smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncsc1CCN1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001276050849 861304139 /nfs/dbraw/zinc/30/41/39/861304139.db2.gz QDXDHEDTABDCOP-VXGBXAGGSA-N 0 1 354.432 0.212 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2COc3ccccc3[C@@H]2O)n1 ZINC001118816986 847589751 /nfs/dbraw/zinc/58/97/51/847589751.db2.gz VFZUGFNVKUQGHV-CABZTGNLSA-N 0 1 354.344 0.101 10 5 FCBEMN COc1cccc(CN2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1Cl ZINC001271281843 859931166 /nfs/dbraw/zinc/93/11/66/859931166.db2.gz JHTSPVPSVNHSNN-VXGBXAGGSA-N 0 1 369.805 0.677 10 5 FCBEMN O=C(Cc1ccsc1)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001280549382 863431662 /nfs/dbraw/zinc/43/16/62/863431662.db2.gz XKQZZTOXPFDCIY-VXGBXAGGSA-N 0 1 353.400 0.035 10 5 FCBEMN CCCCC1(C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001280554316 863432626 /nfs/dbraw/zinc/43/26/26/863432626.db2.gz OAHZQZZBKQMQHT-CHWSQXEVSA-N 0 1 353.419 0.702 10 5 FCBEMN CC(=O)N(C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001280578554 863439094 /nfs/dbraw/zinc/43/90/94/863439094.db2.gz YQBFMVPWFIFGAK-CHWSQXEVSA-N 0 1 354.407 0.065 10 5 FCBEMN Cc1cccc(C(=O)N(C)CCOCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001280906038 863455503 /nfs/dbraw/zinc/45/55/03/863455503.db2.gz KZMULUURNLQIIL-TZMCWYRMSA-N 0 1 350.375 0.260 10 5 FCBEMN COCC(C)(C)CC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281378835 863518652 /nfs/dbraw/zinc/51/86/52/863518652.db2.gz YWOIHTKFXNMVLT-ZIAGYGMSSA-N 0 1 353.419 0.989 10 5 FCBEMN COCC1(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001283538403 864504106 /nfs/dbraw/zinc/50/41/06/864504106.db2.gz ANCKMXLMNQHJBM-CHWSQXEVSA-N 0 1 357.407 0.060 10 5 FCBEMN O=C(CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001284911124 864601080 /nfs/dbraw/zinc/60/10/80/864601080.db2.gz WMKAEOBDFZBIHF-HUUCEWRRSA-N 0 1 350.419 0.316 10 5 FCBEMN O=C(CCOCC(F)(F)F)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284980499 864603208 /nfs/dbraw/zinc/60/32/08/864603208.db2.gz ZBSHPOJKJROANU-NXEZZACHSA-N 0 1 353.297 0.195 10 5 FCBEMN Cc1noc(C(F)F)c1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285542199 864635214 /nfs/dbraw/zinc/63/52/14/864635214.db2.gz AFCKLOSMSQNDQS-BNEREYBLSA-N 0 1 358.301 0.988 10 5 FCBEMN COCc1ncsc1C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285929988 864655681 /nfs/dbraw/zinc/65/56/81/864655681.db2.gz GQDTWHPRENORBC-PSASIEDQSA-N 0 1 354.388 0.333 10 5 FCBEMN COCCN(C(=O)C1CCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285979482 864666068 /nfs/dbraw/zinc/66/60/68/864666068.db2.gz PZQNGZZYNWIJLM-HUUCEWRRSA-N 0 1 353.419 0.918 10 5 FCBEMN CCCC(=O)NCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001286042071 864671337 /nfs/dbraw/zinc/67/13/37/864671337.db2.gz WLLQWZYQYFMZGQ-VXGBXAGGSA-N 0 1 354.407 0.065 10 5 FCBEMN CCNC(=O)CCC(=O)N(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001287357814 864714108 /nfs/dbraw/zinc/71/41/08/864714108.db2.gz UVHYDVQYBTXGNR-CHWSQXEVSA-N 0 1 354.407 0.017 10 5 FCBEMN CCc1nocc1C(=O)NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288764826 864801815 /nfs/dbraw/zinc/80/18/15/864801815.db2.gz VDSONIOOHQAVFK-ZWNOBZJWSA-N 0 1 350.375 0.919 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncn2cc(Cl)ccc12 ZINC001293306216 865786089 /nfs/dbraw/zinc/78/60/89/865786089.db2.gz AGRGMOSGYCKOTJ-ZYHUDNBSSA-N 0 1 365.777 0.889 10 5 FCBEMN CCc1nn(C)c(Cl)c1C(=O)N(C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001294065407 865818328 /nfs/dbraw/zinc/81/83/28/865818328.db2.gz DQPRECNXAHOKDZ-MWLCHTKSSA-N 0 1 371.825 0.879 10 5 FCBEMN CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)CCCC(N)=O ZINC001296886637 865994543 /nfs/dbraw/zinc/99/45/43/865994543.db2.gz BHFDGXFSKZZGMH-CHWSQXEVSA-N 0 1 354.407 0.004 10 5 FCBEMN O=C(NCCn1cc(Br)ccc1=O)c1n[nH]cc1[N+](=O)[O-] ZINC001298603230 866121169 /nfs/dbraw/zinc/12/11/69/866121169.db2.gz WKTXHSVBMCFXKG-UHFFFAOYSA-N 0 1 356.136 0.672 10 5 FCBEMN CN(C(=O)COc1ccc(F)cc1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001299355219 866169486 /nfs/dbraw/zinc/16/94/86/866169486.db2.gz WZOWSIQETWTRSM-ZIAGYGMSSA-N 0 1 351.334 0.539 10 5 FCBEMN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccn[nH]1 ZINC001299487194 866179306 /nfs/dbraw/zinc/17/93/06/866179306.db2.gz PBHOHPVZSLWZFC-UHFFFAOYSA-N 0 1 353.360 0.368 10 5 FCBEMN C[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC001299867901 866198772 /nfs/dbraw/zinc/19/87/72/866198772.db2.gz ICJJLXSCSTZHKI-NSHDSACASA-N 0 1 358.420 0.282 10 5 FCBEMN Cc1nn(C)c(C)c1CCC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001355591885 867814669 /nfs/dbraw/zinc/81/46/69/867814669.db2.gz KHWLGSOYMYFGSU-ZIAGYGMSSA-N 0 1 351.407 0.209 10 5 FCBEMN CCc1onc(C)c1C(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356614071 868033102 /nfs/dbraw/zinc/03/31/02/868033102.db2.gz JGWVTQZYTPNYPN-VXGBXAGGSA-N 0 1 350.375 0.931 10 5 FCBEMN O=C(Cc1ncccc1F)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356613851 868033999 /nfs/dbraw/zinc/03/39/99/868033999.db2.gz DMGHYWMLAJYHJL-BXUZGUMPSA-N 0 1 350.350 0.536 10 5 FCBEMN Cc1cn(C)nc1C(=O)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001356665827 868040006 /nfs/dbraw/zinc/04/00/06/868040006.db2.gz SWRKTHJIWDAZGT-CHWSQXEVSA-N 0 1 351.407 0.751 10 5 FCBEMN Cc1cc(CC(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)ncc1Cl ZINC001356820067 868051914 /nfs/dbraw/zinc/05/19/14/868051914.db2.gz RZCFFWOAWBMUAS-TZMCWYRMSA-N 0 1 366.805 0.826 10 5 FCBEMN Cc1cc(C)n(CCC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001357216299 868088365 /nfs/dbraw/zinc/08/83/65/868088365.db2.gz KPWYQTXIZZEDNX-ZIAGYGMSSA-N 0 1 351.407 0.472 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1noc2c1CCCC2 ZINC001357225125 868088462 /nfs/dbraw/zinc/08/84/62/868088462.db2.gz SSUORQAQZRKDPN-VXGBXAGGSA-N 0 1 350.375 0.749 10 5 FCBEMN Cc1ncsc1CCC(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001358748744 868253227 /nfs/dbraw/zinc/25/32/27/868253227.db2.gz PWXMEGFQVCSKHK-VXGBXAGGSA-N 0 1 352.416 0.719 10 5 FCBEMN CN(CCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(F)c[nH]1 ZINC001345165398 871212112 /nfs/dbraw/zinc/21/21/12/871212112.db2.gz IQYPXDKSXJRXCW-DGCLKSJQSA-N 0 1 356.354 0.366 10 5 FCBEMN CC(C)(C)CC(=O)N1CCC(N(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001345720860 871472889 /nfs/dbraw/zinc/47/28/89/871472889.db2.gz WQRGUUJTGHNJKY-ZIAGYGMSSA-N 0 1 355.435 0.900 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)n1 ZINC001328755045 871607630 /nfs/dbraw/zinc/60/76/30/871607630.db2.gz BYTAYJJYEHKFMU-JOYOIKCWSA-N 0 1 370.391 0.260 10 5 FCBEMN CS(=O)(=O)N[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265294022 210089070 /nfs/dbraw/zinc/08/90/70/210089070.db2.gz KWSFBWLTUAOLTI-NSHDSACASA-N 0 1 356.404 0.547 10 5 FCBEMN CN1CC[C@@H]2OCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000284999276 213264365 /nfs/dbraw/zinc/26/43/65/213264365.db2.gz YMXUVASUTYVNQU-IRXDYDNUSA-N 0 1 360.414 0.889 10 5 FCBEMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366760484 216027655 /nfs/dbraw/zinc/02/76/55/216027655.db2.gz SLXCSSZNJNHFDS-HUUCEWRRSA-N 0 1 362.386 0.821 10 5 FCBEMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CN3CCOCC3)CC2)n1 ZINC000191774106 209289519 /nfs/dbraw/zinc/28/95/19/209289519.db2.gz ORJBLQOBLHAHCT-UHFFFAOYSA-N 0 1 351.407 0.996 10 5 FCBEMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)c1C ZINC000275378360 212015933 /nfs/dbraw/zinc/01/59/33/212015933.db2.gz XCKTYMNWEHQAIK-UHFFFAOYSA-N 0 1 371.415 0.993 10 5 FCBEMN C[C@@H]1C[C@]2(CCO1)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](C)O2 ZINC000374023763 217085868 /nfs/dbraw/zinc/08/58/68/217085868.db2.gz BZBYFWWRFMRQFT-BFJAYTPKSA-N 0 1 354.407 0.811 10 5 FCBEMN CCc1[nH]nc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1[N+](=O)[O-] ZINC000374701091 217158926 /nfs/dbraw/zinc/15/89/26/217158926.db2.gz FKULCAIDIGEFDI-UHFFFAOYSA-N 0 1 371.419 0.520 10 5 FCBEMN CC1CCN(CC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092518698 208146057 /nfs/dbraw/zinc/14/60/57/208146057.db2.gz MXNHOQDSPUNXKY-WBVHZDCISA-N 0 1 351.403 0.837 10 5 FCBEMN C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000107356752 208239604 /nfs/dbraw/zinc/23/96/04/208239604.db2.gz WVUJHYORJQSCLU-CYBMUJFWSA-N 0 1 363.418 0.938 10 5 FCBEMN C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000107356752 208239610 /nfs/dbraw/zinc/23/96/10/208239610.db2.gz WVUJHYORJQSCLU-CYBMUJFWSA-N 0 1 363.418 0.938 10 5 FCBEMN CCOC(=O)C[C@H]1C[C@@H](OC)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000364340991 488948760 /nfs/dbraw/zinc/94/87/60/488948760.db2.gz SSMPMUBVBMHONU-ZIAGYGMSSA-N 0 1 353.375 0.799 10 5 FCBEMN CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)n1 ZINC000191763306 488421534 /nfs/dbraw/zinc/42/15/34/488421534.db2.gz FNZMWEUDACDSMX-UHFFFAOYSA-N 0 1 373.417 0.888 10 5 FCBEMN CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CCN1C[C@H](C)O ZINC000247022842 488480076 /nfs/dbraw/zinc/48/00/76/488480076.db2.gz WVRCKWZCTRZADK-GXTWGEPZSA-N 0 1 353.423 0.793 10 5 FCBEMN COCCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248373391 488495088 /nfs/dbraw/zinc/49/50/88/488495088.db2.gz IPKJOXRTHIIGIH-LSDHHAIUSA-N 0 1 353.419 0.987 10 5 FCBEMN Cc1nc(CN2CCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CC2)n[nH]1 ZINC000118680494 488553810 /nfs/dbraw/zinc/55/38/10/488553810.db2.gz PVWUKKPSZONEGQ-UHFFFAOYSA-N 0 1 362.394 0.261 10 5 FCBEMN Cc1nc(CN2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000135402200 488672433 /nfs/dbraw/zinc/67/24/33/488672433.db2.gz XGUANICORBBLIE-UHFFFAOYSA-N 0 1 359.390 0.778 10 5 FCBEMN Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000153186136 488727795 /nfs/dbraw/zinc/72/77/95/488727795.db2.gz WQYXMNIRJGCVNA-QWHCGFSZSA-N 0 1 352.347 0.823 10 5 FCBEMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCCCN1CCO ZINC000451673279 489516690 /nfs/dbraw/zinc/51/66/90/489516690.db2.gz VDMVSMMGRBGLCA-HNNXBMFYSA-N 0 1 371.459 0.904 10 5 FCBEMN Cc1nn(CCC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000416302727 489580504 /nfs/dbraw/zinc/58/05/04/489580504.db2.gz WYNDDJZCGVHAFH-NEPJUHHUSA-N 0 1 353.423 0.712 10 5 FCBEMN COC(=O)c1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000416374243 489586226 /nfs/dbraw/zinc/58/62/26/489586226.db2.gz QUGIZTJELWXXOR-UHFFFAOYSA-N 0 1 357.388 0.754 10 5 FCBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1CS(N)(=O)=O ZINC000510698238 490535436 /nfs/dbraw/zinc/53/54/36/490535436.db2.gz JKQLHIZFAUXBNB-ZDUSSCGKSA-N 0 1 370.431 0.985 10 5 FCBEMN Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000543392203 490931453 /nfs/dbraw/zinc/93/14/53/490931453.db2.gz REZVUFGEOFMGJL-AWEZNQCLSA-N 0 1 373.369 0.955 10 5 FCBEMN CN(C)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000531887216 490979495 /nfs/dbraw/zinc/97/94/95/490979495.db2.gz MVUQCGRUCIMMKU-ZDUSSCGKSA-N 0 1 370.431 0.571 10 5 FCBEMN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000600807763 491883948 /nfs/dbraw/zinc/88/39/48/491883948.db2.gz WCCYLPFUIGIUIA-SNVBAGLBSA-N 0 1 373.435 0.843 10 5 FCBEMN CC(C)(C)N1C[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O ZINC000595361154 491923596 /nfs/dbraw/zinc/92/35/96/491923596.db2.gz QJNNTPKILWBQEP-SNVBAGLBSA-N 0 1 356.404 0.915 10 5 FCBEMN CC[C@H](CO)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596143091 491977541 /nfs/dbraw/zinc/97/75/41/491977541.db2.gz WTMMLRJDKMSXNF-LLVKDONJSA-N 0 1 358.420 0.135 10 5 FCBEMN CCN(C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000597943875 492074224 /nfs/dbraw/zinc/07/42/24/492074224.db2.gz ACRWGVXGGAXGLG-NSHDSACASA-N 0 1 370.431 0.717 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC(=O)NC2CCCCC2)n1 ZINC000599226476 492145326 /nfs/dbraw/zinc/14/53/26/492145326.db2.gz JFCBBKUMDABWAJ-UHFFFAOYSA-N 0 1 359.408 0.446 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCN(CC(F)(F)F)C2)n1 ZINC000599227091 492145765 /nfs/dbraw/zinc/14/57/65/492145765.db2.gz ROZHULWUUUEDGR-MRVPVSSYSA-N 0 1 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ZINC001718977379 1287602894 /nfs/dbraw/zinc/60/28/94/1287602894.db2.gz GYFTZIAIHXWZLQ-HUUCEWRRSA-N 0 1 362.386 0.856 10 5 FCBEMN CNC(=O)CCCCC(=O)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001681348649 1283493173 /nfs/dbraw/zinc/49/31/73/1283493173.db2.gz GILBBSMYSHECDZ-ZIAGYGMSSA-N 0 1 366.418 0.233 10 5 FCBEMN CC(C)CCC(=O)N1CCC(N(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001702736112 1285831958 /nfs/dbraw/zinc/83/19/58/1285831958.db2.gz LLLGPZJJQAQIJC-HUUCEWRRSA-N 0 1 355.435 0.900 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cncn1-c1ccccc1 ZINC001703363897 1286100582 /nfs/dbraw/zinc/10/05/82/1286100582.db2.gz BUIOXCXRZWNMPK-ZIAGYGMSSA-N 0 1 357.370 0.774 10 5 FCBEMN CC(C)CC(=O)NCCC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001703483321 1286112074 /nfs/dbraw/zinc/11/20/74/1286112074.db2.gz KPPJKRKDKIPXRV-ZIAGYGMSSA-N 0 1 368.434 0.265 10 5 FCBEMN CC(C)c1nccn1CC(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001703583348 1286120231 /nfs/dbraw/zinc/12/02/31/1286120231.db2.gz 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CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnn(CC)c1C ZINC001704374933 1286236925 /nfs/dbraw/zinc/23/69/25/1286236925.db2.gz NKRWVKHPGMDGNU-TZMCWYRMSA-N 0 1 351.407 0.845 10 5 FCBEMN CCCN(CCNC(=O)C(=O)Nc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704380256 1286237678 /nfs/dbraw/zinc/23/76/78/1286237678.db2.gz WQOULPMCDUPEFH-ZIAGYGMSSA-N 0 1 362.386 0.645 10 5 FCBEMN CC(C)c1cc(C(=O)NCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)nn1C ZINC001704399044 1286241071 /nfs/dbraw/zinc/24/10/71/1286241071.db2.gz WEWAKKVSSASSOB-IUODEOHRSA-N 0 1 363.418 0.930 10 5 FCBEMN COc1cccc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1F ZINC001705034679 1286336280 /nfs/dbraw/zinc/33/62/80/1286336280.db2.gz FIQCHOCGUAMHOG-JDEDCZITSA-N 0 1 351.334 0.902 10 5 FCBEMN CC(C)(C)n1cnc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001705035061 1286337411 /nfs/dbraw/zinc/33/74/11/1286337411.db2.gz KKPGSXICOBEVJS-WQMVXFAESA-N 0 1 350.379 0.101 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1c[nH]c2ccccc2c1=O ZINC001705035349 1286338604 /nfs/dbraw/zinc/33/86/04/1286338604.db2.gz PUWZPXMVRPWSGS-YUOQAEMBSA-N 0 1 370.365 0.596 10 5 FCBEMN O=C(NCC1(NC(=O)C2(C3CC3)CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001705263923 1286363901 /nfs/dbraw/zinc/36/39/01/1286363901.db2.gz URIYJCQDWHNVCC-CHWSQXEVSA-N 0 1 351.403 0.623 10 5 FCBEMN Cc1noc(C)c1CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001736067590 1289130153 /nfs/dbraw/zinc/13/01/53/1289130153.db2.gz GQUKQLLMYNKBEP-ZMJPVWNMSA-N 0 1 350.375 0.510 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1coc(Br)c1 ZINC001720273255 1288217538 /nfs/dbraw/zinc/21/75/38/1288217538.db2.gz REPDGJGLDUOLLU-RKDXNWHRSA-N 0 1 360.164 0.943 10 5 FCBEMN CC(=O)NCC(C)(C)C(=O)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001720417380 1288231291 /nfs/dbraw/zinc/23/12/91/1288231291.db2.gz QZJAGBADGXYIKD-ZIAGYGMSSA-N 0 1 368.434 0.169 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c(OC)cc[nH]c1=O ZINC001720603197 1288242088 /nfs/dbraw/zinc/24/20/88/1288242088.db2.gz JTDKGFLSGMSWOV-GHMZBOCLSA-N 0 1 366.374 0.429 10 5 FCBEMN O=C(Cc1ncccc1F)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001720652775 1288246904 /nfs/dbraw/zinc/24/69/04/1288246904.db2.gz BFVUIHRSDBARQC-IUODEOHRSA-N 0 1 364.377 0.926 10 5 FCBEMN Cc1cc(CC(=O)N(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)n(C)n1 ZINC001720652762 1288246926 /nfs/dbraw/zinc/24/69/26/1288246926.db2.gz ATUKWJQNNSCVEF-HUUCEWRRSA-N 0 1 363.418 0.434 10 5 FCBEMN O=C(C=C1CCC1)N1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001720673814 1288250519 /nfs/dbraw/zinc/25/05/19/1288250519.db2.gz CDPQIFNTWNWDJH-HUUCEWRRSA-N 0 1 350.419 0.412 10 5 FCBEMN CC(C)(C(=O)N1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001720684275 1288253622 /nfs/dbraw/zinc/25/36/22/1288253622.db2.gz RDGMBVZBXSKWSV-ZIAGYGMSSA-N 0 1 352.435 0.348 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c[nH]c(=O)cc1OC ZINC001721143339 1288298957 /nfs/dbraw/zinc/29/89/57/1288298957.db2.gz FBOIMIPRCDPXKV-MWLCHTKSSA-N 0 1 352.347 0.039 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c[nH]cc2ncnc1-2 ZINC001721208927 1288312182 /nfs/dbraw/zinc/31/21/82/1288312182.db2.gz CPCUIEOBHYCYQY-ZWNOBZJWSA-N 0 1 360.374 0.592 10 5 FCBEMN CC(C)c1cc(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)nn1C ZINC001721230750 1288316157 /nfs/dbraw/zinc/31/61/57/1288316157.db2.gz PUNAIIMZVARLAF-IUODEOHRSA-N 0 1 363.418 0.930 10 5 FCBEMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(=O)[nH]n1 ZINC001721261005 1288322867 /nfs/dbraw/zinc/32/28/67/1288322867.db2.gz MXVXZBHQSBNFOH-ZYHUDNBSSA-N 0 1 351.363 0.204 10 5 FCBEMN Cc1cn2ccnc(C(=O)N(C)CCN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])c2n1 ZINC001721705964 1288369224 /nfs/dbraw/zinc/36/92/24/1288369224.db2.gz TYSRERHYYHQWIS-VXGBXAGGSA-N 0 1 360.374 0.233 10 5 FCBEMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc2ccccc2oc1=O ZINC001721854916 1288386300 /nfs/dbraw/zinc/38/63/00/1288386300.db2.gz OJBBYYBIOKWNIA-YTRGCGJWSA-N 0 1 371.349 0.860 10 5 FCBEMN O=C(CN1CCCCCCC1=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721855536 1288386411 /nfs/dbraw/zinc/38/64/11/1288386411.db2.gz SVLQXMVWJXAXDH-KOABKASLSA-N 0 1 366.418 0.233 10 5 FCBEMN CN(C)c1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1F ZINC001722077770 1288400018 /nfs/dbraw/zinc/40/00/18/1288400018.db2.gz SFQVBRQJMDZSQR-BXUZGUMPSA-N 0 1 364.377 0.936 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccnc1-n1cccn1 ZINC001722088745 1288403298 /nfs/dbraw/zinc/40/32/98/1288403298.db2.gz SNTKIBHHAHRVGZ-CHWSQXEVSA-N 0 1 370.369 0.311 10 5 FCBEMN O=C(NCC1(NCc2nncn2-c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001723514854 1288425105 /nfs/dbraw/zinc/42/51/05/1288425105.db2.gz LOHJRALRGJAEDW-ZIAGYGMSSA-N 0 1 356.386 0.671 10 5 FCBEMN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c(Cl)cnn1C ZINC001725937069 1288480432 /nfs/dbraw/zinc/48/04/32/1288480432.db2.gz QWSADAXKIXRRJK-MWLCHTKSSA-N 0 1 371.825 0.953 10 5 FCBEMN CC(C)n1cccc1C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001726037332 1288488063 /nfs/dbraw/zinc/48/80/63/1288488063.db2.gz JIWJOLWDNIHKFK-TZMCWYRMSA-N 0 1 364.402 0.427 10 5 FCBEMN Cc1ccccc1CNC(=O)CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001733304514 1288608106 /nfs/dbraw/zinc/60/81/06/1288608106.db2.gz HMHADXUTDNTXNN-HZPDHXFCSA-N 0 1 360.414 0.419 10 5 FCBEMN CCN(C)C(=O)CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733677781 1288624849 /nfs/dbraw/zinc/62/48/49/1288624849.db2.gz SIQLEBKDMKCFBW-HZPDHXFCSA-N 0 1 362.430 0.878 10 5 FCBEMN Cc1cnn(C)c1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001734842510 1288688954 /nfs/dbraw/zinc/68/89/54/1288688954.db2.gz OUQKORWCRLEYOY-CHWSQXEVSA-N 0 1 363.418 0.943 10 5 FCBEMN Cc1nscc1C(=O)NCCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001735113392 1288699468 /nfs/dbraw/zinc/69/94/68/1288699468.db2.gz BVFZQKAYCSSMFF-ZYHUDNBSSA-N 0 1 356.404 0.322 10 5 FCBEMN Cc1ncc(C(=O)NCCOCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001735111237 1288699723 /nfs/dbraw/zinc/69/97/23/1288699723.db2.gz JVVDSOVDNBIXBD-GHMZBOCLSA-N 0 1 356.404 0.322 10 5 FCBEMN COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncccc1C ZINC001735468784 1288749345 /nfs/dbraw/zinc/74/93/45/1288749345.db2.gz NAZWWTLRMKXTNN-CHWSQXEVSA-N 0 1 350.375 0.260 10 5 FCBEMN CC(C)(C)CC(=O)N(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001736304534 1289254713 /nfs/dbraw/zinc/25/47/13/1289254713.db2.gz FZIGUURATNZMTP-ZIAGYGMSSA-N 0 1 355.435 0.900 10 5 FCBEMN CC/C=C(\C)C(=O)N1CCC(N(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001736305203 1289255072 /nfs/dbraw/zinc/25/50/72/1289255072.db2.gz DKPZWIUPIBHZAW-BUZWVPAYSA-N 0 1 353.419 0.820 10 5 FCBEMN CC/C=C(/C)C(=O)NCc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001736428940 1289339223 /nfs/dbraw/zinc/33/92/23/1289339223.db2.gz FYOMZSVIDGBVPN-WADSTATCSA-N 0 1 362.390 0.299 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)cn1 ZINC001736928613 1289496140 /nfs/dbraw/zinc/49/61/40/1289496140.db2.gz VLPVCXWXKDQDPC-UKRRQHHQSA-N 0 1 357.370 0.774 10 5 FCBEMN O=C(CN1CCc2sccc2C1)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001736928608 1289496677 /nfs/dbraw/zinc/49/66/77/1289496677.db2.gz VIRKKLVDDKFLGU-CHWSQXEVSA-N 0 1 366.443 0.394 10 5 FCBEMN Cn1cc(Cl)c(C(=O)N(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)n1 ZINC001737309025 1289526872 /nfs/dbraw/zinc/52/68/72/1289526872.db2.gz AJLKQLQHADIOLD-ZYHUDNBSSA-N 0 1 369.809 0.850 10 5 FCBEMN O=C(NCCCN(C(=O)c1cnc2n1CCC2)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001737309599 1289527869 /nfs/dbraw/zinc/52/78/69/1289527869.db2.gz XRZZSLNZLGNDPI-CHWSQXEVSA-N 0 1 361.402 0.605 10 5 FCBEMN O=C(NCCCN1CCN(C(=O)C2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001737331670 1289530339 /nfs/dbraw/zinc/53/03/39/1289530339.db2.gz XQRKFZOEVGKIFP-HUUCEWRRSA-N 0 1 352.435 0.492 10 5 FCBEMN COCCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737424772 1289548030 /nfs/dbraw/zinc/54/80/30/1289548030.db2.gz CQCBCURJYGNMCT-XJFOESAGSA-N 0 1 353.419 0.916 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1sc(COC)nc1C ZINC001737797741 1289587754 /nfs/dbraw/zinc/58/77/54/1289587754.db2.gz MSWIWEMWUNFBHN-GHMZBOCLSA-N 0 1 370.431 0.841 10 5 FCBEMN O=C(NC1(CCO)CN(CCOc2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001700490810 1289596065 /nfs/dbraw/zinc/59/60/65/1289596065.db2.gz LCJSJJJZDVQVNN-TZMCWYRMSA-N 0 1 367.377 0.423 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(=O)c(OC)co1 ZINC001737859887 1289599561 /nfs/dbraw/zinc/59/95/61/1289599561.db2.gz LOESVWZLZFYLAN-GHMZBOCLSA-N 0 1 367.358 0.282 10 5 FCBEMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccnn1C ZINC001737913321 1289609549 /nfs/dbraw/zinc/60/95/49/1289609549.db2.gz FMPUFNYCIFKEEI-ZIAGYGMSSA-N 0 1 351.407 0.371 10 5 FCBEMN O=C(Cn1ccc2ccccc21)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001738052523 1289623810 /nfs/dbraw/zinc/62/38/10/1289623810.db2.gz GCIJCOJLVBGNGZ-GDBMZVCRSA-N 0 1 356.382 0.881 10 5 FCBEMN CCOc1cc(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC001701154061 1289632903 /nfs/dbraw/zinc/63/29/03/1289632903.db2.gz 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CC1CCN(CC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092518697 208144968 /nfs/dbraw/zinc/14/49/68/208144968.db2.gz MXNHOQDSPUNXKY-RDJZCZTQSA-N 0 1 351.403 0.837 10 5 FCBEMN CC1CCN(CC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092518696 208146150 /nfs/dbraw/zinc/14/61/50/208146150.db2.gz MXNHOQDSPUNXKY-NVXWUHKLSA-N 0 1 351.403 0.837 10 5 FCBEMN CC[C@@H](CO)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273485800 488654148 /nfs/dbraw/zinc/65/41/48/488654148.db2.gz NUSSBDFCSZIEHW-NSHDSACASA-N 0 1 358.420 0.135 10 5 FCBEMN CNS(=O)(=O)c1ccc(N2CCCN(CCOC)CC2)c([N+](=O)[O-])c1 ZINC000267501359 488791798 /nfs/dbraw/zinc/79/17/98/488791798.db2.gz LAAFQQMOWGEJRR-UHFFFAOYSA-N 0 1 372.447 0.661 10 5 FCBEMN CCOCCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1CC ZINC000162078501 488800699 /nfs/dbraw/zinc/80/06/99/488800699.db2.gz BQUFYBQALTVKEM-CQSZACIVSA-N 0 1 368.438 0.934 10 5 FCBEMN CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CCN1C[C@@H](C)O ZINC000174637360 488850424 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0.900 10 5 FCBEMN O=C(NC[C@@H]1CN2CCN1CCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590354978 491774182 /nfs/dbraw/zinc/77/41/82/491774182.db2.gz GTNWPMXRHQXOGA-MRXNPFEDSA-N 0 1 370.413 0.900 10 5 FCBEMN O=C(N1CCNCC1)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000600713591 491878357 /nfs/dbraw/zinc/87/83/57/491878357.db2.gz JVQBIFGPRDWGIP-UHFFFAOYSA-N 0 1 351.382 0.877 10 5 FCBEMN C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)CN1CCO ZINC000596275940 491982124 /nfs/dbraw/zinc/98/21/24/491982124.db2.gz XANPRYIZJXNSHV-QWRGUYRKSA-N 0 1 358.420 0.134 10 5 FCBEMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CN2CCN1CCC2 ZINC000597626406 492052523 /nfs/dbraw/zinc/05/25/23/492052523.db2.gz UBJSEPOCCYURJX-GFCCVEGCSA-N 0 1 354.357 0.922 10 5 FCBEMN COc1cc(C(=O)NC[C@H]2CN3CCN2CCC3)c([N+](=O)[O-])cc1F ZINC000597627466 492052929 /nfs/dbraw/zinc/05/29/29/492052929.db2.gz UPROZRQAPTYNFC-NSHDSACASA-N 0 1 352.366 0.862 10 5 FCBEMN CCCOc1ncccc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599222670 492144848 /nfs/dbraw/zinc/14/48/48/492144848.db2.gz DGRBZOGONGGHLD-UHFFFAOYSA-N 0 1 355.376 0.991 10 5 FCBEMN COc1ccc(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1F ZINC000599234269 492146499 /nfs/dbraw/zinc/14/64/99/492146499.db2.gz GZEAQTDMUITLIE-UHFFFAOYSA-N 0 1 358.351 0.997 10 5 FCBEMN COc1cc(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1O ZINC000599237930 492147150 /nfs/dbraw/zinc/14/71/50/492147150.db2.gz