smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001136604599 849229571 /nfs/dbraw/zinc/22/95/71/849229571.db2.gz KWFHBQCCNCIDKA-LBPRGKRZSA-N 1 0 370.431 0.799 10 5 FCBERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001137732410 849280566 /nfs/dbraw/zinc/28/05/66/849280566.db2.gz FHYYNGYFERPODP-INIZCTEOSA-N 1 0 353.375 0.799 10 5 FCBERO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001138154580 849301046 /nfs/dbraw/zinc/30/10/46/849301046.db2.gz ONMTVKBQNHNJJQ-SNVBAGLBSA-N 1 0 356.404 0.266 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N(C)CC[N@H+](C)CCO ZINC001149205952 849631941 /nfs/dbraw/zinc/63/19/41/849631941.db2.gz NSYVCYINBJRRRT-UHFFFAOYSA-N 1 0 356.354 0.688 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001261523012 858579013 /nfs/dbraw/zinc/57/90/13/858579013.db2.gz KZFIKSBNWJBRTC-UHFFFAOYSA-N 1 0 350.375 0.465 10 5 FCBERO [NH3+]C1CCN([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001261604794 858602102 /nfs/dbraw/zinc/60/21/02/858602102.db2.gz RHCBFOHOXCUDFQ-CYBMUJFWSA-N 1 0 355.420 0.176 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001261819086 858676055 /nfs/dbraw/zinc/67/60/55/858676055.db2.gz PQBRNZNDVWBPOG-JQWIXIFHSA-N 1 0 350.375 0.476 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1nccs1 ZINC001264419800 859352856 /nfs/dbraw/zinc/35/28/56/859352856.db2.gz FELVJGAOSVKCCM-GWOFURMSSA-N 1 0 353.404 0.231 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC(C1CC1)C1CC1 ZINC001265538500 859461349 /nfs/dbraw/zinc/46/13/49/859461349.db2.gz BPDJDCVAEZICKM-XJFOESAGSA-N 1 0 350.419 0.193 10 5 FCBERO CN(CC[NH2+]CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267370656 859504632 /nfs/dbraw/zinc/50/46/32/859504632.db2.gz CIHGWMKAGOLDRQ-ZIAGYGMSSA-N 1 0 368.821 0.669 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCCCC1 ZINC001269411897 859548805 /nfs/dbraw/zinc/54/88/05/859548805.db2.gz XDMUIVRHOYTURY-ZIAGYGMSSA-N 1 0 352.435 0.729 10 5 FCBERO CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001271736662 860003208 /nfs/dbraw/zinc/00/32/08/860003208.db2.gz OSAPWWKNUGGDNO-XLWJZTARSA-N 1 0 352.435 0.535 10 5 FCBERO Cc1csc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001274515862 860767920 /nfs/dbraw/zinc/76/79/20/860767920.db2.gz LXGMAPGRWMRHLN-VXGBXAGGSA-N 1 0 354.432 0.560 10 5 FCBERO CC(C)N(CCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001281290605 863510741 /nfs/dbraw/zinc/51/07/41/863510741.db2.gz UDHJWYIHVYLRBY-HUUCEWRRSA-N 1 0 354.451 0.831 10 5 FCBERO CC[NH+](CC)C[C@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001292965485 865764263 /nfs/dbraw/zinc/76/42/63/865764263.db2.gz BTBPKNUIMZUDGC-LBPRGKRZSA-N 1 0 372.447 0.720 10 5 FCBERO C[N@@H+]1CC[C@H](CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001293316377 865785575 /nfs/dbraw/zinc/78/55/75/865785575.db2.gz ARUHFORBCWNUGU-GFCCVEGCSA-N 1 0 370.431 0.331 10 5 FCBERO C[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001299867901 866198752 /nfs/dbraw/zinc/19/87/52/866198752.db2.gz ICJJLXSCSTZHKI-NSHDSACASA-N 1 0 358.420 0.282 10 5 FCBERO C[NH+]1CCC2(CC1)CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)CCO2 ZINC001349458193 866344266 /nfs/dbraw/zinc/34/42/66/866344266.db2.gz SKEXNWABRNMLMG-UHFFFAOYSA-N 1 0 350.375 0.080 10 5 FCBERO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001350366635 866577258 /nfs/dbraw/zinc/57/72/58/866577258.db2.gz ZLUJUGBGKQWYBJ-LBPRGKRZSA-N 1 0 356.404 0.210 10 5 FCBERO CC(C)(C)CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001319352204 867895019 /nfs/dbraw/zinc/89/50/19/867895019.db2.gz SGCSWEMOSNRTGZ-CHWSQXEVSA-N 1 0 354.451 0.833 10 5 FCBERO Cc1nn(C)c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC001329032758 871786490 /nfs/dbraw/zinc/78/64/90/871786490.db2.gz LHSZBKYBGGGVMC-UHFFFAOYSA-N 1 0 351.407 0.964 10 5 FCBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001348306380 872661730 /nfs/dbraw/zinc/66/17/30/872661730.db2.gz CYARYKWSOCHNGO-NWDGAFQWSA-N 1 0 350.375 0.476 10 5 FCBERO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265294022 210089061 /nfs/dbraw/zinc/08/90/61/210089061.db2.gz KWSFBWLTUAOLTI-NSHDSACASA-N 1 0 356.404 0.547 10 5 FCBERO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000284999276 213264359 /nfs/dbraw/zinc/26/43/59/213264359.db2.gz YMXUVASUTYVNQU-IRXDYDNUSA-N 1 0 360.414 0.889 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366760484 216027649 /nfs/dbraw/zinc/02/76/49/216027649.db2.gz SLXCSSZNJNHFDS-HUUCEWRRSA-N 1 0 362.386 0.821 10 5 FCBERO Cc1c(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261840201 209487553 /nfs/dbraw/zinc/48/75/53/209487553.db2.gz IRCXSHNDDJXJID-CYBMUJFWSA-N 1 0 370.431 0.750 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000191774106 209289514 /nfs/dbraw/zinc/28/95/14/209289514.db2.gz ORJBLQOBLHAHCT-UHFFFAOYSA-N 1 0 351.407 0.996 10 5 FCBERO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCCO)CC1 ZINC000186237610 209188693 /nfs/dbraw/zinc/18/86/93/209188693.db2.gz LSLMCJLDCLFXPV-UHFFFAOYSA-N 1 0 361.395 0.731 10 5 FCBERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](C)O2 ZINC000374023763 217085860 /nfs/dbraw/zinc/08/58/60/217085860.db2.gz BZBYFWWRFMRQFT-BFJAYTPKSA-N 1 0 354.407 0.811 10 5 FCBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000439118339 248110979 /nfs/dbraw/zinc/11/09/79/248110979.db2.gz KPAPVXIWHRBADJ-LLVKDONJSA-N 1 0 360.436 0.747 10 5 FCBERO CC1CC[NH+](CC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092518698 208146052 /nfs/dbraw/zinc/14/60/52/208146052.db2.gz MXNHOQDSPUNXKY-WBVHZDCISA-N 1 0 351.403 0.837 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000107356752 208239594 /nfs/dbraw/zinc/23/95/94/208239594.db2.gz WVUJHYORJQSCLU-CYBMUJFWSA-N 1 0 363.418 0.938 10 5 FCBERO Cc1nn(C)c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000107282171 208240736 /nfs/dbraw/zinc/24/07/36/208240736.db2.gz LPRHOHRDUKOENQ-CQSZACIVSA-N 1 0 364.450 0.879 10 5 FCBERO O=C([C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCOCC1 ZINC000179313470 209075922 /nfs/dbraw/zinc/07/59/22/209075922.db2.gz KFUIXBSFRGILNG-CQSZACIVSA-N 1 0 364.402 0.327 10 5 FCBERO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060433 488914308 /nfs/dbraw/zinc/91/43/08/488914308.db2.gz LMOASAALNDUNPA-LRDDRELGSA-N 1 0 364.358 0.009 10 5 FCBERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000364340991 488948755 /nfs/dbraw/zinc/94/87/55/488948755.db2.gz SSMPMUBVBMHONU-ZIAGYGMSSA-N 1 0 353.375 0.799 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000191763306 488421530 /nfs/dbraw/zinc/42/15/30/488421530.db2.gz FNZMWEUDACDSMX-UHFFFAOYSA-N 1 0 373.417 0.888 10 5 FCBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246777243 488475650 /nfs/dbraw/zinc/47/56/50/488475650.db2.gz SFRJDZPNRZEMAM-GDBMZVCRSA-N 1 0 363.422 0.773 10 5 FCBERO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1C[C@H](C)O ZINC000247022842 488480067 /nfs/dbraw/zinc/48/00/67/488480067.db2.gz WVRCKWZCTRZADK-GXTWGEPZSA-N 1 0 353.423 0.793 10 5 FCBERO COCC[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248373391 488495084 /nfs/dbraw/zinc/49/50/84/488495084.db2.gz IPKJOXRTHIIGIH-LSDHHAIUSA-N 1 0 353.419 0.987 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CCN(Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000109688657 488523507 /nfs/dbraw/zinc/52/35/07/488523507.db2.gz KZACAGVPYOHQQF-UHFFFAOYSA-N 1 0 361.406 0.962 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCNC[C@H]2c2cccnc2)c([N+](=O)[O-])n1 ZINC000261660811 488529384 /nfs/dbraw/zinc/52/93/84/488529384.db2.gz IFEQKYSOCXATJI-LBPRGKRZSA-N 1 0 366.403 0.541 10 5 FCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262294712 488562208 /nfs/dbraw/zinc/56/22/08/488562208.db2.gz OYZJHMVJWUXXHC-PELKAZGASA-N 1 0 363.292 0.846 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000273048867 488628176 /nfs/dbraw/zinc/62/81/76/488628176.db2.gz FDZSJDGKQYEWKT-CQSZACIVSA-N 1 0 359.386 0.825 10 5 FCBERO Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000153186136 488727790 /nfs/dbraw/zinc/72/77/90/488727790.db2.gz WQYXMNIRJGCVNA-QWHCGFSZSA-N 1 0 352.347 0.823 10 5 FCBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000266803661 488732206 /nfs/dbraw/zinc/73/22/06/488732206.db2.gz DHYZVYQEDDLFGN-NSHDSACASA-N 1 0 370.431 0.622 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290619975 489153384 /nfs/dbraw/zinc/15/33/84/489153384.db2.gz LIHVQPIPXNSYCC-CYBMUJFWSA-N 1 0 362.434 0.695 10 5 FCBERO CC[C@H](Cn1cncn1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000570368802 491236514 /nfs/dbraw/zinc/23/65/14/491236514.db2.gz ATJWEFLHZNRIFF-GFCCVEGCSA-N 1 0 368.419 0.533 10 5 FCBERO COC(=O)c1cc(C)nc(N2CCN(C[C@@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000286722384 489421045 /nfs/dbraw/zinc/42/10/45/489421045.db2.gz FBYCXVXBOVFVJQ-VXGBXAGGSA-N 1 0 352.391 0.976 10 5 FCBERO CNS(=O)(=O)c1ccc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000371801265 489510572 /nfs/dbraw/zinc/51/05/72/489510572.db2.gz FSWJDDKXQKVYJG-LLVKDONJSA-N 1 0 356.404 0.024 10 5 FCBERO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451673279 489516685 /nfs/dbraw/zinc/51/66/85/489516685.db2.gz VDMVSMMGRBGLCA-HNNXBMFYSA-N 1 0 371.459 0.904 10 5 FCBERO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415551484 489529293 /nfs/dbraw/zinc/52/92/93/489529293.db2.gz OHIOUXPHICDRLR-UHFFFAOYSA-N 1 0 359.180 0.974 10 5 FCBERO C[C@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000426488529 489571312 /nfs/dbraw/zinc/57/13/12/489571312.db2.gz VPSXRHJCEXSGFR-ZDUSSCGKSA-N 1 0 364.402 0.891 10 5 FCBERO Cc1nn(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000416302727 489580500 /nfs/dbraw/zinc/58/05/00/489580500.db2.gz WYNDDJZCGVHAFH-NEPJUHHUSA-N 1 0 353.423 0.712 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000416374243 489586224 /nfs/dbraw/zinc/58/62/24/489586224.db2.gz QUGIZTJELWXXOR-UHFFFAOYSA-N 1 0 357.388 0.754 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427154459 489596564 /nfs/dbraw/zinc/59/65/64/489596564.db2.gz HNVLYQIGISONAQ-CYBMUJFWSA-N 1 0 352.395 0.290 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416483823 489600058 /nfs/dbraw/zinc/60/00/58/489600058.db2.gz OEWWIRCLCVWOTD-JTQLQIEISA-N 1 0 359.404 0.857 10 5 FCBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020905 489676053 /nfs/dbraw/zinc/67/60/53/489676053.db2.gz OLENCSYOXDVHOL-SMDDNHRTSA-N 1 0 370.431 0.666 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000420444349 489977338 /nfs/dbraw/zinc/97/73/38/489977338.db2.gz CNXSMODQZHMMIL-UHFFFAOYSA-N 1 0 357.388 0.802 10 5 FCBERO COc1c[nH+]ccc1N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000478461389 490020160 /nfs/dbraw/zinc/02/01/60/490020160.db2.gz QQOTXMPEXZZQSF-UHFFFAOYSA-N 1 0 358.358 0.938 10 5 FCBERO CC1(C)[NH2+]CC[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449756806 490426281 /nfs/dbraw/zinc/42/62/81/490426281.db2.gz WZIAIRIWYVIKLG-CYBMUJFWSA-N 1 0 370.431 0.520 10 5 FCBERO O=C1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1 ZINC000564857208 491331736 /nfs/dbraw/zinc/33/17/36/491331736.db2.gz ZBRYZHYFYPZYKB-HOTGVXAUSA-N 1 0 359.386 0.937 10 5 FCBERO O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1 ZINC000564857207 491331846 /nfs/dbraw/zinc/33/18/46/491331846.db2.gz ZBRYZHYFYPZYKB-CVEARBPZSA-N 1 0 359.386 0.937 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422956013 490505948 /nfs/dbraw/zinc/50/59/48/490505948.db2.gz ODOJHPACBNCAKI-UHFFFAOYSA-N 1 0 362.386 0.574 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451151636 490521467 /nfs/dbraw/zinc/52/14/67/490521467.db2.gz XINYKZFOABQBJW-ZBFHGGJFSA-N 1 0 364.402 0.947 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000510698238 490535430 /nfs/dbraw/zinc/53/54/30/490535430.db2.gz JKQLHIZFAUXBNB-ZDUSSCGKSA-N 1 0 370.431 0.985 10 5 FCBERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000514085860 490761765 /nfs/dbraw/zinc/76/17/65/490761765.db2.gz ZMHQVFNLJJUJMW-OLZOCXBDSA-N 1 0 369.447 0.758 10 5 FCBERO 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ACRWGVXGGAXGLG-NSHDSACASA-N 1 0 370.431 0.717 10 5 FCBERO CCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598038931 492081298 /nfs/dbraw/zinc/08/12/98/492081298.db2.gz HKZGHJBHISOFDM-LBPRGKRZSA-N 1 0 370.431 0.799 10 5 FCBERO CC[NH+]1CCN(CCCNc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598591111 492106121 /nfs/dbraw/zinc/10/61/21/492106121.db2.gz SQGJEWRYIJQWSF-UHFFFAOYSA-N 1 0 351.407 1.216 10 5 FCBERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599106674 492135901 /nfs/dbraw/zinc/13/59/01/492135901.db2.gz GWDQKVNDAHGVSD-VHSXEESVSA-N 1 0 357.388 0.785 10 5 FCBERO COc1c(F)cc(S(=O)(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599110225 492136369 /nfs/dbraw/zinc/13/63/69/492136369.db2.gz LYWXUAAIILWMLD-UHFFFAOYSA-N 1 0 351.356 0.386 10 5 FCBERO C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000599311931 492158339 /nfs/dbraw/zinc/15/83/39/492158339.db2.gz NGOALVNUVWIISN-NSHDSACASA-N 1 0 357.436 0.823 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000599542621 492185621 /nfs/dbraw/zinc/18/56/21/492185621.db2.gz COQLWPMFBXMEGR-DZGCQCFKSA-N 1 0 354.407 0.406 10 5 FCBERO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599568648 492189116 /nfs/dbraw/zinc/18/91/16/492189116.db2.gz HJKUEELKUSISEH-XJKSGUPXSA-N 1 0 354.359 0.598 10 5 FCBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000599586479 492191366 /nfs/dbraw/zinc/19/13/66/492191366.db2.gz ITQKPFPXJKEVIQ-UHFFFAOYSA-N 1 0 362.390 0.770 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007692 492228336 /nfs/dbraw/zinc/22/83/36/492228336.db2.gz XPNFVOSXRXXATO-UHFFFAOYSA-N 1 0 351.407 0.813 10 5 FCBERO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593597483 546721680 /nfs/dbraw/zinc/72/16/80/546721680.db2.gz YVUXJLIKWYNCTR-UHFFFAOYSA-N 1 0 359.452 0.494 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000592475893 546951537 /nfs/dbraw/zinc/95/15/37/546951537.db2.gz UVSTWRNUXKVMIG-ZDUSSCGKSA-N 1 0 354.432 0.511 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593235641 546964248 /nfs/dbraw/zinc/96/42/48/546964248.db2.gz XDBKURUXWHTXAW-UHFFFAOYSA-N 1 0 366.443 0.919 10 5 FCBERO COC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000593339236 546967775 /nfs/dbraw/zinc/96/77/75/546967775.db2.gz GNZYAWGBWBPOLP-GFCCVEGCSA-N 1 0 353.375 0.369 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593749806 546990856 /nfs/dbraw/zinc/99/08/56/546990856.db2.gz XELQTTLBASGEEF-LLVKDONJSA-N 1 0 352.366 0.855 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C[NH3+] ZINC000593770799 546991393 /nfs/dbraw/zinc/99/13/93/546991393.db2.gz NOJACLAXDJDIBH-BXUZGUMPSA-N 1 0 350.375 0.664 10 5 FCBERO CCO[C@@H]1CN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916388 546994958 /nfs/dbraw/zinc/99/49/58/546994958.db2.gz 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COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027920 1196847318 /nfs/dbraw/zinc/84/73/18/1196847318.db2.gz VMHLMCQGKGXCRM-FRRDWIJNSA-N 1 0 364.402 0.681 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027349 1196847414 /nfs/dbraw/zinc/84/74/14/1196847414.db2.gz NIABQOREODGZTO-FPMFFAJLSA-N 1 0 364.402 0.681 10 5 FCBERO CCN(CCNCc1nncn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273375310 1198051983 /nfs/dbraw/zinc/05/19/83/1198051983.db2.gz ROGUNWWHHNFWNW-HUUCEWRRSA-N 1 0 358.402 0.871 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC001136629839 1203236719 /nfs/dbraw/zinc/23/67/19/1203236719.db2.gz YERVBSCCVPNWFF-UHFFFAOYSA-N 1 0 366.422 0.484 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001175127523 1206300590 /nfs/dbraw/zinc/30/05/90/1206300590.db2.gz HIETXTBNWNENJY-QGZVFWFLSA-N 1 0 359.386 0.919 10 5 FCBERO COC(=O)[C@@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175669983 1206306963 /nfs/dbraw/zinc/30/69/63/1206306963.db2.gz XNZPHQDMMXRUIB-MRXNPFEDSA-N 1 0 367.358 0.542 10 5 FCBERO COc1ccc(OCC[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001196829905 1208109009 /nfs/dbraw/zinc/10/90/09/1208109009.db2.gz HUNNUTAMPCHIFW-IRXDYDNUSA-N 1 0 363.370 0.967 10 5 FCBERO CC(C)(C)CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001488729696 1208549535 /nfs/dbraw/zinc/54/95/35/1208549535.db2.gz JWFLOPUTFXODCR-XJFOESAGSA-N 1 0 354.451 0.688 10 5 FCBERO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(S(C)(=O)=O)c1 ZINC001490193821 1209275067 /nfs/dbraw/zinc/27/50/67/1209275067.db2.gz YWUOVFYVTYTURR-HUUCEWRRSA-N 1 0 369.443 0.693 10 5 FCBERO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863569868 1209945017 /nfs/dbraw/zinc/94/50/17/1209945017.db2.gz BCJJXWHWEWEDON-FUHWJXTLSA-N 1 0 365.430 0.834 10 5 FCBERO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863569867 1209945178 /nfs/dbraw/zinc/94/51/78/1209945178.db2.gz BCJJXWHWEWEDON-AEFFLSMTSA-N 1 0 365.430 0.834 10 5 FCBERO CN(Cc1ccco1)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001491017080 1220071124 /nfs/dbraw/zinc/07/11/24/1220071124.db2.gz BQVLFECKIJQDPB-ZMJPVWNMSA-N 1 0 350.375 0.140 10 5 FCBERO CN1CC[NH+](CC2(C)CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC001116584117 1221372646 /nfs/dbraw/zinc/37/26/46/1221372646.db2.gz AKGMIXODPMDBOX-UHFFFAOYSA-N 1 0 365.438 0.062 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000834569330 1222579291 /nfs/dbraw/zinc/57/92/91/1222579291.db2.gz MXZKWQSSMREKBO-KRWDZBQOSA-N 1 0 365.386 0.701 10 5 FCBERO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001141655070 1222747063 /nfs/dbraw/zinc/74/70/63/1222747063.db2.gz ZSDJMIVZZLXSPP-LBPRGKRZSA-N 1 0 365.386 0.943 10 5 FCBERO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000843316010 1222870067 /nfs/dbraw/zinc/87/00/67/1222870067.db2.gz GTLICOWHOMZWJV-UHFFFAOYSA-N 1 0 365.346 0.315 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001330579537 1266063390 /nfs/dbraw/zinc/06/33/90/1266063390.db2.gz VCXOWHPGNIQVMS-HZPDHXFCSA-N 1 0 360.414 0.949 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001331736863 1266275520 /nfs/dbraw/zinc/27/55/20/1266275520.db2.gz ALGAAUZSBKBLAN-CYBMUJFWSA-N 1 0 366.418 0.775 10 5 FCBERO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001251660290 1259755294 /nfs/dbraw/zinc/75/52/94/1259755294.db2.gz NQZWPIYRPYZDED-AWEZNQCLSA-N 1 0 364.450 0.942 10 5 FCBERO COc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cn1 ZINC001281241459 1261097009 /nfs/dbraw/zinc/09/70/09/1261097009.db2.gz GRGKDOQNSONXJB-ZIAGYGMSSA-N 1 0 364.402 0.510 10 5 FCBERO C[N@@H+]1C[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(C)(C)C1 ZINC001472025895 1261426568 /nfs/dbraw/zinc/42/65/68/1261426568.db2.gz HYCOJSNLRZYFQK-LBPRGKRZSA-N 1 0 360.370 0.647 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N2CC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001472857044 1261485182 /nfs/dbraw/zinc/48/51/82/1261485182.db2.gz UUHPAVHOBREFLM-OAHLLOKOSA-N 1 0 372.447 0.348 10 5 FCBERO COC1(OC)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC001473751647 1261494277 /nfs/dbraw/zinc/49/42/77/1261494277.db2.gz KVFZETNDALSBBG-DOMZBBRYSA-N 1 0 356.375 0.390 10 5 FCBERO Nc1ncc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001293982000 1262724229 /nfs/dbraw/zinc/72/42/29/1262724229.db2.gz LNFQBHIRRXFFDY-GOSISDBHSA-N 1 0 371.397 0.939 10 5 FCBERO CN(CCCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001294339879 1262731265 /nfs/dbraw/zinc/73/12/65/1262731265.db2.gz CXGXDDZWJDWIAC-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO O=C(NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)C12CCC[NH+](CCC1)C2 ZINC001296596668 1262824582 /nfs/dbraw/zinc/82/45/82/1262824582.db2.gz XPBJEBQABLJLOF-HUUCEWRRSA-N 1 0 364.446 0.635 10 5 FCBERO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298083584 1262910119 /nfs/dbraw/zinc/91/01/19/1262910119.db2.gz LIIPUYWNXOQIBU-AWEZNQCLSA-N 1 0 374.401 0.752 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1cc(F)cc(F)c1 ZINC001480137409 1263423553 /nfs/dbraw/zinc/42/35/53/1263423553.db2.gz AVQULANJDOPMJX-FMKGYKFTSA-N 1 0 368.340 0.805 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCC1CCCCC1 ZINC001480203667 1263426196 /nfs/dbraw/zinc/42/61/96/1263426196.db2.gz SHUCLYUZXUNTBU-QKPAOTATSA-N 1 0 366.462 0.975 10 5 FCBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC(=O)NCC2CC2)CC1 ZINC001484136011 1263455313 /nfs/dbraw/zinc/45/53/13/1263455313.db2.gz QYMOJHHURBRIBE-ZIAGYGMSSA-N 1 0 352.435 0.396 10 5 FCBERO CCc1nc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001484953752 1263494247 /nfs/dbraw/zinc/49/42/47/1263494247.db2.gz YRIARLIDHFLNRE-CHWSQXEVSA-N 1 0 368.459 0.814 10 5 FCBERO CN(CC[NH2+]CC(=O)N(C)Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493545887 1263725542 /nfs/dbraw/zinc/72/55/42/1263725542.db2.gz RIWLXWSJWZOKRV-HUUCEWRRSA-N 1 0 366.393 0.497 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CC=C(Cl)Cl)CC1 ZINC001502869574 1264183289 /nfs/dbraw/zinc/18/32/89/1264183289.db2.gz VQHLDNOWCQQDPF-NXEZZACHSA-N 1 0 352.218 0.914 10 5 FCBERO C[NH+](C)CC1(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)CC1 ZINC001512295574 1264615718 /nfs/dbraw/zinc/61/57/18/1264615718.db2.gz JWMJWXIUTYMEOZ-CHWSQXEVSA-N 1 0 350.419 0.054 10 5 FCBERO CC(C)N(C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)C(C)C ZINC001325737546 1264982081 /nfs/dbraw/zinc/98/20/81/1264982081.db2.gz WWVGVCSUABRSOB-QKPAOTATSA-N 1 0 366.462 0.687 10 5 FCBERO CCC(C)(C)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001327635702 1265381135 /nfs/dbraw/zinc/38/11/35/1265381135.db2.gz VFYBAHAIZPPKOX-CHWSQXEVSA-N 1 0 370.450 0.211 10 5 FCBERO C[N@@H+]1CCC[C@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001543157402 1267528393 /nfs/dbraw/zinc/52/83/93/1267528393.db2.gz HTNIKPFUSRAUJS-NSHDSACASA-N 1 0 352.416 0.996 10 5 FCBERO C[NH+](C)CCn1cc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001557939366 1268993727 /nfs/dbraw/zinc/99/37/27/1268993727.db2.gz WIHWQLCBTJBMMX-QGZVFWFLSA-N 1 0 361.402 0.990 10 5 FCBERO CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC001558498665 1269101221 /nfs/dbraw/zinc/10/12/21/1269101221.db2.gz HZBRRCVWWKVOJO-AWEZNQCLSA-N 1 0 363.418 0.995 10 5 FCBERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001566989853 1269672738 /nfs/dbraw/zinc/67/27/38/1269672738.db2.gz SFXTXZPZWISSHH-NWDGAFQWSA-N 1 0 370.431 0.424 10 5 FCBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001567356113 1269691321 /nfs/dbraw/zinc/69/13/21/1269691321.db2.gz NIYBQYQRTCNOIL-GFCCVEGCSA-N 1 0 370.431 0.845 10 5 FCBERO CC(C)(C)NC(=O)NCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001569875368 1269812452 /nfs/dbraw/zinc/81/24/52/1269812452.db2.gz BEPZFGSSWONSLQ-XJFOESAGSA-N 1 0 367.450 0.140 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCOCCO)CC2 ZINC001570485191 1269892327 /nfs/dbraw/zinc/89/23/27/1269892327.db2.gz DTJDHSNGFNIBDG-HUUCEWRRSA-N 1 0 355.435 0.365 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccccc1F ZINC001713192531 1287269525 /nfs/dbraw/zinc/26/95/25/1287269525.db2.gz PERWLQZTHSZJDE-FBKDDSFISA-N 1 0 350.350 0.666 10 5 FCBERO CN(CC[NH2+]CC(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591331 1287286930 /nfs/dbraw/zinc/28/69/30/1287286930.db2.gz JTJRAQZIPIVBTQ-CHWSQXEVSA-N 1 0 354.794 0.992 10 5 FCBERO CC(C)(C)CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001716903978 1287393326 /nfs/dbraw/zinc/39/33/26/1287393326.db2.gz AQLIEFCNKPXKOM-CHWSQXEVSA-N 1 0 370.450 0.069 10 5 FCBERO CCC[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001718234532 1287485405 /nfs/dbraw/zinc/48/54/05/1287485405.db2.gz BRLZJRFZYPCGQJ-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993635 1282129407 /nfs/dbraw/zinc/12/94/07/1282129407.db2.gz DRTHWWAFWQJOGJ-KBPBESRZSA-N 1 0 372.385 0.769 10 5 FCBERO COc1ccc(C(=O)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001587092003 1282329726 /nfs/dbraw/zinc/32/97/26/1282329726.db2.gz YEAHJHLWFMSBKX-QGZVFWFLSA-N 1 0 365.386 0.749 10 5 FCBERO C[N@@H+]1CC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001638901644 1282733584 /nfs/dbraw/zinc/73/35/84/1282733584.db2.gz UWVYBMGAFGRJHT-GFCCVEGCSA-N 1 0 356.404 0.084 10 5 FCBERO C[N@H+](CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)CC(C)(C)C ZINC001718937242 1287596659 /nfs/dbraw/zinc/59/66/59/1287596659.db2.gz LVCDGCOLBZMQQN-ZIAGYGMSSA-N 1 0 366.462 0.690 10 5 FCBERO C[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001596175531 1286287772 /nfs/dbraw/zinc/28/77/72/1286287772.db2.gz PLMGOHFAOQSNRI-GXTWGEPZSA-N 1 0 362.434 0.670 10 5 FCBERO Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC001707083513 1286436768 /nfs/dbraw/zinc/43/67/68/1286436768.db2.gz SUULNXRSXNDCPH-DDHJBXDOSA-N 1 0 351.363 0.071 10 5 FCBERO O=C(NC1(C[NH2+]Cc2cncc(F)c2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724914995 1288454169 /nfs/dbraw/zinc/45/41/69/1288454169.db2.gz HLRBBXCLOCEEJA-ZIAGYGMSSA-N 1 0 352.366 0.641 10 5 FCBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(C(=O)N(C)C)c1 ZINC001731803854 1288566079 /nfs/dbraw/zinc/56/60/79/1288566079.db2.gz VHJKCJBUODFFBM-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO O=C(NC/C=C/C[NH2+]Cc1cnc(C(F)(F)F)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732849407 1288595400 /nfs/dbraw/zinc/59/54/00/1288595400.db2.gz DUDYPAUIIYWPOC-COUIAZAYSA-N 1 0 359.308 0.923 10 5 FCBERO CCN(C)C(=O)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733278354 1288607908 /nfs/dbraw/zinc/60/79/08/1288607908.db2.gz XTEUDRBFNPIVRL-HZPDHXFCSA-N 1 0 366.462 0.833 10 5 FCBERO Cc1ncsc1CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733913516 1288635566 /nfs/dbraw/zinc/63/55/66/1288635566.db2.gz RXTVNORPWAASPV-CHWSQXEVSA-N 1 0 368.459 0.602 10 5 FCBERO O=C(C[NH+]1CCCC1)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001735626592 1288759403 /nfs/dbraw/zinc/75/94/03/1288759403.db2.gz PQNBUOUNQHSKNY-HUUCEWRRSA-N 1 0 350.419 0.412 10 5 FCBERO C[NH+]1CCC(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001610933528 1289621126 /nfs/dbraw/zinc/62/11/26/1289621126.db2.gz GQKXUGSUCIYQJR-UHFFFAOYSA-N 1 0 370.431 0.331 10 5 FCBERO C[NH+](C)C1(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCC1 ZINC001701413034 1289653249 /nfs/dbraw/zinc/65/32/49/1289653249.db2.gz LKUFXEGXFYVRCC-KBUPBQIOSA-N 1 0 366.462 0.927 10 5 FCBERO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001612950794 1289707021 /nfs/dbraw/zinc/70/70/21/1289707021.db2.gz WOIDVXWUFXPZHN-YGRLFVJLSA-N 1 0 357.436 0.288 10 5 FCBERO C[NH+](C)CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001739240708 1289825244 /nfs/dbraw/zinc/82/52/44/1289825244.db2.gz QQWFETBKZDDERH-LXTVHRRPSA-N 1 0 364.446 0.585 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC001618530006 1289917555 /nfs/dbraw/zinc/91/75/55/1289917555.db2.gz UULIOGHOBHJJMZ-BXUZGUMPSA-N 1 0 353.375 0.919 10 5 FCBERO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@]1(O)CCCOC1 ZINC001618805226 1289939320 /nfs/dbraw/zinc/93/93/20/1289939320.db2.gz XAZGEPWUNYQEHC-HNNXBMFYSA-N 1 0 373.431 0.346 10 5 FCBERO COCCC[N@H+](C)CCNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001620787427 1290020978 /nfs/dbraw/zinc/02/09/78/1290020978.db2.gz XLHDPMIIEKWTDK-UHFFFAOYSA-N 1 0 362.390 0.874 10 5 FCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC001622414820 1290128059 /nfs/dbraw/zinc/12/80/59/1290128059.db2.gz RZZFWUNPNFRYRQ-SFHVURJKSA-N 1 0 373.413 0.935 10 5 FCBERO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001627135203 1290439511 /nfs/dbraw/zinc/43/95/11/1290439511.db2.gz SDSJNFXBGYJPSN-JTQLQIEISA-N 1 0 358.830 0.975 10 5 FCBERO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccc(C[NH+](C)C)c1 ZINC001743455698 1290567636 /nfs/dbraw/zinc/56/76/36/1290567636.db2.gz AQVQQVMKLPLVNL-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001629591124 1290613674 /nfs/dbraw/zinc/61/36/74/1290613674.db2.gz ORYRSRXTDCYRAC-DOMZBBRYSA-N 1 0 363.418 0.075 10 5 FCBERO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001629787571 1290625567 /nfs/dbraw/zinc/62/55/67/1290625567.db2.gz SADNPCGTEKQPNV-KRWDZBQOSA-N 1 0 363.418 0.485 10 5 FCBERO CC(C)(O)C[C@@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001643253344 1290865779 /nfs/dbraw/zinc/86/57/79/1290865779.db2.gz GNRQWRVOUZIIBK-CYBMUJFWSA-N 1 0 351.403 0.875 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001648250664 1291114999 /nfs/dbraw/zinc/11/49/99/1291114999.db2.gz WCCCIDZGPMPLKQ-LBPRGKRZSA-N 1 0 370.431 0.795 10 5 FCBERO CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001653351562 1291337744 /nfs/dbraw/zinc/33/77/44/1291337744.db2.gz OILMJVHRVKOPCH-UHFFFAOYSA-N 1 0 372.447 0.902 10 5 FCBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001653670071 1291362071 /nfs/dbraw/zinc/36/20/71/1291362071.db2.gz VHDLHVDOUGMUQS-KPXOXKRLSA-N 1 0 357.326 0.910 10 5 FCBERO COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC001654057283 1291390961 /nfs/dbraw/zinc/39/09/61/1291390961.db2.gz VRUIYYDOMIMQDN-GHMZBOCLSA-N 1 0 356.301 0.024 10 5 FCBERO C[C@]12C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]1(C)C(=O)NC2=O ZINC001654478828 1291412574 /nfs/dbraw/zinc/41/25/74/1291412574.db2.gz UGNDNDCGSSWZCZ-IAGOWNOFSA-N 1 0 360.370 0.908 10 5 FCBERO C[C@@]12C[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@]1(C)C(=O)NC2=O