smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595869046 491958050 /nfs/dbraw/zinc/95/80/50/491958050.db2.gz TUDPQMPNKZLFJH-IAGOWNOFSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595869046 491958053 /nfs/dbraw/zinc/95/80/53/491958053.db2.gz TUDPQMPNKZLFJH-IAGOWNOFSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@@H]4C[NH2+]CCO4)CC3)nc2c1 ZINC000595891432 491959555 /nfs/dbraw/zinc/95/95/55/491959555.db2.gz HYNDJKDLADLHFN-AWEZNQCLSA-N 2 2 360.418 0.972 10 5 FCBELP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@@H]4C[NH2+]CCO4)CC3)nc2c1 ZINC000595891432 491959556 /nfs/dbraw/zinc/95/95/56/491959556.db2.gz HYNDJKDLADLHFN-AWEZNQCLSA-N 2 2 360.418 0.972 10 5 FCBELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529893 208132198 /nfs/dbraw/zinc/13/21/98/208132198.db2.gz REPYZEKNVAQRTH-INIZCTEOSA-N 2 2 363.462 0.858 10 5 FCBELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529893 208132206 /nfs/dbraw/zinc/13/22/06/208132206.db2.gz REPYZEKNVAQRTH-INIZCTEOSA-N 2 2 363.462 0.858 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597990405 492076998 /nfs/dbraw/zinc/07/69/98/492076998.db2.gz VAAUYZWFHJUMCT-UHFFFAOYSA-N 2 2 366.418 0.979 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597990405 492077000 /nfs/dbraw/zinc/07/70/00/492077000.db2.gz VAAUYZWFHJUMCT-UHFFFAOYSA-N 2 2 366.418 0.979 10 5 FCBELP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423036819 490526060 /nfs/dbraw/zinc/52/60/60/490526060.db2.gz LQZXYXPBXGVIAF-CVEARBPZSA-N 2 2 369.443 0.725 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595869048 491958076 /nfs/dbraw/zinc/95/80/76/491958076.db2.gz TUDPQMPNKZLFJH-SJORKVTESA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595869048 491958079 /nfs/dbraw/zinc/95/80/79/491958079.db2.gz TUDPQMPNKZLFJH-SJORKVTESA-N 2 2 365.430 0.866 10 5 FCBELP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597628128 492053009 /nfs/dbraw/zinc/05/30/09/492053009.db2.gz ZECBRBITPNTFQU-HNNXBMFYSA-N 2 2 370.413 0.900 10 5 FCBELP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597628128 492053012 /nfs/dbraw/zinc/05/30/12/492053012.db2.gz ZECBRBITPNTFQU-HNNXBMFYSA-N 2 2 370.413 0.900 10 5 FCBELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599670450 492198717 /nfs/dbraw/zinc/19/87/17/492198717.db2.gz WEBNVABDELJQLI-MRXNPFEDSA-N 2 2 367.450 0.729 10 5 FCBELP CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000427827933 489622730 /nfs/dbraw/zinc/62/27/30/489622730.db2.gz SXMVXNLKCNTHRC-UHFFFAOYSA-N 2 2 352.439 0.909 10 5 FCBELP CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000427827933 489622732 /nfs/dbraw/zinc/62/27/32/489622732.db2.gz SXMVXNLKCNTHRC-UHFFFAOYSA-N 2 2 352.439 0.909 10 5 FCBELP C[NH+]1CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)([NH+]2CCCCC2)CC1 ZINC000460481928 489867731 /nfs/dbraw/zinc/86/77/31/489867731.db2.gz WRWIAGYKHWYVDG-UHFFFAOYSA-N 2 2 365.438 0.253 10 5 FCBELP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000447812850 490277796 /nfs/dbraw/zinc/27/77/96/490277796.db2.gz OJKMMQGBLFUHJP-INIZCTEOSA-N 2 2 362.430 0.948 10 5 FCBELP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000447812850 490277800 /nfs/dbraw/zinc/27/78/00/490277800.db2.gz OJKMMQGBLFUHJP-INIZCTEOSA-N 2 2 362.430 0.948 10 5 FCBELP C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)([NH+]2CCCCC2)CC1 ZINC000586789132 491732610 /nfs/dbraw/zinc/73/26/10/491732610.db2.gz DNJFOXREYQCXLO-UHFFFAOYSA-N 2 2 350.423 0.998 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862815 491957336 /nfs/dbraw/zinc/95/73/36/491957336.db2.gz HCUSEIRCTITRJU-HZPDHXFCSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862815 491957337 /nfs/dbraw/zinc/95/73/37/491957337.db2.gz HCUSEIRCTITRJU-HZPDHXFCSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595869045 491958119 /nfs/dbraw/zinc/95/81/19/491958119.db2.gz TUDPQMPNKZLFJH-DLBZAZTESA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595869045 491958121 /nfs/dbraw/zinc/95/81/21/491958121.db2.gz TUDPQMPNKZLFJH-DLBZAZTESA-N 2 2 365.430 0.866 10 5 FCBELP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593053091 1193765236 /nfs/dbraw/zinc/76/52/36/1193765236.db2.gz WVRAVUPOUPHYAQ-UHFFFAOYSA-N 2 2 363.418 0.629 10 5 FCBELP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593053091 1193765240 /nfs/dbraw/zinc/76/52/40/1193765240.db2.gz WVRAVUPOUPHYAQ-UHFFFAOYSA-N 2 2 363.418 0.629 10 5 FCBELP COC(=O)c1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001645219353 