HXXSQVVCKRVESS-UHFFFAOYSA-N 0 1 356.360 0.564 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2ccc3c(c2)CCO3)n1 ZINC000599238548 492147362 /nfs/dbraw/zinc/14/73/62/492147362.db2.gz QDFJSWFRLVFVES-UHFFFAOYSA-N 0 1 352.372 0.784 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](CCO)c2ccccc2)n1 ZINC000599242690 492147741 /nfs/dbraw/zinc/14/77/41/492147741.db2.gz GOOKDGBTLZMKCA-GFCCVEGCSA-N 0 1 354.388 0.773 10 5 FCBEMN Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000599245394 492148177 /nfs/dbraw/zinc/14/81/77/492148177.db2.gz RVANWVNFJANHDS-LLVKDONJSA-N 0 1 370.387 0.355 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000599256482 492149890 /nfs/dbraw/zinc/14/98/90/492149890.db2.gz BRPKZBGXBNOMFA-VXGBXAGGSA-N 0 1 373.435 0.250 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(c3ncccc3F)C2)n1 ZINC000599258635 492150462 /nfs/dbraw/zinc/15/04/62/492150462.db2.gz RSQNJOWAHGEOLR-SECBINFHSA-N 0 1 370.366 0.420 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCc2cnc(C3CC3)nc2)n1 ZINC000599263653 492151243 /nfs/dbraw/zinc/15/12/43/492151243.db2.gz ICMKLJOTZHQMTR-UHFFFAOYSA-N 0 1 352.376 0.517 10 5 FCBEMN CCO[C@@H]1C[C@@](O)(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1(C)C ZINC000599290741 492155778 /nfs/dbraw/zinc/15/57/78/492155778.db2.gz ZVHFBCKQGATBLZ-ZWNOBZJWSA-N 0 1 362.408 0.173 10 5 FCBEMN CO[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000599319776 492160015 /nfs/dbraw/zinc/16/00/15/492160015.db2.gz JXZAHBTWJLLNAB-LBPRGKRZSA-N 0 1 354.388 0.864 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000599320115 492160089 /nfs/dbraw/zinc/16/00/89/492160089.db2.gz BZXJSBIGNOBZSS-AAEUAGOBSA-N 0 1 367.387 0.922 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(CO)CCc3ccccc32)n1 ZINC000599337320 492162018 /nfs/dbraw/zinc/16/20/18/492162018.db2.gz YKYOATDTXQXKDZ-OAHLLOKOSA-N 0 1 366.399 0.483 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2Cc3ccccc3CO2)n1 ZINC000599370265 492165001 /nfs/dbraw/zinc/16/50/01/492165001.db2.gz PUCXZGIIMLCKMC-LBPRGKRZSA-N 0 1 352.372 0.748 10 5 FCBEMN COC(=O)[C@H](C[C@H]1CCCOC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000599455214 492175076 /nfs/dbraw/zinc/17/50/76/492175076.db2.gz BNNBHKKQGSTINM-MNOVXSKESA-N 0 1 373.387 0.626 10 5 FCBEMN COC(=O)[C@@]1(OC)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599568647 492189091 /nfs/dbraw/zinc/18/90/91/492189091.db2.gz HJKUEELKUSISEH-CZUORRHYSA-N 0 1 354.359 0.598 10 5 FCBEMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000600408949 492267609 /nfs/dbraw/zinc/26/76/09/492267609.db2.gz DUHHQLCQGYRNMJ-UHFFFAOYSA-N 0 1 351.407 0.813 10 5 FCBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000594776177 547008872 /nfs/dbraw/zinc/00/88/72/547008872.db2.gz USPXJFBFXMIONO-QWHCGFSZSA-N 0 1 371.415 0.978 10 5 FCBEMN CCc1[nH]nc(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1Cl ZINC000941007016 666572488 /nfs/dbraw/zinc/57/24/88/666572488.db2.gz AKRHHWDXUQWPSR-MWLCHTKSSA-N 0 1 369.809 0.965 10 5 FCBEMN Cc1noc(C)c1CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007730 666572660 /nfs/dbraw/zinc/57/26/60/666572660.db2.gz QHOOBPJLOVJZML-ZIAGYGMSSA-N 0 1 350.375 0.560 10 5 FCBEMN O=C(c1ccn(C(F)F)n1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012476 666573635 /nfs/dbraw/zinc/57/36/35/666573635.db2.gz DALFJVJXGPSUMA-MWLCHTKSSA-N 0 1 357.317 0.618 10 5 FCBEMN CCOC(=O)c1cnc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000839695445 667719835 /nfs/dbraw/zinc/71/98/35/667719835.db2.gz BXOVDPVWZBGIOC-NXEZZACHSA-N 0 1 354.388 0.634 10 5 FCBEMN Cc1nc(CN2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000768883225 668103831 /nfs/dbraw/zinc/10/38/31/668103831.db2.gz YIJAWPHUPNMPCQ-UHFFFAOYSA-N 0 1 372.432 0.589 10 5 FCBEMN NCC(F)(F)Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000844918359 670955458 /nfs/dbraw/zinc/95/54/58/670955458.db2.gz ULIDITQMQNPSDD-UHFFFAOYSA-N 0 1 355.301 0.973 10 5 FCBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000849383101 671332758 /nfs/dbraw/zinc/33/27/58/671332758.db2.gz BTVXOGGTZCETQW-JTQLQIEISA-N 0 1 359.360 0.190 10 5 FCBEMN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])O2 ZINC000855878113 671667218 /nfs/dbraw/zinc/66/72/18/671667218.db2.gz XGYFOJBGRVAWCE-IJLUTSLNSA-N 0 1 355.391 0.936 10 5 FCBEMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000859007908 671788884 /nfs/dbraw/zinc/78/88/84/671788884.db2.gz FPLQPCPGEWBZGQ-PRHODGIISA-N 0 1 358.351 0.868 10 5 FCBEMN CCn1ncc(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000859253005 671804573 /nfs/dbraw/zinc/80/45/73/671804573.db2.gz XJJSAQGCQXTTDT-UHFFFAOYSA-N 0 1 369.359 0.456 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnnn1-c1ccccc1 ZINC001266391122 1168369752 /nfs/dbraw/zinc/36/97/52/1168369752.db2.gz ZWYJFBBCGCIIGU-HZPDHXFCSA-N 0 1 358.402 0.871 10 5 FCBEMN O=C(Cc1cncs1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001746233912 1192355726 /nfs/dbraw/zinc/35/57/26/1192355726.db2.gz FHDGKFCTMGBHDE-VXGBXAGGSA-N 0 1 352.416 0.896 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccc(-n2ccnc2)c1 ZINC001299160279 1171332175 /nfs/dbraw/zinc/33/21/75/1171332175.db2.gz LVWWSZNQFXATJK-HUUCEWRRSA-N 0 1 369.381 0.916 10 5 FCBEMN CN(CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)Cn1cccn1 ZINC001746777153 1178899591 /nfs/dbraw/zinc/89/95/91/1178899591.db2.gz GUOFZGPFPUPOOS-HUUCEWRRSA-N 0 1 363.418 0.635 10 5 FCBEMN CCN(CCNC(=O)c1cccc2nsnc21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001745370146 1182303646 /nfs/dbraw/zinc/30/36/46/1182303646.db2.gz TWBOVXRAYJBVBU-ZYHUDNBSSA-N 0 1 363.399 0.935 10 5 FCBEMN CS(=O)(=O)c1ccc(CN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)o1 ZINC001481168972 1182508224 /nfs/dbraw/zinc/50/82/24/1182508224.db2.gz JUEDBIWFJPUJRB-CHWSQXEVSA-N 0 1 371.415 0.429 10 5 FCBEMN CN(CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)c1ccsn1 ZINC001745703410 1187484138 /nfs/dbraw/zinc/48/41/38/1187484138.db2.gz FPCLCILQBZFFHT-DGCLKSJQSA-N 0 1 367.431 0.025 10 5 FCBEMN O=C(COCCc1cccc(F)c1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001745855801 1188401551 /nfs/dbraw/zinc/40/15/51/1188401551.db2.gz KARHRYDDWGGHIH-HUUCEWRRSA-N 0 1 365.361 0.377 10 5 FCBEMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CCC2)C1 ZINC000912924459 1196384596 /nfs/dbraw/zinc/38/45/96/1196384596.db2.gz WDFABGJNLAIVMU-ZDUSSCGKSA-N 0 1 360.370 0.627 10 5 FCBEMN Cc1nnsc1C(=O)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001488444430 1208525078 /nfs/dbraw/zinc/52/50/78/1208525078.db2.gz QEYGEJDMJRVPGO-GHMZBOCLSA-N 0 1 355.420 0.821 10 5 FCBEMN C/C(=C\C(=O)N(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001490153781 1209265781 /nfs/dbraw/zinc/26/57/81/1209265781.db2.gz VAFWXNPQGHXCFC-CJDUSVOKSA-N 0 1 365.430 0.820 10 5 FCBEMN O=C(NC1(CCO)CN(CCOC2CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001276050470 1211339861 /nfs/dbraw/zinc/33/98/61/1211339861.db2.gz CRXISAZUARDBBO-HZPDHXFCSA-N 0 1 369.462 0.944 10 5 FCBEMN Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)n[nH]1 ZINC000801903232 1218176565 /nfs/dbraw/zinc/17/65/65/1218176565.db2.gz RMUQBQOPHBRYHF-UHFFFAOYSA-N 0 1 363.353 0.701 10 5 FCBEMN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000781967027 1221118490 /nfs/dbraw/zinc/11/84/90/1221118490.db2.gz GCCQWTXZAXDRGD-SNVBAGLBSA-N 0 1 370.272 0.923 10 5 FCBEMN CN(Cc1ccccc1)C(=O)CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001277593704 1226136222 /nfs/dbraw/zinc/13/62/22/1226136222.db2.gz LFKZXQAPESMMQZ-HZPDHXFCSA-N 0 1 360.414 0.453 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)n1 ZINC001143355056 1222879261 /nfs/dbraw/zinc/87/92/61/1222879261.db2.gz LUULKXAZOGLZAE-AWEZNQCLSA-N 0 1 356.346 0.573 10 5 FCBEMN Cc1cccc2nc(C(=O)N3CCCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)cn21 ZINC000941007042 1246427093 /nfs/dbraw/zinc/42/70/93/1246427093.db2.gz BGUCBFYJHAKLOG-UKRRQHHQSA-N 0 1 371.397 0.982 10 5 FCBEMN COc1cnc(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(F)c1 ZINC000941007747 1246428144 /nfs/dbraw/zinc/42/81/44/1246428144.db2.gz RHGTVTHYVCFFAW-DGCLKSJQSA-N 0 1 366.349 0.569 10 5 FCBEMN O=C(c1ccnn1CC(F)F)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012990 1246430832 /nfs/dbraw/zinc/43/08/32/1246430832.db2.gz VYOZFFURHZHNKT-ZYHUDNBSSA-N 0 1 371.344 0.488 10 5 FCBEMN Cc1cc[nH]c1C(=O)N1CCC(N(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001521281580 1266108184 /nfs/dbraw/zinc/10/81/84/1266108184.db2.gz ASEYFXYEGIZAKN-ZIAGYGMSSA-N 0 1 364.402 0.414 10 5 FCBEMN O=C(NCCN1CCC(O)CC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001246195988 1259650554 /nfs/dbraw/zinc/65/05/54/1259650554.db2.gz LEODURWBOYFHEY-UHFFFAOYSA-N 0 1 362.390 0.727 10 5 FCBEMN CN(CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(F)ccc1F ZINC001336592469 1260180253 /nfs/dbraw/zinc/18/02/53/1260180253.db2.gz LNDBGTYZSNFTNJ-TZMCWYRMSA-N 0 1 371.340 0.835 10 5 FCBEMN CN(CC(C)(C)CNC(=O)c1cnn(CCF)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280386889 1261061256 /nfs/dbraw/zinc/06/12/56/1261061256.db2.gz UBYIDUGZWHIIKE-CHWSQXEVSA-N 0 1 369.397 0.732 10 5 FCBEMN O=C(NC1(CO)CCN(Cc2coc(C3CC3)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001281810247 1261206284 /nfs/dbraw/zinc/20/62/84/1261206284.db2.gz RFGOFWXJXCSZJD-ZIAGYGMSSA-N 0 1 364.402 0.660 10 5 FCBEMN CCc1ncc(CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC001472019101 1261426149 /nfs/dbraw/zinc/42/61/49/1261426149.db2.gz SVRIZJGADKQPBF-UHFFFAOYSA-N 0 1 361.358 0.935 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc2c([nH]c1=O)CCCC2 ZINC001283246790 1261673457 /nfs/dbraw/zinc/67/34/57/1261673457.db2.gz OPQKFKOXBBVUGQ-BXUZGUMPSA-N 0 1 362.386 0.567 10 5 FCBEMN O=C(CCCCc1cn[nH]n1)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283425790 1261685105 /nfs/dbraw/zinc/68/51/05/1261685105.db2.gz XBDJZGXDOHMIOD-ZIAGYGMSSA-N 0 1 364.406 0.290 10 5 FCBEMN COc1ccc(C(=O)NCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)nn1 ZINC001283808547 1261707515 /nfs/dbraw/zinc/70/75/15/1261707515.db2.gz BQENYILUEQJVKF-DGCLKSJQSA-N 0 1 363.374 0.261 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc2cccnc2n1 ZINC001284612192 1261770015 /nfs/dbraw/zinc/77/00/15/1261770015.db2.gz WRLMBAIYIJNJEW-TZMCWYRMSA-N 0 1 357.370 0.873 10 5 FCBEMN CCCN(CCNC(=O)c1ccc2cccnn21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284707001 1261779189 /nfs/dbraw/zinc/77/91/89/1261779189.db2.gz OLWHPRFVVKMUND-UKRRQHHQSA-N 0 1 359.386 0.968 10 5 FCBEMN COc1cccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001285124084 1261813114 /nfs/dbraw/zinc/81/31/14/1261813114.db2.gz ODRNIUAXJYDWOA-DGCLKSJQSA-N 0 1 362.386 0.914 10 5 FCBEMN CCc1c[nH]c(CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001285502113 1261849089 /nfs/dbraw/zinc/84/90/89/1261849089.db2.gz LPRVPJWPYSGLFY-CHWSQXEVSA-N 0 1 365.434 0.781 10 5 FCBEMN COc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc(OC)n1 ZINC001285924059 1261887389 /nfs/dbraw/zinc/88/73/89/1261887389.db2.gz SZKLWMDSFPZVEZ-GHMZBOCLSA-N 0 1 364.358 0.143 10 5 FCBEMN Cc1nc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c2ccccn12 ZINC001285943475 1261892486 /nfs/dbraw/zinc/89/24/86/1261892486.db2.gz WUZSUJCFAHIANX-DGCLKSJQSA-N 0 1 357.370 0.687 10 5 FCBEMN Cc1nn(C)cc1CC(=O)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001288172297 1262009690 /nfs/dbraw/zinc/00/96/90/1262009690.db2.gz VCVCBVCCSBHFKE-HUUCEWRRSA-N 0 1 365.434 0.632 10 5 FCBEMN Cc1coc(C(=O)N(CCO)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001290761143 1262505464 /nfs/dbraw/zinc/50/54/64/1262505464.db2.gz NPFFNVSVRXGADH-ZIAGYGMSSA-N 0 1 365.386 0.679 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnn(-c2ccccc2)n1 ZINC001293307098 1262714608 /nfs/dbraw/zinc/71/46/08/1262714608.db2.gz KYGNYZVJGPAXMJ-TZMCWYRMSA-N 0 1 358.358 0.169 10 5 FCBEMN CCCN(CCNC(=O)c1cnc2nccn2c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296519432 1262815717 /nfs/dbraw/zinc/81/57/17/1262815717.db2.gz YNOMWNJRPBDLKO-CHWSQXEVSA-N 0 1 360.374 0.363 10 5 FCBEMN CC(C)c1cc(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)n(C)n1 ZINC001296574679 1262821079 /nfs/dbraw/zinc/82/10/79/1262821079.db2.gz NEDVILPFSLUKEX-TZMCWYRMSA-N 0 1 363.418 0.930 10 5 FCBEMN CCNC(=O)CCC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001296887171 1262841708 /nfs/dbraw/zinc/84/17/08/1262841708.db2.gz KBOCUBJIHJEMAK-ZIAGYGMSSA-N 0 1 368.434 0.265 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc2c1CCOC2 ZINC001298069622 1262908225 /nfs/dbraw/zinc/90/82/25/1262908225.db2.gz HYHJFTDRZHRMLI-HZPDHXFCSA-N 0 1 361.398 0.955 10 5 FCBEMN Cc1nc2c(cccc2C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001298396940 1262924720 /nfs/dbraw/zinc/92/47/20/1262924720.db2.gz MFWFCTPCPGEZOE-BTBCPRSTSA-N 0 1 357.370 0.939 10 5 FCBEMN O=C(CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1ccccc1F ZINC001318118757 1263544773 /nfs/dbraw/zinc/54/47/73/1263544773.db2.gz AWGWFTQPEIONGD-UKRRQHHQSA-N 0 1 364.377 0.155 10 5 FCBEMN Cc1cc(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nc(C)n1 ZINC001486762417 1263551274 /nfs/dbraw/zinc/55/12/74/1263551274.db2.gz XSWMAGQWHCFMJU-TZMCWYRMSA-N 0 1 363.418 0.973 10 5 FCBEMN CC(C)c1nocc1C(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001487035617 1263575336 /nfs/dbraw/zinc/57/53/36/1263575336.db2.gz QQHNCIXPLSNVOR-ZYHUDNBSSA-N 0 1 366.374 0.156 10 5 FCBEMN O=C(Cn1cc2ccccc2n1)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001487421646 1263603456 /nfs/dbraw/zinc/60/34/56/1263603456.db2.gz SKJOUIPTLXNAFY-XKVFNRALSA-N 0 1 371.397 0.713 10 5 FCBEMN COCC1(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCOCC1 ZINC001487430633 1263605056 /nfs/dbraw/zinc/60/50/56/1263605056.db2.gz 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CC(C)N(CCCNC(=O)C1(F)CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497657373 1263945421 /nfs/dbraw/zinc/94/54/21/1263945421.db2.gz UFCNZIMWHNVYIX-CHWSQXEVSA-N 0 1 359.398 0.914 10 5 FCBEMN O=C(NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001499772903 1264045039 /nfs/dbraw/zinc/04/50/39/1264045039.db2.gz SWVWWRWVAGXQKB-QMIVOQANSA-N 0 1 351.403 0.289 10 5 FCBEMN Cn1cc(CC(=O)NCc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)cn1 ZINC001499869344 1264049128 /nfs/dbraw/zinc/04/91/28/1264049128.db2.gz JIINJDFJMUCKGF-HZPDHXFCSA-N 0 1 371.397 0.560 10 5 FCBEMN Cn1nc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C(F)F ZINC001501852948 1264145435 /nfs/dbraw/zinc/14/54/35/1264145435.db2.gz WZOPJOZGAQMNIZ-QTIBKXMGSA-N 0 1 357.317 0.425 10 5 FCBEMN Cc1cn2ccc(C(=O)NC/C=C/CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2n1 ZINC001501852506 1264145498 /nfs/dbraw/zinc/14/54/98/1264145498.db2.gz RKOXYZRDNFGTNJ-GWSUEFFPSA-N 0 1 357.370 0.710 10 5 FCBEMN Cc1nc2sccn2c1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] 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ZINC001721554341 1288351048 /nfs/dbraw/zinc/35/10/48/1288351048.db2.gz NLRRYQSGURMZBJ-CHWSQXEVSA-N 0 1 362.386 0.811 10 5 FCBEMN CCn1ncc(Cl)c1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721852280 1288385955 /nfs/dbraw/zinc/38/59/55/1288385955.db2.gz ODIWBQNKYYVUEP-QKXNICGJSA-N 0 1 355.782 0.624 10 5 FCBEMN CN(C)c1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001721853772 1288385962 /nfs/dbraw/zinc/38/59/62/1288385962.db2.gz HEYXMLIVFBFUAX-SQLJOLKNSA-N 0 1 364.377 0.959 10 5 FCBEMN COCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001722118602 1288407181 /nfs/dbraw/zinc/40/71/81/1288407181.db2.gz SPEJESYIPMWZKV-XJFOESAGSA-N 0 1 353.419 0.916 10 5 FCBEMN Cc1cc(C)c(C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001734820950 1288681438 /nfs/dbraw/zinc/68/14/38/1288681438.db2.gz HFXSXEJGUIXCNT-VXGBXAGGSA-N 0 1 351.359 0.255 10 5 FCBEMN Cc1ccccc1CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001734821402 1288681534 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WACVGCONKQYVIJ-GHMZBOCLSA-N 0 1 352.395 0.178 10 5 FCBEMN CCc1cc(C(=O)NCCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC001738209339 1289643772 /nfs/dbraw/zinc/64/37/72/1289643772.db2.gz XUNULARMOSAENP-UKRRQHHQSA-N 0 1 363.418 0.996 10 5 FCBEMN COCC1(C(=O)N2CCC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)CC1 ZINC001738227583 1289646693 /nfs/dbraw/zinc/64/66/93/1289646693.db2.gz DSYIOBDGZVDEAC-ZIAGYGMSSA-N 0 1 365.430 0.919 10 5 FCBEMN Cc1noc(C)c1CCC(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738504802 1289691884 /nfs/dbraw/zinc/69/18/84/1289691884.db2.gz OUTOOBGWBCUCQB-JHZNUDOXSA-N 0 1 350.375 0.678 10 5 FCBEMN Cn1nc2ccccc2c1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738506222 1289692564 /nfs/dbraw/zinc/69/25/64/1289692564.db2.gz ZTFMNFGGGYPYND-BSWNYTGASA-N 0 1 357.370 0.641 10 5 FCBEMN CCn1ncc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C1CC1 ZINC001738505503 1289692763 /nfs/dbraw/zinc/69/27/63/1289692763.db2.gz SWIMDNLZQSGEAG-VPOWOMEUSA-N 0 1 361.402 0.848 10 5 FCBEMN 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ASKZDIQNDNSTOX-CHWSQXEVSA-N 0 1 362.386 0.866 10 5 FCBEMN C[C@@H](C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC001134416270 849179550 /nfs/dbraw/zinc/17/95/50/849179550.db2.gz SYTRBAJNCCHOID-NSHDSACASA-N 0 1 370.431 0.718 10 5 FCBEMN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)CN2CCCC2)cc1[N+](=O)[O-] ZINC001141654310 849403911 /nfs/dbraw/zinc/40/39/11/849403911.db2.gz QCOOCDIOOGEGBQ-LBPRGKRZSA-N 0 1 352.347 0.998 10 5 FCBEMN COC(=O)CN(C)C(=O)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323088 850761893 /nfs/dbraw/zinc/76/18/93/850761893.db2.gz HPAIGQADCDVLKC-MRXNPFEDSA-N 0 1 353.375 0.413 10 5 FCBEMN COC(=O)C1([C@]2(O)CCCN(CCn3ccc([N+](=O)[O-])n3)C2)CCC1 ZINC001176485927 850790025 /nfs/dbraw/zinc/79/00/25/850790025.db2.gz PZQHSRUXBLCTLL-INIZCTEOSA-N 0 1 352.391 0.962 10 5 FCBEMN CN(C)C[C@]1(O)CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001186855615 851477834 /nfs/dbraw/zinc/47/78/34/851477834.db2.gz ZAZOMKYBGJBZIJ-OAHLLOKOSA-N 0 1 357.432 0.891 10 5 FCBEMN 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BWRFYKZMOGLWSG-ZIAGYGMSSA-N 0 1 366.443 0.216 10 5 FCBEMN O=C(CCc1cncs1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001720887851 1288272018 /nfs/dbraw/zinc/27/20/18/1288272018.db2.gz ICYQJJLUDHRWBY-DIACKHNESA-N 0 1 350.400 0.314 10 5 FCBEMN CCN(CCNC(=O)CCc1c(C)noc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721147553 1288300121 /nfs/dbraw/zinc/30/01/21/1288300121.db2.gz SSXAHNJJJVAQMI-ZIAGYGMSSA-N 0 1 352.391 0.854 10 5 FCBEMN CCN(CCNC(=O)c1c[nH]nc1-c1ccco1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721150558 1288302312 /nfs/dbraw/zinc/30/23/12/1288302312.db2.gz DWKCKSAODQWVBP-ZYHUDNBSSA-N 0 1 361.358 0.913 10 5 FCBEMN CCCN(CCNC(=O)Cc1cnn(C)c1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721210947 1288311522 /nfs/dbraw/zinc/31/15/22/1288311522.db2.gz ASXBHKIXZVQLNU-ZIAGYGMSSA-N 0 1 351.407 0.291 10 5 FCBEMN Cc1c(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)c(Cl)nn1C ZINC001721230498 1288315298 /nfs/dbraw/zinc/31/52/98/1288315298.db2.gz IXJHZTMPCKALJR-GHMZBOCLSA-N 0 1 369.809 0.768 10 5 FCBEMN 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AWBKPIMXLMXKMM-CHWSQXEVSA-N 0 1 353.448 0.432 10 5 FCBEMN COc1nscc1CN1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001731364651 1288553205 /nfs/dbraw/zinc/55/32/05/1288553205.db2.gz CQAYWJVBXNKDFQ-CHWSQXEVSA-N 0 1 369.447 0.051 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NCc1ccccc1F ZINC001731770644 1288564002 /nfs/dbraw/zinc/56/40/02/1288564002.db2.gz ZJVQQRNJFDEMAP-TZMCWYRMSA-N 0 1 352.366 0.155 10 5 FCBEMN O=C(NCCN(Cc1nnc2n1CCCCC2)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001731875310 1288568818 /nfs/dbraw/zinc/56/88/18/1288568818.db2.gz LHENPBQZWFKJGD-ZIAGYGMSSA-N 0 1 362.434 0.750 10 5 FCBEMN COCc1noc(CN2CCC(C)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001733449446 1288611070 /nfs/dbraw/zinc/61/10/70/1288611070.db2.gz QLYVERVFRNZREU-VXGBXAGGSA-N 0 1 367.406 0.600 10 5 FCBEMN CCn1cc(CN2CCC(C)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001733449025 1288611329 /nfs/dbraw/zinc/61/13/29/1288611329.db2.gz FMNCDIQJAHLXGN-ZIAGYGMSSA-N 0 1 350.423 0.682 10 5 FCBEMN O=C(NC1(CCO)CN(Cc2ccc3c(c2)COC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001734070397 1288639808 /nfs/dbraw/zinc/63/98/08/1288639808.db2.gz HEMYYDWDYPCBHE-HZPDHXFCSA-N 0 1 361.398 0.435 10 5 FCBEMN Cc1ncc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)n1C ZINC001734842886 1288688933 /nfs/dbraw/zinc/68/89/33/1288688933.db2.gz UAKZPPVQVXVEAG-CHWSQXEVSA-N 0 1 363.418 0.943 10 5 FCBEMN CC(C)N(CCN(C)C(=O)c1cccc(=O)n1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001735439427 1288743154 /nfs/dbraw/zinc/74/31/54/1288743154.db2.gz YYLLNWDNPKQYHJ-TZMCWYRMSA-N 0 1 364.402 0.360 10 5 FCBEMN COCCN(CCNC(=O)c1cnccc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001735470939 1288750668 /nfs/dbraw/zinc/75/06/68/1288750668.db2.gz ULCUDUWAVPJZQC-TZMCWYRMSA-N 0 1 350.375 0.260 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ocnc1C(F)(F)F ZINC001736928522 1289496611 /nfs/dbraw/zinc/49/66/11/1289496611.db2.gz RHYWWZTYVYJYEN-RNFRBKRXSA-N 0 1 350.253 0.595 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC001736928487 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AWLKFFLCTNUYNE-GAGVYUBLSA-N 0 1 359.382 0.694 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc2nccnc21 ZINC001737797979 1289587250 /nfs/dbraw/zinc/58/72/50/1289587250.db2.gz OCGNVZMKRFBSQN-TZMCWYRMSA-N 0 1 357.370 0.873 10 5 FCBEMN O=C(NC1(CCO)CN(Cc2cccc(F)c2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001700490662 1289596463 /nfs/dbraw/zinc/59/64/63/1289596463.db2.gz GHSZUCGAHLXHNC-DGCLKSJQSA-N 0 1 355.341 0.683 10 5 FCBEMN O=C(NC1(CCO)CN(CCCc2ccsc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001700490946 1289596699 /nfs/dbraw/zinc/59/66/99/1289596699.db2.gz QALDFRRDTVONAJ-ZIAGYGMSSA-N 0 1 353.444 0.899 10 5 FCBEMN CCCN(CCNC(=O)c1cnn(C)c1C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737863498 1289601435 /nfs/dbraw/zinc/60/14/35/1289601435.db2.gz NGZRNZJEVUFYML-TZMCWYRMSA-N 0 1 363.418 0.931 10 5 FCBEMN CN(CC(C)(C)CNC(=O)CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001701153677 1289633281 /nfs/dbraw/zinc/63/32/81/1289633281.db2.gz AZORPMCJXNLNNA-CHWSQXEVSA-N 0 1 351.407 0.539 10 5 FCBEMN 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1 354.794 0.992 10 5 FCBEMN O=C(NC1CN(CCOCC(F)(F)C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001714971837 1287341351 /nfs/dbraw/zinc/34/13/51/1287341351.db2.gz SNKRTHIRZQLBHH-RKDXNWHRSA-N 0 1 361.267 0.666 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cn2c(n1)CCCC2 ZINC001581082035 1279344052 /nfs/dbraw/zinc/34/40/52/1279344052.db2.gz BZARZVPVEWKGPW-ZIAGYGMSSA-N 0 1 363.418 0.392 10 5 FCBEMN CCN(CCNC(=O)CNC(=O)c1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581192666 1279495792 /nfs/dbraw/zinc/49/57/92/1279495792.db2.gz AUDFLBUMASTYHX-ZIAGYGMSSA-N 0 1 362.386 0.046 10 5 FCBEMN CCN(CCNCc1nc(CC(F)(F)F)no1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715731299 1287360389 /nfs/dbraw/zinc/36/03/89/1287360389.db2.gz MKFBWKAIJZGJKY-RKDXNWHRSA-N 0 1 365.312 0.778 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(N(C)C)cn1 ZINC001581372656 1279785295 /nfs/dbraw/zinc/78/52/95/1279785295.db2.gz BJVCCPCNINAPLS-UKRRQHHQSA-N 0 1 363.418 0.781 10 5 FCBEMN 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ZINC001585396373 1282224996 /nfs/dbraw/zinc/22/49/96/1282224996.db2.gz KBGPNDSSDZSNRD-HZPDHXFCSA-N 0 1 360.414 0.847 10 5 FCBEMN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001639068231 1282744136 /nfs/dbraw/zinc/74/41/36/1282744136.db2.gz HQNRTPCEPKWWIF-XJKSGUPXSA-N 0 1 364.450 0.940 10 5 FCBEMN Cc1nonc1CC(=O)N(C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001680942969 1283464569 /nfs/dbraw/zinc/46/45/69/1283464569.db2.gz QMQWWVCYMBHKBD-DGCLKSJQSA-N 0 1 353.379 0.281 10 5 FCBEMN COCCC(C)(C)C(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001681419480 1283494132 /nfs/dbraw/zinc/49/41/32/1283494132.db2.gz DIYZNGWRQBWZTD-ZIAGYGMSSA-N 0 1 353.419 0.989 10 5 FCBEMN COCC1(C(=O)N2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001681855758 1283511440 /nfs/dbraw/zinc/51/14/40/1283511440.db2.gz LYFVBBNCZCRMKH-ZIAGYGMSSA-N 0 1 351.403 0.743 10 5 FCBEMN O=C(Cc1cncnc1)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001681851146 1283511602 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UTIBSSABCAANSZ-LDYMZIIASA-N 0 1 359.333 0.981 10 5 FCBEMN CCn1nc(C)cc1C(=O)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001703753017 1286135661 /nfs/dbraw/zinc/13/56/61/1286135661.db2.gz JCMMQSFPGJALKR-ZIAGYGMSSA-N 0 1 363.418 0.988 10 5 FCBEMN Cc1cc(C)c(C(=O)NCCN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001703778406 1286140442 /nfs/dbraw/zinc/14/04/42/1286140442.db2.gz HXNOFHADXIWBLL-ZIAGYGMSSA-N 0 1 364.402 0.436 10 5 FCBEMN O=C(NCCN1CCN(C(=O)C23CCC(CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001703783245 1286143680 /nfs/dbraw/zinc/14/36/80/1286143680.db2.gz