gz FMBKNQLXJLILHX-UHFFFAOYSA-N 0 0 396.399 3.331 40 5 GGBBRN COc1cc(OCC(=O)N2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000066013310 222136716 /nfs/dbraw/zinc/13/67/16/222136716.db2.gz RUMFPOQVYXDPPU-UHFFFAOYSA-N 0 0 384.432 3.464 40 5 GGBBRN COc1cc(OCC(=O)NCCSCc2ccccc2)ccc1[N+](=O)[O-] ZINC000066017343 222136730 /nfs/dbraw/zinc/13/67/30/222136730.db2.gz HEHWDGXBZHMVQC-UHFFFAOYSA-N 0 0 376.434 3.032 40 5 GGBBRN Cc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000078923861 222298931 /nfs/dbraw/zinc/29/89/31/222298931.db2.gz YONCVZPTBZDGCD-UHFFFAOYSA-N 0 0 378.450 3.384 40 5 GGBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1[N+](=O)[O-] ZINC000408637796 534188509 /nfs/dbraw/zinc/18/85/09/534188509.db2.gz ADGBQZUEONUEPD-ZDUSSCGKSA-N 0 0 398.375 3.111 40 5 GGBBRN Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)cc1 ZINC000408530760 534186761 /nfs/dbraw/zinc/18/67/61/534186761.db2.gz RIMJJFQSOZNMGL-UHFFFAOYSA-N 0 0 380.316 3.488 40 5 GGBBRN COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)nn2)c1 ZINC000408534299 534220766 /nfs/dbraw/zinc/22/07/66/534220766.db2.gz UYGNRJRHIHHAFM-UHFFFAOYSA-N 0 0 381.344 3.288 40 5 GGBBRN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1I ZINC000171534185 534483550 /nfs/dbraw/zinc/48/35/50/534483550.db2.gz ZFBGYYTWLTYSNS-UHFFFAOYSA-N 0 0 383.145 3.155 40 5 GGBBRN O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000024696167 534556675 /nfs/dbraw/zinc/55/66/75/534556675.db2.gz UKFXXGXAYDUOPM-UHFFFAOYSA-N 0 0 388.763 3.091 40 5 GGBBRN O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408527846 534567305 /nfs/dbraw/zinc/56/73/05/534567305.db2.gz IQWARKVTONJRNG-UHFFFAOYSA-N 0 0 384.279 3.318 40 5 GGBBRN Cn1c(=O)sc2cc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000225021543 534674016 /nfs/dbraw/zinc/67/40/16/534674016.db2.gz WFOSBJFCPUWGEX-UHFFFAOYSA-N 0 0 389.458 3.380 40 5 GGBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccco1 ZINC000006479944 534707550 /nfs/dbraw/zinc/70/75/50/534707550.db2.gz MZTJHWDKJCKZKJ-UHFFFAOYSA-N 0 0 393.812 3.368 40 5 GGBBRN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409128692 534708399 /nfs/dbraw/zinc/70/83/99/534708399.db2.gz GKLKCGJYBLJLIY-UHFFFAOYSA-N 0 0 387.396 3.260 40 5 GGBBRN O=C1N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000409236302 534781156 /nfs/dbraw/zinc/78/11/56/534781156.db2.gz DKABBDKDWBZLGW-CPNJWEJPSA-N 0 0 388.383 3.478 40 5 GGBBRN O=C1NC(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccc(Cl)cc1 ZINC000409245341 534781640 /nfs/dbraw/zinc/78/16/40/534781640.db2.gz REATXZSFPKBDAZ-XGICHPGQSA-N 0 0 387.735 3.074 40 5 GGBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 ZINC000005603880 534837897 /nfs/dbraw/zinc/83/78/97/534837897.db2.gz QQURODRIYDIINK-ZRDDSIGQSA-N 0 0 396.402 3.472 40 5 GGBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(COc3ccccc3F)n2)c([N+](=O)[O-])c1 ZINC000409385043 534883059 /nfs/dbraw/zinc/88/30/59/534883059.db2.gz IFMGUYHWKSOWOH-UHFFFAOYSA-N 0 0 391.340 3.490 40 5 GGBBRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408583219 528050468 /nfs/dbraw/zinc/05/04/68/528050468.db2.gz GNACELOWDRZVTO-UHFFFAOYSA-N 0 0 392.437 3.173 40 5 GGBBRN CC(C)Oc1ccc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000010543367 528148738 /nfs/dbraw/zinc/14/87/38/528148738.db2.gz JXSZPMMCXIVKBL-UHFFFAOYSA-N 0 0 378.450 3.293 40 5 GGBBRN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=c1/sc2nc3ccccc3n2c1=O ZINC000408997572 528313575 /nfs/dbraw/zinc/31/35/75/528313575.db2.gz NEVTYQNLMJAJJM-LDADJPATSA-N 0 0 394.456 3.211 40 5 GGBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)CC ZINC000408696424 528589495 /nfs/dbraw/zinc/58/94/95/528589495.db2.gz BHBMZCSHFIDYRV-UHFFFAOYSA-N 0 0 393.421 3.143 40 5 GGBBRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000010543988 528596340 /nfs/dbraw/zinc/59/63/40/528596340.db2.gz WEEUNCMCQQEFBM-CYBMUJFWSA-N 0 0 394.449 3.432 40 5 GGBBRN CCCCOc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408628930 528662925 /nfs/dbraw/zinc/66/29/25/528662925.db2.gz YHZLWJZAQNVOJQ-UHFFFAOYSA-N 0 0 388.449 3.405 40 5 GGBBRN CC[C@@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O ZINC000409015359 529349904 /nfs/dbraw/zinc/34/99/04/529349904.db2.gz RRAYOOVTOSTPCR-COOUDCDJSA-N 0 0 391.449 3.266 40 5 GGBBRN COc1ccccc1C(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl ZINC000072229541 537001153 /nfs/dbraw/zinc/00/11/53/537001153.db2.gz WLMAHJGQQOKNEL-UHFFFAOYSA-N 0 0 391.811 3.346 40 5 GGBBRN CNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000035426138 560080754 /nfs/dbraw/zinc/08/07/54/560080754.db2.gz APWNHJWSEBXWCL-INIZCTEOSA-N 0 0 380.408 3.419 40 5 biogenic,in-vitro GGBBRN CSCCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003343603 564196479 /nfs/dbraw/zinc/19/64/79/564196479.db2.gz XQRWKYREDQVLQK-UHFFFAOYSA-N 0 0 380.447 3.119 40 5 GGBBRN O=c1c2cc([N+](=O)[O-])ccc2ncn1CCOc1cccc(Br)c1 ZINC000005453436 564216274 /nfs/dbraw/zinc/21/62/74/564216274.db2.gz IPPBEGPZEQYSKN-UHFFFAOYSA-N 0 0 390.193 3.146 40 5 GGBBRN O=c1oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000005508706 564216857 /nfs/dbraw/zinc/21/68/57/564216857.db2.gz NHFFSXJERNBGDO-UHFFFAOYSA-N 0 0 386.794 3.217 40 5 GGBBRN O=C(C[C@@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000005722488 564218431 /nfs/dbraw/zinc/21/84/31/564218431.db2.gz CGVKNDAEXKLQAY-INIZCTEOSA-N 0 0 381.171 3.314 40 5 endogenous,in-man GGBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccc1I ZINC000005679552 564218713 /nfs/dbraw/zinc/21/87/13/564218713.db2.gz XBGZBOHFELXXCT-UHFFFAOYSA-N 0 0 394.124 3.000 40 5 GGBBRN O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C31CC1 ZINC000006220277 564221376 /nfs/dbraw/zinc/22/13/76/564221376.db2.gz FFAHMWNZQNAWQE-IOQCUFBNSA-N 0 0 389.205 3.059 40 5 GGBBRN O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006322558 564222432 /nfs/dbraw/zinc/22/24/32/564222432.db2.gz TUENRYHBOJCNDY-UHFFFAOYSA-N 0 0 379.398 3.311 40 5 GGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1 ZINC000007700120 564240125 /nfs/dbraw/zinc/24/01/25/564240125.db2.gz HDSBODXKWKAGQN-UHFFFAOYSA-N 0 0 386.882 3.460 40 5 GGBBRN COC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000008091977 564245057 /nfs/dbraw/zinc/24/50/57/564245057.db2.gz WQAYJLWWKYKTJJ-KMKOMSMNSA-N 0 0 391.188 3.111 40 5 GGBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000008379672 564249054 /nfs/dbraw/zinc/24/90/54/564249054.db2.gz CZZDHCMEULTZJH-UHFFFAOYSA-N 0 0 379.781 3.104 40 5 GGBBRN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NS(C)(=O)=O ZINC000010314373 564256996 /nfs/dbraw/zinc/25/69/96/564256996.db2.gz PWKDOGLMPOJOPX-UHFFFAOYSA-N 0 0 383.813 3.180 40 5 GGBBRN O=C(CSc1nc(=O)c2ccsc2[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000016543457 564294338 /nfs/dbraw/zinc/29/43/38/564294338.db2.gz DILVQGYAHCJAHN-UHFFFAOYSA-N 0 0 396.837 3.277 40 5 GGBBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1F ZINC000021508896 564311082 /nfs/dbraw/zinc/31/10/82/564311082.db2.gz ZFEPRMOLUPTGNX-UHFFFAOYSA-N 0 0 375.175 3.297 40 5 GGBBRN COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000022259441 564315222 /nfs/dbraw/zinc/31/52/22/564315222.db2.gz IXIWEQPSYCEZSI-UHFFFAOYSA-N 0 0 381.182 3.383 40 5 GGBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2Br)nn1 ZINC000032816248 564406563 /nfs/dbraw/zinc/40/65/63/564406563.db2.gz XMGDVUDUOUFWBU-UHFFFAOYSA-N 0 0 388.181 3.190 40 5 GGBBRN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1sccc1Br ZINC000042108498 564441787 /nfs/dbraw/zinc/44/17/87/564441787.db2.gz NZGLSHZEEVIYTE-UHFFFAOYSA-N 0 0 394.206 3.012 40 5 GGBBRN O=C(NC(=S)Nc1c2nsnc2ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000057315640 564665147 /nfs/dbraw/zinc/66/51/47/564665147.db2.gz PTSQATVTOVPVQB-UHFFFAOYSA-N 0 0 393.837 3.380 40 5 GGBBRN CCOC(=O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)[C@H](C)CC ZINC000098009175 564911108 /nfs/dbraw/zinc/91/11/08/564911108.db2.gz YUYJXXQLXATUFW-AHEVQNHNSA-N 0 0 375.830 3.366 40 5 GGBBRN COc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000408626825 565614851 /nfs/dbraw/zinc/61/48/51/565614851.db2.gz ISJUINPISUTRRO-UHFFFAOYSA-N 0 0 379.825 3.313 40 5 GGBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000205783199 565894813 /nfs/dbraw/zinc/89/48/13/565894813.db2.gz RZXJKJKIEFPWQD-WUXMJOGZSA-N 0 0 384.797 3.236 40 5 GGBBRN CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225040919 565912313 /nfs/dbraw/zinc/91/23/13/565912313.db2.gz GRIAVRJFEMBQDV-UHFFFAOYSA-N 0 0 385.785 3.372 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cc([N+](=O)[O-])ccc1Cl ZINC000225093403 565913234 /nfs/dbraw/zinc/91/32/34/565913234.db2.gz PCCWGNZABRXNAJ-UHFFFAOYSA-N 0 0 385.785 3.290 40 5 GGBBRN O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000048230167 570223274 /nfs/dbraw/zinc/22/32/74/570223274.db2.gz FOSKQRMLEMGCHG-UHFFFAOYSA-N 0 0 378.344 3.317 40 5 GGBBRN Cc1ccccc1C(=O)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048272431 570225697 /nfs/dbraw/zinc/22/56/97/570225697.db2.gz RFUYSDZLSKHUSZ-UHFFFAOYSA-N 0 0 393.447 3.105 40 5 GGBBRN Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000048302509 570234925 /nfs/dbraw/zinc/23/49/25/570234925.db2.gz UZCKWTQVKCEHCF-ZDUSSCGKSA-N 0 0 397.460 3.328 40 5 GGBBRN COc1ccccc1-n1nnnc1SCCCOc1ccc([N+](=O)[O-])cc1 ZINC000048356673 570243234 /nfs/dbraw/zinc/24/32/34/570243234.db2.gz MZEIEUNUXAWGOO-UHFFFAOYSA-N 0 0 387.421 3.140 40 5 GGBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cccc(OCC(F)(F)F)c1 ZINC000048374114 570247218 /nfs/dbraw/zinc/24/72/18/570247218.db2.gz YFLBHKZPUFXQKH-UHFFFAOYSA-N 0 0 380.278 3.332 40 5 GGBBRN CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O ZINC000000704509 570295255 /nfs/dbraw/zinc/29/52/55/570295255.db2.gz MHKABLWFISYJPX-SXGWCWSVSA-N 0 0 396.355 3.263 40 5 GGBBRN CCOC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000024788411 570297115 /nfs/dbraw/zinc/29/71/15/570297115.db2.gz ISUXZLGCWWFLEF-UHFFFAOYSA-N 0 0 378.406 3.467 40 5 GGBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003383717 570300106 /nfs/dbraw/zinc/30/01/06/570300106.db2.gz ILUXMRIQPHPNFZ-UHFFFAOYSA-N 0 0 384.266 3.289 40 5 GGBBRN CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220506454 570321399 /nfs/dbraw/zinc/32/13/99/570321399.db2.gz KKQDQCMVANQJSH-KRWDZBQOSA-N 0 0 391.449 3.087 40 5 GGBBRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000223691163 570324121 /nfs/dbraw/zinc/32/41/21/570324121.db2.gz CPVSKDCJMXDUGK-UHFFFAOYSA-N 0 0 378.450 3.250 40 5 GGBBRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])s1 ZINC000100241467 570339930 /nfs/dbraw/zinc/33/99/30/570339930.db2.gz KXMOEYUSAIPPSB-UHFFFAOYSA-N 0 0 380.422 3.017 40 5 GGBBRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006238423 570344902 /nfs/dbraw/zinc/34/49/02/570344902.db2.gz MSEFVXNWZAWHCW-UHFFFAOYSA-N 0 0 392.824 3.333 40 5 GGBBRN COc1ccc(-c2cc(C(F)(F)F)nc(-n3cnc([N+](=O)[O-])c3)n2)cc1OC ZINC000004872980 570351880 /nfs/dbraw/zinc/35/18/80/570351880.db2.gz UJJVFNULZDNJEP-UHFFFAOYSA-N 0 0 395.297 3.274 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000000812953 570355507 /nfs/dbraw/zinc/35/55/07/570355507.db2.gz VPIASUSJCISRHN-UHFFFAOYSA-N 0 0 383.433 3.430 40 5 GGBBRN Nc1ccccc1[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006276947 570356121 /nfs/dbraw/zinc/35/61/21/570356121.db2.gz LXCBBBJYUAEZPT-IBGZPJMESA-N 0 0 383.429 3.245 40 5 GGBBRN O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004902541 570359462 /nfs/dbraw/zinc/35/94/62/570359462.db2.gz QZHZFYSWPDMKKO-UHFFFAOYSA-N 0 0 390.812 