smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000052392841 1072466546 /nfs/dbraw/zinc/46/65/46/1072466546.db2.gz VMUBXPDNHVBHML-NSHDSACASA-N 0 1 385.446 -0.254 20 5 GBBDMN CN(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000052392844 1072466615 /nfs/dbraw/zinc/46/66/15/1072466615.db2.gz VMUBXPDNHVBHML-LLVKDONJSA-N 0 1 385.446 -0.254 20 5 GBBDMN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000052995342 1073016138 /nfs/dbraw/zinc/01/61/38/1073016138.db2.gz APBZQEAEDPODNG-SECBINFHSA-N 0 1 395.397 -0.154 20 5 GBBDMN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000052995343 1073016017 /nfs/dbraw/zinc/01/60/17/1073016017.db2.gz APBZQEAEDPODNG-VIFPVBQESA-N 0 1 395.397 -0.154 20 5 GBBDMN Cn1cc(CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000067450528 1073196873 /nfs/dbraw/zinc/19/68/73/1073196873.db2.gz IBFDIZVWZASRMA-UHFFFAOYSA-N 0 1 397.413 -0.940 20 5 GBBDMN Cn1cc(CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000067450578 1073196909 /nfs/dbraw/zinc/19/69/09/1073196909.db2.gz XYXYUXWUZVRBIU-UHFFFAOYSA-N 0 1 397.413 -0.940 20 5 GBBDMN CS(=O)(=O)c1ccc(NCCNC(=O)C[C@@H]2COCCN2)c([N+](=O)[O-])c1 ZINC000262033781 1072481284 /nfs/dbraw/zinc/48/12/84/1072481284.db2.gz FIVSOVGOAKZCOA-LLVKDONJSA-N 0 1 386.430 -0.095 20 5 GBBDMN CS(=O)(=O)c1ccc(NCCNC(=O)C[C@H]2COCCN2)c([N+](=O)[O-])c1 ZINC000262033783 1072481123 /nfs/dbraw/zinc/48/11/23/1072481123.db2.gz FIVSOVGOAKZCOA-NSHDSACASA-N 0 1 386.430 -0.095 20 5 GBBDMN O=C(C[C@@H]1COCCN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262058255 1072482045 /nfs/dbraw/zinc/48/20/45/1072482045.db2.gz IFORSSWVPYOYBC-CYBMUJFWSA-N 0 1 398.441 -0.194 20 5 GBBDMN O=C(C[C@H]1COCCN1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262058256 1072482293 /nfs/dbraw/zinc/48/22/93/1072482293.db2.gz IFORSSWVPYOYBC-ZDUSSCGKSA-N 0 1 398.441 -0.194 20 5 GBBDMN O=C(C[C@@H]1COCCN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262231142 1072528572 /nfs/dbraw/zinc/52/85/72/1072528572.db2.gz QKWVFSLQCZUXRN-CYBMUJFWSA-N 0 1 398.441 -0.194 20 5 GBBDMN O=C(C[C@H]1COCCN1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262231144 1072529016 /nfs/dbraw/zinc/52/90/16/1072529016.db2.gz QKWVFSLQCZUXRN-ZDUSSCGKSA-N 0 1 398.441 -0.194 20 5 GBBDMN O=C(C[C@@H]1COCCN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262269559 1072596456 /nfs/dbraw/zinc/59/64/56/1072596456.db2.gz VMDDCLGCLWMLNE-CYBMUJFWSA-N 0 1 398.441 -0.194 20 5 GBBDMN O=C(C[C@H]1COCCN1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262269564 1072596371 /nfs/dbraw/zinc/59/63/71/1072596371.db2.gz VMDDCLGCLWMLNE-ZDUSSCGKSA-N 0 1 398.441 -0.194 20 5 GBBDMN Cc1n[nH]c(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1[N+](=O)[O-] ZINC000265093051 1073610954 /nfs/dbraw/zinc/61/09/54/1073610954.db2.gz DBFZUWOBXSJHDB-UHFFFAOYSA-N 0 1 380.390 -0.126 20 5 GBBDMN C[C@H](CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C)CC1 ZINC000265116798 1073644262 /nfs/dbraw/zinc/64/42/62/1073644262.db2.gz MLDWWMNZYVGSNB-GFCCVEGCSA-N 0 1 389.412 -0.057 20 5 GBBDMN COC[C@H](O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000265464790 530209465 /nfs/dbraw/zinc/20/94/65/530209465.db2.gz OAAWBBNZDFHDOK-LLVKDONJSA-N 0 1 376.435 -0.146 20 5 GBBDMN COC[C@@H](O)CNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000265464791 530209166 /nfs/dbraw/zinc/20/91/66/530209166.db2.gz OAAWBBNZDFHDOK-NSHDSACASA-N 0 1 376.435 -0.146 20 5 GBBDMN CN(C)CCNS(=O)(=O)c1ccc(NCCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000266235697 530263464 /nfs/dbraw/zinc/26/34/64/530263464.db2.gz VMRPVAOZNLSSQA-UHFFFAOYSA-N 0 1 394.475 -0.109 20 5 GBBDMN COCCCS(=O)(=O)N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000269366024 530303029 /nfs/dbraw/zinc/30/30/29/530303029.db2.gz QUDVSPSNBMPVFU-UHFFFAOYSA-N 0 1 375.407 -0.250 20 5 GBBDMN CCN(CCO)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000274379385 530130933 /nfs/dbraw/zinc/13/09/33/530130933.db2.gz IQIIPWTZFSQTEC-UHFFFAOYSA-N 0 1 375.403 -0.042 20 5 GBBDMN CCN(CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000274419726 530147718 /nfs/dbraw/zinc/14/77/18/530147718.db2.gz QAKZQZIGMHYRNK-UHFFFAOYSA-N 0 1 375.403 -0.026 20 5 GBBDMN C[C@@H](CN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000274797665 1072189555 /nfs/dbraw/zinc/18/95/55/1072189555.db2.gz RQUXTLWPJGRFLW-JTQLQIEISA-N 0 1 397.417 -0.010 20 5 GBBDMN C[C@H](CN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000274797666 1072189648 /nfs/dbraw/zinc/18/96/48/1072189648.db2.gz RQUXTLWPJGRFLW-SNVBAGLBSA-N 0 1 397.417 -0.010 20 5 GBBDMN CN1CCN(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000275832530 1072445877 /nfs/dbraw/zinc/44/58/77/1072445877.db2.gz CNURZIODHPHTQJ-UHFFFAOYSA-N 0 1 386.430 -0.108 20 5 GBBDMN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000276140722 1072568177 /nfs/dbraw/zinc/56/81/77/1072568177.db2.gz DVLWTSMQFHVFFC-UHFFFAOYSA-N 0 1 390.356 -0.597 20 5 GBBDMN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCN(C)CC1 ZINC000276414263 1072619020 /nfs/dbraw/zinc/61/90/20/1072619020.db2.gz BQUMYVPFXLXVFG-UHFFFAOYSA-N 0 1 386.430 -0.093 20 5 GBBDMN CCN(CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276442036 530270387 /nfs/dbraw/zinc/27/03/87/530270387.db2.gz YDQRZRJHUPLOGW-UHFFFAOYSA-N 0 1 375.403 -0.026 20 5 GBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000276458556 1072626815 /nfs/dbraw/zinc/62/68/15/1072626815.db2.gz ICHRQVCGWACTOU-KBPBESRZSA-N 0 1 385.398 -0.784 20 5 GBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000276458557 1072626580 /nfs/dbraw/zinc/62/65/80/1072626580.db2.gz ICHRQVCGWACTOU-KGLIPLIRSA-N 0 1 385.398 -0.784 20 5 GBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000276458559 1072627020 /nfs/dbraw/zinc/62/70/20/1072627020.db2.gz ICHRQVCGWACTOU-UONOGXRCSA-N 0 1 385.398 -0.784 20 5 GBBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000276458562 1072626612 /nfs/dbraw/zinc/62/66/12/1072626612.db2.gz ICHRQVCGWACTOU-ZIAGYGMSSA-N 0 1 385.398 -0.784 20 5 GBBDMN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CCN(C)CC1 ZINC000276805683 1072227685 /nfs/dbraw/zinc/22/76/85/1072227685.db2.gz ZQFUHYZCMJSJND-UHFFFAOYSA-N 0 1 386.430 -0.093 20 5 GBBDMN CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000276940100 530132236 /nfs/dbraw/zinc/13/22/36/530132236.db2.gz APSFXNYWTAPEFN-UHFFFAOYSA-N 0 1 384.411 -0.155 20 5 GBBDMN CN1CCN(CCNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000279074165 1073641039 /nfs/dbraw/zinc/64/10/39/1073641039.db2.gz DFFMCSSTTRJVQA-UHFFFAOYSA-N 0 1 375.385 -0.446 20 5 GBBDMN C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000280748796 1072161276 /nfs/dbraw/zinc/16/12/76/1072161276.db2.gz KGZJIUYAGAVGBI-CYBMUJFWSA-N 0 1 399.473 -0.375 20 5 GBBDMN C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000280748802 1072161363 /nfs/dbraw/zinc/16/13/63/1072161363.db2.gz KGZJIUYAGAVGBI-ZDUSSCGKSA-N 0 1 399.473 -0.375 20 5 GBBDMN C[C@H](CN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280837404 1073191823 /nfs/dbraw/zinc/19/18/23/1073191823.db2.gz UNCMWYHZEMASMF-CYBMUJFWSA-N 0 1 399.473 -0.375 20 5 GBBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280837407 1073191971 /nfs/dbraw/zinc/19/19/71/1073191971.db2.gz UNCMWYHZEMASMF-ZDUSSCGKSA-N 0 1 399.473 -0.375 20 5 GBBDMN CNS(=O)(=O)NC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280903454 1073404844 /nfs/dbraw/zinc/40/48/44/1073404844.db2.gz FBAAGXDKRWRNJE-CYBMUJFWSA-N 0 1 388.446 -0.147 20 5 GBBDMN CNS(=O)(=O)NC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280903457 1073404618 /nfs/dbraw/zinc/40/46/18/1073404618.db2.gz FBAAGXDKRWRNJE-ZDUSSCGKSA-N 0 1 388.446 -0.147 20 5 GBBDMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000281005466 1073407568 /nfs/dbraw/zinc/40/75/68/1073407568.db2.gz DTGAJUCGOWYBIX-UHFFFAOYSA-N 0 1 396.448 -0.261 20 5 GBBDMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000281031969 1073408763 /nfs/dbraw/zinc/40/87/63/1073408763.db2.gz HZFOSWCTUZGGRF-UHFFFAOYSA-N 0 1 382.421 -0.651 20 5 GBBDMN CNS(=O)(=O)NC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000281051030 