ORUKYZWUCCNJAT-NWPKHEMWSA-N 0 1 364.446 0.492 10 5 FCBEMN CCc1n[nH]c(=O)c(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1CC ZINC001704203353 1286194139 /nfs/dbraw/zinc/19/41/39/1286194139.db2.gz QLLHTQBKQMQDQY-ZYHUDNBSSA-N 0 1 365.390 0.160 10 5 FCBEMN Cc1ccc(F)c(OCC(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001704209387 1286196568 /nfs/dbraw/zinc/19/65/68/1286196568.db2.gz PDCATLIQKFGVBZ-DGCLKSJQSA-N 0 1 353.350 0.753 10 5 FCBEMN 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/nfs/dbraw/zinc/48/93/76/1288489376.db2.gz NXYLNEQCDRBHQZ-CHWSQXEVSA-N 0 1 355.435 0.948 10 5 FCBEMN COCC(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001726195118 1288499073 /nfs/dbraw/zinc/49/90/73/1288499073.db2.gz JTYKZFPQAZGEDG-CHWSQXEVSA-N 0 1 353.419 0.775 10 5 FCBEMN CN(CC1CCCCC1)C(=O)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001732098833 1288574111 /nfs/dbraw/zinc/57/41/11/1288574111.db2.gz XQMCVGKOETWURG-HUUCEWRRSA-N 0 1 352.435 0.491 10 5 FCBEMN O=C(NC1(CO)CCN(Cc2ncc(C3CC3)o2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001733912954 1288634928 /nfs/dbraw/zinc/63/49/28/1288634928.db2.gz FBNVOWYIPKPBPC-CHWSQXEVSA-N 0 1 364.402 0.660 10 5 FCBEMN COc1nc(C(=O)N(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)co1 ZINC001735439312 1288743335 /nfs/dbraw/zinc/74/33/35/1288743335.db2.gz VBHXIRWOFQFUAA-ZYHUDNBSSA-N 0 1 354.363 0.657 10 5 FCBEMN CCOCC(=O)NCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001735533309 1288757291 /nfs/dbraw/zinc/75/72/91/1288757291.db2.gz WYHQXFAIKLJZLS-TZMCWYRMSA-N 0 1 353.350 0.760 10 5 FCBEMN CCN(CCCNC(=O)c1cn(C)ccc1=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737275837 1289524460 /nfs/dbraw/zinc/52/44/60/1289524460.db2.gz VSMZTYSXOLSPGX-DGCLKSJQSA-N 0 1 350.375 0.019 10 5 FCBEMN Cc1cc(=O)c(C(=O)N(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)c[nH]1 ZINC001737309252 1289526860 /nfs/dbraw/zinc/52/68/60/1289526860.db2.gz JWAQNQVEZZKBEK-TZMCWYRMSA-N 0 1 362.386 0.459 10 5 FCBEMN O=C(Cc1ccoc1)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001737329860 1289530885 /nfs/dbraw/zinc/53/08/85/1289530885.db2.gz DZAARQPCKWJZGM-HUUCEWRRSA-N 0 1 364.402 0.138 10 5 FCBEMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001737369593 1289537414 /nfs/dbraw/zinc/53/74/14/1289537414.db2.gz LPCHZTFDUOLOJW-TZMCWYRMSA-N 0 1 364.406 0.324 10 5 FCBEMN O=C(CCCC1CCOCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737529651 1289557912 /nfs/dbraw/zinc/55/79/12/1289557912.db2.gz YGBCTLLNPJVCEC-GAGVYUBLSA-N 0 1 365.430 0.822 10 5 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ZINC001738503457 1289691636 /nfs/dbraw/zinc/69/16/36/1289691636.db2.gz CCFCHQHPSSAPNE-XPDWMRMNSA-N 0 1 357.317 0.425 10 5 FCBEMN O=C(Cc1cccc(F)c1F)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738503454 1289692784 /nfs/dbraw/zinc/69/27/84/1289692784.db2.gz CAZCJUFUTCKRLW-BUQROOPJSA-N 0 1 353.325 0.961 10 5 FCBEMN CC(C)N(CCN(C)C(=O)CCn1cncn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001701866491 1289710245 /nfs/dbraw/zinc/71/02/45/1289710245.db2.gz YUMJELAJGWBVLA-CHWSQXEVSA-N 0 1 352.395 0.029 10 5 FCBEMN O=[N+]([O-])c1cc(CO)c(NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1F ZINC001613072276 1289710689 /nfs/dbraw/zinc/71/06/89/1289710689.db2.gz BMRQIRBNVYTNFG-BLLLJJGKSA-N 0 1 355.366 0.864 10 5 FCBEMN Cc1cn(C)nc1C(=O)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001702055078 1289724274 /nfs/dbraw/zinc/72/42/74/1289724274.db2.gz BTIULUUHRLEPAS-ZIAGYGMSSA-N 0 1 361.402 0.672 10 5 FCBEMN CN(C)CC(=O)N1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001624751344 1290292976 /nfs/dbraw/zinc/29/29/76/1290292976.db2.gz 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CCC1(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCOCC1 ZINC001487420926 1263602900 /nfs/dbraw/zinc/60/29/00/1263602900.db2.gz HMMBHAIZPICZQI-AAVRWANBSA-N 0 1 353.419 0.869 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N(C)c1nccs1 ZINC001492950269 1263686535 /nfs/dbraw/zinc/68/65/35/1263686535.db2.gz MJWAXCHEACRGEY-GHMZBOCLSA-N 0 1 355.420 0.209 10 5 FCBEMN Cc1ccoc1C(=O)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001493125183 1263700719 /nfs/dbraw/zinc/70/07/19/1263700719.db2.gz JMOIPTMULOVSOY-ZIAGYGMSSA-N 0 1 364.402 0.517 10 5 FCBEMN CC(C(=O)N1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)=C1CCC1 ZINC001493133165 1263702680 /nfs/dbraw/zinc/70/26/80/1263702680.db2.gz MAVNGAUCISAFPI-HZPDHXFCSA-N 0 1 364.446 0.803 10 5 FCBEMN O=C(NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001493134495 1263703754 /nfs/dbraw/zinc/70/37/54/1263703754.db2.gz UPEOJGYILOFFQI-HUUCEWRRSA-N 0 1 350.419 0.412 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NCc1ccccc1F ZINC001319999810 1263753271 /nfs/dbraw/zinc/75/32/71/1263753271.db2.gz LSEIFKFUCMPLNC-UKRRQHHQSA-N 0 1 366.393 0.497 10 5 FCBEMN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1CN1CCC(O)CC1 ZINC001320057789 1263760370 /nfs/dbraw/zinc/76/03/70/1263760370.db2.gz FZVOEIAAAGINEF-UHFFFAOYSA-N 0 1 360.374 0.782 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(NC(C)=O)CCCCC1 ZINC001496740025 1263890077 /nfs/dbraw/zinc/89/00/77/1263890077.db2.gz UDYIKSDTXGQVJK-ZIAGYGMSSA-N 0 1 368.434 0.455 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)COc1ccccc1F ZINC001496739661 1263890644 /nfs/dbraw/zinc/89/06/44/1263890644.db2.gz MNKHCRJCDUVYTJ-DGCLKSJQSA-N 0 1 353.350 0.834 10 5 FCBEMN O=C(NC/C=C/CNCc1ncnn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001321056311 1263901448 /nfs/dbraw/zinc/90/14/48/1263901448.db2.gz DPVCAZJCSOWGCQ-DPOFCPOHSA-N 0 1 356.386 0.695 10 5 FCBEMN CCCN(CCNC(=O)c1ccnc(C2CC2)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497348940 1263927104 /nfs/dbraw/zinc/92/71/04/1263927104.db2.gz AZIWYHXWAMQSRO-TZMCWYRMSA-N 0 1 361.402 0.988 10 5 FCBEMN CC(=O)NC(C)(C)C(=O)NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001497664642 1263944805 /nfs/dbraw/zinc/94/48/05/1263944805.db2.gz AWEPAAQJUUTJGL-CHWSQXEVSA-N 0 1 356.423 0.310 10 5 FCBEMN O=C(Cc1ccc2c(c1)CCC2)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001498543950 1263976534 /nfs/dbraw/zinc/97/65/34/1263976534.db2.gz GPJWHYPOAPBXRV-IAGOWNOFSA-N 0 1 357.410 0.958 10 5 FCBEMN Cc1nc(C)n(CCCC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001501146681 1264104222 /nfs/dbraw/zinc/10/42/22/1264104222.db2.gz RVAJRAVCSRFGNC-ZIAGYGMSSA-N 0 1 366.422 0.257 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)cn1 ZINC001501852097 1264145567 /nfs/dbraw/zinc/14/55/67/1264145567.db2.gz MXRILRINFVECDA-RCELQXLSSA-N 0 1 369.381 0.940 10 5 FCBEMN Cc1ccc(F)c(OCC(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001501851041 1264145795 /nfs/dbraw/zinc/14/57/95/1264145795.db2.gz GCFRPNCNRHQKJZ-SDEBIZQBSA-N 0 1 365.361 0.967 10 5 FCBEMN O=C(NC1(CO)CCN(Cc2noc(C3CC3)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001505376847 1264269990 /nfs/dbraw/zinc/26/99/90/1264269990.db2.gz PJWVRACQYGOPDK-VXGBXAGGSA-N 0 1 365.390 0.055 10 5 FCBEMN CCc1noc(CC)c1CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506048926 1264286501 /nfs/dbraw/zinc/28/65/01/1264286501.db2.gz HELXBZSTMDHKFR-DGCLKSJQSA-N 0 1 364.402 0.772 10 5 FCBEMN Cc1c(Cl)c(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC001506048988 1264286742 /nfs/dbraw/zinc/28/67/42/1264286742.db2.gz JOJXWFSSVCXUQG-RKDXNWHRSA-N 0 1 355.782 0.426 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1conc1C(F)(F)F ZINC001506049147 1264287249 /nfs/dbraw/zinc/28/72/49/1264287249.db2.gz PQAKRWTYANPZJH-HTRCEHHLSA-N 0 1 362.264 0.737 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1n[nH]c(C2CC2)c1Cl ZINC001506049046 1264287446 /nfs/dbraw/zinc/28/74/46/1264287446.db2.gz LLAVTVNDIKIUEP-RKDXNWHRSA-N 0 1 367.793 0.984 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1[nH]nc(C2CC2)c1Cl ZINC001506049046 1264287454 /nfs/dbraw/zinc/28/74/54/1264287454.db2.gz LLAVTVNDIKIUEP-RKDXNWHRSA-N 0 1 367.793 0.984 10 5 FCBEMN CCn1nccc1C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001508658951 1264416632 /nfs/dbraw/zinc/41/66/32/1264416632.db2.gz GNMIINFPCZHCEP-DGCLKSJQSA-N 0 1 351.407 0.783 10 5 FCBEMN CCc1ncsc1C(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001509172000 1264441519 /nfs/dbraw/zinc/44/15/19/1264441519.db2.gz BCKZMYRWEPQKIK-MWLCHTKSSA-N 0 1 368.415 0.064 10 5 FCBEMN Cc1ccc(C(=O)NC2(CCO)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C ZINC001509205880 1264446028 /nfs/dbraw/zinc/44/60/28/1264446028.db2.gz NRPUZFRCUXXDHR-HUUCEWRRSA-N 0 1 361.398 0.662 10 5 FCBEMN O=C(COc1ccccc1F)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001509853840 1264469038 /nfs/dbraw/zinc/46/90/38/1264469038.db2.gz AVUIUUONEZECMI-HKUMRIAESA-N 0 1 365.361 0.881 10 5 FCBEMN O=C(Cn1ccc(C(F)F)n1)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001509854779 1264469901 /nfs/dbraw/zinc/46/99/01/1264469901.db2.gz KHKPHESALNVACW-DNRKLUKYSA-N 0 1 371.344 0.497 10 5 FCBEMN CN(CCOCCNC(=O)c1ccncc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001510185513 1264485195 /nfs/dbraw/zinc/48/51/95/1264485195.db2.gz AUTZGSIQVKUZIW-DGCLKSJQSA-N 0 1 354.338 0.091 10 5 FCBEMN Cc1cc(OCC(=O)N(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)no1 ZINC001511714526 1264579449 /nfs/dbraw/zinc/57/94/49/1264579449.db2.gz VWNBRKZUWSXSML-CHWSQXEVSA-N 0 1 368.390 0.722 10 5 FCBEMN COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncccc1Cl ZINC001511850615 1264594500 /nfs/dbraw/zinc/59/45/00/1264594500.db2.gz IIPBBGAVWFMGSQ-ZYHUDNBSSA-N 0 1 370.793 0.605 10 5 FCBEMN COCCN(CCNC(=O)c1nc(C)oc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001511870173 1264598409 /nfs/dbraw/zinc/59/84/09/1264598409.db2.gz NXZPUFQODSDCJD-VXGBXAGGSA-N 0 1 354.363 0.161 10 5 FCBEMN O=C(NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1n[nH]cc1F ZINC001512567170 1264631626 /nfs/dbraw/zinc/63/16/26/1264631626.db2.gz VYNVPYMAVBKSHU-ZYHUDNBSSA-N 0 1 351.338 0.493 10 5 FCBEMN Cc1nn(C)c(F)c1C(=O)NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001512618625 1264635633 /nfs/dbraw/zinc/63/56/33/1264635633.db2.gz YHWUNBQKEIQTSC-GHMZBOCLSA-N 0 1 367.381 0.549 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CNC(=O)CC(C)(C)C ZINC001523406615 1266626224 /nfs/dbraw/zinc/62/62/24/1266626224.db2.gz UDVGXSCEUFQRFU-VXGBXAGGSA-N 0 1 356.423 0.169 10 5 FCBEMN CN(CCCNC(=O)c1ccc2c(n1)OCCO2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001523637517 1266648765 /nfs/dbraw/zinc/64/87/65/1266648765.db2.gz NPBTUKTZUISGHT-ZYHUDNBSSA-N 0 1 364.358 0.096 10 5 FCBEMN Cn1c(Cl)ncc1C(=O)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001523998277 1266673459 /nfs/dbraw/zinc/67/34/59/1266673459.db2.gz JEBILQXEQGHOSI-GHMZBOCLSA-N 0 1 369.809 0.850 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1c(C)nn(CC)c1C ZINC001528844596 1267000212 /nfs/dbraw/zinc/00/02/12/1267000212.db2.gz DYZOUFIVJWFFJC-HUUCEWRRSA-N 0 1 365.434 0.692 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc2n(n1)CCCC2 ZINC001529544984 1267065498 /nfs/dbraw/zinc/06/54/98/1267065498.db2.gz BOBINDXSOYOSOG-UKRRQHHQSA-N 0 1 363.418 0.853 10 5 FCBEMN CCCN(CCNC(=O)C(C)(C)n1cnc(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529606404 1267067207 /nfs/dbraw/zinc/06/72/07/1267067207.db2.gz UYHOCDSAJHFHQS-ZIAGYGMSSA-N 0 1 365.434 0.947 10 5 FCBEMN CCCN(CCNC(=O)c1cnc2[nH]cnc2c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529587229 1267067475 /nfs/dbraw/zinc/06/74/75/1267067475.db2.gz DVOCOGZORFPXGK-DGCLKSJQSA-N 0 1 360.374 0.592 10 5 FCBEMN CCCN(CCNC(=O)c1cn(C(C)(C)C)nn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529601008 1267067639 /nfs/dbraw/zinc/06/76/39/1267067639.db2.gz PHCMVYRNIQRHEK-DGCLKSJQSA-N 0 1 366.422 0.667 10 5 FCBEMN CCCN(CCNC(=O)c1ccnc(N(C)C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529664763 1267070961 /nfs/dbraw/zinc/07/09/61/1267070961.db2.gz PBVIHSKJDLMZOL-ZIAGYGMSSA-N 0 1 363.418 0.781 10 5 FCBEMN O=C(NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1cc2n(n1)CCCO2 ZINC001529817398 1267080439 /nfs/dbraw/zinc/08/04/39/1267080439.db2.gz QJOQWVPEGFPOPK-DGCLKSJQSA-N 0 1 363.374 0.052 10 5 FCBEMN C/C(=C/C(=O)N(C)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001530104476 1267095532 /nfs/dbraw/zinc/09/55/32/1267095532.db2.gz YCFNCTWOKPSBFG-VEJWNLPXSA-N 0 1 364.446 0.611 10 5 FCBEMN O=C(NC1(CCO)CN(C(=O)C2=CCCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001334612274 1267107011 /nfs/dbraw/zinc/10/70/11/1267107011.db2.gz KYYFVBYGYXCPER-ZIAGYGMSSA-N 0 1 351.403 0.622 10 5 FCBEMN COc1ccc(CCC(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1F ZINC001530536069 1267110070 /nfs/dbraw/zinc/11/00/70/1267110070.db2.gz AZXKRHRKXZUAGT-TZMCWYRMSA-N 0 1 365.361 0.759 10 5 FCBEMN Cc1nn(C)c(C)c1CCC(=O)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001530839554 1267116648 /nfs/dbraw/zinc/11/66/48/1267116648.db2.gz GLQPOFKJHQPNES-HUUCEWRRSA-N 0 1 363.418 0.209 10 5 FCBEMN CCn1ccc(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001531582472 1267140932 /nfs/dbraw/zinc/14/09/32/1267140932.db2.gz PJIFIKPIJWLGOH-ZIAGYGMSSA-N 0 1 363.418 0.656 10 5 FCBEMN O=C(Cc1ncc[nH]1)NCc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001531924142 1267154467 /nfs/dbraw/zinc/15/44/67/1267154467.db2.gz FLHOVHWXCIIPDW-ZIAGYGMSSA-N 0 1 357.370 0.550 10 5 FCBEMN Cc1nn(C)c(C)c1CCC(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001533492647 1267220659 /nfs/dbraw/zinc/22/06/59/1267220659.db2.gz KBQHDKKKFNGMEN-DPOFCPOHSA-N 0 1 363.418 0.423 10 5 FCBEMN O=C(NCC=CCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1[nH]cnc1C(F)(F)F ZINC001533494341 1267221519 /nfs/dbraw/zinc/22/15/19/1267221519.db2.gz SAKDYTVMOIDKQS-XLNBVVSQSA-N 0 1 361.280 0.496 10 5 FCBEMN Cc1nc(C)n(CCCC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001535254474 1267285932 /nfs/dbraw/zinc/28/59/32/1267285932.db2.gz BQKILHGHESWNRZ-CHWSQXEVSA-N 0 1 364.406 0.105 10 5 FCBEMN COc1nc(C(=O)N2CCC(C)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 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CC(C)N(CCCNC(=O)c1ncccc1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581594009 1280194033 /nfs/dbraw/zinc/19/40/33/1280194033.db2.gz DOQMNRXSAFYINS-VXGBXAGGSA-N 0 1 350.375 0.809 10 5 FCBEMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn(C)ccc1=O ZINC001581602201 1280213599 /nfs/dbraw/zinc/21/35/99/1280213599.db2.gz ADMLRNZVIXEEFP-TZMCWYRMSA-N 0 1 364.402 0.407 10 5 FCBEMN O=C(NC1(CO)CCN(Cc2ccc(Cl)nc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717350911 1287419479 /nfs/dbraw/zinc/41/94/79/1287419479.db2.gz WMJJZBBRHBKEGL-CHWSQXEVSA-N 0 1 368.821 0.843 10 5 FCBEMN CC(C)(C)CNC(=O)CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001717628198 1287431266 /nfs/dbraw/zinc/43/12/66/1287431266.db2.gz NKPYOVHTFARPDK-ZIAGYGMSSA-N 0 1 366.462 0.738 10 5 FCBEMN Cc1cn(C)nc1C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718124742 1287460914 /nfs/dbraw/zinc/46/09/14/1287460914.db2.gz ZENAKDXJUIFBTO-VXGBXAGGSA-N 0 1 351.407 0.608 10 5 FCBEMN CCCCCc1cc(C(=O)NCC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 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DVONLVHANWKDSU-ZIAGYGMSSA-N 0 1 351.407 0.323 10 5 FCBEMN O=C(COCC1CCCC1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001718931894 1287595221 /nfs/dbraw/zinc/59/52/21/1287595221.db2.gz JYIGFWIUEAITBL-HUUCEWRRSA-N 0 1 365.430 0.919 10 5 FCBEMN Cc1cc(C(=O)NCCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cnn1 ZINC001718976286 1287603464 /nfs/dbraw/zinc/60/34/64/1287603464.db2.gz TWNCUTWJUSYUHK-HUUCEWRRSA-N 0 1 359.386 0.729 10 5 FCBEMN COCC1(CNC(=O)c2cocn2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718988444 1287606043 /nfs/dbraw/zinc/60/60/43/1287606043.db2.gz XRXHYRKYACFMHA-DGCLKSJQSA-N 0 1 366.374 0.325 10 5 FCBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC001642855792 1283046556 /nfs/dbraw/zinc/04/65/56/1283046556.db2.gz DOSOYMRAPIXLCG-GDBMZVCRSA-N 0 1 371.397 0.206 10 5 FCBEMN CC(C)N(CCN(C)C(=O)COc1cccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001680942755 1283464769 /nfs/dbraw/zinc/46/47/69/1283464769.db2.gz KMKVAJWGYQBSIO-HUUCEWRRSA-N 0 1 364.402 0.821 10 5 FCBEMN 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BSMZWWUHVNNWLV-ONKIFHLLSA-N 0 1 354.388 0.357 10 5 FCBEMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC001705036574 1286338207 /nfs/dbraw/zinc/33/82/07/1286338207.db2.gz VOAYZBJJLVDCQU-YMBFEGSUSA-N 0 1 369.381 0.940 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc2c([nH]c1=O)CCC2 ZINC001705260651 1286363448 /nfs/dbraw/zinc/36/34/48/1286363448.db2.gz AOKWVGSHUBSAPX-ZWNOBZJWSA-N 0 1 360.370 0.320 10 5 FCBEMN Cc1ccnc(C(=O)NCC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001705442237 1286394941 /nfs/dbraw/zinc/39/49/41/1286394941.db2.gz KMHPXXFOZQWTOJ-CHWSQXEVSA-N 0 1 361.402 0.809 10 5 FCBEMN CN(CCNC(=O)CCCNC(=O)C(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721108774 1288295378 /nfs/dbraw/zinc/29/53/78/1288295378.db2.gz GKOIRFMWFNHIOZ-VXGBXAGGSA-N 0 1 356.423 0.169 10 5 FCBEMN CCCN(CCNC(=O)c1cnn(C)c1Cl)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721211964 1288312405 /nfs/dbraw/zinc/31/24/05/1288312405.db2.gz AEGUQLWOHKQPOU-MWLCHTKSSA-N 0 1 357.798 0.707 10 5 FCBEMN 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ZINC001532968665 1267192214 /nfs/dbraw/zinc/19/22/14/1267192214.db2.gz BTEZIGOYYWDNSN-ZIAGYGMSSA-N 0 1 362.386 0.516 10 5 FCBEMN O=C(CCc1nc2ccccc2[nH]1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001535254994 1267286484 /nfs/dbraw/zinc/28/64/84/1267286484.db2.gz QHWJVSRJEWJXHF-BXUZGUMPSA-N 0 1 371.397 0.926 10 5 FCBEMN O=C(Cc1c[nH]c2ncccc12)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001535254767 1267286721 /nfs/dbraw/zinc/28/67/21/1267286721.db2.gz LCVNTHDJMKVHGU-CHWSQXEVSA-N 0 1 357.370 0.536 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccn(CC(F)F)n1 ZINC001535543265 1267299071 /nfs/dbraw/zinc/29/90/71/1267299071.db2.gz ITCMZIQPKNQWQQ-PSASIEDQSA-N 0 1 357.317 0.192 10 5 FCBEMN COc1cc(CCNC(=O)[C@]2(C)C[C@@H](O)CN2C)c([N+](=O)[O-])cc1OC ZINC001540521246 1267450274 /nfs/dbraw/zinc/45/02/74/1267450274.db2.gz WJBGSQYLLQVSCG-PXAZEXFGSA-N 0 1 367.402 0.726 10 5 FCBEMN C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001544139347 1267570741 /nfs/dbraw/zinc/57/07/41/1267570741.db2.gz MLYMSYXZSCPXFX-MLGOLLRUSA-N 0 1 373.417 0.540 10 5 FCBEMN Cc1c(C(=O)N2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnn1C ZINC001340364996 1268522682 /nfs/dbraw/zinc/52/26/82/1268522682.db2.gz VNUHTMQPGRYZMM-CHWSQXEVSA-N 0 1 362.390 0.067 10 5 FCBEMN COc1cc(C(=O)NCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC001340528701 1268578110 /nfs/dbraw/zinc/57/81/10/1268578110.db2.gz SAEKZFOLHXJXQV-NXEZZACHSA-N 0 1 368.415 0.833 10 5 FCBEMN O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001557296295 1268940675 /nfs/dbraw/zinc/94/06/75/1268940675.db2.gz KPQLTUAJHFZKEF-QWHCGFSZSA-N 0 1 358.358 0.067 10 5 FCBEMN COc1cc(Cl)ccc1CN1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001569773257 1269805151 /nfs/dbraw/zinc/80/51/51/1269805151.db2.gz RFPLLESSDVXHNP-CHWSQXEVSA-N 0 1 369.805 0.677 10 5 FCBEMN CCc1ccsc1C(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001571885833 1269973518 /nfs/dbraw/zinc/97/35/18/1269973518.db2.gz SBONZKYLKRSDEZ-VXGBXAGGSA-N 0 1 367.427 0.669 10 5 FCBEMN O=C(NC1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001571905380 1269979430 /nfs/dbraw/zinc/97/94/30/1269979430.db2.gz GEDSDGMPHBHFHO-RGDJUOJXSA-N 0 1 351.403 0.479 10 5 FCBEMN Cc1cc(C(=O)N(C)CCOCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ns1 ZINC001572178472 1270002692 /nfs/dbraw/zinc/00/26/92/1270002692.db2.gz MMFGLDYEYWHGDM-ZYHUDNBSSA-N 0 1 356.404 0.322 10 5 FCBEMN Cc1ncn(C)c1C(=O)N(C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001572507999 1270084115 /nfs/dbraw/zinc/08/41/15/1270084115.db2.gz VKVFEJGBJMUTSI-CHWSQXEVSA-N 0 1 351.407 0.703 10 5 FCBEMN COc1nn(C)cc1C(=O)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001572512266 1270085537 /nfs/dbraw/zinc/08/55/37/1270085537.db2.gz SELHZRPKJMRBOM-DGCLKSJQSA-N 0 1 367.406 0.403 10 5 FCBEMN O=C(Cc1ncc[nH]1)NC1(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001572570517 1270097379 /nfs/dbraw/zinc/09/73/79/1270097379.db2.gz HHNZHEVOICUXSG-CHWSQXEVSA-N 0 1 361.402 0.505 10 5 FCBEMN Cc1[nH]nc(C(=O)NCCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC001572694133 1270108395 /nfs/dbraw/zinc/10/83/95/1270108395.db2.gz LGZKCQVUGOOKIV-ZIAGYGMSSA-N 0 1 361.402 0.970 10 5 FCBEMN Cc1nnc(CC(=O)N2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001572697285 1270108781 /nfs/dbraw/zinc/10/87/81/1270108781.db2.gz CBZMDJXKJHQOIK-CHWSQXEVSA-N 0 1 363.374 0.251 10 5 FCBEMN CCn1ncc(C(=O)NCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC001572715314 1270111906 /nfs/dbraw/zinc/11/19/06/1270111906.db2.gz WCGOSAYELJGLFQ-TZMCWYRMSA-N 0 1 363.418 0.893 10 5 FCBEMN O=C(COc1cccc(F)c1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001344209185 1270112413 /nfs/dbraw/zinc/11/24/13/1270112413.db2.gz DNPOIFNTXITDKQ-DZGBDDFRSA-N 0 1 365.361 0.881 10 5 FCBEMN O=C(CCc1cscn1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001573141041 1270615805 /nfs/dbraw/zinc/61/58/05/1270615805.db2.gz PIEHJXFAKNJSMJ-GWNIPJSYSA-N 0 1 352.416 0.752 10 5 FCBEMN CC/C(C)=C/C(=O)N(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001573649088 1270849204 /nfs/dbraw/zinc/84/92/04/1270849204.db2.gz FVJRLBZWCYYOPO-CFXNXBPSSA-N 0 1 353.419 0.820 10 5 FCBEMN COc1ccc(OCC(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001580759490 1278885631 /nfs/dbraw/zinc/88/56/31/1278885631.db2.gz AVBNSKIMXWDDJB-ZIAGYGMSSA-N 0 1 365.386 0.622 10 5 FCBEMN CCOc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OC ZINC001580759943 1278885984 /nfs/dbraw/zinc/88/59/84/1278885984.db2.gz LQYMCZIOBBZGLC-CHWSQXEVSA-N 0 1 365.386 0.947 10 5 FCBEMN COc1cc(C(=O)NCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)on1 ZINC001577732153 1274805818 /nfs/dbraw/zinc/80/58/18/1274805818.db2.gz RAFJURLFZOZWKU-GHMZBOCLSA-N 0 1 352.347 0.459 10 5 FCBEMN O=C(NCCN1CCN(C(=O)c2cccc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001577856531 1275013779 /nfs/dbraw/zinc/01/37/79/1275013779.db2.gz QQEVKJVQBLSOJK-HUUCEWRRSA-N 0 1 364.377 0.365 10 5 FCBEMN CN(CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21)c1ccccc1 ZINC001579168093 1276921213 /nfs/dbraw/zinc/92/12/13/1276921213.db2.gz QOMDMHKUSKZQSI-GAGVYUBLSA-N 0 1 358.398 0.361 10 5 FCBEMN O=C(NCCN1CCN(Cc2ccnc(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001713074125 1287264155 /nfs/dbraw/zinc/26/41/55/1287264155.db2.gz KKWZPRAFNWLHBT-ZIAGYGMSSA-N 0 1 367.837 0.634 10 5 FCBEMN O=C(CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCCCc1ccccc1 ZINC001713822089 1287301247 /nfs/dbraw/zinc/30/12/47/1287301247.db2.gz YPHSDICPOFZKSS-HZPDHXFCSA-N 0 1 360.414 0.201 10 5 FCBEMN CN(CCNC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580844674 1279029950 /nfs/dbraw/zinc/02/99/50/1279029950.db2.gz TZZXCOBFIJVVQP-TZMCWYRMSA-N 0 1 358.354 0.794 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncnn1-c1ccccc1 ZINC001714585968 1287327085 /nfs/dbraw/zinc/32/70/85/1287327085.db2.gz WWBSDIUFHKZIOC-HUUCEWRRSA-N 0 1 358.402 0.871 10 5 FCBEMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnc2n1CCCC2 ZINC001714822613 1287334684 /nfs/dbraw/zinc/33/46/84/1287334684.db2.gz UQLVPMODNNTLAN-ZIAGYGMSSA-N 0 1 364.450 0.996 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnc2[nH]c(C)nc21 ZINC001581082246 1279341871 /nfs/dbraw/zinc/34/18/71/1279341871.db2.gz GBLHORXHKJFFMY-VXGBXAGGSA-N 0 1 360.374 0.510 10 5 FCBEMN CCCN(CCNC(=O)c1cn(CC)nc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581375101 1279792011 /nfs/dbraw/zinc/79/20/11/1279792011.db2.gz HTQCAPOYBZFRCD-TZMCWYRMSA-N 0 1 351.407 0.845 10 5 FCBEMN CCC(CC)n1ccc(CN2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001716936315 1287398263 /nfs/dbraw/zinc/39/82/63/1287398263.db2.gz KAWBOOXLDAPVMK-HUUCEWRRSA-N 0 1 365.434 0.572 10 5 FCBEMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnn(C)c1N ZINC001581602876 1280213447 /nfs/dbraw/zinc/21/34/47/1280213447.db2.gz YDMKDPGRXIENCY-ZYHUDNBSSA-N 0 1 352.395 0.024 10 5 FCBEMN CCNC(=O)CCC(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718453875 1287502975 /nfs/dbraw/zinc/50/29/75/1287502975.db2.gz UGGPZSOZVFZDSD-CHWSQXEVSA-N 0 1 354.407 0.017 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1[nH]nc2c1CCCC2 ZINC001582946232 1282055014 /nfs/dbraw/zinc/05/50/14/1282055014.db2.gz ADOPBUMZNCENQH-IUODEOHRSA-N 0 1 363.418 0.413 10 5 FCBEMN Cc1ccn2ncc(C(=O)N(C)CCN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])c2n1 ZINC001582946423 1282055473 /nfs/dbraw/zinc/05/54/73/1282055473.db2.gz IYBUKUCROGKKOA-DGCLKSJQSA-N 0 1 360.374 0.233 10 5 FCBEMN COc1cc(CCC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001582946530 1282055912 /nfs/dbraw/zinc/05/59/12/1282055912.db2.gz NOFKIPYKWARKGL-VXGBXAGGSA-N 0 1 354.363 0.198 10 5 FCBEMN CCCn1nc(C)c(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC001584953539 1282184487 /nfs/dbraw/zinc/18/44/87/1282184487.db2.gz