3.159 40 5 GGBBRN O=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004901433 570359708 /nfs/dbraw/zinc/35/97/08/570359708.db2.gz ONBQVWGITCKGPW-UHFFFAOYSA-N 0 0 384.417 3.293 40 5 GGBBRN COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000006289392 570361027 /nfs/dbraw/zinc/36/10/27/570361027.db2.gz KMSVUYTUURXVSE-UHFFFAOYSA-N 0 0 386.364 3.364 40 5 GGBBRN O=C(NCc1ccco1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000000811377 570363829 /nfs/dbraw/zinc/36/38/29/570363829.db2.gz STOWUFDQHXXKKB-CPNJWEJPSA-N 0 0 391.383 3.275 40 5 GGBBRN O=C(NC(=S)NC1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408618017 570364822 /nfs/dbraw/zinc/36/48/22/570364822.db2.gz BSVZVHKYMZMRJD-UHFFFAOYSA-N 0 0 376.482 3.132 40 5 GGBBRN Cc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)ccc1[N+](=O)[O-] ZINC000024943315 570369322 /nfs/dbraw/zinc/36/93/22/570369322.db2.gz RKUUFLZQGDTHER-UHFFFAOYSA-N 0 0 380.404 3.191 40 5 GGBBRN O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)nc1 ZINC000224024802 570372296 /nfs/dbraw/zinc/37/22/96/570372296.db2.gz RQXAAIQMEGTUIR-UHFFFAOYSA-N 0 0 390.440 3.164 40 5 GGBBRN CCNc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000006318889 570377165 /nfs/dbraw/zinc/37/71/65/570377165.db2.gz LQXQTJBFQGLSGJ-UHFFFAOYSA-N 0 0 379.319 3.100 40 5 GGBBRN Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])nnc3c2c1 ZINC000004976315 570385924 /nfs/dbraw/zinc/38/59/24/570385924.db2.gz HPBFUYDTJWCKBE-UHFFFAOYSA-N 0 0 394.416 3.454 40 5 GGBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000408625525 570387633 /nfs/dbraw/zinc/38/76/33/570387633.db2.gz YKYJNBUHXAQPFH-UHFFFAOYSA-N 0 0 393.808 3.146 40 5 GGBBRN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000043465569 570391952 /nfs/dbraw/zinc/39/19/52/570391952.db2.gz YMVOKEXGZHVCDE-UHFFFAOYSA-N 0 0 384.480 3.395 40 5 GGBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000100563933 570395447 /nfs/dbraw/zinc/39/54/47/570395447.db2.gz DJGJDESGGUEHIL-UHFFFAOYSA-N 0 0 379.266 3.205 40 5 GGBBRN COCc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000005085963 570414472 /nfs/dbraw/zinc/41/44/72/570414472.db2.gz MPORNNILGKNATE-UHFFFAOYSA-N 0 0 378.768 3.190 40 5 GGBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224227646 570437330 /nfs/dbraw/zinc/43/73/30/570437330.db2.gz YSNWFUZEJLXXAL-LJQANCHMSA-N 0 0 397.475 3.389 40 5 GGBBRN Cc1ccc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000006501725 570459131 /nfs/dbraw/zinc/45/91/31/570459131.db2.gz DBVPREJKGNIFMZ-UHFFFAOYSA-N 0 0 380.303 3.300 40 5 GGBBRN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000845627 570461795 /nfs/dbraw/zinc/46/17/95/570461795.db2.gz NITIFTBSCJQOAN-KRWDZBQOSA-N 0 0 398.444 3.035 40 5 GGBBRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006534095 570469299 /nfs/dbraw/zinc/46/92/99/570469299.db2.gz UICOAFLEFGHCBU-VIFPVBQESA-N 0 0 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/nfs/dbraw/zinc/07/72/05/206077205.db2.gz GTNIVICYEOTDOY-UHFFFAOYSA-N 0 0 395.462 3.384 40 5 GGBBRN O=C(Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1)N1CCCC1 ZINC000225990058 206087156 /nfs/dbraw/zinc/08/71/56/206087156.db2.gz KBPULQWAJLYHRE-UHFFFAOYSA-N 0 0 393.443 3.430 40 5 GGBBRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(I)cc1 ZINC000032816849 206092989 /nfs/dbraw/zinc/09/29/89/206092989.db2.gz DRJLVMGKXFZWHJ-UHFFFAOYSA-N 0 0 396.184 3.472 40 5 GGBBRN O=[N+]([O-])c1ccc([C@H](O)CNc2ccccc2S(=O)(=O)C(F)(F)F)cc1 ZINC000032828780 206093408 /nfs/dbraw/zinc/09/34/08/206093408.db2.gz YXCNSAKIOHKNPZ-CYBMUJFWSA-N 0 0 390.339 3.034 40 5 GGBBRN CCN1CCC[C@@]2(CN(Cc3cccc(OC)c3[N+](=O)[O-])CC(F)(F)C2)C1=O ZINC000306141133 206207762 /nfs/dbraw/zinc/20/77/62/206207762.db2.gz VLZYPPACAFQFKN-GOSISDBHSA-N 0 0 397.422 3.073 40 5 GGBBRN CCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)=NC(=S)N[C@H]1c1ccccc1 ZINC000100870322 206216030 /nfs/dbraw/zinc/21/60/30/206216030.db2.gz VPJQCYDGMQGVPP-INIZCTEOSA-N 0 0 383.429 3.088 40 5 GGBBRN Cc1ccc(NC(=O)CCC(=O)OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000006478599 206219182 /nfs/dbraw/zinc/21/91/82/206219182.db2.gz QHYDXXLDYOCUGQ-UHFFFAOYSA-N 0 0 387.348 3.274 40 5 GGBBRN COc1cc(NC(=O)CSc2ccccc2NC(C)=O)ccc1[N+](=O)[O-] ZINC000408558320 532984243 /nfs/dbraw/zinc/98/42/43/532984243.db2.gz SYOHEUVYBPXCQG-UHFFFAOYSA-N 0 0 375.406 3.293 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccccc2Cl)CC1=O ZINC000408653144 533138308 /nfs/dbraw/zinc/13/83/08/533138308.db2.gz DYOTZFQDHPYHKD-LLVKDONJSA-N 0 0 390.779 3.215 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(C)c1OC ZINC000408624581 533143122 /nfs/dbraw/zinc/14/31/22/533143122.db2.gz VDCMJNCKPXZTFS-UHFFFAOYSA-N 0 0 375.406 3.047 40 5 GGBBRN Cc1ccc(CN(C)C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004219525 220694858 /nfs/dbraw/zinc/69/48/58/220694858.db2.gz ZZEVDINNEYLKEU-UHFFFAOYSA-N 0 0 388.445 3.197 40 5 GGBBRN COc1ccc(-c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nn2)cc1 ZINC000408532545 533180446 /nfs/dbraw/zinc/18/04/46/533180446.db2.gz ZSFIEHKYIOUDPW-UHFFFAOYSA-N 0 0 381.344 3.288 40 5 GGBBRN COc1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)nn2)cc1OC ZINC000408530595 533181347 /nfs/dbraw/zinc/18/13/47/533181347.db2.gz JVQUBKHYMVQNMS-UHFFFAOYSA-N 0 0 381.344 3.288 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000005023286 220812865 /nfs/dbraw/zinc/81/28/65/220812865.db2.gz QRNZVHQBGYIUPM-UHFFFAOYSA-N 0 0 384.344 3.036 40 5 GGBBRN C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000012806466 221234974 /nfs/dbraw/zinc/23/49/74/221234974.db2.gz CWOBDDBNSZYBBD-AWEZNQCLSA-N 0 0 377.400 3.355 40 5 GGBBRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(CO)o1 ZINC000020144890 221474662 /nfs/dbraw/zinc/47/46/62/221474662.db2.gz FFOWLLNNMLIEBA-UHFFFAOYSA-N 0 0 398.371 3.373 40 5 GGBBRN COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000409229531 533471872 /nfs/dbraw/zinc/47/18/72/533471872.db2.gz QPVRPBHIZFTVFX-OVCLIPMQSA-N 0 0 397.387 3.013 40 5 GGBBRN Cc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1[N+](=O)[O-] ZINC000020528985 533611912 /nfs/dbraw/zinc/61/19/12/533611912.db2.gz BQHCYPCJBGWFSE-UHFFFAOYSA-N 0 0 380.389 3.322 40 5 GGBBRN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409155988 533612757 /nfs/dbraw/zinc/61/27/57/533612757.db2.gz SHNBRXRNMWFZHR-BXUZGUMPSA-N 0 0 376.438 3.432 40 5 GGBBRN O=C(COCc1ccccc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044292703 132418279 /nfs/dbraw/zinc/41/82/79/132418279.db2.gz SLDZIUIXTOSNMO-UHFFFAOYSA-N 0 0 389.839 3.114 40 5 GGBBRN O=C(CN1CCN(c2ccccc2F)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000058159440 136154619 /nfs/dbraw/zinc/15/46/19/136154619.db2.gz FLOGNQRXQQWVIG-UHFFFAOYSA-N 0 0 392.818 3.148 40 5 GGBBRN O=C(c1cc2ccccc2cc1O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005940380 136195150 /nfs/dbraw/zinc/19/51/50/136195150.db2.gz IYPVVAUQBHODFZ-UHFFFAOYSA-N 0 0 377.400 3.416 40 5 GGBBRN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1 ZINC000010646023 136199290 /nfs/dbraw/zinc/19/92/90/136199290.db2.gz RDKWWPORUINVLI-CYBMUJFWSA-N 0 0 386.412 3.205 40 5 GGBBRN Cc1ccc(NC(=O)CN2CCN(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000013056396 136200937 /nfs/dbraw/zinc/20/09/37/136200937.db2.gz RRBQLCOSFMWIEX-UHFFFAOYSA-N 0 0 388.855 3.317 40 5 GGBBRN CCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020410783 136202650 /nfs/dbraw/zinc/20/26/50/136202650.db2.gz VNKYPGDYXLKKHK-UHFFFAOYSA-N 0 0 385.420 3.473 40 5 GGBBRN Cc1c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000222582508 136204777 /nfs/dbraw/zinc/20/47/77/136204777.db2.gz DYYZXALNEYSYOH-UHFFFAOYSA-N 0 0 389.433 3.086 40 5 GGBBRN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000024421361 221613776 /nfs/dbraw/zinc/61/37/76/221613776.db2.gz XZHWEFKBJQAUHZ-UHFFFAOYSA-N 0 0 377.784 3.074 40 5 GGBBRN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NCCCOCc1ccccc1 ZINC000025551752 221631980 /nfs/dbraw/zinc/63/19/80/221631980.db2.gz WFVZKARGSHRQIR-UHFFFAOYSA-N 0 0 378.812 3.350 40 5 GGBBRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000053541502 222011057 /nfs/dbraw/zinc/01/10/57/222011057.db2.gz QRRAJTFWIVVITQ-INIZCTEOSA-N 0 0 385.420 3.056 40 5 GGBBRN COc1ccc(Cc2nnc(SC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000409390006 533812536 /nfs/dbraw/zinc/81/25/36/533812536.db2.gz BMNCWSJMARGKOK-UHFFFAOYSA-N 0 0 385.401 3.439 40 5 GGBBRN COc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000409051751 534060313 /nfs/dbraw/zinc/06/03/13/534060313.db2.gz GATHOWUDCZTZHK-UHFFFAOYSA-N 0 0 383.404 3.094 40 5 GGBBRN Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000408624616 534139076 /nfs/dbraw/zinc/13/90/76/534139076.db2.gz VGYXTSHNTGUKLL-UHFFFAOYSA-N 0 0 397.416 3.388 40 5 GGBBRN COc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)c([N+](=O)[O-])c1 ZINC000408623838 534181294 /nfs/dbraw/zinc/18/12/94/534181294.db2.gz SIZTXBWJRPCYJP-UHFFFAOYSA-N 0 0 375.406 3.047 40 5 GGBBRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 ZINC000408714705 534222647 /nfs/dbraw/zinc/22/26/47/534222647.db2.gz VQMLTPMOEPOHRI-UHFFFAOYSA-N 0 0 397.347 3.134 40 5 GGBBRN COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 ZINC000408565623 534243932 /nfs/dbraw/zinc/24/39/32/534243932.db2.gz CORCCKHEQOZSLK-KRWDZBQOSA-N 0 0 398.444 3.472 40 5 GGBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1C ZINC000408623055 534325632 /nfs/dbraw/zinc/32/56/32/534325632.db2.gz QPTPPEJLRQUGFJ-UHFFFAOYSA-N 0 0 387.417 3.110 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 ZINC000408598123 534344721 /nfs/dbraw/zinc/34/47/21/534344721.db2.gz XDOGEDKLZSTWCX-UHFFFAOYSA-N 0 0 391.449 3.151 40 5 GGBBRN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1I ZINC000006960745 534484719 /nfs/dbraw/zinc/48/47/19/534484719.db2.gz RLSSBLADFZELEA-UHFFFAOYSA-N 0 0 397.172 3.464 40 5 GGBBRN O=C(CSc1nccc(=O)[nH]1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000408544390 534674661 /nfs/dbraw/zinc/67/46/61/534674661.db2.gz HYHNPBGOBVWXIB-UHFFFAOYSA-N 0 0 375.193 3.128 40 5 GGBBRN O=C(c1ccc(Br)cc1)n1nc(-c2ccccc2)nc1C[N+](=O)[O-] ZINC000408732575 534692496 /nfs/dbraw/zinc/69/24/96/534692496.db2.gz RZLDCDIWVNRZDK-UHFFFAOYSA-N 0 0 387.193 3.173 40 5 GGBBRN Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409124128 534708608 /nfs/dbraw/zinc/70/86/08/534708608.db2.gz GWMGSFFRLOCSLE-UHFFFAOYSA-N 0 0 387.396 3.260 40 5 GGBBRN O=C1N/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000409204539 534781404 /nfs/dbraw/zinc/78/14/04/534781404.db2.gz IKLWPDNNFFPKJB-UYRXBGFRSA-N 0 0 388.383 3.478 40 5 GGBBRN O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000409310498 534802564 /nfs/dbraw/zinc/80/25/64/534802564.db2.gz VHXGIZJKRXXKSQ-PFONDFGASA-N 0 0 381.369 3.154 40 5 GGBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3cc(Br)ccc3O)n2)nc1 ZINC000408608940 534882773 /nfs/dbraw/zinc/88/27/73/534882773.db2.gz XTTVLZOHCBPEQC-UHFFFAOYSA-N 0 0 394.210 3.394 40 5 GGBBRN CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(Cl)cc2)C1 ZINC000408564278 528146328 /nfs/dbraw/zinc/14/63/28/528146328.db2.gz XWILDRPHKZLNTO-GOSISDBHSA-N 0 0 389.795 3.081 40 5 GGBBRN CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409242921 528175000 /nfs/dbraw/zinc/17/50/00/528175000.db2.gz PTGLCJMNIXHGIT-LDADJPATSA-N 0 0 381.388 3.477 40 5 GGBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C)n1 ZINC000225872584 528500874 /nfs/dbraw/zinc/50/08/74/528500874.db2.gz GWGAXWCCQDAXEX-UHFFFAOYSA-N 0 0 385.420 3.384 40 5 GGBBRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408553811 