1073408684 /nfs/dbraw/zinc/40/86/84/1073408684.db2.gz QUJJTGBPNXQPNL-AWEZNQCLSA-N 0 1 388.446 -0.147 20 5 GBBDMN CNS(=O)(=O)NC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000281051031 1073408563 /nfs/dbraw/zinc/40/85/63/1073408563.db2.gz QUJJTGBPNXQPNL-CQSZACIVSA-N 0 1 388.446 -0.147 20 5 GBBDMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000281093380 1073409695 /nfs/dbraw/zinc/40/96/95/1073409695.db2.gz PFYNBUFIZSBPFI-UHFFFAOYSA-N 0 1 395.416 -0.995 20 5 GBBDMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000281168081 1073413228 /nfs/dbraw/zinc/41/32/28/1073413228.db2.gz XMWRGYOPYITSRS-UHFFFAOYSA-N 0 1 382.421 -0.570 20 5 GBBDMN COc1ccc(C(=O)NCC(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000281233751 1073416789 /nfs/dbraw/zinc/41/67/89/1073416789.db2.gz VVJQIFUVTGPQCO-UHFFFAOYSA-N 0 1 379.417 -0.303 20 5 GBBDMN COC[C@H](CO)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000290600368 530141449 /nfs/dbraw/zinc/14/14/49/530141449.db2.gz DUHMBBKHZGIGEO-NSHDSACASA-N 0 1 376.435 -0.146 20 5 GBBDMN CN(C)CCNS(=O)(=O)c1ccc(NCCOCCO)c([N+](=O)[O-])c1 ZINC000298203015 530104166 /nfs/dbraw/zinc/10/41/66/530104166.db2.gz LMMXVESVOJTPER-UHFFFAOYSA-N 0 1 376.435 -0.145 20 5 GBBDMN O=[N+]([O-])c1ccn(CCN2CCN(CCn3ccc([N+](=O)[O-])n3)CC(O)C2)n1 ZINC000366933266 1072329558 /nfs/dbraw/zinc/32/95/58/1072329558.db2.gz SZMZHVWLYMIBBR-UHFFFAOYSA-N 0 1 394.392 -0.425 20 5 GBBDMN O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000376166645 1072895509 /nfs/dbraw/zinc/89/55/09/1072895509.db2.gz NHEOSISRSLPIPR-VXGBXAGGSA-N 0 1 383.382 -0.388 20 5 GBBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000378171796 1073245067 /nfs/dbraw/zinc/24/50/67/1073245067.db2.gz SVWNHXAULLWJGW-AWEZNQCLSA-N 0 1 381.437 -0.503 20 5 GBBDMN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000378171797 1073244935 /nfs/dbraw/zinc/24/49/35/1073244935.db2.gz SVWNHXAULLWJGW-CQSZACIVSA-N 0 1 381.437 -0.503 20 5 GBBDMN C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000413452479 530222054 /nfs/dbraw/zinc/22/20/54/530222054.db2.gz OFQDHRANYDXVGF-ZWNOBZJWSA-N 0 1 376.435 -0.412 20 5 GBBDMN NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000413802493 1072330620 /nfs/dbraw/zinc/33/06/20/1072330620.db2.gz UTWHDZZTTPGGIC-GFCCVEGCSA-N 0 1 386.430 -0.181 20 5 GBBDMN NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000413802495 1072330459 /nfs/dbraw/zinc/33/04/59/1072330459.db2.gz UTWHDZZTTPGGIC-LBPRGKRZSA-N 0 1 386.430 -0.181 20 5 GBBDMN COC(=O)[C@@H]1CN(C)CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000413915191 1072338906 /nfs/dbraw/zinc/33/89/06/1072338906.db2.gz HEDHQQUGPFNFFJ-CYBMUJFWSA-N 0 1 378.385 -0.112 20 5 GBBDMN COC(=O)[C@H]1CN(C)CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000413915196 1072339533 /nfs/dbraw/zinc/33/95/33/1072339533.db2.gz HEDHQQUGPFNFFJ-ZDUSSCGKSA-N 0 1 378.385 -0.112 20 5 GBBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000415325243 1073185027 /nfs/dbraw/zinc/18/50/27/1073185027.db2.gz GRGHWVKILFMFIT-UHFFFAOYSA-N 0 1 377.401 -0.014 20 5 GBBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000415335442 1073192423 /nfs/dbraw/zinc/19/24/23/1073192423.db2.gz PQTFOQWXBLGQHW-UHFFFAOYSA-N 0 1 393.400 -0.178 20 5 GBBDMN CCN(CCO)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416468222 530359138 /nfs/dbraw/zinc/35/91/38/530359138.db2.gz YAHOOMHCMPVGBU-UHFFFAOYSA-N 0 1 375.403 -0.026 20 5 GBBDMN COC(=O)c1ccc(S(=O)(=O)NCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000416475968 1073272637 /nfs/dbraw/zinc/27/26/37/1073272637.db2.gz WDXHPBCXEWUZSV-UHFFFAOYSA-N 0 1 386.430 -0.093 20 5 GBBDMN CNC(=O)NC(=O)CCN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976402 1072305981 /nfs/dbraw/zinc/30/59/81/1072305981.db2.gz SVRDMKNFVGDMQA-UHFFFAOYSA-N 0 1 387.418 -0.349 20 5 GBBDMN CN(CCCC(=O)NC(N)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421017233 1072309333 /nfs/dbraw/zinc/30/93/33/1072309333.db2.gz LPCRIQRUECAGST-UHFFFAOYSA-N 0 1 387.418 -0.220 20 5 GBBDMN CN(CCCN1C(=O)CNC1=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421033970 1072308712 /nfs/dbraw/zinc/30/87/12/1072308712.db2.gz XZFNVWYFCUQENA-UHFFFAOYSA-N 0 1 399.429 -0.253 20 5 GBBDMN O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422275139 1072433911 /nfs/dbraw/zinc/43/39/11/1072433911.db2.gz ZYVHMSCNYIVXIU-CYBMUJFWSA-N 0 1 388.428 -0.009 20 5 GBBDMN O=C(N[C@H]1CCN(C2CC2)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422275140 1072434255 /nfs/dbraw/zinc/43/42/55/1072434255.db2.gz ZYVHMSCNYIVXIU-ZDUSSCGKSA-N 0 1 388.428 -0.009 20 5 GBBDMN COCCN(C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 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393.447 -0.437 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1 ZINC000599256987 530079871 /nfs/dbraw/zinc/07/98/71/530079871.db2.gz CTRAUSTUVKSRLQ-BDAKNGLRSA-N 0 1 381.436 -0.676 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1 ZINC000599256988 530080148 /nfs/dbraw/zinc/08/01/48/530080148.db2.gz CTRAUSTUVKSRLQ-DTWKUNHWSA-N 0 1 381.436 -0.676 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n1 ZINC000599256989 530079985 /nfs/dbraw/zinc/07/99/85/530079985.db2.gz CTRAUSTUVKSRLQ-IUCAKERBSA-N 0 1 381.436 -0.676 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n1 ZINC000599256990 530080044 /nfs/dbraw/zinc/08/00/44/530080044.db2.gz CTRAUSTUVKSRLQ-RKDXNWHRSA-N 0 1 381.436 -0.676 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCNS(=O)(=O)c2cccs2)n1 ZINC000599263516 530079894 /nfs/dbraw/zinc/07/98/94/530079894.db2.gz QJFJVMDOUDKMKC-UHFFFAOYSA-N 0 1 395.444 -0.353 20 5 GBBDMN COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599266214 530079983 /nfs/dbraw/zinc/07/99/83/530079983.db2.gz SNHYIYRFSXLDLB-JTQLQIEISA-N 0 1 377.423 -0.216 20 5 GBBDMN CCOC(=O)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCOCC1 ZINC000599267173 530080024 /nfs/dbraw/zinc/08/00/24/530080024.db2.gz SKGOMWFVGGWRKW-LLVKDONJSA-N 0 1 376.391 -0.035 20 5 GBBDMN CCOC(=O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCOCC1 ZINC000599267174 530079910 /nfs/dbraw/zinc/07/99/10/530079910.db2.gz SKGOMWFVGGWRKW-NSHDSACASA-N 0 1 376.391 -0.035 20 5 GBBDMN CCOC(=O)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000599272106 530079973 /nfs/dbraw/zinc/07/99/73/530079973.db2.gz PIORAEQYBMDFJY-GXSJLCMTSA-N 0 1 376.391 -0.035 20 5 GBBDMN CCOC(=O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000599272107 530079995 /nfs/dbraw/zinc/07/99/95/530079995.db2.gz PIORAEQYBMDFJY-KOLCDFICSA-N 0 1 376.391 -0.035 20 5 GBBDMN CCOC(=O)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000599272108 530079788 /nfs/dbraw/zinc/07/97/88/530079788.db2.gz PIORAEQYBMDFJY-MWLCHTKSSA-N 0 1 376.391 -0.035 20 5 GBBDMN CCOC(=O)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000599272109 530080076 /nfs/dbraw/zinc/08/00/76/530080076.db2.gz PIORAEQYBMDFJY-ONGXEEELSA-N 0 1 376.391 -0.035 20 5 GBBDMN CCS(=O)(=O)N1CCC(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599276928 530079865 /nfs/dbraw/zinc/07/98/65/530079865.db2.gz GHXONJFMEKHKGR-UHFFFAOYSA-N 0 1 395.463 -0.332 20 5 GBBDMN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599291879 530079979 /nfs/dbraw/zinc/07/99/79/530079979.db2.gz UOZIBFYKKCQWIA-HTQZYQBOSA-N 0 1 377.379 -0.937 20 5 GBBDMN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599291880 530080013 /nfs/dbraw/zinc/08/00/13/530080013.db2.gz UOZIBFYKKCQWIA-JGVFFNPUSA-N 0 1 377.379 -0.937 20 5 GBBDMN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599291881 530079925 /nfs/dbraw/zinc/07/99/25/530079925.db2.gz UOZIBFYKKCQWIA-SFYZADRCSA-N 0 1 377.379 -0.937 20 5 GBBDMN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599291882 530080362 /nfs/dbraw/zinc/08/03/62/530080362.db2.gz UOZIBFYKKCQWIA-YUMQZZPRSA-N 0 1 377.379 -0.937 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000599300852 530080384 /nfs/dbraw/zinc/08/03/84/530080384.db2.gz YAELHJKBDAHCBV-BDAKNGLRSA-N 0 1 381.436 -0.676 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)n1 ZINC000599300853 530080396 /nfs/dbraw/zinc/08/03/96/530080396.db2.gz