BNEKFMSTNALBST-CHWSQXEVSA-N 0 1 363.418 0.954 10 5 FCBEMN CC(C)Oc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC001584954325 1282185629 /nfs/dbraw/zinc/18/56/29/1282185629.db2.gz QCNFVMZXPBDPHN-CHWSQXEVSA-N 0 1 362.386 0.913 10 5 FCBEMN Cc1nc2c(cccc2C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 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WNSHSCLKQAFHHW-ZIAGYGMSSA-N 0 1 364.402 0.568 10 5 FCBEMN O=C(CCc1ccon1)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718981199 1287604536 /nfs/dbraw/zinc/60/45/36/1287604536.db2.gz SPTJOIMVMZNIBP-HUUCEWRRSA-N 0 1 362.386 0.937 10 5 FCBEMN Cn1ccc(C(=O)NCCC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001718996490 1287606794 /nfs/dbraw/zinc/60/67/94/1287606794.db2.gz OSOVPMWAKNMVJS-CHWSQXEVSA-N 0 1 362.386 0.067 10 5 FCBEMN CCn1cc(CC(=O)N(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)nn1 ZINC001680942842 1283465432 /nfs/dbraw/zinc/46/54/32/1283465432.db2.gz MQKHHLDWOVJXSM-ZIAGYGMSSA-N 0 1 366.422 0.201 10 5 FCBEMN O=C(NCCC1=CCN(C(=O)c2n[nH]cc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001681851048 1283511586 /nfs/dbraw/zinc/51/15/86/1283511586.db2.gz WHAQZHYQXFOOFY-ZYHUDNBSSA-N 0 1 351.338 0.493 10 5 FCBEMN O=C(CC1OCCCO1)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001681938000 1283517314 /nfs/dbraw/zinc/51/73/14/1283517314.db2.gz JALRTZUUXMCUHJ-VXGBXAGGSA-N 0 1 355.391 0.207 10 5 FCBEMN 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ZINC001570491847 1269893522 /nfs/dbraw/zinc/89/35/22/1269893522.db2.gz FQMVSAAZYOISRZ-VXGBXAGGSA-N 0 1 365.390 0.055 10 5 FCBEMN Cc1ccnn1CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001571793120 1269958004 /nfs/dbraw/zinc/95/80/04/1269958004.db2.gz OJODNESAVVCGMQ-CHWSQXEVSA-N 0 1 351.407 0.458 10 5 FCBEMN CC1(C)C(C)(C)C1(C)C(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001571886456 1269972649 /nfs/dbraw/zinc/97/26/49/1269972649.db2.gz OCIWQZKJXMZIBL-VXGBXAGGSA-N 0 1 367.446 0.804 10 5 FCBEMN O=C(NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C12CCC(CC1)C2 ZINC001571886268 1269972832 /nfs/dbraw/zinc/97/28/32/1269972832.db2.gz GUJJKMIJLXORDA-LGESCRJUSA-N 0 1 351.403 0.312 10 5 FCBEMN CN(CCOCCNC(=O)C1(C(F)(F)F)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001572187430 1270006347 /nfs/dbraw/zinc/00/63/47/1270006347.db2.gz GDPHCVCHXGBHPR-NXEZZACHSA-N 0 1 367.324 0.585 10 5 FCBEMN CCn1cc(CC(=O)NCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001572605963 1270100440 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SGCMHVZJKQEGNA-HUUCEWRRSA-N 0 1 357.370 0.774 10 5 FCBEMN Cc1cnc(COCC(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001576422681 1273250400 /nfs/dbraw/zinc/25/04/00/1273250400.db2.gz JYZPYRHIMNMWJT-CHWSQXEVSA-N 0 1 366.374 0.272 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)c1cnn(C)c1 ZINC001577035727 1274098813 /nfs/dbraw/zinc/09/88/13/1274098813.db2.gz RIROGJBGYMWYSE-CHWSQXEVSA-N 0 1 351.407 0.328 10 5 FCBEMN CCn1nc(C)c(CC(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001577213221 1274254052 /nfs/dbraw/zinc/25/40/52/1274254052.db2.gz YUNDIWSGFNLYQH-HUUCEWRRSA-N 0 1 365.434 0.692 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nccn2ccnc12 ZINC001577539876 1274479714 /nfs/dbraw/zinc/47/97/14/1274479714.db2.gz ALAFCMJEVSOYPV-VXGBXAGGSA-N 0 1 360.374 0.363 10 5 FCBEMN CCN(CCCNC(=O)c1ccnc(OC)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001577613138 1274587865 /nfs/dbraw/zinc/58/78/65/1274587865.db2.gz RQFPHMTYXLXTLD-ZYHUDNBSSA-N 0 1 351.363 0.119 10 5 FCBEMN O=C(NCCN1CCN(C(=O)C(C2CC2)C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001577856570 1275013455 /nfs/dbraw/zinc/01/34/55/1275013455.db2.gz RMRHRVDJZLAILZ-HUUCEWRRSA-N 0 1 364.446 0.348 10 5 FCBEMN CCC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)CCOCC1 ZINC001579195100 1276970670 /nfs/dbraw/zinc/97/06/70/1276970670.db2.gz MDAQTQKBOXBXAC-RGDJUOJXSA-N 0 1 351.403 0.431 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnc(C2CCC2)n1C ZINC001714583825 1287327178 /nfs/dbraw/zinc/32/71/78/1287327178.db2.gz MJPHKURWINADBU-CHWSQXEVSA-N 0 1 350.423 0.686 10 5 FCBEMN CCCN(CCNC(=O)c1nn(CC)nc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581397073 1279842076 /nfs/dbraw/zinc/84/20/76/1279842076.db2.gz PXUYIXJCRSOFIC-VXGBXAGGSA-N 0 1 352.395 0.240 10 5 FCBEMN CCCN(CCNC(=O)c1cc(=O)[nH]c(CC)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581400349 1279848566 /nfs/dbraw/zinc/84/85/66/1279848566.db2.gz XPIXFEFVDYGRRW-ZIAGYGMSSA-N 0 1 364.402 0.983 10 5 FCBEMN 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CN(CC(C)(C)CNC(=O)Cc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001725938893 1288479842 /nfs/dbraw/zinc/47/98/42/1288479842.db2.gz XYSDLAGPFGSBCS-CHWSQXEVSA-N 0 1 351.407 0.229 10 5 FCBEMN Cc1ccnn1CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001725937557 1288480322 /nfs/dbraw/zinc/48/03/22/1288480322.db2.gz PIJFRJKDZLYNJB-CHWSQXEVSA-N 0 1 351.407 0.458 10 5 FCBEMN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1ccn(C)n1 ZINC001725944719 1288481771 /nfs/dbraw/zinc/48/17/71/1288481771.db2.gz ZRFNAZUJZCWONJ-ZIAGYGMSSA-N 0 1 365.434 0.619 10 5 FCBEMN CC(C)(C)C(C)(C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001726040112 1288489842 /nfs/dbraw/zinc/48/98/42/1288489842.db2.gz XGPGLPKIDMFGNN-VXGBXAGGSA-N 0 1 355.435 0.804 10 5 FCBEMN CC(C)CC(C)(C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001726040162 1288490102 /nfs/dbraw/zinc/49/01/02/1288490102.db2.gz XOGHZILYDBQQGL-CHWSQXEVSA-N 0 1 355.435 0.804 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)c1n[nH]cc1F ZINC001726060536 1288493352 /nfs/dbraw/zinc/49/33/52/1288493352.db2.gz SQFIWRMNLMLFJD-MWLCHTKSSA-N 0 1 353.354 0.763 10 5 FCBEMN O=C(CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC001732125441 1288575292 /nfs/dbraw/zinc/57/52/92/1288575292.db2.gz GJYIYQAHRVWKAH-HUUCEWRRSA-N 0 1 364.377 0.155 10 5 FCBEMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)NCCC2CCCCC2)C1 ZINC001733304936 1288607568 /nfs/dbraw/zinc/60/75/68/1288607568.db2.gz MMBUBHIHCOFVEE-HZPDHXFCSA-N 0 1 366.462 0.881 10 5 FCBEMN Cc1nn(C)cc1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001734840557 1288689068 /nfs/dbraw/zinc/68/90/68/1288689068.db2.gz IPLXMDJLDQKZFV-TZMCWYRMSA-N 0 1 363.418 0.943 10 5 FCBEMN O=C(CCc1ccc(=O)[nH]c1)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001734989966 1288697522 /nfs/dbraw/zinc/69/75/22/1288697522.db2.gz GHPPGBUWRSPEIN-AAVRWANBSA-N 0 1 362.386 0.396 10 5 FCBEMN O=C(CCn1cccn1)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001735624825 1288759835 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CWUVSNSVEIDSGT-UKRRQHHQSA-N 0 1 363.418 0.759 10 5 FCBEMN Cc1cccc(OCC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)c1 ZINC001737528615 1289556460 /nfs/dbraw/zinc/55/64/60/1289556460.db2.gz HKNSDCNPVIQUBW-GAGVYUBLSA-N 0 1 359.382 0.612 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c(C2CC2)cnn1C ZINC001737859923 1289599141 /nfs/dbraw/zinc/59/91/41/1289599141.db2.gz NBELHHSWGMCQKS-TZMCWYRMSA-N 0 1 363.418 0.931 10 5 FCBEMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc[n+]([O-])cc1 ZINC001737913397 1289610107 /nfs/dbraw/zinc/61/01/07/1289610107.db2.gz GMNWWFWEILRXRR-ZIAGYGMSSA-N 0 1 350.375 0.342 10 5 FCBEMN COc1ccc(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001701154054 1289633187 /nfs/dbraw/zinc/63/31/87/1289633187.db2.gz IGEWLNYHEOQZMW-ZYHUDNBSSA-N 0 1 365.390 0.365 10 5 FCBEMN COc1c(C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cnn1C ZINC001701158863 1289633742 /nfs/dbraw/zinc/63/37/42/1289633742.db2.gz NCPIHTJPSSSIML-ZYHUDNBSSA-N 0 1 367.406 0.308 10 5 FCBEMN O=C(CCc1ccncn1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001738171465 1289637217 /nfs/dbraw/zinc/63/72/17/1289637217.db2.gz BSLQKIOWXGTSRN-ZIAGYGMSSA-N 0 1 361.402 0.620 10 5 FCBEMN CCc1cc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)nn1C ZINC001738171505 1289637558 /nfs/dbraw/zinc/63/75/58/1289637558.db2.gz CVVNABSZQKBWPQ-TZMCWYRMSA-N 0 1 363.418 0.807 10 5 FCBEMN O=C(Cn1cnc2c1CCCC2)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001738504044 1289693160 /nfs/dbraw/zinc/69/31/60/1289693160.db2.gz JSKICTADYXTRCR-RRSPZVPKSA-N 0 1 361.402 0.216 10 5 FCBEMN CNC(=O)CCCC(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001702049903 1289723631 /nfs/dbraw/zinc/72/36/31/1289723631.db2.gz FFSCKXPAQWJUTG-ZIAGYGMSSA-N 0 1 366.418 0.233 10 5 FCBEMN COc1c(C(=O)NCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cnn1C ZINC001702070376 1289726970 /nfs/dbraw/zinc/72/69/70/1289726970.db2.gz BTISPAGLWIFWAO-ZYHUDNBSSA-N 0 1 365.390 0.110 10 5 FCBEMN Cc1cc(CC(=O)N(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)n(C)n1 ZINC001739082235 1289798620 /nfs/dbraw/zinc/79/86/20/1289798620.db2.gz YWHLRUWLYPTVSO-HUUCEWRRSA-N 0 1 365.434 0.632 10 5 FCBEMN COCCC1(NC(=O)c2cc[nH]c2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001739246456 1289826864 /nfs/dbraw/zinc/82/68/64/1289826864.db2.gz GTPGVLACCCUMAW-ZIAGYGMSSA-N 0 1 364.402 0.807 10 5 FCBEMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001617533095 1289846251 /nfs/dbraw/zinc/84/62/51/1289846251.db2.gz ZAGZEFMIHKDTSJ-UHFFFAOYSA-N 0 1 371.463 0.990 10 5 FCBEMN CN(C(=O)CCC(=O)NC1CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001739507001 1290082448 /nfs/dbraw/zinc/08/24/48/1290082448.db2.gz ATPIMGKWVZMQOP-ZIAGYGMSSA-N 0 1 366.418 0.160 10 5 FCBEMN COc1cc(CCC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001739828708 1290406143 /nfs/dbraw/zinc/40/61/43/1290406143.db2.gz CREVHGSBGSKWCJ-LYIQGSDWSA-N 0 1 366.374 0.292 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnn1CC(F)F ZINC001743455761 1290567425 /nfs/dbraw/zinc/56/74/25/1290567425.db2.gz BPZYMBYCRPUGLN-MWLCHTKSSA-N 0 1 359.333 0.392 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CNC(=O)c1ccccc1 ZINC001743456033 1290568235 /nfs/dbraw/zinc/56/82/35/1290568235.db2.gz HNFXVBXQXOONBF-ZIAGYGMSSA-N 0 1 362.386 0.046 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1c[nH]c(Br)c1 ZINC001747782869 1290589102 /nfs/dbraw/zinc/58/91/02/1290589102.db2.gz GFWVLEMMRHXFOX-RKDXNWHRSA-N 0 1 371.191 0.821 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccnc(-n2ccnc2)c1 ZINC001747782847 1290589420 /nfs/dbraw/zinc/58/94/20/1290589420.db2.gz FHAYQHFGFQSWSY-CHWSQXEVSA-N 0 1 370.369 0.311 10 5 FCBEMN COc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccc1F ZINC001747783346 1290589551 /nfs/dbraw/zinc/58/95/51/1290589551.db2.gz QMTQGRNYFLAPCE-ZYHUDNBSSA-N 0 1 351.334 0.878 10 5 FCBEMN CCCc1[nH]nc(C(=O)N2CCN(CC(F)(F)CO)CC2)c1[N+](=O)[O-] ZINC001631470818 1290733580 /nfs/dbraw/zinc/73/35/80/1290733580.db2.gz NYXYTOAKFRDORT-UHFFFAOYSA-N 0 1 361.349 0.656 10 5 FCBEMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001643703567 1290910110 /nfs/dbraw/zinc/91/01/10/1290910110.db2.gz UVQKVYDBBPBVLQ-INIZCTEOSA-N 0 1 370.373 0.812 10 5 FCBEMN Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC001643703660 1290910330 /nfs/dbraw/zinc/91/03/30/1290910330.db2.gz XPBGSVRLFFOBQA-ZDUSSCGKSA-N 0 1 356.346 0.573 10 5 FCBEMN NC(=O)Cc1cccc2c1CCN(CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001654489284 1291414458 /nfs/dbraw/zinc/41/44/58/1291414458.db2.gz LXUZUNVTKFRELW-UHFFFAOYSA-N 0 1 356.382 0.843 10 5 FCBEMN COC(=O)[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)OC ZINC001660611719 1291666097 /nfs/dbraw/zinc/66/60/97/1291666097.db2.gz IPAIMYPUAWHCPN-RYUDHWBXSA-N 0 1 352.343 0.868 10 5 FCBEMN CC(C)n1cccc1C(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001678393622 1292266649 /nfs/dbraw/zinc/26/66/49/1292266649.db2.gz VRHFDPDXDSDWCR-TZMCWYRMSA-N 0 1 364.402 0.427 10 5 FCBEMN COCCCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001679015066 1292289071 /nfs/dbraw/zinc/28/90/71/1292289071.db2.gz PVPMDBXZVKJOAR-KFZJALRRSA-N 0 1 353.419 0.775 10 5 FCBEMN Cn1nc(C(F)(F)F)cc1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001687475504 1292987668 /nfs/dbraw/zinc/98/76/68/1292987668.db2.gz GMLSLNHKSHUYAM-GHMZBOCLSA-N 0 1 361.324 0.748 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2COc3ccccc3[C@H]2O)n1 ZINC001118816967 847590406 /nfs/dbraw/zinc/59/04/06/847590406.db2.gz VFZUGFNVKUQGHV-BXKDBHETSA-N 0 1 354.344 0.101 10 5 FCBEMN NS(=O)(=O)c1ccc(C(=O)N2CC(N3CCCC3)C2)cc1[N+](=O)[O-] ZINC001166048773 850459567 /nfs/dbraw/zinc/45/95/67/850459567.db2.gz WPSMUOLNNXDTDI-UHFFFAOYSA-N 0 1 354.388 0.162 10 5 FCBEMN COc1ccc(OCCN2CC[C@@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001175955896 850778912 /nfs/dbraw/zinc/77/89/12/850778912.db2.gz QKXLUKWQZVNEFP-LBPRGKRZSA-N 0 1 373.431 0.853 10 5 FCBEMN CCC(CC)NC(=O)CN1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001265192328 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GOPUPPQOYNXAME-HUUCEWRRSA-N 0 1 364.402 0.969 10 5 FCBEMN COc1cc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc(OC)n1 ZINC001533490897 1267220026 /nfs/dbraw/zinc/22/00/26/1267220026.db2.gz DDEWOORFMZFBHV-BLDJZWNYSA-N 0 1 364.358 0.166 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cccnc1-n1cccn1 ZINC001535254610 1267286565 /nfs/dbraw/zinc/28/65/65/1267286565.db2.gz INGORIDBMGZWHP-CHWSQXEVSA-N 0 1 370.369 0.311 10 5 FCBEMN O=C(Cc1ccc(F)cc1F)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001535255151 1267287338 /nfs/dbraw/zinc/28/73/38/1267287338.db2.gz SGYSAURHJHUXMN-DGCLKSJQSA-N 0 1 353.325 0.938 10 5 FCBEMN CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001537128428 1267356634 /nfs/dbraw/zinc/35/66/34/1267356634.db2.gz DVXQOZZPXSROGO-CHWSQXEVSA-N 0 1 364.406 0.147 10 5 FCBEMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001544139214 1267571234 /nfs/dbraw/zinc/57/12/34/1267571234.db2.gz KBQQMBNASBFWAE-QMTHXVAHSA-N 0 1 351.363 0.867 10 5 FCBEMN CC(C)N(CCN(C)C(=O)Cc1cncn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001338731644 1268065905 /nfs/dbraw/zinc/06/59/05/1268065905.db2.gz WDARCNRLCGCKRK-ZIAGYGMSSA-N 0 1 351.407 0.323 10 5 FCBEMN COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc2c([nH]1)CCC2 ZINC001338979680 1268136846 /nfs/dbraw/zinc/13/68/46/1268136846.db2.gz DKDQJZFDEGLZMG-IUODEOHRSA-N 0 1 364.402 0.373 10 5 FCBEMN O=C(CCn1cccn1)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340291393 1268500182 /nfs/dbraw/zinc/50/01/82/1268500182.db2.gz ZTWBSOKAVFXBSB-HUUCEWRRSA-N 0 1 361.402 0.603 10 5 FCBEMN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001560088703 1269186899 /nfs/dbraw/zinc/18/68/99/1269186899.db2.gz PUGBNMNKVAQHMA-CMPLNLGQSA-N 0 1 365.312 0.295 10 5 FCBEMN C[C@H]1[C@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC001566989854 1269673332 /nfs/dbraw/zinc/67/33/32/1269673332.db2.gz SFXTXZPZWISSHH-RYUDHWBXSA-N 0 1 370.431 0.424 10 5 FCBEMN 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ZINC001575823430 1272483378 /nfs/dbraw/zinc/48/33/78/1272483378.db2.gz YTFPHGZBKZESHM-ZIAGYGMSSA-N 0 1 362.386 0.013 10 5 FCBEMN Cc1n[nH]c(C)c1CCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001576411206 1273242115 /nfs/dbraw/zinc/24/21/15/1273242115.db2.gz XBXVWUFSLKFINU-HUUCEWRRSA-N 0 1 363.418 0.732 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nn(C)c2ccccc21 ZINC001577034731 1274097972 /nfs/dbraw/zinc/09/79/72/1274097972.db2.gz DUNNCTTUQFGLQS-TZMCWYRMSA-N 0 1 359.386 0.817 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(-n2cccn2)nc1 ZINC001580759690 1278884543 /nfs/dbraw/zinc/88/45/43/1278884543.db2.gz GKSGWPAQZPRNPU-CHWSQXEVSA-N 0 1 358.358 0.121 10 5 FCBEMN CCN(CCCNC(=O)c1cnn2c1CCCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001577668358 1274689758 /nfs/dbraw/zinc/68/97/58/1274689758.db2.gz CHGSRQXROOLAEP-IUODEOHRSA-N 0 1 363.418 0.853 10 5 FCBEMN CC(C)N(CC(F)(F)F)C(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714532494 1287323868 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ZINC001718825213 1287586663 /nfs/dbraw/zinc/58/66/63/1287586663.db2.gz HDHSHOQAFPVDKX-DGCLKSJQSA-N 0 1 370.793 0.605 10 5 FCBEMN O=C(NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccnc(F)c1 ZINC001718991246 1287605805 /nfs/dbraw/zinc/60/58/05/1287605805.db2.gz ZOOFZXRPBPZSDE-VXGBXAGGSA-N 0 1 350.350 0.902 10 5 FCBEMN COCC1(CNC(=O)c2ncc[nH]2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718988501 1287605817 /nfs/dbraw/zinc/60/58/17/1287605817.db2.gz ZKDLNHZXGLTYPI-VXGBXAGGSA-N 0 1 365.390 0.060 10 5 FCBEMN O=C(Cn1cc(Cl)cn1)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718993563 1287606063 /nfs/dbraw/zinc/60/60/63/1287606063.db2.gz NTQGJTMFBMVWTB-VXGBXAGGSA-N 0 1 369.809 0.604 10 5 FCBEMN O=C(CCc1ccc(=O)[nH]c1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001684226044 1284147640 /nfs/dbraw/zinc/14/76/40/1284147640.db2.gz MQDOZVUOWPHNJO-XJFOESAGSA-N 0 1 362.386 0.396 10 5 FCBEMN O=C(CCc1ccc(=O)[nH]c1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001703495557 1286113380 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ZINC001281289893 1261106710 /nfs/dbraw/zinc/10/67/10/1261106710.db2.gz BDOHJRBUTANGAP-DGCLKSJQSA-N 0 1 365.390 0.459 10 5 FCBEMN COCCN(CCNC(=O)c1ccc(F)c(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001281327172 1261112166 /nfs/dbraw/zinc/11/21/66/1261112166.db2.gz OVZPXNONORBOLD-BXUZGUMPSA-N 0 1 371.340 0.835 10 5 FCBEMN CC(C)(CNC(=O)c1cnon1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001282456072 1261462726 /nfs/dbraw/zinc/46/27/26/1261462726.db2.gz YOCQUZNRMCRCFJ-DGCLKSJQSA-N 0 1 365.390 0.729 10 5 FCBEMN O=C(CCOC1CCOCC1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283409124 1261683832 /nfs/dbraw/zinc/68/38/32/1261683832.db2.gz BRPRORMXCJTHPC-HUUCEWRRSA-N 0 1 369.418 0.298 10 5 FCBEMN Cc1cn2ccnc(C(=O)N(C)CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])c2n1 ZINC001283539436 1261689186 /nfs/dbraw/zinc/68/91/86/1261689186.db2.gz QUAXYNGVLONGFI-VXGBXAGGSA-N 0 1 360.374 0.281 10 5 FCBEMN CCN(CCCNC(=O)c1cc2ncccn2n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283752626 1261702038 /nfs/dbraw/zinc/70/20/38/1261702038.db2.gz POKIUQLGUTZYOV-DGCLKSJQSA-N 0 1 360.374 0.363 10 5 FCBEMN CC(C)(C)C(C)(C)C(=O)N1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283828526 1261712071 /nfs/dbraw/zinc/71/20/71/1261712071.db2.gz OBSYVHJVHMFULX-ZIAGYGMSSA-N 0 1 368.478 0.984 10 5 FCBEMN O=C(COCCc1ccccc1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284053697 1261729156 /nfs/dbraw/zinc/72/91/56/1261729156.db2.gz HSHNXDRDURRFCY-KLHDSHLOSA-N 0 1 361.398 0.674 10 5 FCBEMN O=C(COc1ccc(F)c(F)c1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284091546 1261732085 /nfs/dbraw/zinc/73/20/85/1261732085.db2.gz CERQEZXHELFPML-SZRLZVLASA-N 0 1 369.324 0.772 10 5 FCBEMN CN(CCNC(=O)c1ccn(C2CCOCC2)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284525707 1261761149 /nfs/dbraw/zinc/76/11/49/1261761149.db2.gz PHINIGJYELUFBD-TZMCWYRMSA-N 0 1 365.390 0.088 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001284612013 1261770108 /nfs/dbraw/zinc/77/01/08/1261770108.db2.gz PCJRJKIPSCPEMX-ZYHUDNBSSA-N 0 1 362.342 0.777 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccc2c(c1)CCO2 ZINC001285367043 1261834595 /nfs/dbraw/zinc/83/45/95/1261834595.db2.gz DHYWRNKIIIASTF-HUUCEWRRSA-N 0 1 361.398 0.746 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc(-n2cccc2)nc1 ZINC001285924228 1261887373 /nfs/dbraw/zinc/88/73/73/1261887373.db2.gz VXZQOMLPQAGYFF-ZIAGYGMSSA-N 0 1 369.381 0.916 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)n1 ZINC001288338882 1262019268 /nfs/dbraw/zinc/01/92/68/1262019268.db2.gz WDMKNOMXIMPLCH-UHFFFAOYSA-N 0 1 364.406 0.274 10 5 FCBEMN CCn1nncc1C(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288708373 1262031377 /nfs/dbraw/zinc/03/13/77/1262031377.db2.gz ZWQNPHASPXJZQU-CHWSQXEVSA-N 0 1 362.390 0.242 10 5 FCBEMN CCCOCC(=O)N1CC(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001291700697 1262580622 /nfs/dbraw/zinc/58/06/22/1262580622.db2.gz JYAKQFWYCKYFJR-HUUCEWRRSA-N 0 1 369.418 0.297 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(=O)c2ccccc2o1 ZINC001293306819 1262714503 /nfs/dbraw/zinc/71/45/03/1262714503.db2.gz HYWGKHRPEXFUQT-VXGBXAGGSA-N 0 1 359.338 0.694 10 5 FCBEMN CNC(=O)c1cccc(C(=O)NCCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001294108999 1262726321 /nfs/dbraw/zinc/72/63/21/1262726321.db2.gz BNZAXHIQAXMIPU-ZIAGYGMSSA-N 0 1 362.386 0.290 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnc(N(C)C)cn1 ZINC001294448728 1262734261 /nfs/dbraw/zinc/73/42/61/1262734261.db2.gz PGPWXOAJGCPZTK-DGCLKSJQSA-N 0 1 364.406 0.176 10 5 FCBEMN CCN(CCCNC(=O)C(=O)Nc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001294486161 1262735400 /nfs/dbraw/zinc/73/54/00/1262735400.db2.gz USZTZDPMSVRVIB-ZIAGYGMSSA-N 0 1 362.386 0.645 10 5 FCBEMN CCN(CCCNC(=O)c1cn2ccccc2n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001294542501 1262735621 /nfs/dbraw/zinc/73/56/21/1262735621.db2.gz VVAPDPBKIRNAHD-TZMCWYRMSA-N 0 1 359.386 0.968 10 5 FCBEMN O=C(Cn1cccn1)NCc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001295764954 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ZJHMEEKRMAQPBS-HUUCEWRRSA-N 0 1 363.418 0.705 10 5 FCBEMN Cc1nc2ccnn2cc1C(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001298069709 1262908077 /nfs/dbraw/zinc/90/80/77/1262908077.db2.gz JZELJYLBPAERRM-DGCLKSJQSA-N 0 1 360.374 0.233 10 5 FCBEMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2ccnc2)nc1 ZINC001298396908 1262924670 /nfs/dbraw/zinc/92/46/70/1262924670.db2.gz LIKAWMBJPXRHAZ-GEYXIOIISA-N 0 1 370.369 0.335 10 5 FCBEMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(=O)ccoc2c1 ZINC001298394444 1262924695 /nfs/dbraw/zinc/92/46/95/1262924695.db2.gz PUDCZVYOVDILIY-GEYXIOIISA-N 0 1 371.349 0.860 10 5 FCBEMN COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)COC(C)C)CC1 ZINC001299281137 1262964114 /nfs/dbraw/zinc/96/41/14/1262964114.db2.gz SJAMODSGIRXNBI-HUUCEWRRSA-N 0 1 371.434 0.543 10 5 FCBEMN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001302935913 1263065014 /nfs/dbraw/zinc/06/50/14/1263065014.db2.gz DZNJUSBMNQUGPK-LLVKDONJSA-N 0 1 354.330 0.923 10 5 FCBEMN Cc1nc(CNC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC001479499272 1263225226 /nfs/dbraw/zinc/22/52/26/1263225226.db2.gz KLAWCOVYVQMYBU-UHFFFAOYSA-N 0 1 373.373 0.689 10 5 FCBEMN Cc1csc(NC(=O)CN(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001479771446 1263410440 /nfs/dbraw/zinc/41/04/40/1263410440.db2.gz YUESWCUUXWLRGD-GHMZBOCLSA-N 0 1 355.420 0.493 10 5 FCBEMN CCc1nc(C)c(CN2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001479931330 1263417057 /nfs/dbraw/zinc/41/70/57/1263417057.db2.gz WFVRDQHQKIPMQM-ZIAGYGMSSA-N 0 1 365.434 0.444 10 5 FCBEMN CCc1ccccc1C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001487032707 1263573319 /nfs/dbraw/zinc/57/33/19/1263573319.db2.gz QLCBMNBHKQOSQO-HUUCEWRRSA-N 0 1 361.398 0.607 10 5 FCBEMN CCc1occc1C(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001487030758 1263574017 /nfs/dbraw/zinc/57/40/17/1263574017.db2.gz CTIYHLCAQLJZTD-VXGBXAGGSA-N 0 1 351.359 0.200 10 5 FCBEMN Cc1cnc(COCC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001487421534 1263603364 /nfs/dbraw/zinc/60/33/64/1263603364.db2.gz QIJFNDKCWNLLKS-FDYHWXHSSA-N 0 1 366.374 0.176 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nnc2ccccc2n1 ZINC001492349254 1263649342 /nfs/dbraw/zinc/64/93/42/1263649342.db2.gz MLKIEAYHUZDUII-ZWNOBZJWSA-N 0 1 358.358 0.268 10 5 FCBEMN CC(C)(C(=O)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001493130525 1263703325 /nfs/dbraw/zinc/70/33/25/1263703325.db2.gz BSDXITPJMMOONP-HUUCEWRRSA-N 0 1 366.462 0.738 10 5 FCBEMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001493440304 1263724047 /nfs/dbraw/zinc/72/40/47/1263724047.db2.gz RHBYCIXBHCIURG-UKRRQHHQSA-N 0 1 363.418 0.929 10 5 FCBEMN O=C(CCCc1ccccn1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001494475632 1263771086 /nfs/dbraw/zinc/77/10/86/1263771086.db2.gz JSBDNIGERHHQCF-GAGVYUBLSA-N 0 1 358.398 0.643 10 5 FCBEMN COc1ccc(OC)c(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001496015760 1263849444 /nfs/dbraw/zinc/84/94/44/1263849444.db2.gz JAKCNVPGBVUTSC-DGCLKSJQSA-N 0 1 351.359 0.557 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1scc2c1OCCO2 ZINC001496013268 1263850716 /nfs/dbraw/zinc/85/07/16/1263850716.db2.gz RFBAZHHMWMEPOS-RKDXNWHRSA-N 0 1 355.372 0.373 10 5 FCBEMN CC(C)CCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001496563329 1263883124 /nfs/dbraw/zinc/88/31/24/1263883124.db2.gz CJMDGBDNEQLAMN-DGCLKSJQSA-N 0 1 352.395 0.178 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nncc2ccccc21 ZINC001496739269 1263891459 /nfs/dbraw/zinc/89/14/59/1263891459.db2.gz BQCLIYNMHPNRHX-ZIAGYGMSSA-N 0 1 357.370 0.873 10 5 FCBEMN CCCN(CCNC(=O)c1cccc2ncnn21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497284008 1263923169 /nfs/dbraw/zinc/92/31/69/1263923169.db2.gz PVXWTWNPCYBNLA-DGCLKSJQSA-N 0 1 360.374 0.363 10 5 FCBEMN O=C(NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1cnc2nccn2c1 ZINC001497486277 1263934693 /nfs/dbraw/zinc/93/46/93/1263934693.db2.gz YYAVJXQKMHZUAE-CHWSQXEVSA-N 0 1 358.358 0.115 10 