1291009926 /nfs/dbraw/zinc/00/99/26/1291009926.db2.gz PSQNJAWNSHMEMJ-UHFFFAOYSA-N 2 2 366.418 0.995 10 5 FCBELP COC(=O)c1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001645219353 1291009937 /nfs/dbraw/zinc/00/99/37/1291009937.db2.gz PSQNJAWNSHMEMJ-UHFFFAOYSA-N 2 2 366.418 0.995 10 5 FCBELP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[NH+](CCCO)CC1 ZINC000472366169 250148269 /nfs/dbraw/zinc/14/82/69/250148269.db2.gz QQNWNSGCFWRLDM-UHFFFAOYSA-N 2 2 364.446 0.931 10 5 FCBELP C[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])cn2)([NH+]2CCCCC2)CC1 ZINC000172754923 488837435 /nfs/dbraw/zinc/83/74/35/488837435.db2.gz LTNCPZVIFYSWPZ-UHFFFAOYSA-N 2 2 364.450 0.858 10 5 FCBELP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000447818541 490279509 /nfs/dbraw/zinc/27/95/09/490279509.db2.gz XFEXIZLNDGWCHT-OAHLLOKOSA-N 2 2 364.446 0.930 10 5 FCBELP C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000447818541 490279514 /nfs/dbraw/zinc/27/95/14/490279514.db2.gz XFEXIZLNDGWCHT-OAHLLOKOSA-N 2 2 364.446 0.930 10 5 FCBELP C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1CCO ZINC000450808602 490492230 /nfs/dbraw/zinc/49/22/30/490492230.db2.gz IHTOKCRODAJUGX-ZDUSSCGKSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1CCO ZINC000450808602 490492235 /nfs/dbraw/zinc/49/22/35/490492235.db2.gz IHTOKCRODAJUGX-ZDUSSCGKSA-N 2 2 359.386 0.919 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000575749009 491558154 /nfs/dbraw/zinc/55/81/54/491558154.db2.gz KVUVFHMFXGCJIF-HZPDHXFCSA-N 2 2 353.419 0.771 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000575749009 491558158 /nfs/dbraw/zinc/55/81/58/491558158.db2.gz KVUVFHMFXGCJIF-HZPDHXFCSA-N 2 2 353.419 0.771 10 5 FCBELP CC1([NH+]2CCOCC2)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000599621463 492194972 /nfs/dbraw/zinc/19/49/72/492194972.db2.gz BYZDFVDGUPAJDE-UHFFFAOYSA-N 2 2 350.419 0.943 10 5 FCBELP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187271509 533874339 /nfs/dbraw/zinc/87/43/39/533874339.db2.gz KGILYMSAJBCTBS-ZDUSSCGKSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187271509 533874349 /nfs/dbraw/zinc/87/43/49/533874349.db2.gz KGILYMSAJBCTBS-ZDUSSCGKSA-N 2 2 359.386 0.919 10 5 FCBELP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931287679 674107393 /nfs/dbraw/zinc/10/73/93/674107393.db2.gz AOJJKHJWEXLBMX-INIZCTEOSA-N 2 2 353.423 0.339 10 5 FCBELP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931287679 674107395 /nfs/dbraw/zinc/10/73/95/674107395.db2.gz AOJJKHJWEXLBMX-INIZCTEOSA-N 2 2 353.423 0.339 10 5 FCBELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176232833 488857890 /nfs/dbraw/zinc/85/78/90/488857890.db2.gz CUVYVPZYZULJGR-MRXNPFEDSA-N 2 2 366.466 0.518 10 5 FCBELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176232833 488857891 /nfs/dbraw/zinc/85/78/91/488857891.db2.gz CUVYVPZYZULJGR-MRXNPFEDSA-N 2 2 366.466 0.518 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000575749010 491558365 /nfs/dbraw/zinc/55/83/65/491558365.db2.gz KVUVFHMFXGCJIF-JKSUJKDBSA-N 2 2 353.419 0.771 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000575749010 491558367 /nfs/dbraw/zinc/55/83/67/491558367.db2.gz KVUVFHMFXGCJIF-JKSUJKDBSA-N 2 2 353.419 0.771 10 5 FCBELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594803523 547012674 /nfs/dbraw/zinc/01/26/74/547012674.db2.gz QABKTZAEXRHEFE-LBPRGKRZSA-N 2 2 359.452 0.540 10 5 FCBELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594803523 547012677 /nfs/dbraw/zinc/01/26/77/547012677.db2.gz QABKTZAEXRHEFE-LBPRGKRZSA-N 2 2 359.452 0.540 10 5 FCBELP C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC001636277749 1282478420 /nfs/dbraw/zinc/47/84/20/1282478420.db2.gz APYYPCUHLAUJRY-KRWDZBQOSA-N 2 2 359.386 0.919 10 5 FCBELP C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC001636277750 1282478874 /nfs/dbraw/zinc/47/88/74/1282478874.db2.gz APYYPCUHLAUJRY-QGZVFWFLSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457079531 489634640 /nfs/dbraw/zinc/63/46/40/489634640.db2.gz AEBONASOEYTRQV-CYBMUJFWSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457079531 489634642 /nfs/dbraw/zinc/63/46/42/489634642.db2.gz AEBONASOEYTRQV-CYBMUJFWSA-N 2 2 359.386 0.919 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000575749007 491558178 /nfs/dbraw/zinc/55/81/78/491558178.db2.gz KVUVFHMFXGCJIF-CVEARBPZSA-N 2 2 353.419 0.771 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000575749007 