529113696 /nfs/dbraw/zinc/11/36/96/529113696.db2.gz QPXAYQZFHYMOJM-UHFFFAOYSA-N 0 0 379.394 3.272 40 5 GGBBRN CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@@H]41 ZINC000013374560 560215429 /nfs/dbraw/zinc/21/54/29/560215429.db2.gz JWPAJVNQGTWPMI-MQJDWESPSA-N 0 0 396.395 3.407 40 5 biogenic,in-vitro GGBBRN CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@@H]41 ZINC000014858282 560227259 /nfs/dbraw/zinc/22/72/59/560227259.db2.gz JWPAJVNQGTWPMI-WIUDPPPLSA-N 0 0 396.395 3.407 40 5 biogenic,in-vitro GGBBRN O=C(C[C@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000001624462 564185463 /nfs/dbraw/zinc/18/54/63/564185463.db2.gz CGVKNDAEXKLQAY-MRXNPFEDSA-N 0 0 381.171 3.314 40 5 endogenous,in-man GGBBRN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003237686 564194118 /nfs/dbraw/zinc/19/41/18/564194118.db2.gz SATDLQFVZRJRQB-FNORWQNLSA-N 0 0 395.165 3.145 40 5 GGBBRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000005234127 564213233 /nfs/dbraw/zinc/21/32/33/564213233.db2.gz IOFKDUVXGWSUCM-UHFFFAOYSA-N 0 0 387.211 3.167 40 5 GGBBRN COc1ccc(C(=O)Nc2ccccc2I)cc1[N+](=O)[O-] ZINC000005514464 564217442 /nfs/dbraw/zinc/21/74/42/564217442.db2.gz DSBWZULIHMUARI-UHFFFAOYSA-N 0 0 398.156 3.460 40 5 GGBBRN O=C1C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Br)cc21 ZINC000006224683 564221739 /nfs/dbraw/zinc/22/17/39/564221739.db2.gz HWTSXUIVUGCFGT-UHFFFAOYSA-N 0 0 392.121 3.127 40 5 GGBBRN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000006505488 564224261 /nfs/dbraw/zinc/22/42/61/564224261.db2.gz NEACPUZDYOLZFI-UHFFFAOYSA-N 0 0 382.829 3.015 40 5 GGBBRN O=C(COC(=O)c1cc(F)ccc1Br)Nc1ccccc1[N+](=O)[O-] ZINC000007867364 564242026 /nfs/dbraw/zinc/24/20/26/564242026.db2.gz DRYGWMQJKWOVDK-UHFFFAOYSA-N 0 0 397.156 3.292 40 5 GGBBRN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccc(F)cc1Br ZINC000014085285 564279416 /nfs/dbraw/zinc/27/94/16/564279416.db2.gz CFHHIHFPXLNLNG-UHFFFAOYSA-N 0 0 378.157 3.255 40 5 GGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000020041672 564305645 /nfs/dbraw/zinc/30/56/45/564305645.db2.gz MNWBKEPNDKTKOD-UHFFFAOYSA-N 0 0 389.202 3.438 40 5 GGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSc2ccc(Cl)cc2)c1 ZINC000020453062 564306271 /nfs/dbraw/zinc/30/62/71/564306271.db2.gz QEHPBIZMALFQNU-UHFFFAOYSA-N 0 0 386.882 3.460 40 5 GGBBRN COc1cc(OCC(=O)Nc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000022259437 564315206 /nfs/dbraw/zinc/31/52/06/564315206.db2.gz KBMPGAFHQJZEAU-UHFFFAOYSA-N 0 0 381.182 3.383 40 5 GGBBRN COc1cc(OCC(=O)Nc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000022259433 564315280 /nfs/dbraw/zinc/31/52/80/564315280.db2.gz JVPISRQXVUMBBP-UHFFFAOYSA-N 0 0 381.182 3.383 40 5 GGBBRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000030861174 564384992 /nfs/dbraw/zinc/38/49/92/564384992.db2.gz WSCBAGPKGUMKOQ-UHFFFAOYSA-N 0 0 384.797 3.226 40 5 GGBBRN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000032127698 564396380 /nfs/dbraw/zinc/39/63/80/564396380.db2.gz IJMBLQFVXXQWIW-UHFFFAOYSA-N 0 0 379.781 3.104 40 5 GGBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC000032126451 564396768 /nfs/dbraw/zinc/39/67/68/564396768.db2.gz NSDMIMBJKGPOSX-UHFFFAOYSA-N 0 0 379.781 3.104 40 5 GGBBRN O=C(c1ccccc1Br)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048305968 564536363 /nfs/dbraw/zinc/53/63/63/564536363.db2.gz HDNIIKQPNZBXLL-UHFFFAOYSA-N 0 0 390.237 3.320 40 5 GGBBRN COc1ccc(C(=O)NCCc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] ZINC000048375099 564538552 /nfs/dbraw/zinc/53/85/52/564538552.db2.gz XEUZLIZGGKSNPG-UHFFFAOYSA-N 0 0 397.200 3.478 40 5 GGBBRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000052754366 564575981 /nfs/dbraw/zinc/57/59/81/564575981.db2.gz NEXSDFQAJSEHFM-JTQLQIEISA-N 0 0 382.825 3.143 40 5 GGBBRN O=C(c1cccnc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000408626487 565614681 /nfs/dbraw/zinc/61/46/81/565614681.db2.gz HOJHDKZUDQOCCT-UHFFFAOYSA-N 0 0 381.219 3.259 40 5 GGBBRN Cc1nc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000408629106 565614741 /nfs/dbraw/zinc/61/47/41/565614741.db2.gz ZKUALMAXDNRPQY-UHFFFAOYSA-N 0 0 395.238 3.188 40 5 GGBBRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000409012716 565614834 /nfs/dbraw/zinc/61/48/34/565614834.db2.gz RMHVDGNQTKWZFC-LQGZHCLWSA-N 0 0 384.797 3.236 40 5 GGBBRN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000226243343 565918025 /nfs/dbraw/zinc/91/80/25/565918025.db2.gz LKQDMCAEMKHQFB-UHFFFAOYSA-N 0 0 381.182 3.389 40 5 GGBBRN COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C(N)=O)c3o2)cc1Br ZINC000226237040 565918054 /nfs/dbraw/zinc/91/80/54/565918054.db2.gz ZVJVVJNAJVQHRZ-UHFFFAOYSA-N 0 0 392.165 3.273 40 5 GGBBRN O=C(c1ccc(Br)c([N+](=O)[O-])c1)n1cc(CO)c2ccccc21 ZINC000226368173 565919654 /nfs/dbraw/zinc/91/96/54/565919654.db2.gz UAZRYVXSFWPPRT-UHFFFAOYSA-N 0 0 375.178 3.493 40 5 GGBBRN Cc1cc(N[C@H]2CCCN(c3ncccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048235049 570221780 /nfs/dbraw/zinc/22/17/80/570221780.db2.gz GPSWKLHEXUBJMO-INIZCTEOSA-N 0 0 391.435 3.231 40 5 GGBBRN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006052717 570229662 /nfs/dbraw/zinc/22/96/62/570229662.db2.gz KGQKXRFQYCWJKA-SFHVURJKSA-N 0 0 396.403 3.260 40 5 GGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C(C)C)n1nnc(-c2ccccc2)n1 ZINC000048342962 570239882 /nfs/dbraw/zinc/23/98/82/570239882.db2.gz JYDKEMLBGVOCKX-QGZVFWFLSA-N 0 0 396.407 3.093 40 5 GGBBRN CCN(CC)C(=O)c1cc2c(=O)c3c(ccc4ccccc43)oc2n(C)c1=O ZINC000001578702 570265317 /nfs/dbraw/zinc/26/53/17/570265317.db2.gz BDYZFTWKSQEFOF-UHFFFAOYSA-N 0 0 376.412 3.280 40 5 GGBBRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000013988378 570267388 /nfs/dbraw/zinc/26/73/88/570267388.db2.gz JCAWPMHPDZNVEB-MRRJBJDNSA-N 0 0 388.420 3.195 40 5 GGBBRN COc1ccc(/C=C2\C(=O)N[C@@H]3SC=C(c4cccc([N+](=O)[O-])c4)N23)cc1 ZINC000001637160 570325160 /nfs/dbraw/zinc/32/51/60/570325160.db2.gz ALPCFHJYBJDHMV-HVRVZBDQSA-N 0 0 381.413 3.405 40 5 GGBBRN Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000003514408 570342180 /nfs/dbraw/zinc/34/21/80/570342180.db2.gz CVAZUVHHQGTVGY-UHFFFAOYSA-N 0 0 393.739 3.260 40 5 GGBBRN Nc1ccccc1[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000006276958 570356145 /nfs/dbraw/zinc/35/61/45/570356145.db2.gz LXCBBBJYUAEZPT-LJQANCHMSA-N 0 0 383.429 3.245 40 5 GGBBRN Cc1ccc(NC(=O)CSc2nnc3c4ccccc4[nH]c3n2)cc1[N+](=O)[O-] ZINC000004906965 570362912 /nfs/dbraw/zinc/36/29/12/570362912.db2.gz QWVHUDWPQQNUAX-UHFFFAOYSA-N 0 0 394.416 3.454 40 5 GGBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100494668 570373457 /nfs/dbraw/zinc/37/34/57/570373457.db2.gz AIBSCPMREKKWQG-UHFFFAOYSA-N 0 0 389.305 3.273 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1n[nH]c(-c2cccnc2)n1 ZINC000004954335 570380451 /nfs/dbraw/zinc/38/04/51/570380451.db2.gz VIHBMYQGVGBPNE-NSHDSACASA-N 0 0 384.421 3.203 40 5 GGBBRN Cc1c(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cccc1[N+](=O)[O-] ZINC000408628941 570387380 /nfs/dbraw/zinc/38/73/80/570387380.db2.gz YKZDOCIKCLSMJF-UHFFFAOYSA-N 0 0 383.385 3.136 40 5 GGBBRN O=C(NC(=S)Nc1nccs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408625853 570387569 /nfs/dbraw/zinc/38/75/69/570387569.db2.gz FVXNWCHENWCJON-UHFFFAOYSA-N 0 0 391.478 3.168 40 5 GGBBRN O=C(CSc1nnc2c3cc(F)ccc3[nH]c2n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004976634 570387887 /nfs/dbraw/zinc/38/78/87/570387887.db2.gz FGQMIOXHFPHSEB-UHFFFAOYSA-N 0 0 398.379 3.284 40 5 GGBBRN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 ZINC000408756685 570392652 /nfs/dbraw/zinc/39/26/52/570392652.db2.gz UBHOYBLDLPBBIQ-IIMDRIAPSA-N 0 0 376.368 3.095 40 5 GGBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000006386305 570399326 /nfs/dbraw/zinc/39/93/26/570399326.db2.gz SSVWPSOZLOVNQF-UHFFFAOYSA-N 0 0 386.433 3.379 40 5 GGBBRN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016471596 570425022 /nfs/dbraw/zinc/42/50/22/570425022.db2.gz HCGAGSGWPKNLQS-KRWDZBQOSA-N 0 0 389.839 3.052 40 5 GGBBRN CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1OCC ZINC000007927682 570432439 /nfs/dbraw/zinc/43/24/39/570432439.db2.gz HTVPQTFOVACKHX-UHFFFAOYSA-N 0 0 396.421 3.202 40 5 GGBBRN CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000039757476 570448986 /nfs/dbraw/zinc/44/89/86/570448986.db2.gz 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GGBBRN Cc1nnc(NC(=O)CCCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000008474106 570518722 /nfs/dbraw/zinc/51/87/22/570518722.db2.gz YIPQOMCFSGOCNU-UHFFFAOYSA-N 0 0 398.828 3.260 40 5 GGBBRN CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(C)=O ZINC000005336129 570555833 /nfs/dbraw/zinc/55/58/33/570555833.db2.gz MDWYCKGYNDRONC-YBEGLDIGSA-N 0 0 396.355 3.263 40 5 GGBBRN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000006788277 570589145 /nfs/dbraw/zinc/58/91/45/570589145.db2.gz INSZGKXNAYWIAA-VIFPVBQESA-N 0 0 389.433 3.141 40 5 GGBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cc([N+](=O)[O-])ccc1F ZINC000003246868 570597172 /nfs/dbraw/zinc/59/71/72/570597172.db2.gz CPTRHFSQBRAFPO-UHFFFAOYSA-N 0 0 397.702 3.091 40 5 GGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2ccccc2O)n1 ZINC000004129450 570616493 /nfs/dbraw/zinc/61/64/93/570616493.db2.gz OCVCBJVRGUZLJP-UHFFFAOYSA-N 0 0 385.405 3.125 40 5 GGBBRN O=C(Nc1cccc(N2CCOC2=O)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000024985331 570642616 /nfs/dbraw/zinc/64/26/16/570642616.db2.gz UPIVUVOIZNIEPU-UHFFFAOYSA-N 0 0 396.403 3.404 40 5 GGBBRN COc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004902606 570646933 /nfs/dbraw/zinc/64/69/33/570646933.db2.gz ISKHWZHKJAQDRU-UHFFFAOYSA-N 0 0 386.389 3.384 40 5 GGBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1C ZINC000004977102 570656022 /nfs/dbraw/zinc/65/60/22/570656022.db2.gz PUKVFCSHFMWZDV-UHFFFAOYSA-N 0 0 399.432 3.135 40 5 GGBBRN Cc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)n(C)c(=O)nc2-3)cc1Cl ZINC000059497850 570659069 /nfs/dbraw/zinc/65/90/69/570659069.db2.gz ZPWVZHCPBLAAJS-UHFFFAOYSA-N 0 0 396.790 3.059 40 5 GGBBRN Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000850482 570662619 /nfs/dbraw/zinc/66/26/19/570662619.db2.gz ZNQGAXYICHKNKX-UHFFFAOYSA-N 0 0 387.779 3.181 40 5 GGBBRN O=C(CN1CCCCCC1=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000005539503 570664173 /nfs/dbraw/zinc/66/41/73/570664173.db2.gz GDXUJHKKEXWLFE-UHFFFAOYSA-N 0 0 379.412 3.392 40 5 GGBBRN CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000863314 570671337 /nfs/dbraw/zinc/67/13/37/570671337.db2.gz JUXRTAPUVUOTIU-KRWDZBQOSA-N 0 0 394.474 3.430 40 5 GGBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000005786082 570690326 /nfs/dbraw/zinc/69/03/26/570690326.db2.gz RASNFXKKZCYGDY-OAHLLOKOSA-N 0 0 388.807 3.340 40 5 GGBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccncc1 ZINC000000886901 570700567 /nfs/dbraw/zinc/70/05/67/570700567.db2.gz WABDJGJWEDHVCP-UHFFFAOYSA-N 0 0 398.448 3.307 40 5 GGBBRN C[C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025099402 570724603 /nfs/dbraw/zinc/72/46/03/570724603.db2.gz OONVSMYFKFRNSE-GFCCVEGCSA-N 0 0 397.387 3.127 40 5 GGBBRN C[C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025099406 570724661 /nfs/dbraw/zinc/72/46/61/570724661.db2.gz OONVSMYFKFRNSE-LBPRGKRZSA-N 0 0 397.387 3.127 40 5 GGBBRN CC(C)NC(=O)c1cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2oc1=O 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ZINC000005771024 564218309 /nfs/dbraw/zinc/21/83/09/564218309.db2.gz