5 FCBEMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)cn1 ZINC001501852096 1264145834 /nfs/dbraw/zinc/14/58/34/1264145834.db2.gz MXRILRINFVECDA-ATQQARJTSA-N 0 1 369.381 0.940 10 5 FCBEMN CC(C)c1nc(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)no1 ZINC001502623842 1264178352 /nfs/dbraw/zinc/17/83/52/1264178352.db2.gz RFAZUESFIIIDKJ-VXGBXAGGSA-N 0 1 367.406 0.613 10 5 FCBEMN O=C(NC1(CO)CCN(C/C(Cl)=C/Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001505376238 1264270696 /nfs/dbraw/zinc/27/06/96/1264270696.db2.gz IWKGTMIHTJQDEU-GOLMWGNGSA-N 0 1 352.218 0.914 10 5 FCBEMN CC(C)(C)n1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001506049094 1264286405 /nfs/dbraw/zinc/28/64/05/1264286405.db2.gz NPGVNTWJLRKKKX-MWLCHTKSSA-N 0 1 350.379 0.077 10 5 FCBEMN Cc1ccc2n[nH]cc2c1C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506048809 1264287500 /nfs/dbraw/zinc/28/75/00/1264287500.db2.gz BLMYBYWAJLODEA-ZWNOBZJWSA-N 0 1 357.370 0.915 10 5 FCBEMN 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ZINC001577067524 1274130195 /nfs/dbraw/zinc/13/01/95/1274130195.db2.gz WEKIGCQJPLTSDI-GDBMZVCRSA-N 0 1 360.414 0.679 10 5 FCBEMN CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001577602838 1274571881 /nfs/dbraw/zinc/57/18/81/1274571881.db2.gz UASKXPHCKGQYPX-CHWSQXEVSA-N 0 1 365.386 0.890 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c(C(F)(F)F)cnn1C ZINC001580760406 1278885603 /nfs/dbraw/zinc/88/56/03/1278885603.db2.gz TUYQMHAMDDURSV-VXNVDRBHSA-N 0 1 363.296 0.292 10 5 FCBEMN Cn1ncc(C(=O)N(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)c1Cl ZINC001577741276 1274818549 /nfs/dbraw/zinc/81/85/49/1274818549.db2.gz KNHAMKQOQCUYJZ-ZYHUDNBSSA-N 0 1 369.809 0.850 10 5 FCBEMN O=C(CC(F)(F)F)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001577827289 1274939412 /nfs/dbraw/zinc/93/94/12/1274939412.db2.gz RVLQJDJMGSKTQO-GHMZBOCLSA-N 0 1 366.340 0.255 10 5 FCBEMN CCCN(C(=O)Cc1ncc[nH]1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001578106318 1275409653 /nfs/dbraw/zinc/40/96/53/1275409653.db2.gz IRIOSTQJMUUVLO-ZIAGYGMSSA-N 0 1 363.418 0.847 10 5 FCBEMN CN(CCNC(=O)c1coc(Br)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580838554 1279018932 /nfs/dbraw/zinc/01/89/32/1279018932.db2.gz QKQKFLKOHAULLW-RKDXNWHRSA-N 0 1 360.164 0.896 10 5 FCBEMN O=C(CC(F)(F)C(F)F)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001579246417 1277045978 /nfs/dbraw/zinc/04/59/78/1277045978.db2.gz GFJAKDLHIRMQEI-GBMPTNJUSA-N 0 1 353.272 0.515 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)Nc1ccc(Cl)cc1 ZINC001713451147 1287279248 /nfs/dbraw/zinc/27/92/48/1287279248.db2.gz CUZHEBIAWPBUOS-CHWSQXEVSA-N 0 1 354.794 0.992 10 5 FCBEMN O=C(NCCN1CCN(Cc2cc(F)cc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001713805814 1287299864 /nfs/dbraw/zinc/29/98/64/1287299864.db2.gz QLFHZRVMRFIZTK-HZPDHXFCSA-N 0 1 368.384 0.864 10 5 FCBEMN CCc1noc(C)c1CN1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001713806007 1287299775 /nfs/dbraw/zinc/29/97/75/1287299775.db2.gz VAEZAGWDCNDXBF-CZUORRHYSA-N 0 1 365.434 0.444 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)N(C)Cc1ccccc1F ZINC001714536131 1287325300 /nfs/dbraw/zinc/32/53/00/1287325300.db2.gz OTKATOIDKMZBON-UKRRQHHQSA-N 0 1 366.393 0.497 10 5 FCBEMN CCn1nc(C(C)C)cc1C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580902669 1279105323 /nfs/dbraw/zinc/10/53/23/1279105323.db2.gz ZAMXNWBAXKHYNM-DGCLKSJQSA-N 0 1 351.407 0.880 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ocnc1C(F)(F)F ZINC001581082382 1279343455 /nfs/dbraw/zinc/34/34/55/1279343455.db2.gz LATPCHJCTOWMDY-HTQZYQBOSA-N 0 1 364.280 0.937 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnn1CC(F)F ZINC001581082263 1279343646 /nfs/dbraw/zinc/34/36/46/1279343646.db2.gz GVBASWYYFPSWMQ-MWLCHTKSSA-N 0 1 359.333 0.392 10 5 FCBEMN O=C(NC/C=C\CNCc1nnnn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001715814675 1287361232 /nfs/dbraw/zinc/36/12/32/1287361232.db2.gz MQKORNGFFGZQAD-UUSXEQNQSA-N 0 1 357.374 0.090 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(CC)nnc1C ZINC001581373058 1279784261 /nfs/dbraw/zinc/78/42/61/1279784261.db2.gz STJGMLBPVXHREF-HUUCEWRRSA-N 0 1 363.418 0.981 10 5 FCBEMN Cc1cc(C(=O)N(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)n(C)n1 ZINC001581602867 1280213527 /nfs/dbraw/zinc/21/35/27/1280213527.db2.gz XTUSSJYTPIMNJO-CHWSQXEVSA-N 0 1 351.407 0.751 10 5 FCBEMN O=C(NC1(CCO)CN(CCOc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001717504049 1287426739 /nfs/dbraw/zinc/42/67/39/1287426739.db2.gz UTOZLKVAEUMWNV-HUUCEWRRSA-N 0 1 367.377 0.423 10 5 FCBEMN CN(CC(C)(C)CNC(=O)CCn1ccnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718124346 1287460585 /nfs/dbraw/zinc/46/05/85/1287460585.db2.gz KEIIYRLPNNGTTE-CHWSQXEVSA-N 0 1 351.407 0.539 10 5 FCBEMN CCn1ccc(CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001718124585 1287460717 /nfs/dbraw/zinc/46/07/17/1287460717.db2.gz SORQKWOJMZPVAW-ZIAGYGMSSA-N 0 1 365.434 0.712 10 5 FCBEMN Cn1oc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)cc1=O ZINC001718235647 1287486620 /nfs/dbraw/zinc/48/66/20/1287486620.db2.gz WIOLWSYRLGWVNP-GHMZBOCLSA-N 0 1 366.374 0.192 10 5 FCBEMN COCC1(CC(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001718455558 1287503089 /nfs/dbraw/zinc/50/30/89/1287503089.db2.gz XDAVQDVEJHWNLV-ZIAGYGMSSA-N 0 1 353.419 0.918 10 5 FCBEMN CN(CCOCCNC(=O)C(C)(C)C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718475366 1287507650 /nfs/dbraw/zinc/50/76/50/1287507650.db2.gz SQEPLOHUPUFROA-NXEZZACHSA-N 0 1 369.340 0.831 10 5 FCBEMN CCc1n[nH]cc1C(=O)NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001582689063 1281894666 /nfs/dbraw/zinc/89/46/66/1281894666.db2.gz PVSGIKSRGXLTKM-IUODEOHRSA-N 0 1 363.418 0.996 10 5 FCBEMN CCCOCC(=O)N1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001582802820 1282027250 /nfs/dbraw/zinc/02/72/50/1282027250.db2.gz JOWFKMDKFHJNTA-ZIAGYGMSSA-N 0 1 353.419 0.919 10 5 FCBEMN CN(CCC1CCN(C(=O)c2ccnn2C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001582891894 1282047980 /nfs/dbraw/zinc/04/79/80/1282047980.db2.gz VLOOLOPZLYDHGF-UKRRQHHQSA-N 0 1 363.418 0.786 10 5 FCBEMN CCc1nc(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001582946473 1282054827 /nfs/dbraw/zinc/05/48/27/1282054827.db2.gz LFMXZFQAEZTAOJ-VXGBXAGGSA-N 0 1 354.432 0.830 10 5 FCBEMN O=C(Cc1csc2nccn12)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001584954491 1282185088 /nfs/dbraw/zinc/18/50/88/1282185088.db2.gz VXTJVBZFISENCD-GHMZBOCLSA-N 0 1 363.399 0.369 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ncnc2sccc21 ZINC001584993769 1282189471 /nfs/dbraw/zinc/18/94/71/1282189471.db2.gz QLNLNCKNVIDNCD-NXEZZACHSA-N 0 1 361.383 0.735 10 5 FCBEMN O=C(CCc1cn[nH]c1)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718977254 1287602807 /nfs/dbraw/zinc/60/28/07/1287602807.db2.gz BNKLLBISAUGTDF-HUUCEWRRSA-N 0 1 361.402 0.673 10 5 FCBEMN O=C(CN1CCCCC1=O)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001718996541 1287607199 /nfs/dbraw/zinc/60/71/99/1287607199.db2.gz QFXUNIMMFFXEPF-CHWSQXEVSA-N 0 1 366.418 0.067 10 5 FCBEMN O=C(NCCCN(C(=O)c1ccncc1F)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001703753887 1286135231 /nfs/dbraw/zinc/13/52/31/1286135231.db2.gz XFRWXKDAKDLZRW-TZMCWYRMSA-N 0 1 350.350 0.997 10 5 FCBEMN CC(C(=O)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)=C1CCC1 ZINC001703776403 1286138764 /nfs/dbraw/zinc/13/87/64/1286138764.db2.gz SKMZGEXWZOXFSH-HZPDHXFCSA-N 0 1 364.446 0.803 10 5 FCBEMN CC(C)(C(=O)N1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001703776769 1286138876 /nfs/dbraw/zinc/13/88/76/1286138876.db2.gz HPBOMNCRDZSNTI-HUUCEWRRSA-N 0 1 366.462 0.738 10 5 FCBEMN CC1(C(=O)N2CCN(CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC=CC1 ZINC001703775789 1286138917 /nfs/dbraw/zinc/13/89/17/1286138917.db2.gz HDADGCJABWMHCF-HUUCEWRRSA-N 0 1 364.446 0.658 10 5 FCBEMN CN(CCNC(=O)c1cccc(-n2cccn2)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001704251654 1286205424 /nfs/dbraw/zinc/20/54/24/1286205424.db2.gz VRGTWBZTRVPOST-DGCLKSJQSA-N 0 1 358.358 0.121 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc2nonc2c1 ZINC001704375060 1286236723 /nfs/dbraw/zinc/23/67/23/1286236723.db2.gz QUALLCPQEHVJJN-BXUZGUMPSA-N 0 1 361.358 0.856 10 5 FCBEMN O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H](Cc2nn[nH]n2)C1 ZINC001595941406 1286273721 /nfs/dbraw/zinc/27/37/21/1286273721.db2.gz MYJCCSTVRFLGEF-SNVBAGLBSA-N 0 1 374.357 0.974 10 5 FCBEMN CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC001595982123 1286278435 /nfs/dbraw/zinc/27/84/35/1286278435.db2.gz WOBBUKAPOPYSDJ-GRYCIOLGSA-N 0 1 355.391 0.491 10 5 FCBEMN Cc1nnsc1C(=O)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001704725028 1286290414 /nfs/dbraw/zinc/29/04/14/1286290414.db2.gz ZOSXJFHSSOXGNE-VXGBXAGGSA-N 0 1 367.431 0.870 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1[nH]nc2ccccc21 ZINC001704883376 1286313918 /nfs/dbraw/zinc/31/39/18/1286313918.db2.gz DQJDEJHCNUZVLJ-IUODEOHRSA-N 0 1 359.386 0.687 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCCn1ccccc1=O ZINC001704884517 1286314115 /nfs/dbraw/zinc/31/41/15/1286314115.db2.gz PRJBFBVJBCNSBG-ZIAGYGMSSA-N 0 1 364.402 0.211 10 5 FCBEMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC001705035196 1286336209 /nfs/dbraw/zinc/33/62/09/1286336209.db2.gz NPZHSPNTEFJJEA-RIVGAVQESA-N 0 1 370.369 0.335 10 5 FCBEMN Cn1cnc2cncc(C(=O)NC/C=C/CNC(=O)[C@@H]3CC3[N+](=O)[O-])c21 ZINC001705035178 1286336473 /nfs/dbraw/zinc/33/64/73/1286336473.db2.gz NJGJZUJWMLFVFO-ROPFINNVSA-N 0 1 358.358 0.036 10 5 FCBEMN CCc1[nH]nc(Cl)c1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001705034809 1286336794 /nfs/dbraw/zinc/33/67/94/1286336794.db2.gz GAWUZVKNOGDRHD-CCIFHCDCSA-N 0 1 355.782 0.693 10 5 FCBEMN Cn1ncc(C2CCC2)c1C(=O)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001705034820 1286337480 /nfs/dbraw/zinc/33/74/80/1286337480.db2.gz GITLDNZMAZJGEL-SDEBIZQBSA-N 0 1 361.402 0.755 10 5 FCBEMN O=C(Cc1ccc(F)c(F)c1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001705037005 1286337888 /nfs/dbraw/zinc/33/78/88/1286337888.db2.gz YIEVBSHYMCCGHC-LEINQQNWSA-N 0 1 353.325 0.961 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc(-n2cccn2)nc1 ZINC001705281647 1286370514 /nfs/dbraw/zinc/37/05/14/1286370514.db2.gz LUANYECGAMHKLY-CHWSQXEVSA-N 0 1 370.369 0.311 10 5 FCBEMN Cn1cc(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(-c2ccoc2)n1 ZINC001720273109 1288217516 /nfs/dbraw/zinc/21/75/16/1288217516.db2.gz LNZLJHQQRAZFBY-DGCLKSJQSA-N 0 1 361.358 0.581 10 5 FCBEMN CCN(CCCNC(=O)c1c(F)cncc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001720609286 1288243153 /nfs/dbraw/zinc/24/31/53/1288243153.db2.gz BBCNKGFZWOZPMI-BXKDBHETSA-N 0 1 356.329 0.993 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCn1c(C)csc1=O ZINC001721143530 1288299126 /nfs/dbraw/zinc/29/91/26/1288299126.db2.gz JAYNYPNDYATWHN-VXGBXAGGSA-N 0 1 370.431 0.238 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc2c(cn1)OCCC2 ZINC001721143705 1288299503 /nfs/dbraw/zinc/29/95/03/1288299503.db2.gz LOZCIURAAIQYJJ-TZMCWYRMSA-N 0 1 362.386 0.650 10 5 FCBEMN CCN(CCNC(=O)c1[nH]cnc1C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721154149 1288301719 /nfs/dbraw/zinc/30/17/19/1288301719.db2.gz UJHNOXNSXOLVBW-HTQZYQBOSA-N 0 1 363.296 0.672 10 5 FCBEMN O=C(NCCN(C(=O)c1ccn(CC(F)F)n1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001721230366 1288314897 /nfs/dbraw/zinc/31/48/97/1288314897.db2.gz DFXWLRAUMPDYRW-ZYHUDNBSSA-N 0 1 371.344 0.534 10 5 FCBEMN Cc1ccnn1CC(=O)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001721553771 1288350965 /nfs/dbraw/zinc/35/09/65/1288350965.db2.gz SABSFLQZUFKNQY-HUUCEWRRSA-N 0 1 363.418 0.602 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cc(C2CC2)no1 ZINC001721705702 1288369201 /nfs/dbraw/zinc/36/92/01/1288369201.db2.gz IOUPTPBRAJBIDE-TZMCWYRMSA-N 0 1 350.375 0.677 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC001721855505 1288385946 /nfs/dbraw/zinc/38/59/46/1288385946.db2.gz SFNKSZHWDOPETE-LHBIUNCVSA-N 0 1 370.369 0.335 10 5 FCBEMN COc1cc(CC(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC001721853630 1288386665 /nfs/dbraw/zinc/38/66/65/1288386665.db2.gz GQJJRIGJNMHCNA-LRPXVYOUSA-N 0 1 361.398 1.000 10 5 FCBEMN COc1cc(CC(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC001721853629 1288386753 /nfs/dbraw/zinc/38/67/53/1288386753.db2.gz GQJJRIGJNMHCNA-LPUOJRKPSA-N 0 1 361.398 1.000 10 5 FCBEMN Cn1cnc2cc(C(=O)NCC3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)ccc21 ZINC001722080665 1288401087 /nfs/dbraw/zinc/40/10/87/1288401087.db2.gz BJDQGTHACJUWSF-BXUZGUMPSA-N 0 1 357.370 0.617 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1scc2c1OCCO2 ZINC001722098678 1288403901 /nfs/dbraw/zinc/40/39/01/1288403901.db2.gz XOHPLPKNHLGQEZ-RKDXNWHRSA-N 0 1 367.383 0.563 10 5 FCBEMN Cc1ccc(F)c(OCC(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001722138484 1288406865 /nfs/dbraw/zinc/40/68/65/1288406865.db2.gz FGPKDEPBFJSOBZ-TZMCWYRMSA-N 0 1 365.361 0.847 10 5 FCBEMN COCC1(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCCC1 ZINC001722142809 1288407712 /nfs/dbraw/zinc/40/77/12/1288407712.db2.gz LEADKJFAKVVIOS-ZIAGYGMSSA-N 0 1 353.419 0.918 10 5 FCBEMN Cc1ccc(CNC(=O)CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001723760494 1288428259 /nfs/dbraw/zinc/42/82/59/1288428259.db2.gz HNLKYSAIOWVCMV-ZIAGYGMSSA-N 0 1 366.443 0.481 10 5 FCBEMN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc(=O)[nH]1 ZINC001725934088 1288479533 /nfs/dbraw/zinc/47/95/33/1288479533.db2.gz YYYRUPPJNWEPFE-ZYHUDNBSSA-N 0 1 350.375 0.667 10 5 FCBEMN COc1ncccc1C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001725935290 1288480102 /nfs/dbraw/zinc/48/01/02/1288480102.db2.gz CDPYXKCBTRXQCK-CHWSQXEVSA-N 0 1 364.402 0.970 10 5 FCBEMN Cc1ccc(CNC(=O)CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001731770567 1288563422 /nfs/dbraw/zinc/56/34/22/1288563422.db2.gz XHTJGRAECMVHJG-UKRRQHHQSA-N 0 1 366.393 0.464 10 5 FCBEMN Cc1ccc(CN(C)C(=O)CN2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001732097177 1288574315 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Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 ZINC000599351264 492163515 /nfs/dbraw/zinc/16/35/15/492163515.db2.gz WPNYZFBPQXCLNP-VIFPVBQESA-N 0 1 359.408 0.254 10 5 FCBEMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000599605123 492193201 /nfs/dbraw/zinc/19/32/01/492193201.db2.gz SLAQSGSESHGSME-UHFFFAOYSA-N 0 1 362.390 0.770 10 5 FCBEMN O=C(NC[C@H]1CN2CCN1CCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000619873727 492280461 /nfs/dbraw/zinc/28/04/61/492280461.db2.gz SEBGKPQOTWJHAG-AWEZNQCLSA-N 0 1 370.413 0.900 10 5 FCBEMN O=C(NC[C@@H]1CN2CCN1CCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000619873565 492280568 /nfs/dbraw/zinc/28/05/68/492280568.db2.gz NPQTUONSQHIBFF-OAHLLOKOSA-N 0 1 370.413 0.900 10 5 FCBEMN COC(=O)c1cc(C(=O)NC[C@@H]2CN3CCN2CCC3)cc([N+](=O)[O-])c1 ZINC000619873327 492280623 /nfs/dbraw/zinc/28/06/23/492280623.db2.gz DJBCOHNUCMGPEN-OAHLLOKOSA-N 0 1 362.386 0.501 10 5 FCBEMN O=C(NC[C@H]1CN2CCN1CCC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000619879623 492281611 /nfs/dbraw/zinc/28/16/11/492281611.db2.gz LYDIWWUEACMHKO-HNNXBMFYSA-N 0 1 371.401 0.295 10 5 FCBEMN CN(CCCN1CCN(C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753032 547003623 /nfs/dbraw/zinc/00/36/23/547003623.db2.gz HNCJLBMEXDEUSJ-UHFFFAOYSA-N 0 1 357.436 0.248 10 5 FCBEMN CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594745310 547004289 /nfs/dbraw/zinc/00/42/89/547004289.db2.gz FHHBKKXKIYUJAU-LBPRGKRZSA-N 0 1 358.420 0.625 10 5 FCBEMN Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ncccc3[N+](=O)[O-])C2)cn1 ZINC000594756606 547005865 /nfs/dbraw/zinc/00/58/65/547005865.db2.gz CNQKUMXHZMBIFH-LLVKDONJSA-N 0 1 366.403 0.671 10 5 FCBEMN COC(=O)CC1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCOCC1 ZINC000594763085 547007004 /nfs/dbraw/zinc/00/70/04/547007004.db2.gz LLQHRGWBLWTEMF-UHFFFAOYSA-N 0 1 359.360 0.380 10 5 FCBEMN CS(=O)(=O)CCCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594767276 547007603 /nfs/dbraw/zinc/00/76/03/547007603.db2.gz NMFVPDSLGYUQSH-UHFFFAOYSA-N 0 1 351.406 0.483 10 5 FCBEMN C[C@H]1C[N@H+](CCC[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CCCO1 ZINC000594769781 547007826 /nfs/dbraw/zinc/00/78/26/547007826.db2.gz KMRNJKWBIRYZRG-LBPRGKRZSA-N 0 1 358.420 0.769 10 5 FCBEMN C[C@H]1C[N@@H+](CCC[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CCCO1 ZINC000594769781 547007829 /nfs/dbraw/zinc/00/78/29/547007829.db2.gz KMRNJKWBIRYZRG-LBPRGKRZSA-N 0 1 358.420 0.769 10 5 FCBEMN CS(=O)(=O)C1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCCC1 ZINC000594778413 547009816 /nfs/dbraw/zinc/00/98/16/547009816.db2.gz OVLFQUGQZTWOSN-UHFFFAOYSA-N 0 1 363.417 0.626 10 5 FCBEMN Cc1nn(C)c(Cl)c1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941008105 666572672 /nfs/dbraw/zinc/57/26/72/666572672.db2.gz XARJJOQVZKIDEX-GHMZBOCLSA-N 0 1 369.809 0.722 10 5 FCBEMN O=C(CCn1cc(Cl)cn1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007499 666572795 /nfs/dbraw/zinc/57/27/95/666572795.db2.gz NQVBERPIFMQPQF-CHWSQXEVSA-N 0 1 369.809 0.653 10 5 FCBEMN O=C(CCc1cscn1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007752 666572832 /nfs/dbraw/zinc/57/28/32/666572832.db2.gz RMBZKYWZCYLRLO-CHWSQXEVSA-N 0 1 352.416 0.802 10 5 FCBEMN CN1CCN(C)[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848583458 671284530 /nfs/dbraw/zinc/28/45/30/671284530.db2.gz QZSRZHURNGXBAW-LBPRGKRZSA-N 0 1 358.345 0.928 10 5 FCBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000849383103 671332622 /nfs/dbraw/zinc/33/26/22/671332622.db2.gz BTVXOGGTZCETQW-SNVBAGLBSA-N 0 1 359.360 0.190 10 5 FCBEMN COC(=O)C[C@]1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCCOC1 ZINC000849386257 671333353 /nfs/dbraw/zinc/33/33/53/671333353.db2.gz DWSQLPWAXSVMQI-CYBMUJFWSA-N 0 1 359.360 0.380 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000859004099 671788633 /nfs/dbraw/zinc/78/86/33/671788633.db2.gz FMBVXBOPDGNXTR-LLVKDONJSA-N 0 1 360.779 0.994 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(O)CCc3ccccc32)n1 ZINC000859077286 671792074 /nfs/dbraw/zinc/79/20/74/671792074.db2.gz RPYLAMBXOQLYNU-AWEZNQCLSA-N 0 1 352.372 0.441 10 5 FCBEMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(OC(F)F)cn2)n1 ZINC000859137106 671795655 /nfs/dbraw/zinc/79/56/55/671795655.db2.gz XBFHGESPSANLSK-UHFFFAOYSA-N 0 1 363.302 0.803 10 5 FCBEMN Cn1cc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(Br)n1 ZINC000863445604 672128437 /nfs/dbraw/zinc/12/84/37/672128437.db2.gz LEKHLSAVTMFQMC-UHFFFAOYSA-N 0 1 365.169 0.625 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)c1cnn(CCF)c1 ZINC001746229858 1192353814 /nfs/dbraw/zinc/35/38/14/1192353814.db2.gz WGCFETJBZGNQNO-CHWSQXEVSA-N 0 1 367.381 0.677 10 5 FCBEMN CN(CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)c1cnon1 ZINC001746778200 1178905275 /nfs/dbraw/zinc/90/52/75/1178905275.db2.gz AHUUZOUQCWEWTR-DGCLKSJQSA-N 0 1 351.363 0.436 10 5 FCBEMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)C1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001719656768 1179073201 /nfs/dbraw/zinc/07/32/01/1179073201.db2.gz HUAYESYKZZVURJ-ZIAGYGMSSA-N 0 1 371.409 0.746 10 5 FCBEMN CCN(CCNC(=O)c1cncc(COC)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001745333508 1182011482 /nfs/dbraw/zinc/01/14/82/1182011482.db2.gz VNPAHKDRKKEZRQ-ZIAGYGMSSA-N 0 1 350.375 0.472 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(C(N)=O)s1 ZINC001745453533 1186591871 /nfs/dbraw/zinc/59/18/71/1186591871.db2.gz VUISFSCTTZFHJM-NXEZZACHSA-N 0 1 368.415 0.481 10 5 FCBEMN CC(C)CNC(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001482241716 1187868078 /nfs/dbraw/zinc/86/80/78/1187868078.db2.gz TWUQJTNKHCMAFO-ZIAGYGMSSA-N 0 1 352.435 0.348 10 5 FCBEMN CN(CC1CC1)C(=O)CN1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001482241732 1187869004 /nfs/dbraw/zinc/86/90/04/1187869004.db2.gz UTCBWOWCMHYVJH-HUUCEWRRSA-N 0 1 364.446 0.444 10 5 FCBEMN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840403907 1189958268 /nfs/dbraw/zinc/95/82/68/1189958268.db2.gz NFRXMHKRDQKNOV-FAYOZSNISA-N 0 1 368.390 0.545 10 5 FCBEMN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC(N2CCCC2)C1 ZINC000898614801 1194052396 /nfs/dbraw/zinc/05/23/96/1194052396.db2.gz VHFOQRNRZKJGBE-UHFFFAOYSA-N 0 1 360.370 0.627 10 5 FCBEMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594315448 1196884516 /nfs/dbraw/zinc/88/45/16/1196884516.db2.gz GACVCGJPXIDCGU-QWHCGFSZSA-N 0 1 362.386 0.428 10 5 FCBEMN COCCNCc1ccn(Cc2cn(-c3ccc([N+](=O)[O-])cn3)nn2)n1 ZINC000594650079 1196916670 /nfs/dbraw/zinc/91/66/70/1196916670.db2.gz QWGPZCBXXRAEKD-UHFFFAOYSA-N 0 1 358.362 0.551 10 5 FCBEMN COC(=O)c1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC001136874622 1203294007 /nfs/dbraw/zinc/29/40/07/1203294007.db2.gz RPGKYTWWOYWVBB-IAQYHMDHSA-N 0 1 364.402 0.746 10 5 FCBEMN CN(CCOCCNC(=O)c1cc2occc2[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001487583361 1208381746 /nfs/dbraw/zinc/38/17/46/1208381746.db2.gz CIYVCYXSFSPOPY-ZWNOBZJWSA-N 0 1 364.358 0.631 10 5 FCBEMN COCC1(C(=O)NCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001488626963 1208547106 /nfs/dbraw/zinc/54/71/06/1208547106.db2.gz HZAOMWIRTCRLKV-ZIAGYGMSSA-N 0 1 351.403 0.743 10 5 FCBEMN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C2CC=CC2)CC1 ZINC001489033838 1208613978 /nfs/dbraw/zinc/61/39/78/1208613978.db2.gz KIDUBPWYHRMLJG-HUUCEWRRSA-N 0 1 365.430 0.989 10 5 FCBEMN CCc1c(C(=O)NCCC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cnn1C ZINC001489078123 1208620230 /nfs/dbraw/zinc/62/02/30/1208620230.db2.gz QXMTVWHUXDWMJB-BXUZGUMPSA-N 0 1 363.418 0.664 10 5 FCBEMN O=C(CC1CCC1)N(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001490153157 1209265579 /nfs/dbraw/zinc/26/55/79/1209265579.db2.gz DDBOROVHSANOHI-HUUCEWRRSA-N 0 1 353.419 0.654 10 5 FCBEMN CN(CCCNC(=O)c1ocnc1C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687549219 1212218145 /nfs/dbraw/zinc/21/81/45/1212218145.db2.gz DFOMJFFUGISJHV-HTQZYQBOSA-N 0 1 364.280 0.937 10 5 FCBEMN O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001164123319 1223235590 /nfs/dbraw/zinc/23/55/90/1223235590.db2.gz HKYCKLJMCOVZQF-NWDGAFQWSA-N 0 1 363.370 0.647 10 5 FCBEMN Cc1nccc(CCC(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000941008171 1246428038 /nfs/dbraw/zinc/42/80/38/1246428038.db2.gz ZAQHOJCKOHHOAU-HUUCEWRRSA-N 0 1 361.402 0.444 10 5 FCBEMN Cc1cc(C)n(CCC(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000941007556 1246428073 /nfs/dbraw/zinc/42/80/73/1246428073.db2.gz OXIURHQQKZNGBI-HUUCEWRRSA-N 0 1 363.418 0.616 10 5 FCBEMN O=C(c1ncc2ccccn21)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007542 1246428105 /nfs/dbraw/zinc/42/81/05/1246428105.db2.gz OTBRLMVYQIAAAO-ZIAGYGMSSA-N 0 1 357.370 0.674 10 5 FCBEMN O=C(c1cccc2ncnn21)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007714 1246428122 /nfs/dbraw/zinc/42/81/22/1246428122.db2.gz PSJRGBGYQHQMMD-DGCLKSJQSA-N 0 1 358.358 0.069 10 5 FCBEMN CC(C)c1nn(C)cc1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007446 1246428219 /nfs/dbraw/zinc/42/82/19/1246428219.db2.gz MPSJECODPUKCQM-TZMCWYRMSA-N 0 1 363.418 0.883 10 5 FCBEMN O=C(c1ccn2ccnc2c1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007450 1246428590 /nfs/dbraw/zinc/42/85/90/1246428590.db2.gz MUCAGGLWKXDZFX-ZIAGYGMSSA-N 0 1 357.370 0.674 10 5 FCBEMN Cc1ccc2ncc(C(=O)N3CCCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)n2c1 ZINC000941007559 1246428602 /nfs/dbraw/zinc/42/86/02/1246428602.db2.gz OZWGKUYIRCFSMQ-ZIAGYGMSSA-N 0 1 371.397 0.982 10 5 FCBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C(=O)C2CC3(C2)CCOCC3)CC1 ZINC000941011766 1246429131 /nfs/dbraw/zinc/42/91/31/1246429131.db2.gz OEPSHGOKIQVQJG-HUUCEWRRSA-N 0 1 365.430 0.919 10 5 FCBEMN O=C(Cc1cn2ccccc2n1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941011723 1246429209 /nfs/dbraw/zinc/42/92/09/1246429209.db2.gz KDFZJKPYZAADED-HUUCEWRRSA-N 0 1 371.397 0.603 10 5 FCBEMN COc1cc[nH]c(=O)c1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941011511 1246429342 /nfs/dbraw/zinc/42/93/42/1246429342.db2.gz ALNISRAPZMWYCO-GHMZBOCLSA-N 0 1 364.358 0.136 10 5 FCBEMN COc1cc(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC001335669461 1259775815 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ZINC000941007288 1246427137 /nfs/dbraw/zinc/42/71/37/1246427137.db2.gz JSFKSCKATWKBFN-HUUCEWRRSA-N 0 1 363.418 0.685 10 5 FCBEMN CCc1nnc(C)cc1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007094 1246427170 /nfs/dbraw/zinc/42/71/70/1246427170.db2.gz FDWPIRZAICRSKO-UKRRQHHQSA-N 0 1 361.402 0.687 10 5 FCBEMN Cn1nc(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1C(F)F ZINC000941007411 1246428283 /nfs/dbraw/zinc/42/82/83/1246428283.db2.gz KUMAJKQJQODGIJ-MWLCHTKSSA-N 0 1 371.344 0.697 10 5 FCBEMN O=C(Cc1[nH]nc2ccccc21)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007536 