YAELHJKBDAHCBV-DTWKUNHWSA-N 0 1 381.436 -0.676 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)n1 ZINC000599300854 530080368 /nfs/dbraw/zinc/08/03/68/530080368.db2.gz YAELHJKBDAHCBV-IUCAKERBSA-N 0 1 381.436 -0.676 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000599300855 530080479 /nfs/dbraw/zinc/08/04/79/530080479.db2.gz YAELHJKBDAHCBV-RKDXNWHRSA-N 0 1 381.436 -0.676 20 5 GBBDMN COC(=O)CC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCOCC1 ZINC000599302119 530080404 /nfs/dbraw/zinc/08/04/04/530080404.db2.gz FRGAYJUWRWDZRH-UHFFFAOYSA-N 0 1 376.391 -0.034 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000599316161 530080373 /nfs/dbraw/zinc/08/03/73/530080373.db2.gz LKNBVQXLEYCXFI-NXEZZACHSA-N 0 1 395.463 -0.285 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000599316162 530080346 /nfs/dbraw/zinc/08/03/46/530080346.db2.gz LKNBVQXLEYCXFI-UWVGGRQHSA-N 0 1 395.463 -0.285 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000599316163 530080518 /nfs/dbraw/zinc/08/05/18/530080518.db2.gz LKNBVQXLEYCXFI-VHSXEESVSA-N 0 1 395.463 -0.285 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000599316164 530080380 /nfs/dbraw/zinc/08/03/80/530080380.db2.gz LKNBVQXLEYCXFI-ZJUUUORDSA-N 0 1 395.463 -0.285 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000599318140 530080567 /nfs/dbraw/zinc/08/05/67/530080567.db2.gz VCTPZZOACVTTFW-SECBINFHSA-N 0 1 381.436 -0.579 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000599318141 530080382 /nfs/dbraw/zinc/08/03/82/530080382.db2.gz VCTPZZOACVTTFW-VIFPVBQESA-N 0 1 381.436 -0.579 20 5 GBBDMN COCCOC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCOCC1 ZINC000599321355 530079793 /nfs/dbraw/zinc/07/97/93/530079793.db2.gz ZSDFERBNCMQDPE-UHFFFAOYSA-N 0 1 378.407 -0.181 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000599429061 530080561 /nfs/dbraw/zinc/08/05/61/530080561.db2.gz CZQXMHAWCZVQPW-RKDXNWHRSA-N 0 1 381.436 -0.533 20 5 GBBDMN COC(=O)[C@@H](C[C@H]1CCCOC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599456480 530081010 /nfs/dbraw/zinc/08/10/10/530081010.db2.gz MBCIAFQDVYZYDL-NXEZZACHSA-N 0 1 376.391 -0.035 20 5 GBBDMN COC(=O)[C@H](C[C@@H]1CCCOC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599456481 530080771 /nfs/dbraw/zinc/08/07/71/530080771.db2.gz MBCIAFQDVYZYDL-UWVGGRQHSA-N 0 1 376.391 -0.035 20 5 GBBDMN COC(=O)[C@@H](C[C@@H]1CCCOC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599456482 530080775 /nfs/dbraw/zinc/08/07/75/530080775.db2.gz MBCIAFQDVYZYDL-VHSXEESVSA-N 0 1 376.391 -0.035 20 5 GBBDMN COC(=O)[C@H](C[C@H]1CCCOC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599456483 530080902 /nfs/dbraw/zinc/08/09/02/530080902.db2.gz MBCIAFQDVYZYDL-ZJUUUORDSA-N 0 1 376.391 -0.035 20 5 GBBDMN CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599501001 530080513 /nfs/dbraw/zinc/08/05/13/530080513.db2.gz GUCZNXSQOKMFAI-UHFFFAOYSA-N 0 1 382.395 -0.497 20 5 GBBDMN CC(C)c1[nH]nc(C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] ZINC000600729960 530100743 /nfs/dbraw/zinc/10/07/43/530100743.db2.gz BWECXOBPSXSHLO-SECBINFHSA-N 0 1 375.407 -0.169 20 5 GBBDMN CC(C)c1[nH]nc(C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c1[N+](=O)[O-] ZINC000600729962 530136442 /nfs/dbraw/zinc/13/64/42/530136442.db2.gz BWECXOBPSXSHLO-VIFPVBQESA-N 0 1 375.407 -0.169 20 5 GBBDMN O=C(Cn1cnc([N+](=O)[O-])n1)NCCCCN1CCN(c2ncccn2)CC1 ZINC000609177162 1072225206 /nfs/dbraw/zinc/22/52/06/1072225206.db2.gz UXBMVQBRDRCDBD-UHFFFAOYSA-N 0 1 389.420 -0.305 20 5 GBBDMN CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000609542477 1072233305 /nfs/dbraw/zinc/23/33/05/1072233305.db2.gz CGCKLBPAAXPQTM-NSHDSACASA-N 0 1 388.377 -0.251 20 5 GBBDMN CN(C)CCNS(=O)(=O)c1ccc(N2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000610588055 1072222615 /nfs/dbraw/zinc/22/26/15/1072222615.db2.gz AJUKIMVOUIYXGM-TXEJJXNPSA-N 0 1 388.446 -0.633 20 5 GBBDMN CCn1cc(S(=O)(=O)[N-]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])n1 ZINC000611105544 1072224586 /nfs/dbraw/zinc/22/45/86/1072224586.db2.gz GWTPRYDYLLKXLE-LLVKDONJSA-N 0 1 388.450 -0.323 20 5 GBBDMN CCn1cc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])n1 ZINC000611105544 1072224581 /nfs/dbraw/zinc/22/45/81/1072224581.db2.gz GWTPRYDYLLKXLE-LLVKDONJSA-N 0 1 388.450 -0.323 20 5 GBBDMN O=C(NCc1cnc[nH]1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611645220 1072374371 /nfs/dbraw/zinc/37/43/71/1072374371.db2.gz ZLQLBFRVGLVDGD-AAEUAGOBSA-N 0 1 395.397 -0.242 20 5 GBBDMN O=C(NCc1cnc[nH]1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611645221 1072374288 /nfs/dbraw/zinc/37/42/88/1072374288.db2.gz ZLQLBFRVGLVDGD-YPMHNXCESA-N 0 1 395.397 -0.242 20 5 GBBDMN Cc1nc(CN2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)n[nH]1 ZINC000612092730 1072403412 /nfs/dbraw/zinc/40/34/12/1072403412.db2.gz LOMXHEVHDHWENF-UHFFFAOYSA-N 0 1 381.418 -0.009 20 5 GBBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748088953 637653456 /nfs/dbraw/zinc/65/34/56/637653456.db2.gz IWUUUVAKPJLKMX-UHFFFAOYSA-N 0 1 397.406 -0.326 20 5 GBBDMN CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000819796383 606730670 /nfs/dbraw/zinc/73/06/70/606730670.db2.gz GXIZAWGARCVABP-UHFFFAOYSA-N 0 1 381.374 -0.372 20 5 GBBDMN CC(C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820132408 606730300 /nfs/dbraw/zinc/73/03/00/606730300.db2.gz JMBOSYYFLFFFAC-UHFFFAOYSA-N 0 1 383.390 -0.080 20 5 GBBDMN CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820966635 606733923 /nfs/dbraw/zinc/73/39/23/606733923.db2.gz FTKULMKTLGJMTO-MRVPVSSYSA-N 0 1 381.374 -0.326 20 5 GBBDMN CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820966643 606734278 /nfs/dbraw/zinc/73/42/78/606734278.db2.gz FTKULMKTLGJMTO-QMMMGPOBSA-N 0 1 381.374 -0.326 20 5 GBBDMN CCCN(CC(=O)NC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821087509 606732369 /nfs/dbraw/zinc/73/23/69/606732369.db2.gz CEBDZZYRCAKFCC-UHFFFAOYSA-N 0 1 383.390 -0.078 20 5 GBBDMN CCN(CC(=O)N(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821165124 606732575 /nfs/dbraw/zinc/73/25/75/606732575.db2.gz PMGQVZAEEZONOY-UHFFFAOYSA-N 0 1 383.390 -0.126 20 5 GBBDMN CCNC(=O)CN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821286874 606730556 /nfs/dbraw/zinc/73/05/56/606730556.db2.gz YSRHLKIJZDXSLP-UHFFFAOYSA-N 0 1 383.390 -0.078 20 5 GBBDMN CN(C)C(=O)CCN1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821575911 606729260 /nfs/dbraw/zinc/72/92/60/606729260.db2.gz VDMJPUYSRQHWLS-UHFFFAOYSA-N 0 1 375.393 -0.230 20 5 GBBDMN CN(CC(=O)NC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821592443 606731239 /nfs/dbraw/zinc/73/12/39/606731239.db2.gz GNVPPLYMSDETPD-UHFFFAOYSA-N 0 1 381.374 -0.326 20 5 GBBDMN CN(CCS(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821604679 606733112 /nfs/dbraw/zinc/73/31/12/606733112.db2.gz AODWBQRKTXBQDZ-UHFFFAOYSA-N 0 1 390.403 -0.560 20 5 GBBDMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821623412 607035560 /nfs/dbraw/zinc/03/55/60/607035560.db2.gz LDKZSRZTWGGUJZ-GFCCVEGCSA-N 0 1 387.404 -0.087 20 5 GBBDMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821623412 607035558 /nfs/dbraw/zinc/03/55/58/607035558.db2.gz LDKZSRZTWGGUJZ-GFCCVEGCSA-N 0 1 387.404 -0.087 20 5 GBBDMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821623413 607035600 /nfs/dbraw/zinc/03/56/00/607035600.db2.gz LDKZSRZTWGGUJZ-LBPRGKRZSA-N 0 1 387.404 -0.087 20 5 GBBDMN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821623413 607035598 /nfs/dbraw/zinc/03/55/98/607035598.db2.gz LDKZSRZTWGGUJZ-LBPRGKRZSA-N 0 1 387.404 -0.087 20 5 GBBDMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821624049 607035723 /nfs/dbraw/zinc/03/57/23/607035723.db2.gz YHLDRUPKAMUBCU-CYBMUJFWSA-N 0 1 387.404 -0.087 20 5 GBBDMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821624049 607035721 /nfs/dbraw/zinc/03/57/21/607035721.db2.gz YHLDRUPKAMUBCU-CYBMUJFWSA-N 0 1 387.404 -0.087 20 5 GBBDMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821624050 607035432 /nfs/dbraw/zinc/03/54/32/607035432.db2.gz YHLDRUPKAMUBCU-ZDUSSCGKSA-N 