ZINC001654477646 1291412930 /nfs/dbraw/zinc/41/29/30/1291412930.db2.gz IEURNLRHOAFZGD-ROUUACIJSA-N 1 0 372.381 0.469 10 5 FCBERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CS(N)(=O)=O ZINC001654947396 1291447033 /nfs/dbraw/zinc/44/70/33/1291447033.db2.gz IKEZVVKBJNEYST-NEPJUHHUSA-N 1 0 370.431 0.780 10 5 FCBERO CCN(CCNCc1ncnn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668426058 1291963748 /nfs/dbraw/zinc/96/37/48/1291963748.db2.gz AALIKQCCCJOTRN-HUUCEWRRSA-N 1 0 358.402 0.871 10 5 FCBERO CCC[N@H+](C)CCC(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001679542739 1292306780 /nfs/dbraw/zinc/30/67/80/1292306780.db2.gz DWUVKUXQENAPRB-HUUCEWRRSA-N 1 0 354.451 0.833 10 5 FCBERO CC(C)N(C)C(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001276200798 861351670 /nfs/dbraw/zinc/35/16/70/861351670.db2.gz VYDJCKYAPBXLIU-ZIAGYGMSSA-N 1 0 354.451 0.927 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC001136645817 849232136 /nfs/dbraw/zinc/23/21/36/849232136.db2.gz XMKODZGTKLJPPG-UHFFFAOYSA-N 1 0 350.423 0.428 10 5 FCBERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001137732527 849280953 /nfs/dbraw/zinc/28/09/53/849280953.db2.gz IRDCQFYOSNQDTD-HNNXBMFYSA-N 1 0 357.432 0.722 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001149206584 849632319 /nfs/dbraw/zinc/63/23/19/849632319.db2.gz SSYSUWHXIJSZPM-UHFFFAOYSA-N 1 0 352.391 0.097 10 5 FCBERO CCN(CC[NH2+]CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268448880 859532905 /nfs/dbraw/zinc/53/29/05/859532905.db2.gz CVFXZPYJHZTMSQ-ZIAGYGMSSA-N 1 0 352.366 0.868 10 5 FCBERO Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)nn1C ZINC001273967924 860644717 /nfs/dbraw/zinc/64/47/17/860644717.db2.gz CBVKETMWTNMMKK-ZIAGYGMSSA-N 1 0 351.407 0.149 10 5 FCBERO Cc1csc(=O)n1CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001275668773 861150714 /nfs/dbraw/zinc/15/07/14/861150714.db2.gz UMYSXBNYAYKEFA-CHWSQXEVSA-N 1 0 370.475 0.958 10 5 FCBERO CCC1([NH2+]CC(=O)N(C)C2CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281004785 863462192 /nfs/dbraw/zinc/46/21/92/863462192.db2.gz WUKKTNIOUPGNQB-ZIAGYGMSSA-N 1 0 352.435 0.633 10 5 FCBERO CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[NH+]1CCC(C)CC1 ZINC001283718083 864514088 /nfs/dbraw/zinc/51/40/88/864514088.db2.gz KXIIUCNUDCOEQE-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO C[NH+](C)C1(C(=O)NCCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CCC1 ZINC001283792087 864519833 /nfs/dbraw/zinc/51/98/33/864519833.db2.gz JBCKFXDJDMODAP-ZIAGYGMSSA-N 1 0 352.435 0.633 10 5 FCBERO CC1(C)CC[N@H+](CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001286426639 864692202 /nfs/dbraw/zinc/69/22/02/864692202.db2.gz CEOZBEFHPFWMKQ-AAVRWANBSA-N 1 0 352.435 0.395 10 5 FCBERO CC[NH+](CC)C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001292965484 865764632 /nfs/dbraw/zinc/76/46/32/865764632.db2.gz BTBPKNUIMZUDGC-GFCCVEGCSA-N 1 0 372.447 0.720 10 5 FCBERO COC(=O)c1cc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC001293929415 865813554 /nfs/dbraw/zinc/81/35/54/865813554.db2.gz WMRROFYJSLTTEA-UHFFFAOYSA-N 1 0 350.375 0.813 10 5 FCBERO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001295418074 865896535 /nfs/dbraw/zinc/89/65/35/865896535.db2.gz NCJRBTCICCAZSF-CQSZACIVSA-N 1 0 359.404 0.041 10 5 FCBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001299663510 866189403 /nfs/dbraw/zinc/18/94/03/866189403.db2.gz ZLALQLUMCDGOIE-ZIAGYGMSSA-N 1 0 352.435 0.492 10 5 FCBERO CN(CCC[NH2+]CC(=O)N(C)c1nccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322504642 868837727 /nfs/dbraw/zinc/83/77/27/868837727.db2.gz BUKPRJYUEBZCFJ-GHMZBOCLSA-N 1 0 355.420 0.209 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1F ZINC001327932654 871145412 /nfs/dbraw/zinc/14/54/12/871145412.db2.gz MOCOUCKXYSNDIV-ZIAGYGMSSA-N 1 0 350.350 0.377 10 5 FCBERO CN(CC(C)(C)C[NH2+]CC(=O)Nc1ccon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329293020 871938650 /nfs/dbraw/zinc/93/86/50/871938650.db2.gz QTEJDHYYTKPVPG-GHMZBOCLSA-N 1 0 353.379 0.353 10 5 FCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CC=CC1 ZINC001330677561 872760954 /nfs/dbraw/zinc/76/09/54/872760954.db2.gz GZAJUHWXVQJDBD-UHFFFAOYSA-N 1 0 368.415 0.251 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000294278315 214235619 /nfs/dbraw/zinc/23/56/19/214235619.db2.gz RKSUHMIXFMLDSJ-CQSZACIVSA-N 1 0 359.386 0.477 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261609800 209455595 /nfs/dbraw/zinc/45/55/95/209455595.db2.gz DKXYCYBZOVDVPE-NWDGAFQWSA-N 1 0 354.432 0.891 10 5 FCBERO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415298332 245379410 /nfs/dbraw/zinc/37/94/10/245379410.db2.gz WNMRFJYTZUNQBK-MRVPVSSYSA-N 1 0 357.164 0.855 10 5 FCBERO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419344322 246106306 /nfs/dbraw/zinc/10/63/06/246106306.db2.gz RXBKDVHWMYOBBM-KGLIPLIRSA-N 1 0 350.419 0.945 10 5 FCBERO COc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419345551 246108614 /nfs/dbraw/zinc/10/86/14/246108614.db2.gz UAMWIOBVGCTYBW-OLZOCXBDSA-N 1 0 366.418 0.929 10 5 FCBERO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423306584 247001292 /nfs/dbraw/zinc/00/12/92/247001292.db2.gz LYKSKGYALLPNMQ-CJNGLKHVSA-N 1 0 358.398 0.690 10 5 FCBERO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1([NH+]2CCOCC2)CCCC1 ZINC000443111082 248307924 /nfs/dbraw/zinc/30/79/24/248307924.db2.gz OUXKQTKSUARASQ-LBPRGKRZSA-N 1 0 352.395 0.336 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000270587168 211228451 /nfs/dbraw/zinc/22/84/51/211228451.db2.gz DOFFSCRDACGWPW-SNVBAGLBSA-N 1 0 351.363 0.675 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529893 208132186 /nfs/dbraw/zinc/13/21/86/208132186.db2.gz REPYZEKNVAQRTH-INIZCTEOSA-N 1 0 363.462 0.858 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)c1ncc([N+](=O)[O-])cc1Br ZINC000093434260 208157238 /nfs/dbraw/zinc/15/72/38/208157238.db2.gz NOGCFPORTXDRCJ-UHFFFAOYSA-N 1 0 358.196 0.620 10 5 FCBERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000106099522 208211572 /nfs/dbraw/zinc/21/15/72/208211572.db2.gz QNBJELSTHRQZGR-ZIAGYGMSSA-N 1 0 350.419 0.945 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000109151261 208253471 /nfs/dbraw/zinc/25/34/71/208253471.db2.gz IBJMFJSFPWVTOO-UHFFFAOYSA-N 1 0 373.417 0.495 10 5 FCBERO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000177229756 209020635 /nfs/dbraw/zinc/02/06/35/209020635.db2.gz CWWHFLHVQGMVPZ-HFTRVMKXSA-N 1 0 365.430 0.987 10 5 FCBERO Cn1cc([C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301269528 488878538 /nfs/dbraw/zinc/87/85/38/488878538.db2.gz GMPHELAIMZLBPR-CQSZACIVSA-N 1 0 368.419 0.691 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000040713457 487815145 /nfs/dbraw/zinc/81/51/45/487815145.db2.gz UXWZTTNGXUQWNL-UHFFFAOYSA-N 1 0 358.196 0.620 10 5 FCBERO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH+]1CCOCC1 ZINC000052308766 488163809 /nfs/dbraw/zinc/16/38/09/488163809.db2.gz KKIQBYDKBBVXSC-UHFFFAOYSA-N 1 0 358.420 0.767 10 5 FCBERO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)c1 ZINC000078461721 488422203 /nfs/dbraw/zinc/42/22/03/488422203.db2.gz UXLMSCQVQLVTKK-KRWDZBQOSA-N 1 0 350.419 0.410 10 5 FCBERO C[N@@H+]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000111660889 488530962 /nfs/dbraw/zinc/53/09/62/488530962.db2.gz AGZXWFXLMDSGBL-GFCCVEGCSA-N 1 0 350.375 0.957 10 5 FCBERO COc1ccc(CSCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262057363 488548316 /nfs/dbraw/zinc/54/83/16/488548316.db2.gz AOYYOLAFKDMWNG-YPMHNXCESA-N 1 0 355.416 0.533 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000272422025 488579580 /nfs/dbraw/zinc/57/95/80/488579580.db2.gz HRHMDKMWIJBPLM-LSDHHAIUSA-N 1 0 373.413 0.941 10 5 FCBERO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262755118 488590334 /nfs/dbraw/zinc/59/03/34/488590334.db2.gz HQNFHTIVWABKNQ-UWVGGRQHSA-N 1 0 357.388 0.642 10 5 FCBERO CC(C)C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)NCC[NH+](C)C ZINC000129902557 488634511 /nfs/dbraw/zinc/63/45/11/488634511.db2.gz YBPDUBWOGWFSHB-NSHDSACASA-N 1 0 354.411 0.151 10 5 FCBERO 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C[N@@H+]1CCC[C@@H]1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000576478208 491618317 /nfs/dbraw/zinc/61/83/17/491618317.db2.gz SNAHRLBOUUGMRJ-OAHLLOKOSA-N 1 0 358.402 1.550 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H](O)C[NH+]1CCCCC1 ZINC000579952792 491710632 /nfs/dbraw/zinc/71/06/32/491710632.db2.gz PYTHAYYXZNOUOB-GJZGRUSLSA-N 1 0 353.419 0.771 10 5 FCBERO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000588662202 491745666 /nfs/dbraw/zinc/74/56/66/491745666.db2.gz OBTGNNZHLPZHFH-JTQLQIEISA-N 1 0 360.374 0.298 10 5 FCBERO NS(=O)(=O)c1ccc(NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000589108169 491755809 /nfs/dbraw/zinc/75/58/09/491755809.db2.gz PBNYZUHZNDHLGY-UHFFFAOYSA-N 1 0 358.420 0.767 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581532945 491776633 /nfs/dbraw/zinc/77/66/33/491776633.db2.gz UWLZSBFOYGTBHU-NWDGAFQWSA-N 1 0 360.370 0.388 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 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XFWAKRYSZTYSNX-LBPRGKRZSA-N 1 0 370.431 0.278 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 ZINC000596567370 491991219 /nfs/dbraw/zinc/99/12/19/491991219.db2.gz LYMAKQZHZWRCHA-CQSZACIVSA-N 1 0 372.447 0.789 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597575261 492048695 /nfs/dbraw/zinc/04/86/95/492048695.db2.gz WAQIBKXBYOKIDC-INIZCTEOSA-N 1 0 351.359 0.852 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000604437256 492061075 /nfs/dbraw/zinc/06/10/75/492061075.db2.gz RGOJVVIOLAPLPP-UHFFFAOYSA-N 1 0 364.402 0.886 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000597990304 492076615 /nfs/dbraw/zinc/07/66/15/492076615.db2.gz LDQKMPNPZDBWDF-CQSZACIVSA-N 1 0 359.386 0.825 10 5 FCBERO CN(CCC[NH+](C)C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597990405 492076996 /nfs/dbraw/zinc/07/69/96/492076996.db2.gz VAAUYZWFHJUMCT-UHFFFAOYSA-N 1 0 366.418 0.979 10 5 FCBERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598535579 492103637 /nfs/dbraw/zinc/10/36/37/492103637.db2.gz GYOIYJBQXUGLQC-CQSZACIVSA-N 1 0 351.407 0.893 10 5 FCBERO COC(=O)c1ccnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598633300 492110484 /nfs/dbraw/zinc/11/04/84/492110484.db2.gz GTOBEYVKTRUIKI-LBPRGKRZSA-N 1 0 350.375 0.812 10 5 FCBERO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087397 492134536 /nfs/dbraw/zinc/13/45/36/492134536.db2.gz AZANSXRSINZDFE-QWHCGFSZSA-N 1 0 367.406 0.934 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000599100710 492135111 /nfs/dbraw/zinc/13/51/11/492135111.db2.gz MJCQIUGKMAOOLV-GFCCVEGCSA-N 1 0 351.388 0.575 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000599110997 492136501 /nfs/dbraw/zinc/13/65/01/492136501.db2.gz VJKAIIGXYLVIGK-AWEZNQCLSA-N 1 0 370.431 0.769 10 5 FCBERO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H]1CC[NH2+]C13CCC3)OCCO2 ZINC000599108855 492136548 /nfs/dbraw/zinc/13/65/48/492136548.db2.gz YBJXIFGMMKCYNE-CQSZACIVSA-N 1 0 369.399 0.929 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000599248545 492148399 /nfs/dbraw/zinc/14/83/99/492148399.db2.gz NYEQYUGXUIWUAT-GFCCVEGCSA-N 1 0 357.436 0.825 10 5 FCBERO COC(=O)c1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000618924072 492243374 /nfs/dbraw/zinc/24/33/74/492243374.db2.gz PUXNRDXJZFVFJP-KRWDZBQOSA-N 1 0 365.386 0.910 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000611334875 492285956 /nfs/dbraw/zinc/28/59/56/492285956.db2.gz YYVLSHHBJSZOHK-UHFFFAOYSA-N 1 0 360.374 0.872 10 5 FCBERO COc1ccc(NC(=O)CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419345552 536770171 /nfs/dbraw/zinc/77/01/71/536770171.db2.gz UAMWIOBVGCTYBW-QWHCGFSZSA-N 1 0 366.418 0.929 10 5 FCBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592185877 546945451 /nfs/dbraw/zinc/94/54/51/546945451.db2.gz RPLQECNZBDVQKJ-ZDUSSCGKSA-N 1 0 362.308 0.757 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])n1 ZINC000592374467 546948047 /nfs/dbraw/zinc/94/80/47/546948047.db2.gz IXOSEFHBQYCUDT-NEPJUHHUSA-N 1 0 357.436 0.964 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])n1 ZINC000592374470 546948204 /nfs/dbraw/zinc/94/82/04/546948204.db2.gz IXOSEFHBQYCUDT-VXGBXAGGSA-N 1 0 357.436 0.964 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592875452 546958518 /nfs/dbraw/zinc/95/85/18/546958518.db2.gz YVNFPMMNUKDYET-NSHDSACASA-N 1 0 350.375 0.795 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592898585 546960008 /nfs/dbraw/zinc/96/00/08/546960008.db2.gz INMZOJMNJDIFIL-UHFFFAOYSA-N 1 0 351.407 0.813 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000592878532 546960282 /nfs/dbraw/zinc/96/02/82/546960282.db2.gz FJUBIKJETQFDHF-LBPRGKRZSA-N 1 0 350.375 0.552 10 5 FCBERO COc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593234068 546964370 /nfs/dbraw/zinc/96/43/70/546964370.db2.gz CVXSNBZDJLFKLU-UHFFFAOYSA-N 1 0 350.375 0.449 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)nc1 ZINC000593571394 546978185 /nfs/dbraw/zinc/97/81/85/546978185.db2.gz HMXDSQOUBMEGFH-QWHCGFSZSA-N 1 0 356.404 0.210 10 5 FCBERO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593578611 546979150 /nfs/dbraw/zinc/97/91/50/546979150.db2.gz OBKPYPRGENYWFE-GFCCVEGCSA-N 1 0 357.436 0.294 10 5 FCBERO CCO[C@@H]1CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593736771 546990899 /nfs/dbraw/zinc/99/08/99/546990899.db2.gz HWYLSSNLJOZKJG-IAQYHMDHSA-N 1 0 352.391 0.838 10 5 FCBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594316259 546997520 /nfs/dbraw/zinc/99/75/20/546997520.db2.gz SVMFGITYWMMTPF-WDEREUQCSA-N 1 0 368.777 0.464 10 5 FCBERO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594759980 547005970 /nfs/dbraw/zinc/00/59/70/547005970.db2.gz QAARVIAUHHENEV-UHFFFAOYSA-N 1 0 358.420 0.457 10 5 FCBERO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594769923 547007947 /nfs/dbraw/zinc/00/79/47/547007947.db2.gz CLYXFKINFYJOFX-GFCCVEGCSA-N 1 0 357.436 0.294 10 5 FCBERO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287014 664251794 /nfs/dbraw/zinc/25/17/94/664251794.db2.gz SJIMIRDVRQIWQK-UHFFFAOYSA-N 1 0 350.419 0.943 10 5 FCBERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262595643 665184394 /nfs/dbraw/zinc/18/43/94/665184394.db2.gz UOEONTLRWDFHDI-RISCZKNCSA-N 1 0 370.431 0.507 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000941011901 666573499 /nfs/dbraw/zinc/57/34/99/666573499.db2.gz QXOXMLMUMYKOMT-ZIAGYGMSSA-N 1 0 350.419 0.341 10 5 FCBERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000775809328 668231886 /nfs/dbraw/zinc/23/18/86/668231886.db2.gz DHIHKZZLMMHICX-SGMGOOAPSA-N 1 0 355.395 0.609 10 5 FCBERO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000847038584 671168029 /nfs/dbraw/zinc/16/80/29/671168029.db2.gz BOPQOLHZONGYKX-NWDGAFQWSA-N 1 0 354.794 0.938 10 5 FCBERO Cc1c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000848308013 671266968 /nfs/dbraw/zinc/26/69/68/671266968.db2.gz WSRCBNBQVNVEKP-NWDGAFQWSA-N 1 0 350.331 0.702 10 5 FCBERO O=C1O[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677402 671289499 /nfs/dbraw/zinc/28/94/99/671289499.db2.gz DBYQVQXNGIPDRJ-UKRRQHHQSA-N 1 0 351.359 0.907 10 5 FCBERO COc1cc(CCNC(=O)C2=NO[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000852807610 671526282 /nfs/dbraw/zinc/52/62/82/671526282.db2.gz WKKIWEDJZPDNLC-JTQLQIEISA-N 1 0 352.347 0.374 10 5 FCBERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860195087 671875015 /nfs/dbraw/zinc/87/50/15/671875015.db2.gz NKNHYOAZHPWHHA-IUODEOHRSA-N 1 0 357.432 0.889 10 5 FCBERO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032814 672593525 /nfs/dbraw/zinc/59/35/25/672593525.db2.gz ZPGZHSCQBYVENT-LBPRGKRZSA-N 1 0 374.438 0.962 10 5 FCBERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001625875659 1171788859 /nfs/dbraw/zinc/78/88/59/1171788859.db2.gz HUXHBHPBASHWJE-NEPJUHHUSA-N 1 0 357.374 0.927 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000909546189 1190361899 /nfs/dbraw/zinc/36/18/99/1190361899.db2.gz UXMYQQBEEJGAOF-UHFFFAOYSA-N 1 0 362.434 0.132 10 5 FCBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052071 1196606204 /nfs/dbraw/zinc/60/62/04/1196606204.db2.gz MQTDTYXYGWHULU-CYBMUJFWSA-N 1 0 363.418 0.628 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1=O ZINC000593231877 1196764075 /nfs/dbraw/zinc/76/40/75/1196764075.db2.gz BJRHTWQLLOBAEK-UHFFFAOYSA-N 1 0 363.418 0.629 10 5 FCBERO COc1cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])cc1OC ZINC000593655374 1196811523 /nfs/dbraw/zinc/81/15/23/1196811523.db2.gz IFJWJEIIRRKLKQ-UHFFFAOYSA-N 1 0 366.418 0.818 10 5 FCBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594315342 1196884760 /nfs/dbraw/zinc/88/47/60/1196884760.db2.gz DAIHQOQZQHNQOE-QWHCGFSZSA-N 1 0 362.386 0.428 10 5 FCBERO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809653 1199094745 /nfs/dbraw/zinc/09/47/45/1199094745.db2.gz BMMCGSACTYKNLO-CABCVRRESA-N 1 0 362.430 0.946 10 5 FCBERO C[NH+]1CCC(n2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cn2)CC1 ZINC001132169912 1202941862 /nfs/dbraw/zinc/94/18/62/1202941862.db2.gz BFSHSVKVZYFBLL-UHFFFAOYSA-N 1 0 360.374 0.858 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000844041368 1203331227 /nfs/dbraw/zinc/33/12/27/1203331227.db2.gz QXERKJSSWLBNQP-GFCCVEGCSA-N 1 0 363.418 0.853 10 5 FCBERO C[NH+](C)CCN1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1=O ZINC000844713456 1204429161 /nfs/dbraw/zinc/42/91/61/1204429161.db2.gz CIFMPJPISQTNHP-UHFFFAOYSA-N 1 0 363.374 0.166 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000844761384 1204434670 /nfs/dbraw/zinc/43/46/70/1204434670.db2.gz JRMJRSFSANADBV-UHFFFAOYSA-N 1 0 374.401 0.177 10 5 FCBERO COC(=O)[C@]1(O)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175669982 1206306815 /nfs/dbraw/zinc/30/68/15/1206306815.db2.gz XNZPHQDMMXRUIB-INIZCTEOSA-N 1 0 367.358 0.542 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001196833016 1208109148 /nfs/dbraw/zinc/10/91/48/1208109148.db2.gz PEHFDBWWLMYFQL-IRXDYDNUSA-N 1 0 360.370 0.826 10 5 FCBERO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198146722 1208224061 /nfs/dbraw/zinc/22/40/61/1208224061.db2.gz GOTMNWPXJIZAQC-DOMZBBRYSA-N 1 0 365.386 0.219 10 5 FCBERO O=C(NC[C@H]1C[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001488826301 1208551371 /nfs/dbraw/zinc/55/13/71/1208551371.db2.gz NBMCUQXLHODPGM-GWOFURMSSA-N 1 0 366.340 0.205 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000852918744 1209577399 /nfs/dbraw/zinc/57/73/99/1209577399.db2.gz GTGBURKKQODPTD-UHFFFAOYSA-N 1 0 363.418 0.897 10 5 FCBERO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863571304 1209944943 /nfs/dbraw/zinc/94/49/43/1209944943.db2.gz VINAHHXNXVYRIG-SJLPKXTDSA-N 1 0 365.430 0.834 10 5 FCBERO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863569870 1209945278 /nfs/dbraw/zinc/94/52/78/1209945278.db2.gz BCJJXWHWEWEDON-WMZOPIPTSA-N 1 0 365.430 0.834 10 5 FCBERO CN(CC1CC1)C(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001276199877 1211380066 /nfs/dbraw/zinc/38/00/66/1211380066.db2.gz HEYFLMXDNVJRBI-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO CC(C)n1nccc1NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277055782 1225815732 /nfs/dbraw/zinc/81/57/32/1225815732.db2.gz UUKXIRMVYKPNQL-VXGBXAGGSA-N 1 0 364.406 0.306 10 5 FCBERO C[N@H+](CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC1CC1 ZINC001277413342 1226030586 /nfs/dbraw/zinc/03/05/86/1226030586.db2.gz PLABBMZSBDIWEO-HZPDHXFCSA-N 1 0 366.462 0.881 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001118327866 1221760419 /nfs/dbraw/zinc/76/04/19/1221760419.db2.gz KDQLSZSJLOAHDJ-DRQUAOQDSA-N 1 0 360.414 0.936 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC001137770047 1222430685 /nfs/dbraw/zinc/43/06/85/1222430685.db2.gz WMFGISDCKRNJLI-UHFFFAOYSA-N 1 0 367.406 0.111 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001138163540 1222487162 /nfs/dbraw/zinc/48/71/62/1222487162.db2.gz OERRYLUMUKNYAO-MRXNPFEDSA-N 1 0 373.413 0.983 10 5 FCBERO CCN(C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+](C)C1 ZINC001330878371 1266110137 /nfs/dbraw/zinc/11/01/37/1266110137.db2.gz UAPRZHRLTPRZCE-AWEZNQCLSA-N 1 0 364.402 0.772 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001473490775 1261491034 /nfs/dbraw/zinc/49/10/34/1261491034.db2.gz LACXFODMFTXPDO-INTQDDNPSA-N 1 0 362.342 0.135 10 5 FCBERO COC(=O)CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001473582909 1261492437 /nfs/dbraw/zinc/49/24/37/1261492437.db2.gz VCIBUKNGIAOQJJ-UHFFFAOYSA-N 1 0 359.404 0.758 10 5 FCBERO O=C(CNC(=O)COc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001297880134 1262900117 /nfs/dbraw/zinc/90/01/17/1262900117.db2.gz JDWOESSMOPGQDD-UHFFFAOYSA-N 1 0 364.402 0.692 10 5 FCBERO O=C(NCC[NH+]1CCC(O)CC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298019518 1262907315 /nfs/dbraw/zinc/90/73/15/1262907315.db2.gz GDJMHRVGFWADRO-UHFFFAOYSA-N 1 0 360.374 0.362 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001480203076 1263426489 /nfs/dbraw/zinc/42/64/89/1263426489.db2.gz FBKMTGMITFHKJV-XJFOESAGSA-N 1 0 350.350 0.666 10 5 FCBERO Cc1cccc(CNC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001317076110 1263500102 /nfs/dbraw/zinc/50/01/02/1263500102.db2.gz LVDMQNXDXOFUHZ-KLHDSHLOSA-N 1 0 360.414 0.513 10 5 FCBERO C[NH+]1CCN(Cc2cccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC001318248349 1263555417 /nfs/dbraw/zinc/55/54/17/1263555417.db2.gz OXEAQRMUNFTPGD-UHFFFAOYSA-N 1 0 373.417 0.250 10 5 FCBERO Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)on1 ZINC001319350801 1263682944 /nfs/dbraw/zinc/68/29/44/1263682944.db2.gz AMYQQAQJMSLHDS-VXGBXAGGSA-N 1 0 365.390 0.605 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1cccc2cccnc21 ZINC001501458080 1264123507 /nfs/dbraw/zinc/12/35/07/1264123507.db2.gz OHZHLRXTYRWTPU-HZPDHXFCSA-N 1 0 358.398 0.811 10 5 FCBERO COc1ncccc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001502623598 1264178467 /nfs/dbraw/zinc/17/84/67/1264178467.db2.gz JACHWGNMRISLBV-ZIAGYGMSSA-N 1 0 364.402 0.510 10 5 FCBERO Cc1cc(C)n(CC[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n1 ZINC001502623820 1264178715 /nfs/dbraw/zinc/17/87/15/1264178715.db2.gz QJMOJFFDLHMJCQ-HUUCEWRRSA-N 1 0 365.434 0.420 10 5 FCBERO COc1ccccc1NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323437545 1264429559 /nfs/dbraw/zinc/42/95/59/1264429559.db2.gz JHHRWBJMWQGVMB-DGCLKSJQSA-N 1 0 362.386 0.537 10 5 FCBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001323615047 1264468897 /nfs/dbraw/zinc/46/88/97/1264468897.db2.gz CWFGUQMWXNIYIU-TZMCWYRMSA-N 1 0 366.422 0.096 10 5 FCBERO Cn1ccc(C[NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC001324864547 1264719150 /nfs/dbraw/zinc/71/91/50/1264719150.db2.gz NQRPQXLRLBUKBR-HUUCEWRRSA-N 1 0 362.430 0.769 10 5 FCBERO CN(Cc1ccco1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001326821311 1265175426 /nfs/dbraw/zinc/17/54/26/1265175426.db2.gz CMASZYCMWWVOJM-ZIAGYGMSSA-N 1 0 364.402 0.532 10 5 FCBERO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001332697906 1266464117 /nfs/dbraw/zinc/46/41/17/1266464117.db2.gz GUSYOMDJMGAVFK-KDOFPFPSSA-N 1 0 360.414 0.664 10 5 FCBERO CC[N@H+](C)C(C)(C)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001531582578 1267140848 /nfs/dbraw/zinc/14/08/48/1267140848.db2.gz RXLKJVGLZPOQNM-CHWSQXEVSA-N 1 0 354.451 0.927 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@]2(COC)C[NH+](C)C)n1 ZINC001533307780 1267213387 /nfs/dbraw/zinc/21/33/87/1267213387.db2.gz FULMRKBBJWYBDS-OAHLLOKOSA-N 1 0 355.395 0.230 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001534526541 1267265553 /nfs/dbraw/zinc/26/55/53/1267265553.db2.gz FYMWACPZTGZLRC-UHFFFAOYSA-N 1 0 366.422 0.208 10 5 FCBERO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001536360083 1267323403 /nfs/dbraw/zinc/32/34/03/1267323403.db2.gz OCGOTYSJOCXCKW-HUUCEWRRSA-N 1 0 352.435 0.587 10 5 FCBERO CC[NH+](CC)CC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001537129733 1267356768 /nfs/dbraw/zinc/35/67/68/1267356768.db2.gz FFAXVLKKUNWKIS-ZIAGYGMSSA-N 1 0 354.451 0.738 10 5 FCBERO C[NH+](C)CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccnc1 ZINC001538333918 1267401785 /nfs/dbraw/zinc/40/17/85/1267401785.db2.gz BWPFXOHZIUTGDT-OAHLLOKOSA-N 1 0 359.386 0.961 10 5 FCBERO O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CCC([NH+]2CCC2)CC1 ZINC001557588912 1268955484 /nfs/dbraw/zinc/95/54/84/1268955484.db2.gz WTFPAEHGMHJAMV-UHFFFAOYSA-N 1 0 357.374 0.881 10 5 FCBERO Cc1cc(C(=O)NCC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001558549995 1269109025 /nfs/dbraw/zinc/10/90/25/1269109025.db2.gz WVOYHIHPERQXLC-CYBMUJFWSA-N 1 0 362.386 0.222 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001560060279 1269184314 /nfs/dbraw/zinc/18/43/14/1269184314.db2.gz JFFQNDNZQSVJFO-IRXDYDNUSA-N 1 0 360.370 0.826 10 5 FCBERO CCC[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001571906651 1269979757 /nfs/dbraw/zinc/97/97/57/1269979757.db2.gz BSWXCYWXMJVRRI-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21 ZINC001579159756 1276907148 /nfs/dbraw/zinc/90/71/48/1276907148.db2.gz DNNFXBDDNYNRPK-SSZWKKLZSA-N 1 0 350.419 0.101 10 5 FCBERO CC(C)n1nccc1NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591537 1287287185 /nfs/dbraw/zinc/28/71/85/1287287185.db2.gz PNPRQWDBBUXXRA-VXGBXAGGSA-N 1 0 352.395 0.116 10 5 FCBERO C[N@@H+](CC(=O)NCC1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713764373 1287296454 /nfs/dbraw/zinc/29/64/54/1287296454.db2.gz ZXXUJRYGOLKFSX-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO CNC(=O)c1cccc(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c1 ZINC001714667729 1287329180 /nfs/dbraw/zinc/32/91/80/1287329180.db2.gz XNJKVFDELZRRJA-HZPDHXFCSA-N 1 0 360.414 0.792 10 5 FCBERO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CCn1cncn1 ZINC001715469890 1287352820 /nfs/dbraw/zinc/35/28/20/1287352820.db2.gz KLHQGURLZPYWLJ-HUUCEWRRSA-N 1 0 350.423 0.504 10 5 FCBERO Cn1c(=O)oc2ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC001715817096 1287361185 /nfs/dbraw/zinc/36/11/85/1287361185.db2.gz QECQGPYQFZUJIQ-LLGAQUFESA-N 1 0 360.370 0.559 10 5 FCBERO CS(=O)(=O)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001715812706 1287361416 /nfs/dbraw/zinc/36/14/16/1287361416.db2.gz IKVKEJDROUMUSF-OKYAQOQYSA-N 1 0 367.427 0.517 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccccc1F ZINC001716681347 1287385824 /nfs/dbraw/zinc/38/58/24/1287385824.db2.gz MGTSMLYODKPJFG-ZWNOBZJWSA-N 1 0 350.350 0.668 10 5 FCBERO Cc1ccc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC001717319120 1287418240 /nfs/dbraw/zinc/41/82/40/1287418240.db2.gz WDKKGMUFNDRNKV-HZPDHXFCSA-N 1 0 362.430 0.807 10 5 FCBERO C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001634827696 1282358077 /nfs/dbraw/zinc/35/80/77/1282358077.db2.gz IUMQNNUONZEPMJ-NWDGAFQWSA-N 1 0 370.431 0.472 10 5 FCBERO Cc1c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001636278570 1282478244 /nfs/dbraw/zinc/47/82/44/1282478244.db2.gz MXWIEYIVQBRWCU-OAHLLOKOSA-N 1 0 352.347 0.950 10 5 FCBERO O=C(NC/C=C/CNC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001705036236 1286338389 /nfs/dbraw/zinc/33/83/89/1286338389.db2.gz UWYFIFWWTJBDQL-PKUCDIRRSA-N 1 0 364.446 0.562 10 5 FCBERO O=C(NCC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC001597700383 1286356701 /nfs/dbraw/zinc/35/67/01/1286356701.db2.gz JDZBAGLRIDFJHA-GFCCVEGCSA-N 1 0 363.374 0.306 10 5 FCBERO CS(=O)(=O)c1cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001597700890 1286356947 /nfs/dbraw/zinc/35/69/47/1286356947.db2.gz LQHMZBJGDVKEBX-LLVKDONJSA-N 1 0 369.399 0.201 10 5 FCBERO O=C(NCCC1CC[NH+](CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732321320 1288580979 /nfs/dbraw/zinc/58/09/79/1288580979.db2.gz HQPCNOAFRYNPOK-HUUCEWRRSA-N 1 0 352.435 0.492 10 5 FCBERO Cc1ncsc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001733466624 1288611501 /nfs/dbraw/zinc/61/15/01/1288611501.db2.gz GZTWGADSJSOQPP-VXGBXAGGSA-N 1 0 354.432 0.872 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001735577642 1288757492 /nfs/dbraw/zinc/75/74/92/1288757492.db2.gz UPLLOHMLYLUOOT-HUUCEWRRSA-N 1 0 364.446 0.589 10 5 FCBERO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001737133293 1289512321 /nfs/dbraw/zinc/51/23/21/1289512321.db2.gz WKEYMCHWTJANBL-ZIAGYGMSSA-N 1 0 354.451 0.881 10 5 FCBERO CN1CC[NH+](CCC(C)(C)NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001616657904 1289785533 /nfs/dbraw/zinc/78/55/33/1289785533.db2.gz GOMYURXZBXUIDV-UHFFFAOYSA-N 1 0 350.423 0.718 10 5 FCBERO C[C@@H](CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001617120187 1289815007 /nfs/dbraw/zinc/81/50/07/1289815007.db2.gz LLXSFWICTMEPDA-LBPRGKRZSA-N 1 0 372.447 0.577 10 5 FCBERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001627802148 1290487153 /nfs/dbraw/zinc/48/71/53/1290487153.db2.gz HGTRCQMWHXHILU-ZDUSSCGKSA-N 1 0 359.390 0.151 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001643209012 