1246428343 /nfs/dbraw/zinc/42/83/43/1246428343.db2.gz OPSSNRAGJILMOH-CZUORRHYSA-N 0 1 371.397 0.832 10 5 FCBEMN O=C(c1cn2c(n1)CCCC2)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941012486 1246429185 /nfs/dbraw/zinc/42/91/85/1246429185.db2.gz DLGRPYOVEMQKQR-TZMCWYRMSA-N 0 1 361.402 0.559 10 5 FCBEMN CN(CC(C)(C)CNC(=O)CCc1cncnc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280386627 1261061859 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XQAGFUYKMDTWRK-HUUCEWRRSA-N 0 1 363.418 0.602 10 5 FCBEMN CN(CCC1CCN(C(=O)Cn2ccnc2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285299048 1261829492 /nfs/dbraw/zinc/82/94/92/1261829492.db2.gz NEYJULODICWGEU-HUUCEWRRSA-N 0 1 363.418 0.635 10 5 FCBEMN Cc1nc2ccc(C(=O)NC/C=C\CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2n1C ZINC001285547305 1261850453 /nfs/dbraw/zinc/85/04/53/1261850453.db2.gz KVCXMZAUBAEUKE-SQLJOLKNSA-N 0 1 371.397 0.949 10 5 FCBEMN O=C(Cc1cn2ccccc2n1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285547991 1261850653 /nfs/dbraw/zinc/85/06/53/1261850653.db2.gz QYDMZLUCWRZTAF-GWSUEFFPSA-N 0 1 357.370 0.331 10 5 FCBEMN O=C(Cc1cn2ccccc2n1)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285547990 1261851045 /nfs/dbraw/zinc/85/10/45/1261851045.db2.gz QYDMZLUCWRZTAF-DTSKHDKYSA-N 0 1 357.370 0.331 10 5 FCBEMN Cn1cnc2cc(C(=O)NC3(CNC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)ccc21 ZINC001285923504 1261886124 /nfs/dbraw/zinc/88/61/24/1261886124.db2.gz ISRGOMUHGPRYOF-BXUZGUMPSA-N 0 1 357.370 0.617 10 5 FCBEMN 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ZINC001294140506 1262726780 /nfs/dbraw/zinc/72/67/80/1262726780.db2.gz YSKSLCIDNWREGQ-ZYHUDNBSSA-N 0 1 363.374 0.303 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1occ2c1CCOC2 ZINC001294449582 1262733675 /nfs/dbraw/zinc/73/36/75/1262733675.db2.gz XRJIFPLWZIDRPR-ZIAGYGMSSA-N 0 1 365.386 0.986 10 5 FCBEMN O=C(CCCC1CCOCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC001295349452 1262763820 /nfs/dbraw/zinc/76/38/20/1262763820.db2.gz ZHLCVETYCWKXHZ-GAGVYUBLSA-N 0 1 365.430 0.822 10 5 FCBEMN CCc1nn(C)c(CC)c1CC(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296065225 1262789486 /nfs/dbraw/zinc/78/94/86/1262789486.db2.gz PZPQPWQXKWLQKR-IUODEOHRSA-N 0 1 365.434 0.327 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnc2cccnn21 ZINC001296501923 1262814836 /nfs/dbraw/zinc/81/48/36/1262814836.db2.gz KCGSIXSPKMKTDH-VXGBXAGGSA-N 0 1 360.374 0.363 10 5 FCBEMN O=C(CCCOc1cccnc1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297201326 1262853851 /nfs/dbraw/zinc/85/38/51/1262853851.db2.gz PYSFLIXAHLAXBJ-HUUCEWRRSA-N 0 1 362.386 0.480 10 5 FCBEMN O=C(CCOc1ccc(F)cc1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297259033 1262857402 /nfs/dbraw/zinc/85/74/02/1262857402.db2.gz KSIDLMUVLWETNI-HUUCEWRRSA-N 0 1 365.361 0.834 10 5 FCBEMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC001302881126 1263065469 /nfs/dbraw/zinc/06/54/69/1263065469.db2.gz YWXYNLKUYCLOGE-GXTWGEPZSA-N 0 1 359.342 0.591 10 5 FCBEMN CC(C)(C)c1csc(CN2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001484272904 1263462884 /nfs/dbraw/zinc/46/28/84/1263462884.db2.gz WQESQTBJOGVZPO-GHMZBOCLSA-N 0 1 368.459 0.769 10 5 FCBEMN COc1coc(CN(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)cc1=O ZINC001486368246 1263536713 /nfs/dbraw/zinc/53/67/13/1263536713.db2.gz LJVWFOJGWKOQEF-ZIAGYGMSSA-N 0 1 367.402 0.982 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn(C)nc1C1CCC1 ZINC001492348950 1263649096 /nfs/dbraw/zinc/64/90/96/1263649096.db2.gz HWPQSZCCHRUXTR-TZMCWYRMSA-N 0 1 363.418 0.931 10 5 FCBEMN CCN(CCCNC(=O)c1ncc2n1CCCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001492962497 1263688944 /nfs/dbraw/zinc/68/89/44/1263688944.db2.gz WCAPQEFBZKWMJD-ZIAGYGMSSA-N 0 1 363.418 0.853 10 5 FCBEMN CCc1c[nH]c(=O)c(C(=O)NCCCN(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001493012419 1263692951 /nfs/dbraw/zinc/69/29/51/1263692951.db2.gz GOVFTOKNYAIGNE-TZMCWYRMSA-N 0 1 364.402 0.983 10 5 FCBEMN CCCN(C(=O)Cn1cccn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001493433974 1263723678 /nfs/dbraw/zinc/72/36/78/1263723678.db2.gz RLNBHVFOOONFOK-HUUCEWRRSA-N 0 1 363.418 0.778 10 5 FCBEMN CCn1ncc(CN2CCC(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001495517407 1263822320 /nfs/dbraw/zinc/82/23/20/1263822320.db2.gz LNKWMJGWJHXOLX-HUUCEWRRSA-N 0 1 350.423 0.682 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1csc2cncn21 ZINC001496739639 1263889786 /nfs/dbraw/zinc/88/97/86/1263889786.db2.gz LOELJTGJXJCBNU-NXEZZACHSA-N 0 1 351.388 0.639 10 5 FCBEMN CCN(CCNC(=O)c1ccn(CC(F)F)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496795345 1263898512 /nfs/dbraw/zinc/89/85/12/1263898512.db2.gz IDYBFXRDYROKCK-MWLCHTKSSA-N 0 1 359.333 0.392 10 5 FCBEMN Cc1cc(C)n(CCCC(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001498539823 1263976285 /nfs/dbraw/zinc/97/62/85/1263976285.db2.gz AMMHLXZCTPILPS-HUUCEWRRSA-N 0 1 363.418 0.520 10 5 FCBEMN Cn1ccc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)cc1=O ZINC001499483630 1264030489 /nfs/dbraw/zinc/03/04/89/1264030489.db2.gz CXNOFUKLPGKANF-CHWSQXEVSA-N 0 1 362.386 0.209 10 5 FCBEMN Cc1nnc(CC(=O)N2CCC(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001499769441 1264046086 /nfs/dbraw/zinc/04/60/86/1264046086.db2.gz MLPPXVICHDJBII-CHWSQXEVSA-N 0 1 365.390 0.331 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cncc2ncn(C)c21 ZINC001501146504 1264103995 /nfs/dbraw/zinc/10/39/95/1264103995.db2.gz OWWLUKNBRKFMKO-ZWNOBZJWSA-N 0 1 360.374 0.164 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC001501852363 1264145612 /nfs/dbraw/zinc/14/56/12/1264145612.db2.gz PRGRDISYSPTHJL-AYYPDYFKSA-N 0 1 369.381 0.940 10 5 FCBEMN COCc1ccccc1CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506048900 1264287085 /nfs/dbraw/zinc/28/70/85/1264287085.db2.gz FXHNIBWRNZLCPS-HUUCEWRRSA-N 0 1 361.398 0.806 10 5 FCBEMN CC(=O)Nc1cccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001506049286 1264287918 /nfs/dbraw/zinc/28/79/18/1264287918.db2.gz WSISCWBCPYFUKF-ZIAGYGMSSA-N 0 1 360.370 0.689 10 5 FCBEMN Cc1ccc(F)cc1CN1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001506095089 1264291142 /nfs/dbraw/zinc/29/11/42/1264291142.db2.gz QRBBOJBBHPEMRS-HUUCEWRRSA-N 0 1 351.378 0.852 10 5 FCBEMN Cc1cc(NC(=O)CN(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)on1 ZINC001507788763 1264387777 /nfs/dbraw/zinc/38/77/77/1264387777.db2.gz VUDYRYINALNAHE-CHWSQXEVSA-N 0 1 367.406 0.756 10 5 FCBEMN CC1(C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCCC1 ZINC001509164274 1264439564 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CAOUTCBOMYKKKM-GJZGRUSLSA-N 0 1 361.406 0.377 10 5 FCBEMN Cc1nn(C)cc1CCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001523213673 1266612704 /nfs/dbraw/zinc/61/27/04/1266612704.db2.gz ULDCNKYXKAIWAX-HUUCEWRRSA-N 0 1 363.418 0.434 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c(F)cncc1F ZINC001523874049 1266664013 /nfs/dbraw/zinc/66/40/13/1266664013.db2.gz VBKGGSMREWARNJ-BXKDBHETSA-N 0 1 356.329 0.993 10 5 FCBEMN CC/C(C)=C/C(=O)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001524059729 1266681051 /nfs/dbraw/zinc/68/10/51/1266681051.db2.gz NPPTVQOUZAAKKT-MLOLEURXSA-N 0 1 352.435 0.658 10 5 FCBEMN O=C(NCCCN1CCN(C(=O)c2ccccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001524059363 1266681410 /nfs/dbraw/zinc/68/14/10/1266681410.db2.gz IPMCJJMNLMIVBO-UKRRQHHQSA-N 0 1 361.402 0.011 10 5 FCBEMN CC(=O)NC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCCC1 ZINC001525022661 1266733986 /nfs/dbraw/zinc/73/39/86/1266733986.db2.gz QQANSBLAOWPASR-AAVRWANBSA-N 0 1 366.418 0.254 10 5 FCBEMN 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ZINC001530624631 1267111812 /nfs/dbraw/zinc/11/18/12/1267111812.db2.gz KXWHCLNOKMFPOK-TZMCWYRMSA-N 0 1 353.325 0.890 10 5 FCBEMN Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)n(C)n1 ZINC001334754510 1267161680 /nfs/dbraw/zinc/16/16/80/1267161680.db2.gz TXVZYVZCDNZCOA-CHWSQXEVSA-N 0 1 363.418 0.943 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccn(-c2ccncc2)n1 ZINC001533490558 1267220212 /nfs/dbraw/zinc/22/02/12/1267220212.db2.gz AGKVTEMOLFMTSJ-HYTVEURUSA-N 0 1 370.369 0.335 10 5 FCBEMN CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001535148486 1267283356 /nfs/dbraw/zinc/28/33/56/1267283356.db2.gz BIJXDQLJYKZGTC-MWLCHTKSSA-N 0 1 351.315 0.202 10 5 FCBEMN Cc1nc(CCC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001536034078 1267315770 /nfs/dbraw/zinc/31/57/70/1267315770.db2.gz YGSBWKUTWLBPCE-VXGBXAGGSA-N 0 1 352.416 0.814 10 5 FCBEMN CN(C(=O)CCOc1ccccc1F)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001536520943 1267328367 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SJOZETIPKBBKBW-SECBINFHSA-N 0 1 359.408 0.282 10 5 FCBEMN Cc1cnn(C)c1C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001571792534 1269955822 /nfs/dbraw/zinc/95/58/22/1269955822.db2.gz TXAXTBCGGGMIOF-VXGBXAGGSA-N 0 1 351.407 0.608 10 5 FCBEMN CN(CC(C)(C)CNC(=O)Cc1ccc(=O)[nH]c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001571792152 1269956104 /nfs/dbraw/zinc/95/61/04/1269956104.db2.gz GNLXUVCSSHEPPJ-CHWSQXEVSA-N 0 1 364.402 0.596 10 5 FCBEMN Cc1nc(C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)s1 ZINC001571883727 1269970248 /nfs/dbraw/zinc/97/02/48/1269970248.db2.gz VCBNYVDUEVWLGU-GHMZBOCLSA-N 0 1 368.415 0.118 10 5 FCBEMN O=C(CC1OCCCO1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001571905445 1269979344 /nfs/dbraw/zinc/97/93/44/1269979344.db2.gz INTPUWSBYOBLEB-CHWSQXEVSA-N 0 1 369.418 0.740 10 5 FCBEMN Cn1c(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)c[nH]c1=O ZINC001571907090 1269980303 /nfs/dbraw/zinc/98/03/03/1269980303.db2.gz SZHSKWXSMZNBAH-GHMZBOCLSA-N 0 1 365.390 0.340 10 5 FCBEMN NC(=O)CCCCC(=O)N1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001572039418 1269989326 /nfs/dbraw/zinc/98/93/26/1269989326.db2.gz YFVAXJQHRCMMHI-CHWSQXEVSA-N 0 1 366.418 0.148 10 5 FCBEMN CNC(=O)C1(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001572163478 1269999648 /nfs/dbraw/zinc/99/96/48/1269999648.db2.gz VUOMEPXPRIDOKM-CHWSQXEVSA-N 0 1 366.418 0.017 10 5 FCBEMN Cc1cc(C)nc(C(=O)N(C)CCOCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001572178613 1270001807 /nfs/dbraw/zinc/00/18/07/1270001807.db2.gz SCBDROHOHMQDRK-UKRRQHHQSA-N 0 1 364.402 0.568 10 5 FCBEMN Cc1c(CC(=O)N(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)cnn1C ZINC001572508974 1270084268 /nfs/dbraw/zinc/08/42/68/1270084268.db2.gz CCLMIXRSSVBIEE-HUUCEWRRSA-N 0 1 365.434 0.632 10 5 FCBEMN Cc1cnn(C)c1C(=O)NCCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001572704244 1270109465 /nfs/dbraw/zinc/10/94/65/1270109465.db2.gz XLEKIODVCAJRQH-ZIAGYGMSSA-N 0 1 361.402 0.672 10 5 FCBEMN O=C(COCc1ccccc1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001344209333 1270112909 /nfs/dbraw/zinc/11/29/09/1270112909.db2.gz HVCCKAYESJXJNX-QKPAOTATSA-N 0 1 361.398 0.879 10 5 FCBEMN CCC(CC)C(=O)N1CCC(N(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001573642312 1270848040 /nfs/dbraw/zinc/84/80/40/1270848040.db2.gz AONYXQDXMLVIKC-HUUCEWRRSA-N 0 1 355.435 0.900 10 5 FCBEMN COCCC(=O)NCc1nc2c(s1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001573636382 1270848080 /nfs/dbraw/zinc/84/80/80/1270848080.db2.gz WZHPUPFFLKFFRP-MWLCHTKSSA-N 0 1 368.415 0.346 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnc(-n2cccc2)c1 ZINC001575821449 1272482328 /nfs/dbraw/zinc/48/23/28/1272482328.db2.gz DNPHBNOLQUWCPL-ZIAGYGMSSA-N 0 1 357.370 0.774 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(-n2cncn2)c1 ZINC001575821344 1272482353 /nfs/dbraw/zinc/48/23/53/1272482353.db2.gz CQFZJTNKADHKNV-ZIAGYGMSSA-N 0 1 358.358 0.169 10 5 FCBEMN Cc1noc(CCC(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001576410152 1273242460 /nfs/dbraw/zinc/24/24/60/1273242460.db2.gz GAQVEQKSIHPSDJ-VXGBXAGGSA-N 0 1 351.363 0.083 10 5 FCBEMN Cc1ccn2ncc(C(=O)N(C)CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])c2c1 ZINC001577034733 1274096922 /nfs/dbraw/zinc/09/69/22/1274096922.db2.gz DVXNVXLVTJARKY-IUODEOHRSA-N 0 1 359.386 0.886 10 5 FCBEMN Cc1ccc(C(=O)NCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)c(=O)[nH]1 ZINC001577819063 1274927631 /nfs/dbraw/zinc/92/76/31/1274927631.db2.gz VRQLAHHYVSTXLI-ZIAGYGMSSA-N 0 1 362.386 0.872 10 5 FCBEMN CCN(C(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC001713451905 1287279173 /nfs/dbraw/zinc/27/91/73/1287279173.db2.gz ZFWMKCFZPZKDIU-HUUCEWRRSA-N 0 1 354.451 0.881 10 5 FCBEMN O=C(CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)NCc1cc(F)cc(F)c1 ZINC001713821336 1287301269 /nfs/dbraw/zinc/30/12/69/1287301269.db2.gz HUEHXHHDPFJSCH-ZIAGYGMSSA-N 0 1 368.340 0.047 10 5 FCBEMN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1cccs1 ZINC001714166354 1287314792 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0.228 10 5 FCBEMN Cc1nocc1C(=O)N(C)CCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001719587687 1168467541 /nfs/dbraw/zinc/46/75/41/1168467541.db2.gz CBBXRWCECCTXGG-DGCLKSJQSA-N 0 1 354.363 0.195 10 5 FCBEMN O=C(CCCn1ccnc1)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001687316408 1170281483 /nfs/dbraw/zinc/28/14/83/1170281483.db2.gz RSCUKAMMNHVODF-HUUCEWRRSA-N 0 1 363.418 0.683 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1[nH]ncc1Br ZINC001745106551 1179887572 /nfs/dbraw/zinc/88/75/72/1179887572.db2.gz MSVJAFXHFJGQBX-HTRCEHHLSA-N 0 1 360.168 0.026 10 5 FCBEMN CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1n[nH]cc1Br ZINC001745106551 1179887573 /nfs/dbraw/zinc/88/75/73/1179887573.db2.gz MSVJAFXHFJGQBX-HTRCEHHLSA-N 0 1 360.168 0.026 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(C)cn2ccnc12 ZINC001745308559 1181929971 /nfs/dbraw/zinc/92/99/71/1181929971.db2.gz RGUUHWXKFVXCSV-TZMCWYRMSA-N 0 1 359.386 0.886 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnn1C(F)F ZINC001745453169 1186591634 /nfs/dbraw/zinc/59/16/34/1186591634.db2.gz FYRZYMWTPSUCFO-MWLCHTKSSA-N 0 1 359.333 0.912 10 5 FCBEMN O=C(NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1ccnn1C1CCC1 ZINC001745518476 1186629412 /nfs/dbraw/zinc/62/94/12/1186629412.db2.gz QXARQJLZELVOMJ-UKRRQHHQSA-N 0 1 361.402 0.994 10 5 FCBEMN CC(C)n1nccc1NC(=O)CN(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268237249 1186644440 /nfs/dbraw/zinc/64/44/40/1186644440.db2.gz FKWPFWGYDAZPLW-CHWSQXEVSA-N 0 1 366.422 0.458 10 5 FCBEMN COC(=O)COc1ccc(CN2CCN(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475120309 1190668584 /nfs/dbraw/zinc/66/85/84/1190668584.db2.gz RBEUCJIKXNTWLU-ZDUSSCGKSA-N 0 1 367.402 0.645 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1nccc2cccnc21 ZINC001299187443 1191140045 /nfs/dbraw/zinc/14/00/45/1191140045.db2.gz HDORWNXZCBKKNE-VXGBXAGGSA-N 0 1 355.354 0.674 10 5 FCBEMN O=C(CNC(=O)CC1CCCC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299198740 1191210984 /nfs/dbraw/zinc/21/09/84/1191210984.db2.gz BGHMXOFPKNZLOC-CHWSQXEVSA-N 0 1 366.418 0.113 10 5 FCBEMN CCOC(=O)c1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000594393851 1196719294 /nfs/dbraw/zinc/71/92/94/1196719294.db2.gz RTKGXCNXTNHLTL-LSDHHAIUSA-N 0 1 363.370 0.663 10 5 FCBEMN CN(CCCNC(=O)c1cccc2ncn(C)c21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001687519927 1206410211 /nfs/dbraw/zinc/41/02/11/1206410211.db2.gz KGDHJSDRRCJVJC-TZMCWYRMSA-N 0 1 359.386 0.817 10 5 FCBEMN CN(CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(F)s1 ZINC001487581723 1208380774 /nfs/dbraw/zinc/38/07/74/1208380774.db2.gz KEUALTIGNWEDBP-NXEZZACHSA-N 0 1 359.379 0.757 10 5 FCBEMN O=C(CCOCC(F)F)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001488621223 1208545432 /nfs/dbraw/zinc/54/54/32/1208545432.db2.gz SDKIVKHADLCZSI-VXGBXAGGSA-N 0 1 361.345 0.598 10 5 FCBEMN Cc1nn(C)cc1CC(=O)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001488625879 1208546920 /nfs/dbraw/zinc/54/69/20/1208546920.db2.gz SNRKUIDLVCYSCI-HUUCEWRRSA-N 0 1 361.402 0.211 10 5 FCBEMN CCC1(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCOCC1 ZINC001489817209 1209096942 /nfs/dbraw/zinc/09/69/42/1209096942.db2.gz KLZOUZTTXJWKSJ-XJFOESAGSA-N 0 1 353.419 0.869 10 5 FCBEMN Cc1cc[nH]c1C(=O)N(C)CCOCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001490053832 1209229302 /nfs/dbraw/zinc/22/93/02/1209229302.db2.gz NRFUBAXPSDIPMJ-CHWSQXEVSA-N 0 1 352.391 0.535 10 5 FCBEMN O=Cc1ccc(OCC(=O)NC[C@H]2CN3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000854353846 1209623848 /nfs/dbraw/zinc/62/38/48/1209623848.db2.gz HOTUPFPQFGFCAU-AWEZNQCLSA-N 0 1 362.386 0.292 10 5 FCBEMN O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856543138 1209715497 /nfs/dbraw/zinc/71/54/97/1209715497.db2.gz PEKJZZVHJPMCQP-IMJJTQAJSA-N 0 1 374.401 0.003 10 5 FCBEMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856543138 1209715503 /nfs/dbraw/zinc/71/55/03/1209715503.db2.gz PEKJZZVHJPMCQP-IMJJTQAJSA-N 0 1 374.401 0.003 10 5 FCBEMN O=C(CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NCC1CCC1 ZINC001276862173 1225679480 /nfs/dbraw/zinc/67/94/80/1225679480.db2.gz KJISCRHHDVPBRA-HUUCEWRRSA-N 0 1 364.446 0.492 10 5 FCBEMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001138019136 1222469814 /nfs/dbraw/zinc/46/98/14/1222469814.db2.gz ZGKVFTLEJAULDI-NSHDSACASA-N 0 1 366.305 0.980 10 5 FCBEMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC001671128719 1222913114 /nfs/dbraw/zinc/91/31/14/1222913114.db2.gz HBSLGBPPBLHKRU-ZIAGYGMSSA-N 0 1 350.419 0.099 10 5 FCBEMN CCc1c(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)cnn1C ZINC001746660324 1223077317 /nfs/dbraw/zinc/07/73/17/1223077317.db2.gz DIPUUBNGGJLCPN-BXUZGUMPSA-N 0 1 363.418 0.807 10 5 FCBEMN O=C(c1c[nH]c2ncccc12)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007085 1246426789 /nfs/dbraw/zinc/42/67/89/1246426789.db2.gz DMOVCNNHCLKJGS-TZMCWYRMSA-N 0 1 357.370 0.903 10 5 FCBEMN COc1nc(C)ccc1C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007245 1246427254 /nfs/dbraw/zinc/42/72/54/1246427254.db2.gz HMDYHORDBKXJDG-ZIAGYGMSSA-N 0 1 362.386 0.738 10 5 FCBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C(=O)C2(C3CC3)CCOCC2)CC1 ZINC000941007728 1246428137 /nfs/dbraw/zinc/42/81/37/1246428137.db2.gz QEFSRPBSMAEIJB-HUUCEWRRSA-N 0 1 365.430 0.919 10 5 FCBEMN Cn1cc(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C(F)F)n1 ZINC000941007792 1246428363 /nfs/dbraw/zinc/42/83/63/1246428363.db2.gz UIMZKRHATRMQGM-MWLCHTKSSA-N 0 1 371.344 0.697 10 5 FCBEMN O=C(c1ccnc2ccncc21)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007527 1246428439 /nfs/dbraw/zinc/42/84/39/1246428439.db2.gz OHXKQHYPAUMDQB-CZUORRHYSA-N 0 1 369.381 0.970 10 5 FCBEMN CC(C)c1cccc(CN2CC(CCO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001329657252 1265801495 /nfs/dbraw/zinc/80/14/95/1265801495.db2.gz XJSMKMOGULBJMJ-GDBMZVCRSA-N 0 1 362.430 0.923 10 5 FCBEMN CCOCC1(C(=O)N(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001336437151 1260127157 /nfs/dbraw/zinc/12/71/57/1260127157.db2.gz AQZSMSRNBGJQJG-ZIAGYGMSSA-N 0 1 353.419 0.918 10 5 FCBEMN O=C(NC1(CCO)CN(C(=O)c2ccc(F)cc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001280554500 1261068664 /nfs/dbraw/zinc/06/86/64/1261068664.db2.gz QLAVNGKDWWFQCW-DGCLKSJQSA-N 0 1 369.324 0.323 10 5 FCBEMN CN(CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1occ2c1CCC2 ZINC001280906072 1261077262 /nfs/dbraw/zinc/07/72/62/1261077262.db2.gz MHLPUVCDOGXPPX-ZIAGYGMSSA-N 0 1 365.386 0.638 10 5 FCBEMN COc1cc(C(=O)N(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)ncn1 ZINC001281290568 1261107036 /nfs/dbraw/zinc/10/70/36/1261107036.db2.gz SFBRDMNQJVZAOP-DGCLKSJQSA-N 0 1 365.390 0.459 10 5 FCBEMN O=C(c1cccnc1)N1CCC(N(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001282404272 1261446748 /nfs/dbraw/zinc/44/67/48/1261446748.db2.gz SPJAMEAXRHNWHU-HUUCEWRRSA-N 0 1 362.386 0.172 10 5 FCBEMN CC(C)(C)C(=O)NCCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283430389 1261685160 /nfs/dbraw/zinc/68/51/60/1261685160.db2.gz FNJRKSXHAIGCEF-CHWSQXEVSA-N 0 1 368.434 0.311 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnn(C)c1C1CC1 ZINC001283718337 1261699360 /nfs/dbraw/zinc/69/93/60/1261699360.db2.gz VGTDWEJCPMCVEK-TZMCWYRMSA-N 0 1 363.418 0.931 10 5 FCBEMN CC(=O)Nc1cc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC001284535620 1261763312 /nfs/dbraw/zinc/76/33/12/1261763312.db2.gz KLSRBCGQMVFOFM-UKRRQHHQSA-N 0 1 362.386 0.807 10 5 FCBEMN COc1c(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cnn1C ZINC001285502514 1261848941 /nfs/dbraw/zinc/84/89/41/1261848941.db2.gz RKBUKDPIFUZEET-ZYHUDNBSSA-N 0 1 367.406 0.308 10 5 FCBEMN O=C(COc1ccc(F)cc1F)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285543126 1261851090 /nfs/dbraw/zinc/85/10/90/1261851090.db2.gz FLTBZLFHYSFJSL-BUQROOPJSA-N 0 1 369.324 0.797 10 5 FCBEMN O=C(Cc1cnn2c1CCCC2)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285923191 1261885234 /nfs/dbraw/zinc/88/52/34/1261885234.db2.gz DHGVKHPNEUETDB-TZMCWYRMSA-N 0 1 361.402 0.192 10 5 FCBEMN O=C(CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001285923126 1261886250 /nfs/dbraw/zinc/88/62/50/1261886250.db2.gz AXMNLJMOCMAONJ-CHWSQXEVSA-N 0 1 366.418 0.256 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cn(-c2ccccc2)cn1 ZINC001285935896 1261890067 /nfs/dbraw/zinc/89/00/67/1261890067.db2.gz HCKOSZCPRWHWHV-UKRRQHHQSA-N 0 1 369.381 0.916 10 5 FCBEMN Cc1c(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)cnn1C ZINC001286028097 1261905947 /nfs/dbraw/zinc/90/59/47/1261905947.db2.gz JPSMXAXXDDYBSD-TZMCWYRMSA-N 0 1 363.418 0.943 10 5 FCBEMN Cc1ncc(C(=O)NCC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC001288764751 1262033589 /nfs/dbraw/zinc/03/35/89/1262033589.db2.gz RRQVYFYPGDVGFL-TZMCWYRMSA-N 0 1 361.402 0.775 10 5 FCBEMN O=C(NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(-c2ccccc2)n[nH]1 ZINC001293307225 1262714927 /nfs/dbraw/zinc/71/49/27/1262714927.db2.gz OCDGHWMSQLKNFA-IUODEOHRSA-N 0 1 357.370 0.978 10 5 FCBEMN Cc1cnc2c(C(=O)N(C)CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])cnn2c1 ZINC001294068684 1262725508 /nfs/dbraw/zinc/72/55/08/1262725508.db2.gz NVHXACLLTIHXBY-DGCLKSJQSA-N 0 1 360.374 0.281 10 5 FCBEMN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(O)(CN2CCOCC2)CC1 ZINC001295495988 1262766284 /nfs/dbraw/zinc/76/62/84/1262766284.db2.gz FZTXWPSCLVXWLE-UHFFFAOYSA-N 0 1 364.402 0.476 10 5 FCBEMN O=C(NCc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1)c1ccn[nH]1 ZINC001295765717 1262779578 /nfs/dbraw/zinc/77/95/78/1262779578.db2.gz YZAFJGWGJFXRJG-UKRRQHHQSA-N 0 1 357.370 0.664 10 5 FCBEMN CCc1ccc(CC(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)nc1 ZINC001296574750 1262821422 /nfs/dbraw/zinc/82/14/22/1262821422.db2.gz OORQEKYKTDQVAL-HZPDHXFCSA-N 0 1 360.414 0.959 10 5 FCBEMN Cn1cccc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)c1=O ZINC001297530539 1262877199 /nfs/dbraw/zinc/87/71/99/1262877199.db2.gz UWBFKVDWXFFEEW-CHWSQXEVSA-N 0 1 362.386 0.209 10 5 FCBEMN COc1ccnc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)c1 ZINC001297530794 1262877378 /nfs/dbraw/zinc/87/73/78/1262877378.db2.gz CZNVOLZNALGWAN-TZMCWYRMSA-N 0 1 362.386 0.914 10 5 FCBEMN Cc1cc(CC(=O)NCCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]n1 ZINC001297604394 1262884470 /nfs/dbraw/zinc/88/44/70/1262884470.db2.gz OBIQJTUDOGQCDM-HUUCEWRRSA-N 0 1 363.418 0.671 10 5 FCBEMN Cc1cc(CC(=O)NCCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n[nH]1 ZINC001297604394 1262884475 /nfs/dbraw/zinc/88/44/75/1262884475.db2.gz OBIQJTUDOGQCDM-HUUCEWRRSA-N 0 1 363.418 0.671 10 5 FCBEMN CCOc1cccc(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001298071427 1262908166 /nfs/dbraw/zinc/90/81/66/1262908166.db2.gz YQAFOIISWSTICO-ZIAGYGMSSA-N 0 1 364.402 0.605 10 5 FCBEMN Cc1cc(C(=O)N2CCC(C)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cnn1 ZINC001299662251 1262975061 /nfs/dbraw/zinc/97/50/61/1262975061.db2.gz HAZWRVJEVBYIHF-ZIAGYGMSSA-N 0 1 361.402 0.809 10 5 FCBEMN O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001302935915 1263065829 /nfs/dbraw/zinc/06/58/29/1263065829.db2.gz DZNJUSBMNQUGPK-NSHDSACASA-N 0 1 354.330 0.923 10 5 FCBEMN O=C(NCCCN1CCN(CC(F)(F)C(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001479919414 1263416441 /nfs/dbraw/zinc/41/64/41/1263416441.db2.gz HGGNFHWOCNQTDW-GHMZBOCLSA-N 0 1 370.347 0.676 10 5 FCBEMN Cc1ccc(CNC(=O)CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001482596010 1263443097 /nfs/dbraw/zinc/44/30/97/1263443097.db2.gz COXVOESAPFFOGA-ZIAGYGMSSA-N 0 1 368.459 0.728 10 5 FCBEMN CC(C)N(CCN(C)CC(=O)NC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486368096 1263536246 /nfs/dbraw/zinc/53/62/46/1263536246.db2.gz JTFBFMNWEMLXES-HUUCEWRRSA-N 0 1 370.450 0.116 10 5 FCBEMN Cc1[nH]nc(C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001486755491 1263550796 /nfs/dbraw/zinc/55/07/96/1263550796.db2.gz XMCZGJIETCGGOJ-VXGBXAGGSA-N 0 1 351.407 0.906 10 5 FCBEMN CN(CC(C)(C)CNC(=O)c1cnn2c1CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486762425 