smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C(C)(C)C)c1 ZINC001354539865 1069316317 /nfs/dbraw/zinc/31/63/17/1069316317.db2.gz WVAHJJREPZUGII-UHFFFAOYSA-N 0 0 454.571 4.312 20 5 JIBDRN C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])Oc1ccccc1F ZINC001472707097 1069330969 /nfs/dbraw/zinc/33/09/69/1069330969.db2.gz SDHNDLRSQQQIEQ-INIZCTEOSA-N 0 0 451.520 4.178 20 5 JIBDRN CN(CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F)C(=O)OC(C)(C)C ZINC001354578632 1069350286 /nfs/dbraw/zinc/35/02/86/1069350286.db2.gz YLRKSFMFJRDDGR-UHFFFAOYSA-N 0 0 451.426 4.371 20 5 JIBDRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCC([C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC001472760494 1069407818 /nfs/dbraw/zinc/40/78/18/1069407818.db2.gz ZYLVFOSSYKAYDT-QHCPKHFHSA-N 0 0 459.568 4.408 20 5 JIBDRN CC(=O)NC1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(C)C)CC2)CC1 ZINC001359411479 1069526960 /nfs/dbraw/zinc/52/69/60/1069526960.db2.gz MUASQJQDPMYDHA-UHFFFAOYSA-N 0 0 454.575 4.173 20 5 JIBDRN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCC2(F)F)C1 ZINC001359432578 1069558485 /nfs/dbraw/zinc/55/84/85/1069558485.db2.gz RSPZAPUHLCFFGM-HKUYNNGSSA-N 0 0 476.528 4.031 20 5 JIBDRN CC(C)(C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001359550374 1069858932 /nfs/dbraw/zinc/85/89/32/1069858932.db2.gz AEODLWPYWKPPCH-HRAATJIYSA-N 0 0 495.411 4.178 20 5 JIBDRN CC(C)(C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCSC2(CCCCC2)C1 ZINC001359551016 1069860282 /nfs/dbraw/zinc/86/02/82/1069860282.db2.gz XUSVJCMYRGGJGA-UHFFFAOYSA-N 0 0 486.642 4.414 20 5 JIBDRN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCO[C@@H]2CCCC[C@H]2C)C1 ZINC001359620275 1070092597 /nfs/dbraw/zinc/09/25/97/1070092597.db2.gz OCKINMNNQIMDCN-KJXAQDMKSA-N 0 0 498.628 4.190 20 5 JIBDRN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC(F)(F)C2)C1 ZINC001359626145 1070117937 /nfs/dbraw/zinc/11/79/37/1070117937.db2.gz DVSSBJJTUGTQTD-MSOLQXFVSA-N 0 0 490.555 4.277 20 5 JIBDRN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(C)C)CC2)C1 ZINC001359626875 1070123648 /nfs/dbraw/zinc/12/36/48/1070123648.db2.gz XMQGLRDBCHERNQ-LJQANCHMSA-N 0 0 468.602 4.278 20 5 JIBDRN CC(C)[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(c2nccs2)CC1 ZINC001359648422 1070206442 /nfs/dbraw/zinc/20/64/42/1070206442.db2.gz UGXCCMKQOKSRNV-JOCHJYFZSA-N 0 0 456.572 4.101 20 5 JIBDRN CC(C)[C@H](Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N1CCOCC1 ZINC001359662285 1070282493 /nfs/dbraw/zinc/28/24/93/1070282493.db2.gz WRPBRWMQYWKKLR-QHCPKHFHSA-N 0 0 470.618 4.226 20 5 JIBDRN CC(C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359698621 1070359575 /nfs/dbraw/zinc/35/95/75/1070359575.db2.gz FTXYAISUWINQTA-XLIONFOSSA-N 0 0 459.595 4.189 20 5 JIBDRN COc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CC(C)C)C(C)C)c(OC)n1 ZINC001315487066 1064360614 /nfs/dbraw/zinc/36/06/14/1064360614.db2.gz NVGAOSJJZWBRHR-UHFFFAOYSA-N 0 0 454.531 4.185 20 5 JIBDRN COc1ccc(Cn2c(-c3cccn3C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC001315488610 1064365599 /nfs/dbraw/zinc/36/55/99/1064365599.db2.gz WQZHYWSXBRVENJ-UHFFFAOYSA-N 0 0 461.526 4.059 20 5 JIBDRN CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001315741462 1065050144 /nfs/dbraw/zinc/05/01/44/1065050144.db2.gz ZOGJMCPSSHGUPD-SIKLNZKXSA-N 0 0 469.542 4.221 20 5 JIBDRN COCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CCOCC1 ZINC001315844971 1065233860 /nfs/dbraw/zinc/23/38/60/1065233860.db2.gz SKZZIMWBLGSQGV-ICSRJNTNSA-N 0 0 457.575 4.311 20 5 JIBDRN COCC1(Cn2c(C3CCC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCOCC1 ZINC001315846490 1065238201 /nfs/dbraw/zinc/23/82/01/1065238201.db2.gz GPPWGJNFCDQKPS-UHFFFAOYSA-N 0 0 457.575 4.312 20 5 JIBDRN COCC1(Cn2c(CC(C)C)nnc2N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001315848413 1065240476 /nfs/dbraw/zinc/24/04/76/1065240476.db2.gz CMTQLVTZRTZRNY-UHFFFAOYSA-N 0 0 457.575 4.249 20 5 JIBDRN COCCCCCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001316005456 1065592684 /nfs/dbraw/zinc/59/26/84/1065592684.db2.gz MXCCKBVLQWALJN-UHFFFAOYSA-N 0 0 485.976 4.045 20 5 JIBDRN COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ncccc1N(C)C)[C@@H]1CC[C@@H](C)C1 ZINC001316077289 1065719032 /nfs/dbraw/zinc/71/90/32/1065719032.db2.gz ICNVXPVTQMALJA-UYAOXDASSA-N 0 0 479.585 4.004 20 5 JIBDRN COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CC[C@@H](C)C1 ZINC001316078850 1065722522 /nfs/dbraw/zinc/72/25/22/1065722522.db2.gz KWPIVEJKFNLSOT-DENIHFKCSA-N 0 0 498.628 4.286 20 5 JIBDRN COCCO[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccc(Cl)s2)C1 ZINC001316232760 1065960983 /nfs/dbraw/zinc/96/09/83/1065960983.db2.gz FJYIHEWQUWUOGF-SFHVURJKSA-N 0 0 492.001 4.443 20 5 JIBDRN COCCOC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CCC(F)(F)CC2)C1 ZINC001316249654 1065991772 /nfs/dbraw/zinc/99/17/72/1065991772.db2.gz AGCYXOPNNUNIKY-GOSISDBHSA-N 0 0 479.528 4.168 20 5 JIBDRN CS[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001316400373 1066177839 /nfs/dbraw/zinc/17/78/39/1066177839.db2.gz VNNIJRTWFNATKB-NRFANRHFSA-N 0 0 481.626 4.353 20 5 JIBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001475216065 1066254146 /nfs/dbraw/zinc/25/41/46/1066254146.db2.gz GGZUPNNTFCJKRB-QGZVFWFLSA-N 0 0 457.321 4.457 20 5 JIBDRN Cc1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)ccc1N1CCCC1=O ZINC001325967895 1066276180 /nfs/dbraw/zinc/27/61/80/1066276180.db2.gz UUIXKUBJYHICMF-UHFFFAOYSA-N 0 0 491.470 4.403 20 5 JIBDRN CSCCCCn1c(CC2CCCC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001316463706 1066361953 /nfs/dbraw/zinc/36/19/53/1066361953.db2.gz VYUYYQSAIJRGMY-UHFFFAOYSA-N 0 0 458.632 4.389 20 5 JIBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CCCN(c3ccccc3F)CC2)c1=S ZINC001335331348 1066410197 /nfs/dbraw/zinc/41/01/97/1066410197.db2.gz NWVQBQUNQUGYIS-UHFFFAOYSA-N 0 0 456.547 4.318 20 5 JIBDRN C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C(F)(F)F ZINC001316487847 1066412898 /nfs/dbraw/zinc/41/28/98/1066412898.db2.gz DLZVPKWKKUZQLD-RHSMWYFYSA-N 0 0 498.506 4.403 20 5 JIBDRN COc1ccc(C(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c2ccc(OC)cc2)cc1 ZINC001337500754 1066487677 /nfs/dbraw/zinc/48/76/77/1066487677.db2.gz UPGDSLRETZRVJR-UHFFFAOYSA-N 0 0 476.533 4.233 20 5 JIBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCCN(C(=O)c4ccccc4)C3)cc2[N+](=O)[O-])C1 ZINC001338211135 1066538325 /nfs/dbraw/zinc/53/83/25/1066538325.db2.gz KKKPXOVJDBMAMC-KNKQGSTJSA-N 0 0 464.566 4.112 20 5 JIBDRN O=C1Nc2ccccc2[C@@H]1C1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 ZINC001338312392 1066546440 /nfs/dbraw/zinc/54/64/40/1066546440.db2.gz VVWNPSYXCAWYPW-DEOSSOPVSA-N 0 0 498.605 4.112 20 5 JIBDRN O=C1Nc2ccccc2[C@H]1C1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 ZINC001338312394 1066546594 /nfs/dbraw/zinc/54/65/94/1066546594.db2.gz VVWNPSYXCAWYPW-XMMPIXPASA-N 0 0 498.605 4.112 20 5 