0 1 387.404 -0.087 20 5 GBBDMN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000821624050 607035431 /nfs/dbraw/zinc/03/54/31/607035431.db2.gz YHLDRUPKAMUBCU-ZDUSSCGKSA-N 0 1 387.404 -0.087 20 5 GBBDMN CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@H]21 ZINC000821628406 606737798 /nfs/dbraw/zinc/73/77/98/606737798.db2.gz HXJOOXNTYJBIDG-GHMZBOCLSA-N 0 1 395.401 -0.522 20 5 GBBDMN CN1CCO[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@H]21 ZINC000821628407 606737858 /nfs/dbraw/zinc/73/78/58/606737858.db2.gz HXJOOXNTYJBIDG-MNOVXSKESA-N 0 1 395.401 -0.522 20 5 GBBDMN CN1CCO[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@@H]21 ZINC000821628408 606737849 /nfs/dbraw/zinc/73/78/49/606737849.db2.gz HXJOOXNTYJBIDG-QWRGUYRKSA-N 0 1 395.401 -0.522 20 5 GBBDMN CN1CCO[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)C[C@@H]21 ZINC000821628409 606737741 /nfs/dbraw/zinc/73/77/41/606737741.db2.gz HXJOOXNTYJBIDG-WDEREUQCSA-N 0 1 395.401 -0.522 20 5 GBBDMN CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821631333 606735052 /nfs/dbraw/zinc/73/50/52/606735052.db2.gz GDCWKHNQHBRHOA-SECBINFHSA-N 0 1 395.401 -0.078 20 5 GBBDMN CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821631334 606734771 /nfs/dbraw/zinc/73/47/71/606734771.db2.gz GDCWKHNQHBRHOA-VIFPVBQESA-N 0 1 395.401 -0.078 20 5 GBBDMN CNC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821631506 606731443 /nfs/dbraw/zinc/73/14/43/606731443.db2.gz KNEKMENEMVINSJ-UHFFFAOYSA-N 0 1 395.401 -0.078 20 5 GBBDMN COC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821656045 606732758 /nfs/dbraw/zinc/73/27/58/606732758.db2.gz WPYSICUTPKHWTB-MRVPVSSYSA-N 0 1 382.358 -0.042 20 5 GBBDMN COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000821656046 606732907 /nfs/dbraw/zinc/73/29/07/606732907.db2.gz WPYSICUTPKHWTB-QMMMGPOBSA-N 0 1 382.358 -0.042 20 5 GBBDMN COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000821656906 606734938 /nfs/dbraw/zinc/73/49/38/606734938.db2.gz BZNJKXBHKWXKHQ-SECBINFHSA-N 0 1 398.357 -0.663 20 5 GBBDMN COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000821656907 606734880 /nfs/dbraw/zinc/73/48/80/606734880.db2.gz BZNJKXBHKWXKHQ-VIFPVBQESA-N 0 1 398.357 -0.663 20 5 GBBDMN COC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821657638 606736639 /nfs/dbraw/zinc/73/66/39/606736639.db2.gz RZGXRMGXGGOZQO-SECBINFHSA-N 0 1 398.357 -0.663 20 5 GBBDMN COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821657639 606736961 /nfs/dbraw/zinc/73/69/61/606736961.db2.gz RZGXRMGXGGOZQO-VIFPVBQESA-N 0 1 398.357 -0.663 20 5 GBBDMN COC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821665134 606733166 /nfs/dbraw/zinc/73/31/66/606733166.db2.gz XCWCEERQDWNXNJ-UHFFFAOYSA-N 0 1 397.373 -0.152 20 5 GBBDMN COC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000821684509 606734645 /nfs/dbraw/zinc/73/46/45/606734645.db2.gz BNZCFFJJUKGKBA-SECBINFHSA-N 0 1 384.374 -0.189 20 5 GBBDMN COC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000821684510 606734695 /nfs/dbraw/zinc/73/46/95/606734695.db2.gz BNZCFFJJUKGKBA-VIFPVBQESA-N 0 1 384.374 -0.189 20 5 GBBDMN COCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000821691202 606731215 /nfs/dbraw/zinc/73/12/15/606731215.db2.gz MPAJMJAHNKDERM-UHFFFAOYSA-N 0 1 397.417 -0.272 20 5 GBBDMN Cc1[nH]nc(C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1[N+](=O)[O-] ZINC000822009713 606830475 /nfs/dbraw/zinc/83/04/75/606830475.db2.gz CPNHKFSMJLNXII-MRVPVSSYSA-N 0 1 399.375 -0.053 20 5 GBBDMN Cc1[nH]nc(C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000822009714 606830378 /nfs/dbraw/zinc/83/03/78/606830378.db2.gz CPNHKFSMJLNXII-QMMMGPOBSA-N 0 1 399.375 -0.053 20 5 GBBDMN Cc1nnc2n1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C2 ZINC000822519825 606735706 /nfs/dbraw/zinc/73/57/06/606735706.db2.gz MMKZLDRCOXYGFK-UHFFFAOYSA-N 0 1 391.373 -0.121 20 5 GBBDMN NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000822858994 606731909 /nfs/dbraw/zinc/73/19/09/606731909.db2.gz FAKYVXRLDBPNPE-MRVPVSSYSA-N 0 1 381.374 -0.339 20 5 GBBDMN NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000822859007 606731713 /nfs/dbraw/zinc/73/17/13/606731713.db2.gz FAKYVXRLDBPNPE-QMMMGPOBSA-N 0 1 381.374 -0.339 20 5 GBBDMN O=C(C[NH+]1CCCC1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822997858 606707214 /nfs/dbraw/zinc/70/72/14/606707214.db2.gz WFROOSJZBYMBJH-UHFFFAOYSA-N 0 1 387.404 -0.086 20 5 GBBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823123113 607218397 /nfs/dbraw/zinc/21/83/97/607218397.db2.gz OKOGGGNMHVJJQT-SECBINFHSA-N 0 1 385.348 -0.526 20 5 GBBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000823123114 607218350 /nfs/dbraw/zinc/21/83/50/607218350.db2.gz OKOGGGNMHVJJQT-VIFPVBQESA-N 0 1 385.348 -0.526 20 5 GBBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000823127093 607207698 /nfs/dbraw/zinc/20/76/98/607207698.db2.gz SMJQJUMHPWKUOO-UHFFFAOYSA-N 0 1 385.348 -0.890 20 5 GBBDMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000823127273 607208490 /nfs/dbraw/zinc/20/84/90/607208490.db2.gz YIIUZPPHMUNYKU-UHFFFAOYSA-N 0 1 384.360 -0.285 20 5 GBBDMN O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCN1C1CC1 ZINC000823535827 606737541 /nfs/dbraw/zinc/73/75/41/606737541.db2.gz IUKHDKGYCQMXBZ-UHFFFAOYSA-N 0 1 393.385 -0.230 20 5 GBBDMN O=C1NC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 ZINC000823541273 606737494 /nfs/dbraw/zinc/73/74/94/606737494.db2.gz NQWMEOKDSZIVGR-MRVPVSSYSA-N 0 1 394.373 -0.827 20 5 GBBDMN O=C1NC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 ZINC000823541274 606737499 /nfs/dbraw/zinc/73/74/99/606737499.db2.gz NQWMEOKDSZIVGR-QMMMGPOBSA-N 0 1 394.373 -0.827 20 5 GBBDMN O=C1OC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 ZINC000823551648 606878900 /nfs/dbraw/zinc/87/89/00/606878900.db2.gz YNYANKYHTNGXTI-MRVPVSSYSA-N 0 1 395.357 -0.400 20 5 GBBDMN O=C1OC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 ZINC000823551649 606879105 /nfs/dbraw/zinc/87/91/05/606879105.db2.gz YNYANKYHTNGXTI-QMMMGPOBSA-N 0 1 395.357 -0.400 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CCOCC2)c1-c1nn[nH]n1 ZINC000823647235 607154524 /nfs/dbraw/zinc/15/45/24/607154524.db2.gz IMSSTLGLQAXAOF-UHFFFAOYSA-N 0 1 397.417 -0.225 20 5 GBBDMN CC(C)(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(N)=O ZINC000824130188 607666527 /nfs/dbraw/zinc/66/65/27/607666527.db2.gz IROXOCSBIJPMKZ-SNVBAGLBSA-N 0 1 383.390 -0.047 20 5 GBBDMN CC(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824184540 607577935 /nfs/dbraw/zinc/57/79/35/607577935.db2.gz HIAXGIOWGXORSK-UHFFFAOYSA-N 0 1 383.390 -0.175 20 5 GBBDMN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824214323 607605820 /nfs/dbraw/zinc/60/58/20/607605820.db2.gz FOEXYTNPNXKTOQ-GFCCVEGCSA-N 0 1 395.401 -0.080 20 5 GBBDMN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824214324 607605754 /nfs/dbraw/zinc/60/57/54/607605754.db2.gz FOEXYTNPNXKTOQ-LBPRGKRZSA-N 0 1 395.401 -0.080 20 5 GBBDMN CC(C)CN(CC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824255472 607584823 /nfs/dbraw/zinc/58/48/23/607584823.db2.gz KXNMTBCMBYTLBQ-UHFFFAOYSA-N 0 1 383.390 -0.093 20 5 GBBDMN C[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824420468 607588126 /nfs/dbraw/zinc/58/81/26/607588126.db2.gz KWSQGUYUIFPWAA-JTQLQIEISA-N 0 1 397.417 -0.226 20 5 GBBDMN C[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824420469 607588067 /nfs/dbraw/zinc/58/80/67/607588067.db2.gz KWSQGUYUIFPWAA-SNVBAGLBSA-N 0 1 397.417 -0.226 20 5 GBBDMN C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)S(C)(=O)=O ZINC000824426745 607819280 /nfs/dbraw/zinc/81/92/80/607819280.db2.gz HGRLKEPYDVPIFP-SSDOTTSWSA-N 0 1 390.403 -0.514 20 5 GBBDMN C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)S(C)(=O)=O ZINC000824426746 607819126 /nfs/dbraw/zinc/81/91/26/607819126.db2.gz HGRLKEPYDVPIFP-ZETCQYMHSA-N 0 1 390.403 -0.514 20 5 GBBDMN C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)N1CCOCC1 ZINC000824428102 607584735 /nfs/dbraw/zinc/58/47/35/607584735.db2.gz PUPXYFZGXZRZEG-JTQLQIEISA-N 