1290860886 /nfs/dbraw/zinc/86/08/86/1290860886.db2.gz UXYZBQGQCLVBCB-DOTOQJQBSA-N 1 0 362.386 0.613 10 5 FCBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001644116277 1290940682 /nfs/dbraw/zinc/94/06/82/1290940682.db2.gz KRSBHUPGMPFJQA-PZDALLCQSA-N 1 0 360.370 0.906 10 5 FCBERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001644256678 1290949604 /nfs/dbraw/zinc/94/96/04/1290949604.db2.gz ARLYKZJYXDEGIL-NSHDSACASA-N 1 0 358.420 0.558 10 5 FCBERO CN(C[C@@H](O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC001648043775 1291098927 /nfs/dbraw/zinc/09/89/27/1291098927.db2.gz USZKCMYSSAMYMZ-ZDUSSCGKSA-N 1 0 357.411 0.951 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001651989329 1291254551 /nfs/dbraw/zinc/25/45/51/1291254551.db2.gz METHKRNPLCYEKH-CYBMUJFWSA-N 1 0 363.461 0.953 10 5 FCBERO C[C@](CO)(Cc1ccccc1F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654936557 1291446058 /nfs/dbraw/zinc/44/60/58/1291446058.db2.gz WADVUURURHGSBR-GOEBONIOSA-N 1 0 352.366 0.875 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1CO ZINC001655118579 1291456699 /nfs/dbraw/zinc/45/66/99/1291456699.db2.gz OBCXNXZYFITOMR-CYBMUJFWSA-N 1 0 352.391 0.540 10 5 FCBERO CCN(CCNCc1nnc(C2CCC2)n1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668426086 1291963580 /nfs/dbraw/zinc/96/35/80/1291963580.db2.gz BNWIVWQQRFECPD-CHWSQXEVSA-N 1 0 350.423 0.686 10 5 FCBERO C[NH+](C)CC1(C(=O)N2CC3(C2)CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)CC1 ZINC001679009557 1292289324 /nfs/dbraw/zinc/28/93/24/1292289324.db2.gz HSDHBCINIFXQKG-ZIAGYGMSSA-N 1 0 364.446 0.444 10 5 FCBERO CC[NH+]1CCC(CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001136380082 849219596 /nfs/dbraw/zinc/21/95/96/849219596.db2.gz YRJBXUHLXYKFPN-UHFFFAOYSA-N 1 0 370.431 0.704 10 5 FCBERO CC[NH+]1CCN(C2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC001164212557 850398402 /nfs/dbraw/zinc/39/84/02/850398402.db2.gz UJGGQWADVVPOKU-UHFFFAOYSA-N 1 0 369.447 0.068 10 5 FCBERO CC[NH+]1CCN(CC(C)(C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001186731585 851461739 /nfs/dbraw/zinc/46/17/39/851461739.db2.gz TUXDFUJTGLQRKC-UHFFFAOYSA-N 1 0 350.423 0.917 10 5 FCBERO COCC(COC)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001195113312 852710034 /nfs/dbraw/zinc/71/00/34/852710034.db2.gz OCLAXQHIAWNKFW-UHFFFAOYSA-N 1 0 354.407 0.036 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC001196284405 852930859 /nfs/dbraw/zinc/93/08/59/852930859.db2.gz BLPWXHGOBOGPBS-LRDDRELGSA-N 1 0 353.375 0.750 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC001197431006 853113706 /nfs/dbraw/zinc/11/37/06/853113706.db2.gz AELVBKVKBZWQGU-HOCLYGCPSA-N 1 0 353.423 0.385 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001198326318 853249499 /nfs/dbraw/zinc/24/94/99/853249499.db2.gz CIPPZSNSXVMQKO-GFCCVEGCSA-N 1 0 370.431 0.842 10 5 FCBERO CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001235837360 857432274 /nfs/dbraw/zinc/43/22/74/857432274.db2.gz SHKKGPIMEBGWDD-RBSFLKMASA-N 1 0 352.391 0.383 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC(C1CC1)C1CC1 ZINC001266591188 859485155 /nfs/dbraw/zinc/48/51/55/859485155.db2.gz BPDJDCVAEZICKM-AAVRWANBSA-N 1 0 350.419 0.193 10 5 FCBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1nnn(C(C)(C)C)n1 ZINC001267240856 859500952 /nfs/dbraw/zinc/50/09/52/859500952.db2.gz AZXQZDMPJQQJIQ-VXGBXAGGSA-N 1 0 353.427 0.074 10 5 FCBERO CN(CCC[N@H+](C)CC1CCS(=O)(=O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507753 860512784 /nfs/dbraw/zinc/51/27/84/860512784.db2.gz LXMNZGOPSWZVML-ZIAGYGMSSA-N 1 0 361.464 0.257 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001292338709 865735608 /nfs/dbraw/zinc/73/56/08/865735608.db2.gz XHCVDRXOJFMJMJ-LBPRGKRZSA-N 1 0 368.415 0.553 10 5 FCBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001292800060 865751647 /nfs/dbraw/zinc/75/16/47/865751647.db2.gz SZLOZKOYYLSZJN-NSHDSACASA-N 1 0 356.404 0.408 10 5 FCBERO CC(C)CN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 ZINC001317076312 867519454 /nfs/dbraw/zinc/51/94/54/867519454.db2.gz PIVPTGXPDPPJRH-QHSBEEBCSA-N 1 0 352.435 0.535 10 5 FCBERO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001328352751 871380415 /nfs/dbraw/zinc/38/04/15/871380415.db2.gz YHKNFDDYYWICLU-CQSZACIVSA-N 1 0 352.391 0.579 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001347817106 872502011 /nfs/dbraw/zinc/50/20/11/872502011.db2.gz KQEIMNVGUBZPEC-UHFFFAOYSA-N 1 0 352.395 0.194 10 5 FCBERO COc1ccc(CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC001330521754 872683867 /nfs/dbraw/zinc/68/38/67/872683867.db2.gz ZQUYGSYWJGMNHL-GFCCVEGCSA-N 1 0 352.391 0.709 10 5 FCBERO CN(C)S(=O)(=O)n1ccnc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000291662880 214050151 /nfs/dbraw/zinc/05/01/51/214050151.db2.gz VNBXTJSINSKNLF-UHFFFAOYSA-N 1 0 368.419 0.411 10 5 FCBERO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000262611065 209624118 /nfs/dbraw/zinc/62/41/18/209624118.db2.gz CXQPMCDQUHUDNA-GHMZBOCLSA-N 1 0 370.431 0.654 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245434632 209368226 /nfs/dbraw/zinc/36/82/26/209368226.db2.gz CLMVVPQVROVQOE-MXAVVETBSA-N 1 0 352.391 0.958 10 5 FCBERO Cc1ccc(N2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000246212619 209382161 /nfs/dbraw/zinc/38/21/61/209382161.db2.gz PJQPNOKBXVBLGK-OAHLLOKOSA-N 1 0 361.406 0.463 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368816307 216299354 /nfs/dbraw/zinc/29/93/54/216299354.db2.gz JVRFGVNWAHGAPV-AWEZNQCLSA-N 1 0 364.402 0.948 10 5 FCBERO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC1(CO)CC1 ZINC000186812546 209199114 /nfs/dbraw/zinc/19/91/14/209199114.db2.gz WLLBCYVQUPZTIO-UHFFFAOYSA-N 1 0 362.430 0.948 10 5 FCBERO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000184530867 209163961 /nfs/dbraw/zinc/16/39/61/209163961.db2.gz NVJFEXHEBZPACT-CQSZACIVSA-N 1 0 357.432 0.861 10 5 FCBERO Cc1c(F)cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184504658 209163336 /nfs/dbraw/zinc/16/33/36/209163336.db2.gz UZSQRPZLDUPXHR-NSHDSACASA-N 1 0 374.438 0.957 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181924106 209124751 /nfs/dbraw/zinc/12/47/51/209124751.db2.gz QLAMDJZMXMJABZ-GJZGRUSLSA-N 1 0 353.419 0.723 10 5 FCBERO Cn1cc([C@H]2CNCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000181690948 209120638 /nfs/dbraw/zinc/12/06/38/209120638.db2.gz OTDIYLJIDDUIGG-CYBMUJFWSA-N 1 0 369.378 0.803 10 5 FCBERO Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424397351 247207060 /nfs/dbraw/zinc/20/70/60/247207060.db2.gz ZLXBMBFTFDTSDH-LSDHHAIUSA-N 1 0 365.415 0.585 10 5 FCBERO CC[NH+](CC)CC[C@H](CO)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000439134652 248111387 /nfs/dbraw/zinc/11/13/87/248111387.db2.gz OTLXADIRJSFSJR-LLVKDONJSA-N 1 0 360.436 0.747 10 5 FCBERO CC[NH+](CC)CC[C@@H](CO)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000439134653 248111666 /nfs/dbraw/zinc/11/16/66/248111666.db2.gz OTLXADIRJSFSJR-NSHDSACASA-N 1 0 360.436 0.747 10 5 FCBERO Cc1c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000453819897 249374138 /nfs/dbraw/zinc/37/41/38/249374138.db2.gz NUYJWXURMQUTKL-ZDUSSCGKSA-N 1 0 364.402 0.805 10 5 FCBERO CC[NH+]1CCN(c2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC000471626474 250108777 /nfs/dbraw/zinc/10/87/77/250108777.db2.gz GMPJXEXGEZAZAS-UHFFFAOYSA-N 1 0 359.390 0.967 10 5 FCBERO CC1CC[NH+](CC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092518697 208144961 /nfs/dbraw/zinc/14/49/61/208144961.db2.gz MXNHOQDSPUNXKY-RDJZCZTQSA-N 1 0 351.403 0.837 10 5 FCBERO CC1CC[NH+](CC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092518696 208146146 /nfs/dbraw/zinc/14/61/46/208146146.db2.gz MXNHOQDSPUNXKY-NVXWUHKLSA-N 1 0 351.403 0.837 10 5 FCBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)nc1 ZINC000246486934 488473688 /nfs/dbraw/zinc/47/36/88/488473688.db2.gz GWWJKMRMOXSRKH-HIFRSBDPSA-N 1 0 351.407 0.169 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246931779 488478170 /nfs/dbraw/zinc/47/81/70/488478170.db2.gz AUHOQGRBSOOVKO-IJEWVQPXSA-N 1 0 353.419 0.721 10 5 FCBERO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000115275131 488543717 /nfs/dbraw/zinc/54/37/17/488543717.db2.gz ISOSCYMAEQVFJF-CHWSQXEVSA-N 1 0 354.411 0.440 10 5 FCBERO Cc1nn(Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2)c(C)c1[N+](=O)[O-] ZINC000262069911 488549278 /nfs/dbraw/zinc/54/92/78/488549278.db2.gz BMSRXLFKYRIJLS-JKSUJKDBSA-N 1 0 373.413 0.767 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000128130696 488622926 /nfs/dbraw/zinc/62/29/26/488622926.db2.gz WXMDUBYIMKFUCA-ZDUSSCGKSA-N 1 0 368.438 0.308 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273485800 488654145 /nfs/dbraw/zinc/65/41/45/488654145.db2.gz NUSSBDFCSZIEHW-NSHDSACASA-N 1 0 358.420 0.135 10 5 FCBERO CNS(=O)(=O)c1ccc(N2CCC[N@H+](CCOC)CC2)c([N+](=O)[O-])c1 ZINC000267501359 488791791 /nfs/dbraw/zinc/79/17/91/488791791.db2.gz LAAFQQMOWGEJRR-UHFFFAOYSA-N 1 0 372.447 0.661 10 5 FCBERO CCOCC[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1CC ZINC000162078501 488800696 /nfs/dbraw/zinc/80/06/96/488800696.db2.gz BQUFYBQALTVKEM-CQSZACIVSA-N 1 0 368.438 0.934 10 5 FCBERO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000563158390 491223277 /nfs/dbraw/zinc/22/32/77/491223277.db2.gz MHAXYOROQNUBHV-GFCCVEGCSA-N 1 0 368.415 0.226 10 5 FCBERO C[NH+](C)Cc1ccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000172223813 488831355 /nfs/dbraw/zinc/83/13/55/488831355.db2.gz WOTRQBUHOQJHNF-UHFFFAOYSA-N 1 0 373.417 0.597 10 5 FCBERO Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000268091201 488839089 /nfs/dbraw/zinc/83/90/89/488839089.db2.gz GFXXBALZNDGVRE-LLVKDONJSA-N 1 0 370.431 0.717 10 5 FCBERO CC[C@@H](O)CN1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173106116 488841081 /nfs/dbraw/zinc/84/10/81/488841081.db2.gz FLKPVPOPDZZPLM-CQSZACIVSA-N 1 0 350.419 0.946 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173938234 488846539 /nfs/dbraw/zinc/84/65/39/488846539.db2.gz FHXZEYIVTWCGEK-HOTGVXAUSA-N 1 0 351.403 0.741 10 5 FCBERO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174637360 488850422 /nfs/dbraw/zinc/85/04/22/488850422.db2.gz WVRCKWZCTRZADK-OCCSQVGLSA-N 1 0 353.423 0.793 10 5 FCBERO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000174770672 488851146 /nfs/dbraw/zinc/85/11/46/488851146.db2.gz ADERKISSPOVMFV-OCCSQVGLSA-N 1 0 350.379 0.798 10 5 FCBERO CN(c1cccnn1)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174781289 488851271 /nfs/dbraw/zinc/85/12/71/488851271.db2.gz XCDBVYWCTIFLQJ-HNNXBMFYSA-N 1 0 361.406 0.543 10 5 FCBERO COC(=O)CC1([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000563221144 491228308 /nfs/dbraw/zinc/22/83/08/491228308.db2.gz ZLSJETJKVWQZED-UHFFFAOYSA-N 1 0 351.315 0.947 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290619981 489153198 /nfs/dbraw/zinc/15/31/98/489153198.db2.gz LIHVQPIPXNSYCC-ZDUSSCGKSA-N 1 0 362.434 0.695 10 5 FCBERO CCn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000363623326 489484206 /nfs/dbraw/zinc/48/42/06/489484206.db2.gz KNEJWZVQQFKHJN-OAHLLOKOSA-N 1 0 374.397 0.969 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426485651 489569755 /nfs/dbraw/zinc/56/97/55/489569755.db2.gz OOBKQOIPQRMGIZ-CYBMUJFWSA-N 1 0 366.418 0.930 10 5 FCBERO C[C@H]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)[C@@H](C)[C@H]1[NH3+] ZINC000457362937 489645212 /nfs/dbraw/zinc/64/52/12/489645212.db2.gz NOZRPEFZRFHKBJ-DINDLPBHSA-N 1 0 362.386 0.904 10 5 FCBERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418752300 489721764 /nfs/dbraw/zinc/72/17/64/489721764.db2.gz SYIOXAFRCLBQIG-GFCCVEGCSA-N 1 0 370.360 0.819 10 5 FCBERO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556509573 491317295 /nfs/dbraw/zinc/31/72/95/491317295.db2.gz ILNOOGKEHPXXCM-LBPRGKRZSA-N 1 0 366.418 0.870 10 5 FCBERO COC(=O)c1cc(C)nc(NC[C@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000450609117 490479177 /nfs/dbraw/zinc/47/91/77/490479177.db2.gz DTSVSLWMKBOINJ-GFCCVEGCSA-N 1 0 352.391 1.344 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423036819 490526050 /nfs/dbraw/zinc/52/60/50/490526050.db2.gz LQZXYXPBXGVIAF-CVEARBPZSA-N 1 0 369.443 0.725 10 5 FCBERO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501058248 490574597 /nfs/dbraw/zinc/57/45/97/490574597.db2.gz IWUODXDSRGPBNM-NSHDSACASA-N 1 0 356.404 0.676 10 5 FCBERO COC(=O)c1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000512629414 490690618 /nfs/dbraw/zinc/69/06/18/490690618.db2.gz RABCAIMLUIWUIK-UHFFFAOYSA-N 1 0 364.402 0.701 10 5 FCBERO COC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000515854302 490841454 /nfs/dbraw/zinc/84/14/54/490841454.db2.gz UPKVETZNPSWAQR-ZDUSSCGKSA-N 1 0 353.375 0.369 10 5 FCBERO COC(=O)c1cc(OC[C@@H](O)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000516775471 490877692 /nfs/dbraw/zinc/87/76/92/490877692.db2.gz QPRYTQDCUJFMLY-LBPRGKRZSA-N 1 0 353.375 0.369 10 5 FCBERO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000542170660 490888036 /nfs/dbraw/zinc/88/80/36/490888036.db2.gz UOYGSYZGEAGXSL-AWEZNQCLSA-N 1 0 363.418 0.607 10 5 FCBERO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cn2)CC1 ZINC000518268368 490935085 /nfs/dbraw/zinc/93/50/85/490935085.db2.gz WDRRGZUPMPFUPG-UHFFFAOYSA-N 1 0 373.417 0.645 10 5 FCBERO C[N@@H+]1CC[C@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000518395266 490939419 /nfs/dbraw/zinc/93/94/19/490939419.db2.gz HLMSTFLXZBQELL-GFCCVEGCSA-N 1 0 370.431 0.331 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000543940477 490952482 /nfs/dbraw/zinc/95/24/82/490952482.db2.gz VFBZKEBJVIZLIR-UHFFFAOYSA-N 1 0 352.391 0.743 10 5 FCBERO COc1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000558131924 491416001 /nfs/dbraw/zinc/41/60/01/491416001.db2.gz WAEDIYUXMHAPRI-CYBMUJFWSA-N 1 0 372.447 0.964 10 5 FCBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000576743683 491640908 /nfs/dbraw/zinc/64/09/08/491640908.db2.gz MBANWPHXVVPDCU-ZDUSSCGKSA-N 1 0 360.374 0.920 10 5 FCBERO CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC000578505801 491678650 /nfs/dbraw/zinc/67/86/50/491678650.db2.gz KGPXONLASJOUBF-NWDGAFQWSA-N 1 0 363.418 0.729 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590354957 491774125 /nfs/dbraw/zinc/77/41/25/491774125.db2.gz FJTYTRGSIFSNFY-INIZCTEOSA-N 1 0 370.413 0.900 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590354978 491774180 /nfs/dbraw/zinc/77/41/80/491774180.db2.gz GTNWPMXRHQXOGA-MRXNPFEDSA-N 1 0 370.413 0.900 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590447221 491777036 /nfs/dbraw/zinc/77/70/36/491777036.db2.gz WKNRKVZXQNTUSD-OCCSQVGLSA-N 1 0 362.386 0.496 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000590562480 491779593 /nfs/dbraw/zinc/77/95/93/491779593.db2.gz LVHWDZIMOFUVOV-UONOGXRCSA-N 1 0 351.407 0.811 10 5 FCBERO CCOC(=O)c1ccnc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000591984319 491826600 /nfs/dbraw/zinc/82/66/00/491826600.db2.gz DNIAHSUSYJZSJG-LLVKDONJSA-N 1 0 365.390 0.723 10 5 FCBERO O=C(N1CC[NH2+]CC1)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000600713591 491878354 /nfs/dbraw/zinc/87/83/54/491878354.db2.gz JVQBIFGPRDWGIP-UHFFFAOYSA-N 1 0 351.382 0.877 10 5 FCBERO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595279205 491912193 /nfs/dbraw/zinc/91/21/93/491912193.db2.gz XVRUVFQPVHVKOB-UHFFFAOYSA-N 1 0 373.413 0.112 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595869048 491958070 /nfs/dbraw/zinc/95/80/70/491958070.db2.gz TUDPQMPNKZLFJH-SJORKVTESA-N 1 0 365.430 0.866 10 5 FCBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596275940 491982119 /nfs/dbraw/zinc/98/21/19/491982119.db2.gz XANPRYIZJXNSHV-QWRGUYRKSA-N 1 0 358.420 0.134 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 ZINC000596569633 491991299 /nfs/dbraw/zinc/99/12/99/491991299.db2.gz YXVXWOUGEJVFTP-CYBMUJFWSA-N 1 0 372.447 0.789 10 5 FCBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000597626406 492052517 /nfs/dbraw/zinc/05/25/17/492052517.db2.gz UBJSEPOCCYURJX-GFCCVEGCSA-N 1 0 354.357 0.922 10 5 FCBERO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])cc1F ZINC000597627466 492052925 /nfs/dbraw/zinc/05/29/25/492052925.db2.gz UPROZRQAPTYNFC-NSHDSACASA-N 1 0 352.366 0.862 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000598367278 492096390 /nfs/dbraw/zinc/09/63/90/492096390.db2.gz SHTDLUSIHYAYMM-ZIAGYGMSSA-N 1 0 363.418 0.859 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000599101624 492135344 /nfs/dbraw/zinc/13/53/44/492135344.db2.gz MTIYIYDQJWZVCE-SFYZADRCSA-N 1 0 371.341 0.476 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000599108658 492135994 /nfs/dbraw/zinc/13/59/94/492135994.db2.gz PGGKNZLJJHHEQY-NEPJUHHUSA-N 1 0 357.436 0.729 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000599110998 492136277 /nfs/dbraw/zinc/13/62/77/492136277.db2.gz VJKAIIGXYLVIGK-CQSZACIVSA-N 1 0 370.431 0.769 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000599206298 492142193 /nfs/dbraw/zinc/14/21/93/492142193.db2.gz FOZMIQOLCAHDHJ-UHFFFAOYSA-N 1 0 352.376 0.234 10 5 FCBERO COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599568647 492189086 /nfs/dbraw/zinc/18/90/86/492189086.db2.gz HJKUEELKUSISEH-CZUORRHYSA-N 1 0 354.359 0.598 10 5 FCBERO CCC1(N2CCOCC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599670450 492198715 /nfs/dbraw/zinc/19/87/15/492198715.db2.gz WEBNVABDELJQLI-MRXNPFEDSA-N 1 0 367.450 0.729 10 5 FCBERO [NH3+]C1(CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCOCC1 ZINC000599929770 492218127 /nfs/dbraw/zinc/21/81/27/492218127.db2.gz CGRIRDCUFJGSTL-UHFFFAOYSA-N 1 0 363.418 0.934 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600408949 492267608 /nfs/dbraw/zinc/26/76/08/492267608.db2.gz DUHHQLCQGYRNMJ-UHFFFAOYSA-N 1 0 351.407 0.813 10 5 FCBERO CC[C@@H](Cn1cncn1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000550938191 546533234 /nfs/dbraw/zinc/53/32/34/546533234.db2.gz RKKJGMHZRJCILY-LBPRGKRZSA-N 1 0 368.419 0.533 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000592390248 546949627 /nfs/dbraw/zinc/94/96/27/546949627.db2.gz LNBFYOHJOYTOGW-CYBMUJFWSA-N 1 0 369.399 0.802 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000592873600 546960456 /nfs/dbraw/zinc/96/04/56/546960456.db2.gz OPYUQPQGGNXYBA-LLVKDONJSA-N 1 0 352.395 0.105 10 5 FCBERO CC(C)OC(=O)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000819064218 668976439 /nfs/dbraw/zinc/97/64/39/668976439.db2.gz ULXUXNPAVDPSAO-CQSZACIVSA-N 1 0 355.395 0.751 10 5 FCBERO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000810058179 669659382 /nfs/dbraw/zinc/65/93/82/669659382.db2.gz OHVFNKPRHVYKMP-UHFFFAOYSA-N 1 0 370.391 0.621 10 5 FCBERO [NH3+]CC(F)(F)Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000844918359 670955457 /nfs/dbraw/zinc/95/54/57/670955457.db2.gz ULIDITQMQNPSDD-UHFFFAOYSA-N 1 0 355.301 0.973 10 5 FCBERO O=C(NCCCN1CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763245 671736660 /nfs/dbraw/zinc/73/66/60/671736660.db2.gz RQINZYJMDAYZIC-UHFFFAOYSA-N 1 0 358.345 0.978 10 5 FCBERO CN(CCN1CC[NH2+]CC1)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766250 671737016 /nfs/dbraw/zinc/73/70/16/671737016.db2.gz ZJHDFQOZTJTFNN-UHFFFAOYSA-N 1 0 358.345 0.930 10 5 FCBERO [NH3+]CCCOCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000861691116 671981168 /nfs/dbraw/zinc/98/11/68/671981168.db2.gz XRHMMBQOKWHMQK-UHFFFAOYSA-N 1 0 351.407 0.792 10 5 FCBERO COCC[N@H+](C)CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503885 672132229 /nfs/dbraw/zinc/13/22/29/672132229.db2.gz TXVANSPEAZIOBQ-MRXNPFEDSA-N 1 0 350.375 0.940 10 5 FCBERO C[N@@H+](CC(=O)NC(C)(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001481514160 1186213223 /nfs/dbraw/zinc/21/32/23/1186213223.db2.gz QZLCJBLBOVXIGW-ZIAGYGMSSA-N 1 0 354.451 0.737 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1cc(F)cc(F)c1 ZINC001670781213 1186293698 /nfs/dbraw/zinc/29/36/98/1186293698.db2.gz HNWMHJWRPNQTBQ-CHWSQXEVSA-N 1 0 368.340 0.807 10 5 FCBERO NC(=O)c1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001270743218 1188293970 /nfs/dbraw/zinc/29/39/70/1188293970.db2.gz KDCWXKMDJPYCFG-HUUCEWRRSA-N 1 0 360.414 0.969 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912924459 1196384592 /nfs/dbraw/zinc/38/45/92/1196384592.db2.gz WDFABGJNLAIVMU-ZDUSSCGKSA-N 1 0 360.370 0.627 10 5 FCBERO Cc1cc(OCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000592872138 1196586026 /nfs/dbraw/zinc/58/60/26/1196586026.db2.gz JQXVAZAXTNJNRW-ZDUSSCGKSA-N 1 0 364.402 0.860 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000592873644 1196586077 /nfs/dbraw/zinc/58/60/77/1196586077.db2.gz PTZPAYSVYXVISM-SNVBAGLBSA-N 1 0 364.358 0.516 10 5 FCBERO COC(=O)c1cc(C)nc(N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593486059 1196632796 /nfs/dbraw/zinc/63/27/96/1196632796.db2.gz IQJPGDGMFOLWNQ-UHFFFAOYSA-N 1 0 365.390 0.295 10 5 FCBERO C[N@@H+]1C[C@@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@]2(C)C1 ZINC001134332585 1203020239 /nfs/dbraw/zinc/02/02/39/1203020239.db2.gz OJWXDBOYNUKSCU-ZMZPIMSZSA-N 1 0 372.381 0.601 10 5 FCBERO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000816948889 1203083865 /nfs/dbraw/zinc/08/38/65/1203083865.db2.gz JIRGHOUIIZSWMG-RISCZKNCSA-N 1 0 363.370 0.957 10 5 FCBERO COc1ccc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1[N+](=O)[O-] ZINC001181413211 1206408169 /nfs/dbraw/zinc/40/81/69/1206408169.db2.gz LUHMEZSLORZBDJ-SUMWQHHRSA-N 1 0 365.386 0.559 10 5 FCBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001186757509 1206503992 /nfs/dbraw/zinc/50/39/92/1206503992.db2.gz XASVRXRDNFTKFT-CYBMUJFWSA-N 1 0 368.438 0.711 10 5 FCBERO C[C@]12C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001196833235 1208108930 /nfs/dbraw/zinc/10/89/30/1208108930.db2.gz QKNBITWPEHAVOK-CALCHBBNSA-N 1 0 360.370 0.908 10 5 FCBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000866555893 1209998747 /nfs/dbraw/zinc/99/87/47/1209998747.db2.gz VKQVHOOCDFBKHO-SJKOYZFVSA-N 1 0 367.377 0.882 10 5 FCBERO COC(=O)Cc1ccc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000826685512 1210971038 /nfs/dbraw/zinc/97/10/38/1210971038.db2.gz KQCTXAPNBXKZGP-GFCCVEGCSA-N 1 0 364.402 0.867 10 5 FCBERO Cc1ccc(CNC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001490888845 1216896948 /nfs/dbraw/zinc/89/69/48/1216896948.db2.gz ANGAOBQMEHNADN-HBJVGIJOSA-N 1 0 366.443 0.575 10 5 FCBERO CN(CC1CCCCC1)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001491017752 1220070587 /nfs/dbraw/zinc/07/05/87/1220070587.db2.gz VSSVAQLLFVAHCS-QKPAOTATSA-N 1 0 366.462 0.927 10 5 FCBERO O=C(NCC[NH+]1CCC(O)CC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001246195988 1259650543 /nfs/dbraw/zinc/65/05/43/1259650543.db2.gz LEODURWBOYFHEY-UHFFFAOYSA-N 1 0 362.390 0.727 10 5 FCBERO CC1CC[NH+](CC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001280386724 1261061890 /nfs/dbraw/zinc/06/18/90/1261061890.db2.gz MGXMIZONYOPEDK-HUUCEWRRSA-N 1 0 368.478 0.984 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001472258439 1261455440 /nfs/dbraw/zinc/45/54/40/1261455440.db2.gz GJOXIHNWCCZUDT-UONOGXRCSA-N 1 0 351.407 0.547 10 5 FCBERO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)C2)C1 ZINC001298594553 1262932247 /nfs/dbraw/zinc/93/22/47/1262932247.db2.gz GEUBMSGMWUGABP-MRXNPFEDSA-N 1 0 357.374 0.738 10 5 FCBERO C[C@H]1[C@@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC001479379569 1263188820 /nfs/dbraw/zinc/18/88/20/1263188820.db2.gz YKFAFQRWLXMCHL-BSLXNSKLSA-N 1 0 352.391 0.381 10 5 FCBERO Cn1ncnc1C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001480714560 1263435754 /nfs/dbraw/zinc/43/57/54/1263435754.db2.gz KHAQIGMZGURBKZ-HUUCEWRRSA-N 1 0 358.402 0.429 10 5 FCBERO Cc1noc(C)c1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001502623465 1264178123 /nfs/dbraw/zinc/17/81/23/1264178123.db2.gz COQUXJHLXCMBCQ-TZMCWYRMSA-N 1 0 352.391 0.712 10 5 FCBERO CN(CCC[NH2+]Cc1nnnn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322505872 1264208657 /nfs/dbraw/zinc/20/86/57/1264208657.db2.gz SKWVBDBDQZVMRV-ZIAGYGMSSA-N 1 0 359.390 0.266 10 5 FCBERO CN(C(=O)CCC[NH+]1CCCCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001506288504 1264308003 /nfs/dbraw/zinc/30/80/03/1264308003.db2.gz SJRYHGAPOJNWPG-HUUCEWRRSA-N 1 0 352.435 0.587 10 5 FCBERO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001524291785 1266699445 /nfs/dbraw/zinc/69/94/45/1266699445.db2.gz OMEKLJYAXDTYCQ-HZPDHXFCSA-N 1 0 366.462 0.977 10 5 FCBERO C[NH+](C)CCC(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001532046722 1267158339 /nfs/dbraw/zinc/15/83/39/1267158339.db2.gz BNAIMUSCPCUFTK-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO CN1CC[NH+](CC2CCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC001542922568 1267512985 /nfs/dbraw/zinc/51/29/85/1267512985.db2.gz NGGLKOAIHAEQNV-UHFFFAOYSA-N 1 0 362.434 0.672 10 5 FCBERO CC[NH+]1CCN(CCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001543829652 1267562236 /nfs/dbraw/zinc/56/22/36/1267562236.db2.gz WMDXZZLUIWWWQZ-INIZCTEOSA-N 1 0 350.419 0.772 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC001545794076 1267622403 /nfs/dbraw/zinc/62/24/03/1267622403.db2.gz UGVLFCPUPHDJIU-KBPBESRZSA-N 1 0 364.450 0.909 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001339323667 1268212882 /nfs/dbraw/zinc/21/28/82/1268212882.db2.gz GRYMPFWULDZKLX-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001341682869 1269150574 /nfs/dbraw/zinc/15/05/74/1269150574.db2.gz GJHXCDNCWDDPHE-QWHCGFSZSA-N 1 0 350.423 0.426 10 5 FCBERO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC001565609428 1269481620 /nfs/dbraw/zinc/48/16/20/1269481620.db2.gz ORKJRRKCMXFPSP-CJNGLKHVSA-N 1 0 350.419 0.628 10 5 FCBERO C[C@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001566166385 1269618212 /nfs/dbraw/zinc/61/82/12/1269618212.db2.gz FKEODUSELJXVDC-ONGXEEELSA-N 1 0 356.404 0.455 10 5 FCBERO Cc1csc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001713948342 1287307450 /nfs/dbraw/zinc/30/74/50/1287307450.db2.gz JBHNKXLIORVUAL-GWOFURMSSA-N 1 0 353.404 0.292 10 5 FCBERO CC(C)(C)NC(=O)NCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001714302182 1287318450 /nfs/dbraw/zinc/31/84/50/1287318450.db2.gz BLJLLYDVPNCUGA-AAVRWANBSA-N 1 0 369.466 0.766 10 5 FCBERO COCCOCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001717631815 1287431289 /nfs/dbraw/zinc/43/12/89/1287431289.db2.gz PZYCKKQHGKBFNA-SRABZTEZSA-N 1 0 355.435 0.485 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@]12CC[N@H+](C1)CCC2 ZINC001583054514 1282072651 /nfs/dbraw/zinc/07/26/51/1282072651.db2.gz IMBWVINEBQGFKA-GOSISDBHSA-N 1 0 374.397 0.922 10 5 FCBERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403849 1282243786 /nfs/dbraw/zinc/24/37/86/1282243786.db2.gz NJXJXYGRPHPFPR-BBRMVZONSA-N 1 0 350.419 0.770 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001586132282 1282276842 /nfs/dbraw/zinc/27/68/42/1282276842.db2.gz LIHMDIQMNYOZFB-OAHLLOKOSA-N 1 0 374.372 0.939 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001587975808 1282390254 /nfs/dbraw/zinc/39/02/54/1282390254.db2.gz ODGSBWKZMPFWMD-WBMJQRKESA-N 1 0 368.438 0.352 10 5 FCBERO O=C(CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)NCC[NH+]1CCCCC1 ZINC001635484560 1282411133 /nfs/dbraw/zinc/41/11/33/1282411133.db2.gz CMCSEENEAOXVFM-UHFFFAOYSA-N 1 0 358.786 0.303 10 5 FCBERO O=C(N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001636312368 1282483903 /nfs/dbraw/zinc/48/39/03/1282483903.db2.gz DSXQFTRSPXMTBC-STQMWFEESA-N 1 0 350.375 0.803 10 5 FCBERO COCC[N@H+](C)CCN1C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC1=O ZINC001642823678 1283042500 /nfs/dbraw/zinc/04/25/00/1283042500.db2.gz OFBGLBRGUORNHG-NSHDSACASA-N 1 0 371.825 0.656 10 5 FCBERO CC1CC[NH+](CC(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001681972667 1283522335 /nfs/dbraw/zinc/52/23/35/1283522335.db2.gz QJPZOHYIFKUORO-HUUCEWRRSA-N 1 0 366.462 0.786 10 5 FCBERO C[N@H+](CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001720386366 1288228458 /nfs/dbraw/zinc/22/84/58/1288228458.db2.gz NMPITULHGBEGAF-ZIAGYGMSSA-N 1 0 354.451 0.690 10 5 FCBERO CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001722118213 1288406900 /nfs/dbraw/zinc/40/69/00/1288406900.db2.gz DAUAWSXHHPJMEO-LXTVHRRPSA-N 1 0 352.435 0.584 10 5 FCBERO C[N@H+](CCF)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001723658051 1288427355 /nfs/dbraw/zinc/42/73/55/1288427355.db2.gz YTARFJGFHWBUAM-ZIAGYGMSSA-N 1 0 358.414 0.440 10 5 FCBERO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CC1 ZINC001733685910 1288625098 /nfs/dbraw/zinc/62/50/98/1288625098.db2.gz NXXKOCVVYNZNHQ-NMFUWQPSSA-N 1 0 352.435 0.442 10 5 FCBERO C[NH+](C)CC1(C(=O)NCCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001738208731 1289643871 /nfs/dbraw/zinc/64/38/71/1289643871.db2.gz BVWKCGLIJPXIOV-HUUCEWRRSA-N 1 0 366.462 0.738 10 5 FCBERO CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001620119621 1289975508 /nfs/dbraw/zinc/97/55/08/1289975508.db2.gz UTFUHPKSWZZDTO-MRXNPFEDSA-N 1 0 362.390 0.918 10 5 