JIBDRN CC(C)(C)OC(=O)N[C@@H](c1noc(-c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1)c1ccccc1 ZINC001339292829 1066575663 /nfs/dbraw/zinc/57/56/63/1066575663.db2.gz DNHDVQMIBJTSMK-LJQANCHMSA-N 0 0 462.466 4.445 20 5 JIBDRN O=C(COc1ccc(Cl)cc1Br)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001342536708 1066597025 /nfs/dbraw/zinc/59/70/25/1066597025.db2.gz FFFZJPVHZXJAHR-UHFFFAOYSA-N 0 0 484.734 4.244 20 5 JIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCCCCCC3)n2CCCOCC2CCOCC2)c1 ZINC001316582054 1066597317 /nfs/dbraw/zinc/59/73/17/1066597317.db2.gz HUNSGYBPFBOMNI-UHFFFAOYSA-N 0 0 457.575 4.457 20 5 JIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC2=CCCCC2)c1 ZINC001316582110 1066597510 /nfs/dbraw/zinc/59/75/10/1066597510.db2.gz JBWDALXOBGCZSG-UHFFFAOYSA-N 0 0 464.492 4.428 20 5 JIBDRN COc1cccc(-c2nn(Cc3ccccc3)cc2COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC001347091713 1066675503 /nfs/dbraw/zinc/67/55/03/1066675503.db2.gz JIPUXOPOYYYMQV-UHFFFAOYSA-N 0 0 475.505 4.190 20 5 JIBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1C ZINC001347777087 1066697385 /nfs/dbraw/zinc/69/73/85/1066697385.db2.gz RDMLGDLBSMVWIO-UHFFFAOYSA-N 0 0 452.389 4.101 20 5 JIBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC001348059540 1066718035 /nfs/dbraw/zinc/71/80/35/1066718035.db2.gz WAWUSYPFBBVUGG-LJQANCHMSA-N 0 0 459.568 4.367 20 5 JIBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCCc3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])C1 ZINC001348064569 1066718543 /nfs/dbraw/zinc/71/85/43/1066718543.db2.gz QLNQFRHLYCFQSL-GJZGRUSLSA-N 0 0 450.461 4.463 20 5 JIBDRN Cc1cocc1C(=O)O[C@@H](c1ccccc1)[C@H](C)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001348078677 1066720128 /nfs/dbraw/zinc/72/01/28/1066720128.db2.gz NHCFSQYKACYADI-HRAATJIYSA-N 0 0 458.492 4.104 20 5 JIBDRN Cc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)cc1C ZINC001348090913 1066720556 /nfs/dbraw/zinc/72/05/56/1066720556.db2.gz AGPBPCRHCHILJX-UHFFFAOYSA-N 0 0 450.476 4.241 20 5 JIBDRN C/C(=C/C(C)(C)C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC001348496841 1066750697 /nfs/dbraw/zinc/75/06/97/1066750697.db2.gz JHTDFOKMGHKPHA-GZQRZBQGSA-N 0 0 451.932 4.393 20 5 JIBDRN Cc1ccc(OCCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C ZINC001348544424 1066754611 /nfs/dbraw/zinc/75/46/11/1066754611.db2.gz IDUFALWIBXZJHF-UHFFFAOYSA-N 0 0 451.445 4.348 20 5 JIBDRN Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nn1[C@H](C)C1CC1 ZINC001348544968 1066755199 /nfs/dbraw/zinc/75/51/99/1066755199.db2.gz MZRZJPMRQUVQGY-CQSZACIVSA-N 0 0 451.449 4.052 20 5 JIBDRN COc1ccc(C(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c2ccc(OC)cc2)cc1 ZINC001317898576 1066768729 /nfs/dbraw/zinc/76/87/29/1066768729.db2.gz KAVAYIABBBHXLS-UHFFFAOYSA-N 0 0 458.474 4.317 20 5 JIBDRN COCCN(C(=O)c1cc(C(F)(F)F)ccn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001348671843 1066769215 /nfs/dbraw/zinc/76/92/15/1066769215.db2.gz HKFBEMULVKSSRL-UHFFFAOYSA-N 0 0 452.414 4.425 20 5 JIBDRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC001348741637 1066773895 /nfs/dbraw/zinc/77/38/95/1066773895.db2.gz UDHBNHNMCYRSOZ-IRXDYDNUSA-N 0 0 451.932 4.021 20 5 JIBDRN C[C@H](C(=O)Nc1cc(Br)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC001348834958 1066782558 /nfs/dbraw/zinc/78/25/58/1066782558.db2.gz RNXVSJWHJAEYTK-LBPRGKRZSA-N 0 0 452.280 4.075 20 5 JIBDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001348887914 1066786167 /nfs/dbraw/zinc/78/61/67/1066786167.db2.gz FZLDUEPUPIPMEW-UHFFFAOYSA-N 0 0 457.836 4.475 20 5 JIBDRN CCCOc1cc(NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)c([N+](=O)[O-])cc1OCCC ZINC001349084453 1066805907 /nfs/dbraw/zinc/80/59/07/1066805907.db2.gz FCJVMWJVSFIWQK-KRWDZBQOSA-N 0 0 450.532 4.477 20 5 JIBDRN 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CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001357423033 1067847922 /nfs/dbraw/zinc/84/79/22/1067847922.db2.gz IXGDTTIOOLKSBM-UHOFOFEASA-N 0 0 457.449 4.379 20 5 JIBDRN O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC2(CCC2)c2c1cccc2F ZINC001357447804 1067851147 /nfs/dbraw/zinc/85/11/47/1067851147.db2.gz KMDCSNNFINAHPY-UHFFFAOYSA-N 0 0 452.223 4.421 20 5 JIBDRN CCCNC(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC001357570806 1067871973 /nfs/dbraw/zinc/87/19/73/1067871973.db2.gz CMFVKVLGXSTROR-UHFFFAOYSA-N 0 0 454.708 4.332 20 5 JIBDRN O=C(NC1(c2ccc(Cl)cc2)CCCCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001357634374 1067880064 /nfs/dbraw/zinc/88/00/64/1067880064.db2.gz SYDCWKXVCYJCPQ-UHFFFAOYSA-N 0 0 455.898 4.491 20 5 JIBDRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001357665803 1067883904 /nfs/dbraw/zinc/88/39/04/1067883904.db2.gz LCWZXBKIULAIIN-QGZVFWFLSA-N 0 0 451.401 4.256 20 5 JIBDRN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2Cl)n1 ZINC001357734220 1067892350 /nfs/dbraw/zinc/89/23/50/1067892350.db2.gz PXIAHPSTSUXCIM-OAHLLOKOSA-N 0 0 455.902 4.442 20 5 JIBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCc2cc(Br)cc(F)c21 ZINC001357748760 1067894312 /nfs/dbraw/zinc/89/43/12/1067894312.db2.gz LVFKWZZDYUKLSU-UHFFFAOYSA-N 0 0 452.236 4.317 20 5 JIBDRN CC(C)OC(=O)C[C@H](NC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1ccccc1[N+](=O)[O-] ZINC001353223642 1067923506 /nfs/dbraw/zinc/92/35/06/1067923506.db2.gz ZLGAODVCVNCEMK-IBGZPJMESA-N 0 0 456.886 4.247 20 5 JIBDRN COc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1C ZINC001353230531 1067930156 /nfs/dbraw/zinc/93/01/56/1067930156.db2.gz JWQIAZJZFICINR-INIZCTEOSA-N 0 0 452.294 4.462 20 5 JIBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001357931941 1067947758 /nfs/dbraw/zinc/94/77/58/1067947758.db2.gz UBDZVAPXYSDEJT-QWHCGFSZSA-N 0 0 456.337 4.123 20 5 JIBDRN COc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001357959332 1067959663 /nfs/dbraw/zinc/95/96/63/1067959663.db2.gz ZGUBGTNCDSSJNR-UHFFFAOYSA-N 0 0 455.492 4.212 20 5 JIBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1NC(=O)OC(C)(C)C ZINC001353275492 1067976922 /nfs/dbraw/zinc/97/69/22/1067976922.db2.gz CPGDSORVMLHQAG-UHFFFAOYSA-N 0 0 453.455 4.388 20 5 JIBDRN CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001357998914 1067978822 /nfs/dbraw/zinc/97/88/22/1067978822.db2.gz BPFBMNAOJNYOCV-YVHKJVDXSA-N 0 0 459.568 4.143 20 5 JIBDRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC001358132768 1068027155 /nfs/dbraw/zinc/02/71/55/1068027155.db2.gz CVGBWGNMDIOBTF-QGZVFWFLSA-N 0 0 453.417 4.496 20 5 JIBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC001358216402 1068045398 /nfs/dbraw/zinc/04/53/98/1068045398.db2.gz MNHFWBRYVJDWCS-LJQANCHMSA-N 0 0 451.445 4.034 20 5 JIBDRN CSc1cccc(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)c1[N+](=O)[O-] ZINC001358280033 1068057954 /nfs/dbraw/zinc/05/79/54/1068057954.db2.gz GUJVYOOLNSZUDF-UHFFFAOYSA-N 0 0 452.330 4.146 20 5 JIBDRN COC(=O)[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)CCSC1 