1263550904 /nfs/dbraw/zinc/55/09/04/1263550904.db2.gz YGUZVVDABQZPCJ-BXUZGUMPSA-N 0 1 363.418 0.709 10 5 FCBEMN O=C(CCc1ccsc1)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 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MYYKLDSVUUNMKA-UKRRQHHQSA-N 0 1 367.377 0.036 10 5 FCBEMN O=C(NC1(CCO)CN(Cc2c(F)cccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001485406002 1263504620 /nfs/dbraw/zinc/50/46/20/1263504620.db2.gz UMFCJCSWPAERKT-QMTHXVAHSA-N 0 1 355.341 0.683 10 5 FCBEMN CC(C)n1cc(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001486762419 1263551448 /nfs/dbraw/zinc/55/14/48/1263551448.db2.gz XWVVEPMSGWYXPJ-DGCLKSJQSA-N 0 1 366.422 0.739 10 5 FCBEMN O=C(CC1CCCCC1)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001487032922 1263573271 /nfs/dbraw/zinc/57/32/71/1263573271.db2.gz WLFXPGKKUATFGD-ZIAGYGMSSA-N 0 1 353.419 0.702 10 5 FCBEMN Cn1c(=O)cccc1C(=O)NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001493114589 1263700548 /nfs/dbraw/zinc/70/05/48/1263700548.db2.gz VHJAMKSPECFTMM-TZMCWYRMSA-N 0 1 362.386 0.161 10 5 FCBEMN O=C(NCCN1CCN(C(=O)C2=CCCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001493165671 1263707088 /nfs/dbraw/zinc/70/70/88/1263707088.db2.gz BHSRVGUQEFAGMH-HZPDHXFCSA-N 0 1 364.446 0.803 10 5 FCBEMN O=C(CCCC1CC1)NCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001493181184 1263709907 /nfs/dbraw/zinc/70/99/07/1263709907.db2.gz SJFIILBHTOULGJ-HUUCEWRRSA-N 0 1 352.435 0.492 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nnnn1C(C)(C)C ZINC001493292090 1263716836 /nfs/dbraw/zinc/71/68/36/1263716836.db2.gz XQYKAJIBUKPNPH-VXGBXAGGSA-N 0 1 353.427 0.422 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1cc2ccccc2n1C ZINC001496013866 1263850735 /nfs/dbraw/zinc/85/07/35/1263850735.db2.gz VPBUSDPJKGNGOM-GDBMZVCRSA-N 0 1 358.398 0.961 10 5 FCBEMN CN(CCNC(=O)CN(C)C(=O)c1cccs1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496135253 1263861015 /nfs/dbraw/zinc/86/10/15/1263861015.db2.gz RUVUFPBXLSJSMN-GHMZBOCLSA-N 0 1 368.415 0.060 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCn1nc(C)cc1C ZINC001496739706 1263890464 /nfs/dbraw/zinc/89/04/64/1263890464.db2.gz NNSVSQCJLUJMLI-ZIAGYGMSSA-N 0 1 351.407 0.520 10 5 FCBEMN CC(C)c1nn(C)cc1C(=O)NCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001497445295 1263931989 /nfs/dbraw/zinc/93/19/89/1263931989.db2.gz VROKXCXUCJIDAM-TZMCWYRMSA-N 0 1 363.418 0.930 10 5 FCBEMN COc1ccc(C(=O)NCCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)nn1 ZINC001497686319 1263949144 /nfs/dbraw/zinc/94/91/44/1263949144.db2.gz AGMRPOCHUFEPPU-DGCLKSJQSA-N 0 1 365.390 0.507 10 5 FCBEMN O=C(CCc1ccncn1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001499492969 1264030956 /nfs/dbraw/zinc/03/09/56/1264030956.db2.gz GCYPYPAYLKDWDM-ZIAGYGMSSA-N 0 1 361.402 0.620 10 5 FCBEMN CN(Cc1ccsc1)C(=O)CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001499665080 1264039824 /nfs/dbraw/zinc/03/98/24/1264039824.db2.gz UVHYXWGBMQGARZ-ZIAGYGMSSA-N 0 1 366.443 0.514 10 5 FCBEMN COc1cc(OC)cc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001501852416 1264145828 /nfs/dbraw/zinc/14/58/28/1264145828.db2.gz QCWFHLOPIHKYHG-LPUOJRKPSA-N 0 1 363.370 0.771 10 5 FCBEMN O=C(COc1ccccc1F)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506049108 1264286655 /nfs/dbraw/zinc/28/66/55/1264286655.db2.gz OARGCWHGAWCQLC-ZYHUDNBSSA-N 0 1 351.334 0.635 10 5 FCBEMN Cn1ncc2cc(C(=O)NCC3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)cnc21 ZINC001506186722 1264299931 /nfs/dbraw/zinc/29/99/31/1264299931.db2.gz UZSNKLWYXHFFKR-VXGBXAGGSA-N 0 1 358.358 0.012 10 5 FCBEMN CC1(CNC(=O)c2cnsn2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506646882 1264333492 /nfs/dbraw/zinc/33/34/92/1264333492.db2.gz CUVLCJWWNJXZMJ-MWLCHTKSSA-N 0 1 353.404 0.562 10 5 FCBEMN Cc1c(C(=O)NCC2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnn1C ZINC001506647076 1264334401 /nfs/dbraw/zinc/33/44/01/1264334401.db2.gz IGLNIXWHHDNRAI-VXGBXAGGSA-N 0 1 364.406 0.147 10 5 FCBEMN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1cnn(C)c1 ZINC001508669426 1264417947 /nfs/dbraw/zinc/41/79/47/1264417947.db2.gz CGHCKYVDMKJGRL-ZIAGYGMSSA-N 0 1 365.434 0.619 10 5 FCBEMN CCc1ccc(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc1 ZINC001509854772 1264469230 /nfs/dbraw/zinc/46/92/30/1264469230.db2.gz KFNHSZGOTUEDRB-DTZQCDIJSA-N 0 1 360.414 0.863 10 5 FCBEMN CC1=C(C(=O)N(C)CCOCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC001510193494 1264484893 /nfs/dbraw/zinc/48/48/93/1264484893.db2.gz JJHKVFPDHBQFRN-ZIAGYGMSSA-N 0 1 355.391 0.327 10 5 FCBEMN COc1nn(C)cc1C(=O)N(C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001511706925 1264578345 /nfs/dbraw/zinc/57/83/45/1264578345.db2.gz OQCIVNQPHFKOJW-DGCLKSJQSA-N 0 1 367.406 0.403 10 5 FCBEMN CCn1nc(C)c(C(=O)N(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)n1 ZINC001511716928 1264580000 /nfs/dbraw/zinc/58/00/00/1264580000.db2.gz YEWNFAROWOANSL-CHWSQXEVSA-N 0 1 366.422 0.581 10 5 FCBEMN Cc1ncsc1CCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001525022850 1266734829 /nfs/dbraw/zinc/73/48/29/1266734829.db2.gz XUFYLIGCEGULDJ-DDHJBXDOSA-N 0 1 352.416 0.813 10 5 FCBEMN O=C(CC1OCCCO1)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001512544296 1264630022 /nfs/dbraw/zinc/63/00/22/1264630022.db2.gz VVFOGEFABZINOZ-ZIAGYGMSSA-N 0 1 367.402 0.470 10 5 FCBEMN CCc1oncc1C(=O)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001512614115 1264635508 /nfs/dbraw/zinc/63/55/08/1264635508.db2.gz WONZJQAOTODINW-ZYHUDNBSSA-N 0 1 350.375 0.919 10 5 FCBEMN CCn1ncc(Cl)c1C(=O)NCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001523419906 1266626843 /nfs/dbraw/zinc/62/68/43/1266626843.db2.gz YOGGCXHPBXKCKC-MWLCHTKSSA-N 0 1 357.798 0.800 10 5 FCBEMN CN(CCCNC(=O)CN1CCCCCCC1=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001523475996 1266633802 /nfs/dbraw/zinc/63/38/02/1266633802.db2.gz DVWIHXMVLQAKJB-ZIAGYGMSSA-N 0 1 368.434 0.409 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(N(C)C)nn1 ZINC001523872683 1266664134 /nfs/dbraw/zinc/66/41/34/1266664134.db2.gz FIAYWZZVJNHXQB-DGCLKSJQSA-N 0 1 364.406 0.176 10 5 FCBEMN CCc1cc(C(=O)N(CC)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)nn1 ZINC001523873625 1266664865 /nfs/dbraw/zinc/66/48/65/1266664865.db2.gz SHUZHCAQCXNLQD-HUUCEWRRSA-N 0 1 363.418 0.981 10 5 FCBEMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CC(=O)NC)CC1 ZINC001524292531 1266699291 /nfs/dbraw/zinc/69/92/91/1266699291.db2.gz XPZYTONAJHQASD-CHWSQXEVSA-N 0 1 354.407 0.017 10 5 FCBEMN CN(CC(C)(C)CNC(=O)CCc1ccon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001334051694 1266794423 /nfs/dbraw/zinc/79/44/23/1266794423.db2.gz ZRSLREYDPXXHMW-CHWSQXEVSA-N 0 1 352.391 0.873 10 5 FCBEMN CCN(C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC001334073571 1266811029 /nfs/dbraw/zinc/81/10/29/1266811029.db2.gz XSWXBWSDXXWQIJ-AWEZNQCLSA-N 0 1 364.402 0.642 10 5 FCBEMN CC(=O)Nc1cc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC001528111688 1266945310 /nfs/dbraw/zinc/94/53/10/1266945310.db2.gz UVYIDEJZFSNUIS-UKRRQHHQSA-N 0 1 362.386 0.807 10 5 FCBEMN CN(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)C(=O)C(C)(C)C ZINC001530215416 1267101385 /nfs/dbraw/zinc/10/13/85/1267101385.db2.gz BURQUUVIBUWHOK-CHWSQXEVSA-N 0 1 353.419 0.964 10 5 FCBEMN O=C(NC1(CCO)CN(C(=O)c2ccc(CF)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001334612119 1267106674 /nfs/dbraw/zinc/10/66/74/1267106674.db2.gz HOYMMFHKOMVCJR-ZIAGYGMSSA-N 0 1 365.361 0.515 10 5 FCBEMN CN(C)c1cccc(CCC(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001530598474 1267111077 /nfs/dbraw/zinc/11/10/77/1267111077.db2.gz NCSYJZBYYJUERY-HZPDHXFCSA-N 0 1 360.414 0.677 10 5 FCBEMN CCC(CC)(CC)C(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001334665051 1267127021 /nfs/dbraw/zinc/12/70/21/1267127021.db2.gz QHDPVWMGVWIWEM-CHWSQXEVSA-N 0 1 355.435 0.948 10 5 FCBEMN CCOc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)[nH]n1 ZINC001531601078 1267142627 /nfs/dbraw/zinc/14/26/27/1267142627.db2.gz KIGIYPYZALHZMD-ZYHUDNBSSA-N 0 1 365.390 0.632 10 5 FCBEMN O=C(NCCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cnc[nH]c1=O ZINC001531829656 1267151612 /nfs/dbraw/zinc/15/16/12/1267151612.db2.gz OVERPGZCGFILSY-DGCLKSJQSA-N 0 1 363.374 0.206 10 5 FCBEMN CN(CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)c1ccnn1C ZINC001532632398 1267179596 /nfs/dbraw/zinc/17/95/96/1267179596.db2.gz HAKZKTFXFMJUNV-UKRRQHHQSA-N 0 1 363.418 0.786 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nccc2cccnc21 ZINC001532968740 1267192021 /nfs/dbraw/zinc/19/20/21/1267192021.db2.gz CUYUQVFARDHAAN-CHWSQXEVSA-N 0 1 357.370 0.825 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccn(CC(F)F)n1 ZINC001532969958 1267192053 /nfs/dbraw/zinc/19/20/53/1267192053.db2.gz RXRCCPWABHIPCC-MWLCHTKSSA-N 0 1 359.333 0.344 10 5 FCBEMN COCCC(=O)N(CCOC)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001536188718 1267319900 /nfs/dbraw/zinc/31/99/00/1267319900.db2.gz VXIRWGPKXMQBHJ-ZIAGYGMSSA-N 0 1 357.407 0.154 10 5 FCBEMN CN(C(=O)CCCNC(=O)C(C)(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001536460858 1267327606 /nfs/dbraw/zinc/32/76/06/1267327606.db2.gz YTRCEDPMUBWPRD-CHWSQXEVSA-N 0 1 368.434 0.263 10 5 FCBEMN CC1(CNC(=O)CCCC(N)=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001537135802 1267357723 /nfs/dbraw/zinc/35/77/23/1267357723.db2.gz JUNNSQRBYDFTDL-VXGBXAGGSA-N 0 1 354.407 0.052 10 5 FCBEMN COc1cc(CCNC(=O)[C@@]2(C)C[C@@H](O)CN2C)c([N+](=O)[O-])cc1OC ZINC001540521248 1267450081 /nfs/dbraw/zinc/45/00/81/1267450081.db2.gz WJBGSQYLLQVSCG-SJKOYZFVSA-N 0 1 367.402 0.726 10 5 FCBEMN CC(C)(C)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001542190741 1267491125 /nfs/dbraw/zinc/49/11/25/1267491125.db2.gz WEIABKXUFXPBNY-UHFFFAOYSA-N 0 1 370.431 0.799 10 5 FCBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 ZINC001339367701 1268221391 /nfs/dbraw/zinc/22/13/91/1268221391.db2.gz DSWPKQFCMHYVHU-TURQNECASA-N 0 1 356.322 0.620 10 5 FCBEMN O=C(CCc1ncc[nH]1)N1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340362900 1268523058 /nfs/dbraw/zinc/52/30/58/1268523058.db2.gz ALWZRVIKCIPKAE-ZIAGYGMSSA-N 0 1 361.402 0.673 10 5 FCBEMN Cc1ncc(CC(=O)NCCC2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001340384057 1268530055 /nfs/dbraw/zinc/53/00/55/1268530055.db2.gz OUCHZBSWQNXJLV-HUUCEWRRSA-N 0 1 362.386 0.856 10 5 FCBEMN O=C(NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1n[nH]c2c1CCC2 ZINC001340528745 1268577817 /nfs/dbraw/zinc/57/78/17/1268577817.db2.gz SGNAQNOFAHMGGT-DGCLKSJQSA-N 0 1 361.402 0.580 10 5 FCBEMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC(O)(c2nn[nH]n2)CC1 ZINC001556348608 1268846759 /nfs/dbraw/zinc/84/67/59/1268846759.db2.gz SALVANOKIFUSBJ-UHFFFAOYSA-N 0 1 364.337 0.690 10 5 FCBEMN CCN1CC[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001557064598 1268924344 /nfs/dbraw/zinc/92/43/44/1268924344.db2.gz CMTKORBXXBHSJM-AWEZNQCLSA-N 0 1 370.431 0.426 10 5 FCBEMN O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC001557122555 1268929438 /nfs/dbraw/zinc/92/94/38/1268929438.db2.gz MBKUCLYAJNBJCY-ZDUSSCGKSA-N 0 1 368.357 0.982 10 5 FCBEMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCOC[C@@H]1c1nn[nH]n1 ZINC001557850904 1268981467 /nfs/dbraw/zinc/98/14/67/1268981467.db2.gz HZIUBDZKJVWBGB-LLVKDONJSA-N 0 1 352.738 0.904 10 5 FCBEMN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001560088706 1269187134 /nfs/dbraw/zinc/18/71/34/1269187134.db2.gz PUGBNMNKVAQHMA-ZYHUDNBSSA-N 0 1 365.312 0.295 10 5 FCBEMN O=C(NCCN1CCN(Cc2ccc(F)cc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001566649287 1269654674 /nfs/dbraw/zinc/65/46/74/1269654674.db2.gz OPAIFSRUTIOEKI-GDBMZVCRSA-N 0 1 368.384 0.864 10 5 FCBEMN COc1ccc(C)cc1NC(=O)CN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001567281378 1269684845 /nfs/dbraw/zinc/68/48/45/1269684845.db2.gz LLOXVOXNWNKPCM-TZMCWYRMSA-N 0 1 364.402 0.655 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NC1CCCCCC1 ZINC001567333256 1269690009 /nfs/dbraw/zinc/69/00/09/1269690009.db2.gz PAHHMNKDUNDYCH-HUUCEWRRSA-N 0 1 354.451 0.929 10 5 FCBEMN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnc2n1CCC2 ZINC001571794459 1269958309 /nfs/dbraw/zinc/95/83/09/1269958309.db2.gz LOYQPVWYQXOSML-VXGBXAGGSA-N 0 1 363.418 0.709 10 5 FCBEMN Cc1cc(C)c(C(=O)N2CC(CCO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001571883635 1269970690 /nfs/dbraw/zinc/97/06/90/1269970690.db2.gz QNXIUAYGMQZSPQ-VXGBXAGGSA-N 0 1 367.427 0.723 10 5 FCBEMN Cn1cc(C(C)(C)C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001572052597 1269990942 /nfs/dbraw/zinc/99/09/42/1269990942.db2.gz QUBYPBGUQOAJLC-FMKGYKFTSA-N 0 1 363.418 0.374 10 5 FCBEMN O=C(CCC1CCOCC1)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001572052838 1269991076 /nfs/dbraw/zinc/99/10/76/1269991076.db2.gz ZUNGZSZRVSETBO-KBUPBQIOSA-N 0 1 353.419 0.869 10 5 FCBEMN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1coc(C(N)=O)c1 ZINC001572509886 1270084076 /nfs/dbraw/zinc/08/40/76/1270084076.db2.gz WNFMFBRPXXSOOV-VXGBXAGGSA-N 0 1 366.374 0.353 10 5 FCBEMN CC(C)N(CCN(C)C(=O)CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001572508110 1270084825 /nfs/dbraw/zinc/08/48/25/1270084825.db2.gz ZDYFMYMGPDUZNB-ZIAGYGMSSA-N 0 1 351.407 0.634 10 5 FCBEMN CC(C)N(CCN(C)C(=O)c1cnc2n1CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001572508018 1270085081 /nfs/dbraw/zinc/08/50/81/1270085081.db2.gz VZZLXYROVGMKHL-CHWSQXEVSA-N 0 1 363.418 0.804 10 5 FCBEMN COCC1(CC(=O)N2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)CC1 ZINC001572650888 1270100341 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COc1nc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)co1 ZINC001286040818 1261907238 /nfs/dbraw/zinc/90/72/38/1261907238.db2.gz JVAQHHLRNRLXFO-ZYHUDNBSSA-N 0 1 366.374 0.897 10 5 FCBEMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CN2CCCC2=O)CC1 ZINC001286148284 1261918922 /nfs/dbraw/zinc/91/89/22/1261918922.db2.gz YKJLCJVJEYCQKM-CHWSQXEVSA-N 0 1 366.418 0.019 10 5 FCBEMN Cc1c(C(=O)N2CCC(C)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnn1C ZINC001286148032 1261919031 /nfs/dbraw/zinc/91/90/31/1261919031.db2.gz OZIHDZIJVIVBHC-VXGBXAGGSA-N 0 1 364.406 0.147 10 5 FCBEMN O=C(Cc1ccc(F)cn1)NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288408530 1262022003 /nfs/dbraw/zinc/02/20/03/1262022003.db2.gz OYAOBAOXMDJNRO-HUUCEWRRSA-N 0 1 362.361 0.703 10 5 FCBEMN COCCCOCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001288569419 1262024280 /nfs/dbraw/zinc/02/42/80/1262024280.db2.gz FCWIYICFGJSNAU-ZIAGYGMSSA-N 0 1 369.418 0.156 10 5 FCBEMN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)c2ccon2)CC1 ZINC001288745844 1262032057 /nfs/dbraw/zinc/03/20/57/1262032057.db2.gz OBKSREHTKHUWJA-DGCLKSJQSA-N 0 1 366.374 0.325 10 5 FCBEMN CCc1nn(C)cc1C(=O)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288772894 1262033272 /nfs/dbraw/zinc/03/32/72/1262033272.db2.gz YVXLEWGWWRLXAM-BXUZGUMPSA-N 0 1 363.418 0.664 10 5 FCBEMN C[N@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001289519863 1262235540 /nfs/dbraw/zinc/23/55/40/1262235540.db2.gz SMLCMRKRLICXBG-NSHDSACASA-N 0 1 360.370 0.791 10 5 FCBEMN O=C(c1cccnc1)N(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001290761718 1262506056 /nfs/dbraw/zinc/50/60/56/1262506056.db2.gz XMXCIMCLDDYGNX-HUUCEWRRSA-N 0 1 362.386 0.172 10 5 FCBEMN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCC[C@H]1O ZINC001290799661 1262508440 /nfs/dbraw/zinc/50/84/40/1262508440.db2.gz TYBUHZWGCRGXJU-HUUCEWRRSA-N 0 1 363.418 0.484 10 5 FCBEMN Cc1cn2ccc(C(=O)N(C)CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2n1 ZINC001294068869 1262725024 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AVXQCZMDLIXESX-CHWSQXEVSA-N 0 1 362.386 0.209 10 5 FCBEMN O=C(CCn1cccn1)N1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001297594812 1262883611 /nfs/dbraw/zinc/88/36/11/1262883611.db2.gz MUFWDCNUVZUCHG-HUUCEWRRSA-N 0 1 363.418 0.683 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2ccnc2)nc1 ZINC001298396909 1262924772 /nfs/dbraw/zinc/92/47/72/1262924772.db2.gz LIKAWMBJPXRHAZ-KOMGFDSOSA-N 0 1 370.369 0.335 10 5 FCBEMN CC(C)Oc1ccc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC001298395388 1262924853 /nfs/dbraw/zinc/92/48/53/1262924853.db2.gz BNSJKAZUEXWSIJ-SQLJOLKNSA-N 0 1 362.386 0.936 10 5 FCBEMN CC1(CNC(=O)CC2OCCCO2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001299660417 1262973941 /nfs/dbraw/zinc/97/39/41/1262973941.db2.gz BQJLJOAMNWTHGT-CHWSQXEVSA-N 0 1 369.418 0.550 10 5 FCBEMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nc(C2CC2)nn1C ZINC001484742426 1263485473 /nfs/dbraw/zinc/48/54/73/1263485473.db2.gz YABNTYMDOKOOMU-CHWSQXEVSA-N 0 1 350.423 0.638 10 5 FCBEMN CCOc1cc(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001486762202 1263550260 /nfs/dbraw/zinc/55/02/60/1263550260.db2.gz TWAYBXVMEHMOJS-GHMZBOCLSA-N 0 1 368.390 0.953 10 5 FCBEMN O=C(CCc1ccsc1)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001487036660 1263576301 /nfs/dbraw/zinc/57/63/01/1263576301.db2.gz KELHSMBGJQYJLS-CHWSQXEVSA-N 0 1 367.427 0.426 10 5 FCBEMN Cc1nc2sccn2c1C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491696464 1263612056 /nfs/dbraw/zinc/61/20/56/1263612056.db2.gz GYOHGBVMKVGKNK-NXEZZACHSA-N 0 1 351.388 0.606 10 5 FCBEMN CC(=O)Nc1ccc(C)c(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001491698589 1263612893 /nfs/dbraw/zinc/61/28/93/1263612893.db2.gz XFYSUMRIJGJSDX-HUUCEWRRSA-N 0 1 362.386 0.855 10 5 FCBEMN Cc1cc(COCC(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC001492104181 1263638347 /nfs/dbraw/zinc/63/83/47/1263638347.db2.gz UBRYPCUQEXRRLT-ZIAGYGMSSA-N 0 1 366.374 0.272 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn(C)nc1C(C)(C)C ZINC001492348939 1263648031 /nfs/dbraw/zinc/64/80/31/1263648031.db2.gz HMOGTKIRYXOSMV-DGCLKSJQSA-N 0 1 365.434 0.961 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc2[nH]c(=O)oc21 ZINC001492348969 1263649194 /nfs/dbraw/zinc/64/91/94/1263649194.db2.gz INMRNDVTJCBWFO-ZYHUDNBSSA-N 0 1 362.342 0.777 10 5 FCBEMN O=C(CC1CCOCC1)NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001493054216 1263695973 /nfs/dbraw/zinc/69/59/73/1263695973.db2.gz OVMFKEAVJLOXJQ-HUUCEWRRSA-N 0 1 353.419 0.966 10 5 FCBEMN O=C(NCCCN1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001493135270 1263704292 /nfs/dbraw/zinc/70/42/92/1263704292.db2.gz ZGOUBTPTVHYLHP-LYYZXLFJSA-N 0 1 364.446 0.348 10 5 FCBEMN CCCCn1cc(C(=O)NCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001496588198 1263885992 /nfs/dbraw/zinc/88/59/92/1263885992.db2.gz ZCRYLJJMOVMKHJ-TZMCWYRMSA-N 0 1 351.407 0.845 10 5 FCBEMN COc1ccc(NC(=O)CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001496702510 1263888931 /nfs/dbraw/zinc/88/89/31/1263888931.db2.gz TUXLCJKPLPLPRH-HUUCEWRRSA-N 0 1 364.402 0.689 10 5 FCBEMN CCN(CCNC(=O)c1cnn(CC(C)C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496925801 1263904857 /nfs/dbraw/zinc/90/48/57/1263904857.db2.gz TVEPOYQRBNMYLJ-ZIAGYGMSSA-N 0 1 351.407 0.783 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnc2n[nH]cc2c1 ZINC001497256981 1263920993 /nfs/dbraw/zinc/92/09/93/1263920993.db2.gz QGFKAEHMZXDPMK-CHWSQXEVSA-N 0 1 360.374 0.592 10 5 FCBEMN COCCOCC(=O)N(C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001497951760 1263959220 /nfs/dbraw/zinc/95/92/20/1263959220.db2.gz QNIWKXQWFZLDNM-ZIAGYGMSSA-N 0 1 357.407 0.012 10 5 FCBEMN Cc1n[nH]c(C)c1CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001499484660 1264031913 /nfs/dbraw/zinc/03/19/13/1264031913.db2.gz WIUNGWBGCJGZPV-ZIAGYGMSSA-N 0 1 363.418 0.779 10 5 FCBEMN CN(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cccc2[nH]c(=O)oc21 ZINC001501146717 1264104310 /nfs/dbraw/zinc/10/43/10/1264104310.db2.gz UBTFXUDCUKNBTR-ZYHUDNBSSA-N 0 1 362.342 0.729 10 5 FCBEMN COc1cccc(F)c1C(=O)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001501852124 1264145873 /nfs/dbraw/zinc/14/58/73/1264145873.db2.gz NIAWVNFEAIKUQA-IRSQKABVSA-N 0 1 351.334 0.902 10 5 FCBEMN COc1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001501852338 1264146160 /nfs/dbraw/zinc/14/61/60/1264146160.db2.gz PKISIEMXXJBBTG-FTYDKLPRSA-N 0 1 351.334 0.902 10 5 FCBEMN O=C(NC1(CCO)CN(C(=O)c2c(F)cccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001509164609 1264439153 /nfs/dbraw/zinc/43/91/53/1264439153.db2.gz XZGUBDCFHFVPCZ-BXKDBHETSA-N 0 1 369.324 0.323 10 5 FCBEMN CC1(C)CC(CC(=O)NC2(CCO)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001509189806 1264444821 /nfs/dbraw/zinc/44/48/21/1264444821.db2.gz BRBXEONVUNAQLG-CHWSQXEVSA-N 0 1 353.419 0.558 10 5 FCBEMN Cn1c(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)c[nH]c1=O ZINC001509272249 1264449673 /nfs/dbraw/zinc/44/96/73/1264449673.db2.gz PMVKCMGMRXLZMI-GHMZBOCLSA-N 0 1 365.390 0.340 10 5 FCBEMN CCNC(=O)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001509272946 1264450006 /nfs/dbraw/zinc/45/00/06/1264450006.db2.gz VEXQUVHKNAZMMB-CHWSQXEVSA-N 0 1 368.434 0.503 10 5 FCBEMN CN(CCOCCNC(=O)C12CCC(CC1)C2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001510208571 1264487760 /nfs/dbraw/zinc/48/77/60/1264487760.db2.gz XILWSEKILNRFCN-YXXKGXSTSA-N 0 1 353.419 0.823 10 5 FCBEMN O=C(CC1CCOCC1)NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001512617609 1264634422 /nfs/dbraw/zinc/63/44/22/1264634422.db2.gz QFOHRGHFMGQNJB-ZIAGYGMSSA-N 0 1 353.419 0.871 10 5 FCBEMN CCNC(=O)CCCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001523213439 1266612796 /nfs/dbraw/zinc/61/27/96/1266612796.db2.gz PELWREXWCZYQPD-CHWSQXEVSA-N 0 1 354.407 0.065 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(C(F)F)n(C)n1 ZINC001523406128 1266625408 /nfs/dbraw/zinc/62/54/08/1266625408.db2.gz NBPNIEAIWRBMAN-PSASIEDQSA-N 0 1 359.333 0.601 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn(C(C)C)nn1 ZINC001523872681 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ZINC001283604684 1261694745 /nfs/dbraw/zinc/69/47/45/1261694745.db2.gz KCRBAOKUZXQIAX-CHWSQXEVSA-N 0 1 360.374 0.061 10 5 FCBEMN CCN(CCCNC(=O)CN1CCCCCC1=O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283762250 1261702522 /nfs/dbraw/zinc/70/25/22/1261702522.db2.gz HUVGVMCRMHPSIG-ZIAGYGMSSA-N 0 1 368.434 0.409 10 5 FCBEMN CC(C)N(CCN(C)CC(=O)Nc1cnccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284533041 1261762897 /nfs/dbraw/zinc/76/28/97/1261762897.db2.gz DGSUTTRWGRWHEL-CHWSQXEVSA-N 0 1 364.406 0.249 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnc2nccnc2c1 ZINC001284611831 1261769673 /nfs/dbraw/zinc/76/96/73/1261769673.db2.gz IJTMKIAJOYFZDU-DGCLKSJQSA-N 0 1 358.358 0.268 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn2ccccc2n1 ZINC001284705831 1261778733 /nfs/dbraw/zinc/77/87/33/1261778733.db2.gz WTMUKXZLYPZBSD-TZMCWYRMSA-N 0 1 359.386 0.968 10 5 FCBEMN O=C(Cc1ccc2n[nH]cc2c1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284979294 1261798942 /nfs/dbraw/zinc/79/89/42/1261798942.db2.gz OYVYCXLOSJCXQO-UKRRQHHQSA-N 0 1 357.370 0.345 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)c1cc2n(n1)CCO2 ZINC001285115888 1261812217 /nfs/dbraw/zinc/81/22/17/1261812217.db2.gz NHPIOXYMEPLMPZ-ZYHUDNBSSA-N 0 1 363.374 0.100 10 5 FCBEMN Cc1n[nH]nc1C(=O)N1CCC(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285296951 1261829138 /nfs/dbraw/zinc/82/91/38/1261829138.db2.gz GFMWBYOYPHWSTD-CHWSQXEVSA-N 0 1 364.406 0.479 10 5 FCBEMN Cn1nnc2ccc(C(=O)NC/C=C\CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC001285544302 1261851131 /nfs/dbraw/zinc/85/11/31/1261851131.db2.gz KNSSJVRHDXMGPH-XFKWNRGUSA-N 0 1 358.358 0.036 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cc2c(cn1)OCCC2 ZINC001285923711 1261885141 /nfs/dbraw/zinc/88/51/41/1261885141.db2.gz MSKUCOTWTIRODR-DGCLKSJQSA-N 0 1 360.370 0.450 10 5 FCBEMN O=C(CNC(=O)C1CCCCC1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285923551 1261885579 /nfs/dbraw/zinc/88/55/79/1261885579.db2.gz KNAQSAUDAFQXEV-CHWSQXEVSA-N 0 1 366.418 0.113 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccnc(-n2cccn2)c1 ZINC001285924375 1261886915 /nfs/dbraw/zinc/88/69/15/1261886915.db2.gz YZNPRNQRMOAUDF-CHWSQXEVSA-N 0 1 370.369 0.311 10 5 FCBEMN Cn1ncc(C(=O)N2CCC(C)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1N ZINC001286148217 1261918964 /nfs/dbraw/zinc/91/89/64/1261918964.db2.gz WBABHELBOSXFOT-ZYHUDNBSSA-N 0 1 364.406 0.026 10 5 FCBEMN CC(C)N(CCN(C)C(=O)CCc1cncn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001288167703 1262009148 /nfs/dbraw/zinc/00/91/48/1262009148.db2.gz UIQNIWYWUMHNTH-HUUCEWRRSA-N 0 1 365.434 0.713 10 5 FCBEMN CC(C)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1cnccn1 ZINC001288183739 1262010946 /nfs/dbraw/zinc/01/09/46/1262010946.db2.gz MIGKLVBRYATYRY-HUUCEWRRSA-N 0 1 363.418 0.770 10 5 FCBEMN COCC1(CNC(=O)c2cn[nH]c2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001288745948 1262032272 /nfs/dbraw/zinc/03/22/72/1262032272.db2.gz RATSBRNZYKKAMG-CHWSQXEVSA-N 0 1 365.390 0.060 10 5 FCBEMN