FCBERO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001623265150 1290208388 /nfs/dbraw/zinc/20/83/88/1290208388.db2.gz QHLAYTGLDOMRGD-NEPJUHHUSA-N 1 0 370.431 0.424 10 5 FCBERO C[NH+]1CCC(CCO)(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001624474893 1290274955 /nfs/dbraw/zinc/27/49/55/1290274955.db2.gz VNMZMSFHMCMGTI-UHFFFAOYSA-N 1 0 374.401 0.752 10 5 FCBERO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001625582257 1290352389 /nfs/dbraw/zinc/35/23/89/1290352389.db2.gz WIRUSBICRVTLLM-UHFFFAOYSA-N 1 0 374.401 0.687 10 5 FCBERO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001627775784 1290484754 /nfs/dbraw/zinc/48/47/54/1290484754.db2.gz HGQDKGHSFCMWNX-GFCCVEGCSA-N 1 0 370.431 0.846 10 5 FCBERO CC[N@@H+]1CC[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001643561766 1290905383 /nfs/dbraw/zinc/90/53/83/1290905383.db2.gz ZBJOPSIFDMBOQG-ZDUSSCGKSA-N 1 0 370.431 0.426 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001644124046 1290941380 /nfs/dbraw/zinc/94/13/80/1290941380.db2.gz WAROCXQTURWZJI-INIZCTEOSA-N 1 0 360.374 0.314 10 5 FCBERO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001644702752 1290974275 /nfs/dbraw/zinc/97/42/75/1290974275.db2.gz QLGKTSKDEFIUQQ-AHIWAGSCSA-N 1 0 374.397 0.755 10 5 FCBERO CC[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001646350680 1291064443 /nfs/dbraw/zinc/06/44/43/1291064443.db2.gz XAEYZTPKHYAXQE-LBPRGKRZSA-N 1 0 370.431 0.474 10 5 FCBERO O=C(CC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648635943 1291134104 /nfs/dbraw/zinc/13/41/04/1291134104.db2.gz WNAYULXMKKSBKL-NEPJUHHUSA-N 1 0 355.366 0.985 10 5 FCBERO C[N@H+](CCO)CCNC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC001651926448 1291251399 /nfs/dbraw/zinc/25/13/99/1291251399.db2.gz RCDCJJOWKHTNMH-UHFFFAOYSA-N 1 0 361.196 0.593 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCc1ccccc1 ZINC001661422202 1291692266 /nfs/dbraw/zinc/69/22/66/1291692266.db2.gz QPRZLFLUVNSVRP-KLHDSHLOSA-N 1 0 360.414 0.247 10 5 FCBERO O=C(NCc1cccc2c1CC[N@@H+](CCOCCO)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673079832 1292098214 /nfs/dbraw/zinc/09/82/14/1292098214.db2.gz QGTJTEJYUKHNLA-IAGOWNOFSA-N 1 0 363.414 0.335 10 5 FCBERO Cc1cc(NC(=O)C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001676050049 1292193076 /nfs/dbraw/zinc/19/30/76/1292193076.db2.gz ZSNBOTXCWFHADL-CHWSQXEVSA-N 1 0 365.390 0.510 10 5 FCBERO CC[NH+](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001678501920 1292274644 /nfs/dbraw/zinc/27/46/44/1292274644.db2.gz QJSFFILGXLXAJZ-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO CC[N@H+](C)CCC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001679001029 1292288650 /nfs/dbraw/zinc/28/86/50/1292288650.db2.gz FNEQMHXVWLNJGU-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3C[C@H]3CCOC3)CC[C@@H]21 ZINC001123105737 848568614 /nfs/dbraw/zinc/56/86/14/848568614.db2.gz BIZBHCBNRSXWKW-MCIONIFRSA-N 1 0 350.423 0.622 10 5 FCBERO C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC001134416270 849179543 /nfs/dbraw/zinc/17/95/43/849179543.db2.gz SYTRBAJNCCHOID-NSHDSACASA-N 1 0 370.431 0.718 10 5 FCBERO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001141654310 849403908 /nfs/dbraw/zinc/40/39/08/849403908.db2.gz QCOOCDIOOGEGBQ-LBPRGKRZSA-N 1 0 352.347 0.998 10 5 FCBERO CC(C)[N@H+](CCO)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001142847227 849463821 /nfs/dbraw/zinc/46/38/21/849463821.db2.gz KPRIUGZVIDOMPZ-UHFFFAOYSA-N 1 0 353.423 0.733 10 5 FCBERO COC(=O)CN(C)C(=O)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323088 850761889 /nfs/dbraw/zinc/76/18/89/850761889.db2.gz HPAIGQADCDVLKC-MRXNPFEDSA-N 1 0 353.375 0.413 10 5 FCBERO COC(=O)C1([C@]2(O)CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CCC1 ZINC001176485927 850789992 /nfs/dbraw/zinc/78/99/92/850789992.db2.gz PZQHSRUXBLCTLL-INIZCTEOSA-N 1 0 352.391 0.962 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001186855615 851477831 /nfs/dbraw/zinc/47/78/31/851477831.db2.gz ZAZOMKYBGJBZIJ-OAHLLOKOSA-N 1 0 357.432 0.891 10 5 FCBERO CCN(CC[NH2+]CC(=O)NC1CCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268449989 859532939 /nfs/dbraw/zinc/53/29/39/859532939.db2.gz MGSVEXZIPIMKTR-HUUCEWRRSA-N 1 0 354.451 0.929 10 5 FCBERO CCN(CC[NH2+]CC(=O)N1CCCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273376039 860471236 /nfs/dbraw/zinc/47/12/36/860471236.db2.gz TWZYQHDVKCYGGI-HUUCEWRRSA-N 1 0 354.451 0.882 10 5 FCBERO CCC1([NH2+]CC(=O)NCC2CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001273756670 860582668 /nfs/dbraw/zinc/58/26/68/860582668.db2.gz DIBUKFYHMIUNFP-ZIAGYGMSSA-N 1 0 352.435 0.539 10 5 FCBERO Cc1nc(CC[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cs1 ZINC001273968243 860644552 /nfs/dbraw/zinc/64/45/52/860644552.db2.gz GONFDGSDKUBQDW-ZIAGYGMSSA-N 1 0 368.459 0.914 10 5 FCBERO CC(C)OCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001274467654 860758028 /nfs/dbraw/zinc/75/80/28/860758028.db2.gz HLEYPRWHBZPXDC-HZPDHXFCSA-N 1 0 354.451 0.295 10 5 FCBERO O=C(NC1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001285941973 864658531 /nfs/dbraw/zinc/65/85/31/864658531.db2.gz TWOSUHVASSTSHU-CHWSQXEVSA-N 1 0 350.419 0.293 10 5 FCBERO CN(C(=O)CCCC[NH+]1CCCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001286020567 864668547 /nfs/dbraw/zinc/66/85/47/864668547.db2.gz URKGSINVJJVRCM-HUUCEWRRSA-N 1 0 352.435 0.587 10 5 FCBERO CCC[N@H+](CC)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001294275116 865828654 /nfs/dbraw/zinc/82/86/54/865828654.db2.gz VCOBVRJAFUXDJE-UHFFFAOYSA-N 1 0 358.420 0.704 10 5 FCBERO Cc1ccc(CNC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001317108502 867521111 /nfs/dbraw/zinc/52/11/11/867521111.db2.gz ANGAOBQMEHNADN-ZMJPVWNMSA-N 1 0 366.443 0.575 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccccc1F ZINC001321056654 868353261 /nfs/dbraw/zinc/35/32/61/868353261.db2.gz IMHUNLSWZKCJTL-UUSVCDRXSA-N 1 0 350.350 0.691 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001322886129 868980578 /nfs/dbraw/zinc/98/05/78/868980578.db2.gz RHENAOMHUCUBNM-UHFFFAOYSA-N 1 0 354.382 0.819 10 5 FCBERO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)sn1 ZINC001325003719 869744413 /nfs/dbraw/zinc/74/44/13/869744413.db2.gz XADOWEVKGRQSGZ-CHWSQXEVSA-N 1 0 354.432 0.872 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001329237508 871906225 /nfs/dbraw/zinc/90/62/25/871906225.db2.gz SXJFMDVYGXUTAG-UHFFFAOYSA-N 1 0 352.391 0.248 10 5 FCBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000292732631 214120563 /nfs/dbraw/zinc/12/05/63/214120563.db2.gz IFCSDWOTNXCYOS-OAHLLOKOSA-N 1 0 371.397 0.920 10 5 FCBERO Cn1cc([C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[NH+](C)C)cn1 ZINC000301284765 214752254 /nfs/dbraw/zinc/75/22/54/214752254.db2.gz MGLSIWVQQJEBTI-ZDUSSCGKSA-N 1 0 368.419 0.691 10 5 FCBERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265294019 210090053 /nfs/dbraw/zinc/09/00/53/210090053.db2.gz KWSFBWLTUAOLTI-LLVKDONJSA-N 1 0 356.404 0.547 10 5 FCBERO CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000285612726 213367957 /nfs/dbraw/zinc/36/79/57/213367957.db2.gz YXZFYTCYWLFETG-OAHLLOKOSA-N 1 0 357.432 0.889 10 5 FCBERO CN1CCO[C@@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000284711985 213203429 /nfs/dbraw/zinc/20/34/29/213203429.db2.gz JCKXRCYAINRAFJ-DLBZAZTESA-N 1 0 360.414 0.889 10 5 FCBERO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245444717 209368413 /nfs/dbraw/zinc/36/84/13/209368413.db2.gz JUYTXHLZHJGNCI-CVEARBPZSA-N 1 0 359.386 0.890 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246303556 209383838 /nfs/dbraw/zinc/38/38/38/209383838.db2.gz PWTVDFXTXKQEEV-DOMZBBRYSA-N 1 0 361.406 0.958 10 5 FCBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415328162 245387537 /nfs/dbraw/zinc/38/75/37/245387537.db2.gz HUKFLXOIXVCZSM-QMMMGPOBSA-N 1 0 357.164 0.774 10 5 FCBERO Cc1c(F)cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184901256 209168437 /nfs/dbraw/zinc/16/84/37/209168437.db2.gz WRYPCNWMZUPOMK-NSHDSACASA-N 1 0 374.438 0.957 10 5 FCBERO Cc1ccc(S(=O)(=O)N2CCNC[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181693118 209120188 /nfs/dbraw/zinc/12/01/88/209120188.db2.gz XAYFMPWIZVOIJR-HNNXBMFYSA-N 1 0 365.415 0.972 10 5 FCBERO Cn1cc([C@H]2CNCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000181697220 209119490 /nfs/dbraw/zinc/11/94/90/209119490.db2.gz INAAZRKGFODNSW-CQSZACIVSA-N 1 0 351.388 0.664 10 5 FCBERO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCC3(CC[NH2+]3)CC1)OCCO2 ZINC000422557421 246878947 /nfs/dbraw/zinc/87/89/47/246878947.db2.gz WCMZZWGMSDDORS-UHFFFAOYSA-N 1 0 369.399 0.883 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423582432 247061085 /nfs/dbraw/zinc/06/10/85/247061085.db2.gz GKCGKLVVMWZZNL-GASCZTMLSA-N 1 0 360.414 0.949 10 5 FCBERO COc1ccc(OCCN2CCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000440649234 248200459 /nfs/dbraw/zinc/20/04/59/248200459.db2.gz LEHHFHREROSJFV-LLVKDONJSA-N 1 0 359.404 0.735 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072797712 208042106 /nfs/dbraw/zinc/04/21/06/208042106.db2.gz FLKQLJXNKIQQEU-CQSZACIVSA-N 1 0 350.419 0.946 10 5 FCBERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106099526 208209940 /nfs/dbraw/zinc/20/99/40/208209940.db2.gz QNBJELSTHRQZGR-UONOGXRCSA-N 1 0 350.419 0.945 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266631620 210371220 /nfs/dbraw/zinc/37/12/20/210371220.db2.gz QALPLHJVPDJGAW-ZDUSSCGKSA-N 1 0 366.418 0.930 10 5 FCBERO CN1CCN(C(=O)CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000176238090 209000198 /nfs/dbraw/zinc/00/01/98/209000198.db2.gz KFWYWSUFXJFXMA-UHFFFAOYSA-N 1 0 364.450 0.667 10 5 FCBERO CC[C@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000180304337 209094594 /nfs/dbraw/zinc/09/45/94/209094594.db2.gz KDXRUSHTMMUVJS-NSHDSACASA-N 1 0 361.395 0.811 10 5 FCBERO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000163254126 229201349 /nfs/dbraw/zinc/20/13/49/229201349.db2.gz AZYMPZVBEZYXKP-OAHLLOKOSA-N 1 0 371.459 0.904 10 5 FCBERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000364340990 488948778 /nfs/dbraw/zinc/94/87/78/488948778.db2.gz SSMPMUBVBMHONU-UONOGXRCSA-N 1 0 353.375 0.799 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075718678 488399022 /nfs/dbraw/zinc/39/90/22/488399022.db2.gz IMERQOZYECVXAX-WBVHZDCISA-N 1 0 366.466 0.254 10 5 FCBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)nc1 ZINC000246486959 488473832 /nfs/dbraw/zinc/47/38/32/488473832.db2.gz GWWJKMRMOXSRKH-ZFWWWQNUSA-N 1 0 351.407 0.169 10 5 FCBERO CCOCC[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CC ZINC000246652773 488474349 /nfs/dbraw/zinc/47/43/49/488474349.db2.gz DGQRHSXBAIOUBD-GDBMZVCRSA-N 1 0 355.439 0.585 10 5 FCBERO CCOCC[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC000246652780 488474410 /nfs/dbraw/zinc/47/44/10/488474410.db2.gz DGQRHSXBAIOUBD-GOEBONIOSA-N 1 0 355.439 0.585 10 5 FCBERO Cc1csc([C@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000246806654 488476362 /nfs/dbraw/zinc/47/63/62/488476362.db2.gz WDIORLQKALWTQE-CHWSQXEVSA-N 1 0 353.404 0.991 10 5 FCBERO COc1ccc(CSCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000262057357 488548376 /nfs/dbraw/zinc/54/83/76/488548376.db2.gz AOYYOLAFKDMWNG-AAEUAGOBSA-N 1 0 355.416 0.533 10 5 FCBERO Cc1nn(Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2)c(C)c1[N+](=O)[O-] ZINC000262069908 488549309 /nfs/dbraw/zinc/54/93/09/488549309.db2.gz BMSRXLFKYRIJLS-HOTGVXAUSA-N 1 0 373.413 0.767 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000272422014 488579724 /nfs/dbraw/zinc/57/97/24/488579724.db2.gz HRHMDKMWIJBPLM-GJZGRUSLSA-N 1 0 373.413 0.941 10 5 FCBERO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000126236197 488607913 /nfs/dbraw/zinc/60/79/13/488607913.db2.gz RLWDPMZVLRVLMG-UHFFFAOYSA-N 1 0 360.374 0.608 10 5 FCBERO NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1=O ZINC000145507708 488693587 /nfs/dbraw/zinc/69/35/87/488693587.db2.gz HWTHZTQJCYSBHI-HNNXBMFYSA-N 1 0 372.381 0.275 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000265290989 488721016 /nfs/dbraw/zinc/72/10/16/488721016.db2.gz KKBMBNROMLGGLW-LBPRGKRZSA-N 1 0 370.431 0.855 10 5 FCBERO COCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000299215765 489418511 /nfs/dbraw/zinc/41/85/11/489418511.db2.gz JVKGFUMKSADPSW-UHFFFAOYSA-N 1 0 374.401 0.970 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000416393917 489588931 /nfs/dbraw/zinc/58/89/31/489588931.db2.gz WCKDUQLWWIWVDN-LLVKDONJSA-N 1 0 371.415 0.954 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)n1 ZINC000427827933 489622718 /nfs/dbraw/zinc/62/27/18/489622718.db2.gz SXMVXNLKCNTHRC-UHFFFAOYSA-N 1 0 352.439 0.909 10 5 FCBERO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1=O ZINC000476141208 489869759 /nfs/dbraw/zinc/86/97/59/489869759.db2.gz HCCLRCPJLGSDSW-CYBMUJFWSA-N 1 0 361.402 0.285 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420325032 489963638 /nfs/dbraw/zinc/96/36/38/489963638.db2.gz VYPYGXNGMDEVTK-AWEZNQCLSA-N 1 0 368.459 0.901 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444723134 490110509 /nfs/dbraw/zinc/11/05/09/490110509.db2.gz UQACBCPJNOGSFG-WCQGTBRESA-N 1 0 352.313 0.787 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000521624932 490283528 /nfs/dbraw/zinc/28/35/28/490283528.db2.gz NLXIZHBLKUSIMM-MNOVXSKESA-N 1 0 369.399 0.896 10 5 FCBERO C[NH+](C)CCCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498367874 490289883 /nfs/dbraw/zinc/28/98/83/490289883.db2.gz RATOYEZSYGEYSH-UHFFFAOYSA-N 1 0 351.407 0.852 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000522043242 490333839 /nfs/dbraw/zinc/33/38/39/490333839.db2.gz KWIBOHQLSZRIOK-UHFFFAOYSA-N 1 0 352.395 0.338 10 5 FCBERO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000535006085 490434763 /nfs/dbraw/zinc/43/47/63/490434763.db2.gz DEFNAUCJPAVNOA-UHFFFAOYSA-N 1 0 350.375 0.995 10 5 FCBERO CNS(=O)(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450612272 490479019 /nfs/dbraw/zinc/47/90/19/490479019.db2.gz JWOOLIQTRFTMCC-GFCCVEGCSA-N 1 0 372.447 0.762 10 5 FCBERO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000539023462 490762007 /nfs/dbraw/zinc/76/20/07/490762007.db2.gz FZVXUMLECRLSFR-ZIAGYGMSSA-N 1 0 364.450 0.959 10 5 FCBERO CN(CCC[NH+](C)C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000539417526 490782583 /nfs/dbraw/zinc/78/25/83/490782583.db2.gz XINSWTALFXKSSV-UHFFFAOYSA-N 1 0 350.375 0.730 10 5 FCBERO C[NH2+]C1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000557250946 491362120 /nfs/dbraw/zinc/36/21/20/491362120.db2.gz WCXWYPOIXRQFBB-UHFFFAOYSA-N 1 0 350.375 0.300 10 5 FCBERO COCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000541540949 490865999 /nfs/dbraw/zinc/86/59/99/490865999.db2.gz VPIDVAQRXMOCHX-CYBMUJFWSA-N 1 0 372.447 0.183 10 5 FCBERO O=C(CC[NH2+][C@H](CO)CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000516927675 490885281 /nfs/dbraw/zinc/88/52/81/490885281.db2.gz VHWOEUXUAAMZLM-ZDUSSCGKSA-N 1 0 352.391 0.206 10 5 FCBERO CC[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000517443802 490909416 /nfs/dbraw/zinc/90/94/16/490909416.db2.gz FGDRIKBCIDYPRY-LBPRGKRZSA-N 1 0 362.386 0.778 10 5 FCBERO COCC[N@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518399988 490939941 /nfs/dbraw/zinc/93/99/41/490939941.db2.gz ZFYZIDCADNZSQD-GFCCVEGCSA-N 1 0 368.390 0.487 10 5 FCBERO COC[C@@H](C(N)=O)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000559294870 491462234 /nfs/dbraw/zinc/46/22/34/491462234.db2.gz ZAWHXXGGTVEUTI-LBPRGKRZSA-N 1 0 352.347 0.325 10 5 FCBERO COCC[N@H+](C)CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560940173 491566084 /nfs/dbraw/zinc/56/60/84/491566084.db2.gz QAJWGGPXPAQPNS-UHFFFAOYSA-N 1 0 364.402 0.174 10 5 FCBERO O=C1CCCN1CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568912193 491619112 /nfs/dbraw/zinc/61/91/12/491619112.db2.gz UQDXLHFWRQSTJV-UHFFFAOYSA-N 1 0 355.416 0.971 10 5 FCBERO Nc1nc(SCC(=O)NC2CC[NH+](C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000569002080 491626268 /nfs/dbraw/zinc/62/62/68/491626268.db2.gz WPOPEQMIUJSFRU-UHFFFAOYSA-N 1 0 352.420 0.802 10 5 FCBERO O=C(N1CCc2ncc([N+](=O)[O-])cc2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000580552667 491735958 /nfs/dbraw/zinc/73/59/58/491735958.db2.gz REAZRUWECXSXOR-UHFFFAOYSA-N 1 0 356.386 0.850 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000589929530 491767461 /nfs/dbraw/zinc/76/74/61/491767461.db2.gz JSAMKCWXEYSSRX-MFKMUULPSA-N 1 0 369.399 0.706 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000589929532 491767658 /nfs/dbraw/zinc/76/76/58/491767658.db2.gz JSAMKCWXEYSSRX-ZWNOBZJWSA-N 1 0 369.399 0.706 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590447219 491776984 /nfs/dbraw/zinc/77/69/84/491776984.db2.gz WKNRKVZXQNTUSD-JSGCOSHPSA-N 1 0 362.386 0.496 10 5 FCBERO COCC(COC)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000591185467 491798380 /nfs/dbraw/zinc/79/83/80/491798380.db2.gz SDTXMJMBDMVSMN-UHFFFAOYSA-N 1 0 354.407 0.453 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC000591263327 491800604 /nfs/dbraw/zinc/80/06/04/491800604.db2.gz SVPHNJRUVLOOCC-CQSZACIVSA-N 1 0 365.386 0.918 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000584349333 491863667 /nfs/dbraw/zinc/86/36/67/491863667.db2.gz ONCQBVUSYRQQEE-SFHVURJKSA-N 1 0 374.397 0.922 10 5 FCBERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594919331 491872013 /nfs/dbraw/zinc/87/20/13/491872013.db2.gz XQAFRTZZHLTBLG-DDTOSNHZSA-N 1 0 371.415 0.660 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594928108 491872659 /nfs/dbraw/zinc/87/26/59/491872659.db2.gz ZTRIDNPSTMQKRC-QJPTWQEYSA-N 1 0 371.415 0.660 10 5 FCBERO Cc1cc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])s1 ZINC000601342990 491906300 /nfs/dbraw/zinc/90/63/00/491906300.db2.gz HXXPUHZXRPDKDI-NSHDSACASA-N 1 0 360.461 0.633 10 5 FCBERO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595254580 491908375 /nfs/dbraw/zinc/90/83/75/491908375.db2.gz ZVRCUAXUWXNJSA-HNNXBMFYSA-N 1 0 364.402 0.632 10 5 FCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595383265 491926174 /nfs/dbraw/zinc/92/61/74/491926174.db2.gz BIDOQECIOHFVNF-ZDUSSCGKSA-N 1 0 355.416 0.815 10 5 FCBERO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595385233 491926652 /nfs/dbraw/zinc/92/66/52/491926652.db2.gz WXEQYRPPQDLNTB-GFCCVEGCSA-N 1 0 373.406 0.954 10 5 FCBERO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595916385 491960827 /nfs/dbraw/zinc/96/08/27/491960827.db2.gz RMMNGOSKYGNZDB-GFCCVEGCSA-N 1 0 371.401 0.752 10 5 FCBERO COc1cc(OCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597575239 492049019 /nfs/dbraw/zinc/04/90/19/492049019.db2.gz VPSRDSOCARVBBR-KRWDZBQOSA-N 1 0 367.402 0.897 10 5 FCBERO CCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000597946646 492074753 /nfs/dbraw/zinc/07/47/53/492074753.db2.gz RGNZNMIKYQGGCA-GFCCVEGCSA-N 1 0 370.431 0.426 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000598164675 492086681 /nfs/dbraw/zinc/08/66/81/492086681.db2.gz UJIHDBFUUCIGFL-UHFFFAOYSA-N 1 0 352.416 0.806 10 5 FCBERO COCC[N@@H+]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598590193 492106143 /nfs/dbraw/zinc/10/61/43/492106143.db2.gz LYBNRVVAPPVCLA-UHFFFAOYSA-N 1 0 366.422 0.380 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598723241 492116010 /nfs/dbraw/zinc/11/60/10/492116010.db2.gz FSMPEDZCWLXDQF-MEBBXXQBSA-N 1 0 369.399 0.883 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000599100714 492135150 /nfs/dbraw/zinc/13/51/50/492135150.db2.gz MJCQIUGKMAOOLV-LBPRGKRZSA-N 1 0 351.388 0.575 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000599102759 492135700 /nfs/dbraw/zinc/13/57/00/492135700.db2.gz UCOGCXONTWUABJ-GFCCVEGCSA-N 1 0 357.436 0.729 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000599266808 492151622 /nfs/dbraw/zinc/15/16/22/492151622.db2.gz MIVIEVBCWROCCK-WCQYABFASA-N 1 0 369.447 0.966 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000599267275 492151787 /nfs/dbraw/zinc/15/17/87/492151787.db2.gz YBYPVQRUTPWYKE-LBPRGKRZSA-N 1 0 357.436 0.681 10 5 FCBERO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599561564 492187034 /nfs/dbraw/zinc/18/70/34/492187034.db2.gz BLISDWJVDARNKV-BLLLJJGKSA-N 1 0 354.359 0.598 10 5 FCBERO COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599561567 492187066 /nfs/dbraw/zinc/18/70/66/492187066.db2.gz BLISDWJVDARNKV-MLGOLLRUSA-N 1 0 354.359 0.598 10 5 FCBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@H]21 ZINC000599656390 492197122 /nfs/dbraw/zinc/19/71/22/492197122.db2.gz IPQDNJZBMAOFTB-BYNSBNAKSA-N 1 0 352.391 0.816 10 5 FCBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000599899874 492216096 /nfs/dbraw/zinc/21/60/96/492216096.db2.gz LHEHPBFRZCEGTH-UHFFFAOYSA-N 1 0 350.375 0.774 10 5 FCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000599921445 492217826 /nfs/dbraw/zinc/21/78/26/492217826.db2.gz RTBBKGTYILACHL-HNNXBMFYSA-N 1 0 366.422 0.591 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000610336502 492242700 /nfs/dbraw/zinc/24/27/00/492242700.db2.gz QZWYDGJIHLGOIU-AWEZNQCLSA-N 1 0 361.406 0.570 10 5 FCBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610925860 492269929 /nfs/dbraw/zinc/26/99/29/492269929.db2.gz IUBMFNPUXYVRDZ-ZDUSSCGKSA-N 1 0 365.386 0.943 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619873302 492280479 /nfs/dbraw/zinc/28/04/79/492280479.db2.gz BIQIJAICIUCIFD-CYBMUJFWSA-N 1 0 371.397 0.968 10 5 FCBERO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262258631 534753646 /nfs/dbraw/zinc/75/36/46/534753646.db2.gz MANZQNAHOHGRKK-FZKQIMNGSA-N 1 0 351.406 0.851 10 5 FCBERO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000420980091 536394578 /nfs/dbraw/zinc/39/45/78/536394578.db2.gz UEFKPQBVRLGBGV-NSHDSACASA-N 1 0 350.375 1.000 10 5 FCBERO COc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592878834 546960176 /nfs/dbraw/zinc/96/01/76/546960176.db2.gz HIHMRQFQAXILCS-NSHDSACASA-N 1 0 350.375 0.795 10 5 FCBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000593234171 546964912 /nfs/dbraw/zinc/96/49/12/546964912.db2.gz FQWWFSITIRPURF-UHFFFAOYSA-N 1 0 350.375 0.449 10 5 FCBERO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593528236 546970171 /nfs/dbraw/zinc/97/01/71/546970171.db2.gz IVSWKAUTZQZQPU-UHFFFAOYSA-N 1 0 357.436 0.296 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc1 ZINC000593571393 546977876 /nfs/dbraw/zinc/97/78/76/546977876.db2.gz HMXDSQOUBMEGFH-OLZOCXBDSA-N 1 0 356.404 0.210 10 5 FCBERO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593581184 546978815 /nfs/dbraw/zinc/97/88/15/546978815.db2.gz PDFFGIQVKOQZKR-LBPRGKRZSA-N 1 0 357.436 0.294 10 5 FCBERO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC000593590292 546981669 /nfs/dbraw/zinc/98/16/69/546981669.db2.gz GPQFEAGSBLMLLY-UHFFFAOYSA-N 1 0 357.436 0.294 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594821865 547013966 /nfs/dbraw/zinc/01/39/66/547013966.db2.gz PFTTUSQLCLYWEL-JTQLQIEISA-N 1 0 359.404 1.000 10 5 FCBERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262154823 665019979 /nfs/dbraw/zinc/01/99/79/665019979.db2.gz SLTVRFHKEVAFAQ-ZWNOBZJWSA-N 1 0 358.420 0.363 10 5 FCBERO O=C(Nc1cccc([N+](=O)[O-])c1Cl)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847580480 671208944 /nfs/dbraw/zinc/20/89/44/671208944.db2.gz MMCZMXPKUWEUSR-VHSXEESVSA-N 1 0 368.777 0.464 10 5 FCBERO O=C1O[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848678774 671289674 /nfs/dbraw/zinc/28/96/74/671289674.db2.gz NUNNGXGMDTUDFC-STQMWFEESA-N 1 0 351.359 0.907 10 5 FCBERO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000857004746 671712537 /nfs/dbraw/zinc/71/25/37/671712537.db2.gz GMRWJVIXNRUGHW-LLVKDONJSA-N 1 0 357.317 0.830 10 5 FCBERO COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000862545814 672049950 /nfs/dbraw/zinc/04/99/50/672049950.db2.gz DBTHYIOALMYSOJ-VXGBXAGGSA-N 1 0 350.327 0.751 10 5 FCBERO Cc1ccc(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000867784979 672366949 /nfs/dbraw/zinc/36/69/49/672366949.db2.gz JCUUKNYDIONBIU-UHFFFAOYSA-N 1 0 370.475 0.960 10 5 FCBERO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032808 672593400 /nfs/dbraw/zinc/59/34/00/672593400.db2.gz ZPGZHSCQBYVENT-GFCCVEGCSA-N 1 0 374.438 0.962 10 5 FCBERO Cc1cncc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001266262501 1167737836 /nfs/dbraw/zinc/73/78/36/1167737836.db2.gz KWEFKODCALDBDQ-IAGOWNOFSA-N 1 0 361.446 0.679 10 5 FCBERO CCN(CCNC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001745369941 1182304295 /nfs/dbraw/zinc/30/42/95/1182304295.db2.gz PMDPFURMMLTYCR-HUUCEWRRSA-N 1 0 354.451 0.737 10 5 FCBERO CN(CCC[NH2+]CC(=O)N1CCc2ccccc21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268790544 1187779980 /nfs/dbraw/zinc/77/99/80/1187779980.db2.gz GYQQBJBWYSHEOF-GDBMZVCRSA-N 1 0 360.414 0.679 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000912610450 1196354057 /nfs/dbraw/zinc/35/40/57/1196354057.db2.gz QGBWLORQKPAUFE-UHFFFAOYSA-N 1 0 366.418 0.428 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000593234274 1196765055 /nfs/dbraw/zinc/76/50/55/1196765055.db2.gz AZJLDLFDJVCUMA-UHFFFAOYSA-N 1 0 373.413 0.851 10 5 FCBERO COC(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001136874623 1203293784 /nfs/dbraw/zinc/29/37/84/1203293784.db2.gz RPGKYTWWOYWVBB-NHYWBVRUSA-N 1 0 364.402 0.746 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000844042428 1203331365 /nfs/dbraw/zinc/33/13/65/1203331365.db2.gz WDAMGFYYKOPGEQ-GFCCVEGCSA-N 1 0 374.401 0.523 10 5 FCBERO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001144520587 1204544973 /nfs/dbraw/zinc/54/49/73/1204544973.db2.gz XKHMTVSSVGCTJA-UHFFFAOYSA-N 1 0 359.390 0.984 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008413 1206370737 /nfs/dbraw/zinc/37/07/37/1206370737.db2.gz KGALCNPVONUJQE-WCQYABFASA-N 1 0 366.422 0.417 10 5 FCBERO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854354975 1209623586 /nfs/dbraw/zinc/62/35/86/1209623586.db2.gz WHWASYVYFKCCHC-HNNXBMFYSA-N 1 0 358.402 0.451 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000861812326 1209884240 /nfs/dbraw/zinc/88/42/40/1209884240.db2.gz DZGHSTFCQMSOPG-SWLSCSKDSA-N 1 0 361.402 0.110 10 5 FCBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000863577131 1209945654 /nfs/dbraw/zinc/94/56/54/1209945654.db2.gz YIEQPJCRZBONTI-DZGCQCFKSA-N 1 0 369.385 0.934 10 5 FCBERO CC(C)C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001163605953 1223232907 /nfs/dbraw/zinc/23/29/07/1223232907.db2.gz QHVYQJVAPBDYID-RYUDHWBXSA-N 1 0 365.438 0.956 10 5 FCBERO CC1([NH2+]CC(=O)Nc2cnccn2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327981586 1265466022 /nfs/dbraw/zinc/46/60/22/1265466022.db2.gz FJHJHPBLLSMSJD-VXGBXAGGSA-N 1 0 362.390 0.051 10 5 FCBERO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001137047087 1259377999 /nfs/dbraw/zinc/37/79/99/1259377999.db2.gz CSYXCBIPJVEDNK-UHFFFAOYSA-N 1 0 364.406 0.102 10 5 FCBERO CCC[N@H+](C)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001335553568 1259713054 /nfs/dbraw/zinc/71/30/54/1259713054.db2.gz XXXAZOMASCCSSY-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001335838259 1259863153 /nfs/dbraw/zinc/86/31/53/1259863153.db2.gz QKFYMTHLMNDOMI-KBXCAEBGSA-N 1 0 360.414 0.664 10 5 FCBERO Cc1ccccc1CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001265476868 1260414672 /nfs/dbraw/zinc/41/46/72/1260414672.db2.gz TTZVBCQKNHRKPE-KLHDSHLOSA-N 1 0 360.414 0.513 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001473736859 1261494175 /nfs/dbraw/zinc/49/41/75/1261494175.db2.gz LLXJNPNBOSJFHI-TXEJJXNPSA-N 1 0 351.359 0.425 10 5 FCBERO O=C(CCC[NH+]1CCCC1)NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001293825102 1262721955 /nfs/dbraw/zinc/72/19/55/1262721955.db2.gz BPNHJPCOPUOYAV-HZPDHXFCSA-N 1 0 366.462 0.882 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001293982275 1262724412 /nfs/dbraw/zinc/72/44/12/1262724412.db2.gz PNGIVDHVSDXXDR-SFHVURJKSA-N 1 0 373.413 0.853 10 5 FCBERO CN(C)C(=O)c1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001483464577 1263443280 /nfs/dbraw/zinc/44/32/80/1263443280.db2.gz NOQIOMBXQLJORS-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493781734 1263741595 /nfs/dbraw/zinc/74/15/95/1263741595.db2.gz DBHQRCWZLDQMAE-QKPAOTATSA-N 1 0 364.446 0.729 10 5 FCBERO C[NH+](C)C1(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001494435936 1263768237 /nfs/dbraw/zinc/76/82/37/1263768237.db2.gz ZKZYFDAWSZMTKF-SSZWKKLZSA-N 1 0 364.446 0.489 10 5 FCBERO Cn1nc(C(F)(F)F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497584301 1263940870 /nfs/dbraw/zinc/94/08/70/1263940870.db2.gz POHHFLJFCRTVTR-LVUHIJSRSA-N 1 0 361.324 0.866 10 5 FCBERO CCN(CC)C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001499584296 1264035681 /nfs/dbraw/zinc/03/56/81/1264035681.db2.gz ZULSIMLINHJGNB-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO COc1coc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cc1=O ZINC001501950964 1264157184 /nfs/dbraw/zinc/15/71/84/1264157184.db2.gz SNQJSRBPWMAFTO-VXGBXAGGSA-N 1 0 351.359 0.442 