ZINC001358376438 1068077200 /nfs/dbraw/zinc/07/72/00/1068077200.db2.gz HOEXUIZGYXOFOB-LJQANCHMSA-N 0 0 452.941 4.178 20 5 JIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001358423087 1068088188 /nfs/dbraw/zinc/08/81/88/1068088188.db2.gz RCLKDXUJTJDINI-INIZCTEOSA-N 0 0 456.568 4.454 20 5 JIBDRN COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001358434506 1068090266 /nfs/dbraw/zinc/09/02/66/1068090266.db2.gz WASVWUOVQOQRTH-QFIPXVFZSA-N 0 0 455.511 4.202 20 5 JIBDRN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001358479281 1068103539 /nfs/dbraw/zinc/10/35/39/1068103539.db2.gz QSBCXARJXHPZBL-QFIPXVFZSA-N 0 0 453.930 4.218 20 5 JIBDRN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCNc1cnccn1 ZINC000510807730 1068176352 /nfs/dbraw/zinc/17/63/52/1068176352.db2.gz BVODYVYMWISVPJ-GHRIWEEISA-N 0 0 460.519 4.154 20 5 JIBDRN CC(=O)Nc1cccc(Nc2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])s2)c1 ZINC000497322073 1068178129 /nfs/dbraw/zinc/17/81/29/1068178129.db2.gz IFILOJNDIPPYPR-UHFFFAOYSA-N 0 0 458.525 4.188 20 5 JIBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(Nc2cccc(NC(C)=O)c2)s1 ZINC000497323837 1068180339 /nfs/dbraw/zinc/18/03/39/1068180339.db2.gz XUQXPUSVGZUCRP-NSHDSACASA-N 0 0 488.551 4.276 20 5 JIBDRN CC(=O)Nc1cccc(Nc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)s2)c1 ZINC000497326083 1068181636 /nfs/dbraw/zinc/18/16/36/1068181636.db2.gz OEFZDWJIXLEBEK-UHFFFAOYSA-N 0 0 459.509 4.307 20 5 JIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000497894003 1068193251 /nfs/dbraw/zinc/19/32/51/1068193251.db2.gz YBIMQXZTKNTTDW-UHFFFAOYSA-N 0 0 467.441 4.033 20 5 JIBDRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000609202252 1068213172 /nfs/dbraw/zinc/21/31/72/1068213172.db2.gz NADXMNRKPJBJGU-INIZCTEOSA-N 0 0 483.550 4.109 20 5 JIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000499018342 1068214903 /nfs/dbraw/zinc/21/49/03/1068214903.db2.gz CHZJNRXAINHHLN-UHFFFAOYSA-N 0 0 450.405 4.190 20 5 JIBDRN O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000512324719 1068222113 /nfs/dbraw/zinc/22/21/13/1068222113.db2.gz HXMCAAHWRWRIHE-UHFFFAOYSA-N 0 0 471.246 4.325 20 5 JIBDRN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)c(C)s2)no1 ZINC000515624501 1068267508 /nfs/dbraw/zinc/26/75/08/1068267508.db2.gz FSNGXYCFNUTURS-LBPRGKRZSA-N 0 0 461.525 4.022 20 5 JIBDRN CC(C)OC(=O)C[C@H](NC(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccccc1[N+](=O)[O-] ZINC000518164867 1068303017 /nfs/dbraw/zinc/30/30/17/1068303017.db2.gz GXVJHSSGHMKDAJ-KRWDZBQOSA-N 0 0 487.513 4.381 20 5 JIBDRN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000520569541 1068325398 /nfs/dbraw/zinc/32/53/98/1068325398.db2.gz QCXPFHOBZQCZDB-KRWDZBQOSA-N 0 0 473.942 4.129 20 5 JIBDRN O=C(Nc1ccn(Cc2ccccc2)n1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000520807169 1068327733 /nfs/dbraw/zinc/32/77/33/1068327733.db2.gz PQPSMKXSLLDULA-UHFFFAOYSA-N 0 0 474.443 4.213 20 5 JIBDRN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC001200384146 1068341039 /nfs/dbraw/zinc/34/10/39/1068341039.db2.gz PKMUSQAOKUKNMN-KRWDZBQOSA-N 0 0 452.389 4.062 20 5 JIBDRN Nc1nc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)ncc1[N+](=O)[O-] ZINC000524411102 1068351940 /nfs/dbraw/zinc/35/19/40/1068351940.db2.gz LAHUIRZHILIAAL-UHFFFAOYSA-N 0 0 461.294 4.068 20 5 JIBDRN O=C(c1ccc([N+](=O)[O-])cc1I)N1CCSC[C@@H]1c1ccccc1 ZINC001353625417 1068379627 /nfs/dbraw/zinc/37/96/27/1068379627.db2.gz UYUFQJIMQOFXPR-MRXNPFEDSA-N 0 0 454.289 4.130 20 5 JIBDRN Cc1c(Br)cc(C(=O)NCc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-] ZINC001353671053 1068423461 /nfs/dbraw/zinc/42/34/61/1068423461.db2.gz RRXHPTDJCSDCRK-UHFFFAOYSA-N 0 0 458.268 4.441 20 5 JIBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccn(CCc2ccncc2)n1 ZINC000503354502 1068560046 /nfs/dbraw/zinc/56/00/46/1068560046.db2.gz DYLFUXSQAFUHJC-UHFFFAOYSA-N 0 0 493.527 4.463 20 5 JIBDRN Cc1c(Br)cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC001353777227 1068575539 /nfs/dbraw/zinc/57/55/39/1068575539.db2.gz SMBSMDFXDKMTBH-UHFFFAOYSA-N 0 0 451.664 4.299 20 5 JIBDRN COCCN(C(=O)[C@H](C)OCc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001353857412 1068674631 /nfs/dbraw/zinc/67/46/31/1068674631.db2.gz HGDNOJXJLYOTSK-HNNXBMFYSA-N 0 0 459.499 4.442 20 5 JIBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1 ZINC001353932496 1068766058 /nfs/dbraw/zinc/76/60/58/1068766058.db2.gz QAAYLPHFMFQAFL-NSHDSACASA-N 0 0 452.294 4.447 20 5 JIBDRN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001300507656 1068881973 /nfs/dbraw/zinc/88/19/73/1068881973.db2.gz JUFBXQBUSQCZIT-LHSJRXKWSA-N 0 0 461.312 4.309 20 5 JIBDRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001354077087 1068883299 /nfs/dbraw/zinc/88/32/99/1068883299.db2.gz YINDZRZCUORTPZ-CQSZACIVSA-N 0 0 450.322 4.065 20 5 JIBDRN C[C@H](OC(=O)c1ccccc1C(=O)N(C)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000849119519 1068893579 /nfs/dbraw/zinc/89/35/79/1068893579.db2.gz VGADPSSYPKKENL-INIZCTEOSA-N 0 0 453.495 4.184 20 5 JIBDRN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC000849120080 1068894379 /nfs/dbraw/zinc/89/43/79/1068894379.db2.gz PYCMRDXTYXSVAE-UHFFFAOYSA-N 0 0 489.531 4.324 20 5 JIBDRN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)n1 ZINC000849132661 1068899789 /nfs/dbraw/zinc/89/97/89/1068899789.db2.gz MCORGLDXOUBBLY-ZDUSSCGKSA-N 0 0 475.552 4.472 20 5 JIBDRN 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CSc1cccc(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC001353136139 1067877184 /nfs/dbraw/zinc/87/71/84/1067877184.db2.gz CXCMFLYEWDQXBS-UHFFFAOYSA-N 0 0 455.458 4.173 20 5 JIBDRN COC(=O)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC001353159137 1067884577 /nfs/dbraw/zinc/88/45/77/1067884577.db2.gz YKEITGKWYWDDSX-UHFFFAOYSA-N 0 0 455.511 4.415 20 5 JIBDRN CCOc1cc(N2CCN(C(=O)Nc3cc(OC)ccc3OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001200244470 1067885165 /nfs/dbraw/zinc/88/51/65/1067885165.db2.gz UOTVWVZEIUDQPC-UHFFFAOYSA-N 0 0 458.515 4.143 20 5 JIBDRN O=C(O[C@@H](c1cccnc1)c1ccccc1[N+](=O)[O-])c1cn(-c2cccc(Cl)c2F)nn1 ZINC001357708152 1067889686 /nfs/dbraw/zinc/88/96/86/1067889686.db2.gz VAEHQGSJFISBPY-FQEVSTJZSA-N 0 0 453.817 4.309 20 5 JIBDRN CCOCc1ccccc1CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001353212096 1067908637 /nfs/dbraw/zinc/90/86/37/1067908637.db2.gz ZLMZFNCEXQCKHS-DEOSSOPVSA-N 0 0 457.527 4.188 20 5 JIBDRN CC(C)(CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001357889840 1067931429 /nfs/dbraw/zinc/93/14/29/1067931429.db2.gz NOUMFKJZMXRADY-UHFFFAOYSA-N 0 0 453.417 4.238 20 5 JIBDRN Cc1cc(OCC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC001353233865 1067936890 /nfs/dbraw/zinc/93/68/90/1067936890.db2.gz UKXYJMSSRRHHMQ-UHFFFAOYSA-N 0 0 453.417 4.177 20 5 JIBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC001357912390 1067940297 /nfs/dbraw/zinc/94/02/97/1067940297.db2.gz FSEKMNLLXOBAEL-UHFFFAOYSA-N 0 0 