PTCBOYGMJUHOIE-UHFFFAOYSA-N 0 0 387.217 3.328 40 5 GGBBRN O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C31CC1 ZINC000006220280 564221590 /nfs/dbraw/zinc/22/15/90/564221590.db2.gz FFAHMWNZQNAWQE-DJBIQUGXSA-N 0 0 389.205 3.059 40 5 GGBBRN COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000006846859 564228176 /nfs/dbraw/zinc/22/81/76/564228176.db2.gz AHQHKHDQGMLREF-UHFFFAOYSA-N 0 0 381.182 3.383 40 5 GGBBRN Cn1sc2ccccc2c1=S=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006861522 564229332 /nfs/dbraw/zinc/22/93/32/564229332.db2.gz BPTHQGWMVRTFEL-UHFFFAOYSA-N 0 0 381.460 3.335 40 5 GGBBRN Cc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1[N+](=O)[O-] ZINC000006966949 564230296 /nfs/dbraw/zinc/23/02/96/564230296.db2.gz KASSSRABLOXUHG-UHFFFAOYSA-N 0 0 397.172 3.464 40 5 GGBBRN C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 ZINC000008401348 564249142 /nfs/dbraw/zinc/24/91/42/564249142.db2.gz WVTXMIZOTYKBNM-SECBINFHSA-N 0 0 375.328 3.456 40 5 GGBBRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1n[nH]c(C2CC2)n1 ZINC000012928816 564272249 /nfs/dbraw/zinc/27/22/49/564272249.db2.gz CAOJVAIVFBNTKQ-UHFFFAOYSA-N 0 0 394.356 3.035 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccccc1F ZINC000013675277 564278614 /nfs/dbraw/zinc/27/86/14/564278614.db2.gz WGKVTUZRPSRQLS-UHFFFAOYSA-N 0 0 384.454 3.254 40 5 GGBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(F)c1 ZINC000017076927 564297233 /nfs/dbraw/zinc/29/72/33/564297233.db2.gz ONOLBCJBBFRUIZ-UHFFFAOYSA-N 0 0 376.394 3.470 40 5 GGBBRN CCNc1nnc(SCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])s1 ZINC000018662838 564302295 /nfs/dbraw/zinc/30/22/95/564302295.db2.gz AOVGGQGCACBXPV-UHFFFAOYSA-N 0 0 383.455 3.008 40 5 GGBBRN COc1ccc(CSCC(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000031891878 564393560 /nfs/dbraw/zinc/39/35/60/564393560.db2.gz UOCJTYDUWHARKK-UHFFFAOYSA-N 0 0 382.467 3.450 40 5 GGBBRN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000044330280 564466488 /nfs/dbraw/zinc/46/64/88/564466488.db2.gz VEQRVOPCRSTKHI-UHFFFAOYSA-N 0 0 384.797 3.144 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000216336082 565895490 /nfs/dbraw/zinc/89/54/90/565895490.db2.gz NFIUUKDJANLSNN-UHFFFAOYSA-N 0 0 383.813 3.180 40 5 GGBBRN COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000223830568 565909663 /nfs/dbraw/zinc/90/96/63/565909663.db2.gz CQPGXHOXHLHURS-UHFFFAOYSA-N 0 0 384.797 3.144 40 5 GGBBRN COc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl ZINC000225040368 565912305 /nfs/dbraw/zinc/91/23/05/565912305.db2.gz NXKPXBYMPULJJB-UHFFFAOYSA-N 0 0 386.813 3.091 40 5 GGBBRN Cc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000225030517 565912591 /nfs/dbraw/zinc/91/25/91/565912591.db2.gz VQWLDEZTSNHVBP-UHFFFAOYSA-N 0 0 385.239 3.491 40 5 GGBBRN COc1cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000225015101 565912754 /nfs/dbraw/zinc/91/27/54/565912754.db2.gz XUYSZJAGJVGPOG-UHFFFAOYSA-N 0 0 386.813 3.091 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1Br ZINC000225077319 565913866 /nfs/dbraw/zinc/91/38/66/565913866.db2.gz ZTQQUGARWOSCMA-UHFFFAOYSA-N 0 0 385.239 3.491 40 5 GGBBRN CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(C)c1 ZINC000219825705 570221536 /nfs/dbraw/zinc/22/15/36/570221536.db2.gz ZJGYDSSHJLLXLA-UHFFFAOYSA-N 0 0 388.376 3.106 40 5 GGBBRN Cc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000006046495 570223022 /nfs/dbraw/zinc/22/30/22/570223022.db2.gz PNPHHWFWJBRFDZ-SFHVURJKSA-N 0 0 380.404 3.478 40 5 GGBBRN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000006052715 570229526 /nfs/dbraw/zinc/22/95/26/570229526.db2.gz KGQKXRFQYCWJKA-GOSISDBHSA-N 0 0 396.403 3.260 40 5 GGBBRN CC(C)CC(=O)N1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048356128 570242348 /nfs/dbraw/zinc/24/23/48/570242348.db2.gz VIVBLCWBCLRNQL-AWEZNQCLSA-N 0 0 393.509 3.229 40 5 GGBBRN CC(C)CC(=O)N1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048356127 570242540 /nfs/dbraw/zinc/24/25/40/570242540.db2.gz VIVBLCWBCLRNQL-CQSZACIVSA-N 0 0 393.509 3.229 40 5 GGBBRN COc1cccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000223408350 570242687 /nfs/dbraw/zinc/24/26/87/570242687.db2.gz UKHQTBSGKYBZKO-UHFFFAOYSA-N 0 0 376.434 3.032 40 5 GGBBRN COC(=O)c1cc(C(=O)N(C)CCCOc2ccccc2C)cc([N+](=O)[O-])c1 ZINC000048365752 570245969 /nfs/dbraw/zinc/24/59/69/570245969.db2.gz VOECKZXPEOWQOZ-UHFFFAOYSA-N 0 0 386.404 3.231 40 5 GGBBRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000014082227 570287309 /nfs/dbraw/zinc/28/73/09/570287309.db2.gz IWHHGCCLQRFNNC-UHFFFAOYSA-N 0 0 383.433 3.430 40 5 GGBBRN Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(O)c1 ZINC000024742916 570288601 /nfs/dbraw/zinc/28/86/01/570288601.db2.gz JYRRLLASRDIFMX-UHFFFAOYSA-N 0 0 375.812 3.225 40 5 GGBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000071858481 570293689 /nfs/dbraw/zinc/29/36/89/570293689.db2.gz YTHWABHCICCNHA-JTQLQIEISA-N 0 0 377.759 3.379 40 5 GGBBRN CCC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035291369 570304476 /nfs/dbraw/zinc/30/44/76/570304476.db2.gz GBOSLFQCULFTPD-IBGZPJMESA-N 0 0 399.499 3.360 40 5 GGBBRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000218283435 570329802 /nfs/dbraw/zinc/32/98/02/570329802.db2.gz FFOTZAQPJIZCQO-NSHDSACASA-N 0 0 397.840 3.041 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000024889616 570332796 /nfs/dbraw/zinc/33/27/96/570332796.db2.gz RAIVGRMHXFDJCC-UHFFFAOYSA-N 0 0 389.330 3.253 40 5 GGBBRN COc1ccc(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003514268 570341763 /nfs/dbraw/zinc/34/17/63/570341763.db2.gz KWCCNGREWCXNSO-UHFFFAOYSA-N 0 0 378.768 3.361 40 5 GGBBRN COCc1c2ccccc2oc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006236759 570345795 /nfs/dbraw/zinc/34/57/95/570345795.db2.gz ZQYQTGJYPNYBGM-UHFFFAOYSA-N 0 0 395.415 3.450 40 5 GGBBRN CNC(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 ZINC000000805427 570348212 /nfs/dbraw/zinc/34/82/12/570348212.db2.gz LZSFXFQRZGRNFX-AQTBWJFISA-N 0 0 391.383 3.372 40 5 GGBBRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3O)n2)cc1[N+](=O)[O-] ZINC000004891205 570357027 /nfs/dbraw/zinc/35/70/27/570357027.db2.gz YJNODCVHWIJKGY-UHFFFAOYSA-N 0 0 385.405 3.125 40 5 GGBBRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000010903784 570361316 /nfs/dbraw/zinc/36/13/16/570361316.db2.gz BTJHKKDBMJYOAE-UHFFFAOYSA-N 0 0 378.432 3.315 40 5 GGBBRN O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NCc1ccc(F)cc1Cl ZINC000004922902 570370099 /nfs/dbraw/zinc/37/00/99/570370099.db2.gz UJOUZCNVMKITSE-UHFFFAOYSA-N 0 0 398.181 3.472 40 5 GGBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000022960064 570379823 /nfs/dbraw/zinc/37/98/23/570379823.db2.gz PXZAINADXBCALQ-UHFFFAOYSA-N 0 0 391.449 3.232 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2cccnc2)n1 ZINC000004954333 570380359 /nfs/dbraw/zinc/38/03/59/570380359.db2.gz VIHBMYQGVGBPNE-LLVKDONJSA-N 0 0 384.421 3.203 40 5 GGBBRN COCCCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408576821 570383774 /nfs/dbraw/zinc/38/37/74/570383774.db2.gz NNHQLKDADLVNSW-UHFFFAOYSA-N 0 0 391.811 3.267 40 5 GGBBRN Cc1ccc2[nH]c3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nnc3c2c1 ZINC000004976310 570386114 /nfs/dbraw/zinc/38/61/14/570386114.db2.gz QDIUHLOPKXQHIS-UHFFFAOYSA-N 0 0 394.416 3.454 40 5 GGBBRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004973944 570386150 /nfs/dbraw/zinc/38/61/50/570386150.db2.gz VUMGEWVLBFCZER-UHFFFAOYSA-N 0 0 396.407 3.066 40 5 GGBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(C)c1OC ZINC000408618501 570387343 /nfs/dbraw/zinc/38/73/43/570387343.db2.gz DALRAVQCHBPGIT-UHFFFAOYSA-N 0 0 375.406 3.047 40 5 GGBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000408621781 570387548 /nfs/dbraw/zinc/38/75/48/570387548.db2.gz NXALOXQPCGYSKU-UHFFFAOYSA-N 0 0 393.808 3.146 40 5 GGBBRN Cc1ccnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000408625841 570387620 /nfs/dbraw/zinc/38/76/20/570387620.db2.gz FVOVTZOBVBDDQG-UHFFFAOYSA-N 0 0 385.449 3.025 40 5 GGBBRN O=C(NC(=S)NNc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408627785 570388241 /nfs/dbraw/zinc/38/82/41/570388241.db2.gz NSKORGUYHIHJGO-UHFFFAOYSA-N 0 0 382.401 3.486 40 5 GGBBRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000408629346 570388904 /nfs/dbraw/zinc/38/89/04/570388904.db2.gz XYADZEZBLPDNFA-UHFFFAOYSA-N 0 0 396.447 3.214 40 5 GGBBRN COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000000831364 570389928 /nfs/dbraw/zinc/38/99/28/570389928.db2.gz PQYLPVBWFBDCET-QGZVFWFLSA-N 0 0 394.474 3.348 40 5 GGBBRN CC(C)(C)c1csc(NC(=O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000032801937 570395330 /nfs/dbraw/zinc/39/53/30/570395330.db2.gz ILGXTBYEPJFMPG-RMKNXTFCSA-N 0 0 388.449 3.117 40 5 GGBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224095959 570422245 /nfs/dbraw/zinc/42/22/45/570422245.db2.gz GQCIKWJEFMGYHB-GOSISDBHSA-N 0 0 383.448 3.081 40 5 GGBBRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224138807 570423131 /nfs/dbraw/zinc/42/31/31/570423131.db2.gz JFMHCILHEUIEOA-LJQANCHMSA-N 0 0 397.475 3.389 40 5 GGBBRN O=[N+]([O-])c1ccc(Nc2nc3nonc3nc2Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006444954 570423465 /nfs/dbraw/zinc/42/34/65/570423465.db2.gz OJFIVYGJCZXLNE-UHFFFAOYSA-N 0 0 394.307 3.316 40 5 GGBBRN O=C(OCc1coc(-c2cccs2)n1)c1cc([N+](=O)[O-])ccc1NCCO ZINC000006465304 570441867 /nfs/dbraw/zinc/44/18/67/570441867.db2.gz POLRIRIPJKETIG-UHFFFAOYSA-N 0 0 389.389 3.073 40 5 GGBBRN Cc1ccc(NC(=O)[C@H](OC(=O)c2cnccn2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006486098 570449236 /nfs/dbraw/zinc/44/92/36/570449236.db2.gz PFAKILKJZGYUAS-GOSISDBHSA-N 0 0 392.371 3.230 40 5 GGBBRN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000845625 570460340 /nfs/dbraw/zinc/46/03/40/570460340.db2.gz NYAMVHFGTVKVPM-KRWDZBQOSA-N 0 0 398.444 3.035 40 5 GGBBRN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000024193279 570473171 /nfs/dbraw/zinc/47/31/71/570473171.db2.gz FKNDYSLKPYZZIS-IBGZPJMESA-N 0 0 383.448 3.015 40 5 GGBBRN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000024193277 570473292 /nfs/dbraw/zinc/47/32/92/570473292.db2.gz FKNDYSLKPYZZIS-LJQANCHMSA-N 0 0 383.448 3.015 40 5 GGBBRN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000024191523 570473363 /nfs/dbraw/zinc/47/33/63/570473363.db2.gz AEMGAOQRFMCESQ-UHFFFAOYSA-N 0 0 389.839 3.357 40 5 GGBBRN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000006406134 570479178 /nfs/dbraw/zinc/47/91/78/570479178.db2.gz HGUOSEFAIGNJDQ-UHFFFAOYSA-N 0 0 385.405 3.119 40 5 GGBBRN CC(C)C(=O)Nc1cccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000024211235 570479458 /nfs/dbraw/zinc/47/94/58/570479458.db2.gz MJUOMKGUPBLMLW-UHFFFAOYSA-N 0 0 391.449 3.205 40 5 GGBBRN CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000027645761 570503474 /nfs/dbraw/zinc/50/34/74/570503474.db2.gz USMAKGUTUFGNFX-UHFFFAOYSA-N 0 0 397.431 3.042 40 5 GGBBRN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000008197627 570523720 /nfs/dbraw/zinc/52/37/20/570523720.db2.gz GRQDBGVUEZEAPI-LBPRGKRZSA-N 0 0 391.449 3.232 40 5 GGBBRN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022728082 570537517 /nfs/dbraw/zinc/53/75/17/570537517.db2.gz UQBSHSFTKMUNNJ-LLVKDONJSA-N 0 0 388.811 3.424 40 5 GGBBRN O=C(COc1cccc(Cl)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000005802083 570542918 /nfs/dbraw/zinc/54/29/18/570542918.db2.gz GNNIUHSHMNFOCX-UHFFFAOYSA-N 0 0 379.752 3.237 40 5 GGBBRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000225038535 