Cc1[nH]nc(C(=O)N(C)CCOCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001290551018 1262468892 /nfs/dbraw/zinc/46/88/92/1262468892.db2.gz YRIAGOMYDBSSGR-CHWSQXEVSA-N 0 1 367.406 0.239 10 5 FCBEMN Cc1cnoc1C(=O)N1CCC(N(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001290763466 1262507054 /nfs/dbraw/zinc/50/70/54/1262507054.db2.gz HLZKGUXUHKCODM-CHWSQXEVSA-N 0 1 366.374 0.074 10 5 FCBEMN O=C(CNC(=O)C1CCCC1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001293730153 1262720178 /nfs/dbraw/zinc/72/01/78/1262720178.db2.gz HSWVSGBLQDVHAW-ZIAGYGMSSA-N 0 1 366.418 0.019 10 5 FCBEMN Cc1ccn2cc(C(=O)N(C)CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])nc2c1 ZINC001294069489 1262725143 /nfs/dbraw/zinc/72/51/43/1262725143.db2.gz UBAGAGWKQFPSBL-TZMCWYRMSA-N 0 1 359.386 0.886 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(NC(C)=O)CCCC1 ZINC001294447825 1262732442 /nfs/dbraw/zinc/73/24/42/1262732442.db2.gz AOSPCSXLHDSMBN-ZIAGYGMSSA-N 0 1 368.434 0.455 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cnc(C)nc1OC ZINC001294448659 1262734136 /nfs/dbraw/zinc/73/41/36/1262734136.db2.gz OEUJLCXMPLNVPH-DGCLKSJQSA-N 0 1 365.390 0.427 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)c1cnn(C)c1 ZINC001294448795 1262734283 /nfs/dbraw/zinc/73/42/83/1262734283.db2.gz QUMRWWKGJUTNOK-ZIAGYGMSSA-N 0 1 365.434 0.718 10 5 FCBEMN COc1cc(C(=O)NCCC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001297604031 1262884960 /nfs/dbraw/zinc/88/49/60/1262884960.db2.gz GPYNASODPMAISH-VXGBXAGGSA-N 0 1 366.374 0.707 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnc2ccncc21 ZINC001298398099 1262924765 /nfs/dbraw/zinc/92/47/65/1262924765.db2.gz WLOLXYXCYNKYKM-LBIVZQTLSA-N 0 1 355.354 0.697 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2cnnc2)cc1 ZINC001298394492 1262925005 /nfs/dbraw/zinc/92/50/05/1262925005.db2.gz QRRCNAMMYFWASA-LHBIUNCVSA-N 0 1 370.369 0.335 10 5 FCBEMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC(=O)NCc2ccc(F)cc2)C1 ZINC001483863401 1263447370 /nfs/dbraw/zinc/44/73/70/1263447370.db2.gz WTELMQBCJABOBV-HUUCEWRRSA-N 0 1 364.377 0.250 10 5 FCBEMN CC(C)c1ccoc1C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001487032687 1263573524 /nfs/dbraw/zinc/57/35/24/1263573524.db2.gz PNNJLVPYYRQDMV-CHWSQXEVSA-N 0 1 365.386 0.761 10 5 FCBEMN Cc1cc(C(=O)NC2(CCO)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1C ZINC001487033272 1263573837 /nfs/dbraw/zinc/57/38/37/1263573837.db2.gz IRHWXFJQZVJNQX-ZIAGYGMSSA-N 0 1 364.402 0.000 10 5 FCBEMN CC(C)Cn1ccc(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001492350107 1263647910 /nfs/dbraw/zinc/64/79/10/1263647910.db2.gz ZVYQZXRUPCEHGK-TZMCWYRMSA-N 0 1 351.407 0.783 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nn(C)c2c1CCCC2 ZINC001492349317 1263649174 /nfs/dbraw/zinc/64/91/74/1263649174.db2.gz OJMNLIKCBRECFG-TZMCWYRMSA-N 0 1 363.418 0.542 10 5 FCBEMN CC/C=C(/C)C(=O)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001493125203 1263703290 /nfs/dbraw/zinc/70/32/90/1263703290.db2.gz JOCVPLYNLVWJNT-RZAHBXAWSA-N 0 1 352.435 0.658 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1sccc1-n1ccnn1 ZINC001496013045 1263848664 /nfs/dbraw/zinc/84/86/64/1263848664.db2.gz NASFZEUKOAECPB-MWLCHTKSSA-N 0 1 364.387 0.182 10 5 FCBEMN CN(CCNC(=O)c1cnc(OCC2CC2)cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496282862 1263870307 /nfs/dbraw/zinc/87/03/07/1263870307.db2.gz KLXWPHUZOUNMFJ-DGCLKSJQSA-N 0 1 363.374 0.119 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001496739308 1263889735 /nfs/dbraw/zinc/88/97/35/1263889735.db2.gz DERPGKRIJQNOJN-TZMCWYRMSA-N 0 1 362.386 0.908 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1[nH]nc2ccccc21 ZINC001496739398 1263890547 /nfs/dbraw/zinc/89/05/47/1263890547.db2.gz HLFDXVOMRYSRHQ-IUODEOHRSA-N 0 1 359.386 0.735 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1ccc(=O)[nH]c1 ZINC001497257505 1263921274 /nfs/dbraw/zinc/92/12/74/1263921274.db2.gz WTTJOOIOVNNEHK-CHWSQXEVSA-N 0 1 350.375 0.350 10 5 FCBEMN CN(CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(=O)Cc1ncc[nH]1 ZINC001500688989 1264081448 /nfs/dbraw/zinc/08/14/48/1264081448.db2.gz YQZQLSVRZILGJV-ZIAGYGMSSA-N 0 1 363.418 0.705 10 5 FCBEMN O=C(NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1c[nH]c(Br)c1 ZINC001501851841 1264146040 /nfs/dbraw/zinc/14/60/40/1264146040.db2.gz MGJKLWMAGIEAPN-UFLMBTITSA-N 0 1 371.191 0.845 10 5 FCBEMN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)Nc1nccs1 ZINC001502193076 1264162713 /nfs/dbraw/zinc/16/27/13/1264162713.db2.gz PLQUFAVVQISXJS-GHMZBOCLSA-N 0 1 355.420 0.527 10 5 FCBEMN CC(C)c1cnc(CNCC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001502869547 1264183258 /nfs/dbraw/zinc/18/32/58/1264183258.db2.gz UOENONVYRXNWAY-CHWSQXEVSA-N 0 1 366.418 0.906 10 5 FCBEMN O=C(NC1(CO)CCN(C/C(Cl)=C\Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001505376244 1264269947 /nfs/dbraw/zinc/26/99/47/1264269947.db2.gz IWKGTMIHTJQDEU-WHTZOINASA-N 0 1 352.218 0.914 10 5 FCBEMN Cc1cnc2cc(C(=O)NCC3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)ccn12 ZINC001506074597 1264288372 /nfs/dbraw/zinc/28/83/72/1264288372.db2.gz NRHAYRAWWSRBNV-CHWSQXEVSA-N 0 1 357.370 0.687 10 5 FCBEMN CCNC(=O)CCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001506341904 1264311573 /nfs/dbraw/zinc/31/15/73/1264311573.db2.gz SVVPNHZPHPLAFF-VXGBXAGGSA-N 0 1 354.407 0.065 10 5 FCBEMN CN(CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cn[nH]c(=O)c1 ZINC001508673038 1264418773 /nfs/dbraw/zinc/41/87/73/1264418773.db2.gz OXASFIUDKRLNQU-GHMZBOCLSA-N 0 1 351.363 0.062 10 5 FCBEMN CCC(CC)(CC)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001509162799 1264439681 /nfs/dbraw/zinc/43/96/81/1264439681.db2.gz JNWPFIXJFXVVOW-CHWSQXEVSA-N 0 1 355.435 0.948 10 5 FCBEMN Cc1c(C(=O)N(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)nnn1C ZINC001511706749 1264577895 /nfs/dbraw/zinc/57/78/95/1264577895.db2.gz LYRVJCFCKSYZOB-VXGBXAGGSA-N 0 1 352.395 0.098 10 5 FCBEMN Cn1cc(Cl)c(C(=O)NCCC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001512617924 1264634623 /nfs/dbraw/zinc/63/46/23/1264634623.db2.gz IFINQNNZXKULRW-MWLCHTKSSA-N 0 1 369.809 0.755 10 5 FCBEMN CC(=O)NCCCCCC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001523252128 1266615713 /nfs/dbraw/zinc/61/57/13/1266615713.db2.gz NLUXWFPZMSEEAM-HUUCEWRRSA-N 0 1 368.434 0.455 10 5 FCBEMN Cc1cc(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C(F)F ZINC001523405796 1266625912 /nfs/dbraw/zinc/62/59/12/1266625912.db2.gz JIBXZSNVXNSQLS-MWLCHTKSSA-N 0 1 359.333 0.830 10 5 FCBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(N(C)C)cn1 ZINC001523874252 1266664439 /nfs/dbraw/zinc/66/44/39/1266664439.db2.gz ZJRAIVPUDWZDEC-UKRRQHHQSA-N 0 1 363.418 0.781 10 5 FCBEMN COc1cc(C(=O)N(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)on1 ZINC001523998301 1266673176 /nfs/dbraw/zinc/67/31/76/1266673176.db2.gz KAAADXXVABGAGT-GHMZBOCLSA-N 0 1 352.347 0.459 10 5 FCBEMN O=C(CCCc1ccccn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001526179577 1266789093 /nfs/dbraw/zinc/78/90/93/1266789093.db2.gz OMKMPAVZEINSBG-GAGVYUBLSA-N 0 1 358.398 0.643 10 5 FCBEMN CN(CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC1 ZINC001334050618 1266794104 /nfs/dbraw/zinc/79/41/04/1266794104.db2.gz KRFIMFXIIIKKEW-CHWSQXEVSA-N 0 1 368.434 0.121 10 5 FCBEMN COc1ncccc1C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001334100086 1266822756 /nfs/dbraw/zinc/82/27/56/1266822756.db2.gz TWZYIEQMLIEALM-CHWSQXEVSA-N 0 1 364.402 0.970 10 5 FCBEMN CN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC001528110912 1266943565 /nfs/dbraw/zinc/94/35/65/1266943565.db2.gz NWKAZBLLZZGIKP-UKRRQHHQSA-N 0 1 357.370 0.930 10 5 FCBEMN CC(C)Oc1cccc(C(=O)N(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001528109699 1266944238 /nfs/dbraw/zinc/94/42/38/1266944238.db2.gz BNZFUOJEXQQGEK-DGCLKSJQSA-N 0 1 350.375 0.722 10 5 FCBEMN CCN(CCNC(=O)c1cc(C(C)C)n(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001528851991 1267001837 /nfs/dbraw/zinc/00/18/37/1267001837.db2.gz YAWMEAKQQIZLMI-BXUZGUMPSA-N 0 1 351.407 0.787 10 5 FCBEMN CCCN(CCNC(=O)Cc1c(C)noc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529558955 1267064613 /nfs/dbraw/zinc/06/46/13/1267064613.db2.gz SDENOLKDMSSOTR-ZIAGYGMSSA-N 0 1 352.391 0.854 10 5 FCBEMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cc2c([nH]1)CCOC2 ZINC001529546491 1267065966 /nfs/dbraw/zinc/06/59/66/1267065966.db2.gz UOFBNMQNTRBVKN-IUODEOHRSA-N 0 1 364.402 0.721 10 5 FCBEMN CCCN(CCNC(=O)c1cn(C)nc1CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001529595217 1267067170 /nfs/dbraw/zinc/06/71/70/1267067170.db2.gz MABVOUJLGQTUGZ-BXUZGUMPSA-N 0 1 351.407 0.616 10 5 FCBEMN CC(C)n1cc(C(=O)N(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)nn1 ZINC001529758795 1267072657 /nfs/dbraw/zinc/07/26/57/1267072657.db2.gz HMNKEOSRSCNINM-DGCLKSJQSA-N 0 1 350.379 0.245 10 5 FCBEMN Cc1cc(CC(=O)N(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)no1 ZINC001529931950 1267086472 /nfs/dbraw/zinc/08/64/72/1267086472.db2.gz VVPBXJIYWMSCIW-ZIAGYGMSSA-N 0 1 352.391 0.934 10 5 FCBEMN COCCOCC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001532044112 1267158468 /nfs/dbraw/zinc/15/84/68/1267158468.db2.gz OPDODSVSXAUPPJ-ZIAGYGMSSA-N 0 1 369.418 0.156 10 5 FCBEMN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N(C)c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001532085656 1267159502 /nfs/dbraw/zinc/15/95/02/1267159502.db2.gz SJNGUOJELSESDP-LBPRGKRZSA-N 0 1 359.346 0.684 10 5 FCBEMN O=C(NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)NC(=O)C2 ZINC001533490562 1267219528 /nfs/dbraw/zinc/21/95/28/1267219528.db2.gz AKTLCFYPYVCNGQ-ZBHKTDLZSA-N 0 1 358.354 0.249 10 5 FCBEMN O=C(Cc1c(F)cccc1F)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001535254557 1267286317 /nfs/dbraw/zinc/28/63/17/1267286317.db2.gz GAJXFTYYSFOUCK-ZWNOBZJWSA-N 0 1 353.325 0.938 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ncn(-c2ccccc2)n1 ZINC001535254838 1267286439 /nfs/dbraw/zinc/28/64/39/1267286439.db2.gz NIZGAXOVEQJDHU-CHWSQXEVSA-N 0 1 370.369 0.311 10 5 FCBEMN CCn1nc(C)c(CC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC001535255335 1267288053 /nfs/dbraw/zinc/28/80/53/1267288053.db2.gz WIRCPKGIFCJGHU-ZIAGYGMSSA-N 0 1 363.418 0.493 10 5 FCBEMN Cc1ccc2nc(C(=O)NCC3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)cn2c1 ZINC001535572340 1267302818 /nfs/dbraw/zinc/30/28/18/1267302818.db2.gz DLDOAILVXZDWDQ-DGCLKSJQSA-N 0 1 357.370 0.687 10 5 FCBEMN Cn1cc(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C(C)(C)C)n1 ZINC001535755913 1267308792 /nfs/dbraw/zinc/30/87/92/1267308792.db2.gz ORZNMHHZSNBVEW-ZYHUDNBSSA-N 0 1 363.418 0.761 10 5 FCBEMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001537128632 1267355620 /nfs/dbraw/zinc/35/56/20/1267355620.db2.gz LHIWOIHJVSGJLG-RGDJUOJXSA-N 0 1 351.403 0.289 10 5 FCBEMN COc1cc(CCNC(=O)[C@@]2(C)C[C@H](O)CN2C)c([N+](=O)[O-])cc1OC ZINC001540521249 1267450545 /nfs/dbraw/zinc/45/05/45/1267450545.db2.gz WJBGSQYLLQVSCG-YVEFUNNKSA-N 0 1 367.402 0.726 10 5 FCBEMN CC(C)N(CCN(C)C(=O)CCn1ccnn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001338730028 1268066441 /nfs/dbraw/zinc/06/64/41/1268066441.db2.gz CQXYOWPXRZFQIL-CHWSQXEVSA-N 0 1 352.395 0.029 10 5 FCBEMN COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ncccc1F ZINC001338982769 1268138026 /nfs/dbraw/zinc/13/80/26/1268138026.db2.gz YTXPQUFTAUWNIN-ZYHUDNBSSA-N 0 1 354.338 0.091 10 5 FCBEMN CCc1cc(C(=O)N2CC=C(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]n1 ZINC001340362845 1268522762 /nfs/dbraw/zinc/52/27/62/1268522762.db2.gz AFMMFGIZKVOHBZ-UKRRQHHQSA-N 0 1 361.402 0.916 10 5 FCBEMN CCc1cc(C(=O)N2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC001340362845 1268522772 /nfs/dbraw/zinc/52/27/72/1268522772.db2.gz AFMMFGIZKVOHBZ-UKRRQHHQSA-N 0 1 361.402 0.916 10 5 FCBEMN CCOCC(=O)NCC1(COC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340474377 1268560774 /nfs/dbraw/zinc/56/07/74/1268560774.db2.gz DTFGEWXARYKNGC-CHWSQXEVSA-N 0 1 357.407 0.060 10 5 FCBEMN Cc1nn(C)c(C)c1C(=O)NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340526535 1268576434 /nfs/dbraw/zinc/57/64/34/1268576434.db2.gz AFSPNYVRWXIFBQ-CHWSQXEVSA-N 0 1 363.418 0.718 10 5 FCBEMN CCN1CC[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001557064599 1268923961 /nfs/dbraw/zinc/92/39/61/1268923961.db2.gz CMTKORBXXBHSJM-CQSZACIVSA-N 0 1 370.431 0.426 10 5 FCBEMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c1[N+](=O)[O-] ZINC001558059414 1269015884 /nfs/dbraw/zinc/01/58/84/1269015884.db2.gz FEJYHVAVRFOGSO-BXKDBHETSA-N 0 1 351.363 0.561 10 5 FCBEMN CCn1ncnc1CN1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001569700148 1269798612 /nfs/dbraw/zinc/79/86/12/1269798612.db2.gz PVTSYSJUBPKVPX-CHWSQXEVSA-N 0 1 350.423 0.682 10 5 FCBEMN CN(CC(C)(C)CNC(=O)c1cnc2n1CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001571792219 1269956029 /nfs/dbraw/zinc/95/60/29/1269956029.db2.gz IQHTWWUYLRRGHB-VXGBXAGGSA-N 0 1 363.418 0.709 10 5 FCBEMN Cc1c(C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cnn1C ZINC001571788584 1269956888 /nfs/dbraw/zinc/95/68/88/1269956888.db2.gz PQCLKGSJDIGSAR-DGCLKSJQSA-N 0 1 351.407 0.608 10 5 FCBEMN CC(C)(CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001571883572 1269970215 /nfs/dbraw/zinc/97/02/15/1269970215.db2.gz OGCVMAVPFOMUIB-CHWSQXEVSA-N 0 1 353.419 0.558 10 5 FCBEMN Cc1nc(C(=O)NCCOCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001572184661 1270004695 /nfs/dbraw/zinc/00/46/95/1270004695.db2.gz PSSPFEWVKZKMSV-VXGBXAGGSA-N 0 1 354.363 0.161 10 5 FCBEMN Cc1nn(C)c(F)c1C(=O)N(CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001572510889 1270083960 /nfs/dbraw/zinc/08/39/60/1270083960.db2.gz XDFZYFIYJASGOD-VXGBXAGGSA-N 0 1 369.397 0.842 10 5 FCBEMN COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(Cl)[nH]1 ZINC001572539100 1270090394 /nfs/dbraw/zinc/09/03/94/1270090394.db2.gz BRUAJXSBUMVKOZ-MWLCHTKSSA-N 0 1 358.782 0.538 10 5 FCBEMN O=C(NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1cncc(F)c1 ZINC001572713277 1270111036 /nfs/dbraw/zinc/11/10/36/1270111036.db2.gz DPJFHRJEZLZGTR-CHWSQXEVSA-N 0 1 350.350 0.902 10 5 FCBEMN O=C(NCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccnn1C(F)F ZINC001572714926 1270111652 /nfs/dbraw/zinc/11/16/52/1270111652.db2.gz NPXZOHQUGDJDFM-MWLCHTKSSA-N 0 1 371.344 0.960 10 5 FCBEMN Cc1nc(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001573156391 1270617977 /nfs/dbraw/zinc/61/79/77/1270617977.db2.gz SBSLYFLIPACNJR-LYIQGSDWSA-N 0 1 352.416 0.670 10 5 FCBEMN Cc1cc(C)c(C(=O)N(C)CCOCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])[nH]1 ZINC001573409265 1270772844 /nfs/dbraw/zinc/77/28/44/1270772844.db2.gz VNBGIARIXOUMBP-ZIAGYGMSSA-N 0 1 366.418 0.844 10 5 FCBEMN Cc1nn(CC(F)F)cc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001580759647 1278883530 /nfs/dbraw/zinc/88/35/30/1278883530.db2.gz FQRXSDGIBWOSOX-MWLCHTKSSA-N 0 1 359.333 0.310 10 5 FCBEMN CCN(CCCNC(=O)c1cccc(OC)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001577657080 1274661873 /nfs/dbraw/zinc/66/18/73/1274661873.db2.gz VPUABLWIRBYFLU-DGCLKSJQSA-N 0 1 350.375 0.724 10 5 FCBEMN Cc1c[nH]cc1C(=O)NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001577834811 1274947751 /nfs/dbraw/zinc/94/77/51/1274947751.db2.gz WHWSYSIGJCHICD-UKRRQHHQSA-N 0 1 363.418 0.252 10 5 FCBEMN O=C(NCCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1(C2CC2)CC1 ZINC001577834367 1274948487 /nfs/dbraw/zinc/94/84/87/1274948487.db2.gz FWEBSRCZRZVHOM-HUUCEWRRSA-N 0 1 364.446 0.492 10 5 FCBEMN CCC1(C(=O)N2CCN(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC001577856783 1275013061 /nfs/dbraw/zinc/01/30/61/1275013061.db2.gz YJCPYTFYDNUICN-ZIAGYGMSSA-N 0 1 352.435 0.492 10 5 FCBEMN CN(CCNC(=O)c1ccnc(C(F)(F)F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001581001646 1279217548 /nfs/dbraw/zinc/21/75/48/1279217548.db2.gz HLAPSBLYJIVHTI-NXEZZACHSA-N 0 1 360.292 0.954 10 5 FCBEMN CC(C)N(C(=O)CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCCC1 ZINC001714965371 1287339849 /nfs/dbraw/zinc/33/98/49/1287339849.db2.gz VLJLBAHYBOBVCO-HZPDHXFCSA-N 0 1 366.462 0.879 10 5 FCBEMN CC(C)CN(C(=O)CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC001716741263 1287388758 /nfs/dbraw/zinc/38/87/58/1287388758.db2.gz SIRCMAOOZGLGSC-HUUCEWRRSA-N 0 1 352.435 0.441 10 5 FCBEMN O=C(NCCN(C(=O)c1cnn2ccccc12)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001581468614 1280001601 /nfs/dbraw/zinc/00/16/01/1280001601.db2.gz XJSIBIANFJQPNX-IUODEOHRSA-N 0 1 357.370 0.720 10 5 FCBEMN O=C(NCCN(C(=O)c1cn2ccccc2n1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001581468582 1280001855 /nfs/dbraw/zinc/00/18/55/1280001855.db2.gz WAMUTBAZEAUZGW-TZMCWYRMSA-N 0 1 357.370 0.720 10 5 FCBEMN O=C(NCC1(O)CN(CCOc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001716936334 1287397725 /nfs/dbraw/zinc/39/77/25/1287397725.db2.gz LAPNVXQOJAYFBP-ZIAGYGMSSA-N 0 1 353.350 0.033 10 5 FCBEMN O=C(NCC1(O)CN(CCCOc2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001716936114 1287397806 /nfs/dbraw/zinc/39/78/06/1287397806.db2.gz CMHMTEFYPYRVRE-HUUCEWRRSA-N 0 1 367.377 0.423 10 5 FCBEMN CN(CC(C)(C)CNC(=O)c1ccn(C)c(=O)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001718124567 1287460744 /nfs/dbraw/zinc/46/07/44/1287460744.db2.gz RWXNDYHLYROHOW-CHWSQXEVSA-N 0 1 364.402 0.265 10 5 FCBEMN CCn1ccc(C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001718124185 1287461098 /nfs/dbraw/zinc/46/10/98/1287461098.db2.gz FAPWLZYDQQDQGP-DGCLKSJQSA-N 0 1 351.407 0.783 10 5 FCBEMN Cc1sccc1CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001718216211 1287477997 /nfs/dbraw/zinc/47/79/97/1287477997.db2.gz LLWJPUIXVVQKHV-CHWSQXEVSA-N 0 1 367.427 0.344 10 5 FCBEMN CC(C)(C(=O)NC1(CCO)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C(C)(F)F ZINC001718219452 1287481338 /nfs/dbraw/zinc/48/13/38/1287481338.db2.gz VCECTUKOOKEFOT-NXEZZACHSA-N 0 1 363.361 0.413 10 5 FCBEMN Cn1ccc(CC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCCC2)n1 ZINC001718234909 1287485507 /nfs/dbraw/zinc/48/55/07/1287485507.db2.gz JBXIVHMCKTUOMI-ZIAGYGMSSA-N 0 1 363.418 0.563 10 5 FCBEMN O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)c1cc[n+]([O-])cc1 ZINC001718232744 1287485702 /nfs/dbraw/zinc/48/57/02/1287485702.db2.gz QBWDZNRQHHBZOV-ZIAGYGMSSA-N 0 1 362.386 0.534 10 5 FCBEMN CN(CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccnc(F)c1 ZINC001718470696 1287504870 /nfs/dbraw/zinc/50/48/70/1287504870.db2.gz VTGWYYHCBYPRAW-VXGBXAGGSA-N 0 1 354.338 0.091 10 5 FCBEMN CN(CCC1CCN(C(=O)Cc2ncc[nH]2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001582893835 1282048356 /nfs/dbraw/zinc/04/83/56/1282048356.db2.gz POAAQUMKDYOBKR-ZIAGYGMSSA-N 0 1 363.418 0.705 10 5 FCBEMN COc1ccc(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001582946337 1282055226 /nfs/dbraw/zinc/05/52/26/1282055226.db2.gz FDECJJOLNAUCQZ-UKRRQHHQSA-N 0 1 367.377 0.959 10 5 FCBEMN Cc1nc(C)c(CC(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001582946441 1282055327 /nfs/dbraw/zinc/05/53/27/1282055327.db2.gz JPVCKWFRGPFPEH-VXGBXAGGSA-N 0 1 354.432 0.884 10 5 FCBEMN COc1cc(CC(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccc1C ZINC001585067004 1282196545 /nfs/dbraw/zinc/19/65/45/1282196545.db2.gz SHGSXTBUWYBXMS-ZIAGYGMSSA-N 0 1 361.398 0.976 10 5 FCBEMN CCOCC(=O)N(CCOC)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001585267261 1282218577 /nfs/dbraw/zinc/21/85/77/1282218577.db2.gz JZZQTMUXKJWOSO-ZIAGYGMSSA-N 0 1 357.407 0.154 10 5 FCBEMN 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BUXURWLEFCKVIJ-CHWSQXEVSA-N 0 1 351.407 0.925 10 5 FCBEMN O=C(CCOc1cccc(F)c1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001704567739 1286265624 /nfs/dbraw/zinc/26/56/24/1286265624.db2.gz JNMLWRHGXQRULZ-HUUCEWRRSA-N 0 1 365.361 0.834 10 5 FCBEMN Cc1nc(C)c(CC(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001705034651 1286337328 /nfs/dbraw/zinc/33/73/28/1286337328.db2.gz DRHDFNMCYWNEHQ-BLDJZWNYSA-N 0 1 352.416 0.756 10 5 FCBEMN Cn1nc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC001705035780 1286338100 /nfs/dbraw/zinc/33/81/00/1286338100.db2.gz RKQKKBLJLGHLBD-BSWNYTGASA-N 0 1 357.370 0.641 10 5 FCBEMN CCc1c(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nnn1CC ZINC001720480676 1288232963 /nfs/dbraw/zinc/23/29/63/1288232963.db2.gz YBYLAOQURHWBRT-ZYHUDNBSSA-N 0 1 352.395 0.104 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Cc1[nH]nc2c1CCCC2 ZINC001720479845 1288232996 /nfs/dbraw/zinc/23/29/96/1288232996.db2.gz DJVWENYPMPKQFJ-IUODEOHRSA-N 0 1 363.418 0.461 10 5 FCBEMN 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ZINC001721123223 1288297522 /nfs/dbraw/zinc/29/75/22/1288297522.db2.gz SISSPDAEGCJBKN-UKRRQHHQSA-N 0 1 357.370 0.930 10 5 FCBEMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1nnn(C(C)C)c1C ZINC001721143733 1288299292 /nfs/dbraw/zinc/29/92/92/1288299292.db2.gz MRGJLZWHWMMENH-VXGBXAGGSA-N 0 1 352.395 0.411 10 5 FCBEMN CCN(CCNC(=O)c1sc(N(C)C)nc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721146199 1288299484 /nfs/dbraw/zinc/29/94/84/1288299484.db2.gz YAKYREDPDCMTDH-GHMZBOCLSA-N 0 1 369.447 0.761 10 5 FCBEMN Cc1nn(C)cc1CCC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001721230965 1288316390 /nfs/dbraw/zinc/31/63/90/1288316390.db2.gz VDJGVBNEGRLFEF-HUUCEWRRSA-N 0 1 363.418 0.434 10 5 FCBEMN O=C(NCCN(C(=O)c1cccc2nc[nH]c21)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001721231188 1288316882 /nfs/dbraw/zinc/31/68/82/1288316882.db2.gz ZISGXSYYLAKAJO-TZMCWYRMSA-N 0 1 357.370 0.949 10 5 FCBEMN O=C(CCn1cc(Cl)cn1)NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001721399124 1288334463 /nfs/dbraw/zinc/33/44/63/1288334463.db2.gz MWZLQGZBZGZIBE-VXGBXAGGSA-N 0 1 355.782 0.166 10 5 FCBEMN O=C(CCCn1cncn1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001721525522 1288346527 /nfs/dbraw/zinc/34/65/27/1288346527.db2.gz BZBXSNORIOOSER-CHWSQXEVSA-N 0 1 364.406 0.269 10 5 FCBEMN CC(C)Cn1ccc(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001721705722 1288369460 /nfs/dbraw/zinc/36/94/60/1288369460.db2.gz JLIWDWWCZIKYNF-TZMCWYRMSA-N 0 1 351.407 0.735 10 5 FCBEMN COCc1ccccc1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721705581 1288369512 /nfs/dbraw/zinc/36/95/12/1288369512.db2.gz CVCONFHIPXCLGR-HZPDHXFCSA-N 0 1 363.414 0.958 10 5 FCBEMN CN(C)c1ccc(C(=O)NC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001721853764 1288385971 /nfs/dbraw/zinc/38/59/71/1288385971.db2.gz HEYXMLIVFBFUAX-PRXHZCDDSA-N 0 1 364.377 0.959 10 5 FCBEMN Cn1cc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C(F)F)n1 ZINC001721853644 1288386007 /nfs/dbraw/zinc/38/60/07/1288386007.db2.gz GXSLRSFYTQJTEG-XPDWMRMNSA-N 0 1 357.317 0.425 10 5 FCBEMN 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ZINC001726038876 1288489135 /nfs/dbraw/zinc/48/91/35/1288489135.db2.gz QWNQMRULIFDGLC-CHWSQXEVSA-N 0 1 351.403 0.312 10 5 FCBEMN CN(C(=O)CCCn1ccnc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001726337583 1288504270 /nfs/dbraw/zinc/50/42/70/1288504270.db2.gz FYRXABRFIZYWGL-HUUCEWRRSA-N 0 1 363.418 0.778 10 5 FCBEMN CC(C)(C)n1nnc(CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)n1 ZINC001733716488 1288626500 /nfs/dbraw/zinc/62/65/00/1288626500.db2.gz MHFYRCCIBYBRLN-GHMZBOCLSA-N 0 1 351.411 0.222 10 5 FCBEMN O=C(NC1(CCO)CN(Cc2nc3ccccc3o2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001734070173 1288639725 /nfs/dbraw/zinc/63/97/25/1288639725.db2.gz BBJATFUVBOFRSV-DGCLKSJQSA-N 0 1 360.370 0.546 10 5 FCBEMN CC(C)c1cc(C(=O)NC2(CCO)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001734821520 1288681741 /nfs/dbraw/zinc/68/17/41/1288681741.db2.gz VJRLHRJQFBBPEL-ZYHUDNBSSA-N 0 1 366.374 0.156 10 5 FCBEMN O=C(NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1)C1=CCOCC1 ZINC001734842371 1288688830 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JLYCQFZPKPAMGY-HUUCEWRRSA-N 0 1 351.403 0.743 10 5 FCBEMN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCCF)CC1 ZINC001735637292 1288761135 /nfs/dbraw/zinc/76/11/35/1288761135.db2.gz RBUYNMOJSDGJLE-CHWSQXEVSA-N 0 1 359.398 0.773 10 5 FCBEMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc2nnn(C)c2c1 ZINC001737133335 1289512178 /nfs/dbraw/zinc/51/21/78/1289512178.db2.gz YBCAGVZXHNATSH-DGCLKSJQSA-N 0 1 360.374 0.212 10 5 FCBEMN CCN(CCCNC(=O)c1nnn(C(C)(C)C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001737265318 1289522760 /nfs/dbraw/zinc/52/27/60/1289522760.db2.gz XEOVIIVGFJEOOD-GHMZBOCLSA-N 0 1 367.410 0.062 10 5 FCBEMN CC(C)(C)/C=C\C(=O)N1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001737331364 1289530210 /nfs/dbraw/zinc/53/02/10/1289530210.db2.gz LWJLMZXJBLNNFA-JBZXTQMFSA-N 0 1 366.462 0.904 10 5 FCBEMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CNC(C)=O)CC1 ZINC001737369951 1289537102 /nfs/dbraw/zinc/53/71/02/1289537102.db2.gz QPNLUIQTMNTDKS-ZIAGYGMSSA-N 0 1 354.407 0.017 10 5 FCBEMN 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