450.904 4.281 20 5 JIBDRN C[C@H]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c2cc(Cl)ccc2S1 ZINC001357975614 1067965175 /nfs/dbraw/zinc/96/51/75/1067965175.db2.gz DYNQFGALYCXAHR-LBPRGKRZSA-N 0 0 459.911 4.433 20 5 JIBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001358057181 1068004854 /nfs/dbraw/zinc/00/48/54/1068004854.db2.gz FKNAYOBUXHQKCC-JTQLQIEISA-N 0 0 458.248 4.087 20 5 JIBDRN Cc1ccccc1OCCCN(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001358054963 1068005028 /nfs/dbraw/zinc/00/50/28/1068005028.db2.gz UOFJAOFHOTWROK-UHFFFAOYSA-N 0 0 454.264 4.049 20 5 JIBDRN O=C(NCc1c(Cl)cccc1Cl)c1ccc(I)c([N+](=O)[O-])c1 ZINC001353318353 1068023484 /nfs/dbraw/zinc/02/34/84/1068023484.db2.gz XQCRPEXFUJEARP-UHFFFAOYSA-N 0 0 451.047 4.436 20 5 JIBDRN O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001353318886 1068024091 /nfs/dbraw/zinc/02/40/91/1068024091.db2.gz DAZPVPXHURLAEZ-UHFFFAOYSA-N 0 0 451.439 4.486 20 5 JIBDRN CCC[C@H]1CCc2nc(NC(=O)CN3c4ccc([N+](=O)[O-])cc4C(F)(F)C3=O)sc2C1 ZINC001358298830 1068063149 /nfs/dbraw/zinc/06/31/49/1068063149.db2.gz BOCWDUPDVWMNDR-NSHDSACASA-N 0 0 450.467 4.033 20 5 JIBDRN Cc1ccc(-n2ncc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2C2CC2)cc1Cl ZINC001358330222 1068067579 /nfs/dbraw/zinc/06/75/79/1068067579.db2.gz WRSBIBQDUMJPJQ-UHFFFAOYSA-N 0 0 454.870 4.415 20 5 JIBDRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001358328965 1068067719 /nfs/dbraw/zinc/06/77/19/1068067719.db2.gz AJFRHIXPNJIHHS-UHFFFAOYSA-N 0 0 455.902 4.349 20 5 JIBDRN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)ccc21 ZINC001358372324 1068076941 /nfs/dbraw/zinc/07/69/41/1068076941.db2.gz YIVJWKYRTLUWIU-UHFFFAOYSA-N 0 0 455.467 4.306 20 5 JIBDRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001358412942 1068085270 /nfs/dbraw/zinc/08/52/70/1068085270.db2.gz PQGZVOIKHOLSBW-UHFFFAOYSA-N 0 0 452.794 4.111 20 5 JIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000609202177 1068212900 /nfs/dbraw/zinc/21/29/00/1068212900.db2.gz JIUUAICLQCRCEF-UHFFFAOYSA-N 0 0 494.309 4.458 20 5 JIBDRN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000499063297 1068215378 /nfs/dbraw/zinc/21/53/78/1068215378.db2.gz KDWIIUUOHOEGCY-UHFFFAOYSA-N 0 0 455.478 4.369 20 5 JIBDRN O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000512332178 1068222997 /nfs/dbraw/zinc/22/29/97/1068222997.db2.gz TTZNLVIPQFDZQW-UHFFFAOYSA-N 0 0 471.246 4.325 20 5 JIBDRN COC(=O)/C=C/c1ccc(OC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(OC)c1 ZINC001353553066 1068316671 /nfs/dbraw/zinc/31/66/71/1068316671.db2.gz SXRHNYGEFRZQBN-WEVVVXLNSA-N 0 0 454.479 4.245 20 5 JIBDRN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000520569545 1068325445 /nfs/dbraw/zinc/32/54/45/1068325445.db2.gz QCXPFHOBZQCZDB-QGZVFWFLSA-N 0 0 473.942 4.129 20 5 JIBDRN O=C(NCCCNC(=O)c1ccc(F)cc1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001200383263 1068337223 /nfs/dbraw/zinc/33/72/23/1068337223.db2.gz BCTOSRFPBHJQOA-UHFFFAOYSA-N 0 0 452.442 4.468 20 5 JIBDRN CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(-c5cccc([N+](=O)[O-])c5)[nH]n4)cc3C2=O)cc1 ZINC000522358923 1068339542 /nfs/dbraw/zinc/33/95/42/1068339542.db2.gz JXEOJFQIRIGRSZ-UHFFFAOYSA-N 0 0 497.467 4.437 20 5 JIBDRN COc1ccc(Br)cc1C(=O)CCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000523162724 1068343320 /nfs/dbraw/zinc/34/33/20/1068343320.db2.gz QMSUMNLXSOYEMR-UHFFFAOYSA-N 0 0 473.283 4.358 20 5 JIBDRN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000523829191 1068347625 /nfs/dbraw/zinc/34/76/25/1068347625.db2.gz UIVQOEVKBXQRML-UHFFFAOYSA-N 0 0 453.256 4.185 20 5 JIBDRN CCNc1nnc(Sc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])s1 ZINC000619715800 1068350879 /nfs/dbraw/zinc/35/08/79/1068350879.db2.gz QWWVYLDLQVJNAN-UHFFFAOYSA-N 0 0 465.582 4.245 20 5 JIBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC001353599947 1068363338 /nfs/dbraw/zinc/36/33/38/1068363338.db2.gz GTJCCHGXTIJADE-UHFFFAOYSA-N 0 0 453.445 4.414 20 5 JIBDRN O=C(C[C@H]1C(=O)Nc2ccc(Br)cc21)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001353709904 1068497730 /nfs/dbraw/zinc/49/77/30/1068497730.db2.gz NUBHWASWTCXWPT-LLVKDONJSA-N 0 0 456.199 4.023 20 5 JIBDRN CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001353719897 1068508816 /nfs/dbraw/zinc/50/88/16/1068508816.db2.gz KXYLJLAHIVOOEY-UHFFFAOYSA-N 0 0 458.106 4.271 20 5 JIBDRN COc1cccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1[N+](=O)[O-] ZINC001353785723 1068585673 /nfs/dbraw/zinc/58/56/73/1068585673.db2.gz ICEHEZHXBFDXNF-UHFFFAOYSA-N 0 0 455.511 4.429 20 5 JIBDRN COCCN(C(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001353857621 1068674930 /nfs/dbraw/zinc/67/49/30/1068674930.db2.gz IZCZWGGTLRGFPA-DLBZAZTESA-N 0 0 475.567 4.456 20 5 JIBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC001353862977 1068682208 /nfs/dbraw/zinc/68/22/08/1068682208.db2.gz ZJSHQGGIOHYIMX-UHFFFAOYSA-N 0 0 451.932 4.292 20 5 JIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC001353896516 1068730911 /nfs/dbraw/zinc/73/09/11/1068730911.db2.gz AGZBEKVBGNDHSV-ZDUSSCGKSA-N 0 0 453.358 4.457 20 5 JIBDRN CC(=O)N[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC001353925786 1068758750 /nfs/dbraw/zinc/75/87/50/1068758750.db2.gz FNGFPFKUZRHBBQ-QGZVFWFLSA-N 0 0 455.692 4.321 20 5 JIBDRN Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)nnn1-c1cccc(Cl)c1 ZINC001353927349 1068760722 /nfs/dbraw/zinc/76/07/22/1068760722.db2.gz QLELWWXDTFLSJG-UHFFFAOYSA-N 0 0 451.664 4.257 20 5 JIBDRN COc1cccc(CNC(=S)NCCCNC(=O)c2c3ccccc3nc3ccccc32)c1OC ZINC001200532187 1068837223 /nfs/dbraw/zinc/83/72/23/1068837223.db2.gz YWUINVVBAPAYFB-UHFFFAOYSA-N 0 0 488.613 4.189 20 5 JIBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1F ZINC001354069374 1068877602 /nfs/dbraw/zinc/87/76/02/1068877602.db2.gz PMFJYWHECATKAL-UHFFFAOYSA-N 0 0 450.469 4.148 20 5 JIBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001354077086 1068883253 /nfs/dbraw/zinc/88/32/53/1068883253.db2.gz YINDZRZCUORTPZ-AWEZNQCLSA-N 0 0 450.322 4.065 20 5 JIBDRN C[C@@H](OC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000849187615 1068931548 /nfs/dbraw/zinc/93/15/48/1068931548.db2.gz BSZPRZGJUJJKPT-NHRMXYMRSA-N 0 0 495.513 4.191 20 5 JIBDRN O=C(OCc1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001354175933 1068951486 /nfs/dbraw/zinc/95/14/86/1068951486.db2.gz BNFMEGDRBPBKQE-UHFFFAOYSA-N 0 0 455.692 4.204 20 5 JIBDRN CC(C)Cn1cc([C@@H]2N(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC23CCOCC3)cn1 ZINC000849536125 1069152981 /nfs/dbraw/zinc/15/29/81/1069152981.db2.gz JOYKTDKELZPUCZ-IBGZPJMESA-N 0 0 466.460 4.460 20 5 JIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](OC)c1ccc(Cl)cc1 ZINC001354414765 1069200274 /nfs/dbraw/zinc/20/02/74/1069200274.db2.gz GXFASUYFYYIFKX-QGZVFWFLSA-N 0 0 452.916 4.021 20 5 JIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCc1ccc(C(F)(F)F)cn1 ZINC001354421786 1069208844 /nfs/dbraw/zinc/20/88/44/1069208844.db2.gz