570544643 /nfs/dbraw/zinc/54/46/43/570544643.db2.gz HRNVADFNQBCZAS-UHFFFAOYSA-N 0 0 392.433 3.295 40 5 GGBBRN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1N1CCCC1=O ZINC000005329574 570552955 /nfs/dbraw/zinc/55/29/55/570552955.db2.gz ULGKEFDOJDLICG-UHFFFAOYSA-N 0 0 389.433 3.139 40 5 GGBBRN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1cccc([N+](=O)[O-])c1 ZINC000005338068 570555782 /nfs/dbraw/zinc/55/57/82/570555782.db2.gz BATWEGRVTRMRHV-FRKPEAEDSA-N 0 0 399.384 3.429 40 5 GGBBRN O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1 ZINC000214671291 570575624 /nfs/dbraw/zinc/57/56/24/570575624.db2.gz SPBDINLNFHANPY-XNTDXEJSSA-N 0 0 383.385 3.270 40 5 GGBBRN O=C(CCC(=O)c1cccs1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000002660431 570593831 /nfs/dbraw/zinc/59/38/31/570593831.db2.gz MYKPIIVYVZSXMQ-UHFFFAOYSA-N 0 0 377.374 3.229 40 5 GGBBRN COc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OC(C)=O ZINC000003283293 570601256 /nfs/dbraw/zinc/60/12/56/570601256.db2.gz CJOJHAOLVUYALB-OQLLNIDSSA-N 0 0 396.355 3.182 40 5 GGBBRN COc1ccc(Cn2ccc3nc4ccn(CC(C)C)c(=O)c4cc3c2=O)cc1 ZINC000040398790 570602343 /nfs/dbraw/zinc/60/23/43/570602343.db2.gz KTMSLQWZWRVWTO-UHFFFAOYSA-N 0 0 389.455 3.424 40 5 GGBBRN COc1ccc(Cn2ccc3nc4ccn(C(C)C)c(=O)c4cc3c2=O)cc1 ZINC000040398791 570602421 /nfs/dbraw/zinc/60/24/21/570602421.db2.gz JNUZDTSQGJBQTK-UHFFFAOYSA-N 0 0 375.428 3.349 40 5 GGBBRN C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003435429 570607713 /nfs/dbraw/zinc/60/77/13/570607713.db2.gz RWEFYTMTWPPCRV-GFCCVEGCSA-N 0 0 388.351 3.267 40 5 GGBBRN CCOC(=O)COc1ccc([C@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1 ZINC000004894763 570644497 /nfs/dbraw/zinc/64/44/97/570644497.db2.gz ADTBDJGXPNJHIT-LJQANCHMSA-N 0 0 385.372 3.388 40 5 GGBBRN O=[N+]([O-])c1cc2nc(N3CCCCC3)c(N3CCCCC3)nc2cc1[N+](=O)[O-] ZINC000005567209 570646433 /nfs/dbraw/zinc/64/64/33/570646433.db2.gz VJBIQZFWCZPVDC-UHFFFAOYSA-N 0 0 386.412 3.427 40 5 GGBBRN COc1cc(OC)c(OC)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000006846099 570646859 /nfs/dbraw/zinc/64/68/59/570646859.db2.gz FEROWHPSCDBHPZ-UHFFFAOYSA-N 0 0 380.784 3.204 40 5 GGBBRN O=C(CSc1nnc2c3cc(F)ccc3[nH]c2n1)Nc1ccccc1[N+](=O)[O-] ZINC000004976635 570655451 /nfs/dbraw/zinc/65/54/51/570655451.db2.gz RMUFXXJGFVPOJU-UHFFFAOYSA-N 0 0 398.379 3.284 40 5 GGBBRN Cn1c(=O)nc2n(-c3ccc4ccccc4c3)c3ccc([N+](=O)[O-])cc3cc-2c1=O ZINC000059497868 570659034 /nfs/dbraw/zinc/65/90/34/570659034.db2.gz FXYJVORXCOMTRW-UHFFFAOYSA-N 0 0 398.378 3.251 40 5 GGBBRN Nc1ccccc1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005589886 570661833 /nfs/dbraw/zinc/66/18/33/570661833.db2.gz DNWUPABNMFWQBI-LJQANCHMSA-N 0 0 383.429 3.245 40 5 GGBBRN Nc1ccccc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005589856 570661876 /nfs/dbraw/zinc/66/18/76/570661876.db2.gz DNWUPABNMFWQBI-IBGZPJMESA-N 0 0 383.429 3.245 40 5 GGBBRN CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013672793 570667209 /nfs/dbraw/zinc/66/72/09/570667209.db2.gz WMKGSKRRBCLQFC-UHFFFAOYSA-N 0 0 378.450 3.293 40 5 GGBBRN CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013673460 570667261 /nfs/dbraw/zinc/66/72/61/570667261.db2.gz IXWBWQWMTSYWFG-UHFFFAOYSA-N 0 0 378.450 3.293 40 5 GGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccccc1)S(C)(=O)=O ZINC000013711548 570670684 /nfs/dbraw/zinc/67/06/84/570670684.db2.gz IZXPCPTUPFDPNA-MRXNPFEDSA-N 0 0 391.449 3.087 40 5 GGBBRN CCOc1ccc(S(=O)(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000006601916 570671356 /nfs/dbraw/zinc/67/13/56/570671356.db2.gz YHZNJXYDNMSWJP-UHFFFAOYSA-N 0 0 396.377 3.133 40 5 GGBBRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000006965624 570722223 /nfs/dbraw/zinc/72/22/23/570722223.db2.gz OADQCLMJIMJYKR-UHFFFAOYSA-N 0 0 375.406 3.047 40 5 GGBBRN Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000917700 570725450 /nfs/dbraw/zinc/72/54/50/570725450.db2.gz YMQNZJNOAGOUPP-UHFFFAOYSA-N 0 0 376.438 3.358 40 5 GGBBRN CCOc1ccc(-c2nc(Cn3cc([N+](=O)[O-])ccc3=O)cs2)cc1OC ZINC000032667979 570732316 /nfs/dbraw/zinc/73/23/16/570732316.db2.gz PIRDRGWDUAYXFZ-UHFFFAOYSA-N 0 0 387.417 3.336 40 5 GGBBRN CN1CCN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2[N+](=O)[O-])CC1 ZINC000025156558 570734675 /nfs/dbraw/zinc/73/46/75/570734675.db2.gz YQGKSKBZBOJJGQ-UHFFFAOYSA-N 0 0 391.431 3.147 40 5 GGBBRN CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)CC ZINC000222397114 570736669 /nfs/dbraw/zinc/73/66/69/570736669.db2.gz QZSOOHARUHXSPL-UHFFFAOYSA-N 0 0 391.449 3.332 40 5 GGBBRN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1N(C)S(C)(=O)=O ZINC000222478439 570743254 /nfs/dbraw/zinc/74/32/54/570743254.db2.gz KJAURQDFLLSDBD-UHFFFAOYSA-N 0 0 397.840 3.205 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222496840 570744975 /nfs/dbraw/zinc/74/49/75/570744975.db2.gz LCLKDPVKTPCJKS-UHFFFAOYSA-N 0 0 397.840 3.205 40 5 GGBBRN Cc1c(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cccc1[N+](=O)[O-] ZINC000222497011 570745092 /nfs/dbraw/zinc/74/50/92/570745092.db2.gz OVTPANHAULJTAT-UHFFFAOYSA-N 0 0 397.840 3.205 40 5 GGBBRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000222630147 570749541 /nfs/dbraw/zinc/74/95/41/570749541.db2.gz PNAQKBXUYWWBLV-INIZCTEOSA-N 0 0 397.475 3.469 40 5 GGBBRN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000025457262 570753549 /nfs/dbraw/zinc/75/35/49/570753549.db2.gz HUNDDEIIEMIIBM-ZDUSSCGKSA-N 0 0 383.404 3.078 40 5 GGBBRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000222754410 570754314 /nfs/dbraw/zinc/75/43/14/570754314.db2.gz LKTPWQXFZCELFW-ROUUACIJSA-N 0 0 379.445 3.383 40 5 GGBBRN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1 ZINC000005868919 570799423 /nfs/dbraw/zinc/79/94/23/570799423.db2.gz MNYNYPCCDPJKHT-UHFFFAOYSA-N 0 0 399.432 3.428 40 5 GGBBRN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000007171167 570810161 /nfs/dbraw/zinc/81/01/61/570810161.db2.gz KJXCLLWEAQCQKA-LLVKDONJSA-N 0 0 389.795 3.391 40 5 GGBBRN CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000007254357 570820449 /nfs/dbraw/zinc/82/04/49/570820449.db2.gz JPJCTTZWCUCCCJ-IZZDOVSWSA-N 0 0 384.388 3.497 40 5 GGBBRN COC(=O)c1cc(C(=O)OCCCC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000005702481 570828144 /nfs/dbraw/zinc/82/81/44/570828144.db2.gz JSRCMEQECRRFSF-UHFFFAOYSA-N 0 0 389.335 3.340 40 5 GGBBRN C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000012528075 570832525 /nfs/dbraw/zinc/83/25/25/570832525.db2.gz BXFBYZULUQPCIJ-RDTXWAMCSA-N 0 0 397.497 3.139 40 5 GGBBRN COc1ccccc1OCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012536437 570836809 /nfs/dbraw/zinc/83/68/09/570836809.db2.gz OLYBUMSBSSWUMK-UHFFFAOYSA-N 0 0 385.420 3.012 40 5 GGBBRN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000007472782 570847667 /nfs/dbraw/zinc/84/76/67/570847667.db2.gz SMYKYGIATSFZQC-UHFFFAOYSA-N 0 0 385.405 3.119 40 5 GGBBRN Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000104261756 570899023 /nfs/dbraw/zinc/89/90/23/570899023.db2.gz QFHXXZWSRJRXBK-UHFFFAOYSA-N 0 0 393.224 3.203 40 5 GGBBRN Cc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 ZINC000220133641 570901574 /nfs/dbraw/zinc/90/15/74/570901574.db2.gz NKXXHNJAVVLFJE-CQSZACIVSA-N 0 0 391.449 3.005 40 5 GGBBRN O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000023101301 570904436 /nfs/dbraw/zinc/90/44/36/570904436.db2.gz HDGWDQMSJGKCTB-UHFFFAOYSA-N 0 0 395.463 3.120 40 5 GGBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000014831576 570907044 /nfs/dbraw/zinc/90/70/44/570907044.db2.gz URDNAIZNDSIZLM-SXSDINLZSA-N 0 0 395.415 3.156 40 5 GGBBRN COc1ccc(Cc2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1 ZINC000004586128 570919745 /nfs/dbraw/zinc/91/97/45/570919745.db2.gz DKWWDKQTBCTMHP-UHFFFAOYSA-N 0 0 381.417 3.144 40 5 GGBBRN CCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000017081442 570926504 /nfs/dbraw/zinc/92/65/04/570926504.db2.gz PDQYRMDBJSLUOW-UHFFFAOYSA-N 0 0 398.419 3.032 40 5 GGBBRN CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000017081443 570926530 /nfs/dbraw/zinc/92/65/30/570926530.db2.gz YABBHMSDHGYFMT-UHFFFAOYSA-N 0 0 398.419 3.032 40 5 GGBBRN Cc1cccc(N2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1C ZINC000032923126 570934530 /nfs/dbraw/zinc/93/45/30/570934530.db2.gz USELPFQYWCPFEN-UHFFFAOYSA-N 0 0 392.463 3.250 40 5 GGBBRN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000046914709 570936587 /nfs/dbraw/zinc/93/65/87/570936587.db2.gz AMVSXUNJUVIMKS-OPYAIIAOSA-N 0 0 392.459 3.147 40 5 GGBBRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224669897 570940820 /nfs/dbraw/zinc/94/08/20/570940820.db2.gz YUMIPNGMDWAQIZ-QGZVFWFLSA-N 0 0 397.475 3.389 40 5 GGBBRN O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000032930190 570942157 /nfs/dbraw/zinc/94/21/57/570942157.db2.gz NKQZHJVTBBSFNT-UHFFFAOYSA-N 0 0 394.353 3.407 40 5 GGBBRN O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000032930179 570942235 /nfs/dbraw/zinc/94/22/35/570942235.db2.gz WNJNOGMIYSVHML-UHFFFAOYSA-N 0 0 394.353 3.407 40 5 GGBBRN O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000224706183 570950639 /nfs/dbraw/zinc/95/06/39/570950639.db2.gz QQKIJGDFTSRICL-UHFFFAOYSA-N 0 0 389.839 3.010 40 5 GGBBRN O=C(NCc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000224707363 570950871 /nfs/dbraw/zinc/95/08/71/570950871.db2.gz NCVMAXSJFFUNTN-UHFFFAOYSA-N 0 0 389.839 3.010 40 5 GGBBRN CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224758678 570962467 /nfs/dbraw/zinc/96/24/67/570962467.db2.gz HZUBDTCFKXKLMG-UHFFFAOYSA-N 0 0 398.824 3.250 40 5 GGBBRN O=C(Nc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1)c1ccco1 ZINC000027213254 570966701 /nfs/dbraw/zinc/96/67/01/570966701.db2.gz JZZJLJCFZLHJHD-INIZCTEOSA-N 0 0 398.371 3.259 40 5 GGBBRN CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224771841 570967562 /nfs/dbraw/zinc/96/75/62/570967562.db2.gz UETGJANZOOVYJB-UHFFFAOYSA-N 0 0 392.433 3.295 40 5 GGBBRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224788643 570970682 /nfs/dbraw/zinc/97/06/82/570970682.db2.gz XZVOARDZLQLZJV-UHFFFAOYSA-N 0 0 392.433 3.295 40 5 GGBBRN CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000224789165 570970819 /nfs/dbraw/zinc/97/08/19/570970819.db2.gz CSUCCMGUYZYYFK-UHFFFAOYSA-N 0 0 392.433 3.213 40 5 GGBBRN Cc1cccc2c1ncn(CCC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c2=O ZINC000025834178 570975868 /nfs/dbraw/zinc/97/58/68/570975868.db2.gz SCILSMAONODYHE-HNNXBMFYSA-N 0 0 394.431 3.223 40 5 GGBBRN COc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1OC ZINC000045416712 570990983 /nfs/dbraw/zinc/99/09/83/570990983.db2.gz JBWPQCQUFVXCGW-UHFFFAOYSA-N 0 0 380.784 3.204 40 5 GGBBRN C[C@@H](C(=O)Nc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220399892 570998063 /nfs/dbraw/zinc/99/80/63/570998063.db2.gz VDUBRLMGDLKTFV-NSHDSACASA-N 0 0 397.840 3.041 40 5 GGBBRN Cc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 ZINC000220398853 570998357 /nfs/dbraw/zinc/99/83/57/570998357.db2.gz PADOBCNTIGIUGA-AWEZNQCLSA-N 0 0 391.449 3.005 40 5 GGBBRN Cc1nc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccc(F)cc1 ZINC000012752679 571006041 /nfs/dbraw/zinc/00/60/41/571006041.db2.gz KHLKGOUIPBWXNV-GFCCVEGCSA-N 0 0 383.383 3.456 40 5 GGBBRN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000220400223 571032669 /nfs/dbraw/zinc/03/26/69/571032669.db2.gz KQGMCDNELRZDRE-NSHDSACASA-N 0 0 397.840 3.041 40 5 GGBBRN Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000015638299 571033647 /nfs/dbraw/zinc/03/36/47/571033647.db2.gz