491558180 /nfs/dbraw/zinc/55/81/80/491558180.db2.gz KVUVFHMFXGCJIF-CVEARBPZSA-N 2 2 353.419 0.771 10 5 FCBELP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000600715410 491878323 /nfs/dbraw/zinc/87/83/23/491878323.db2.gz XZIFXBRPYXJVTB-UHFFFAOYSA-N 2 2 363.418 0.616 10 5 FCBELP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600714486 491878381 /nfs/dbraw/zinc/87/83/81/491878381.db2.gz SPRZDDIGCVFACH-UHFFFAOYSA-N 2 2 363.418 0.616 10 5 FCBELP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595885413 491959029 /nfs/dbraw/zinc/95/90/29/491959029.db2.gz NLWVUMWEGJEPME-MRXNPFEDSA-N 2 2 360.414 0.874 10 5 FCBELP CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000617405666 492166720 /nfs/dbraw/zinc/16/67/20/492166720.db2.gz MRXYOJABBISIGD-LBPRGKRZSA-N 2 2 350.423 0.710 10 5 FCBELP CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000617405666 492166721 /nfs/dbraw/zinc/16/67/21/492166721.db2.gz MRXYOJABBISIGD-LBPRGKRZSA-N 2 2 350.423 0.710 10 5 FCBELP CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000617405665 492166732 /nfs/dbraw/zinc/16/67/32/492166732.db2.gz MRXYOJABBISIGD-GFCCVEGCSA-N 2 2 350.423 0.710 10 5 FCBELP CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000617405665 492166733 /nfs/dbraw/zinc/16/67/33/492166733.db2.gz MRXYOJABBISIGD-GFCCVEGCSA-N 2 2 350.423 0.710 10 5 FCBELP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001655575461 1291474443 /nfs/dbraw/zinc/47/44/43/1291474443.db2.gz FETQLBXMYNWKOS-MRXNPFEDSA-N 2 2 353.423 0.385 10 5 FCBELP Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC001319768257 867995577 /nfs/dbraw/zinc/99/55/77/867995577.db2.gz VGTZVWGUKWGLNN-UHFFFAOYSA-N 2 2 350.423 0.617 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595124368 491885855 /nfs/dbraw/zinc/88/58/55/491885855.db2.gz GXCMAGTWTIIIBI-UHFFFAOYSA-N 2 2 351.407 0.533 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595124368 491885856 /nfs/dbraw/zinc/88/58/56/491885856.db2.gz GXCMAGTWTIIIBI-UHFFFAOYSA-N 2 2 351.407 0.533 10 5 FCBELP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595885406 491958868 /nfs/dbraw/zinc/95/88/68/491958868.db2.gz NLWVUMWEGJEPME-INIZCTEOSA-N 2 2 360.414 0.874 10 5 FCBELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000597941605 492074052 /nfs/dbraw/zinc/07/40/52/492074052.db2.gz CJORLINECURUBS-ZDUSSCGKSA-N 2 2 353.423 0.145 10 5 FCBELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000597941605 492074053 /nfs/dbraw/zinc/07/40/53/492074053.db2.gz CJORLINECURUBS-ZDUSSCGKSA-N 2 2 353.423 0.145 10 5 FCBELP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001655575451 1291474245 /nfs/dbraw/zinc/47/42/45/1291474245.db2.gz FETQLBXMYNWKOS-INIZCTEOSA-N 2 2 353.423 0.385 10 5 FCBELP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423036820 490526489 /nfs/dbraw/zinc/52/64/89/490526489.db2.gz LQZXYXPBXGVIAF-HOTGVXAUSA-N 2 2 369.443 0.725 10 5 FCBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000183648001 209150006 /nfs/dbraw/zinc/15/00/06/209150006.db2.gz IAILWTYHOCZRDJ-MRXNPFEDSA-N 2 2 362.430 0.926 10 5 FCBELP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[N@@H+](CCO)CC1 ZINC000447818975 490277742 /nfs/dbraw/zinc/27/77/42/490277742.db2.gz ZRERMLPOOVJMDA-UHFFFAOYSA-N 2 2 364.446 0.931 10 5 FCBELP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[N@H+](CCO)CC1 ZINC000447818975 490277748 /nfs/dbraw/zinc/27/77/48/490277748.db2.gz ZRERMLPOOVJMDA-UHFFFAOYSA-N 2 2 364.446 0.931 10 5 FCBELP CN(C)c1nc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc[nH+]1 ZINC000536429884 490577961 /nfs/dbraw/zinc/57/79/61/490577961.db2.gz NZLMBTPNHHIREU-UHFFFAOYSA-N 2 2 373.417 0.435 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595869047 491957932 /nfs/dbraw/zinc/95/79/32/491957932.db2.gz TUDPQMPNKZLFJH-IRXDYDNUSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595869047 491957933 /nfs/dbraw/zinc/95/79/33/491957933.db2.gz TUDPQMPNKZLFJH-IRXDYDNUSA-N 2 2 365.430 0.866 10 5 FCBELP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332334886 1266380145 /nfs/dbraw/zinc/38/01/45/1266380145.db2.gz OKFPSFJEYDZLJG-MRXNPFEDSA-N 2 2 360.414 0.731 10 5 FCBELP C[C@H]1C[N@@H+](C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCO1 ZINC000159772360 488787388 /nfs/dbraw/zinc/78/73/88/488787388.db2.gz XJXKYTNIRRZWIW-AWEZNQCLSA-N 2 2 350.419 0.942 10 5 FCBELP C[C@H]1C[N@H+](C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCO1 ZINC000159772360 488787389 /nfs/dbraw/zinc/78/73/89/488787389.db2.gz XJXKYTNIRRZWIW-AWEZNQCLSA-N 2 2 350.419 0.942 10 5 FCBELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457098385 489635000 /nfs/dbraw/zinc/63/50/00/489635000.db2.gz LODZMVSLVRFARQ-CYBMUJFWSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457098385 489635002 /nfs/dbraw/zinc/63/50/02/489635002.db2.gz LODZMVSLVRFARQ-CYBMUJFWSA-N 2 2 359.386 0.919 10 5 FCBELP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000447812851 490277695 /nfs/dbraw/zinc/27/76/95/490277695.db2.gz OJKMMQGBLFUHJP-MRXNPFEDSA-N 2 2 362.430 0.948 10 5 FCBELP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000447812851 490277699 /nfs/dbraw/zinc/27/76/99/490277699.db2.gz OJKMMQGBLFUHJP-MRXNPFEDSA-N 2 2 362.430 0.948 10 5 FCBELP CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611335200 492285863 /nfs/dbraw/zinc/28/58/63/492285863.db2.gz WGJXMMXWPQMZAN-CYBMUJFWSA-N 2 2 350.423 0.569 10 5 FCBELP CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611335200 492285864 /nfs/dbraw/zinc/28/58/64/492285864.db2.gz WGJXMMXWPQMZAN-CYBMUJFWSA-N 2 2 350.423 0.569 10 5 FCBELP CCO[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593316351 1196770251 /nfs/dbraw/zinc/77/02/51/1196770251.db2.gz PKTDHGWKTDHCNO-CZUORRHYSA-N 2 2 367.402 0.942 10 5 FCBELP CCO[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593316351 1196770254 /nfs/dbraw/zinc/77/02/54/1196770254.db2.gz PKTDHGWKTDHCNO-CZUORRHYSA-N 2 2 367.402 0.942 10 5 FCBELP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000263210862 488606737 /nfs/dbraw/zinc/60/67/37/488606737.db2.gz KGTUZEMFKUNZGA-PWSUYJOCSA-N 2 2 361.345 0.917 10 5 FCBELP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597628129 492052846 /nfs/dbraw/zinc/05/28/46/492052846.db2.gz ZECBRBITPNTFQU-OAHLLOKOSA-N 2 2 370.413 0.900 10 5 FCBELP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597628129 492052847 /nfs/dbraw/zinc/05/28/47/492052847.db2.gz ZECBRBITPNTFQU-OAHLLOKOSA-N 2 2 370.413 0.900 10 5 FCBELP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332334881 1266380426 /nfs/dbraw/zinc/38/04/26/1266380426.db2.gz OKFPSFJEYDZLJG-INIZCTEOSA-N 2 2 360.414 0.731 10 5 FCBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000595124614 491885880 /nfs/dbraw/zinc/88/58/80/491885880.db2.gz IASRWQPSVLVAGD-UHFFFAOYSA-N 2 2 365.434 0.841 10 5 FCBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000595124614 491885882 /nfs/dbraw/zinc/88/58/82/491885882.db2.gz IASRWQPSVLVAGD-UHFFFAOYSA-N 2 2 365.434 0.841 10 5 FCBELP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000600715507 491878445 /nfs/dbraw/zinc/87/84/45/491878445.db2.gz ZIVGTTRQLNBLQX-UHFFFAOYSA-N 2 2 363.418 0.616 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862816 491957350 /nfs/dbraw/zinc/95/73/50/491957350.db2.gz HCUSEIRCTITRJU-JKSUJKDBSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595862816 491957351 /nfs/dbraw/zinc/95/73/51/491957351.db2.gz HCUSEIRCTITRJU-JKSUJKDBSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@H]4C[NH2+]CCO4)CC3)nc2c1 ZINC000595891434 491959590 /nfs/dbraw/zinc/95/95/90/491959590.db2.gz HYNDJKDLADLHFN-CQSZACIVSA-N 2 2 360.418 0.972 10 5 FCBELP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@H]4C[NH2+]CCO4)CC3)nc2c1 ZINC000595891434 491959591 /nfs/dbraw/zinc/95/95/91/491959591.db2.gz HYNDJKDLADLHFN-CQSZACIVSA-N 2 2 360.418 0.972 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597989764 492076545 /nfs/dbraw/zinc/07/65/45/492076545.db2.gz JZXSBZQQFIINKU-UHFFFAOYSA-N 2 2 366.418 0.979 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597989764 492076548 /nfs/dbraw/zinc/07/65/48/492076548.db2.gz JZXSBZQQFIINKU-UHFFFAOYSA-N 2 2 366.418 0.979 10 5 FCBELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594803936 547012805 /nfs/dbraw/zinc/01/28/05/547012805.db2.gz RSVIYZOUJKRVNW-LBPRGKRZSA-N 2 2 359.452 0.540 10 5 FCBELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594803936 547012806 /nfs/dbraw/zinc/01/28/06/547012806.db2.gz RSVIYZOUJKRVNW-LBPRGKRZSA-N 2 2 359.452 0.540 10 5 FCBELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)CC1 ZINC001627583907 1290470405 /nfs/dbraw/zinc/47/04/05/1290470405.db2.gz RMBNCCCPEUBGTB-VIFPVBQESA-N 2 2 356.814 0.870 10 5 FCBELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)CC1 ZINC001627583907 1290470409 /nfs/dbraw/zinc/47/04/09/1290470409.db2.gz RMBNCCCPEUBGTB-VIFPVBQESA-N 2 2 356.814 0.870 10 5 FCBELP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000263210860 