HZAQLJNMQAYVBD-UHFFFAOYSA-N 0 0 472.489 4.228 20 5 JIBDRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@@H]12 ZINC001164407239 718859430 /nfs/dbraw/zinc/85/94/30/718859430.db2.gz YMESSJKHKOJRJN-HZPDHXFCSA-N 0 0 471.851 4.422 20 5 JIBDRN 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O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)cnc1Cl ZINC001164734078 720536862 /nfs/dbraw/zinc/53/68/62/720536862.db2.gz HKIUIJNDWOMJTR-LIRRHRJNSA-N 0 0 454.861 4.038 20 5 JIBDRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)C2=O)c1 ZINC001164852476 720806344 /nfs/dbraw/zinc/80/63/44/720806344.db2.gz NWYGINPUHCCVCZ-HXUWFJFHSA-N 0 0 450.873 4.126 20 5 JIBDRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)C2=O)c1 ZINC001164849229 720807048 /nfs/dbraw/zinc/80/70/48/720807048.db2.gz FIQIUOWTIQEJBA-FQEVSTJZSA-N 0 0 450.873 4.126 20 5 JIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)c(Cl)nn2)cc1 ZINC001164799699 721600319 /nfs/dbraw/zinc/60/03/19/721600319.db2.gz JSAVZFBKVLZHGH-UHFFFAOYSA-N 0 0 490.898 4.393 20 5 JIBDRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)C[C@H]2CN1c1cccnc1 ZINC001165015721 721793916 /nfs/dbraw/zinc/79/39/16/721793916.db2.gz BIQASVIINOCTND-MGPUTAFESA-N 0 0 485.878 4.349 20 5 JIBDRN 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JIBDRN O=C(c1ccccc1OC(F)F)N1CCC[C@@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001352809508 1067736291 /nfs/dbraw/zinc/73/62/91/1067736291.db2.gz CPZHFQNKUHVFIQ-MRXNPFEDSA-N 0 0 459.449 4.028 20 5 JIBDRN O=C(c1ccccc1OC(F)F)N1CCC[C@H](C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001352809503 1067736582 /nfs/dbraw/zinc/73/65/82/1067736582.db2.gz CPZHFQNKUHVFIQ-INIZCTEOSA-N 0 0 459.449 4.028 20 5 JIBDRN CCCOc1ncccc1CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC001356387871 1067741817 /nfs/dbraw/zinc/74/18/17/1067741817.db2.gz HUVPOQIGBITWDY-UHFFFAOYSA-N 0 0 450.282 4.201 20 5 JIBDRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001356412997 1067746681 /nfs/dbraw/zinc/74/66/81/1067746681.db2.gz JMNYOLSPAQBZJL-UHFFFAOYSA-N 0 0 457.289 4.208 20 5 JIBDRN CCCCCC(=O)NC1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001356421560 1067748734 /nfs/dbraw/zinc/74/87/34/1067748734.db2.gz XIVMDBPZBRQYIU-UHFFFAOYSA-N 0 0 458.481 4.103 20 5 JIBDRN 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CCOCCOc1ccc(Br)cc1NC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC001357650953 1067882281 /nfs/dbraw/zinc/88/22/81/1067882281.db2.gz FXKKBRILJCZMDT-UHFFFAOYSA-N 0 0 453.289 4.424 20 5 JIBDRN CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001357666521 1067884112 /nfs/dbraw/zinc/88/41/12/1067884112.db2.gz ZOHFYWVMHAFSJU-HNNXBMFYSA-N 0 0 454.264 4.479 20 5 JIBDRN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001357697360 1067888257 /nfs/dbraw/zinc/88/82/57/1067888257.db2.gz BYPGWMADFRYRBR-HNNXBMFYSA-N 0 0 459.306 4.228 20 5 JIBDRN COC(=O)[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2O1 ZINC001357705488 1067888915 /nfs/dbraw/zinc/88/89/15/1067888915.db2.gz HXAFKKKGFOELRH-NRFANRHFSA-N 0 0 450.472 4.327 20 5 JIBDRN CC[C@@H](C)N(CCc1ccccc1F)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC001353177702 1067891091 /nfs/dbraw/zinc/89/10/91/1067891091.db2.gz NDHCCKRBPUYUBJ-OAHLLOKOSA-N 0 0 457.531 4.497 20 5 JIBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC001357792726 1067900303 /nfs/dbraw/zinc/90/03/03/1067900303.db2.gz OUEJHTKMOODZIU-UHFFFAOYSA-N 0 0 454.451 4.455 20 5 JIBDRN COc1cccc(Sc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)nc2)c1 ZINC001300230020 1067905071 /nfs/dbraw/zinc/90/50/71/1067905071.db2.gz YORBRKLKQVPQIJ-UHFFFAOYSA-N 0 0 457.533 4.486 20 5 JIBDRN CCCN(CCc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC001353219820 1067920956 /nfs/dbraw/zinc/92/09/56/1067920956.db2.gz RSTIYEPJUUDVPT-UHFFFAOYSA-N 0 0 456.255 4.433 20 5 JIBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(C(=O)c2ccco2)c1)c1ccccc1[N+](=O)[O-] ZINC001353234130 1067937625 /nfs/dbraw/zinc/93/76/25/1067937625.db2.gz WSPFOYGSZFQCKH-LJQANCHMSA-N 0 0 450.447 4.232 20 5 JIBDRN Cc1c(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC001358047148 1068002559 /nfs/dbraw/zinc/00/25/59/1068002559.db2.gz WOZJLYPKDHFGHC-CYBMUJFWSA-N 0 0 452.916 4.196 20 5 JIBDRN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC001358050905 1068003412 /nfs/dbraw/zinc/00/34/12/1068003412.db2.gz MEWWUKGTENDAFM-OAHLLOKOSA-N 0 0 455.540 4.171 20 5 JIBDRN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC001358050878 1068003451 /nfs/dbraw/zinc/00/34/51/1068003451.db2.gz MEWWUKGTENDAFM-HNNXBMFYSA-N 0 0 455.540 4.171 20 5 JIBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC001358113425 1068021845 /nfs/dbraw/zinc/02/18/45/1068021845.db2.gz QUSKVTLVCPELMR-UHFFFAOYSA-N 0 0 456.476 4.442 20 5 JIBDRN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001358124279 1068025698 /nfs/dbraw/zinc/02/56/98/1068025698.db2.gz JEUSCCPQNOMZMY-GOSISDBHSA-N 0 0 457.836 4.070 20 5 JIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 ZINC001358126411 1068026735 /nfs/dbraw/zinc/02/67/35/1068026735.db2.gz NMGZFWKZPIFEQY-GFCCVEGCSA-N 0 0 450.276 4.488 20 5 JIBDRN CN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2Cl)CC1 ZINC001358200345 1068042726 /nfs/dbraw/zinc/04/27/26/1068042726.db2.gz XWMGHVXCOJZLEO-UHFFFAOYSA-N 0 0 453.724 4.015 20 5 JIBDRN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC001358329927 1068067630 /nfs/dbraw/zinc/06/76/30/1068067630.db2.gz RRPHBWVHGSFCDQ-UHFFFAOYSA-N 0 0 456.384 4.296 20 5 JIBDRN O=C(Cc1ccc(OCCOc2ccccc2)cc1)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001358328973 1068067827 /nfs/dbraw/zinc/06/78/27/1068067827.db2.gz AKFKTNJYTYYGJR-UHFFFAOYSA-N 0 0 458.474 4.420 20 5 JIBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC001358346583 1068071280 /nfs/dbraw/zinc/07/12/80/1068071280.db2.gz LGXVIKXBFNWABW-UHFFFAOYSA-N 0 0 459.304 4.191 20 5 JIBDRN O=C(Nc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccn1 ZINC001358361533 1068074719 /nfs/dbraw/zinc/07/47/19/1068074719.db2.gz KMDGBRHOPOCVPL-UHFFFAOYSA-N 0 0 459.231 4.396 20 5 JIBDRN C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C1CC1 ZINC001353386186 1068077133 /nfs/dbraw/zinc/07/71/33/1068077133.db2.gz BCNSYXQZOADSPC-CYBMUJFWSA-N 0 0 452.916 4.078 20 5 JIBDRN COc1ccc(Cl)cc1CN1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001358479241 1068101757 /nfs/dbraw/zinc/10/17/57/1068101757.db2.gz GBOMZEZNWHVRGB-UHFFFAOYSA-N 0 0 452.338 4.187 20 5 JIBDRN CO[C@@H](C(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC001353428631 1068118689 /nfs/dbraw/zinc/11/86/89/1068118689.db2.gz PSKRPNAKVOWLGS-MRXNPFEDSA-N 0 0 451.302 4.239 20 5 JIBDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001353435292 1068131225 /nfs/dbraw/zinc/13/12/25/1068131225.db2.gz GVNNRPPZAIFRFX-LLVKDONJSA-N 0 0 457.355 4.272 20 5 JIBDRN Cc1cc(NC(=O)C2CCN(c3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])CC2)no1 ZINC000608972526 1068204616 /nfs/dbraw/zinc/20/46/16/1068204616.db2.gz SXYXBXZUBZCJMW-UHFFFAOYSA-N 0 0 463.494 4.307 20 5 JIBDRN 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COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCC(N3CCCCC3=O)CC2)cc1 ZINC001355678326 1067548918 /nfs/dbraw/zinc/54/89/18/1067548918.db2.gz JNMUCKAOCWKYCV-UHFFFAOYSA-N 0 0 453.495 4.013 20 5 JIBDRN CC(C)Oc1cccc(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)c1 ZINC001355805785 1067583972 /nfs/dbraw/zinc/58/39/72/1067583972.db2.gz CVWBFZDWMFJWIL-DEOSSOPVSA-N 0 0 457.527 4.438 20 5 JIBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC001355809451 1067584695 /nfs/dbraw/zinc/58/46/95/1067584695.db2.gz HFJWADQKEFQIND-UHFFFAOYSA-N 0 0 452.820 4.484 20 5 JIBDRN COc1cc(I)ccc1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001355822028 1067587481 /nfs/dbraw/zinc/58/74/81/1067587481.db2.gz CYTGHNAIZGCACF-UHFFFAOYSA-N 0 0 452.248 4.013 20 5 JIBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN(Cc2cccc3ccccc32)CC1 ZINC001355878939 1067596945 /nfs/dbraw/zinc/59/69/45/1067596945.db2.gz OTXLGZZGOPPPEO-UHFFFAOYSA-N 0 0 454.324 4.469 20 5 JIBDRN 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O=C(Nc1cccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1)c1ccccn1 ZINC001356346827 1067731745 /nfs/dbraw/zinc/73/17/45/1067731745.db2.gz OFLMBVKEWXVKSR-UHFFFAOYSA-N 0 0 453.458 4.234 20 5 JIBDRN COc1ccc(CNC(=O)c2cc(Br)c(C)cc2Br)cc1[N+](=O)[O-] ZINC001356408569 1067745612 /nfs/dbraw/zinc/74/56/12/1067745612.db2.gz PMSUOWQUTQVABC-UHFFFAOYSA-N 0 0 458.106 4.367 20 5 JIBDRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001356445517 1067754228 /nfs/dbraw/zinc/75/42/28/1067754228.db2.gz WHWXUQYVOVKXFR-QGZVFWFLSA-N 0 0 451.426 4.476 20 5 JIBDRN CCCOC(=O)c1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001356504814 1067766253 /nfs/dbraw/zinc/76/62/53/1067766253.db2.gz MMTXUVKRWKTNLX-UHFFFAOYSA-N 0 0 455.236 4.081 20 5 JIBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001356520525 1067769704 /nfs/dbraw/zinc/76/97/04/1067769704.db2.gz ZEXGLFRUFCUGIC-GFCCVEGCSA-N 0 0 451.907 4.423 20 5 JIBDRN 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CC(=O)Nc1ccc(Br)cc1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001352111018 1067289795 /nfs/dbraw/zinc/28/97/95/1067289795.db2.gz XAPYPJSJXXXTIR-UHFFFAOYSA-N 0 0 456.680 4.377 20 5 JIBDRN C[C@H](OC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001322934512 1067311936 /nfs/dbraw/zinc/31/19/36/1067311936.db2.gz OLYSHJAXHBVCCO-HNNXBMFYSA-N 0 0 471.473 4.390 20 5 JIBDRN COC(=O)c1cccc(Cc2cnc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)s2)c1 ZINC001352227096 1067312969 /nfs/dbraw/zinc/31/29/69/1067312969.db2.gz GANUWEJZUJDDJV-UHFFFAOYSA-N 0 0 451.504 4.489 20 5 JIBDRN O=C(Nc1ccc(OC2CCCC2)nc1)c1cc(I)cc([N+](=O)[O-])c1 ZINC001352261335 1067319533 /nfs/dbraw/zinc/31/95/33/1067319533.db2.gz ZRYLNCCBADXDEA-UHFFFAOYSA-N 0 0 453.236 4.168 20 5 JIBDRN Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC001475061004 1067323332 /nfs/dbraw/zinc/32/33/32/1067323332.db2.gz XKMIUXRYFCMEAM-ZBFHGGJFSA-N 0 0 453.358 4.308 20 5 JIBDRN 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ZINC001355220916 1067391092 /nfs/dbraw/zinc/39/10/92/1067391092.db2.gz GDVWXZISVDLILJ-LLVKDONJSA-N 0 0 453.314 4.098 20 5 JIBDRN Cn1cnnc1Sc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001355248515 1067395291 /nfs/dbraw/zinc/39/52/91/1067395291.db2.gz NRKOJILTLURRFW-HSZRJFAPSA-N 0 0 451.552 4.360 20 5 JIBDRN COc1ccc(C)cc1-c1csc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC001352455236 1067405238 /nfs/dbraw/zinc/40/52/38/1067405238.db2.gz ZUTBLMRELDCRBV-UHFFFAOYSA-N 0 0 454.508 4.124 20 5 JIBDRN CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1 ZINC001355339584 1067426151 /nfs/dbraw/zinc/42/61/51/1067426151.db2.gz IVPZUGJOJWPODT-UHFFFAOYSA-N 0 0 450.394 4.335 20 5 JIBDRN Cc1nn(CCC(=O)Nc2sc3c(c2C(=O)c2ccco2)CC[C@@H](C)C3)c(C)c1[N+](=O)[O-] ZINC001355398170 1067448348 /nfs/dbraw/zinc/44/83/48/1067448348.db2.gz LSGZVIQEGDKDQG-GFCCVEGCSA-N 0 0 456.524 4.447 20 5 JIBDRN Cc1cc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)ccc1Oc1cccnc1 ZINC001355416562 1067457320 /nfs/dbraw/zinc/45/73/20/1067457320.db2.gz DAYVJNBCIAEQOD-UHFFFAOYSA-N 0 0 454.389 4.168 20 5 JIBDRN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)N2CCOCC2)o1 ZINC001352530859 1067484662 /nfs/dbraw/zinc/48/46/62/1067484662.db2.gz DZLBGAZWDQHRNN-FQEVSTJZSA-N 0 0 459.568 4.334 20 5 JIBDRN O=C(NCc1cccc(C(=O)OCc2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001352541254 1067499755 /nfs/dbraw/zinc/49/97/55/1067499755.db2.gz BQGFSUBJCNTPLQ-UHFFFAOYSA-N 0 0 459.502 4.482 20 5 JIBDRN CCOc1cc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c([N+](=O)[O-])cc1OCC ZINC001352541915 1067500393 /nfs/dbraw/zinc/50/03/93/1067500393.db2.gz UYIRXVSPBNVWNA-KUHUBIRLSA-N 0 0 480.315 4.266 20 5 JIBDRN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)n2)s1 ZINC001355692770 1067553650 /nfs/dbraw/zinc/55/36/50/1067553650.db2.gz UIUVNYIXUWVTKS-UHFFFAOYSA-N 0 0 450.929 4.251 20 5 JIBDRN O=C(Nc1ccc(Cl)cc1Br)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001355757903 1067575174 /nfs/dbraw/zinc/57/51/74/1067575174.db2.gz YOFJQZUCKCJYGM-GFCCVEGCSA-N 0 0 458.721 4.316 20 5 JIBDRN Cc1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n(-c2ccc(C(F)(F)F)cn2)n1 ZINC001352625492 1067588765 /nfs/dbraw/zinc/58/87/65/1067588765.db2.gz VLPHXUQSNBMJNK-UHFFFAOYSA-N 0 0 457.771 4.476 20 5 JIBDRN O=C(Nc1cc(F)ccc1OC(F)F)c1cc(I)cc([N+](=O)[O-])c1 ZINC001355884362 1067598702 /nfs/dbraw/zinc/59/87/02/1067598702.db2.gz CRCXNRYMKOOPGD-UHFFFAOYSA-N 0 0 452.126 4.192 20 5 JIBDRN COC(=O)c1cc(OCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC001472989934 1067601555 /nfs/dbraw/zinc/60/15/55/1067601555.db2.gz XNEPSGHQBJNVPP-QFIPXVFZSA-N 0 0 454.866 4.319 20 5 JIBDRN Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)nn1-c1ccccc1[N+](=O)[O-] ZINC001355900570 1067603002 /nfs/dbraw/zinc/60/30/02/1067603002.db2.gz GSZCXWQXSFTFDP-GOSISDBHSA-N 0 0 454.433 4.095 20 5 JIBDRN O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC001352659052 1067608620 /nfs/dbraw/zinc/60/86/20/1067608620.db2.gz YWAFTZBFKDVHCY-UHFFFAOYSA-N 0 0 453.543 4.364 20 5 JIBDRN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001355975845 1067623046 /nfs/dbraw/zinc/62/30/46/1067623046.db2.gz CESWWPCLCYKUIJ-QYZOEREBSA-N 0 0 451.306 4.296 20 5 JIBDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC001356138150 1067670212 /nfs/dbraw/zinc/67/02/12/1067670212.db2.gz YGOXDJKORZVHLA-HOTGVXAUSA-N 0 0 453.495 4.127 20 5 JIBDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCC(=O)Nc1ccc(Br)cc1 ZINC001356159656 1067676441 /nfs/dbraw/zinc/67/64/41/1067676441.db2.gz DAEAQHPXJISTFD-UHFFFAOYSA-N 0 0 454.708 4.088 20 5 JIBDRN CCOc1cc(NC(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)c([N+](=O)[O-])cc1OCC ZINC001356202262 1067689512 /nfs/dbraw/zinc/68/95/12/1067689512.db2.gz HJHSZZKPKLPJME-KRWDZBQOSA-N 0 0 455.511 