ZLUWOFLPACBLOF-HNNXBMFYSA-N 0 0 383.404 3.064 40 5 GGBBRN COc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC ZINC000015700510 571046162 /nfs/dbraw/zinc/04/61/62/571046162.db2.gz NTUPEOVWWQNLRT-UHFFFAOYSA-N 0 0 399.447 3.145 40 5 GGBBRN O=C(/C=C/c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCOCC1 ZINC000002301204 1398306457 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OGCRMWOHFRPHSR-UHFFFAOYSA-N 0 0 396.403 3.299 40 5 GGBBRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc([N+](=O)[O-])ccc1C)cn2C ZINC000022237369 210407133 /nfs/dbraw/zinc/40/71/33/210407133.db2.gz BCDISYHKFYDYAW-UHFFFAOYSA-N 0 0 381.388 3.406 40 5 GGBBRN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 ZINC000020609589 210352415 /nfs/dbraw/zinc/35/24/15/210352415.db2.gz HTMPWQKCKRGSMZ-UHFFFAOYSA-N 0 0 380.389 3.322 40 5 GGBBRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl ZINC000020611721 210351904 /nfs/dbraw/zinc/35/19/04/210351904.db2.gz BTWVFPBCQKFAKO-UHFFFAOYSA-N 0 0 391.811 3.346 40 5 GGBBRN Cc1cccc(CSCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000020486702 210339810 /nfs/dbraw/zinc/33/98/10/210339810.db2.gz HLNSWJGXUMTOCX-UHFFFAOYSA-N 0 0 380.491 3.256 40 5 GGBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1C(C)C ZINC000020051119 210314444 /nfs/dbraw/zinc/31/44/44/210314444.db2.gz VZASHPRRGHOIKI-UHFFFAOYSA-N 0 0 379.442 3.069 40 5 GGBBRN O=c1c2c(ccn1-c1cccc([N+](=O)[O-])c1)nc1ncnn1c2-c1ccccc1 ZINC000019960190 210311617 /nfs/dbraw/zinc/31/16/17/210311617.db2.gz UDCAWANCCKSSRH-UHFFFAOYSA-N 0 0 384.355 3.004 40 5 GGBBRN O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1cccc([N+](=O)[O-])c1 ZINC000019958977 210311289 /nfs/dbraw/zinc/31/12/89/210311289.db2.gz BXNGOTXNAGFHHC-UHFFFAOYSA-N 0 0 399.410 3.252 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(C)c2C)CC1=O ZINC000408672622 533137031 /nfs/dbraw/zinc/13/70/31/533137031.db2.gz VQMFQNBPLWCDQH-AWEZNQCLSA-N 0 0 384.388 3.179 40 5 GGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1NC(C)=O ZINC000408584027 533224391 /nfs/dbraw/zinc/22/43/91/533224391.db2.gz ZNUJDVOJGLLJOC-UHFFFAOYSA-N 0 0 375.406 3.293 40 5 GGBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000408628163 533319294 /nfs/dbraw/zinc/31/92/94/533319294.db2.gz QDJIHLOHRLCOTB-UHFFFAOYSA-N 0 0 395.824 3.392 40 5 GGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000105394208 533447976 /nfs/dbraw/zinc/44/79/76/533447976.db2.gz XRDDJRLNCPKQEM-UHFFFAOYSA-N 0 0 396.699 3.326 40 5 GGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] ZINC000105393858 533448042 /nfs/dbraw/zinc/44/80/42/533448042.db2.gz VCYUXGQXBKETBT-UHFFFAOYSA-N 0 0 396.699 3.326 40 5 GGBBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c([N+](=O)[O-])cc1OC ZINC000409030375 533470232 /nfs/dbraw/zinc/47/02/32/533470232.db2.gz DAMRBXGSBTYMBS-DHDCSXOGSA-N 0 0 399.428 3.216 40 5 GGBBRN COC(=O)COc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-] ZINC000408544064 533554491 /nfs/dbraw/zinc/55/44/91/533554491.db2.gz RPTSZUDTQRZWMH-HYXAFXHYSA-N 0 0 397.181 3.376 40 5 GGBBRN COc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 ZINC000409135751 533605747 /nfs/dbraw/zinc/60/57/47/533605747.db2.gz ZVFLSWCEAHUHQD-UHFFFAOYSA-N 0 0 399.432 3.130 40 5 GGBBRN Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000010742204 136199287 /nfs/dbraw/zinc/19/92/87/136199287.db2.gz ZTRWJPIPAPOWSJ-UHFFFAOYSA-N 0 0 396.447 3.262 40 5 GGBBRN Cc1c(NC(=O)CN2CCN(c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000013056404 136201039 /nfs/dbraw/zinc/20/10/39/136201039.db2.gz JKNSMPUHRQIQFQ-UHFFFAOYSA-N 0 0 388.855 3.317 40 5 GGBBRN Cc1cc(C(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000015526213 136201892 /nfs/dbraw/zinc/20/18/92/136201892.db2.gz HWCIKSZRRIHRAJ-UHFFFAOYSA-N 0 0 396.447 3.262 40 5 GGBBRN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410875 136202646 /nfs/dbraw/zinc/20/26/46/136202646.db2.gz GDEBOSLAEYYVAN-UHFFFAOYSA-N 0 0 391.811 3.102 40 5 GGBBRN Cc1ccc(CSCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408706064 534104883 /nfs/dbraw/zinc/10/48/83/534104883.db2.gz UKGLICRNRRLOCO-UHFFFAOYSA-N 0 0 380.491 3.423 40 5 GGBBRN Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000408575362 534526213 /nfs/dbraw/zinc/52/62/13/534526213.db2.gz UNZCFBOALNYADZ-UHFFFAOYSA-N 0 0 387.446 3.343 40 5 GGBBRN O=C(NC(=S)NCc1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408624031 534780837 /nfs/dbraw/zinc/78/08/37/534780837.db2.gz AQKKYEXJGMFYTB-UHFFFAOYSA-N 0 0 398.488 3.390 40 5 GGBBRN O=C(NC(=S)NNc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408628486 534781541 /nfs/dbraw/zinc/78/15/41/534781541.db2.gz UFVVLZQGKPYTMH-UHFFFAOYSA-N 0 0 382.401 3.486 40 5 GGBBRN O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409321935 534802997 /nfs/dbraw/zinc/80/29/97/534802997.db2.gz JWWVZDGFVJIHED-PFONDFGASA-N 0 0 381.369 3.154 40 5 GGBBRN CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408642011 527367774 /nfs/dbraw/zinc/36/77/74/527367774.db2.gz NEMWVXQFJWEOFE-OAHLLOKOSA-N 0 0 381.388 3.097 40 5 GGBBRN CCCN1C(=O)N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409253143 528174629 /nfs/dbraw/zinc/17/46/29/528174629.db2.gz YUFNOBBOGISQCV-SFQUDFHCSA-N 0 0 381.388 3.477 40 5 GGBBRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O ZINC000409229444 528174757 /nfs/dbraw/zinc/17/47/57/528174757.db2.gz PACGWOIHQFBCSC-LDADJPATSA-N 0 0 381.388 3.477 40 5 GGBBRN CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409229767 528174854 /nfs/dbraw/zinc/17/48/54/528174854.db2.gz UUEZRGHPAXGZEI-SFQUDFHCSA-N 0 0 381.388 3.477 40 5 GGBBRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O ZINC000409240343 528175087 /nfs/dbraw/zinc/17/50/87/528175087.db2.gz GSJWXRVODLMYQY-LFIBNONCSA-N 0 0 381.388 3.477 40 5 GGBBRN CC(C)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000409137355 528193569 /nfs/dbraw/zinc/19/35/69/528193569.db2.gz WBNQDJGAZAXCBB-UHFFFAOYSA-N 0 0 391.449 3.123 40 5 GGBBRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408998618 528567491 /nfs/dbraw/zinc/56/74/91/528567491.db2.gz BNVKVLMWLQQWSQ-HNNXBMFYSA-N 0 0 394.424 3.260 40 5 GGBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cn1 ZINC000225872434 528702010 /nfs/dbraw/zinc/70/20/10/528702010.db2.gz YLWAAISYOJKNFX-UHFFFAOYSA-N 0 0 385.420 3.466 40 5 GGBBRN CCOC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC ZINC000408541895 528842209 /nfs/dbraw/zinc/84/22/09/528842209.db2.gz FJKBHVUDHNWEJC-VQHVLOKHSA-N 0 0 376.365 3.402 40 5 GGBBRN CCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409221075 528952245 /nfs/dbraw/zinc/95/22/45/528952245.db2.gz KNNFRWZIZKNQID-NTEUORMPSA-N 0 0 398.331 3.208 40 5 GGBBRN CCOC(=O)N[C@H](CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000408979990 529100915 /nfs/dbraw/zinc/10/09/15/529100915.db2.gz PDLPJCLEPNORFN-OAHLLOKOSA-N 0 0 387.392 3.419 40 5 GGBBRN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccccc1 ZINC000408638294 529238771 /nfs/dbraw/zinc/23/87/71/529238771.db2.gz QXHXQMWGJFZHNQ-CRAIPNDOSA-N 0 0 396.399 3.152 40 5 GGBBRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 ZINC000069209374 535036895 /nfs/dbraw/zinc/03/68/95/535036895.db2.gz UFYIEKJQBYEGCH-IQVOZAENSA-N 0 0 387.480 3.376 40 5 GGBBRN COc1cc(C(C)=O)ccc1OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016810867 536546535 /nfs/dbraw/zinc/54/65/35/536546535.db2.gz QOLPXBSDJUMYMO-UHFFFAOYSA-N 0 0 384.388 3.164 40 5 GGBBRN COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000057674833 537070610 /nfs/dbraw/zinc/07/06/10/537070610.db2.gz ARBMUTHJQIRYFU-MRXNPFEDSA-N 0 0 398.463 3.061 40 5 GGBBRN CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@H]41 ZINC000013374559 560215527 /nfs/dbraw/zinc/21/55/27/560215527.db2.gz JWPAJVNQGTWPMI-WSVYEEACSA-N 0 0 396.395 3.407 40 5 biogenic,in-vitro GGBBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1Br)OC2=O ZINC000001157496 564183793 /nfs/dbraw/zinc/18/37/93/564183793.db2.gz VFENXSBMYVPBTO-JKSUJKDBSA-N 0 0 397.225 3.418 40 5 GGBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@]1(C)CC1(Cl)Cl ZINC000003465583 564196995 /nfs/dbraw/zinc/19/69/95/564196995.db2.gz XXJZPUWPNBNUFA-CLAHSXSESA-N 0 0 391.207 3.058 40 5 GGBBRN Nc1ccc(C(=O)OCCOc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000005228718 564213894 /nfs/dbraw/zinc/21/38/94/564213894.db2.gz PDSATQCRQHILTJ-UHFFFAOYSA-N 0 0 381.182 3.175 40 5 GGBBRN COC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000006950310 564230354 /nfs/dbraw/zinc/23/03/54/564230354.db2.gz RPWQTSYFXKQGBS-UHFFFAOYSA-N 0 0 381.797 3.161 40 5 GGBBRN O=C1NC(=S)NC1=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000007208864 564233920 /nfs/dbraw/zinc/23/39/20/564233920.db2.gz KEGXQXFFWWNHGY-XFFZJAGNSA-N 0 0 375.793 3.386 40 5 GGBBRN Cc1ccc(CSCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000007688766 564240037 /nfs/dbraw/zinc/24/00/37/564240037.db2.gz AQYOVFNCHHKDNZ-UHFFFAOYSA-N 0 0 380.491 3.423 40 5 GGBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000008560758 564250115 /nfs/dbraw/zinc/25/01/15/564250115.db2.gz VSBDLLICJVESAG-UHFFFAOYSA-N 0 0 386.114 3.119 40 5 GGBBRN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2nsnc2c1 ZINC000021596000 564311283 /nfs/dbraw/zinc/31/12/83/564311283.db2.gz FFCLNIYDNUEMHW-UHFFFAOYSA-N 0 0 393.837 3.380 40 5 GGBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000036773851 564418368 /nfs/dbraw/zinc/41/83/68/564418368.db2.gz ORQKDHOZJVXCLP-UHFFFAOYSA-N 0 0 379.869 3.197 40 5 GGBBRN Cc1ccccc1CSCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000044901148 564475524 /nfs/dbraw/zinc/47/55/24/564475524.db2.gz HSYXDTJFTMWTCF-UHFFFAOYSA-N 0 0 380.491 3.256 40 5 GGBBRN O=C(CCc1ccccc1Br)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000048200954 564533613 /nfs/dbraw/zinc/53/36/13/564533613.db2.gz NKTOAMYTPBKRKF-INIZCTEOSA-N 0 0 393.237 3.140 40 5 GGBBRN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)cs1 ZINC000048367793 564537237 /nfs/dbraw/zinc/53/72/37/564537237.db2.gz LBOQGEIBBJNCKF-UHFFFAOYSA-N 0 0 384.255 3.489 40 5 GGBBRN CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057014514 564657153 /nfs/dbraw/zinc/65/71/53/564657153.db2.gz YYSDBXGAWMCUJF-UHFFFAOYSA-N 0 0 389.202 3.322 40 5 GGBBRN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000058171590 564680324 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GGBBRN COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Br ZINC000006846875 220971293 /nfs/dbraw/zinc/97/12/93/220971293.db2.gz UUAMSJWVNCKGKI-UHFFFAOYSA-N 0 0 381.182 3.383 40 5 GGBBRN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000007171171 220988599 /nfs/dbraw/zinc/98/85/99/220988599.db2.gz KJXCLLWEAQCQKA-NSHDSACASA-N 0 0 389.795 3.391 40 5 GGBBRN COc1ccc(-c2noc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000007759345 221010507 /nfs/dbraw/zinc/01/05/07/221010507.db2.gz GBHMCHXGDBINBA-UHFFFAOYSA-N 0 0 388.767 3.237 40 5 GGBBRN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007530642 221001159 /nfs/dbraw/zinc/00/11/59/221001159.db2.gz HZYDFZNIQUILNL-UHFFFAOYSA-N 0 0 388.376 3.065 40 5 GGBBRN C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000007564763 221002205 /nfs/dbraw/zinc/00/22/05/221002205.db2.gz RHHQVNOGKANVFJ-QMMMGPOBSA-N 0 0 378.341 3.496 40 5 GGBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1cc(=O)n2ccsc2n1 ZINC000008036590 221025078 /nfs/dbraw/zinc/02/50/78/221025078.db2.gz WCPBLFDUBJYVDR-DUXPYHPUSA-N 0 0 391.792 3.074 40 5 GGBBRN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000008307868 221036050 /nfs/dbraw/zinc/03/60/50/221036050.db2.gz