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC001502869020 1264184050 /nfs/dbraw/zinc/18/40/50/1264184050.db2.gz AJYYZPRKMQXTLA-CHWSQXEVSA-N 1 0 368.821 0.843 10 5 FCBERO COCCCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001503723667 1264221913 /nfs/dbraw/zinc/22/19/13/1264221913.db2.gz PYEWVLOEBBBXAH-HUUCEWRRSA-N 1 0 355.435 0.772 10 5 FCBERO COc1coc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O ZINC001505811574 1264280285 /nfs/dbraw/zinc/28/02/85/1264280285.db2.gz LZJILWFSIWTDHR-CHWSQXEVSA-N 1 0 367.402 0.888 10 5 FCBERO CC(C)NC(=O)NCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001326512871 1265123659 /nfs/dbraw/zinc/12/36/59/1265123659.db2.gz OGHXKUXDJDCADA-KBUPBQIOSA-N 1 0 369.466 0.624 10 5 FCBERO O=C(N[C@H]1CC[C@H](C[NH2+]CCCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326512638 1265123927 /nfs/dbraw/zinc/12/39/27/1265123927.db2.gz JMGZEMVAVNDBMW-KLHDSHLOSA-N 1 0 366.462 0.929 10 5 FCBERO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001544139215 1267571107 /nfs/dbraw/zinc/57/11/07/1267571107.db2.gz KBQQMBNASBFWAE-YGRLFVJLSA-N 1 0 351.363 0.867 10 5 FCBERO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001544139213 1267571248 /nfs/dbraw/zinc/57/12/48/1267571248.db2.gz KBQQMBNASBFWAE-IINYFYTJSA-N 1 0 351.363 0.867 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC[N@H+](C)CCO ZINC001557695460 1268966910 /nfs/dbraw/zinc/96/69/10/1268966910.db2.gz UHDIBOQKYRRUDP-GFCCVEGCSA-N 1 0 356.427 0.210 10 5 FCBERO CN(C(=O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001560060421 1269184815 /nfs/dbraw/zinc/18/48/15/1269184815.db2.gz NCIXPSHELZQKKY-IAGOWNOFSA-N 1 0 360.370 0.542 10 5 FCBERO CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001566429051 1269642398 /nfs/dbraw/zinc/64/23/98/1269642398.db2.gz SOUKJFUVQPTEKG-LBPRGKRZSA-N 1 0 370.431 0.426 10 5 FCBERO O=C(NCCN1CCC([NH2+]CC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001569886487 1269814207 /nfs/dbraw/zinc/81/42/07/1269814207.db2.gz CMVDVALNJMDVFV-HZPDHXFCSA-N 1 0 354.451 0.248 10 5 FCBERO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001573141552 1270615669 /nfs/dbraw/zinc/61/56/69/1270615669.db2.gz ZGXGPMFUMKDYCP-LXTVHRRPSA-N 1 0 352.435 0.539 10 5 FCBERO CN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1nccs1 ZINC001713192707 1287269104 /nfs/dbraw/zinc/26/91/04/1287269104.db2.gz VYXDUFKHMGLSEX-LMLFDSFASA-N 1 0 353.404 0.008 10 5 FCBERO CCN(CC[NH2+]Cc1cc(=O)n2ccsc2n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715732170 1287360840 /nfs/dbraw/zinc/36/08/40/1287360840.db2.gz RMLFLHBKCHKXNG-VXGBXAGGSA-N 1 0 365.415 0.359 10 5 FCBERO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CC1 ZINC001585216550 1282213555 /nfs/dbraw/zinc/21/35/55/1282213555.db2.gz MCNJRIUFYAGXAI-UHFFFAOYSA-N 1 0 359.390 0.984 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001585898660 1282254533 /nfs/dbraw/zinc/25/45/33/1282254533.db2.gz DSPJNNAVFMQKPT-UHFFFAOYSA-N 1 0 361.402 0.991 10 5 FCBERO C[N@@H+]1CC[C@H](CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001633693918 1282267900 /nfs/dbraw/zinc/26/79/00/1282267900.db2.gz KPEORKBWCDYUIQ-GFCCVEGCSA-N 1 0 355.416 0.827 10 5 FCBERO C[NH+](C)CCOCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001637578541 1282606845 /nfs/dbraw/zinc/60/68/45/1282606845.db2.gz AFLRUVZQWLFRQF-GFCCVEGCSA-N 1 0 368.390 0.487 10 5 FCBERO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC(O)CC1 ZINC001640857527 1282909493 /nfs/dbraw/zinc/90/94/93/1282909493.db2.gz OGRVPPDEGIZYQB-UHFFFAOYSA-N 1 0 364.402 0.288 10 5 FCBERO CC[N@H+](C)[C@@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC001640948417 1282915959 /nfs/dbraw/zinc/91/59/59/1282915959.db2.gz MURQSKGKIJDBSL-LLVKDONJSA-N 1 0 360.370 0.743 10 5 FCBERO C[N@H+](CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001681855212 1283511514 /nfs/dbraw/zinc/51/15/14/1283511514.db2.gz CAQGTZFPAHGUKN-HZPDHXFCSA-N 1 0 364.446 0.801 10 5 FCBERO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccccc1C[NH+](C)C ZINC001704884726 1286314529 /nfs/dbraw/zinc/31/45/29/1286314529.db2.gz UXIRZPKNRYGZSK-HZPDHXFCSA-N 1 0 362.430 0.944 10 5 FCBERO O=C(C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCC1 ZINC001732321887 1288580781 /nfs/dbraw/zinc/58/07/81/1288580781.db2.gz RAQCZPLZGFGYRN-HUUCEWRRSA-N 1 0 352.435 0.492 10 5 FCBERO O=C(NC/C=C\C[NH2+]Cc1cnc(C(F)(F)F)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732849408 1288595500 /nfs/dbraw/zinc/59/55/00/1288595500.db2.gz DUDYPAUIIYWPOC-JLVKAVFRSA-N 1 0 359.308 0.923 10 5 FCBERO CC1([NH2+]CC(=O)NCC(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733862667 1288633467 /nfs/dbraw/zinc/63/34/67/1288633467.db2.gz KXBMXWWOZLFUPQ-NXEZZACHSA-N 1 0 366.340 0.301 10 5 FCBERO CCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001733911511 1288635003 /nfs/dbraw/zinc/63/50/03/1288635003.db2.gz QXMVKLOXCZSCFA-ZIAGYGMSSA-N 1 0 352.435 0.492 10 5 FCBERO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001737370407 1289537380 /nfs/dbraw/zinc/53/73/80/1289537380.db2.gz YPMSVOWYDFRQSK-HUUCEWRRSA-N 1 0 354.451 0.833 10 5 FCBERO O=C(NC1(CO)CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700336822 1289594070 /nfs/dbraw/zinc/59/40/70/1289594070.db2.gz ZOZMSPIIVJFUPP-HUUCEWRRSA-N 1 0 351.378 0.934 10 5 FCBERO CC(C)NC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001700623371 1289599348 /nfs/dbraw/zinc/59/93/48/1289599348.db2.gz XJVMJHIINNXTSJ-KFZJALRRSA-N 1 0 352.435 0.347 10 5 FCBERO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001615912417 1289764128 /nfs/dbraw/zinc/76/41/28/1289764128.db2.gz WHXRUVFHKYWQJJ-LBPRGKRZSA-N 1 0 350.423 0.575 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC001617651039 1289853698 /nfs/dbraw/zinc/85/36/98/1289853698.db2.gz UQFKLGJYYDUBFF-CYZMBNFOSA-N 1 0 360.370 0.959 10 5 FCBERO CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001620119620 1289974732 /nfs/dbraw/zinc/97/47/32/1289974732.db2.gz UTFUHPKSWZZDTO-INIZCTEOSA-N 1 0 362.390 0.918 10 5 FCBERO C[NH+]1CCN(CCCNC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001623354990 1290214360 /nfs/dbraw/zinc/21/43/60/1290214360.db2.gz JYSNDRHGAURPHX-UHFFFAOYSA-N 1 0 373.417 0.543 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001624095194 1290251501 /nfs/dbraw/zinc/25/15/01/1290251501.db2.gz GWGYCJDNOJUGNI-UHFFFAOYSA-N 1 0 364.402 0.935 10 5 FCBERO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001626354264 1290392542 /nfs/dbraw/zinc/39/25/42/1290392542.db2.gz RXQMKPLKPKPZKQ-OAHLLOKOSA-N 1 0 361.402 0.731 10 5 FCBERO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(C)[C@@H](C)C1 ZINC001629046131 1290573396 /nfs/dbraw/zinc/57/33/96/1290573396.db2.gz NCRQBOPZGICFKR-NSHDSACASA-N 1 0 351.359 0.957 10 5 FCBERO CC[NH+](CC)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001630845854 1290705170 /nfs/dbraw/zinc/70/51/70/1290705170.db2.gz GWPLFZGQMIHNDH-NSHDSACASA-N 1 0 373.435 0.289 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)n1 ZINC001644149391 1290942430 /nfs/dbraw/zinc/94/24/30/1290942430.db2.gz DTTIILVPGLOHAP-OLZOCXBDSA-N 1 0 351.407 0.919 10 5 FCBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001653670070 1291362320 /nfs/dbraw/zinc/36/23/20/1291362320.db2.gz VHDLHVDOUGMUQS-FXAINCCUSA-N 1 0 357.326 0.910 10 5 FCBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001654477861 1291413305 /nfs/dbraw/zinc/41/33/05/1291413305.db2.gz LHUUGCOROYSQPH-LWNYNHHKSA-N 1 0 360.370 0.906 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CO)(CO)CC1 ZINC001655535620 1291472394 /nfs/dbraw/zinc/47/23/94/1291472394.db2.gz QESYVMNOLSLRED-UHFFFAOYSA-N 1 0 367.402 0.999 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001655770322 1291483909 /nfs/dbraw/zinc/48/39/09/1291483909.db2.gz BFPIYJNXNYVCHU-LBPRGKRZSA-N 1 0 370.431 0.842 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1cc(F)cc(F)c1 ZINC001661593272 1291701950 /nfs/dbraw/zinc/70/19/50/1291701950.db2.gz AVQULANJDOPMJX-YXCITZCRSA-N 1 0 368.340 0.805 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCCCC1 ZINC001668819966 1291975449 /nfs/dbraw/zinc/97/54/49/1291975449.db2.gz ADCCAYYWTSKFOY-XEVLESSRSA-N 1 0 352.435 0.753 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC001668822507 1291975711 /nfs/dbraw/zinc/97/57/11/1291975711.db2.gz YXVLNYIAHRICPV-WXVGIEASSA-N 1 0 368.340 0.831 10 5 FCBERO Cc1cc(NC(=O)C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC001276977981 861720225 /nfs/dbraw/zinc/72/02/25/861720225.db2.gz XBQCGZUINRXKEV-DDHJBXDOSA-N 1 0 351.363 0.071 10 5 FCBERO C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])S(C)(=O)=O ZINC001134416269 849179669 /nfs/dbraw/zinc/17/96/69/849179669.db2.gz SYTRBAJNCCHOID-LLVKDONJSA-N 1 0 370.431 0.718 10 5 FCBERO C[NH+]1CCC(CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001136537178 849227213 /nfs/dbraw/zinc/22/72/13/849227213.db2.gz YGYBSNRUIRRJOK-UHFFFAOYSA-N 1 0 356.404 0.314 10 5 FCBERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001137732418 849280837 /nfs/dbraw/zinc/28/08/37/849280837.db2.gz FPAATXREEAHMHX-INIZCTEOSA-N 1 0 353.375 0.799 10 5 FCBERO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001138154579 849301414 /nfs/dbraw/zinc/30/14/14/849301414.db2.gz ONMTVKBQNHNJJQ-JTQLQIEISA-N 1 0 356.404 0.266 10 5 FCBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@@H+](C)CCOCCO)c1F ZINC001175822195 850773566 /nfs/dbraw/zinc/77/35/66/850773566.db2.gz JHXIMZAPDXFKEA-UHFFFAOYSA-N 1 0 361.345 0.852 10 5 FCBERO CNS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001187281974 851537707 /nfs/dbraw/zinc/53/77/07/851537707.db2.gz ULXKAJGPKGUEEX-NSHDSACASA-N 1 0 372.447 0.760 10 5 FCBERO O=C(NCCC[NH+]1CCN(CCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266262277 859474825 /nfs/dbraw/zinc/47/48/25/859474825.db2.gz GFEXQTOUSSDLLQ-VXGBXAGGSA-N 1 0 352.357 0.728 10 5 FCBERO COc1ccccc1NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696332 859488143 /nfs/dbraw/zinc/48/81/43/859488143.db2.gz FLLFKAZHILODHP-DGCLKSJQSA-N 1 0 350.375 0.347 10 5 FCBERO CN(CC[NH2+]CC(=O)Nc1nc2c(s1)CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371883 859506001 /nfs/dbraw/zinc/50/60/01/859506001.db2.gz YTDXXAGMHAQGDD-MWLCHTKSSA-N 1 0 367.431 0.284 10 5 FCBERO CC(C)(C)CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267924977 859519871 /nfs/dbraw/zinc/51/98/71/859519871.db2.gz NECBSQSDLQJPEA-AAVRWANBSA-N 1 0 354.451 0.831 10 5 FCBERO CN(CC[NH2+]CCS(=O)(=O)c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317585765 867541937 /nfs/dbraw/zinc/54/19/37/867541937.db2.gz VALOZIHAEGXPHN-ZIAGYGMSSA-N 1 0 355.416 0.174 10 5 FCBERO Cc1csc2nc(C[NH2+]CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc(=O)n12 ZINC001317584976 867542565 /nfs/dbraw/zinc/54/25/65/867542565.db2.gz LIFNSKDBVHYIMA-VXGBXAGGSA-N 1 0 365.415 0.278 10 5 FCBERO CN(C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC001321058514 868354919 /nfs/dbraw/zinc/35/49/19/868354919.db2.gz YHCOBNLFLXAKAS-JBZXTQMFSA-N 1 0 352.435 0.705 10 5 FCBERO CCCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001323826045 869377321 /nfs/dbraw/zinc/37/73/21/869377321.db2.gz PGHBXUHPIRYRBB-ZIAGYGMSSA-N 1 0 352.435 0.492 10 5 FCBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001330019735 872423879 /nfs/dbraw/zinc/42/38/79/872423879.db2.gz LJFQDXNLCIDDBZ-UONOGXRCSA-N 1 0 350.375 0.347 10 5 FCBERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000293786962 214201140 /nfs/dbraw/zinc/20/11/40/214201140.db2.gz CFBXSODOYYTDPD-UONOGXRCSA-N 1 0 350.375 0.078 10 5 FCBERO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000262611072 209624776 /nfs/dbraw/zinc/62/47/76/209624776.db2.gz CXQPMCDQUHUDNA-WDEREUQCSA-N 1 0 370.431 0.654 10 5 FCBERO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1 ZINC000277008808 212318195 /nfs/dbraw/zinc/31/81/95/212318195.db2.gz LDVZWCJEWCFGFZ-UHFFFAOYSA-N 1 0 372.447 0.253 10 5 FCBERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000187142275 209205697 /nfs/dbraw/zinc/20/56/97/209205697.db2.gz RSAXNYZQZAAWOJ-CQSZACIVSA-N 1 0 363.418 0.938 10 5 FCBERO COC(=O)[C@]12C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]1COCC2 ZINC000373795393 217061126 /nfs/dbraw/zinc/06/11/26/217061126.db2.gz DPJTVIDRJNZMAF-BLLLJJGKSA-N 1 0 351.359 0.268 10 5 FCBERO NS(=O)(=O)c1cccc(NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000273499442 211724591 /nfs/dbraw/zinc/72/45/91/211724591.db2.gz RJEYDKOOTLVBTL-NSHDSACASA-N 1 0 358.420 0.501 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419344324 246106197 /nfs/dbraw/zinc/10/61/97/246106197.db2.gz RXBKDVHWMYOBBM-ZIAGYGMSSA-N 1 0 350.419 0.945 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423583563 247063580 /nfs/dbraw/zinc/06/35/80/247063580.db2.gz KNXAWBDYIRQEDW-ZBFHGGJFSA-N 1 0 360.414 0.806 10 5 FCBERO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424069125 247166989 /nfs/dbraw/zinc/16/69/89/247166989.db2.gz UKBLGCUYCWHDQR-CQSZACIVSA-N 1 0 359.390 0.953 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425550805 247352277 /nfs/dbraw/zinc/35/22/77/247352277.db2.gz WWUSIVMQZGBFDD-HZPDHXFCSA-N 1 0 368.434 0.700 10 5 FCBERO COc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000481031508 250309053 /nfs/dbraw/zinc/30/90/53/250309053.db2.gz DCELNPBAHKXIBJ-UHFFFAOYSA-N 1 0 358.358 0.819 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(CCO)CC1 ZINC000269705036 211050329 /nfs/dbraw/zinc/05/03/29/211050329.db2.gz LVHDMGFRMXBDLM-UHFFFAOYSA-N 1 0 359.404 0.292 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000326410982 488915304 /nfs/dbraw/zinc/91/53/04/488915304.db2.gz KUDKSZAZRYXSCJ-UHFFFAOYSA-N 1 0 359.404 1.000 10 5 FCBERO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCCC[NH+]1CCOCC1 ZINC000269148782 488474189 /nfs/dbraw/zinc/47/41/89/488474189.db2.gz KUWTYWLXUVFIOK-UHFFFAOYSA-N 1 0 358.420 0.767 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247462613 488486670 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0 370.431 0.474 10 5 FCBERO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000174781048 488851197 /nfs/dbraw/zinc/85/11/97/488851197.db2.gz QYWLUBRVXYWXLN-UKRRQHHQSA-N 1 0 361.406 0.543 10 5 FCBERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000174770664 488851263 /nfs/dbraw/zinc/85/12/63/488851263.db2.gz ADERKISSPOVMFV-JSGCOSHPSA-N 1 0 350.379 0.798 10 5 FCBERO CNC(=O)CN1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363133103 489428418 /nfs/dbraw/zinc/42/84/18/489428418.db2.gz MLBMQBTZEBKEGQ-UHFFFAOYSA-N 1 0 363.418 0.677 10 5 FCBERO O=C1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1cccnc1 ZINC000563617826 491258660 /nfs/dbraw/zinc/25/86/60/491258660.db2.gz HLSKTNONQYEIPY-LSDHHAIUSA-N 1 0 360.374 0.332 10 5 FCBERO O=[N+]([O-])c1cnc2ccc(N3CCC(O)(C[NH+]4CCOCC4)CC3)nn21 ZINC000371811001 489511742 /nfs/dbraw/zinc/51/17/42/489511742.db2.gz TYKZHBYJEYYXDS-UHFFFAOYSA-N 1 0 362.390 0.301 10 5 FCBERO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451673281 489517158 /nfs/dbraw/zinc/51/71/58/489517158.db2.gz VDMVSMMGRBGLCA-OAHLLOKOSA-N 1 0 371.459 0.904 10 5 FCBERO Cc1nn(CCC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000416302739 489580941 /nfs/dbraw/zinc/58/09/41/489580941.db2.gz WYNDDJZCGVHAFH-VXGBXAGGSA-N 1 0 353.423 0.712 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000416407278 489589922 /nfs/dbraw/zinc/58/99/22/489589922.db2.gz JIUAFOFSILWMRQ-SNVBAGLBSA-N 1 0 359.404 1.000 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000427455604 489609193 /nfs/dbraw/zinc/60/91/93/489609193.db2.gz CXACSCWOBGAERL-LLVKDONJSA-N 1 0 352.395 0.128 10 5 FCBERO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428950304 489668222 /nfs/dbraw/zinc/66/82/22/489668222.db2.gz DQSWTSXVNAGJHF-KRWDZBQOSA-N 1 0 374.401 0.282 10 5 FCBERO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000563960266 491279830 /nfs/dbraw/zinc/27/98/30/491279830.db2.gz ROLNDIQHJMUKHZ-KOLCDFICSA-N 1 0 372.328 0.906 10 5 FCBERO CN1CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)([NH+]2CCCCC2)CC1 ZINC000460481928 489867727 /nfs/dbraw/zinc/86/77/27/489867727.db2.gz WRWIAGYKHWYVDG-UHFFFAOYSA-N 1 0 365.438 0.253 10 5 FCBERO CC(C)[NH+]1CCC(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC000433546668 489891163 /nfs/dbraw/zinc/89/11/63/489891163.db2.gz CSTNEWLEXLCDKU-UHFFFAOYSA-N 1 0 365.438 0.203 10 5 FCBERO CNC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000420977319 490038306 /nfs/dbraw/zinc/03/83/06/490038306.db2.gz QKUCCZUEWHQCJG-NSHDSACASA-N 1 0 350.375 1.000 10 5 FCBERO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000421989830 490123135 /nfs/dbraw/zinc/12/31/35/490123135.db2.gz NUBQCSFWEUFYCS-AWEZNQCLSA-N 1 0 370.431 0.426 10 5 FCBERO CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000520318341 490131701 /nfs/dbraw/zinc/13/17/01/490131701.db2.gz KCFFYHWKZPMWAK-GFCCVEGCSA-N 1 0 372.381 0.886 10 5 FCBERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000497857479 490223623 /nfs/dbraw/zinc/22/36/23/490223623.db2.gz CZSRTIBHRPOFOR-NSHDSACASA-N 1 0 352.395 0.001 10 5 FCBERO C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000564957528 491340710 /nfs/dbraw/zinc/34/07/10/491340710.db2.gz SHUSIKFFOKPABW-WDMOLILDSA-N 1 0 370.431 0.600 10 5 FCBERO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000502958106 490732449 /nfs/dbraw/zinc/73/24/49/490732449.db2.gz VLTLGWDMZFOHDR-ZBEGNZNMSA-N 1 0 368.390 0.221 10 5 FCBERO C[NH+]1CCN(Cc2ccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000513532549 490737681 /nfs/dbraw/zinc/73/76/81/490737681.db2.gz DWDDPYOEZOGQDD-UHFFFAOYSA-N 1 0 373.417 0.250 10 5 FCBERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000514085861 490762301 /nfs/dbraw/zinc/76/23/01/490762301.db2.gz ZMHQVFNLJJUJMW-QWHCGFSZSA-N 1 0 369.447 0.758 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000515673263 490835408 /nfs/dbraw/zinc/83/54/08/490835408.db2.gz RZUUYPNPZJCQCO-UHFFFAOYSA-N 1 0 364.406 0.524 10 5 FCBERO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000542170661 490888101 /nfs/dbraw/zinc/88/81/01/490888101.db2.gz UOYGSYZGEAGXSL-CQSZACIVSA-N 1 0 363.418 0.607 10 5 FCBERO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cn1 ZINC000532398485 490992291 /nfs/dbraw/zinc/99/22/91/490992291.db2.gz VBFILVUOLNYHQD-UHFFFAOYSA-N 1 0 361.362 0.116 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567470189 491508200 /nfs/dbraw/zinc/50/82/00/491508200.db2.gz SZPRRBSLZFUGCQ-UHFFFAOYSA-N 1 0 350.423 0.432 10 5 FCBERO CC[NH+]1CCN([C@H](C)CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000577847915 491656597 /nfs/dbraw/zinc/65/65/97/491656597.db2.gz OHATUSPHGBUZBT-CYBMUJFWSA-N 1 0 365.434 1.523 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000578865819 491686024 /nfs/dbraw/zinc/68/60/24/491686024.db2.gz AKKVEJIAWOGSJE-JTQLQIEISA-N 1 0 357.388 0.741 10 5 FCBERO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000580191466 491720962 /nfs/dbraw/zinc/72/09/62/491720962.db2.gz GIFLIBMAODHHIV-GARJFASQSA-N 1 0 370.431 0.987 10 5 FCBERO CN1CCC(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)([NH+]2CCCCC2)CC1 ZINC000586789132 491732606 /nfs/dbraw/zinc/73/26/06/491732606.db2.gz DNJFOXREYQCXLO-UHFFFAOYSA-N 1 0 350.423 0.998 10 5 FCBERO O=C([C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000581185954 491762845 /nfs/dbraw/zinc/76/28/45/491762845.db2.gz DVNXZAPWHJGULB-IJEWVQPXSA-N 1 0 365.434 0.923 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590442904 491776637 /nfs/dbraw/zinc/77/66/37/491776637.db2.gz HZBWCXPRYVIEKN-FRRDWIJNSA-N 1 0 350.423 0.990 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581532947 491776681 /nfs/dbraw/zinc/77/66/81/491776681.db2.gz UWLZSBFOYGTBHU-VXGBXAGGSA-N 1 0 360.370 0.388 10 5 FCBERO Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444249 491776868 /nfs/dbraw/zinc/77/68/68/491776868.db2.gz NCXPAYUAGOIACZ-YGRLFVJLSA-N 1 0 368.415 0.327 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445051 491777130 /nfs/dbraw/zinc/77/71/30/491777130.db2.gz PXDQOUJUXODDOP-CMPLNLGQSA-N 1 0 354.388 0.018 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000590537677 491778399 /nfs/dbraw/zinc/77/83/99/491778399.db2.gz HIKOXWGBMQMNEP-QGZVFWFLSA-N 1 0 374.401 0.704 10 5 FCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000591452056 491806256 /nfs/dbraw/zinc/80/62/56/491806256.db2.gz MPNBCFVHLZSVIP-OCCSQVGLSA-N 1 0 367.427 0.984 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)n1 ZINC000591986361 491826871 /nfs/dbraw/zinc/82/68/71/491826871.db2.gz UWSWIUYRQWNDMP-JTQLQIEISA-N 1 0 351.363 0.333 10 5 FCBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@]1(OCCO)CCOC1)OCCO2 ZINC000594974888 491874117 /nfs/dbraw/zinc/87/41/17/491874117.db2.gz MWGGMNLEWIGKGB-MRXNPFEDSA-N 1 0 354.359 0.624 10 5 FCBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000601184784 491898790 /nfs/dbraw/zinc/89/87/90/491898790.db2.gz OCPUFLXQSQHTCR-UHFFFAOYSA-N 1 0 364.328 0.557 10 5 FCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595384746 491926874 /nfs/dbraw/zinc/92/68/74/491926874.db2.gz MEJNLOFWUFWDMQ-LBPRGKRZSA-N 1 0 356.404 0.210 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCO1 ZINC000595403729 491928924 /nfs/dbraw/zinc/92/89/24/491928924.db2.gz HMEDLLYYZLUQEE-ZDUSSCGKSA-N 1 0 358.420 0.721 10 5 FCBERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595664701 491947492 /nfs/dbraw/zinc/94/74/92/491947492.db2.gz UIZIREBXSWEZLL-SMDDNHRTSA-N 1 0 365.342 0.813 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862815 491957333 /nfs/dbraw/zinc/95/73/33/491957333.db2.gz HCUSEIRCTITRJU-HZPDHXFCSA-N 1 0 365.430 0.866 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595869045 491958113 /nfs/dbraw/zinc/95/81/13/491958113.db2.gz TUDPQMPNKZLFJH-DLBZAZTESA-N 1 0 365.430 0.866 10 5 FCBERO CC[C@H]([NH2+]C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595931074 491962245 /nfs/dbraw/zinc/96/22/45/491962245.db2.gz UYQPZTLDEUONHL-AWEZNQCLSA-N 1 0 370.431 0.426 10 5 FCBERO NC(=O)c1ccc(SCC(=O)N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])c1 ZINC000595965281 491966144 /nfs/dbraw/zinc/96/61/44/491966144.db2.gz BECUYWDZOVYNAJ-UHFFFAOYSA-N 1 0 350.400 0.736 10 5 FCBERO CN(CCC[NH+](C)C)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596424281 491985257 /nfs/dbraw/zinc/98/52/57/491985257.db2.gz FYPIOPQGEPNXRC-UHFFFAOYSA-N 1 0 359.452 0.538 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000596506680 491987826 /nfs/dbraw/zinc/98/78/26/491987826.db2.gz RQZGGYCCIFRLNY-AWEZNQCLSA-N 1 0 354.411 0.544 10 5 FCBERO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])cc1F ZINC000597627463 492052915 /nfs/dbraw/zinc/05/29/15/492052915.db2.gz UPROZRQAPTYNFC-LLVKDONJSA-N 1 0 352.366 0.862 10 5 FCBERO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000597989991 492076637 /nfs/dbraw/zinc/07/66/37/492076637.db2.gz JBVQUMIGUAYUBD-AWEZNQCLSA-N 1 0 359.386 0.825 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000598163489 492087036 /nfs/dbraw/zinc/08/70/36/492087036.db2.gz PUAAKYDGWAPLFJ-UHFFFAOYSA-N 1 0 370.431 0.283 10 5 FCBERO CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536173 492103711 /nfs/dbraw/zinc/10/37/11/492103711.db2.gz NPRPQFMXHFVLQL-WCQYABFASA-N 1 0 364.402 0.932 10 5 FCBERO CC[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000598536570 492103897 /nfs/dbraw/zinc/10/38/97/492103897.db2.gz SKYNGIBBNZYJJR-NWDGAFQWSA-N 1 0 362.386 0.919 10 5 FCBERO CC[NH+](CC)CC[C@H](CO)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598623891 492109775 /nfs/dbraw/zinc/10/97/75/492109775.db2.gz DFXNDHOLVNHJNC-CYBMUJFWSA-N 1 0 368.438 0.726 10 5 FCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000599111329 492136796 /nfs/dbraw/zinc/13/67/96/492136796.db2.gz HLZQRQGEUZWYER-LLVKDONJSA-N 1 0 352.376 0.199 10 5 FCBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212295 492143033 /nfs/dbraw/zinc/14/30/33/492143033.db2.gz CJVOUSYQARCDDR-TXEJJXNPSA-N 1 0 359.452 0.975 10 5 FCBERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256073 492149780 /nfs/dbraw/zinc/14/97/80/492149780.db2.gz RCEVCAKECDVBGM-GRYCIOLGSA-N 1 0 359.452 0.973 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000599938218 492219310 /nfs/dbraw/zinc/21/93/10/492219310.db2.gz JZGXIXGNMZHPCH-WDEREUQCSA-N 1 0 367.431 0.874 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599942948 492219644 /nfs/dbraw/zinc/21/96/44/492219644.db2.gz ZUNLGKCSWASFGP-JOYOIKCWSA-N 1 0 354.794 0.774 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000618923752 492243656 /nfs/dbraw/zinc/24/36/56/492243656.db2.gz KYRGZCPGXPZUGY-KRWDZBQOSA-N 1 0 364.402 0.240 10 5 FCBERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000173452574 529229068 /nfs/dbraw/zinc/22/90/68/529229068.db2.gz GESRPKQJTWZFNW-MRXNPFEDSA-N 1 0 350.419 0.946 10 5 FCBERO COc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000592871474 546958759 /nfs/dbraw/zinc/95/87/59/546958759.db2.gz IVHVNXFOZTUODF-LLVKDONJSA-N 1 0 350.375 0.795 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000592878531 546960271 /nfs/dbraw/zinc/96/02/71/546960271.db2.gz FJUBIKJETQFDHF-GFCCVEGCSA-N 1 0 350.375 0.552 10 5 FCBERO COc1cccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593235330 546964806 /nfs/dbraw/zinc/96/48/06/546964806.db2.gz NVHAPQSEIVSNRJ-UHFFFAOYSA-N 1 0 350.375 0.449 10 5 FCBERO Cc1cc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593620750 546984744 /nfs/dbraw/zinc/98/47/44/546984744.db2.gz GCIFHGMDQKPWPB-UHFFFAOYSA-N 1 0 370.431 0.298 10 5 FCBERO COCC[NH2+]C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000593728782 546990551 /nfs/dbraw/zinc/99/05/51/546990551.db2.gz DXRYOWYDJBBMBJ-UHFFFAOYSA-N 1 0 373.431 0.993 10 5 FCBERO [NH3+]C[C@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000594525653 547000568 /nfs/dbraw/zinc/00/05/68/547000568.db2.gz SSJKGJTUWXYDMW-JTQLQIEISA-N 1 0 362.312 0.711 10 5 FCBERO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262595641 665184297 /nfs/dbraw/zinc/18/42/97/665184297.db2.gz UOEONTLRWDFHDI-BXUZGUMPSA-N 1 0 370.431 0.507 10 5 FCBERO C[NH+](C)C1CC(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000773489349 668094126 /nfs/dbraw/zinc/09/41/26/668094126.db2.gz VGNDAEWPKBSRLI-UHFFFAOYSA-N 1 0 352.416 0.995 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819289669 668994828 /nfs/dbraw/zinc/99/48/28/668994828.db2.gz NVJXNEKZKPSZPZ-AEGPPILISA-N 1 0 357.432 0.936 10 5 FCBERO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844748484 670939963 /nfs/dbraw/zinc/93/99/63/670939963.db2.gz TTZKERNAJJPKGL-XZWGEAOUSA-N 1 0 351.384 0.695 10 5 FCBERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cn3nccc3[N+](=O)[O-])CC2)C1 ZINC000117325763 671877432 /nfs/dbraw/zinc/87/74/32/671877432.db2.gz AQWNBGKHWHZJIZ-HNNXBMFYSA-N 1 0 352.439 0.476 10 5 FCBERO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)C3(O)CCOCC3)CC2)c1 ZINC000929269380 673947090 /nfs/dbraw/zinc/94/70/90/673947090.db2.gz JRVBMSDGXRFGBA-INIZCTEOSA-N 1 0 351.403 0.619 10 5 FCBERO CN(CC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696829 1170089686 /nfs/dbraw/zinc/08/96/86/1170089686.db2.gz UACTZLAHZMJRDA-GDBMZVCRSA-N 1 0 360.414 0.809 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N(C1CC1)C1CCCC1 ZINC001670780976 1186292715 /nfs/dbraw/zinc/29/27/15/1186292715.db2.gz BJMCKYFXKJPNFT-HUUCEWRRSA-N 1 0 364.446 0.824 10 5 FCBERO C[NH+]1CCC(CC(=O)NCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 ZINC001745513177 1186626803 /nfs/dbraw/zinc/62/68/03/1186626803.db2.gz ANSFUGZRDHRLHF-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NCC(F)(F)F ZINC001481896225 1187545966 /nfs/dbraw/zinc/54/59/66/1187545966.db2.gz IEWSTVNDCNSBQA-NXEZZACHSA-N 1 0 366.340 0.349 10 5 FCBERO CC1CCN(C(=O)C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001269545638 1187856075 /nfs/dbraw/zinc/85/60/75/1187856075.db2.gz XLDFWJWTFBNDGH-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO C[NH+](C)CCN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593053091 1193765233 /nfs/dbraw/zinc/76/52/33/1193765233.db2.gz WVRAVUPOUPHYAQ-UHFFFAOYSA-N 1 0 363.418 0.629 10 5 FCBERO C[NH+](C)CCN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1=O ZINC000593052049 1196606169 /nfs/dbraw/zinc/60/61/69/1196606169.db2.gz WHXXECXINNTTSV-UHFFFAOYSA-N 1 0 364.402 0.667 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592880186 1196740463 /nfs/dbraw/zinc/74/04/63/1196740463.db2.gz PDWFEUIILRDIOD-JTQLQIEISA-N 1 0 364.358 0.516 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1=O ZINC000593234786 1196764947 /nfs/dbraw/zinc/76/49/47/1196764947.db2.gz KJCZYBDPJVRKNE-UHFFFAOYSA-N 1 0 364.358 0.170 10 5 FCBERO COC(=O)c1cc(N2CCN(CC[NH+](C)C)C(=O)C2)cc(C)c1[N+](=O)[O-] ZINC000593486421 1196790760 /nfs/dbraw/zinc/79/07/60/1196790760.db2.gz WUYNXRSSBSVDKZ-UHFFFAOYSA-N 1 0 364.402 0.900 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000594106242 1196860020 /nfs/dbraw/zinc/86/00/20/1196860020.db2.gz RJBHHROVIWDMFL-PHIMTYICSA-N 1 0 360.370 0.647 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001170468530 1201457790 /nfs/dbraw/zinc/45/77/90/1201457790.db2.gz DPVMHDIWVUGJDI-PHIMTYICSA-N 1 0 362.342 0.136 10 5 FCBERO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC001148307207 1204826778 /nfs/dbraw/zinc/82/67/78/1204826778.db2.gz JNWDZKYLONWGAS-HNNXBMFYSA-N 