4.391 20 5 JIBDRN COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000848951291 1067711556 /nfs/dbraw/zinc/71/15/56/1067711556.db2.gz ZNZHUIWVEWFVPF-AWEZNQCLSA-N 0 0 455.492 4.230 20 5 JIBDRN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000848957354 1067715788 /nfs/dbraw/zinc/71/57/88/1067715788.db2.gz ZIHWCENDRNVFGC-HNNXBMFYSA-N 0 0 456.886 4.294 20 5 JIBDRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC001356496694 1067764743 /nfs/dbraw/zinc/76/47/43/1067764743.db2.gz VVGPPKIAFNZFPK-LJQANCHMSA-N 0 0 450.520 4.465 20 5 JIBDRN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1cc(Br)c2c(c1)OCCO2 ZINC001357138277 1067809144 /nfs/dbraw/zinc/80/91/44/1067809144.db2.gz RBQMUBNSJAHSKG-UHFFFAOYSA-N 0 0 455.692 4.031 20 5 JIBDRN Cn1nnnc1Sc1ccc(Cl)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001357155058 1067811741 /nfs/dbraw/zinc/81/17/41/1067811741.db2.gz QHLJJCAHWTUZQU-UHFFFAOYSA-N 0 0 453.311 4.148 20 5 JIBDRN O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1sc(Br)cc1[N+](=O)[O-] ZINC001357205394 1067818290 /nfs/dbraw/zinc/81/82/90/1067818290.db2.gz YOVHDFBUOUWYFP-UHFFFAOYSA-N 0 0 450.270 4.194 20 5 JIBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001352966956 1067821497 /nfs/dbraw/zinc/82/14/97/1067821497.db2.gz ZTXUZVCNZURTIU-UHFFFAOYSA-N 0 0 451.264 4.360 20 5 JIBDRN CC(C)Oc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001357263782 1067827454 /nfs/dbraw/zinc/82/74/54/1067827454.db2.gz IIMMHALKAFMLDI-UHFFFAOYSA-N 0 0 453.417 4.490 20 5 JIBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC001353008915 1067832645 /nfs/dbraw/zinc/83/26/45/1067832645.db2.gz LBNLRBDHNDSMRZ-NRFANRHFSA-N 0 0 453.543 4.262 20 5 JIBDRN COc1ccc([C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC001357322882 1067834079 /nfs/dbraw/zinc/83/40/79/1067834079.db2.gz ADGLKETVAMRZCS-QHCPKHFHSA-N 0 0 453.426 4.489 20 5 JIBDRN C[C@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC001357420416 1067847222 /nfs/dbraw/zinc/84/72/22/1067847222.db2.gz NRATXCDVQXJCOF-LLVKDONJSA-N 0 0 450.278 4.089 20 5 JIBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N(Cc1cccc(Br)c1)C1CC1 ZINC001357454742 1067851964 /nfs/dbraw/zinc/85/19/64/1067851964.db2.gz HZTQHWLZLRVBIY-UHFFFAOYSA-N 0 0 459.275 4.487 20 5 JIBDRN Cc1nc(-c2ccc(NC(=O)c3ccn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)n3)cc2)n[nH]1 ZINC001357455634 1067852322 /nfs/dbraw/zinc/85/23/22/1067852322.db2.gz QHMLPABXNZKYBA-UHFFFAOYSA-N 0 0 458.265 4.433 20 5 JIBDRN O=C(Oc1ccc(Cl)cc1Br)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001353078182 1067853081 /nfs/dbraw/zinc/85/30/81/1067853081.db2.gz NJMZYIIODOEHQY-LLVKDONJSA-N 0 0 459.705 4.282 20 5 JIBDRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001357479062 1067855821 /nfs/dbraw/zinc/85/58/21/1067855821.db2.gz YDKVDINJLJTIDL-NRFANRHFSA-N 0 0 455.939 4.171 20 5 JIBDRN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC001357508045 1067861125 /nfs/dbraw/zinc/86/11/25/1067861125.db2.gz KEHAUMXXTPPAAW-UHFFFAOYSA-N 0 0 457.533 4.048 20 5 JIBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC001357512937 1067862139 /nfs/dbraw/zinc/86/21/39/1067862139.db2.gz IUZKDUPXKNLYFV-CYBMUJFWSA-N 0 0 453.358 4.457 20 5 JIBDRN C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001353126154 1067872669 /nfs/dbraw/zinc/87/26/69/1067872669.db2.gz MRAXKOZVVYDYPJ-LAUBAEHRSA-N 0 0 457.527 4.052 20 5 JIBDRN Cc1ccc(C(=O)N[C@H](C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)C(C)C)cc1 ZINC001357598735 1067875797 /nfs/dbraw/zinc/87/57/97/1067875797.db2.gz FFNWJYGYJOLZFE-FQEVSTJZSA-N 0 0 452.536 4.444 20 5 JIBDRN CN(C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC001357598749 1067875838 /nfs/dbraw/zinc/87/58/38/1067875838.db2.gz FNTZQCPSOGVFAI-IBGZPJMESA-N 0 0 452.492 4.265 20 5 JIBDRN COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c(Br)c1 ZINC001357620921 1067878222 /nfs/dbraw/zinc/87/82/22/1067878222.db2.gz WRBZZJSJXFCGOW-LLVKDONJSA-N 0 0 451.273 4.018 20 5 JIBDRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001357626736 1067879108 /nfs/dbraw/zinc/87/91/08/1067879108.db2.gz PLNTXJNUQOPPLC-XHDPSFHLSA-N 0 0 456.351 4.315 20 5 JIBDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001357666769 1067884136 /nfs/dbraw/zinc/88/41/36/1067884136.db2.gz ZLRPERPKUIRQTL-LBPRGKRZSA-N 0 0 453.364 4.444 20 5 JIBDRN COc1ccc(CCCNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1OC ZINC001357673758 1067885169 /nfs/dbraw/zinc/88/51/69/1067885169.db2.gz VTIJISBNQHATIF-ROUUACIJSA-N 0 0 455.555 4.457 20 5 JIBDRN Cc1cc(C)c(-c2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)n[nH]2)cc1C ZINC000490065979 1067886222 /nfs/dbraw/zinc/88/62/22/1067886222.db2.gz XSSKLZNIITZPDJ-JOCHJYFZSA-N 0 0 461.522 4.462 20 5 JIBDRN Cc1cc([N+](=O)[O-])c(C(=O)NCCC(=O)Nc2ccc(Br)cc2C)cc1Cl ZINC001357806732 1067905796 /nfs/dbraw/zinc/90/57/96/1067905796.db2.gz CVWKOTLCAKGJJY-UHFFFAOYSA-N 0 0 454.708 4.386 20 5 JIBDRN COc1ccc2c(c1)c(C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])c(C)n2C ZINC001353233164 1067933966 /nfs/dbraw/zinc/93/39/66/1067933966.db2.gz 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CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001358153245 1068032487 /nfs/dbraw/zinc/03/24/87/1068032487.db2.gz JPVFHLINVOYIFT-UHFFFAOYSA-N 0 0 457.355 4.101 20 5 JIBDRN COc1ccc(CCN(Cc2ccccc2)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC001358175019 1068037413 /nfs/dbraw/zinc/03/74/13/1068037413.db2.gz JJBTYAPUUURHBK-RUZDIDTESA-N 0 0 459.502 4.368 20 5 JIBDRN CN1C(=O)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001353337875 1068041446 /nfs/dbraw/zinc/04/14/46/1068041446.db2.gz MVDSGYMVSGCCRP-XIKOKIGWSA-N 0 0 457.355 4.440 20 5 JIBDRN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001200313864 1068052923 /nfs/dbraw/zinc/05/29/23/1068052923.db2.gz KCSBBDPZWXTZAB-UHFFFAOYSA-N 0 0 454.874 4.185 20 5 JIBDRN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001358423088 1068088094 /nfs/dbraw/zinc/08/80/94/1068088094.db2.gz RCLKDXUJTJDINI-MRXNPFEDSA-N 0 0 456.568 4.454 20 5 JIBDRN 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CC(C)=CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001359607404 1070069182 /nfs/dbraw/zinc/06/91/82/1070069182.db2.gz OIGJJCCUVDIFBH-GOSISDBHSA-N 0 0 451.531 4.360 20 5 JIBDRN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOC(C)(C)C)CC1 ZINC001359656446 1070235701 /nfs/dbraw/zinc/23/57/01/1070235701.db2.gz PRRYSVJRBFEQAT-GOSISDBHSA-N 0 0 486.617 4.046 20 5 JIBDRN CC(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1Cc1cc(Br)cs1 ZINC001359698569 1070359667 /nfs/dbraw/zinc/35/96/67/1070359667.db2.gz CXLACWSQSAWLPQ-UHFFFAOYSA-N 0 0 480.392 4.220 20 5 JIBDRN COC1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001315677908 1064916234 /nfs/dbraw/zinc/91/62/34/1064916234.db2.gz OFJKPDHGQGBKDZ-SXKUEDQZSA-N 0 0 457.575 4.454 20 5 JIBDRN CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001315684471 1064933274 /nfs/dbraw/zinc/93/32/74/1064933274.db2.gz JRWLOVKTHXXRQP-DKZVUGQWSA-N 0 0 497.518 4.198 20 5 JIBDRN COCC(C)(C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001315759535 1065067674 /nfs/dbraw/zinc/06/76/74/1065067674.db2.gz JFNIKBKFMZWNCJ-QGZVFWFLSA-N 0 0 498.550 4.379 20 5 JIBDRN COCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001315765212 1065083026 /nfs/dbraw/zinc/08/30/26/1065083026.db2.gz GACDNWCNUVRYCW-UHFFFAOYSA-N 0 0 450.543 4.398 20 5 JIBDRN COC[C@H](F)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001315811082 1065157347 /nfs/dbraw/zinc/15/73/47/1065157347.db2.gz DOVZAGDLWLHLAZ-CQSZACIVSA-N 0 0 498.346 4.183 20 5 JIBDRN COCC1(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC001315838423 1065216668 /nfs/dbraw/zinc/21/66/68/1065216668.db2.gz XHNPJWAJYCDDPO-UHFFFAOYSA-N 0 0 497.518 4.344 20 5 JIBDRN COCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CCOCC1 ZINC001315844970 1065233986 /nfs/dbraw/zinc/23/39/86/1065233986.db2.gz SKZZIMWBLGSQGV-AZUAARDMSA-N 0 0 457.575 4.311 20 5 JIBDRN COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)Cc2cccs2)C[C@H](C)O1 ZINC001315927229 1065440774 /nfs/dbraw/zinc/44/07/74/1065440774.db2.gz HKQFPFPYGVFDCD-UWVAXJGDSA-N 0 0 471.583 4.034 20 5 JIBDRN COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CC[C@H](C)C1 ZINC001316078852 1065722557 /nfs/dbraw/zinc/72/25/57/1065722557.db2.gz KWPIVEJKFNLSOT-SIKLNZKXSA-N 0 0 498.628 4.286 20 5 JIBDRN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1CCCC1(C)C ZINC001316274587 1066024943 /nfs/dbraw/zinc/02/49/43/1066024943.db2.gz LTMPHGHIDRWMPE-ZJOUEHCJSA-N 0 0 457.575 4.373 20 5 JIBDRN CS[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](n2cncn2)C1)C(C)(C)C ZINC001316388515 1066160583 /nfs/dbraw/zinc/16/05/83/1066160583.db2.gz MVYLMFDZPPRZEF-MOPGFXCFSA-N 0 0 470.603 4.064 20 5 JIBDRN CS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC2CCCCC2)C1 ZINC001316421659 1066228964 /nfs/dbraw/zinc/22/89/64/1066228964.db2.gz FHFXDOAKLFQSNI-OAQYLSRUSA-N 0 0 486.642 4.414 20 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COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001329039495 1066333131 /nfs/dbraw/zinc/33/31/31/1066333131.db2.gz QLDCEIUSBWFWLC-UHFFFAOYSA-N 0 0 478.486 4.072 20 5 JIBDRN CSCCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCn2cc(C)nc21 ZINC001316465632 1066366690 /nfs/dbraw/zinc/36/66/90/1066366690.db2.gz OPKKIJLDBHCWQD-SFHVURJKSA-N 0 0 455.588 4.125 20 5 JIBDRN CC(C)(C)OC(=O)N[C@@H](c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1)c1ccccc1 ZINC001332047517 1066371262 /nfs/dbraw/zinc/37/12/62/1066371262.db2.gz ZSSHOCMSUHCRPE-QGZVFWFLSA-N 0 0 454.439 4.030 20 5 JIBDRN COc1cc(-c2nc([C@H](NC(=O)OC(C)(C)C)c3ccccc3)no2)c([N+](=O)[O-])cc1OC ZINC001334082242 1066393159 /nfs/dbraw/zinc/39/31/59/1066393159.db2.gz NVCUFCURZIFCRW-GOSISDBHSA-N 0 0 456.455 4.276 20 5 JIBDRN Cc1cccc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1 ZINC001492525013 1066400494 /nfs/dbraw/zinc/40/04/94/1066400494.db2.gz FNVXUKGXCHETKX-OXJNMPFZSA-N 0 0 490.486 4.346 20 5 JIBDRN Cc1cccc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1 ZINC001492525014 1066400560 /nfs/dbraw/zinc/40/05/60/1066400560.db2.gz FNVXUKGXCHETKX-OXQOHEQNSA-N 0 0 490.486 4.346 20 5 JIBDRN C[C@H](Cn1c(CC(C)(C)C)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC001316498929 1066456434 /nfs/dbraw/zinc/45/64/34/1066456434.db2.gz ZTVAHQSHZMBTNY-QGZVFWFLSA-N 0 0 474.606 4.367 20 5 JIBDRN C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC001337180719 1066462958 /nfs/dbraw/zinc/46/29/58/1066462958.db2.gz GPMPIIONNCHNDK-MSOLQXFVSA-N 0 0 494.548 4.142 20 5 JIBDRN COc1cc(C(=O)NCc2cc(Cl)c(OC)c(OC)c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001341097878 1066584808 /nfs/dbraw/zinc/58/48/08/1066584808.db2.gz YHFBJZZUSGWDCO-UHFFFAOYSA-N 0 0 493.925 4.240 20 5 JIBDRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001341764453 1066588622 /nfs/dbraw/zinc/58/86/22/1066588622.db2.gz AEQMBPWYXSMDJX-NINHTKBVSA-N 0 0 469.519 4.010 20 5 JIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2C[C@@H]2CC=CCC2)c1 ZINC001316581565 1066595928 /nfs/dbraw/zinc/59/59/28/1066595928.db2.gz JCZBWZKKNVDPAT-OAHLLOKOSA-N 0 0 451.449 4.103 20 5 JIBDRN O=[N+]([O-])c1ccc(CN(c2nnc([C@@H]3CCOC3)n2CCSC(F)(F)F)C2CC2)cc1 ZINC001316582637 1066599316 /nfs/dbraw/zinc/59/93/16/1066599316.db2.gz SHKHQKCERAYCJH-CQSZACIVSA-N 0 0 457.478 4.112 20 5 JIBDRN O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@@H](c4ccco4)C3)n2CCSCC(F)(F)F)c1 ZINC001316583510 1066601720 /nfs/dbraw/zinc/60/17/20/1066601720.db2.gz XNORWTHZLNKNTM-QGZVFWFLSA-N 0 0 483.472 4.320 20 5 JIBDRN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccc(C(=O)N2CCCC2)cc1 ZINC001317633168 1066628000 /nfs/dbraw/zinc/62/80/00/1066628000.db2.gz CQFBIRWAHHVEBU-UHFFFAOYSA-N 0 0 451.401 4.005 20 5 JIBDRN COc1cc(CNC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC ZINC001345422207 1066641132 /nfs/dbraw/zinc/64/11/32/1066641132.db2.gz CIVFWPNZPHGPPX-UHFFFAOYSA-N 0 0 476.839 4.196 20 5 JIBDRN CCCOc1cc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)c([N+](=O)[O-])cc1OCCC ZINC001317718011 1066645991 /nfs/dbraw/zinc/64/59/91/1066645991.db2.gz LIGHECVFCANNTH-UHFFFAOYSA-N 0 0 466.494 4.279 20 5 JIBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001317741732 1066659866 /nfs/dbraw/zinc/65/98/66/1066659866.db2.gz QTKWEFRGCYRDCN-SFHVURJKSA-N 0 0 483.594 4.420 20 5 JIBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC001347766142 1066695219 /nfs/dbraw/zinc/69/52/19/1066695219.db2.gz VEAOWCDCRWJJKE-GASCZTMLSA-N 0 0 459.568 4.439 20 5 JIBDRN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001347946559 1066709968 /nfs/dbraw/zinc/70/99/68/1066709968.db2.gz DCYNLTIQBVDJRF-UHFFFAOYSA-N 0 0 455.408 4.306 20 5 JIBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001317827509 1066712328 /nfs/dbraw/zinc/71/23/28/1066712328.db2.gz KIRIRNFSYMSJEL-UHFFFAOYSA-N 0 0 482.468 4.128 20 5 JIBDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)c1ccc(Br)s1 ZINC001317846467 1066728814 /nfs/dbraw/zinc/72/88/14/1066728814.db2.gz KRNZKGRFMUOLPO-UHFFFAOYSA-N 0 0 480.296 4.043 20 5 JIBDRN COc1ccc(C(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC001317849875 1066731163 /nfs/dbraw/zinc/73/11/63/1066731163.db2.gz HRXNRTNMQFAUKL-UHFFFAOYSA-N 0 0 452.463 4.149 20 5 JIBDRN CCCCC1(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)CC1 ZINC001348496803 1066750303 /nfs/dbraw/zinc/75/03/03/1066750303.db2.gz IHFGJQNIVSVAPO-FOWTUZBSSA-N 0 0 451.932 4.371 20 5 JIBDRN C/C(=C\C(C)(C)C)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC001348496843 1066750853 /nfs/dbraw/zinc/75/08/53/1066750853.db2.gz JHTDFOKMGHKPHA-QUALZDFUSA-N 0 0 451.932 4.393 20 5 JIBDRN C[C@H]([C@@H](OC(=O)/C=C/c1nccs1)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001348616056 1066763404 /nfs/dbraw/zinc/76/34/04/1066763404.db2.gz OSLHAOCHPWXISL-AMXKLFAOSA-N 0 0 487.559 4.058 20 5 JIBDRN 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