NDPOJYOSXYUOEJ-UHFFFAOYSA-N 0 0 386.383 3.019 40 5 GGBBRN Cc1ccc(N2C(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2C)cc1 ZINC000008637967 221048522 /nfs/dbraw/zinc/04/85/22/221048522.db2.gz PHTNQFZWSBRVIG-AWEZNQCLSA-N 0 0 396.403 3.007 40 5 GGBBRN O=C1N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2[C@@]1(O)[C@@H]1CCCCCC1=O ZINC000012377259 221186148 /nfs/dbraw/zinc/18/61/48/221186148.db2.gz HPIFBOJEIBTWIA-XMSQKQJNSA-N 0 0 394.427 3.479 40 5 GGBBRN O=C(CCc1ncc(-c2ccccc2)o1)NCCNc1ccccc1[N+](=O)[O-] ZINC000012734650 221222795 /nfs/dbraw/zinc/22/27/95/221222795.db2.gz CICQVQFRSCWBQY-UHFFFAOYSA-N 0 0 380.404 3.411 40 5 GGBBRN Cc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000012887567 221242745 /nfs/dbraw/zinc/24/27/45/221242745.db2.gz RFBYXDFPBIKQBF-HUUCEWRRSA-N 0 0 397.431 3.405 40 5 GGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)cc1 ZINC000012947362 221250344 /nfs/dbraw/zinc/25/03/44/221250344.db2.gz PAZPDJGVORKADJ-UHFFFAOYSA-N 0 0 375.431 3.197 40 5 GGBBRN Cc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1[N+](=O)[O-] ZINC000013667762 221279340 /nfs/dbraw/zinc/27/93/40/221279340.db2.gz HKVYUJFOQIPUOQ-UHFFFAOYSA-N 0 0 384.454 3.254 40 5 GGBBRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000015197253 221333726 /nfs/dbraw/zinc/33/37/26/221333726.db2.gz HMDXUSVCZFNHBH-JTQLQIEISA-N 0 0 382.825 3.143 40 5 GGBBRN CC(=O)c1ccc(Sc2nnc(NC[C@@H]3CCCO3)s2)c([N+](=O)[O-])c1 ZINC000015140899 221333891 /nfs/dbraw/zinc/33/38/91/221333891.db2.gz WHGPRKFMVADZEV-NSHDSACASA-N 0 0 380.451 3.391 40 5 GGBBRN CCc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000015381812 221334990 /nfs/dbraw/zinc/33/49/90/221334990.db2.gz AYEMOZHJRIGQPH-UHFFFAOYSA-N 0 0 395.459 3.469 40 5 GGBBRN Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000015674385 221338664 /nfs/dbraw/zinc/33/86/64/221338664.db2.gz SMQBDXGOXVNMKU-MSOLQXFVSA-N 0 0 380.404 3.261 40 5 biogenic,in-vitro GGBBRN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015674941 221339060 /nfs/dbraw/zinc/33/90/60/221339060.db2.gz YRWHTCSTIPMBSZ-WBVHZDCISA-N 0 0 384.367 3.092 40 5 biogenic,in-vitro GGBBRN C[C@@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccnc1Cl ZINC000015798870 221345677 /nfs/dbraw/zinc/34/56/77/221345677.db2.gz QCUPUXVZKXWJAI-ANYFNZRUSA-N 0 0 375.768 3.227 40 5 GGBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016401732 221361401 /nfs/dbraw/zinc/36/14/01/221361401.db2.gz YTUQDFOFCITVEC-VZJWBNGJSA-N 0 0 390.395 3.485 40 5 GGBBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=N)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000016687796 221367818 /nfs/dbraw/zinc/36/78/18/221367818.db2.gz GKSNSPLJFDRNQT-RIYZIHGNSA-N 0 0 387.373 3.170 40 5 GGBBRN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 ZINC000017080967 221378432 /nfs/dbraw/zinc/37/84/32/221378432.db2.gz SCRPSGRPPNDACN-UHFFFAOYSA-N 0 0 396.388 3.209 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000019931716 221465408 /nfs/dbraw/zinc/46/54/08/221465408.db2.gz ZAMYPSQLODOURR-UHFFFAOYSA-N 0 0 389.433 3.139 40 5 GGBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020496240 221496287 /nfs/dbraw/zinc/49/62/87/221496287.db2.gz JLQPGWNAJKYXDN-JXMROGBWSA-N 0 0 381.304 3.205 40 5 GGBBRN COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611819 221505371 /nfs/dbraw/zinc/50/53/71/221505371.db2.gz QOLASCGTNTWCDD-RUDMXATFSA-N 0 0 383.404 3.092 40 5 GGBBRN NS(=O)(=O)c1ccc(N2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000040135322 132399492 /nfs/dbraw/zinc/39/94/92/132399492.db2.gz GOSIVRLRZJDIBZ-UHFFFAOYSA-N 0 0 391.424 3.065 40 5 GGBBRN Cc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 ZINC000048324540 132432240 /nfs/dbraw/zinc/43/22/40/132432240.db2.gz PLCDGNKMCCURPO-UHFFFAOYSA-N 0 0 398.341 3.309 40 5 GGBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000072229246 136167650 /nfs/dbraw/zinc/16/76/50/136167650.db2.gz OCXTYMDHBCSWGP-UHFFFAOYSA-N 0 0 379.775 3.476 40 5 GGBBRN O=C(COc1ccccc1)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl ZINC000072229604 136167760 /nfs/dbraw/zinc/16/77/60/136167760.db2.gz UYZOWKSJNWRMIW-UHFFFAOYSA-N 0 0 391.811 3.102 40 5 GGBBRN CCN1CCN(c2c(Br)cc([N+](=O)[O-])cc2Br)CC1 ZINC000226316807 136192632 /nfs/dbraw/zinc/19/26/32/136192632.db2.gz KUWLGPLOQZAEJE-UHFFFAOYSA-N 0 0 393.079 3.262 40 5 GGBBRN O=C(Nc1cccc2cccnc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006269370 136195099 /nfs/dbraw/zinc/19/50/99/136195099.db2.gz FLLVMCSRJRXSIX-UHFFFAOYSA-N 0 0 378.388 3.232 40 5 GGBBRN C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014923941 136201790 /nfs/dbraw/zinc/20/17/90/136201790.db2.gz BTMBWJQQFXOPQU-ZDUSSCGKSA-N 0 0 390.390 3.022 40 5 GGBBRN CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 ZINC000195532228 136202575 /nfs/dbraw/zinc/20/25/75/136202575.db2.gz UFYIEKJQBYEGCH-DHUIEDIVSA-N 0 0 387.480 3.376 40 5 GGBBRN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020410785 136202630 /nfs/dbraw/zinc/20/26/30/136202630.db2.gz STVIXIOOJTZNOX-UHFFFAOYSA-N 0 0 385.420 3.471 40 5 GGBBRN Cc1c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000222553990 136204859 /nfs/dbraw/zinc/20/48/59/136204859.db2.gz VQOXCKULWMKUOX-UHFFFAOYSA-N 0 0 389.433 3.086 40 5 GGBBRN COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000021625201 221535448 /nfs/dbraw/zinc/53/54/48/221535448.db2.gz LRKGBJJHQKOCIL-SFHVURJKSA-N 0 0 397.431 3.005 40 5 GGBBRN CC(C)c1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000022390015 221558899 /nfs/dbraw/zinc/55/88/99/221558899.db2.gz ZVXPPYHPEXSTJY-UHFFFAOYSA-N 0 0 391.449 3.123 40 5 GGBBRN O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3cccc([N+](=O)[O-])c3)c12 ZINC000022606789 221563845 /nfs/dbraw/zinc/56/38/45/221563845.db2.gz BFKCMYCFOGCPBG-UHFFFAOYSA-N 0 0 399.410 3.456 40 5 GGBBRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000023601614 221601258 /nfs/dbraw/zinc/60/12/58/221601258.db2.gz HZUXWZXXQQMEFE-UHFFFAOYSA-N 0 0 394.330 3.240 40 5 GGBBRN O=C(COC(=O)CCc1ccco1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000025211731 221626850 /nfs/dbraw/zinc/62/68/50/221626850.db2.gz CQXLLPAYBVSOHZ-UHFFFAOYSA-N 0 0 397.181 3.065 40 5 GGBBRN O=C(Cc1csc(Cc2ccccc2)n1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000025268516 221628352 /nfs/dbraw/zinc/62/83/52/221628352.db2.gz YYBGECWMCSPCMQ-UHFFFAOYSA-N 0 0 396.472 3.413 40 5 GGBBRN Cc1sc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000032307126 221720481 /nfs/dbraw/zinc/72/04/81/221720481.db2.gz ALLLDRQMHMYJMO-UHFFFAOYSA-N 0 0 387.461 3.308 40 5 GGBBRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000032931515 221753853 /nfs/dbraw/zinc/75/38/53/221753853.db2.gz IUFNBJHNPJWEGH-UHFFFAOYSA-N 0 0 399.422 3.211 40 5 GGBBRN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000036811989 221867839 /nfs/dbraw/zinc/86/78/39/221867839.db2.gz LYYJKEPXIPCVLJ-UHFFFAOYSA-N 0 0 385.239 3.178 40 5 GGBBRN Cc1c(CSc2nc3ccccc3c(=O)n2CCCO)cccc1[N+](=O)[O-] ZINC000040123079 221909893 /nfs/dbraw/zinc/90/98/93/221909893.db2.gz IURHXWKYZVLACD-UHFFFAOYSA-N 0 0 385.445 3.288 40 5 GGBBRN O=c1c2cc3c(ccn(Cc4ccncc4)c3=O)nc2ccn1Cc1ccccc1 ZINC000040398775 221921720 /nfs/dbraw/zinc/92/17/20/221921720.db2.gz XDLMQRHAFGXFGF-UHFFFAOYSA-N 0 0 394.434 3.203 40 5 GGBBRN C[C@@H]1CCCC[C@@H]1n1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O ZINC000040399045 221922026 /nfs/dbraw/zinc/92/20/26/221922026.db2.gz DULVXWJKHKZCFL-ACJLOTCBSA-N 0 0 375.432 3.175 40 5 GGBBRN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCc3ccccc3)CC2)c1 ZINC000053666840 222011392 /nfs/dbraw/zinc/01/13/92/222011392.db2.gz PMRSZXQFESILAY-UHFFFAOYSA-N 0 0 385.489 3.317 40 5 GGBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000058008389 222037413 /nfs/dbraw/zinc/03/74/13/222037413.db2.gz AGDOTVYTXOCMAF-RCQQVGEISA-N 0 0 385.807 3.183 40 5 GGBBRN Cc1ccccc1NC1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000058167691 222042559 /nfs/dbraw/zinc/04/25/59/222042559.db2.gz YHZLCGZAJGTKLH-UHFFFAOYSA-N 0 0 389.477 3.477 40 5 GGBBRN O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000058690144 222055560 /nfs/dbraw/zinc/05/55/60/222055560.db2.gz DDLLLUPONYWRIK-CYBMUJFWSA-N 0 0 385.807 3.190 40 5 GGBBRN COc1cc(OCC(=O)NCCSCc2ccccc2F)ccc1[N+](=O)[O-] ZINC000066017368 222136276 /nfs/dbraw/zinc/13/62/76/222136276.db2.gz SZFWKZQAACIWLD-UHFFFAOYSA-N 0 0 394.424 3.171 40 5 GGBBRN COc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(OC)cc1Cl ZINC000066015889 222136582 /nfs/dbraw/zinc/13/65/82/222136582.db2.gz QLCACSXSYLWXJV-UHFFFAOYSA-N 0 0 396.783 3.292 40 5 GGBBRN COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000066016570 222136688 /nfs/dbraw/zinc/13/66/88/222136688.db2.gz GZYQGRIHRNLQNT-UHFFFAOYSA-N 0 0 394.767 3.061 40 5 GGBBRN Cc1nc2ccccc2c2c(NC(=O)[C@H](C)S(C)(=O)=O)c3ccccc3n21 ZINC000079038389 222302474 /nfs/dbraw/zinc/30/24/74/222302474.db2.gz HQVBLBKYCUBKTJ-LBPRGKRZSA-N 0 0 381.457 3.321 40 5 GGBBRN O=[N+]([O-])c1ccc([C@@H](O)CN=C2NC=N[C@@H]3SCC(c4ccccc4)=C23)cc1 ZINC000096035801 222372599 /nfs/dbraw/zinc/37/25/99/222372599.db2.gz WMVAHRNVLNIZOC-CMKODMSKSA-N 0 0 394.456 3.388 40 5 GGBBRN O=[N+]([O-])c1ccc([C@@H](O)CN=C2NC=N[C@H]3SCC(c4ccccc4)=C23)cc1 ZINC000096035804 222372896 /nfs/dbraw/zinc/37/28/96/222372896.db2.gz WMVAHRNVLNIZOC-NSHGMRRFSA-N 0 0 394.456 3.388 40 5 GGBBRN COc1ccc2c(c1)OCC(/C=C1/N=C(c3cccc([N+](=O)[O-])c3)OC1=O)=C2 ZINC000098003000 222451849 /nfs/dbraw/zinc/45/18/49/222451849.db2.gz MKWMOMPCCFLZNQ-CAOOACKPSA-N 0 0 378.340 3.267 40 5 GGBBRN COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000113896382 222520873 /nfs/dbraw/zinc/52/08/73/222520873.db2.gz VWDQNURQPIRKEQ-UHFFFAOYSA-N 0 0 392.433 3.087 40 5 GGBBRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408640872 533878129 /nfs/dbraw/zinc/87/81/29/533878129.db2.gz KBSQRIXGEFVIJC-LLVKDONJSA-N 0 0 389.795 3.248 40 5 GGBBRN COc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C ZINC000010543756 533888709 /nfs/dbraw/zinc/88/87/09/533888709.db2.gz JMOVIFMTKNEXMQ-UHFFFAOYSA-N 0 0 394.449 3.178 40 5 GGBBRN COc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c(OC)c1 ZINC000032777297 534086112 /nfs/dbraw/zinc/08/61/12/534086112.db2.gz HKYMOYGXPCZQFG-UHFFFAOYSA-N 0 0 389.389 3.484 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000409392530 534340173 /nfs/dbraw/zinc/34/01/73/534340173.db2.gz QCNSYGNFYWAPOB-UHFFFAOYSA-N 0 0 387.377 3.419 40 5 GGBBRN O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000059475443 534706109 /nfs/dbraw/zinc/70/61/09/534706109.db2.gz DSTATPYLXHHKES-UHFFFAOYSA-N 0 0 383.257 3.352 40 5 GGBBRN Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000408620535 534747422 /nfs/dbraw/zinc/74/74/22/534747422.db2.gz JXCHHXNGJFKOOG-UHFFFAOYSA-N 0 0 399.476 3.415 40 5 GGBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409181365 527118139 /nfs/dbraw/zinc/11/81/39/527118139.db2.gz BIJUXTBYOGHELL-UHFFFAOYSA-N 0 0 377.736 3.213 40 5 GGBBRN CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408642008 527370193 /nfs/dbraw/zinc/37/01/93/527370193.db2.gz NEMWVXQFJWEOFE-HNNXBMFYSA-N 0 0 381.388 3.097 40 5 GGBBRN CC(C)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000409028635 528111222 /nfs/dbraw/zinc/11/12/22/528111222.db2.gz OUXZJBVIFVPQJV-UHFFFAOYSA-N 0 0 391.449 3.123 40 5 GGBBRN CCC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000006386270 528392344 /nfs/dbraw/zinc/39/23/44/528392344.db2.gz QCWAPYFUDXFPLJ-IZZDOVSWSA-N 0 0 398.444 3.470 40 5 GGBBRN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(C)=O ZINC000408556382 528587989 /nfs/dbraw/zinc/58/79/89/528587989.db2.gz IDODJIDKZOGGQH-UHFFFAOYSA-N 