488606368 /nfs/dbraw/zinc/60/63/68/488606368.db2.gz KGTUZEMFKUNZGA-CMPLNLGQSA-N 2 2 361.345 0.917 10 5 FCBELP C[C@@H]1C[N@@H+](C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCO1 ZINC000159772224 488787214 /nfs/dbraw/zinc/78/72/14/488787214.db2.gz XJXKYTNIRRZWIW-CQSZACIVSA-N 2 2 350.419 0.942 10 5 FCBELP C[C@@H]1C[N@H+](C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCO1 ZINC000159772224 488787217 /nfs/dbraw/zinc/78/72/17/488787217.db2.gz XJXKYTNIRRZWIW-CQSZACIVSA-N 2 2 350.419 0.942 10 5 FCBELP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001625504877 1290346103 /nfs/dbraw/zinc/34/61/03/1290346103.db2.gz HABBGLAKLOYTEG-CQSZACIVSA-N 2 2 359.386 0.967 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594821836 547014432 /nfs/dbraw/zinc/01/44/32/547014432.db2.gz OPLFJFZBBBFKAJ-UHFFFAOYSA-N 2 2 362.427 0.896 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594821836 547014433 /nfs/dbraw/zinc/01/44/33/547014433.db2.gz OPLFJFZBBBFKAJ-UHFFFAOYSA-N 2 2 362.427 0.896 10 5 FCBELP Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931217817 1211745877 /nfs/dbraw/zinc/74/58/77/1211745877.db2.gz ZZPRYXHFDRPQFD-UHFFFAOYSA-N 2 2 364.450 0.775 10 5 FCBELP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457098386 489635132 /nfs/dbraw/zinc/63/51/32/489635132.db2.gz LODZMVSLVRFARQ-ZDUSSCGKSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457098386 489635134 /nfs/dbraw/zinc/63/51/34/489635134.db2.gz LODZMVSLVRFARQ-ZDUSSCGKSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000447818540 490278473 /nfs/dbraw/zinc/27/84/73/490278473.db2.gz XFEXIZLNDGWCHT-HNNXBMFYSA-N 2 2 364.446 0.930 10 5 FCBELP C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000447818540 490278478 /nfs/dbraw/zinc/27/84/78/490278478.db2.gz XFEXIZLNDGWCHT-HNNXBMFYSA-N 2 2 364.446 0.930 10 5 FCBELP Cn1cc[nH+]c1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000580379420 491728467 /nfs/dbraw/zinc/72/84/67/491728467.db2.gz ZMKVTHQVBIURNX-UHFFFAOYSA-N 2 2 353.404 0.697 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597989742 492076354 /nfs/dbraw/zinc/07/63/54/492076354.db2.gz IRTLPIBICNCPHA-UHFFFAOYSA-N 2 2 352.391 0.937 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597989742 492076356 /nfs/dbraw/zinc/07/63/56/492076356.db2.gz IRTLPIBICNCPHA-UHFFFAOYSA-N 2 2 352.391 0.937 10 5 FCBELP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000619873564 492280649 /nfs/dbraw/zinc/28/06/49/492280649.db2.gz NPQTUONSQHIBFF-HNNXBMFYSA-N 2 2 370.413 0.900 10 5 FCBELP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000619873564 492280650 /nfs/dbraw/zinc/28/06/50/492280650.db2.gz NPQTUONSQHIBFF-HNNXBMFYSA-N 2 2 370.413 0.900 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594822273 547014217 /nfs/dbraw/zinc/01/42/17/547014217.db2.gz VEXDWWJSSNNDHR-UHFFFAOYSA-N 2 2 350.466 0.818 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594822273 547014221 /nfs/dbraw/zinc/01/42/21/547014221.db2.gz VEXDWWJSSNNDHR-UHFFFAOYSA-N 2 2 350.466 0.818 10 5 FCBELP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000263210861 488606657 /nfs/dbraw/zinc/60/66/57/488606657.db2.gz KGTUZEMFKUNZGA-JQWIXIFHSA-N 2 2 361.345 0.917 10 5 FCBELP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423036824 490526163 /nfs/dbraw/zinc/52/61/63/490526163.db2.gz LQZXYXPBXGVIAF-JKSUJKDBSA-N 2 2 369.443 0.725 10 5 FCBELP COC(=O)COc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600774385 491881698 /nfs/dbraw/zinc/88/16/98/491881698.db2.gz KCOZIAWEWDLEFV-UHFFFAOYSA-N 2 2 353.375 0.744 10 5 FCBELP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000595126600 491887046 /nfs/dbraw/zinc/88/70/46/491887046.db2.gz ZKGBEQAIQJXBRP-UHFFFAOYSA-N 2 2 365.434 0.841 10 5 FCBELP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000595126600 491887049 /nfs/dbraw/zinc/88/70/49/491887049.db2.gz ZKGBEQAIQJXBRP-UHFFFAOYSA-N 2 2 365.434 0.841 10 5 FCBELP O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595892951 491959543 /nfs/dbraw/zinc/95/95/43/491959543.db2.gz SLQFJBYKQKVIDP-LBPRGKRZSA-N 2 2 366.443 0.935 10 5 FCBELP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931287680 674107410 /nfs/dbraw/zinc/10/74/10/674107410.db2.gz AOJJKHJWEXLBMX-MRXNPFEDSA-N 2 2 353.423 0.339 10 5 FCBELP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931287680 674107412 /nfs/dbraw/zinc/10/74/12/674107412.db2.gz AOJJKHJWEXLBMX-MRXNPFEDSA-N 2 2 353.423 0.339 10 5 FCBELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174849590 488851635 /nfs/dbraw/zinc/85/16/35/488851635.db2.gz LALUQXDEIZSRIK-KRWDZBQOSA-N 2 2 366.466 0.518 10 5 FCBELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174849590 488851636 /nfs/dbraw/zinc/85/16/36/488851636.db2.gz LALUQXDEIZSRIK-KRWDZBQOSA-N 2 2 366.466 0.518 10 5 FCBELP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600729802 491879304 /nfs/dbraw/zinc/87/93/04/491879304.db2.gz IDVAAGBAJHFREU-UHFFFAOYSA-N 2 2 354.363 0.430 10 5 FCBELP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600729802 491879306 /nfs/dbraw/zinc/87/93/06/491879306.db2.gz IDVAAGBAJHFREU-UHFFFAOYSA-N 2 2 354.363 0.430 10 5 FCBELP CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611335201 492285925 /nfs/dbraw/zinc/28/59/25/492285925.db2.gz WGJXMMXWPQMZAN-ZDUSSCGKSA-N 2 2 350.423 0.569 10 5 FCBELP CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611335201 492285926 /nfs/dbraw/zinc/28/59/26/492285926.db2.gz WGJXMMXWPQMZAN-ZDUSSCGKSA-N 2 2 350.423 0.569 10 5 FCBELP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392482 1196719606 /nfs/dbraw/zinc/71/96/06/1196719606.db2.gz HCXPOGFAHAWBOQ-UONOGXRCSA-N 2 2 357.370 0.672 10 5 FCBELP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392482 1196719611 /nfs/dbraw/zinc/71/96/11/1196719611.db2.gz HCXPOGFAHAWBOQ-UONOGXRCSA-N 2 2 357.370 0.672 10 5 FCBELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001628254161 1290520589 /nfs/dbraw/zinc/52/05/89/1290520589.db2.gz UVYVGRFIYHUKSP-UHFFFAOYSA-N 2 2 351.407 0.793 10 5 FCBELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001628254161 1290520597 /nfs/dbraw/zinc/52/05/97/1290520597.db2.gz UVYVGRFIYHUKSP-UHFFFAOYSA-N 2 2 351.407 0.793 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000575749008 491558377 /nfs/dbraw/zinc/55/83/77/491558377.db2.gz KVUVFHMFXGCJIF-HOTGVXAUSA-N 2 2 353.419 0.771 10 5 FCBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000575749008 491558379 /nfs/dbraw/zinc/55/83/79/491558379.db2.gz KVUVFHMFXGCJIF-HOTGVXAUSA-N 2 2 353.419 0.771 10 5 FCBELP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000619873565 492280570 /nfs/dbraw/zinc/28/05/70/492280570.db2.gz NPQTUONSQHIBFF-OAHLLOKOSA-N 2 2 370.413 0.900 10 5 FCBELP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000619873565 492280572 /nfs/dbraw/zinc/28/05/72/492280572.db2.gz NPQTUONSQHIBFF-OAHLLOKOSA-N 2 2 370.413 0.900 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000855416309 1209668819 /nfs/dbraw/zinc/66/88/19/1209668819.db2.gz KFLPAWYNNSEICJ-UHFFFAOYSA-N 2 2 362.434 0.944 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000855416309 1209668821 /nfs/dbraw/zinc/66/88/21/1209668821.db2.gz KFLPAWYNNSEICJ-UHFFFAOYSA-N 2 2 362.434 0.944 10 5 FCBELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC001630237727 1290652936 /nfs/dbraw/zinc/65/29/36/1290652936.db2.gz PSPFFBKHGYYGCY-UHFFFAOYSA-N 2 2 364.450 0.961 10 5 FCBELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC001630237727 1290652943 /nfs/dbraw/zinc/65/29/43/1290652943.db2.gz PSPFFBKHGYYGCY-UHFFFAOYSA-N 2 2 364.450 0.961 10 5 FCBELP Cc1c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595124604 491886008 /nfs/dbraw/zinc/88/60/08/491886008.db2.gz HMYPPAHOLJBECU-UHFFFAOYSA-N 2 2 365.434 0.841 10 5 FCBELP Cc1c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595124604 491886009 /nfs/dbraw/zinc/88/60/09/491886009.db2.gz HMYPPAHOLJBECU-UHFFFAOYSA-N 2 2 365.434 0.841 10 5 FCBELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595108464 491884330 /nfs/dbraw/zinc/88/43/30/491884330.db2.gz QGYGXPWWDPKOOB-ZDUSSCGKSA-N 2 2 365.434 0.922 10 5 FCBELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595108464 491884332 /nfs/dbraw/zinc/88/43/32/491884332.db2.gz QGYGXPWWDPKOOB-ZDUSSCGKSA-N 2 2 365.434 0.922 10 5 FCBELP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000595125722 491886552 /nfs/dbraw/zinc/88/65/52/491886552.db2.gz ORZYWDRGRNPNAX-UHFFFAOYSA-N 2 2 365.434 0.841 10 5 FCBELP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000595125722 491886555 /nfs/dbraw/zinc/88/65/55/491886555.db2.gz ORZYWDRGRNPNAX-UHFFFAOYSA-N 2 2 365.434 0.841 10 5 FCBELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599670449 492198872 /nfs/dbraw/zinc/19/88/72/492198872.db2.gz WEBNVABDELJQLI-INIZCTEOSA-N 2 2 367.450 0.729 10 5 FCBELP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000263210863 488606680 /nfs/dbraw/zinc/60/66/80/488606680.db2.gz KGTUZEMFKUNZGA-ZYHUDNBSSA-N 