1 0 361.402 0.701 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001180913959 1206401698 /nfs/dbraw/zinc/40/16/98/1206401698.db2.gz LSQYJBBMSDZFKO-UHFFFAOYSA-N 1 0 357.370 0.937 10 5 FCBERO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC001196782799 1208106549 /nfs/dbraw/zinc/10/65/49/1208106549.db2.gz UZEJABXVEAYXTI-CQSZACIVSA-N 1 0 374.401 0.384 10 5 FCBERO C[NH+](C)CCCCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001488827704 1208551562 /nfs/dbraw/zinc/55/15/62/1208551562.db2.gz MJTOVTZANHMETB-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851691925 1209516122 /nfs/dbraw/zinc/51/61/22/1209516122.db2.gz SWVYIOWLNQLQLI-UHFFFAOYSA-N 1 0 373.413 0.112 10 5 FCBERO CC(C)n1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)nn1 ZINC001273968297 1209944083 /nfs/dbraw/zinc/94/40/83/1209944083.db2.gz HJFSIYKQZJINCN-ZIAGYGMSSA-N 1 0 366.422 0.279 10 5 FCBERO COC(=O)Cc1ccc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000826685516 1210971230 /nfs/dbraw/zinc/97/12/30/1210971230.db2.gz KQCTXAPNBXKZGP-LBPRGKRZSA-N 1 0 364.402 0.867 10 5 FCBERO CCn1cc(CC[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001274910260 1211142882 /nfs/dbraw/zinc/14/28/82/1211142882.db2.gz GXZWHQQYLVSYEA-HUUCEWRRSA-N 1 0 365.434 0.054 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001141824650 1222779873 /nfs/dbraw/zinc/77/98/73/1222779873.db2.gz KAMKDLKEZYFKRW-UHFFFAOYSA-N 1 0 371.397 0.932 10 5 FCBERO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000843086981 1222858934 /nfs/dbraw/zinc/85/89/34/1222858934.db2.gz IHIIVHPIUUVQIQ-WNMQOVRZSA-N 1 0 364.358 0.593 10 5 FCBERO O=C(c1ccn2c[nH+]cc2c1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941011568 1246429382 /nfs/dbraw/zinc/42/93/82/1246429382.db2.gz FNCHYBFVCRBTDM-HUUCEWRRSA-N 1 0 357.370 0.674 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001331736865 1266275884 /nfs/dbraw/zinc/27/58/84/1266275884.db2.gz ALGAAUZSBKBLAN-ZDUSSCGKSA-N 1 0 366.418 0.775 10 5 FCBERO C[NH+](C)CCn1cc(NC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001261508613 1260152306 /nfs/dbraw/zinc/15/23/06/1260152306.db2.gz QZYAVFKUAQGVQL-UHFFFAOYSA-N 1 0 372.385 0.834 10 5 FCBERO CCc1onc(C)c1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281614118 1261124433 /nfs/dbraw/zinc/12/44/33/1261124433.db2.gz VBDZUKMDFGROCS-TZMCWYRMSA-N 1 0 366.418 0.654 10 5 FCBERO O=C(NC1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001285964719 1261898029 /nfs/dbraw/zinc/89/80/29/1261898029.db2.gz AWIRVOCAILDUNH-HUUCEWRRSA-N 1 0 364.446 0.539 10 5 FCBERO CCC(C)(C)NC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485756424 1263514497 /nfs/dbraw/zinc/51/44/97/1263514497.db2.gz DOSCGYLOWOEZAU-ZIAGYGMSSA-N 1 0 354.451 0.879 10 5 FCBERO CCCCNC(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001486488926 1263540910 /nfs/dbraw/zinc/54/09/10/1263540910.db2.gz TYLVGZBWKVQOEU-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO CCN(C(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)C1CC1 ZINC001506861901 1264343762 /nfs/dbraw/zinc/34/37/62/1264343762.db2.gz GAPPNHSBHNDRFD-HUUCEWRRSA-N 1 0 364.446 0.587 10 5 FCBERO O=C(NCCN1CCC([NH2+]Cc2cncc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001325793601 1264996068 /nfs/dbraw/zinc/99/60/68/1264996068.db2.gz DKHAGUBWHWKDMC-HZPDHXFCSA-N 1 0 365.409 0.556 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001526057327 1266780723 /nfs/dbraw/zinc/78/07/23/1266780723.db2.gz HXNWZZPFIRXDCN-CABCVRRESA-N 1 0 356.386 0.919 10 5 FCBERO NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)CC1 ZINC001536257366 1267321972 /nfs/dbraw/zinc/32/19/72/1267321972.db2.gz OLXJEOFMYWZDMM-HZPDHXFCSA-N 1 0 360.414 0.665 10 5 FCBERO CNS(=O)(=O)c1ccc(N2CC([NH2+][C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001559290494 1269165902 /nfs/dbraw/zinc/16/59/02/1269165902.db2.gz PPKLKINGLFCFPR-SNVBAGLBSA-N 1 0 356.404 0.070 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001560060277 1269184562 /nfs/dbraw/zinc/18/45/62/1269184562.db2.gz JFFQNDNZQSVJFO-CALCHBBNSA-N 1 0 360.370 0.826 10 5 FCBERO C[C@@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001566166383 1269618185 /nfs/dbraw/zinc/61/81/85/1269618185.db2.gz FKEODUSELJXVDC-KOLCDFICSA-N 1 0 356.404 0.455 10 5 FCBERO CC(C)CNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567746586 1269704702 /nfs/dbraw/zinc/70/47/02/1269704702.db2.gz IKAGUISWNQUMPD-HUUCEWRRSA-N 1 0 354.451 0.594 10 5 FCBERO Cc1ccc(CNC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001569400750 1269781457 /nfs/dbraw/zinc/78/14/57/1269781457.db2.gz XBXJDWLFHUXZEW-CHWSQXEVSA-N 1 0 366.443 0.576 10 5 FCBERO CCC1([NH2+]CCCS(C)(=O)=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570255269 1269856861 /nfs/dbraw/zinc/85/68/61/1269856861.db2.gz XFPIVMAAWNCGIP-CHWSQXEVSA-N 1 0 361.464 0.447 10 5 FCBERO C[N@H+](CC(=O)NCc1ccco1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001571330334 1269927493 /nfs/dbraw/zinc/92/74/93/1269927493.db2.gz HMUBXZDDEKMPKS-HUUCEWRRSA-N 1 0 364.402 0.484 10 5 FCBERO CCC[N@H+](C)CC(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001572569357 1270096756 /nfs/dbraw/zinc/09/67/56/1270096756.db2.gz OJKBHMVNKYBPGT-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)N1CCCCC1 ZINC001715095343 1287345058 /nfs/dbraw/zinc/34/50/58/1287345058.db2.gz QHGZBNNXBZDWEO-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(=O)N1CCCC1 ZINC001715470452 1287351778 /nfs/dbraw/zinc/35/17/78/1287351778.db2.gz OUMRVCDEJAEVRY-HZPDHXFCSA-N 1 0 366.462 0.835 10 5 FCBERO O=C(C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCC1 ZINC001717005239 1287400753 /nfs/dbraw/zinc/40/07/53/1287400753.db2.gz RNOVPUILVPFOCT-HZPDHXFCSA-N 1 0 360.414 0.502 10 5 FCBERO Cc1nc(CC[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001717350702 1287419966 /nfs/dbraw/zinc/41/99/66/1287419966.db2.gz OBWOKKHSUCDWAF-ZIAGYGMSSA-N 1 0 368.459 0.602 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001717318814 1287418110 /nfs/dbraw/zinc/41/81/10/1287418110.db2.gz KGAJWLLAZICNMT-UKRRQHHQSA-N 1 0 364.402 0.660 10 5 FCBERO CN(CC(C)(C)CNC(=O)C1([NH+](C)C)CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001718124292 1287461047 /nfs/dbraw/zinc/46/10/47/1287461047.db2.gz IHDVOIDMJSUZLZ-CHWSQXEVSA-N 1 0 354.451 0.737 10 5 FCBERO CCO[C@@H](CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C[NH+](C)C ZINC001584104374 1282135338 /nfs/dbraw/zinc/13/53/38/1282135338.db2.gz HAPYYIAQVWTPJQ-LBPRGKRZSA-N 1 0 366.374 0.586 10 5 FCBERO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001633492936 1282247604 /nfs/dbraw/zinc/24/76/04/1282247604.db2.gz GVCZBZTXGRZTQX-LLVKDONJSA-N 1 0 358.354 0.497 10 5 FCBERO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001634229526 1282311813 /nfs/dbraw/zinc/31/18/13/1282311813.db2.gz MMTFFRUURXZFQZ-HZPDHXFCSA-N 1 0 366.462 0.833 10 5 FCBERO C[NH+]1CCC(ONC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001635333750 1282397267 /nfs/dbraw/zinc/39/72/67/1282397267.db2.gz LYCWGRBHPXLZHV-UHFFFAOYSA-N 1 0 360.374 0.990 10 5 FCBERO CN1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[N@H+](C)CC1 ZINC001635906639 1282441205 /nfs/dbraw/zinc/44/12/05/1282441205.db2.gz IMJUWBISSLURHV-UHFFFAOYSA-N 1 0 373.417 0.495 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001636277789 1282479059 /nfs/dbraw/zinc/47/90/59/1282479059.db2.gz BWBIYXWFJLUMII-QGZVFWFLSA-N 1 0 359.386 0.919 10 5 FCBERO O=C(CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001640694415 1282890468 /nfs/dbraw/zinc/89/04/68/1282890468.db2.gz CKHWAJDUKVAFEY-UHFFFAOYSA-N 1 0 366.393 0.995 10 5 FCBERO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001593721542 1286213021 /nfs/dbraw/zinc/21/30/21/1286213021.db2.gz NAXNWSSFRWNVIU-WDEREUQCSA-N 1 0 363.399 0.881 10 5 FCBERO O=C(NCCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001721555724 1288350349 /nfs/dbraw/zinc/35/03/49/1288350349.db2.gz MYCVGSBBCYEODZ-HUUCEWRRSA-N 1 0 364.446 0.492 10 5 FCBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001724285215 1288434861 /nfs/dbraw/zinc/43/48/61/1288434861.db2.gz HAHMJXAUTCQCRO-HUUCEWRRSA-N 1 0 366.462 0.882 10 5 FCBERO O=C(NC[C@H]1CC[C@H](C[NH2+]CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724608474 1288446802 /nfs/dbraw/zinc/44/68/02/1288446802.db2.gz VHTIEHXJVDCVFB-KBUPBQIOSA-N 1 0 367.450 0.189 10 5 FCBERO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001732306916 1288580890 /nfs/dbraw/zinc/58/08/90/1288580890.db2.gz KZJKGKPUZYXSNG-DDHJBXDOSA-N 1 0 351.363 0.295 10 5 FCBERO CCN(C(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001732322000 1288580932 /nfs/dbraw/zinc/58/09/32/1288580932.db2.gz VNEGRXNLMKSANR-HZPDHXFCSA-N 1 0 366.462 0.881 10 5 FCBERO Cc1ncc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001733579028 1288619079 /nfs/dbraw/zinc/61/90/79/1288619079.db2.gz LBPXOVPEAGFVSC-HUUCEWRRSA-N 1 0 367.475 0.787 10 5 FCBERO CN(CC(C)(C)C[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734017155 1288637858 /nfs/dbraw/zinc/63/78/58/1288637858.db2.gz BYYFTIHNIQWYTP-ZIAGYGMSSA-N 1 0 350.419 0.625 10 5 FCBERO C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001612950791 1289706316 /nfs/dbraw/zinc/70/63/16/1289706316.db2.gz WOIDVXWUFXPZHN-HZMBPMFUSA-N 1 0 357.436 0.288 10 5 FCBERO C[NH+](C)CC1(C(=O)NCCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001739298010 1289837352 /nfs/dbraw/zinc/83/73/52/1289837352.db2.gz VSLFHWVBGUKTEA-HUUCEWRRSA-N 1 0 364.446 0.658 10 5 FCBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001618273185 1289896080 /nfs/dbraw/zinc/89/60/80/1289896080.db2.gz IBYRERNRUNJVIF-JQWIXIFHSA-N 1 0 370.431 0.797 10 5 FCBERO CN1C(=O)[C@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1=O ZINC001620506371 1289993486 /nfs/dbraw/zinc/99/34/86/1289993486.db2.gz BFSOVMJJCCCTLN-HZSPNIEDSA-N 1 0 358.354 0.247 10 5 FCBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001627775785 1290484556 /nfs/dbraw/zinc/48/45/56/1290484556.db2.gz HGQDKGHSFCMWNX-LBPRGKRZSA-N 1 0 370.431 0.846 10 5 FCBERO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(C)[C@H](C)C1 ZINC001629046130 1290573184 /nfs/dbraw/zinc/57/31/84/1290573184.db2.gz NCRQBOPZGICFKR-LLVKDONJSA-N 1 0 351.359 0.957 10 5 FCBERO CN1CC[NH+](CCCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001629746747 1290622430 /nfs/dbraw/zinc/62/24/30/1290622430.db2.gz SULDRGWCAQTDGT-INIZCTEOSA-N 1 0 350.419 0.772 10 5 FCBERO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001643547406 1290904424 /nfs/dbraw/zinc/90/44/24/1290904424.db2.gz GGYMEJMLAYVKHW-CYBMUJFWSA-N 1 0 351.407 0.449 10 5 FCBERO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC001643547407 1290904513 /nfs/dbraw/zinc/90/45/13/1290904513.db2.gz GGYMEJMLAYVKHW-ZDUSSCGKSA-N 1 0 351.407 0.449 10 5 FCBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001644116278 1290940630 /nfs/dbraw/zinc/94/06/30/1290940630.db2.gz KRSBHUPGMPFJQA-YKJXYISPSA-N 1 0 360.370 0.906 10 5 FCBERO COC(=O)c1cc(C(=O)NCCN(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001645219353 1291009918 /nfs/dbraw/zinc/00/99/18/1291009918.db2.gz PSQNJAWNSHMEMJ-UHFFFAOYSA-N 1 0 366.418 0.995 10 5 FCBERO COCC[N@H+](C)CCN1C[C@H](Nc2ncc([N+](=O)[O-])cc2C)CC1=O ZINC001651161187 1291199930 /nfs/dbraw/zinc/19/99/30/1291199930.db2.gz UCEOUJWKYUQKGN-CYBMUJFWSA-N 1 0 351.407 0.889 10 5 FCBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001654477862 1291412973 /nfs/dbraw/zinc/41/29/73/1291412973.db2.gz LHUUGCOROYSQPH-PZDALLCQSA-N 1 0 360.370 0.906 10 5 FCBERO O=C(NC/C=C\CNCc1cn(-c2ccccc2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668822335 1291975331 /nfs/dbraw/zinc/97/53/31/1291975331.db2.gz WXYOGZPTAIYGFT-KSLSASGISA-N 1 0 356.386 0.695 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1)N1CCCC1 ZINC001276200267 861351130 /nfs/dbraw/zinc/35/11/30/861351130.db2.gz MXDXRFXONKTOAD-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001135757256 849200862 /nfs/dbraw/zinc/20/08/62/849200862.db2.gz RJWKGQIIOKQYMB-UHFFFAOYSA-N 1 0 370.431 0.474 10 5 FCBERO COCC[N@H+](C)CCCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001136211111 849210764 /nfs/dbraw/zinc/21/07/64/849210764.db2.gz FIENBFZVOFSZBH-UHFFFAOYSA-N 1 0 373.431 0.696 10 5 FCBERO CS(=O)(=O)NC[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001175956304 850778854 /nfs/dbraw/zinc/77/88/54/850778854.db2.gz UFBWVDAAAGAGMJ-CHWSQXEVSA-N 1 0 373.431 0.206 10 5 FCBERO COC(=O)[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001176902479 850813987 /nfs/dbraw/zinc/81/39/87/850813987.db2.gz MJIOIFCSWDLDJC-HZSPNIEDSA-N 1 0 352.343 0.522 10 5 FCBERO Cc1cnc(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001279432008 862885496 /nfs/dbraw/zinc/88/54/96/862885496.db2.gz WBBACDQAXYEZMN-ZIAGYGMSSA-N 1 0 351.407 0.318 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001261819087 858675849 /nfs/dbraw/zinc/67/58/49/858675849.db2.gz PQBRNZNDVWBPOG-PWSUYJOCSA-N 1 0 350.375 0.476 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001261819085 858676073 /nfs/dbraw/zinc/67/60/73/858676073.db2.gz PQBRNZNDVWBPOG-CMPLNLGQSA-N 1 0 350.375 0.476 10 5 FCBERO Cc1nc(C)c(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001274515513 860767906 /nfs/dbraw/zinc/76/79/06/860767906.db2.gz IYSCWZDTWMENJU-CHWSQXEVSA-N 1 0 352.391 0.400 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001292988052 865767102 /nfs/dbraw/zinc/76/71/02/865767102.db2.gz UVYACYXVUNTRAC-AWEZNQCLSA-N 1 0 351.407 0.859 10 5 FCBERO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001296256886 865953680 /nfs/dbraw/zinc/95/36/80/865953680.db2.gz BWPJYUXUOIIHKF-JTQLQIEISA-N 1 0 368.415 0.622 10 5 FCBERO C[N@H+](CCCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC001299056049 866145016 /nfs/dbraw/zinc/14/50/16/866145016.db2.gz GRKDJVMFPZRSRO-UHFFFAOYSA-N 1 0 370.431 0.846 10 5 FCBERO CC(C)NC(=O)NCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001316930244 867512201 /nfs/dbraw/zinc/51/22/01/867512201.db2.gz BUKGHZQILCMKPQ-ZIAGYGMSSA-N 1 0 355.439 0.282 10 5 FCBERO CN(C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC001321058515 868355307 /nfs/dbraw/zinc/35/53/07/868355307.db2.gz YHCOBNLFLXAKAS-XEVLESSRSA-N 1 0 352.435 0.705 10 5 FCBERO COc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001322371901 868799103 /nfs/dbraw/zinc/79/91/03/868799103.db2.gz NGDMJDNMGUSANC-GFCCVEGCSA-N 1 0 350.375 0.430 10 5 FCBERO CN(CCC[NH2+]CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322504916 868838206 /nfs/dbraw/zinc/83/82/06/868838206.db2.gz DRWAOQVOYMFHPZ-ZIAGYGMSSA-N 1 0 352.366 0.868 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001329823446 872287079 /nfs/dbraw/zinc/28/70/79/872287079.db2.gz WPTIKYSWOXWZFU-VXGBXAGGSA-N 1 0 354.338 0.117 10 5 FCBERO C[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265375660 210112003 /nfs/dbraw/zinc/11/20/03/210112003.db2.gz PHUGFXSQXJHDRE-LBPRGKRZSA-N 1 0 356.404 0.084 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000265334957 210099280 /nfs/dbraw/zinc/09/92/80/210099280.db2.gz WUTMPVVDKQCSNN-LBPRGKRZSA-N 1 0 370.431 0.855 10 5 FCBERO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000183682350 209151641 /nfs/dbraw/zinc/15/16/41/209151641.db2.gz HYQOJOQWNLSZQI-MRXNPFEDSA-N 1 0 371.459 0.904 10 5 FCBERO CN1CCN([C@H]2CCCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000182907919 209139367 /nfs/dbraw/zinc/13/93/67/209139367.db2.gz GDVSPBWTZPAFJR-INIZCTEOSA-N 1 0 363.462 0.858 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000419326432 246099228 /nfs/dbraw/zinc/09/92/28/246099228.db2.gz CGIWJDCRCVTPSY-KFWWJZLASA-N 1 0 353.419 0.721 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419344323 246106512 /nfs/dbraw/zinc/10/65/12/246106512.db2.gz RXBKDVHWMYOBBM-UONOGXRCSA-N 1 0 350.419 0.945 10 5 FCBERO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000423579547 247059266 /nfs/dbraw/zinc/05/92/66/247059266.db2.gz ORDRKUNFFFBJHB-WBMJQRKESA-N 1 0 374.397 0.395 10 5 FCBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000423675464 247105170 /nfs/dbraw/zinc/10/51/70/247105170.db2.gz PMBIQDUKLAAWQZ-GWCFXTLKSA-N 1 0 356.404 0.163 10 5 FCBERO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000424170256 247173893 /nfs/dbraw/zinc/17/38/93/247173893.db2.gz KTNWJZCFFYOFKK-LBPRGKRZSA-N 1 0 357.374 0.704 10 5 FCBERO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2CC[C@H]2O)c([N+](=O)[O-])c1 ZINC000425273887 247313426 /nfs/dbraw/zinc/31/34/26/247313426.db2.gz KHAMFYRIMOJPKE-TZMCWYRMSA-N 1 0 358.420 0.370 10 5 FCBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000176884836 209012162 /nfs/dbraw/zinc/01/21/62/209012162.db2.gz BAKRIXOQMDOGFW-CYBMUJFWSA-N 1 0 353.423 0.733 10 5 FCBERO Cc1cc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000180077434 209090976 /nfs/dbraw/zinc/09/09/76/209090976.db2.gz HHLKSKWXDOPLIZ-LLVKDONJSA-N 1 0 361.395 0.993 10 5 FCBERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301923636 488885950 /nfs/dbraw/zinc/88/59/50/488885950.db2.gz GKHSQNRJDISEGB-GFCCVEGCSA-N 1 0 359.390 0.380 10 5 FCBERO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003660 488910178 /nfs/dbraw/zinc/91/01/78/488910178.db2.gz DCNFRXCARYJBHW-MEDUHNTESA-N 1 0 364.358 0.009 10 5 FCBERO CC[NH+]1CCN(c2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000048222936 488063474 /nfs/dbraw/zinc/06/34/74/488063474.db2.gz CRAVYHOSIVWVCM-UHFFFAOYSA-N 1 0 359.390 0.967 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000562979087 491204835 /nfs/dbraw/zinc/20/48/35/491204835.db2.gz FKSCRVDHFRMDOQ-NSHDSACASA-N 1 0 352.395 0.271 10 5 FCBERO COc1ccc(CSCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262057361 488548364 /nfs/dbraw/zinc/54/83/64/488548364.db2.gz AOYYOLAFKDMWNG-WCQYABFASA-N 1 0 355.416 0.533 10 5 FCBERO Cc1nn(Cc2ccc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc2)c(C)c1[N+](=O)[O-] ZINC000262069909 488549123 /nfs/dbraw/zinc/54/91/23/488549123.db2.gz BMSRXLFKYRIJLS-HZPDHXFCSA-N 1 0 373.413 0.767 10 5 FCBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272362087 488575597 /nfs/dbraw/zinc/57/55/97/488575597.db2.gz SFMOUTJMICXQFM-GFCCVEGCSA-N 1 0 351.359 0.900 10 5 FCBERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262755126 488590308 /nfs/dbraw/zinc/59/03/08/488590308.db2.gz HQNFHTIVWABKNQ-ZJUUUORDSA-N 1 0 357.388 0.642 10 5 FCBERO COCC[N@@H+]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000264552862 488684606 /nfs/dbraw/zinc/68/46/06/488684606.db2.gz ZCGXISUAEUMAAG-UHFFFAOYSA-N 1 0 374.401 0.970 10 5 FCBERO Cc1c(Br)c(NCC(=O)N2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000165810352 488811086 /nfs/dbraw/zinc/81/10/86/488811086.db2.gz FYLTXNADANPPRQ-UHFFFAOYSA-N 1 0 358.196 0.904 10 5 FCBERO CN1CCC(CNC(=O)Cn2cc([N+](=O)[O-])cn2)([NH+]2CCCCC2)CC1 ZINC000172754923 488837432 /nfs/dbraw/zinc/83/74/32/488837432.db2.gz LTNCPZVIFYSWPZ-UHFFFAOYSA-N 1 0 364.450 0.858 10 5 FCBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182017425 488864061 /nfs/dbraw/zinc/86/40/61/488864061.db2.gz CMQCBEYJIMTDNE-ZDUSSCGKSA-N 1 0 368.438 0.526 10 5 FCBERO CNC(=O)CN1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000365896855 489123624 /nfs/dbraw/zinc/12/36/24/489123624.db2.gz WZMWXGWNHQAVJU-UHFFFAOYSA-N 1 0 361.402 0.738 10 5 FCBERO CC[C@@H](Cn1cncn1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000570368803 491236511 /nfs/dbraw/zinc/23/65/11/491236511.db2.gz ATJWEFLHZNRIFF-LBPRGKRZSA-N 1 0 368.419 0.533 10 5 FCBERO Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000298224401 489306314 /nfs/dbraw/zinc/30/63/14/489306314.db2.gz KFLJYWFHYNLHPI-AWEZNQCLSA-N 1 0 366.418 0.538 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000371585874 489489450 /nfs/dbraw/zinc/48/94/50/489489450.db2.gz MSPLCAZBGRSRQY-HNNXBMFYSA-N 1 0 364.450 0.728 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000451674381 489517666 /nfs/dbraw/zinc/51/76/66/489517666.db2.gz YJIAMSBBZWFWNO-AWEZNQCLSA-N 1 0 357.432 0.861 10 5 FCBERO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000452057442 489541817 /nfs/dbraw/zinc/54/18/17/489541817.db2.gz LLZFCELVBDDIHE-CQSZACIVSA-N 1 0 362.390 0.378 10 5 FCBERO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000415759941 489550825 /nfs/dbraw/zinc/55/08/25/489550825.db2.gz RLKJYGCGFPFEAM-TXEJJXNPSA-N 1 0 362.386 1.000 10 5 FCBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415902390 489564710 /nfs/dbraw/zinc/56/47/10/489564710.db2.gz YGICXYDHENLTLB-UHFFFAOYSA-N 1 0 354.750 0.388 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420457754 489980577 /nfs/dbraw/zinc/98/05/77/489980577.db2.gz JGZVICFYCUXGLH-MEBBXXQBSA-N 1 0 371.415 0.987 10 5 FCBERO CC(C)NC(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420996304 490041370 /nfs/dbraw/zinc/04/13/70/490041370.db2.gz AOLHWXHVYVHDDI-UHFFFAOYSA-N 1 0 372.447 0.720 10 5 FCBERO CCO[C@@H]1CN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405613015 490182308 /nfs/dbraw/zinc/18/23/08/490182308.db2.gz SWKJMPXIZPGOKJ-QMTHXVAHSA-N 1 0 359.404 0.588 10 5 FCBERO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000408027742 490214695 /nfs/dbraw/zinc/21/46/95/490214695.db2.gz MGDRZSHVGQGAFI-HUUCEWRRSA-N 1 0 355.416 0.830 10 5 FCBERO C[N@@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498636438 490320563 /nfs/dbraw/zinc/32/05/63/490320563.db2.gz UWEFYAOHVBXRQQ-ZDUSSCGKSA-N 1 0 370.431 0.474 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000571670814 491322012 /nfs/dbraw/zinc/32/20/12/491322012.db2.gz QULDKLBUNWJQHG-JTQLQIEISA-N 1 0 364.328 0.377 10 5 FCBERO O=C(CC[NH2+][C@@H](CO)CN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000516927674 490885229 /nfs/dbraw/zinc/88/52/29/490885229.db2.gz VHWOEUXUAAMZLM-CYBMUJFWSA-N 1 0 352.391 0.206 10 5 FCBERO CN(CCC[NH+](C)C)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544695504 490977186 /nfs/dbraw/zinc/97/71/86/490977186.db2.gz LMLXWPMSBBCTMO-UHFFFAOYSA-N 1 0 372.447 0.962 10 5 FCBERO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000566562839 491453632 /nfs/dbraw/zinc/45/36/32/491453632.db2.gz ZYYPNEGNBXBQBB-GFCCVEGCSA-N 1 0 357.374 0.532 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000575134862 491541108 /nfs/dbraw/zinc/54/11/08/491541108.db2.gz KCSONDLXKIAHFV-ZDUSSCGKSA-N 1 0 362.434 0.814 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000575749009 491558152 /nfs/dbraw/zinc/55/81/52/491558152.db2.gz KVUVFHMFXGCJIF-HZPDHXFCSA-N 1 0 353.419 0.771 10 5 FCBERO CN(CCC[NH+](C)C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000561310995 491596852 /nfs/dbraw/zinc/59/68/52/491596852.db2.gz YMWCTRLTWIODDW-UHFFFAOYSA-N 1 0 372.447 0.625 10 5 FCBERO COC(=O)c1cccc(OC[C@H](O)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000584533631 491601556 /nfs/dbraw/zinc/60/15/56/491601556.db2.gz HNKKTVWSMGIXOQ-GFCCVEGCSA-N 1 0 353.375 0.369 10 5 FCBERO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577743074 491647791 /nfs/dbraw/zinc/64/77/91/491647791.db2.gz DOUGKYFDXPITNZ-VXGBXAGGSA-N 1 0 358.416 0.890 10 5 FCBERO CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC000578505802 491678635 /nfs/dbraw/zinc/67/86/35/491678635.db2.gz KGPXONLASJOUBF-RYUDHWBXSA-N 1 0 363.418 0.729 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@H]2C1 ZINC000589929935 491767747 /nfs/dbraw/zinc/76/77/47/491767747.db2.gz ORPACKXUQZHJSM-PWSUYJOCSA-N 1 0 369.399 0.691 10 5 FCBERO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590565002 491779503 /nfs/dbraw/zinc/77/95/03/491779503.db2.gz IJUUUKQOZGPDOK-ZIAGYGMSSA-N 1 0 350.375 0.078 10 5 FCBERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1n1cccn1 ZINC000582058125 491795994 /nfs/dbraw/zinc/79/59/94/491795994.db2.gz PTQJFZRTYVAXAB-LXTVHRRPSA-N 1 0 350.379 0.357 10 5 FCBERO C[NH+]1CCC2(CC1)CN(c1cccc([N+](=O)[O-])c1S(N)(=O)=O)CCO2 ZINC000591995125 491827395 /nfs/dbraw/zinc/82/73/95/491827395.db2.gz WVMIVSXGQVZZGZ-UHFFFAOYSA-N 1 0 370.431 0.543 10 5 FCBERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594928106 491872500 /nfs/dbraw/zinc/87/25/00/491872500.db2.gz ZTRIDNPSTMQKRC-GRYCIOLGSA-N 1 0 371.415 0.660 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000600669238 491874747 /nfs/dbraw/zinc/87/47/47/491874747.db2.gz JYTDOLSWYZPENL-IMRBUKKESA-N 1 0 369.399 0.562 10 5 FCBERO CN(C)C(=O)CN(CC[NH+](C)C)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601193942 491898464 /nfs/dbraw/zinc/89/84/64/491898464.db2.gz CKANBEOOVWUYRI-UHFFFAOYSA-N 1 0 366.344 0.803 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 ZINC000595404945 491928921 /nfs/dbraw/zinc/92/89/21/491928921.db2.gz PDKMXHMJPAHHIX-GFCCVEGCSA-N 1 0 358.420 0.721 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[C@H]1F ZINC000595990591 491970101 /nfs/dbraw/zinc/97/01/01/491970101.db2.gz YLTIQIPIBDVTEM-ZIAGYGMSSA-N 1 0 364.377 0.984 10 5 FCBERO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596423733 491985159 /nfs/dbraw/zinc/98/51/59/491985159.db2.gz AWYKPAAYBKOUIA-UHFFFAOYSA-N 1 0 359.452 0.538 10 5 FCBERO COc1cc(OCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000597625030 492052012 /nfs/dbraw/zinc/05/20/12/492052012.db2.gz OGGIEJLIDINSPS-ZDUSSCGKSA-N 1 0 364.402 0.488 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000604502301 492062191 /nfs/dbraw/zinc/06/21/91/492062191.db2.gz TZAXTDPIWWJNAT-ZDUSSCGKSA-N 1 0 360.370 0.627 10 5 FCBERO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000597990738 492076957 /nfs/dbraw/zinc/07/69/57/492076957.db2.gz NDMKJVAICDPRJI-OAHLLOKOSA-N 1 0 359.386 0.674 10 5 FCBERO Cc1nn(CCC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000598454652 492099569 /nfs/dbraw/zinc/09/95/69/492099569.db2.gz XQJIUWILAQOZPW-HNNXBMFYSA-N 1 0 365.434 0.856 10 5 FCBERO COC(=O)c1ccnc(N(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000598595228 492106760 /nfs/dbraw/zinc/10/67/60/492106760.db2.gz HEVGDEFAICSEMT-UHFFFAOYSA-N 1 0 351.407 0.850 10 5 FCBERO CC[NH+](CC)CC[C@@H](CO)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598623893 492109568 /nfs/dbraw/zinc/10/95/68/492109568.db2.gz DFXNDHOLVNHJNC-ZDUSSCGKSA-N 1 0 368.438 0.726 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598723240 492115966 /nfs/dbraw/zinc/11/59/66/492115966.db2.gz FSMPEDZCWLXDQF-BONVTDFDSA-N 1 0 369.399 0.883 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000599097274 492134758 /nfs/dbraw/zinc/13/47/58/492134758.db2.gz ACLTXKHXEGPFTF-WZRBSPASSA-N 1 0 373.435 0.378 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599101745 492135267 /nfs/dbraw/zinc/13/52/67/492135267.db2.gz AWOWVMXULWZYIN-ZJUUUORDSA-N 1 0 357.388 0.800 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000599101623 492135433 /nfs/dbraw/zinc/13/54/33/492135433.db2.gz MTIYIYDQJWZVCE-JGVFFNPUSA-N 1 0 371.341 0.476 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)n1 ZINC000599262285 492150792 /nfs/dbraw/zinc/15/07/92/492150792.db2.gz BQFOBQRHVWKJGB-NQBHXWOUSA-N 1 0 373.435 0.201 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000599266806 492151705 /nfs/dbraw/zinc/15/17/05/492151705.db2.gz MIVIEVBCWROCCK-AAEUAGOBSA-N 1 0 369.447 0.966 10 5 FCBERO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599568646 492189335 /nfs/dbraw/zinc/18/93/35/492189335.db2.gz HJKUEELKUSISEH-CJNGLKHVSA-N 1 0 354.359 0.598 10 5 FCBERO CC1(N2CCOCC2)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000599621463 492194970 /nfs/dbraw/zinc/19/49/70/492194970.db2.gz BYZDFVDGUPAJDE-UHFFFAOYSA-N 1 0 350.419 0.943 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599919796 492217453 /nfs/dbraw/zinc/21/74/53/492217453.db2.gz WSPVEOVLOUGRCP-GXFFZTMASA-N 1 0 356.404 0.418 10 5 FCBERO O=C([C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369548 492243685 /nfs/dbraw/zinc/24/36/85/492243685.db2.gz SXQYLHQLIMQXSV-DZGCQCFKSA-N 1 0 351.407 0.487 10 5 FCBERO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN1CCCS1(=O)=O ZINC000610614759 492254706 /nfs/dbraw/zinc/25/47/06/492254706.db2.gz DFHSGFRQLWVQMW-UHFFFAOYSA-N 1 0 370.431 0.891 10 5 FCBERO Cc1nn(CCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(C)c1[N+](=O)[O-] ZINC000619873569 492280690 /nfs/dbraw/zinc/28/06/90/492280690.db2.gz OISDNGRPCHSIFL-AWEZNQCLSA-N 1 0 350.423 0.304 10 5 FCBERO C[NH+](C)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551492487 546535778 /nfs/dbraw/zinc/53/57/78/546535778.db2.gz BDUOXZUCALWVAS-UHFFFAOYSA-N 1 0 359.180 0.974 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000572493487 546850373 /nfs/dbraw/zinc/85/03/73/546850373.db2.gz MAWJRBAQHPTVAN-UWVGGRQHSA-N 1 0 357.388 0.882 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416394174 546913600 /nfs/dbraw/zinc/91/36/00/546913600.db2.gz UISMYLBXNXXQEX-UHFFFAOYSA-N 1 0 357.388 0.754 10 5 FCBERO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593562708 546976074 /nfs/dbraw/zinc/97/60/74/546976074.db2.gz XXLDPDUAAZEACM-UHFFFAOYSA-N 1 0 357.436 0.294 10 5 FCBERO COc1ccc(NC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027919 546996169 /nfs/dbraw/zinc/99/61/69/546996169.db2.gz VMBZPZZQGQDCLL-NWDGAFQWSA-N 1 0 350.375 0.293 10 5 FCBERO [NH3+]C[C@@H](NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000594525655 547000469 /nfs/dbraw/zinc/00/04/69/547000469.db2.gz SSJKGJTUWXYDMW-SNVBAGLBSA-N 1 0 362.312 0.711 10 5 FCBERO COc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594532412 