0 0 393.421 3.061 40 5 GGBBRN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101075237 528610539 /nfs/dbraw/zinc/61/05/39/528610539.db2.gz OQTSTRMAGBTNRN-FHWLQOOXSA-N 0 0 395.415 3.319 40 5 GGBBRN CCN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O ZINC000409231620 528952814 /nfs/dbraw/zinc/95/28/14/528952814.db2.gz DFVRBKFGLLGBFZ-OQLLNIDSSA-N 0 0 397.387 3.095 40 5 GGBBRN CCc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004889792 536162710 /nfs/dbraw/zinc/16/27/10/536162710.db2.gz RUIKVMLLRHZPHJ-UHFFFAOYSA-N 0 0 398.415 3.034 40 5 GGBBRN O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000003012201 564192427 /nfs/dbraw/zinc/19/24/27/564192427.db2.gz YBCWTMMIIQDJTC-UHFFFAOYSA-N 0 0 387.167 3.098 40 5 GGBBRN O=c1cc(COc2cc(F)ccc2[N+](=O)[O-])nc2ccc(Br)cn12 ZINC000003536534 564198111 /nfs/dbraw/zinc/19/81/11/564198111.db2.gz OOQUSHGRVVNINS-UHFFFAOYSA-N 0 0 394.156 3.083 40 5 GGBBRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003506553 564198298 /nfs/dbraw/zinc/19/82/98/564198298.db2.gz YGZGTGXCGJCAKO-UHFFFAOYSA-N 0 0 393.193 3.461 40 5 GGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000004687725 564204993 /nfs/dbraw/zinc/20/49/93/564204993.db2.gz OYLJGQQMCYJHKT-UHFFFAOYSA-N 0 0 386.882 3.460 40 5 GGBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@H]1C=C[C@@H]2CC1 ZINC000004953578 564210666 /nfs/dbraw/zinc/21/06/66/564210666.db2.gz BPWMWNACLRHPAX-OGXIQJDLSA-N 0 0 377.194 3.059 40 5 GGBBRN Cc1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000005259839 564214376 /nfs/dbraw/zinc/21/43/76/564214376.db2.gz XZNXDCSOUIZXQR-UHFFFAOYSA-N 0 0 381.841 3.239 40 5 GGBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1 ZINC000005717261 564218204 /nfs/dbraw/zinc/21/82/04/564218204.db2.gz QBYVTIKDWTVXKL-UHFFFAOYSA-N 0 0 382.157 3.381 40 5 GGBBRN O=C(OCc1cc2c(cc1Br)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000005673011 564218398 /nfs/dbraw/zinc/21/83/98/564218398.db2.gz MOQAIMDVDYBGTO-UHFFFAOYSA-N 0 0 394.177 3.486 40 5 GGBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1F ZINC000017076926 564296919 /nfs/dbraw/zinc/29/69/19/564296919.db2.gz XMORCDKYTFXCDB-UHFFFAOYSA-N 0 0 376.394 3.470 40 5 GGBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(F)cc1 ZINC000017076928 564297232 /nfs/dbraw/zinc/29/72/32/564297232.db2.gz DQXKIJCTMLYHGS-UHFFFAOYSA-N 0 0 376.394 3.470 40 5 GGBBRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000020062763 564305369 /nfs/dbraw/zinc/30/53/69/564305369.db2.gz SMTAJCDUVFXSEW-UHFFFAOYSA-N 0 0 383.813 3.262 40 5 GGBBRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000020461684 564306580 /nfs/dbraw/zinc/30/65/80/564306580.db2.gz PIXNMPMMJBTMOH-UHFFFAOYSA-N 0 0 384.797 3.226 40 5 GGBBRN CCOc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1[N+](=O)[O-] ZINC000021595915 564310894 /nfs/dbraw/zinc/31/08/94/564310894.db2.gz VSUSELSLWLJUFB-UHFFFAOYSA-N 0 0 380.813 3.169 40 5 GGBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccccc2F)c1 ZINC000030867095 564384826 /nfs/dbraw/zinc/38/48/26/564384826.db2.gz FJAXLVRBEHUQOF-UHFFFAOYSA-N 0 0 384.454 3.087 40 5 GGBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccccc2Cl)c1 ZINC000033571114 564412903 /nfs/dbraw/zinc/41/29/03/564412903.db2.gz JPMAQQFLSVZIRG-UHFFFAOYSA-N 0 0 386.882 3.460 40 5 GGBBRN Cc1cc(C(=O)Nc2ncccc2I)ccc1[N+](=O)[O-] ZINC000040158510 564426799 /nfs/dbraw/zinc/42/67/99/564426799.db2.gz PUGRXSCVNXIVCP-UHFFFAOYSA-N 0 0 383.145 3.155 40 5 GGBBRN O=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000048200957 564533701 /nfs/dbraw/zinc/53/37/01/564533701.db2.gz NKTOAMYTPBKRKF-MRXNPFEDSA-N 0 0 393.237 3.140 40 5 GGBBRN COc1ccc(C(=O)NCc2cc(F)ccc2Br)cc1[N+](=O)[O-] ZINC000048362882 564537269 /nfs/dbraw/zinc/53/72/69/564537269.db2.gz ZSEAQNDMWDYVBO-UHFFFAOYSA-N 0 0 383.173 3.435 40 5 GGBBRN O=C(N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)C(Cl)(Cl)Cl ZINC000070461924 564848920 /nfs/dbraw/zinc/84/89/20/564848920.db2.gz BNUCCCYWZSJPDB-UHFFFAOYSA-N 0 0 387.050 3.267 40 5 GGBBRN Cc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000224768755 565911250 /nfs/dbraw/zinc/91/12/50/565911250.db2.gz HOTHLALWIBRMAL-UHFFFAOYSA-N 0 0 385.239 3.491 40 5 GGBBRN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000224905565 565912261 /nfs/dbraw/zinc/91/22/61/565912261.db2.gz XXFQXKJGIDTVBS-UHFFFAOYSA-N 0 0 383.813 3.032 40 5 GGBBRN C[C@@]1(c2cccc(Br)c2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225342628 565913471 /nfs/dbraw/zinc/91/34/71/565913471.db2.gz QKCPHSXUNNSQAR-OAHLLOKOSA-N 0 0 393.266 3.429 40 5 GGBBRN C[C@]1(c2cccc(Br)c2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 ZINC000225342668 565914040 /nfs/dbraw/zinc/91/40/40/565914040.db2.gz QKCPHSXUNNSQAR-HNNXBMFYSA-N 0 0 393.266 3.429 40 5 GGBBRN NC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000226334739 565919664 /nfs/dbraw/zinc/91/96/64/565919664.db2.gz HUBKARHCARGBPZ-XBXARRHUSA-N 0 0 377.194 3.435 40 5 GGBBRN CCCCSc1n[n+]2c(C)nc3ccc(Br)cc3c2c(=O)[n-]1 ZINC000588227647 567122058 /nfs/dbraw/zinc/12/20/58/567122058.db2.gz KTXPFWGBRWLUMT-UHFFFAOYSA-O 0 0 380.291 3.020 40 5 GGBBRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H](C(F)(F)F)C1 ZINC000048260285 570224138 /nfs/dbraw/zinc/22/41/38/570224138.db2.gz FMTOGIHHVSZISL-MRVPVSSYSA-N 0 0 377.275 3.068 40 5 GGBBRN Cc1ccc(C)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000006052683 570229730 /nfs/dbraw/zinc/22/97/30/570229730.db2.gz VXFBYZIYHXGUFA-SFHVURJKSA-N 0 0 380.404 3.478 40 5 GGBBRN O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000048355123 570243614 /nfs/dbraw/zinc/24/36/14/570243614.db2.gz JPDWCRVZFMOABY-UHFFFAOYSA-N 0 0 397.431 3.419 40 5 GGBBRN Cc1ccc([N+](=O)[O-])c(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000048366443 570246371 /nfs/dbraw/zinc/24/63/71/570246371.db2.gz IORGNWMLAOORPY-UHFFFAOYSA-N 0 0 384.432 3.147 40 5 GGBBRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000006126425 570264135 /nfs/dbraw/zinc/26/41/35/570264135.db2.gz AVTYKFVBMMUJIN-UHFFFAOYSA-N 0 0 392.751 3.074 40 5 GGBBRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000024649835 570277409 /nfs/dbraw/zinc/27/74/09/570277409.db2.gz BQGNVCZIWHFWJJ-UHFFFAOYSA-N 0 0 398.371 3.167 40 5 GGBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000006170078 570278876 /nfs/dbraw/zinc/27/88/76/570278876.db2.gz FEQVETREHHBICV-UHFFFAOYSA-N 0 0 387.373 3.237 40 5 GGBBRN COc1cc(OCC(=O)Nc2nnc(SCC(C)C)s2)ccc1[N+](=O)[O-] ZINC000223507030 570281667 /nfs/dbraw/zinc/28/16/67/570281667.db2.gz AIYRLMSXSYEUBQ-UHFFFAOYSA-N 0 0 398.466 3.221 40 5 GGBBRN CCc1ccc(C(=O)N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000024744387 570288520 /nfs/dbraw/zinc/28/85/20/570288520.db2.gz LDDTVUHPLVHKKV-UHFFFAOYSA-N 0 0 382.420 3.147 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)c2c(n1)CCCC2 ZINC000014152334 570293078 /nfs/dbraw/zinc/29/30/78/570293078.db2.gz HCPUEYIXGYCWSP-UHFFFAOYSA-N 0 0 388.449 3.311 40 5 GGBBRN COc1ccc(NC(=O)CSc2ccccc2NC(C)=O)c([N+](=O)[O-])c1 ZINC000014152464 570293407 /nfs/dbraw/zinc/29/34/07/570293407.db2.gz QMWRNHUPUJISBG-UHFFFAOYSA-N 0 0 375.406 3.293 40 5 GGBBRN Cc1cc(F)c2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000043267373 570297837 /nfs/dbraw/zinc/29/78/37/570297837.db2.gz WDOBIDMMADKIAJ-UHFFFAOYSA-N 0 0 399.422 3.472 40 5 GGBBRN O=C(c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)N1CCCCC1 ZINC000003111360 570299590 /nfs/dbraw/zinc/29/95/90/570299590.db2.gz RTJDHIDURKPNIT-UHFFFAOYSA-N 0 0 379.372 3.022 40 5 GGBBRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000003459133 570300435 /nfs/dbraw/zinc/30/04/35/570300435.db2.gz TXXPIOFGBXXSMN-UHFFFAOYSA-N 0 0 386.389 3.384 40 5 GGBBRN CCC[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035291371 570304403 /nfs/dbraw/zinc/30/44/03/570304403.db2.gz GBOSLFQCULFTPD-LJQANCHMSA-N 0 0 399.499 3.360 40 5 GGBBRN CCOc1ccccc1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000022527289 570320508 /nfs/dbraw/zinc/32/05/08/570320508.db2.gz MZAOUNPZTCQEAE-UHFFFAOYSA-N 0 0 378.450 3.046 40 5 GGBBRN CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220506523 570321674 /nfs/dbraw/zinc/32/16/74/570321674.db2.gz KKQDQCMVANQJSH-QGZVFWFLSA-N 0 0 391.449 3.087 40 5 GGBBRN O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1 ZINC000001565780 570322380 /nfs/dbraw/zinc/32/23/80/570322380.db2.gz WVFSXESWPMNHNI-UHFFFAOYSA-N 0 0 383.385 3.075 40 5 GGBBRN CCOC(=O)c1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1 ZINC000022607795 570322903 /nfs/dbraw/zinc/32/29/03/570322903.db2.gz IFMVULLKPYLVCN-UHFFFAOYSA-N 0 0 384.395 3.363 40 5 GGBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccccc1C(C)C ZINC000223776967 570325991 /nfs/dbraw/zinc/32/59/91/570325991.db2.gz KLPVTGNTJOBMER-UHFFFAOYSA-N 0 0 378.450 3.384 40 5 GGBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NC(C)=O ZINC000223788245 570326426 /nfs/dbraw/zinc/32/64/26/570326426.db2.gz ZSUZURVMNMEWLL-UHFFFAOYSA-N 0 0 399.812 3.016 40 5 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ZINC000018202089 1399306426 /nfs/dbraw/zinc/30/64/26/1399306426.db2.gz GGIWULJAFFBJRS-UHFFFAOYSA-N 0 0 375.406 3.475 40 5 GGBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2cccc(C)c2)n1 ZINC000019927506 1399339676 /nfs/dbraw/zinc/33/96/76/1399339676.db2.gz WZOZBGYVFAPGTE-UHFFFAOYSA-N 0 0 399.432 3.428 40 5 GGBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)CC1 ZINC000020238383 1399344256 /nfs/dbraw/zinc/34/42/56/1399344256.db2.gz ZAZXSVUEZOSYIS-UHFFFAOYSA-N 0 0 385.489 3.172 40 5 GGBBRN CCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000020410786 1399346597 /nfs/dbraw/zinc/34/65/97/1399346597.db2.gz HPHIXTYIHWJELC-UHFFFAOYSA-N 0 0 385.420 3.473 40 5 GGBBRN COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000020529029 1399347952 /nfs/dbraw/zinc/34/79/52/1399347952.db2.gz NYPFJCLFOJRGRK-UHFFFAOYSA-N 0 0 375.337 3.146 40 5 GGBBRN CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611740 1399350032 /nfs/dbraw/zinc/35/00/32/1399350032.db2.gz 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YFWCKVOOMYSOKQ-UHFFFAOYSA-N 0 0 392.433 3.087 40 5 GGBBRN COC(=O)c1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000225089654 1433366893 /nfs/dbraw/zinc/36/68/93/1433366893.db2.gz XKGDIVJWQKXJCG-UHFFFAOYSA-N 0 0 398.824 3.168 40 5 GGBBRN CCn1c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2sc1=O ZINC000225092051 1433366950 /nfs/dbraw/zinc/36/69/50/1433366950.db2.gz MNGNAJAWONHVFS-UHFFFAOYSA-N 0 0 393.446 3.100 40 5 GGBBRN NC(=O)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 ZINC000225536587 1433367165 /nfs/dbraw/zinc/36/71/65/1433367165.db2.gz TYONBRXUOBDKRC-UHFFFAOYSA-N 0 0 397.431 3.300 40 5 GGBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225455016 1433367183 /nfs/dbraw/zinc/36/71/83/1433367183.db2.gz FPQXOYISXZTDJW-MRXNPFEDSA-N 0 0 383.448 3.079 40 5 GGBBRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225683169 1433367786 /nfs/dbraw/zinc/36/77/86/1433367786.db2.gz CAXHOWOHUXGOGZ-QGZVFWFLSA-N 0 0 397.475 3.122 40 5 GGBBRN CCCn1c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2sc1=O ZINC000225725032 1433367986 /nfs/dbraw/zinc/36/79/86/1433367986.db2.gz PUQDQOUWNRGPCL-UHFFFAOYSA-N 0 0 393.446 3.182 40 5 GGBBRN Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn21 ZINC000227142956 1433369248 /nfs/dbraw/zinc/36/92/48/1433369248.db2.gz XQCUVXZQPGNCEZ-UHFFFAOYSA-N 0 0 377.389 3.384 40 5 GGBBRN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000245224652 1433455497 /nfs/dbraw/zinc/45/54/97/1433455497.db2.gz AMVSXUNJUVIMKS-LVCYWYKZSA-N 0 0 392.459 3.147 40 5 GGBBRN