2 2 361.345 0.917 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000578132294 491670556 /nfs/dbraw/zinc/67/05/56/491670556.db2.gz WZPWJPATJXWFQQ-LSDHHAIUSA-N 2 2 353.419 0.771 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000578132294 491670557 /nfs/dbraw/zinc/67/05/57/491670557.db2.gz WZPWJPATJXWFQQ-LSDHHAIUSA-N 2 2 353.419 0.771 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598633368 492110468 /nfs/dbraw/zinc/11/04/68/492110468.db2.gz LWQQMTDIVUYTLP-UHFFFAOYSA-N 2 2 367.454 0.517 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598633368 492110469 /nfs/dbraw/zinc/11/04/69/492110469.db2.gz LWQQMTDIVUYTLP-UHFFFAOYSA-N 2 2 367.454 0.517 10 5 FCBELP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457079535 489634800 /nfs/dbraw/zinc/63/48/00/489634800.db2.gz AEBONASOEYTRQV-ZDUSSCGKSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457079535 489634803 /nfs/dbraw/zinc/63/48/03/489634803.db2.gz AEBONASOEYTRQV-ZDUSSCGKSA-N 2 2 359.386 0.919 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862814 491957465 /nfs/dbraw/zinc/95/74/65/491957465.db2.gz HCUSEIRCTITRJU-HOTGVXAUSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595862814 491957467 /nfs/dbraw/zinc/95/74/67/491957467.db2.gz HCUSEIRCTITRJU-HOTGVXAUSA-N 2 2 365.430 0.866 10 5 FCBELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC001583985323 1282127174 /nfs/dbraw/zinc/12/71/74/1282127174.db2.gz QRUKMGCHWLJRGQ-UHFFFAOYSA-N 2 2 362.434 0.860 10 5 FCBELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174849580 488851663 /nfs/dbraw/zinc/85/16/63/488851663.db2.gz LALUQXDEIZSRIK-QGZVFWFLSA-N 2 2 366.466 0.518 10 5 FCBELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174849580 488851664 /nfs/dbraw/zinc/85/16/64/488851664.db2.gz LALUQXDEIZSRIK-QGZVFWFLSA-N 2 2 366.466 0.518 10 5 FCBELP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423036822 490526247 /nfs/dbraw/zinc/52/62/47/490526247.db2.gz LQZXYXPBXGVIAF-HZPDHXFCSA-N 2 2 369.443 0.725 10 5 FCBELP O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595892949 491959272 /nfs/dbraw/zinc/95/92/72/491959272.db2.gz SLQFJBYKQKVIDP-GFCCVEGCSA-N 2 2 366.443 0.935 10 5 FCBELP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599622527 492194658 /nfs/dbraw/zinc/19/46/58/492194658.db2.gz LEEMHHYETZOCEC-HNNXBMFYSA-N 2 2 353.423 0.339 10 5 FCBELP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000183648023 209150051 /nfs/dbraw/zinc/15/00/51/209150051.db2.gz IAILWTYHOCZRDJ-INIZCTEOSA-N 2 2 362.430 0.926 10 5 FCBELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529891 208131286 /nfs/dbraw/zinc/13/12/86/208131286.db2.gz REPYZEKNVAQRTH-MRXNPFEDSA-N 2 2 363.462 0.858 10 5 FCBELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529891 208131290 /nfs/dbraw/zinc/13/12/90/208131290.db2.gz REPYZEKNVAQRTH-MRXNPFEDSA-N 2 2 363.462 0.858 10 5 FCBELP COc1c[nH+]ccc1N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000483219598 490293856 /nfs/dbraw/zinc/29/38/56/490293856.db2.gz LLGXOYHQGSLTNG-UHFFFAOYSA-N 2 2 359.386 0.982 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862813 491957728 /nfs/dbraw/zinc/95/77/28/491957728.db2.gz HCUSEIRCTITRJU-CVEARBPZSA-N 2 2 365.430 0.866 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862813 491957730 /nfs/dbraw/zinc/95/77/30/491957730.db2.gz HCUSEIRCTITRJU-CVEARBPZSA-N 2 2 365.430 0.866 10 5 FCBELP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387566 1196719649 /nfs/dbraw/zinc/71/96/49/1196719649.db2.gz UKAZGTMQFRWPFV-UONOGXRCSA-N 2 2 357.370 0.672 10 5 FCBELP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387566 1196719653 /nfs/dbraw/zinc/71/96/53/1196719653.db2.gz UKAZGTMQFRWPFV-UONOGXRCSA-N 2 2 357.370 0.672 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000578132291 491670583 /nfs/dbraw/zinc/67/05/83/491670583.db2.gz WZPWJPATJXWFQQ-CABCVRRESA-N 2 2 353.419 0.771 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000578132291 491670584 /nfs/dbraw/zinc/67/05/84/491670584.db2.gz WZPWJPATJXWFQQ-CABCVRRESA-N 2 2 353.419 0.771 10 5 FCBELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136649922 849231807 /nfs/dbraw/zinc/23/18/07/849231807.db2.gz JMSQWBVIMHBSNS-UHFFFAOYSA-N 2 2 350.423 0.670 10 5 FCBELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136649922 849231813 /nfs/dbraw/zinc/23/18/13/849231813.db2.gz JMSQWBVIMHBSNS-UHFFFAOYSA-N 2 2 350.423 0.670 10 5 FCBELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176232848 488857797 /nfs/dbraw/zinc/85/77/97/488857797.db2.gz CUVYVPZYZULJGR-INIZCTEOSA-N 2 2 366.466 0.518 10 5 FCBELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176232848 488857798 /nfs/dbraw/zinc/85/77/98/488857798.db2.gz CUVYVPZYZULJGR-INIZCTEOSA-N 2 2 366.466 0.518 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000578132292 491670618 /nfs/dbraw/zinc/67/06/18/491670618.db2.gz WZPWJPATJXWFQQ-GJZGRUSLSA-N 2 2 353.419 0.771 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000578132292 491670619 /nfs/dbraw/zinc/67/06/19/491670619.db2.gz WZPWJPATJXWFQQ-GJZGRUSLSA-N 2 2 353.419 0.771 10 5 FCBELP O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001625504876 1290346381 /nfs/dbraw/zinc/34/63/81/1290346381.db2.gz HABBGLAKLOYTEG-AWEZNQCLSA-N 2 2 359.386 0.967 10 5 FCBELP C[NH+]1CCC(CNC(=O)c2c[nH]nc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000519529625 490974530 /nfs/dbraw/zinc/97/45/30/490974530.db2.gz YMNDRKAPWJBWSI-UHFFFAOYSA-N 2 2 350.423 0.998 10 5 FCBELP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000187271490 534409120 /nfs/dbraw/zinc/40/91/20/534409120.db2.gz KGILYMSAJBCTBS-CYBMUJFWSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187271490 534409125 /nfs/dbraw/zinc/40/91/25/534409125.db2.gz KGILYMSAJBCTBS-CYBMUJFWSA-N 2 2 359.386 0.919 10 5 FCBELP C[NH+]1CCC(CNC(=O)Cn2ccc([N+](=O)[O-])n2)([NH+]2CCCCC2)CC1 ZINC000172753038 488837492 /nfs/dbraw/zinc/83/74/92/488837492.db2.gz PNFMMQIUVJYGIH-UHFFFAOYSA-N 2 2 364.450 0.858 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000578132293 491670602 /nfs/dbraw/zinc/67/06/02/491670602.db2.gz WZPWJPATJXWFQQ-HUUCEWRRSA-N 2 2 353.419 0.771 10 5 FCBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000578132293 491670603 /nfs/dbraw/zinc/67/06/03/491670603.db2.gz WZPWJPATJXWFQQ-HUUCEWRRSA-N 2 2 353.419 0.771 10 5 FCBELP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599622539 492194945 /nfs/dbraw/zinc/19/49/45/492194945.db2.gz LEEMHHYETZOCEC-OAHLLOKOSA-N 2 2 353.423 0.339 10 5 FCBELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593534632 546971551 /nfs/dbraw/zinc/97/15/51/546971551.db2.gz NSYHZVPINBZYQG-UHFFFAOYSA-N 2 2 371.463 0.636 10 5 FCBELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593534632 546971555 /nfs/dbraw/zinc/97/15/55/546971555.db2.gz NSYHZVPINBZYQG-UHFFFAOYSA-N 2 2 371.463 0.636 10 5 FCBELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC000193604449 209314057 /nfs/dbraw/zinc/31/40/57/209314057.db2.gz DCBCKXQZQYAIQC-IYBDPMFKSA-N 2 2 373.457 0.737 10 5 FCBELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC000193604449 209314062 /nfs/dbraw/zinc/31/40/62/209314062.db2.gz DCBCKXQZQYAIQC-IYBDPMFKSA-N 2 2 373.457 0.737 10 5 FCBELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC000193604449 209314064 /nfs/dbraw/zinc/31/40/64/209314064.db2.gz DCBCKXQZQYAIQC-IYBDPMFKSA-N 2 2 373.457 0.737 10 5 FCBELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC000193604449 209314068 /nfs/dbraw/zinc/31/40/68/209314068.db2.gz DCBCKXQZQYAIQC-IYBDPMFKSA-N 2 2 373.457 0.737 10 5 FCBELP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@@H+]1CCO ZINC000450808599 490491960 /nfs/dbraw/zinc/49/19/60/490491960.db2.gz IHTOKCRODAJUGX-CYBMUJFWSA-N 2 2 359.386 0.919 10 5 FCBELP C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC[N@H+]1CCO ZINC000450808599 490491961 /nfs/dbraw/zinc/49/19/61/490491961.db2.gz IHTOKCRODAJUGX-CYBMUJFWSA-N 2 2 359.386 0.919 10 5 FCBELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597990382 492076631 /nfs/dbraw/zinc/07/66/31/492076631.db2.gz UOJBDKYMWYBZDD-UHFFFAOYSA-N 2 2 352.391 0.937 10 5 FCBELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597990382 492076633 /nfs/dbraw/zinc/07/66/33/492076633.db2.gz UOJBDKYMWYBZDD-UHFFFAOYSA-N 2 2 352.391 0.937 10 5 FCBELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594755461 547005122 /nfs/dbraw/zinc/00/51/22/547005122.db2.gz MKZCMOKAHGSLCF-UHFFFAOYSA-N 2 2 371.463 0.636 10 5 FCBELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594755461 547005124 /nfs/dbraw/zinc/00/51/24/547005124.db2.gz MKZCMOKAHGSLCF-UHFFFAOYSA-N 2 2 371.463 0.636 10 5 FCBELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594802741 547012841 /nfs/dbraw/zinc/01/28/41/547012841.db2.gz APWHUYCYKMFILP-LBPRGKRZSA-N 2 2 359.452 0.540 10 5 FCBELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594802741 547012843 /nfs/dbraw/zinc/01/28/43/547012843.db2.gz APWHUYCYKMFILP-LBPRGKRZSA-N 2 2 359.452 0.540 10 5 FCBELP