547000754 /nfs/dbraw/zinc/00/07/54/547000754.db2.gz RCVQPTITDCJTAP-SECBINFHSA-N 1 0 350.253 0.548 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594534431 547001797 /nfs/dbraw/zinc/00/17/97/547001797.db2.gz YMCZHRQESCFWMS-VIFPVBQESA-N 1 0 350.253 0.548 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000420460476 547340577 /nfs/dbraw/zinc/34/05/77/547340577.db2.gz SGOHCBFMELQACW-JTQLQIEISA-N 1 0 373.387 0.038 10 5 FCBERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262119759 663513634 /nfs/dbraw/zinc/51/36/34/663513634.db2.gz JJQQYRFRSFZKBA-GXFFZTMASA-N 1 0 358.420 0.363 10 5 FCBERO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000261746535 664902857 /nfs/dbraw/zinc/90/28/57/664902857.db2.gz UHUHTODSRFEBQK-UHFFFAOYSA-N 1 0 370.431 0.264 10 5 FCBERO CC(C)(C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC000941007408 666572577 /nfs/dbraw/zinc/57/25/77/666572577.db2.gz KQZAWAIPWURERP-ZIAGYGMSSA-N 1 0 352.435 0.587 10 5 FCBERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000775809326 668231803 /nfs/dbraw/zinc/23/18/03/668231803.db2.gz DHIHKZZLMMHICX-MBNYWOFBSA-N 1 0 355.395 0.609 10 5 FCBERO CC(C)OC(=O)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000819064217 668976364 /nfs/dbraw/zinc/97/63/64/668976364.db2.gz ULXUXNPAVDPSAO-AWEZNQCLSA-N 1 0 355.395 0.751 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819289671 668994760 /nfs/dbraw/zinc/99/47/60/668994760.db2.gz NVJXNEKZKPSZPZ-NWANDNLSSA-N 1 0 357.432 0.936 10 5 FCBERO CN(C)S(=O)(=O)[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127582 669082018 /nfs/dbraw/zinc/08/20/18/669082018.db2.gz FIIGOOQTNGDKTK-GJZGRUSLSA-N 1 0 357.432 0.984 10 5 FCBERO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000841301835 670546639 /nfs/dbraw/zinc/54/66/39/670546639.db2.gz FLFDSJAPXFJVPN-UHFFFAOYSA-N 1 0 354.750 0.388 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843316362 670796355 /nfs/dbraw/zinc/79/63/55/670796355.db2.gz OGELMAJQUHZNCO-UHFFFAOYSA-N 1 0 372.784 0.820 10 5 FCBERO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848602269 671285755 /nfs/dbraw/zinc/28/57/55/671285755.db2.gz XWJUNOMCZKCSMY-QMMMGPOBSA-N 1 0 352.244 0.987 10 5 FCBERO O=C1O[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677400 671289386 /nfs/dbraw/zinc/28/93/86/671289386.db2.gz DBYQVQXNGIPDRJ-DZGCQCFKSA-N 1 0 351.359 0.907 10 5 FCBERO C[NH2+]CCOCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000861677919 671979802 /nfs/dbraw/zinc/97/98/02/671979802.db2.gz YAOOXXCDYWYSSK-UHFFFAOYSA-N 1 0 351.407 0.662 10 5 FCBERO C[NH+](C)C[C@H](CO)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868345862 672394964 /nfs/dbraw/zinc/39/49/64/672394964.db2.gz RYSOGAHOAHWWTR-SNVBAGLBSA-N 1 0 360.208 0.939 10 5 FCBERO C[NH+](C)CCN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593051993 1192840217 /nfs/dbraw/zinc/84/02/17/1192840217.db2.gz UBKHMVFVNSMXFR-OAHLLOKOSA-N 1 0 366.418 0.040 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592870794 1196585640 /nfs/dbraw/zinc/58/56/40/1196585640.db2.gz FTUYJPIAVSIGJF-ZDUSSCGKSA-N 1 0 363.418 0.609 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000592431668 1196621679 /nfs/dbraw/zinc/62/16/79/1196621679.db2.gz WWOXHFOGUOOBRG-TZMCWYRMSA-N 1 0 370.356 0.871 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000592880957 1196740596 /nfs/dbraw/zinc/74/05/96/1196740596.db2.gz QKUZJYQMAMBIOJ-CYBMUJFWSA-N 1 0 364.402 0.942 10 5 FCBERO COc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])cc1F ZINC000593232793 1196764179 /nfs/dbraw/zinc/76/41/79/1196764179.db2.gz DQFPKYGKRPMLPL-UHFFFAOYSA-N 1 0 368.365 0.589 10 5 FCBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593918058 1196840781 /nfs/dbraw/zinc/84/07/81/1196840781.db2.gz ALXNRYUFYLVJTI-VHDGCEQUSA-N 1 0 364.402 0.644 10 5 FCBERO CCO[C@@H]1CN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@H]1C[NH3+] ZINC000593917269 1196840946 /nfs/dbraw/zinc/84/09/46/1196840946.db2.gz YDMXDHUKTJKDJZ-IUODEOHRSA-N 1 0 374.401 0.920 10 5 FCBERO COC(=O)c1cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001136874621 1203294083 /nfs/dbraw/zinc/29/40/83/1203294083.db2.gz RPGKYTWWOYWVBB-ABAIWWIYSA-N 1 0 364.402 0.746 10 5 FCBERO C[NH+]1CCC(N(CCO)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC001143822103 1203338225 /nfs/dbraw/zinc/33/82/25/1203338225.db2.gz LZZZFRKKGIBHJY-UHFFFAOYSA-N 1 0 361.402 0.860 10 5 FCBERO C[C@@](CO)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001175322328 1206303798 /nfs/dbraw/zinc/30/37/98/1206303798.db2.gz ATZACVGEISBVBU-ZWKOTPCHSA-N 1 0 359.382 0.765 10 5 FCBERO O=C(C[NH2+][C@H](CO)C1CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852320510 1209543833 /nfs/dbraw/zinc/54/38/33/1209543833.db2.gz LLONOCUHZSRCLQ-QGZVFWFLSA-N 1 0 362.430 0.994 10 5 FCBERO C[NH+](C)CCN1CCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1=O ZINC000853518159 1209595848 /nfs/dbraw/zinc/59/58/48/1209595848.db2.gz CQCPXACJBROAHL-UHFFFAOYSA-N 1 0 373.417 0.517 10 5 FCBERO CC1CCN(C(=O)C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001274332941 1211032137 /nfs/dbraw/zinc/03/21/37/1211032137.db2.gz LTQDMPDLFHSUDS-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO Cn1cc(-c2cc(C[NH2+]C3(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)on2)cn1 ZINC001277054440 1225816580 /nfs/dbraw/zinc/81/65/80/1225816580.db2.gz FOWHDCAFFPYOKK-TZMCWYRMSA-N 1 0 360.374 0.479 10 5 FCBERO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCCC[N@H+]1CCO ZINC000833566041 1222556411 /nfs/dbraw/zinc/55/64/11/1222556411.db2.gz PWZJLUCVXNPQIG-HNNXBMFYSA-N 1 0 361.402 0.908 10 5 FCBERO Cc1ccc(NCCCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])c1 ZINC001328983580 1265669892 /nfs/dbraw/zinc/66/98/92/1265669892.db2.gz ZPESGICJBFNASU-QWHCGFSZSA-N 1 0 363.418 0.688 10 5 FCBERO CCO[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C[NH+](C)C ZINC001288686686 1262030028 /nfs/dbraw/zinc/03/00/28/1262030028.db2.gz ZLLKCUFOQZPIMF-CQSZACIVSA-N 1 0 362.390 0.872 10 5 FCBERO C[NH+](C)Cc1ccccc1C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001298395936 1262924641 /nfs/dbraw/zinc/92/46/41/1262924641.db2.gz GWYODONMPKORMF-ILNYKDOHSA-N 1 0 360.414 0.816 10 5 FCBERO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)[C@@H]2C1 ZINC001299711643 1262977026 /nfs/dbraw/zinc/97/70/26/1262977026.db2.gz XWNFEHTYWMEBRS-XHDPSFHLSA-N 1 0 357.374 0.737 10 5 FCBERO C[C@@H]1[C@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC001479379573 1263188540 /nfs/dbraw/zinc/18/85/40/1263188540.db2.gz YKFAFQRWLXMCHL-JUDXGUMMSA-N 1 0 352.391 0.381 10 5 FCBERO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)NCC1CCC1 ZINC001484577880 1263480159 /nfs/dbraw/zinc/48/01/59/1263480159.db2.gz NPHHGYOQQLOLPH-HUUCEWRRSA-N 1 0 364.446 0.492 10 5 FCBERO CN(CCC[N@H+](C)Cc1ccc2c(c1)nnn2C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484741896 1263484679 /nfs/dbraw/zinc/48/46/79/1263484679.db2.gz INLGVSHFFDCJTG-CZUORRHYSA-N 1 0 360.418 0.914 10 5 FCBERO CN(CC[NH2+]Cc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493546422 1263724817 /nfs/dbraw/zinc/72/48/17/1263724817.db2.gz WJGMRURBJVIZPQ-ZIAGYGMSSA-N 1 0 355.416 0.303 10 5 FCBERO CCCn1nnnc1C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001495413211 1263818703 /nfs/dbraw/zinc/81/87/03/1263818703.db2.gz LXLJZESLPQCSOY-ZIAGYGMSSA-N 1 0 365.438 0.467 10 5 FCBERO CN(CC1CC1)C(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001495456160 1263820895 /nfs/dbraw/zinc/82/08/95/1263820895.db2.gz ZMSLCBGDYFDBIT-KBUPBQIOSA-N 1 0 352.435 0.537 10 5 FCBERO CCN(CC[NH2+]Cc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497391842 1263927206 /nfs/dbraw/zinc/92/72/06/1263927206.db2.gz ZPHBLJSDHWKOHO-HUUCEWRRSA-N 1 0 369.443 0.693 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC001499221862 1264015552 /nfs/dbraw/zinc/01/55/52/1264015552.db2.gz VNZWOUTVXNVPCZ-UKRRQHHQSA-N 1 0 358.398 0.479 10 5 FCBERO O=C(NCC1([NH2+]Cc2cncc(F)c2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001500571273 1264074778 /nfs/dbraw/zinc/07/47/78/1264074778.db2.gz XVNFCTITFQBPRI-ZIAGYGMSSA-N 1 0 352.366 0.641 10 5 FCBERO CCCNC(=O)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323720953 1264495275 /nfs/dbraw/zinc/49/52/75/1264495275.db2.gz XADQOHWUVKXQNH-HZPDHXFCSA-N 1 0 366.462 0.881 10 5 FCBERO CC(C)N(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001511727339 1264579803 /nfs/dbraw/zinc/57/98/03/1264579803.db2.gz KOLARODDHIEPMX-ZIAGYGMSSA-N 1 0 354.451 0.689 10 5 FCBERO Cc1ccnc(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001325795113 1264997488 /nfs/dbraw/zinc/99/74/88/1264997488.db2.gz PSRPREPMNVTOHN-HUUCEWRRSA-N 1 0 362.434 0.120 10 5 FCBERO CCN(CCCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001523908606 1266667126 /nfs/dbraw/zinc/66/71/26/1266667126.db2.gz YIJSEQKTAPMOJZ-ZIAGYGMSSA-N 1 0 352.435 0.635 10 5 FCBERO CCC[N@H+](C)CC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001532043582 1267157463 /nfs/dbraw/zinc/15/74/63/1267157463.db2.gz HJHNCKPOEBJXPQ-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO CC[NH+]1CCC(N2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC001557073536 1268925532 /nfs/dbraw/zinc/92/55/32/1268925532.db2.gz SJOWXNFGXDOUQE-UHFFFAOYSA-N 1 0 350.423 0.950 10 5 FCBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)C[C@@]2(C)C1 ZINC001557741302 1268972772 /nfs/dbraw/zinc/97/27/72/1268972772.db2.gz LAVFLVKAHSYRIW-CALCHBBNSA-N 1 0 371.401 0.984 10 5 FCBERO O=Cc1ccc(OCC(=O)N2CC([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001558384785 1269080792 /nfs/dbraw/zinc/08/07/92/1269080792.db2.gz MMZCOUYMZYULMJ-UHFFFAOYSA-N 1 0 363.370 0.766 10 5 FCBERO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC001565609427 1269481891 /nfs/dbraw/zinc/48/18/91/1269481891.db2.gz ORKJRRKCMXFPSP-BBRMVZONSA-N 1 0 350.419 0.628 10 5 FCBERO CC(C)c1n[nH]c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001569057449 1269761474 /nfs/dbraw/zinc/76/14/74/1269761474.db2.gz RNDDAVBHBCRDSA-UHFFFAOYSA-N 1 0 366.422 0.773 10 5 FCBERO COc1ccnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001570413879 1269880079 /nfs/dbraw/zinc/88/00/79/1269880079.db2.gz IBNAGWULDRCCIY-HUUCEWRRSA-N 1 0 364.402 0.199 10 5 FCBERO CCn1ccc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001570414092 1269880298 /nfs/dbraw/zinc/88/02/98/1269880298.db2.gz KXEKYWYWDSPBID-ZIAGYGMSSA-N 1 0 351.407 0.011 10 5 FCBERO CC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001571905664 1269979000 /nfs/dbraw/zinc/97/90/00/1269979000.db2.gz QIRFGKSAMQTJRY-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001575821308 1272479813 /nfs/dbraw/zinc/47/98/13/1272479813.db2.gz CAYSGAJTRBXBSD-ZIAGYGMSSA-N 1 0 354.451 0.927 10 5 FCBERO O=C(NCCC[NH+]1CCN(Cc2ccc(F)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713068188 1287262045 /nfs/dbraw/zinc/26/20/45/1287262045.db2.gz MMEMEQXNUIXZJZ-HZPDHXFCSA-N 1 0 365.409 0.510 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccc(F)c(F)c1 ZINC001713948104 1287307532 /nfs/dbraw/zinc/30/75/32/1287307532.db2.gz AODFVIUERIJVBF-ZHSDAYTOSA-N 1 0 368.340 0.805 10 5 FCBERO COc1ccc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001715167763 1287346040 /nfs/dbraw/zinc/34/60/40/1287346040.db2.gz GVXZOELZLGSCLK-HUUCEWRRSA-N 1 0 363.418 0.869 10 5 FCBERO CCCN(CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001581414424 1279893660 /nfs/dbraw/zinc/89/36/60/1279893660.db2.gz ALRBSBFWISYERR-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)s1 ZINC001716904398 1287393021 /nfs/dbraw/zinc/39/30/21/1287393021.db2.gz KPNCHIKVYQWOBO-CHWSQXEVSA-N 1 0 354.432 0.872 10 5 FCBERO O=C(NC1(C[NH2+]Cc2ccc(CO)cc2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717262483 1287415264 /nfs/dbraw/zinc/41/52/64/1287415264.db2.gz IJYYRGDCANFPHJ-HZPDHXFCSA-N 1 0 363.414 0.599 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1=O ZINC001583536999 1282097411 /nfs/dbraw/zinc/09/74/11/1282097411.db2.gz IHQBDKAVTJJKSE-UHFFFAOYSA-N 1 0 369.809 0.676 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993636 1282128811 /nfs/dbraw/zinc/12/88/11/1282128811.db2.gz DRTHWWAFWQJOGJ-KGLIPLIRSA-N 1 0 372.385 0.769 10 5 FCBERO CC[N@H+](CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC001632776605 1282206650 /nfs/dbraw/zinc/20/66/50/1282206650.db2.gz WDTJLSALWHCEIG-UHFFFAOYSA-N 1 0 372.447 0.720 10 5 FCBERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 ZINC001634686379 1282346427 /nfs/dbraw/zinc/34/64/27/1282346427.db2.gz GDDCKHXCGOBDTI-BETUJISGSA-N 1 0 362.434 0.860 10 5 FCBERO CCOC(=O)c1cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001635934893 1282441783 /nfs/dbraw/zinc/44/17/83/1282441783.db2.gz GTPPNWDDKHYYCA-CYBMUJFWSA-N 1 0 363.370 0.974 10 5 FCBERO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001639365046 1282775623 /nfs/dbraw/zinc/77/56/23/1282775623.db2.gz MDGIHWBOODSGSR-NSHDSACASA-N 1 0 358.358 0.378 10 5 FCBERO C[NH+]1CCC(C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001718996061 1287606907 /nfs/dbraw/zinc/60/69/07/1287606907.db2.gz BFEMJKHXYDLGCO-ZIAGYGMSSA-N 1 0 352.435 0.396 10 5 FCBERO CC(C)N(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001721261189 1288323040 /nfs/dbraw/zinc/32/30/40/1288323040.db2.gz PPJLSBGCZPTRHW-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO CCC[N@H+](C)CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001726202636 1288499173 /nfs/dbraw/zinc/49/91/73/1288499173.db2.gz NQYAJIPFBWOLEO-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO CCn1cc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001732292394 1288580829 /nfs/dbraw/zinc/58/08/29/1288580829.db2.gz LWUHGNWZNAJGDH-HUUCEWRRSA-N 1 0 350.423 0.682 10 5 FCBERO CC[N@H+](C)C(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001739167422 1289819162 /nfs/dbraw/zinc/81/91/62/1289819162.db2.gz WLILACYXJGZWPE-ZIAGYGMSSA-N 1 0 352.435 0.657 10 5 FCBERO NC(=O)c1ccc(C[NH+]2CCC(CN3CCNC3=O)CC2)c([N+](=O)[O-])c1 ZINC001620623386 1290008138 /nfs/dbraw/zinc/00/81/38/1290008138.db2.gz VVFVNFVPDUBYCA-UHFFFAOYSA-N 1 0 361.402 0.931 10 5 FCBERO C[N@@H+]1CC[C@H](CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001625575935 1290351584 /nfs/dbraw/zinc/35/15/84/1290351584.db2.gz HPVVWOQKZSSFTE-GFCCVEGCSA-N 1 0 370.431 0.331 10 5 FCBERO CCN1CC[NH+](C[C@H](C)CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001627135204 1290439725 /nfs/dbraw/zinc/43/97/25/1290439725.db2.gz SDSJNFXBGYJPSN-SNVBAGLBSA-N 1 0 358.830 0.975 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001628299629 1290524857 /nfs/dbraw/zinc/52/48/57/1290524857.db2.gz ILHYZMVWXLXRSY-CYBMUJFWSA-N 1 0 364.402 0.374 10 5 FCBERO C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001628390453 1290530533 /nfs/dbraw/zinc/53/05/33/1290530533.db2.gz RRYMWIJGSFCMMF-SWLSCSKDSA-N 1 0 364.402 0.537 10 5 FCBERO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C[N@@H+]1C1CC1 ZINC001630423184 1290668787 /nfs/dbraw/zinc/66/87/87/1290668787.db2.gz LFFHDPVWGXJQLB-QWRGUYRKSA-N 1 0 357.374 0.926 10 5 FCBERO C[N@@H+]1CC[C@H](CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001631566741 1290739408 /nfs/dbraw/zinc/73/94/08/1290739408.db2.gz ZPCKWYCYOPISFG-GFCCVEGCSA-N 1 0 370.431 0.331 10 5 FCBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001644116275 1290939903 /nfs/dbraw/zinc/93/99/03/1290939903.db2.gz KRSBHUPGMPFJQA-FDOKIQAASA-N 1 0 360.370 0.906 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC001644124090 1290941210 /nfs/dbraw/zinc/94/12/10/1290941210.db2.gz WUBBEAMVWRLFKF-MRXNPFEDSA-N 1 0 369.443 0.818 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2[NH+]2CCC(O)CC2)n1 ZINC001644149390 1290942418 /nfs/dbraw/zinc/94/24/18/1290942418.db2.gz DTTIILVPGLOHAP-CHWSQXEVSA-N 1 0 351.407 0.919 10 5 FCBERO COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644309224 1290954550 /nfs/dbraw/zinc/95/45/50/1290954550.db2.gz YLRBUGQSYHHDCX-RDJZCZTQSA-N 1 0 364.402 0.744 10 5 FCBERO COC(=O)c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001651494834 1291225162 /nfs/dbraw/zinc/22/51/62/1291225162.db2.gz CBIAZFPSLSRSNV-OLZOCXBDSA-N 1 0 350.375 0.812 10 5 FCBERO NC(=O)c1ccnc(N2CCC(O)(C[NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC001652318502 1291274287 /nfs/dbraw/zinc/27/42/87/1291274287.db2.gz WTSGPDKZYXZRBB-UHFFFAOYSA-N 1 0 363.418 0.906 10 5 FCBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761312 1291297210 /nfs/dbraw/zinc/29/72/10/1291297210.db2.gz WEDDHYCEOSQTGQ-JSGCOSHPSA-N 1 0 352.391 0.378 10 5 FCBERO COc1ccc(OCC[N@H+](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001654662428 1291425679 /nfs/dbraw/zinc/42/56/79/1291425679.db2.gz RSLCFXZAYRZNJK-UHFFFAOYSA-N 1 0 353.375 0.949 10 5 FCBERO COC(=O)[C@@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001655430939 1291468020 /nfs/dbraw/zinc/46/80/20/1291468020.db2.gz JDEVXPOASCTFBG-OAHLLOKOSA-N 1 0 355.322 0.672 10 5 FCBERO C[C@@]1(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)COC(=O)N1 ZINC001655613859 1291477712 /nfs/dbraw/zinc/47/77/12/1291477712.db2.gz WEEPORUJYNCBHE-INIZCTEOSA-N 1 0 350.375 0.967 10 5 FCBERO COc1ccc(OCC[NH2+][C@](C)(Cn2cccn2)C(N)=O)c([N+](=O)[O-])c1 ZINC001656450617 1291524463 /nfs/dbraw/zinc/52/44/63/1291524463.db2.gz AKRCKDVSADWBOK-MRXNPFEDSA-N 1 0 363.374 0.713 10 5 FCBERO COc1ccc(OCC[NH2+][C@@](C)(Cn2cccn2)C(N)=O)c([N+](=O)[O-])c1 ZINC001656450616 1291524665 /nfs/dbraw/zinc/52/46/65/1291524665.db2.gz AKRCKDVSADWBOK-INIZCTEOSA-N 1 0 363.374 0.713 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC001661422446 1291693181 /nfs/dbraw/zinc/69/31/81/1291693181.db2.gz XSUIATJHRJVBML-KBUPBQIOSA-N 1 0 364.377 0.344 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OCCC[NH2+]Cc2cnns2)CC1 ZINC001276158661 861335876 /nfs/dbraw/zinc/33/58/76/861335876.db2.gz MVLPJRKHNYWRKH-ZIAGYGMSSA-N 1 0 369.447 0.691 10 5 FCBERO CC[N@@H+]1CC[C@@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001133014560 849146217 /nfs/dbraw/zinc/14/62/17/849146217.db2.gz CYEXKGOVRQIXTF-LLVKDONJSA-N 1 0 352.416 0.996 10 5 FCBERO C[C@H](CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001136391191 849219201 /nfs/dbraw/zinc/21/92/01/849219201.db2.gz KXUDHSYVNAXCDD-GFCCVEGCSA-N 1 0 372.447 0.577 10 5 FCBERO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001137732528 849281206 /nfs/dbraw/zinc/28/12/06/849281206.db2.gz IRDCQFYOSNQDTD-OAHLLOKOSA-N 1 0 357.432 0.722 10 5 FCBERO CC(C)[C@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001164321077 850406946 /nfs/dbraw/zinc/40/69/46/850406946.db2.gz GNMSZPJGDPDXHQ-LBPRGKRZSA-N 1 0 372.447 0.576 10 5 FCBERO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001168300922 850580522 /nfs/dbraw/zinc/58/05/22/850580522.db2.gz PLBVMCPQEBSJGS-UHFFFAOYSA-N 1 0 352.391 0.908 10 5 FCBERO COC(=O)[C@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001175669973 850770062 /nfs/dbraw/zinc/77/00/62/850770062.db2.gz XEIJWKVXKPWADU-INIZCTEOSA-N 1 0 351.359 0.842 10 5 FCBERO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001195125351 852710939 /nfs/dbraw/zinc/71/09/39/852710939.db2.gz YSWOQSJBCHWUFP-DZGCQCFKSA-N 1 0 351.407 0.629 10 5 FCBERO CN(C)C(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195477867 852769576 /nfs/dbraw/zinc/76/95/76/852769576.db2.gz RGJMZOFVVYUFAJ-UHFFFAOYSA-N 1 0 358.420 0.283 10 5 FCBERO C[C@@]1([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892537 853181645 /nfs/dbraw/zinc/18/16/45/853181645.db2.gz ZVTGFUXJWFYCGL-LRDDRELGSA-N 1 0 350.375 0.967 10 5 FCBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC1CCCCCC1 ZINC001265842844 859467094 /nfs/dbraw/zinc/46/70/94/859467094.db2.gz LUGWYJBXYUCZDR-HUUCEWRRSA-N 1 0 354.451 0.929 10 5 FCBERO CN(CCC[NH2+]CC(=O)Nc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268791499 859542048 /nfs/dbraw/zinc/54/20/48/859542048.db2.gz NSUKLGIMFZPBML-BXUZGUMPSA-N 1 0 352.366 0.868 10 5 FCBERO Cn1c(Cl)cnc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274516469 860767732 /nfs/dbraw/zinc/76/77/32/860767732.db2.gz SNIDBLQTLHWVED-GHMZBOCLSA-N 1 0 371.825 0.182 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OCCC[NH2+]Cc2ccon2)CC1 ZINC001282581651 864351715 /nfs/dbraw/zinc/35/17/15/864351715.db2.gz CMHNQTIQMVSLHC-HUUCEWRRSA-N 1 0 352.391 0.827 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[NH+]1CCC(C)CC1 ZINC001284704504 864590511 /nfs/dbraw/zinc/59/05/11/864590511.db2.gz DGLUIZFMBWFWHK-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO CC[NH+](CC)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001288710574 864801338 /nfs/dbraw/zinc/80/13/38/864801338.db2.gz GEQGEFZYJZRQHF-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCS(C)(=O)=O)c2)CC1 ZINC001289291629 865007601 /nfs/dbraw/zinc/00/76/01/865007601.db2.gz HALDFYJPVZOEDC-UHFFFAOYSA-N 1 0 370.431 0.720 10 5 FCBERO CC[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001299863788 866198051 /nfs/dbraw/zinc/19/80/51/866198051.db2.gz OSPAFHSKUCMWLS-LBPRGKRZSA-N 1 0 372.447 0.672 10 5 FCBERO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001353773444 867487205 /nfs/dbraw/zinc/48/72/05/867487205.db2.gz ZIMBNBUBUFMTKB-LXTVHRRPSA-N 1 0 352.435 0.681 10 5 FCBERO C[NH+](C)CC1(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCCC1 ZINC001356777498 868048852 /nfs/dbraw/zinc/04/88/52/868048852.db2.gz CQJBCISZHHEERD-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO C[N@H+](CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)C1CCC1 ZINC001356936987 868061902 /nfs/dbraw/zinc/06/19/02/868061902.db2.gz SUXIRARERAPNEN-ZIAGYGMSSA-N 1 0 352.435 0.681 10 5 FCBERO CC(C)[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001358689860 868246998 /nfs/dbraw/zinc/24/69/98/868246998.db2.gz GKDBCFNXXBWREX-ZIAGYGMSSA-N 1 0 352.435 0.537 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC001328798170 871631356 /nfs/dbraw/zinc/63/13/56/871631356.db2.gz CIVIGFNDLHQADO-GMXVVIOVSA-N 1 0 373.435 0.235 10 5 FCBERO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001329434228 872024244 /nfs/dbraw/zinc/02/42/44/872024244.db2.gz QVLCFQRLUDIZDS-LLVKDONJSA-N 1 0 350.375 0.396 10 5 FCBERO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC001329437861 872029927 /nfs/dbraw/zinc/02/99/27/872029927.db2.gz OAWKVNOZLIWFRZ-ZYHUDNBSSA-N 1 0 350.375 0.476 10 5 FCBERO CN1CCO[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711995 213204047 /nfs/dbraw/zinc/20/40/47/213204047.db2.gz JCKXRCYAINRAFJ-SJORKVTESA-N 1 0 360.414 0.889 10 5 FCBERO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000193989126 209320449 /nfs/dbraw/zinc/32/04/49/209320449.db2.gz CTBHEJPYLVERPM-UHFFFAOYSA-N 1 0 374.438 0.958 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931287679 674107381 /nfs/dbraw/zinc/10/73/81/674107381.db2.gz AOJJKHJWEXLBMX-INIZCTEOSA-N 1 0 353.423 0.339 10 5 FCBERO Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000181697200 209120256 /nfs/dbraw/zinc/12/02/56/209120256.db2.gz INAAZRKGFODNSW-AWEZNQCLSA-N 1 0 351.388 0.664 10 5 FCBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020902 245746431 /nfs/dbraw/zinc/74/64/31/245746431.db2.gz OLENCSYOXDVHOL-BXUZGUMPSA-N 1 0 370.431 0.666 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425550807 247353321 /nfs/dbraw/zinc/35/33/21/247353321.db2.gz WWUSIVMQZGBFDD-JKSUJKDBSA-N 1 0 368.434 0.700 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425550800 247353490 /nfs/dbraw/zinc/35/34/90/247353490.db2.gz WWUSIVMQZGBFDD-CVEARBPZSA-N 1 0 368.434 0.700 10 5 FCBERO COc1cc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000269589439 211017163 /nfs/dbraw/zinc/01/71/63/211017163.db2.gz MFZWMMAMHHJXIP-ZDUSSCGKSA-N 1 0 367.402 0.945 10 5 FCBERO CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000106103208 208211652 /nfs/dbraw/zinc/21/16/52/208211652.db2.gz IIQNQKOEILZZGZ-IUODEOHRSA-N 1 0 350.419 0.971 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000117233259 208341949 /nfs/dbraw/zinc/34/19/49/208341949.db2.gz CZCYURMDDRIMOV-UHFFFAOYSA-N 1 0 373.413 0.756 10 5 FCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000119704552 208368979 /nfs/dbraw/zinc/36/89/79/208368979.db2.gz ZLXIMLWVQDTECF-CYBMUJFWSA-N 1 0 350.423 0.570 10 5 FCBERO CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000180303473 209093985 /nfs/dbraw/zinc/09/39/85/209093985.db2.gz OZUVEADFMSHMFK-GFCCVEGCSA-N 1 0 361.395 0.811 10 5 FCBERO Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC000301685220 488883259 /nfs/dbraw/zinc/88/32/59/488883259.db2.gz WQYXMNIRJGCVNA-OLZOCXBDSA-N 1 0 352.347 0.823 10 5 FCBERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000364340987 488949262 /nfs/dbraw/zinc/94/92/62/488949262.db2.gz SSMPMUBVBMHONU-KBPBESRZSA-N 1 0 353.375 0.799 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000268360239 488411127 /nfs/dbraw/zinc/41/11/27/488411127.db2.gz CJWLDOGBRMZWJD-UHFFFAOYSA-N 1 0 352.420 0.904 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)n1 ZINC000191813471 488421294 /nfs/dbraw/zinc/42/12/94/488421294.db2.gz VVDALQVMPWHUKW-ZDUSSCGKSA-N 1 0 352.439 0.815 10 5 FCBERO COCC[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000252353144 488517869 /nfs/dbraw/zinc/51/78/69/488517869.db2.gz RZVLDXISBJRXTG-GDBMZVCRSA-N 1 0 353.419 0.987 10 5 FCBERO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271715317 488540984 /nfs/dbraw/zinc/54/09/84/488540984.db2.gz WTMMKKIUJPFMPO-DAXOMENPSA-N 1 0 367.402 0.074 10 5 FCBERO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000126103118 488607048 /nfs/dbraw/zinc/60/70/48/488607048.db2.gz ZJSPICOPYBIVTE-UHFFFAOYSA-N 1 0 374.401 0.650 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000273035563 488626962 /nfs/dbraw/zinc/62/69/62/488626962.db2.gz GKBLSEBPAZSTII-ZDUSSCGKSA-N 1 0 364.402 0.886 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)C1CC1 ZINC000273189247 488637153 /nfs/dbraw/zinc/63/71/53/488637153.db2.gz RAWAWMPHBNTHIH-UHFFFAOYSA-N 1 0 357.388 0.754 10 5 FCBERO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266827391 488734670 /nfs/dbraw/zinc/73/46/70/488734670.db2.gz JZSZDRARTWICOB-JTQLQIEISA-N 1 0 356.404 0.375 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000154312154 488741251 /nfs/dbraw/zinc/74/12/51/488741251.db2.gz DPHAZIFKAXVIFW-LSDHHAIUSA-N 1 0 374.401 0.186 10 5 FCBERO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)nc1 ZINC000158386090 488777831 /nfs/dbraw/zinc/77/78/31/488777831.db2.gz YEYDICBXWJRDFP-UHFFFAOYSA-N 1 0 359.390 0.737 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159174542 488783773 /nfs/dbraw/zinc/78/37/73/488783773.db2.gz FCWMGWAIUSOFDL-INIZCTEOSA-N 1 0 373.413 0.635 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173288203 488842011 /nfs/dbraw/zinc/84/20/11/488842011.db2.gz KEZGETWIMOXZRW-HNNXBMFYSA-N 1 0 364.450 0.728 10 5 FCBERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000174084597 488847399 /nfs/dbraw/zinc/84/73/99/488847399.db2.gz PSOBZGCDQDYLHV-HZPDHXFCSA-N 1 0 353.419 0.723 10 5 FCBERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176232833 488857887 /nfs/dbraw/zinc/85/78/87/488857887.db2.gz CUVYVPZYZULJGR-MRXNPFEDSA-N 1 0 366.466 0.518 10 5 FCBERO COC(=O)c1cc(C)nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000367717675 489210203 /nfs/dbraw/zinc/21/02/03/489210203.db2.gz VNBYWGKHKRJSCD-NEPJUHHUSA-N 1 0 350.375 1.360 10 5 FCBERO C[NH+](C)CCN1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000298796636 489366223 /nfs/dbraw/zinc/36/62/23/489366223.db2.gz PBCQQBXHOBHCFG-UHFFFAOYSA-N 1 0 371.463 0.680 10 5 FCBERO CCn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000363623325 489484075 /nfs/dbraw/zinc/48/40/75/489484075.db2.gz KNEJWZVQQFKHJN-HNNXBMFYSA-N 1 0 374.397 0.969 10 5 FCBERO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451666495 489515925 /nfs/dbraw/zinc/51/59/25/489515925.db2.gz HDPRRJUCVZVAHZ-AWEZNQCLSA-N 1 0 357.432 0.861 10 5 FCBERO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000451672462 489517038 /nfs/dbraw/zinc/51/70/38/489517038.db2.gz SPVBEHNUAVYZQC-INIZCTEOSA-N 1 0 371.459 0.904 10 5 FCBERO Cc1cc(S(=O)(=O)N2CCN(CCO)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416494062 489601182 /nfs/dbraw/zinc/60/11/82/489601182.db2.gz HNSSNIZJBCTOTO-ZDUSSCGKSA-N 1 0 357.432 0.899 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429353628 489683598 /nfs/dbraw/zinc/68/35/98/489683598.db2.gz ZHLCVSHEFCNPPA-OAHLLOKOSA-N 1 0 374.401 0.594 10 5 FCBERO C[C@H]1CN(CCO)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458708383 489697301 /nfs/dbraw/zinc/69/73/01/489697301.db2.gz SRQCGXHRPYFNMJ-NSHDSACASA-N 1 0 362.390 0.679 10 5 FCBERO C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)[C@H](C)[NH3+] ZINC000418708092 489719734 /nfs/dbraw/zinc/71/97/34/489719734.db2.gz UCKFTVBEVPHFOX-VHSXEESVSA-N 1 0 355.420 0.859 10 5 FCBERO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1=O ZINC000476141217 489869415 /nfs/dbraw/zinc/86/94/15/489869415.db2.gz HCCLRCPJLGSDSW-ZDUSSCGKSA-N 1 0 361.402 0.285 10 5 FCBERO O=C(CC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000377223708 489870704 /nfs/dbraw/zinc/87/07/04/489870704.db2.gz LOSWXYZYSVRIPW-ZIAGYGMSSA-N 1 0 366.349 0.652 10 5 FCBERO COC(=O)COc1ccc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000435060957 489979157 /nfs/dbraw/zinc/97/91/57/489979157.db2.gz NQCVRWDFTPYSNT-QGZVFWFLSA-N 