0 1 397.417 -0.226 20 5 GBBDMN C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)N1CCOCC1 ZINC000824428103 607584768 /nfs/dbraw/zinc/58/47/68/607584768.db2.gz PUPXYFZGXZRZEG-SNVBAGLBSA-N 0 1 397.417 -0.226 20 5 GBBDMN C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824450549 607937116 /nfs/dbraw/zinc/93/71/16/607937116.db2.gz XTPQOVUGYSWZKE-SSDOTTSWSA-N 0 1 390.403 -0.514 20 5 GBBDMN C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824450550 607937200 /nfs/dbraw/zinc/93/72/00/607937200.db2.gz XTPQOVUGYSWZKE-ZETCQYMHSA-N 0 1 390.403 -0.514 20 5 GBBDMN C[C@H](Cn1cncn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824466396 607607857 /nfs/dbraw/zinc/60/78/57/607607857.db2.gz WVTASFLGYKDWDE-MRVPVSSYSA-N 0 1 379.362 -0.267 20 5 GBBDMN C[C@@H](Cn1cncn1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824466409 607607611 /nfs/dbraw/zinc/60/76/11/607607611.db2.gz WVTASFLGYKDWDE-QMMMGPOBSA-N 0 1 379.362 -0.267 20 5 GBBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1nncn1C ZINC000824640714 607590244 /nfs/dbraw/zinc/59/02/44/607590244.db2.gz NSFYATOHCKAZES-SSDOTTSWSA-N 0 1 379.362 -0.057 20 5 GBBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)c1nncn1C ZINC000824640717 607590372 /nfs/dbraw/zinc/59/03/72/607590372.db2.gz NSFYATOHCKAZES-ZETCQYMHSA-N 0 1 379.362 -0.057 20 5 GBBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@H]1CN(C)CCO1 ZINC000824641803 607676245 /nfs/dbraw/zinc/67/62/45/607676245.db2.gz ZDNLTRWOMCRIOP-GXSJLCMTSA-N 0 1 397.417 -0.228 20 5 GBBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@@H]1CN(C)CCO1 ZINC000824641804 607676753 /nfs/dbraw/zinc/67/67/53/607676753.db2.gz ZDNLTRWOMCRIOP-KOLCDFICSA-N 0 1 397.417 -0.228 20 5 GBBDMN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@H]1CN(C)CCO1 ZINC000824641805 607676588 /nfs/dbraw/zinc/67/65/88/607676588.db2.gz ZDNLTRWOMCRIOP-MWLCHTKSSA-N 0 1 397.417 -0.228 20 5 GBBDMN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)[C@@H]1CN(C)CCO1 ZINC000824641806 607676341 /nfs/dbraw/zinc/67/63/41/607676341.db2.gz ZDNLTRWOMCRIOP-ONGXEEELSA-N 0 1 397.417 -0.228 20 5 GBBDMN C[C@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000824705515 607631940 /nfs/dbraw/zinc/63/19/40/607631940.db2.gz CGODIMYDKGOFMM-JTQLQIEISA-N 0 1 397.417 -0.538 20 5 GBBDMN C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000824705516 607632014 /nfs/dbraw/zinc/63/20/14/607632014.db2.gz CGODIMYDKGOFMM-SNVBAGLBSA-N 0 1 397.417 -0.538 20 5 GBBDMN CC1(C)C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824784062 607611565 /nfs/dbraw/zinc/61/15/65/607611565.db2.gz NMBTULDCFFQZDD-UHFFFAOYSA-N 0 1 381.374 -0.326 20 5 GBBDMN C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824865030 607648730 /nfs/dbraw/zinc/64/87/30/607648730.db2.gz GULYVAOBWSEUDO-MRVPVSSYSA-N 0 1 381.374 -0.326 20 5 GBBDMN C[C@H]1CC(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824865032 607648768 /nfs/dbraw/zinc/64/87/68/607648768.db2.gz GULYVAOBWSEUDO-QMMMGPOBSA-N 0 1 381.374 -0.326 20 5 GBBDMN C[C@@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825006631 608245184 /nfs/dbraw/zinc/24/51/84/608245184.db2.gz MTJQCRHPSJRYPK-BDAKNGLRSA-N 0 1 384.374 -0.455 20 5 GBBDMN C[C@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825006632 608245136 /nfs/dbraw/zinc/24/51/36/608245136.db2.gz MTJQCRHPSJRYPK-DTWKUNHWSA-N 0 1 384.374 -0.455 20 5 GBBDMN C[C@H]1CO[C@H](CO)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825006633 608245062 /nfs/dbraw/zinc/24/50/62/608245062.db2.gz MTJQCRHPSJRYPK-IUCAKERBSA-N 0 1 384.374 -0.455 20 5 GBBDMN C[C@@H]1CO[C@@H](CO)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825006634 608245529 /nfs/dbraw/zinc/24/55/29/608245529.db2.gz MTJQCRHPSJRYPK-RKDXNWHRSA-N 0 1 384.374 -0.455 20 5 GBBDMN CCN(CC)C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825405760 607598692 /nfs/dbraw/zinc/59/86/92/607598692.db2.gz FDGFTJYDRPYLGT-UHFFFAOYSA-N 0 1 383.390 -0.078 20 5 GBBDMN CCN1CCO[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825465054 607616742 /nfs/dbraw/zinc/61/67/42/607616742.db2.gz GVYBPWDOLOVGDS-JTQLQIEISA-N 0 1 397.417 -0.226 20 5 GBBDMN CCN1CCO[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825465055 607616927 /nfs/dbraw/zinc/61/69/27/607616927.db2.gz GVYBPWDOLOVGDS-SNVBAGLBSA-N 0 1 397.417 -0.226 20 5 GBBDMN CCS(=O)(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825663102 607606701 /nfs/dbraw/zinc/60/67/01/607606701.db2.gz IVADYYNDNMMMHF-UHFFFAOYSA-N 0 1 390.403 -0.512 20 5 GBBDMN CCc1nncn1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825771799 607654732 /nfs/dbraw/zinc/65/47/32/607654732.db2.gz SCCGPFZNQVCXIG-UHFFFAOYSA-N 0 1 393.389 -0.093 20 5 GBBDMN CCn1cnnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825804485 607589011 /nfs/dbraw/zinc/58/90/11/607589011.db2.gz BWTZXRWAJGGELB-UHFFFAOYSA-N 0 1 379.362 -0.135 20 5 GBBDMN CN(C)C(=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825841493 607597701 /nfs/dbraw/zinc/59/77/01/607597701.db2.gz XGPBCPLYUNFPJY-UHFFFAOYSA-N 0 1 383.390 -0.078 20 5 GBBDMN CN(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825845088 608565730 /nfs/dbraw/zinc/56/57/30/608565730.db2.gz AYFVDIBLAMIAFY-UHFFFAOYSA-N 0 1 384.378 -0.676 20 5 GBBDMN C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825856555 607747156 /nfs/dbraw/zinc/74/71/56/607747156.db2.gz WWQGBKMYFXOLTR-CYBMUJFWSA-N 0 1 385.406 -0.634 20 5 GBBDMN C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825856556 607747246 /nfs/dbraw/zinc/74/72/46/607747246.db2.gz WWQGBKMYFXOLTR-ZDUSSCGKSA-N 0 1 385.406 -0.634 20 5 GBBDMN C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000825860808 607618541 /nfs/dbraw/zinc/61/85/41/607618541.db2.gz XGLMGCIZFFSMHM-JTQLQIEISA-N 0 1 397.417 -0.274 20 5 GBBDMN C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCO1 ZINC000825860809 607618755 /nfs/dbraw/zinc/61/87/55/607618755.db2.gz XGLMGCIZFFSMHM-SNVBAGLBSA-N 0 1 397.417 -0.274 20 5 GBBDMN CN(CC(C)(CO)CO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825897416 609565358 /nfs/dbraw/zinc/56/53/58/609565358.db2.gz FUEQIQLGSZAKMM-UHFFFAOYSA-N 0 1 386.390 -0.614 20 5 GBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000825933860 608064558 /nfs/dbraw/zinc/06/45/58/608064558.db2.gz HAOWDWXKTVDXFN-UHFFFAOYSA-N 0 1 388.392 -0.194 20 5 GBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000825933860 608064557 /nfs/dbraw/zinc/06/45/57/608064557.db2.gz HAOWDWXKTVDXFN-UHFFFAOYSA-N 0 1 388.392 -0.194 20 5 GBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000825933860 608064556 /nfs/dbraw/zinc/06/45/56/608064556.db2.gz HAOWDWXKTVDXFN-UHFFFAOYSA-N 0 1 388.392 -0.194 20 5 GBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000825933860 608064555 /nfs/dbraw/zinc/06/45/55/608064555.db2.gz HAOWDWXKTVDXFN-UHFFFAOYSA-N 0 1 388.392 -0.194 20 5 GBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934273 608034970 /nfs/dbraw/zinc/03/49/70/608034970.db2.gz LQFNPECSSRLMEX-JTQLQIEISA-N 0 1 391.396 -0.798 20 5 GBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934273 608034969 /nfs/dbraw/zinc/03/49/69/608034969.db2.gz LQFNPECSSRLMEX-JTQLQIEISA-N 0 1 391.396 -0.798 20 5 GBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934273 608034968 /nfs/dbraw/zinc/03/49/68/608034968.db2.gz LQFNPECSSRLMEX-JTQLQIEISA-N 0 1 391.396 -0.798 20 5 GBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934273 608034967 /nfs/dbraw/zinc/03/49/67/608034967.db2.gz LQFNPECSSRLMEX-JTQLQIEISA-N 0 1 391.396 -0.798 20 5 GBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934275 608034650 /nfs/dbraw/zinc/03/46/50/608034650.db2.gz LQFNPECSSRLMEX-SNVBAGLBSA-N 0 1 391.396 -0.798 20 5 GBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934275 608034649 /nfs/dbraw/zinc/03/46/49/608034649.db2.gz LQFNPECSSRLMEX-SNVBAGLBSA-N 0 1 391.396 -0.798 20 5 GBBDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934275 608034648 /nfs/dbraw/zinc/03/46/48/608034648.db2.gz LQFNPECSSRLMEX-SNVBAGLBSA-N 0 1 391.396 -0.798 20 5 GBBDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934275 608034647 /nfs/dbraw/zinc/03/46/47/608034647.db2.gz LQFNPECSSRLMEX-SNVBAGLBSA-N 0 1 391.396 -0.798 20 5 GBBDMN CN(CCN1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825938358 607604615 /nfs/dbraw/zinc/60/46/15/607604615.db2.gz QFRIHRSLBODWQU-UHFFFAOYSA-N 0 1 397.417 -0.272 20 5 GBBDMN CN1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1=O ZINC000826018275 607621767 /nfs/dbraw/zinc/62/17/67/607621767.db2.gz UMARCHCPXIZDQV-MRVPVSSYSA-N 0 1 381.374 -0.326 20 5 GBBDMN CN1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1=O ZINC000826018276 607621737 /nfs/dbraw/zinc/62/17/37/607621737.db2.gz UMARCHCPXIZDQV-QMMMGPOBSA-N 0 1 381.374 -0.326 20 5 GBBDMN CN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826022335 607621416 /nfs/dbraw/zinc/62/14/16/607621416.db2.gz JZTZPQJSHCJBAQ-SECBINFHSA-N 0 1 381.374 -0.374 20 5 GBBDMN CN([C@H]1CCN(C)C1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826022336 607621500 /nfs/dbraw/zinc/62/15/00/607621500.db2.gz JZTZPQJSHCJBAQ-VIFPVBQESA-N 0 1 381.374 -0.374 20 5 GBBDMN CN1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O ZINC000826033607 607660489 /nfs/dbraw/zinc/66/04/89/607660489.db2.gz IHABOEPSMDJYGB-MRVPVSSYSA-N 0 1 381.374 -0.326 20 5 GBBDMN CN1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1=O ZINC000826033608 607660644 /nfs/dbraw/zinc/66/06/44/607660644.db2.gz IHABOEPSMDJYGB-QMMMGPOBSA-N 0 1 381.374 -0.326 20 5 GBBDMN CN1CCN(C)[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826038766 607613443 /nfs/dbraw/zinc/61/34/43/607613443.db2.gz XHAUXGKPQYFQAO-JTQLQIEISA-N 0 1 396.433 -0.701 20 5 GBBDMN CN1CCN(C)[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826038769 607613578 /nfs/dbraw/zinc/61/35/78/607613578.db2.gz XHAUXGKPQYFQAO-SNVBAGLBSA-N 0 1 396.433 -0.701 20 5 GBBDMN CN1CCO[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826044817 607602500 /nfs/dbraw/zinc/60/25/00/607602500.db2.gz KYYMZLODIDYSIA-SECBINFHSA-N 0 1 383.390 -0.616 20 5 GBBDMN CN1CCO[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826044818 607602529 /nfs/dbraw/zinc/60/25/29/607602529.db2.gz KYYMZLODIDYSIA-VIFPVBQESA-N 0 1 383.390 -0.616 20 5 GBBDMN CNC(=O)C(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826050725 607678093 /nfs/dbraw/zinc/67/80/93/607678093.db2.gz BSEKBDGPPGKODA-UHFFFAOYSA-N 0 1 383.390 -0.175 20 5 GBBDMN CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826050893 607660806 /nfs/dbraw/zinc/66/08/06/607660806.db2.gz HNTXRZICKYWHFM-MRVPVSSYSA-N 0 1 383.390 -0.223 20 5 GBBDMN CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826050894 607660884 /nfs/dbraw/zinc/66/08/84/607660884.db2.gz HNTXRZICKYWHFM-QMMMGPOBSA-N 0 1 383.390 -0.223 20 5 GBBDMN CNC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)C ZINC000826051348 607678406 /nfs/dbraw/zinc/67/84/06/607678406.db2.gz KSHVMOOCFSFYCR-LLVKDONJSA-N 0 1 383.390 -0.176 20 5 GBBDMN CNC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(C)C ZINC000826051353 607678216 /nfs/dbraw/zinc/67/82/16/607678216.db2.gz KSHVMOOCFSFYCR-NSHDSACASA-N 0 1 383.390 -0.176 20 5 GBBDMN CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826060537 608240043 /nfs/dbraw/zinc/24/00/43/608240043.db2.gz NYQJWEBISLNNPA-BDAKNGLRSA-N 0 1 395.401 -0.032 20 5 GBBDMN CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826060538 608239806 /nfs/dbraw/zinc/23/98/06/608239806.db2.gz NYQJWEBISLNNPA-DTWKUNHWSA-N 0 1 395.401 -0.032 20 5 GBBDMN CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826060539 608240168 /nfs/dbraw/zinc/24/01/68/608240168.db2.gz NYQJWEBISLNNPA-IUCAKERBSA-N 0 1 395.401 -0.032 20 5 GBBDMN CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826060540 608240091 /nfs/dbraw/zinc/24/00/91/608240091.db2.gz NYQJWEBISLNNPA-RKDXNWHRSA-N 0 1 395.401 -0.032 20 5 GBBDMN CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826060947 607592164 /nfs/dbraw/zinc/59/21/64/607592164.db2.gz XGTARZNCZVLTEX-SECBINFHSA-N 0 1 381.374 -0.326 20 5 GBBDMN CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826060948 607592129 /nfs/dbraw/zinc/59/21/29/607592129.db2.gz XGTARZNCZVLTEX-VIFPVBQESA-N 0 1 381.374 -0.326 20 5 GBBDMN C[NH2+]CCCc1[nH]nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC000826077456 608019642 /nfs/dbraw/zinc/01/96/42/608019642.db2.gz IQXAYUNALQBRKB-UHFFFAOYSA-N 0 1 389.380 -0.125 20 5 GBBDMN C[NH2+]CCCc1[nH]nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1-c1nnn[n-]1 ZINC000826077456 608019641 /nfs/dbraw/zinc/01/96/41/608019641.db2.gz IQXAYUNALQBRKB-UHFFFAOYSA-N 0 1 389.380 -0.125 20 5 GBBDMN COC(=O)[C@@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOC1 ZINC000826124828 607669712 /nfs/dbraw/zinc/66/97/12/607669712.db2.gz WTRRFMOHODALMV-CYBMUJFWSA-N 0 1 398.357 -0.615 20 5 GBBDMN COC(=O)[C@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOC1 ZINC000826124829 607669700 /nfs/dbraw/zinc/66/97/00/607669700.db2.gz WTRRFMOHODALMV-ZDUSSCGKSA-N 0 1 398.357 -0.615 20 5 GBBDMN COC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC ZINC000826152456 609335622 /nfs/dbraw/zinc/33/56/22/609335622.db2.gz ZVAMZLPJSJDADH-SSDOTTSWSA-N 0 1 386.346 -0.759 20 5 GBBDMN COC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC ZINC000826152457 609335190 /nfs/dbraw/zinc/33/51/90/609335190.db2.gz ZVAMZLPJSJDADH-ZETCQYMHSA-N 0 1 386.346 -0.759 20 5 GBBDMN COCC1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826153191 607973688 /nfs/dbraw/zinc/97/36/88/607973688.db2.gz FAWRNGPOTDVPCP-UHFFFAOYSA-N 0 1 398.401 -0.063 20 5 GBBDMN COCC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826154186 607635986 /nfs/dbraw/zinc/63/59/86/607635986.db2.gz KCGREWWTBHFVDC-CYBMUJFWSA-N 0 1 386.390 -0.159 20 5 GBBDMN COCC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826154187 607636750 /nfs/dbraw/zinc/63/67/50/607636750.db2.gz KCGREWWTBHFVDC-ZDUSSCGKSA-N 0 1 386.390 -0.159 20 5 GBBDMN COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826158088 607610376 /nfs/dbraw/zinc/61/03/76/607610376.db2.gz ZOQPKPKSDWQOIU-MRVPVSSYSA-N 0 1 399.389 -0.714 20 5 GBBDMN COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826158089 607610245 /nfs/dbraw/zinc/61/02/45/607610245.db2.gz ZOQPKPKSDWQOIU-QMMMGPOBSA-N 0 1 399.389 -0.714 20 5 GBBDMN COCCOC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826160095 607659266 /nfs/dbraw/zinc/65/92/66/607659266.db2.gz FJSIHBHLZWTXNW-UHFFFAOYSA-N 0 1 384.374 -0.189 20 5 GBBDMN CS(=O)(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826222647 607590378 /nfs/dbraw/zinc/59/03/78/607590378.db2.gz GANZAVGHQFCQGS-UHFFFAOYSA-N 0 1 376.376 -0.902 20 5 GBBDMN CS(=O)(=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826223054 607593795 /nfs/dbraw/zinc/59/37/95/607593795.db2.gz ZLLDJDRWHFUSPH-UHFFFAOYSA-N 0 1 390.403 -0.512 20 5 GBBDMN Cc1nc2n(n1)CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C2 ZINC000826328866 607664661 /nfs/dbraw/zinc/66/46/61/607664661.db2.gz HRFITQVIUMKYDX-UHFFFAOYSA-N 0 1 391.373 -0.121 20 5 GBBDMN Cc1noc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n1 ZINC000826339784 607602508 /nfs/dbraw/zinc/60/25/08/607602508.db2.gz SXXZHTBPCGWTJP-UHFFFAOYSA-N 0 1 380.346 -0.013 20 5 GBBDMN Cn1cc([C@@H](CO)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000826359014 607938350 /nfs/dbraw/zinc/93/83/50/607938350.db2.gz RPFDKKARYIHHBY-SECBINFHSA-N 0 1 394.373 -0.480 20 5 GBBDMN Cn1cc([C@H](CO)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000826359015 607938558 /nfs/dbraw/zinc/93/85/58/607938558.db2.gz RPFDKKARYIHHBY-VIFPVBQESA-N 0 1 394.373 -0.480 20 5 GBBDMN Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000826359339 607647685 /nfs/dbraw/zinc/64/76/85/607647685.db2.gz CZWPORICVCPMRQ-JTQLQIEISA-N 0 1 394.373 -0.480 20 5 GBBDMN Cn1cc([C@H](O)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000826359340 607647367 /nfs/dbraw/zinc/64/73/67/607647367.db2.gz CZWPORICVCPMRQ-SNVBAGLBSA-N 0 1 394.373 -0.480 20 5 GBBDMN NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCCC1 ZINC000826389631 607619338 /nfs/dbraw/zinc/61/93/38/607619338.db2.gz CTSOEJHWDAHJDY-UHFFFAOYSA-N 0 1 381.374 -0.149 20 5 GBBDMN NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826389701 607577842 /nfs/dbraw/zinc/57/78/42/607577842.db2.gz GCPZIJUICWTTPE-SECBINFHSA-N 0 1 381.374 -0.197 20 5 GBBDMN NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826389702 607577648 /nfs/dbraw/zinc/57/76/48/607577648.db2.gz GCPZIJUICWTTPE-VIFPVBQESA-N 0 1 381.374 -0.197 20 5 GBBDMN NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)O1 ZINC000826390181 607672733 /nfs/dbraw/zinc/67/27/33/607672733.db2.gz SDMGODMGKNYZHI-APPZFPTMSA-N 0 1 397.373 -0.914 20 5 GBBDMN NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)O1 ZINC000826390182 607672652 /nfs/dbraw/zinc/67/26/52/607672652.db2.gz SDMGODMGKNYZHI-CBAPKCEASA-N 0 1 397.373 -0.914 20 5 GBBDMN NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)O1 ZINC000826390183 607672344 /nfs/dbraw/zinc/67/23/44/607672344.db2.gz SDMGODMGKNYZHI-IONNQARKSA-N 0 1 397.373 -0.914 20 5 GBBDMN NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)O1 ZINC000826390184 607672626 /nfs/dbraw/zinc/67/26/26/607672626.db2.gz SDMGODMGKNYZHI-VXNVDRBHSA-N 0 1 397.373 -0.914 20 5 GBBDMN NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCOCC1 ZINC000826390208 607676849 /nfs/dbraw/zinc/67/68/49/607676849.db2.gz STSCOUAYELRQOC-UHFFFAOYSA-N 0 1 397.373 -0.912 20 5 GBBDMN NC(=O)CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCC1 ZINC000826390880 607668238 /nfs/dbraw/zinc/66/82/38/607668238.db2.gz PZBRBSJBFIIJBC-UHFFFAOYSA-N 0 1 381.374 -0.149 20 5 GBBDMN NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826391174 608566035 /nfs/dbraw/zinc/56/60/35/608566035.db2.gz ZFWLLWKNMSDRQN-MRVPVSSYSA-N 0 1 399.414 -0.634 20 5 GBBDMN NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826391175 608566549 /nfs/dbraw/zinc/56/65/49/608566549.db2.gz ZFWLLWKNMSDRQN-QMMMGPOBSA-N 0 1 399.414 -0.634 20 5 GBBDMN NC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826392283 608098323 /nfs/dbraw/zinc/09/83/23/608098323.db2.gz SORCGPWMVXUUFE-SSDOTTSWSA-N 0 1 382.362 -0.794 20 5 GBBDMN NC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826392284 608098389 /nfs/dbraw/zinc/09/83/89/608098389.db2.gz SORCGPWMVXUUFE-ZETCQYMHSA-N 0 1 382.362 -0.794 20 5 GBBDMN NC(=O)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)o1 ZINC000826393193 607661203 /nfs/dbraw/zinc/66/12/03/607661203.db2.gz GXNRMZNSYHCJHO-UHFFFAOYSA-N 0 1 393.341 -0.055 20 5 GBBDMN O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)NCC1CC1 ZINC000826412846 609334318 /nfs/dbraw/zinc/33/43/18/609334318.db2.gz FYWDDSPNRLJSMX-UHFFFAOYSA-N 0 1 381.374 -0.421 20 5 GBBDMN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000826437579 607579119 /nfs/dbraw/zinc/57/91/19/607579119.db2.gz RVVPVTNCJGFXRP-UHFFFAOYSA-N 0 1 381.374 -0.421 20 5 GBBDMN O=C1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CN1C1CC1 ZINC000826478687 607661408 /nfs/dbraw/zinc/66/14/08/607661408.db2.gz HWPBTJJFXHPSLN-MRVPVSSYSA-N 0 1 393.385 -0.184 20 5 GBBDMN O=C1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CN1C1CC1 ZINC000826478688 607661380 /nfs/dbraw/zinc/66/13/80/607661380.db2.gz HWPBTJJFXHPSLN-QMMMGPOBSA-N 0 1 393.385 -0.184 20 5 GBBDMN O=C1CCC(=O)N1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826479823 607615498 /nfs/dbraw/zinc/61/54/98/607615498.db2.gz JCULOFFLXCTAFV-UHFFFAOYSA-N 0 1 395.357 -0.798 20 5 GBBDMN O=C1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 ZINC000826479851 608242097 /nfs/dbraw/zinc/24/20/97/608242097.db2.gz KHXGHPLHUXUBCK-SECBINFHSA-N 0 1 393.385 -0.230 20 5 GBBDMN O=C1CC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3-c3nn[nH]n3)CCN12 ZINC000826479852 608242118 /nfs/dbraw/zinc/24/21/18/608242118.db2.gz KHXGHPLHUXUBCK-VIFPVBQESA-N 0 1 393.385 -0.230 20 5 GBBDMN O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826479978 607661532 /nfs/dbraw/zinc/66/15/32/607661532.db2.gz NRQTVDUVDOWZSR-BDAKNGLRSA-N 0 1 393.385 -0.184 20 5 GBBDMN O=C1NCCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826482951 607585922 /nfs/dbraw/zinc/58/59/22/607585922.db2.gz VZMSDTVBOUFXPS-MRVPVSSYSA-N 0 1 381.374 -0.278 20 5 GBBDMN O=C1NCCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826482952 607585863 /nfs/dbraw/zinc/58/58/63/607585863.db2.gz VZMSDTVBOUFXPS-QMMMGPOBSA-N 0 1 381.374 -0.278 20 5 GBBDMN O=C1OCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826483494 607607395 /nfs/dbraw/zinc/60/73/95/607607395.db2.gz PETRYLIZDMRDIL-UHFFFAOYSA-N 0 1 397.373 -0.105 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c1-c1nn[nH]n1 ZINC000826499894 607626225 /nfs/dbraw/zinc/62/62/25/607626225.db2.gz DAEQTNAPJKLMFJ-SSDOTTSWSA-N 0 1 382.280 -0.024 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1-c1nn[nH]n1 ZINC000826499895 607626099 /nfs/dbraw/zinc/62/60/99/607626099.db2.gz DAEQTNAPJKLMFJ-ZETCQYMHSA-N 0 1 382.280 -0.024 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CCOCC2)c1-c1nn[nH]n1 ZINC000826499899 607680510 /nfs/dbraw/zinc/68/05/10/607680510.db2.gz DEFRTIFBQBRHTD-UHFFFAOYSA-N 0 1 398.401 -0.158 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1nn[nH]n1 ZINC000826499901 607573074 /nfs/dbraw/zinc/57/30/74/607573074.db2.gz DEYFEAWJYWEAAB-SSDOTTSWSA-N 0 1 388.387 -0.760 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1-c1nn[nH]n1 ZINC000826499902 607572846 /nfs/dbraw/zinc/57/28/46/607572846.db2.gz DEYFEAWJYWEAAB-ZETCQYMHSA-N 0 1 388.387 -0.760 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(C2)OCCO3)c1-c1nn[nH]n1 ZINC000826499991 607612874 /nfs/dbraw/zinc/61/28/74/607612874.db2.gz HKHMQCZRGNFCRB-UHFFFAOYSA-N 0 1 382.358 -0.088 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cnccn2)c1-c1nn[nH]n1 ZINC000826500082 607598272 /nfs/dbraw/zinc/59/82/72/607598272.db2.gz KOANITYUDKOCFZ-UHFFFAOYSA-N 0 1 391.373 -0.045 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2cncn2)c1-c1nn[nH]n1 ZINC000826500109 607588293 /nfs/dbraw/zinc/58/82/93/607588293.db2.gz LKTGYVCOXQBAIE-UHFFFAOYSA-N 0 1 379.362 -0.265 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@]2(CCO)CCOC2)c1-c1nn[nH]n1 ZINC000826500157 608423057 /nfs/dbraw/zinc/42/30/57/608423057.db2.gz NFXOBMPVQKFZGR-AWEZNQCLSA-N 0 1 398.401 -0.158 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@]2(CCO)CCOC2)c1-c1nn[nH]n1 ZINC000826500158 608422972 /nfs/dbraw/zinc/42/29/72/608422972.db2.gz NFXOBMPVQKFZGR-CQSZACIVSA-N 0 1 398.401 -0.158 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)COCC2CC2)c1-c1nn[nH]n1 ZINC000826500171 607631233 /nfs/dbraw/zinc/63/12/33/607631233.db2.gz NNBRIKIRSCEVGB-JTQLQIEISA-N 0 1 398.401 -0.159 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)COCC2CC2)c1-c1nn[nH]n1 ZINC000826500172 607631447 /nfs/dbraw/zinc/63/14/47/607631447.db2.gz NNBRIKIRSCEVGB-SNVBAGLBSA-N 0 1 398.401 -0.159 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@]2(O)CCSC2)c1-c1nn[nH]n1 ZINC000826500173 607660283 /nfs/dbraw/zinc/66/02/83/607660283.db2.gz NOWMYXKSRACURI-GFCCVEGCSA-N 0 1 386.415 -0.079 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@]2(O)CCSC2)c1-c1nn[nH]n1 ZINC000826500174 607660326 /nfs/dbraw/zinc/66/03/26/607660326.db2.gz NOWMYXKSRACURI-LBPRGKRZSA-N 0 1 386.415 -0.079 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCOCC2)c1-c1nn[nH]n1 ZINC000826500179 607629997 /nfs/dbraw/zinc/62/99/97/607629997.db2.gz NUPNNJFIJMOLNM-UHFFFAOYSA-N 0 1 384.374 -0.405 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCCO)CC2)c1-c1nn[nH]n1 ZINC000826500201 608568414 /nfs/dbraw/zinc/56/84/14/608568414.db2.gz OEAXBRSETWASKG-UHFFFAOYSA-N 0 1 397.417 -0.536 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)c1-c1nn[nH]n1 ZINC000826500202 607680504 /nfs/dbraw/zinc/68/05/04/607680504.db2.gz OESVLAPPHXACCH-JTQLQIEISA-N 0 1 394.417 -0.947 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)c1-c1nn[nH]n1 ZINC000826500203 607680805 /nfs/dbraw/zinc/68/08/05/607680805.db2.gz OESVLAPPHXACCH-SNVBAGLBSA-N 0 1 394.417 -0.947 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](OCCO)C2)c1-c1nn[nH]n1 ZINC000826500228 607635273 /nfs/dbraw/zinc/63/52/73/607635273.db2.gz OYALGDUPCKMVDK-JTQLQIEISA-N 0 1 398.401 -0.063 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](OCCO)C2)c1-c1nn[nH]n1 ZINC000826500229 607635452 /nfs/dbraw/zinc/63/54/52/607635452.db2.gz OYALGDUPCKMVDK-SNVBAGLBSA-N 0 1 398.401 -0.063 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCOCC2)c1-c1nn[nH]n1 ZINC000826500238 607574892 /nfs/dbraw/zinc/57/48/92/607574892.db2.gz PNUGIYLKMXCYFY-UHFFFAOYSA-N 0 1 383.390 -0.615 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2ccnn2)c1-c1nn[nH]n1 ZINC000826500243 608125587 /nfs/dbraw/zinc/12/55/87/608125587.db2.gz PQLSJRDDLQOVPO-UHFFFAOYSA-N 0 1 379.362 -0.265 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC[C@H]2CO)c1-c1nn[nH]n1 ZINC000826500283 608568016 /nfs/dbraw/zinc/56/80/16/608568016.db2.gz RUQIAEMMFVJYDC-MRVPVSSYSA-N 0 1 386.415 -0.127 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC[C@@H]2CO)c1-c1nn[nH]n1 ZINC000826500284 608568034 /nfs/dbraw/zinc/56/80/34/608568034.db2.gz RUQIAEMMFVJYDC-QMMMGPOBSA-N 0 1 386.415 -0.127 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1-c1nn[nH]n1 ZINC000826500288 607616093 /nfs/dbraw/zinc/61/60/93/607616093.db2.gz SBKOTYZBGILARD-MRVPVSSYSA-N 0 1 391.373 -0.340 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1-c1nn[nH]n1 ZINC000826500289 607616238 /nfs/dbraw/zinc/61/62/38/607616238.db2.gz SBKOTYZBGILARD-QMMMGPOBSA-N 0 1 391.373 -0.340 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nnnn2C2CC2)c1-c1nn[nH]n1 ZINC000826500299 607655562 /nfs/dbraw/zinc/65/55/62/607655562.db2.gz SNBPMAZUTBSILE-UHFFFAOYSA-N 0 1 392.361 -0.425 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C2CCOCC2)c1-c1nn[nH]n1 ZINC000826500316 607641089 /nfs/dbraw/zinc/64/10/89/607641089.db2.gz TWDOZIPJJMNLGJ-LLVKDONJSA-N 0 1 398.401 -0.159 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C2CCOCC2)c1-c1nn[nH]n1 ZINC000826500317 607640669 /nfs/dbraw/zinc/64/06/69/607640669.db2.gz TWDOZIPJJMNLGJ-NSHDSACASA-N 0 1 398.401 -0.159 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1-c1nn[nH]n1 ZINC000826500318 607607997 /nfs/dbraw/zinc/60/79/97/607607997.db2.gz TYDMAKVYNILCCP-UHFFFAOYSA-N 0 1 388.387 -0.806 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(OCCO)CC2)c1-c1nn[nH]n1 ZINC000826500339 607938760 /nfs/dbraw/zinc/93/87/60/607938760.db2.gz UOHQSBOTHSSZFR-UHFFFAOYSA-N 0 1 398.401 -0.063 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ncccn2)c1-c1nn[nH]n1 ZINC000826500356 607599990 /nfs/dbraw/zinc/59/99/90/607599990.db2.gz VMVAXPHWBGYOOW-UHFFFAOYSA-N 0 1 391.373 -0.045 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCN(CCO)CC2)c1-c1nn[nH]n1 ZINC000826500360 607626054 /nfs/dbraw/zinc/62/60/54/607626054.db2.gz VRHCKBWYKNVOQF-UHFFFAOYSA-N 0 1 397.417 -0.536 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCO)CC2)c1-c1nn[nH]n1 ZINC000826500383 607581744 /nfs/dbraw/zinc/58/17/44/607581744.db2.gz WPMHACLNKLIKLG-UHFFFAOYSA-N 0 1 383.390 -0.927 20 5 GBBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nnc3n2CCC3)c1-c1nn[nH]n1 ZINC000826500429 607582607 /nfs/dbraw/zinc/58/26/07/607582607.db2.gz YGRKMKUNUBZLFO-UHFFFAOYSA-N 0 1 391.373 -0.209 20 5 GBBDMN CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000828585591 604630831 /nfs/dbraw/zinc/63/08/31/604630831.db2.gz MYXYBOOHXWQJEA-JTQLQIEISA-N 0 1 387.418 -0.109 20 5 GBBDMN CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000828585591 604630827 /nfs/dbraw/zinc/63/08/27/604630827.db2.gz MYXYBOOHXWQJEA-JTQLQIEISA-N 0 1 387.418 -0.109 20 5 GBBDMN CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000828585592 604632582 /nfs/dbraw/zinc/63/25/82/604632582.db2.gz MYXYBOOHXWQJEA-SNVBAGLBSA-N 0 1 387.418 -0.109 20 5 GBBDMN CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000828585592 604632579 /nfs/dbraw/zinc/63/25/79/604632579.db2.gz MYXYBOOHXWQJEA-SNVBAGLBSA-N 0 1 387.418 -0.109 20 5 GBBDMN O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834241468 605648233 /nfs/dbraw/zinc/64/82/33/605648233.db2.gz SERWBIWTMCZORI-GFCCVEGCSA-N 0 1 381.389 -0.148 20 5 GBBDMN O=C([O-])NCCNC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000834241469 605648553 /nfs/dbraw/zinc/64/85/53/605648553.db2.gz SERWBIWTMCZORI-LBPRGKRZSA-N 0 1 381.389 -0.148 20 5 GBBDMN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000839517207 637621743 /nfs/dbraw/zinc/62/17/43/637621743.db2.gz QIAKVOYDCJTQKB-FDYHWXHSSA-N 0 1 376.435 -0.850 20 5 GBBDMN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000839517208 637621432 /nfs/dbraw/zinc/62/14/32/637621432.db2.gz QIAKVOYDCJTQKB-WUHRBBMRSA-N 0 1 376.435 -0.850 20 5 GBBDMN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000839517209 637621709 /nfs/dbraw/zinc/62/17/09/637621709.db2.gz QIAKVOYDCJTQKB-YVECIDJPSA-N 0 1 376.435 -0.850 20 5 GBBDMN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672733 1073381589 /nfs/dbraw/zinc/38/15/89/1073381589.db2.gz PLXPXSWPULRVEO-RLCGTCKNSA-N 0 1 383.382 -0.180 20 5 GBBDMN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672746 1073381474 /nfs/dbraw/zinc/38/14/74/1073381474.db2.gz PLXPXSWPULRVEO-XTWCZFFVSA-N 0 1 383.382 -0.180 20 5 GBBDMN CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000849373910 638129496 /nfs/dbraw/zinc/12/94/96/638129496.db2.gz LKCSZMFGGQACBM-UHFFFAOYSA-N 0 1 392.459 -0.223 20 5 GBBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCS(=O)(=O)C1CCOCC1 ZINC000849396613 638131074 /nfs/dbraw/zinc/13/10/74/638131074.db2.gz KHDWMYNUNYSIHB-UHFFFAOYSA-N 0 1 379.416 -0.138 20 5 GBBDMN CCc1[nH]nc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000854591000 638180254 /nfs/dbraw/zinc/18/02/54/638180254.db2.gz INDNTUVWPSTODI-UHFFFAOYSA-N 0 1 379.420 -0.236 20 5 GBBDMN Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1[N+](=O)[O-] ZINC000854833897 638190338 /nfs/dbraw/zinc/19/03/38/638190338.db2.gz PRZRRHQIYAWPJC-UHFFFAOYSA-N 0 1 394.435 -0.643 20 5 GBBDMN CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000858901975 638214875 /nfs/dbraw/zinc/21/48/75/638214875.db2.gz SLCVAZIVMBYKEQ-UHFFFAOYSA-N 0 1 395.463 -0.189 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(O)CCC3(CC2)OCCO3)n1 ZINC000859063389 638216316 /nfs/dbraw/zinc/21/63/16/638216316.db2.gz IOGPZLBNRYUQMU-UHFFFAOYSA-N 0 1 376.391 -0.345 20 5 GBBDMN CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000859069345 638216174 /nfs/dbraw/zinc/21/61/74/638216174.db2.gz KCAXYAYZGZSISL-QMMMGPOBSA-N 0 1 381.436 -0.252 20 5 GBBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCS(=O)(=O)CC(F)(F)F)n1 ZINC000859220874 638220319 /nfs/dbraw/zinc/22/03/19/638220319.db2.gz JXDJBVMJNUFFMI-UHFFFAOYSA-N 0 1 380.326 -0.416 20 5 GBBDMN CN(OCC(F)(F)F)C(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000859234835 638220192 /nfs/dbraw/zinc/22/01/92/638220192.db2.gz AOSMSCWZIKLPOZ-UHFFFAOYSA-N 0 1 375.285 -0.441 20 5 GBBDMN COC(=O)[C@](C)(NS(=O)(=O)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000859369881 638222837 /nfs/dbraw/zinc/22/28/37/638222837.db2.gz LHXHCNOMVRHJKV-CYBMUJFWSA-N 0 1 394.427 -0.053 20 5 GBBDMN COC(=O)[C@@](C)(NS(=O)(=O)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000859369882 638222739 /nfs/dbraw/zinc/22/27/39/638222739.db2.gz LHXHCNOMVRHJKV-ZDUSSCGKSA-N 0 1 394.427 -0.053 20 5 GBBDMN C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001142206257 1073730796 /nfs/dbraw/zinc/73/07/96/1073730796.db2.gz SHILNVWWJXIJIQ-DOMZBBRYSA-N 0 1 397.457 -0.622 20 5 GBBDMN COC(=O)C(C(=O)OC)c1ncc(-n2c(C)ncc(CN)c2=N)cc1[N+](=O)[O-] ZINC001167674457 1072540055 /nfs/dbraw/zinc/54/00/55/1072540055.db2.gz QCYXEKQWQZIWAN-UHFFFAOYSA-N 0 1 390.356 -0.148 20 5 GBBDMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)C1 ZINC001591365925 992371897 /nfs/dbraw/zinc/37/18/97/992371897.db2.gz GUCOGELEYSTTOX-CYBMUJFWSA-N 0 1 396.400 -0.072 20 5 GBBDMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)C1 ZINC001591365926 992372100 /nfs/dbraw/zinc/37/21/00/992372100.db2.gz GUCOGELEYSTTOX-ZDUSSCGKSA-N 0 1 396.400 -0.072 20 5 GBBDMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)C1 ZINC001591366104 992374164 /nfs/dbraw/zinc/37/41/64/992374164.db2.gz KEFPKJAYVJYIRP-CYBMUJFWSA-N 0 1 396.400 -0.072 20 5 GBBDMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)C1 ZINC001591366105 992373323 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