1 0 363.370 0.859 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000420452773 489979778 /nfs/dbraw/zinc/97/97/78/489979778.db2.gz CMPGEEDFCUXXPO-VXGBXAGGSA-N 1 0 357.436 0.964 10 5 FCBERO COc1cc(CCNC(=O)CCOC2C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000564206188 491294057 /nfs/dbraw/zinc/29/40/57/491294057.db2.gz VBHBYSRXGUMNQU-UHFFFAOYSA-N 1 0 353.375 0.649 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444723133 490110237 /nfs/dbraw/zinc/11/02/37/490110237.db2.gz UQACBCPJNOGSFG-MVWJERBFSA-N 1 0 352.313 0.787 10 5 FCBERO CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000520318342 490132268 /nfs/dbraw/zinc/13/22/68/490132268.db2.gz KCFFYHWKZPMWAK-LBPRGKRZSA-N 1 0 372.381 0.886 10 5 FCBERO CCO[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000405581137 490183797 /nfs/dbraw/zinc/18/37/97/490183797.db2.gz KEDDFJHFWVRACE-ZWNOBZJWSA-N 1 0 359.404 0.588 10 5 FCBERO Cc1nn(C)c(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000408105721 490250774 /nfs/dbraw/zinc/25/07/74/490250774.db2.gz IARBXYNOYWDFGW-NSHDSACASA-N 1 0 351.407 0.962 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1 ZINC000564561528 491314075 /nfs/dbraw/zinc/31/40/75/491314075.db2.gz BVVMNHWBECACJN-LBPRGKRZSA-N 1 0 365.781 0.681 10 5 FCBERO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000484772964 490465370 /nfs/dbraw/zinc/46/53/70/490465370.db2.gz ZABQXMQDCODOOV-UHFFFAOYSA-N 1 0 362.477 0.961 10 5 FCBERO C[C@@H](CO)N(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000487077548 490691391 /nfs/dbraw/zinc/69/13/91/490691391.db2.gz WIUIZMVHURKGJZ-NSHDSACASA-N 1 0 360.436 0.252 10 5 FCBERO CN(CCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540515590 490825941 /nfs/dbraw/zinc/82/59/41/490825941.db2.gz KXXCAEFWRQENSX-UHFFFAOYSA-N 1 0 372.447 0.673 10 5 FCBERO Cc1cc(C(=O)NCC(=O)NCCNc2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC000541169193 490853684 /nfs/dbraw/zinc/85/36/84/490853684.db2.gz CYUVZRICGJJTJP-UHFFFAOYSA-N 1 0 357.370 0.678 10 5 FCBERO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572944854 491403105 /nfs/dbraw/zinc/40/31/05/491403105.db2.gz KSGXHONBEPBARY-GOSISDBHSA-N 1 0 360.414 0.856 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@H](O)CNC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000566620112 491456706 /nfs/dbraw/zinc/45/67/06/491456706.db2.gz MXFJPRADIZBCGM-JKSUJKDBSA-N 1 0 353.419 0.771 10 5 FCBERO C[C@@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000574290245 491487113 /nfs/dbraw/zinc/48/71/13/491487113.db2.gz PYWDYUYEAGIGJT-GFCCVEGCSA-N 1 0 370.431 0.331 10 5 FCBERO CC[NH+](CC)CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000567969883 491544301 /nfs/dbraw/zinc/54/43/01/491544301.db2.gz XSDFUEWPDSLSCT-UHFFFAOYSA-N 1 0 371.463 0.783 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000575749010 491558363 /nfs/dbraw/zinc/55/83/63/491558363.db2.gz KVUVFHMFXGCJIF-JKSUJKDBSA-N 1 0 353.419 0.771 10 5 FCBERO CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC000578505803 491678596 /nfs/dbraw/zinc/67/85/96/491678596.db2.gz KGPXONLASJOUBF-VXGBXAGGSA-N 1 0 363.418 0.729 10 5 FCBERO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588005117 491737299 /nfs/dbraw/zinc/73/72/99/491737299.db2.gz PODMFXUZCNTMAP-OAHLLOKOSA-N 1 0 363.418 0.588 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590443471 491776685 /nfs/dbraw/zinc/77/66/85/491776685.db2.gz IWVOHQXRJOPTIY-YPMHNXCESA-N 1 0 368.415 0.036 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590442289 491776811 /nfs/dbraw/zinc/77/68/11/491776811.db2.gz FGBZVYVTFVYJQS-YPMHNXCESA-N 1 0 364.427 0.948 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000590446005 491777225 /nfs/dbraw/zinc/77/72/25/491777225.db2.gz QGXMKEKBKIMCOA-ZWNOBZJWSA-N 1 0 358.354 0.353 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000590562477 491779468 /nfs/dbraw/zinc/77/94/68/491779468.db2.gz LVHWDZIMOFUVOV-KGLIPLIRSA-N 1 0 351.407 0.811 10 5 FCBERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000590774489 491786196 /nfs/dbraw/zinc/78/61/96/491786196.db2.gz ZUJBOVJTLNMBKJ-NSHDSACASA-N 1 0 351.359 0.900 10 5 FCBERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1n1cccn1 ZINC000582058124 491796022 /nfs/dbraw/zinc/79/60/22/491796022.db2.gz PTQJFZRTYVAXAB-BYNSBNAKSA-N 1 0 350.379 0.357 10 5 FCBERO C[NH+]1CCC2(CC1)CN(c1cc([N+](=O)[O-])ccc1S(N)(=O)=O)CCO2 ZINC000591992166 491827146 /nfs/dbraw/zinc/82/71/46/491827146.db2.gz PORRTHGQTJMCIJ-UHFFFAOYSA-N 1 0 370.431 0.543 10 5 FCBERO CCC1([NH+]2CCOCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000600680906 491875710 /nfs/dbraw/zinc/87/57/10/491875710.db2.gz BHAUMPYNEZWPKZ-UHFFFAOYSA-N 1 0 351.407 0.895 10 5 FCBERO CN(C)S(=O)(=O)N1CC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000600760494 491880927 /nfs/dbraw/zinc/88/09/27/491880927.db2.gz KHNZSZOGIAOSRI-UHFFFAOYSA-N 1 0 371.419 0.004 10 5 FCBERO Cc1cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601340784 491905784 /nfs/dbraw/zinc/90/57/84/491905784.db2.gz XDCPASHTRLNQLE-SNVBAGLBSA-N 1 0 362.477 0.879 10 5 FCBERO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595277853 491911476 /nfs/dbraw/zinc/91/14/76/491911476.db2.gz GLAXBXZSDKXNHN-UHFFFAOYSA-N 1 0 358.398 0.954 10 5 FCBERO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595280419 491912007 /nfs/dbraw/zinc/91/20/07/491912007.db2.gz BLCQBNDKRJTTAD-CYBMUJFWSA-N 1 0 366.422 0.444 10 5 FCBERO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cnnn1C1CC[NH2+]CC1 ZINC000595919179 491961221 /nfs/dbraw/zinc/96/12/21/491961221.db2.gz ANIQBGQMSPISOY-UHFFFAOYSA-N 1 0 359.390 0.953 10 5 FCBERO CN(CC(=O)N1CC2CC1(C[NH3+])C2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595941713 491963016 /nfs/dbraw/zinc/96/30/16/491963016.db2.gz BBNSLXJSNVVOSA-UHFFFAOYSA-N 1 0 368.415 0.165 10 5 FCBERO CCOc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000596098991 491975369 /nfs/dbraw/zinc/97/53/69/491975369.db2.gz VRDOJAZHQBDTTF-UHFFFAOYSA-N 1 0 351.359 0.817 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000597574005 492048200 /nfs/dbraw/zinc/04/82/00/492048200.db2.gz LGTIXCAXOOUUJD-QGZVFWFLSA-N 1 0 365.386 0.895 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000597574004 492048495 /nfs/dbraw/zinc/04/84/95/492048495.db2.gz LGTIXCAXOOUUJD-KRWDZBQOSA-N 1 0 365.386 0.895 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597624673 492052381 /nfs/dbraw/zinc/05/23/81/492052381.db2.gz JNWAQIICOARZFJ-CYBMUJFWSA-N 1 0 362.386 0.486 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604199599 492054298 /nfs/dbraw/zinc/05/42/98/492054298.db2.gz RGRZXAXYBRJWOT-GFCCVEGCSA-N 1 0 350.375 0.544 10 5 FCBERO Nc1nccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000597989955 492076209 /nfs/dbraw/zinc/07/62/09/492076209.db2.gz IQFGVVWBALGIPL-AWEZNQCLSA-N 1 0 371.397 1.069 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000598162130 492086391 /nfs/dbraw/zinc/08/63/91/492086391.db2.gz VNAUNKBUPVUMNX-UHFFFAOYSA-N 1 0 360.370 0.882 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)n1 ZINC000599100026 492135141 /nfs/dbraw/zinc/13/51/41/492135141.db2.gz DXPKREHGLYCIIY-UHFFFAOYSA-N 1 0 351.388 0.929 10 5 FCBERO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000599106191 492136133 /nfs/dbraw/zinc/13/61/33/492136133.db2.gz AOAITRMODAFQEJ-NWDGAFQWSA-N 1 0 357.388 0.800 10 5 FCBERO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC2COC2)c([N+](=O)[O-])c1 ZINC000599176645 492139550 /nfs/dbraw/zinc/13/95/50/492139550.db2.gz WHXGZYRUAKHECW-UHFFFAOYSA-N 1 0 358.420 0.493 10 5 FCBERO C[NH+]1CCN(C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000609021923 492196770 /nfs/dbraw/zinc/19/67/70/492196770.db2.gz ZITQECYFSNJHIH-HNNXBMFYSA-N 1 0 373.417 0.291 10 5 FCBERO CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609357453 492207107 /nfs/dbraw/zinc/20/71/07/492207107.db2.gz KHDZRMAJEXRYJO-AWEZNQCLSA-N 1 0 363.418 0.852 10 5 FCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000599921446 492217857 /nfs/dbraw/zinc/21/78/57/492217857.db2.gz RTBBKGTYILACHL-OAHLLOKOSA-N 1 0 366.422 0.591 10 5 FCBERO CC[NH+]1CCN(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189123539 529146267 /nfs/dbraw/zinc/14/62/67/529146267.db2.gz GENOHNUSLIWZLJ-UHFFFAOYSA-N 1 0 356.448 0.652 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599101743 546515238 /nfs/dbraw/zinc/51/52/38/546515238.db2.gz AWOWVMXULWZYIN-UWVGGRQHSA-N 1 0 357.388 0.800 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000564958546 546581833 /nfs/dbraw/zinc/58/18/33/546581833.db2.gz SNQMYPGJCZSZLE-UHFFFAOYSA-N 1 0 357.388 0.659 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592367151 546948181 /nfs/dbraw/zinc/94/81/81/546948181.db2.gz JIDAVHSKZCZUGN-JTQLQIEISA-N 1 0 357.388 0.802 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000592372345 546948665 /nfs/dbraw/zinc/94/86/65/546948665.db2.gz QNDQIQUSRIBINJ-UHFFFAOYSA-N 1 0 357.388 0.754 10 5 FCBERO COc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000592871475 546958545 /nfs/dbraw/zinc/95/85/45/546958545.db2.gz IVHVNXFOZTUODF-NSHDSACASA-N 1 0 350.375 0.795 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872340 546960512 /nfs/dbraw/zinc/96/05/12/546960512.db2.gz LZQSEXCQQYKRRG-JTQLQIEISA-N 1 0 352.395 0.462 10 5 FCBERO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593621957 546984838 /nfs/dbraw/zinc/98/48/38/546984838.db2.gz OWALLPXRQPEIRO-UHFFFAOYSA-N 1 0 370.431 0.130 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594803523 547012667 /nfs/dbraw/zinc/01/26/67/547012667.db2.gz QABKTZAEXRHEFE-LBPRGKRZSA-N 1 0 359.452 0.540 10 5 FCBERO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697338 547352513 /nfs/dbraw/zinc/35/25/13/547352513.db2.gz TZKLSEPBYAVBII-SMDDNHRTSA-N 1 0 368.415 0.907 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819289672 668994807 /nfs/dbraw/zinc/99/48/07/668994807.db2.gz NVJXNEKZKPSZPZ-QEJZJMRPSA-N 1 0 357.432 0.936 10 5 FCBERO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819310504 668996580 /nfs/dbraw/zinc/99/65/80/668996580.db2.gz BNTNAKBDMIMLSX-UKRRQHHQSA-N 1 0 372.447 0.489 10 5 FCBERO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000828834853 669671946 /nfs/dbraw/zinc/67/19/46/669671946.db2.gz XEFTWKAUWKGTKG-KBPBESRZSA-N 1 0 350.419 0.850 10 5 FCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000849375603 671330912 /nfs/dbraw/zinc/33/09/12/671330912.db2.gz ZDXOIPNSPMJTRY-CYBMUJFWSA-N 1 0 370.431 0.912 10 5 FCBERO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000851852348 671474003 /nfs/dbraw/zinc/47/40/03/671474003.db2.gz MMCLEQGZWDLHOH-LBPRGKRZSA-N 1 0 373.406 0.954 10 5 FCBERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000117325752 671877529 /nfs/dbraw/zinc/87/75/29/671877529.db2.gz LDQQLCBALIXKBE-MRXNPFEDSA-N 1 0 352.439 0.476 10 5 FCBERO [NH3+]C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000861514058 671967377 /nfs/dbraw/zinc/96/73/77/671967377.db2.gz XLBQNQIOBYNPLP-UHFFFAOYSA-N 1 0 356.766 0.811 10 5 FCBERO CC(C)n1ccc(CN2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001266283239 1167854154 /nfs/dbraw/zinc/85/41/54/1167854154.db2.gz JWEBTQIXMDYBIT-HZPDHXFCSA-N 1 0 364.450 0.363 10 5 FCBERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001625875662 1171788684 /nfs/dbraw/zinc/78/86/84/1171788684.db2.gz HUXHBHPBASHWJE-VXGBXAGGSA-N 1 0 357.374 0.927 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCn1cncn1 ZINC001267529055 1181628167 /nfs/dbraw/zinc/62/81/67/1181628167.db2.gz GCARJTMVHBJQSE-QKPAOTATSA-N 1 0 362.434 0.789 10 5 FCBERO COc1ccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001481228775 1182925339 /nfs/dbraw/zinc/92/53/39/1182925339.db2.gz FZNPKKVJDYXFIS-ZIAGYGMSSA-N 1 0 350.375 0.347 10 5 FCBERO COc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c(C)n1 ZINC001270743735 1188293154 /nfs/dbraw/zinc/29/31/54/1188293154.db2.gz WCGJQNLGPZWOLC-ZIAGYGMSSA-N 1 0 363.418 0.977 10 5 FCBERO CN(CCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc[nH+]cc1 ZINC001745977757 1191101402 /nfs/dbraw/zinc/10/14/02/1191101402.db2.gz IYAFABSHVPRFHP-HUUCEWRRSA-N 1 0 361.402 0.148 10 5 FCBERO COc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000592872910 1196586290 /nfs/dbraw/zinc/58/62/90/1196586290.db2.gz MYIUGCGTDXOEBF-SNVBAGLBSA-N 1 0 368.365 0.935 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592523753 1196652234 /nfs/dbraw/zinc/65/22/34/1196652234.db2.gz APZYPXDLBZOVHC-GFCCVEGCSA-N 1 0 364.402 0.918 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391688 1196719340 /nfs/dbraw/zinc/71/93/40/1196719340.db2.gz BYWOXEZJGYPSMG-XQQFMLRXSA-N 1 0 366.422 0.105 10 5 FCBERO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603095 1196728325 /nfs/dbraw/zinc/72/83/25/1196728325.db2.gz IOLFMHAMOLDPRB-JKSUJKDBSA-N 1 0 362.430 0.682 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1=O ZINC000593235343 1196766130 /nfs/dbraw/zinc/76/61/30/1196766130.db2.gz OGUYLGVJKWHIGF-UHFFFAOYSA-N 1 0 364.358 0.170 10 5 FCBERO C[NH+](C)CCN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1=O ZINC000593486394 1196791239 /nfs/dbraw/zinc/79/12/39/1196791239.db2.gz VMUWNJMQVZFYIH-UHFFFAOYSA-N 1 0 360.374 0.454 10 5 FCBERO CCOC(=O)c1ccnc(N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593486152 1196791676 /nfs/dbraw/zinc/79/16/76/1196791676.db2.gz MXTVKGGLXASJEA-UHFFFAOYSA-N 1 0 365.390 0.377 10 5 FCBERO CCO[C@H](CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C[NH+](C)C ZINC001133575023 1202989717 /nfs/dbraw/zinc/98/97/17/1202989717.db2.gz OIXLGSVVWLUPFI-CYBMUJFWSA-N 1 0 362.390 0.872 10 5 FCBERO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCn3ccnn3)c2)CC1 ZINC001134200664 1203018227 /nfs/dbraw/zinc/01/82/27/1203018227.db2.gz UBZABUCVGZLDHP-UHFFFAOYSA-N 1 0 359.390 0.967 10 5 FCBERO COc1ccc(OCC[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC001196829899 1208109335 /nfs/dbraw/zinc/10/93/35/1208109335.db2.gz HUNNUTAMPCHIFW-CALCHBBNSA-N 1 0 363.370 0.967 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001198755441 1208288731 /nfs/dbraw/zinc/28/87/31/1208288731.db2.gz YUHFXKFRRQNAQB-STQMWFEESA-N 1 0 367.402 0.855 10 5 FCBERO CN(C(=O)C1([NH+](C)C)CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001487561105 1208379399 /nfs/dbraw/zinc/37/93/99/1208379399.db2.gz NTKFQSOPXZOXND-ZIAGYGMSSA-N 1 0 352.435 0.585 10 5 FCBERO CN(C(=O)CCCC[NH+](C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001487561329 1208379472 /nfs/dbraw/zinc/37/94/72/1208379472.db2.gz RDUVUWOBRCUPBH-HUUCEWRRSA-N 1 0 354.451 0.833 10 5 FCBERO Cc1nn(C)cc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001490467856 1209355113 /nfs/dbraw/zinc/35/51/13/1209355113.db2.gz ZBPYXUHQPOMOJR-HZPDHXFCSA-N 1 0 364.450 0.018 10 5 FCBERO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863571302 1209945197 /nfs/dbraw/zinc/94/51/97/1209945197.db2.gz VINAHHXNXVYRIG-AEFFLSMTSA-N 1 0 365.430 0.834 10 5 FCBERO C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC001119679228 1221949728 /nfs/dbraw/zinc/94/97/28/1221949728.db2.gz FPRAHQGEFXKPMS-KDOFPFPSSA-N 1 0 360.414 0.664 10 5 FCBERO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCCC[N@H+]1CCO ZINC000833566042 1222556574 /nfs/dbraw/zinc/55/65/74/1222556574.db2.gz PWZJLUCVXNPQIG-OAHLLOKOSA-N 1 0 361.402 0.908 10 5 FCBERO CC(C)C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001163605952 1223232950 /nfs/dbraw/zinc/23/29/50/1223232950.db2.gz QHVYQJVAPBDYID-NEPJUHHUSA-N 1 0 365.438 0.956 10 5 FCBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001335257401 1259572418 /nfs/dbraw/zinc/57/24/18/1259572418.db2.gz XRSWGQLUGMSOLI-UHFFFAOYSA-N 1 0 350.375 0.177 10 5 FCBERO CC(C)[N@H+](C)CC(=O)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001281358705 1261114087 /nfs/dbraw/zinc/11/40/87/1261114087.db2.gz KERFUTHFBGNYIA-HUUCEWRRSA-N 1 0 366.462 0.879 10 5 FCBERO O=C(NCCC1=CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001288711741 1262031099 /nfs/dbraw/zinc/03/10/99/1262031099.db2.gz XQWCTDWYJYVZGP-HUUCEWRRSA-N 1 0 362.430 0.412 10 5 FCBERO C[NH+]1CCN(c2ccc(CCNC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001289899211 1262365535 /nfs/dbraw/zinc/36/55/35/1262365535.db2.gz WYZKBMLWFUWJEY-UHFFFAOYSA-N 1 0 373.417 0.297 10 5 FCBERO C[N@H+](CCc1ccccc1)CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001297047662 1262847487 /nfs/dbraw/zinc/84/74/87/1262847487.db2.gz SUFZHBSSSUTMMA-HZPDHXFCSA-N 1 0 360.414 0.153 10 5 FCBERO O=C(NCCN1CC[NH+](Cc2ccc(CO)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479931333 1263417111 /nfs/dbraw/zinc/41/71/11/1263417111.db2.gz WIUFFVDTXMTDGS-IAGOWNOFSA-N 1 0 362.430 0.078 10 5 FCBERO CN(CCC[N@H+](C)CC(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484741975 1263485635 /nfs/dbraw/zinc/48/56/35/1263485635.db2.gz LENSELLPXYQVKY-HUUCEWRRSA-N 1 0 354.451 0.881 10 5 FCBERO Cn1nncc1C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001317366197 1263509435 /nfs/dbraw/zinc/50/94/35/1263509435.db2.gz KLRHHAUXVLVCSJ-HZPDHXFCSA-N 1 0 358.402 0.429 10 5 FCBERO Cc1nc(C)n(CC[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001319019296 1263640957 /nfs/dbraw/zinc/64/09/57/1263640957.db2.gz RNMIRMSQELNFJG-HZPDHXFCSA-N 1 0 364.450 0.778 10 5 FCBERO NC(=O)c1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1 ZINC001495915893 1263844822 /nfs/dbraw/zinc/84/48/22/1263844822.db2.gz ASKNUICNZACPRO-HUUCEWRRSA-N 1 0 360.414 0.969 10 5 FCBERO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001506883116 1264345598 /nfs/dbraw/zinc/34/55/98/1264345598.db2.gz DOWNDCPFNZXSRC-JUDXGUMMSA-N 1 0 364.377 0.914 10 5 FCBERO C[NH+](C)CCCCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001509786343 1264467770 /nfs/dbraw/zinc/46/77/70/1264467770.db2.gz YGFOXMOQCWHUSA-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001326857887 1265185371 /nfs/dbraw/zinc/18/53/71/1265185371.db2.gz GHECJERDIQSZEA-UXIGCNINSA-N 1 0 364.402 0.594 10 5 FCBERO CC(C)[NH+]1CCC(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC001545914366 1267628899 /nfs/dbraw/zinc/62/88/99/1267628899.db2.gz JQWGLZVEYKAOMS-UHFFFAOYSA-N 1 0 350.423 0.949 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC001558043595 1269010739 /nfs/dbraw/zinc/01/07/39/1269010739.db2.gz OMNMIMNKQUBKLC-QGZVFWFLSA-N 1 0 359.386 0.919 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001565586099 1269479299 /nfs/dbraw/zinc/47/92/99/1269479299.db2.gz HDLMCQHFEWDDHK-UHFFFAOYSA-N 1 0 366.422 0.159 10 5 FCBERO C[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001566166384 1269619123 /nfs/dbraw/zinc/61/91/23/1269619123.db2.gz FKEODUSELJXVDC-MWLCHTKSSA-N 1 0 356.404 0.455 10 5 FCBERO CC(C)(C)NC(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001571669330 1269949920 /nfs/dbraw/zinc/94/99/20/1269949920.db2.gz XHTCANLPKINCNG-ZIAGYGMSSA-N 1 0 366.462 0.927 10 5 FCBERO CCC[N@H+](C)CCC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001572039242 1269989286 /nfs/dbraw/zinc/98/92/86/1269989286.db2.gz QYMGZDPHBQQSKB-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO CCC[N@H+](C)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001572042590 1269989418 /nfs/dbraw/zinc/98/94/18/1269989418.db2.gz KYXAQZQFDOYBLH-DTDBQYNISA-N 1 0 366.462 0.690 10 5 FCBERO C[NH+](C)C1(C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 ZINC001572714488 1270110792 /nfs/dbraw/zinc/11/07/92/1270110792.db2.gz CFJXUVBOPSPAOI-CHWSQXEVSA-N 1 0 352.435 0.539 10 5 FCBERO CN(CCN1CC[NH+](CCc2ccccc2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713743006 1287294814 /nfs/dbraw/zinc/29/48/14/1287294814.db2.gz RZMQERHMSQEFQZ-QZTJIDSGSA-N 1 0 360.458 0.970 10 5 FCBERO CC(C)N(CC(F)(F)F)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714704245 1287331197 /nfs/dbraw/zinc/33/11/97/1287331197.db2.gz QHOGWFAKIBLGFG-GHMZBOCLSA-N 1 0 368.356 0.499 10 5 FCBERO CN(C(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1)C1CC1 ZINC001717523364 1287428386 /nfs/dbraw/zinc/42/83/86/1287428386.db2.gz OPBYNDCVAMHAGV-ZIAGYGMSSA-N 1 0 352.435 0.681 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001587975806 1282390314 /nfs/dbraw/zinc/39/03/14/1282390314.db2.gz ODGSBWKZMPFWMD-LRDDRELGSA-N 1 0 368.438 0.352 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC001636277749 1282478417 /nfs/dbraw/zinc/47/84/17/1282478417.db2.gz APYYPCUHLAUJRY-KRWDZBQOSA-N 1 0 359.386 0.919 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC001636277750 1282478868 /nfs/dbraw/zinc/47/88/68/1282478868.db2.gz APYYPCUHLAUJRY-QGZVFWFLSA-N 1 0 359.386 0.919 10 5 FCBERO O=Cc1ccc(OCC(=O)N[C@H](CO)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001638118434 1282659707 /nfs/dbraw/zinc/65/97/07/1282659707.db2.gz JDSQQNBOUZCZQO-ZDUSSCGKSA-N 1 0 351.359 0.359 10 5 FCBERO CC[NH+](CC)CC(=O)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001718851866 1287590714 /nfs/dbraw/zinc/59/07/14/1287590714.db2.gz RKTJCZGJRODJEH-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001639068228 1282745231 /nfs/dbraw/zinc/74/52/31/1282745231.db2.gz HQNRTPCEPKWWIF-BBRMVZONSA-N 1 0 364.450 0.940 10 5 FCBERO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001641111473 1282923448 /nfs/dbraw/zinc/92/34/48/1282923448.db2.gz VLUNLNYGGMBLLQ-HNNXBMFYSA-N 1 0 351.403 0.980 10 5 FCBERO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001641851622 1282975841 /nfs/dbraw/zinc/97/58/41/1282975841.db2.gz UQIRRKKLLSODMP-UHFFFAOYSA-N 1 0 352.391 0.085 10 5 FCBERO CC(C)C[NH2+]C1(CO)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001642402696 1283003824 /nfs/dbraw/zinc/00/38/24/1283003824.db2.gz FCBCOVYDJCBCOQ-UHFFFAOYSA-N 1 0 353.423 0.781 10 5 FCBERO COCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001705309373 1286377876 /nfs/dbraw/zinc/37/78/76/1286377876.db2.gz BIHYKYOZQLWVGK-HUUCEWRRSA-N 1 0 370.450 0.069 10 5 FCBERO C[NH+]1CCC(CCO)(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC001598428445 1286392438 /nfs/dbraw/zinc/39/24/38/1286392438.db2.gz OYICWPYMRJZHRH-UHFFFAOYSA-N 1 0 374.401 0.752 10 5 FCBERO O=C(NCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)C1CC1 ZINC001733290105 1288607696 /nfs/dbraw/zinc/60/76/96/1288607696.db2.gz BHIBKUHLNFYTIV-HUUCEWRRSA-N 1 0 364.446 0.492 10 5 FCBERO CCCNC(=O)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733917774 1288637112 /nfs/dbraw/zinc/63/71/12/1288637112.db2.gz FHXZJQCFMFVEMO-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737424869 1289548265 /nfs/dbraw/zinc/54/82/65/1289548265.db2.gz HCDUBYZSSJBDFO-XJFOESAGSA-N 1 0 352.435 0.584 10 5 FCBERO CN(CCC[N@H+](C)CC(=O)N(C)CC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700186282 1289586881 /nfs/dbraw/zinc/58/68/81/1289586881.db2.gz ZIDLEXZXEVZIIQ-GHMZBOCLSA-N 1 0 368.356 0.453 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001737860092 1289599157 /nfs/dbraw/zinc/59/91/57/1289599157.db2.gz UPQSNSYHSFLJJS-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO C[N@@H+]1CCC[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001616954939 1289807040 /nfs/dbraw/zinc/80/70/40/1289807040.db2.gz ZQXGCHQUFFFLFV-GFCCVEGCSA-N 1 0 370.431 0.331 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001618658740 1289927119 /nfs/dbraw/zinc/92/71/19/1289927119.db2.gz RYVNAISFQBDPFC-QGZVFWFLSA-N 1 0 359.386 0.695 10 5 FCBERO NC(=O)c1ccc(CN2CC[NH+](CCCCCO)CC2)c([N+](=O)[O-])c1 ZINC001620463251 1289989994 /nfs/dbraw/zinc/98/99/94/1289989994.db2.gz ZHHRIUHBXJBWIU-UHFFFAOYSA-N 1 0 350.419 0.974 10 5 FCBERO COC(=O)C1CC[NH+](CCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001627173012 1290442656 /nfs/dbraw/zinc/44/26/56/1290442656.db2.gz HKDGKWMJVLNTEO-UHFFFAOYSA-N 1 0 373.797 0.976 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001628582061 1290543095 /nfs/dbraw/zinc/54/30/95/1290543095.db2.gz QAIOXXHOHWYDPA-UHFFFAOYSA-N 1 0 351.407 0.861 10 5 FCBERO C[NH+](C)Cc1ccsc1C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001747783417 1290588659 /nfs/dbraw/zinc/58/86/59/1290588659.db2.gz UCEWEIJQHJZYMK-VXGBXAGGSA-N 1 0 366.443 0.854 10 5 FCBERO CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCS(=O)(=O)C1 ZINC001630641038 1290685066 /nfs/dbraw/zinc/68/50/66/1290685066.db2.gz XOAAGCFDPJQDPO-GFCCVEGCSA-N 1 0 370.431 0.368 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001643209204 1290860384 /nfs/dbraw/zinc/86/03/84/1290860384.db2.gz YDMUTHONWSQABB-INIZCTEOSA-N 1 0 351.359 0.505 10 5 FCBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001643208867 1290861511 /nfs/dbraw/zinc/86/15/11/1290861511.db2.gz SRQMEWXWPQJEGI-OAHLLOKOSA-N 1 0 352.347 0.950 10 5 FCBERO COc1ccccc1C[C@@](C)(CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644309225 1290954939 /nfs/dbraw/zinc/95/49/39/1290954939.db2.gz YLRBUGQSYHHDCX-WBVHZDCISA-N 1 0 364.402 0.744 10 5 FCBERO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC001644448776 1290962328 /nfs/dbraw/zinc/96/23/28/1290962328.db2.gz LGXKOLHRMAIKQU-LLVKDONJSA-N 1 0 353.404 0.957 10 5 FCBERO CNC(=O)CN1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001652306783 1291273923 /nfs/dbraw/zinc/27/39/23/1291273923.db2.gz DHUPNQQZKUFIGR-UHFFFAOYSA-N 1 0 373.413 0.830 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001653333261 1291336157 /nfs/dbraw/zinc/33/61/57/1291336157.db2.gz MPKBPQOTFFKCKI-STQMWFEESA-N 1 0 351.407 0.942 10 5 FCBERO CN(Cc1cnn(C)c1)C(=O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654504375 1291415844 /nfs/dbraw/zinc/41/58/44/1291415844.db2.gz XVOREMIRFMFIBM-KRWDZBQOSA-N 1 0 361.402 0.784 10 5 FCBERO COC(=O)[C@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OC ZINC001655080108 1291454816 /nfs/dbraw/zinc/45/48/16/1291454816.db2.gz ZIJICMIFIFJIDO-KBPBESRZSA-N 1 0 352.343 0.868 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@H]1CO ZINC001655118581 1291456862 /nfs/dbraw/zinc/45/68/62/1291456862.db2.gz OBCXNXZYFITOMR-ZDUSSCGKSA-N 1 0 352.391 0.540 10 5 FCBERO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001659824547 1291644544 /nfs/dbraw/zinc/64/45/44/1291644544.db2.gz GTXYBMPMHBLXLJ-TXEJJXNPSA-N 1 0 360.370 0.778 10 5 FCBERO COC(=O)[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001660611732 1291665377 /nfs/dbraw/zinc/66/53/77/1291665377.db2.gz IPAIMYPUAWHCPN-VXGBXAGGSA-N 1 0 352.343 0.868 10 5 FCBERO Cc1ccc(CNC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001661421579 1291692232 /nfs/dbraw/zinc/69/22/32/1291692232.db2.gz DIVSMLMDUWOABY-KLHDSHLOSA-N 1 0 360.414 0.513 10 5 FCBERO CCc1nc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc1C ZINC001663924550 1291773102 /nfs/dbraw/zinc/77/31/02/1291773102.db2.gz XGMHYQGDIBKNNF-ZYHUDNBSSA-N 1 0 369.447 0.666 10 5 FCBERO CCOC(=O)C1=C(C[N+]23CCN(CC2)CC3)NC(=O)N[C@H]1c1ccco1 ZINC000030007813 717119465 /nfs/dbraw/zinc/11/94/65/717119465.db2.gz UFTUFAMSYGOUFO-INIZCTEOSA-O 1 0 361.422 0.597 10 5 FCBERO CS(=O)(=O)c1cc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc([N+](=O)[O-])c1 ZINC001118168263 847306666 /nfs/dbraw/zinc/30/66/66/847306666.db2.gz WQWNQOQAPCNLPN-UHFFFAOYSA-N 1 0 353.400 0.966 10 5 FCBERO C[NH+](C)C1(CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCC1 ZINC001138298039 849307318 /nfs/dbraw/zinc/30/73/18/849307318.db2.gz CQSAGBSPTNHBTI-UHFFFAOYSA-N 1 0 356.404 0.456 10 5 FCBERO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001141654309 849403883 /nfs/dbraw/zinc/40/38/83/849403883.db2.gz QCOOCDIOOGEGBQ-GFCCVEGCSA-N 1 0 352.347 0.998 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC001196284404 852930570 /nfs/dbraw/zinc/93/05/70/852930570.db2.gz BLPWXHGOBOGPBS-BLLLJJGKSA-N 1 0 353.375 0.750 10 5 FCBERO CCN(C)C(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001279353407 862843290 /nfs/dbraw/zinc/84/32/90/862843290.db2.gz XSURPSRLOVJPOH-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001235837371 857432984 /nfs/dbraw/zinc/43/29/84/857432984.db2.gz SHKKGPIMEBGWDD-RRFJBIMHSA-N 1 0 352.391 0.383 10 5 FCBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(=O)n2ccsc2n1 ZINC001265845185 859468410 /nfs/dbraw/zinc/46/84/10/859468410.db2.gz GHTSGURVCUTIFC-VXGBXAGGSA-N 1 0 365.415 0.359 10 5 FCBERO O=C(NCCN1CC[NH+](CC2CC3(CCC3)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266283091 859476076 /nfs/dbraw/zinc/47/60/76/859476076.db2.gz DHSXEHBKPAXBIE-HZPDHXFCSA-N 1 0 350.463 0.966 10 5 FCBERO CN(CCC[NH2+]CC(=O)N1CCCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268790796 859542033 /nfs/dbraw/zinc/54/20/33/859542033.db2.gz IJMOXQYNEBKXIV-HUUCEWRRSA-N 1 0 354.451 0.882 10 5 FCBERO Cc1noc(CCC[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001281489846 863523406 /nfs/dbraw/zinc/52/34/06/863523406.db2.gz QQMGKMYVFOSFHZ-CHWSQXEVSA-N 1 0 351.407 0.947 10 5 FCBERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001293650099 865800202 /nfs/dbraw/zinc/80/02/02/865800202.db2.gz IJDZTSUBTCXWFQ-LLVKDONJSA-N 1 0 370.431 0.656 10 5 FCBERO CCOC(=O)c1cc(C(=O)N2CCN(C)C[C@H]2CO)cc([N+](=O)[O-])c1 ZINC001301605542 866274058 /nfs/dbraw/zinc/27/40/58/866274058.db2.gz QBWXZIKHCKUOBI-AWEZNQCLSA-N 1 0 351.359 0.520 10 5 FCBERO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001302569639 866340301 /nfs/dbraw/zinc/34/03/01/866340301.db2.gz JXBMRAKRUPHMLU-RYUDHWBXSA-N 1 0 368.415 0.408 10 5 FCBERO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC001303050268 866376500 /nfs/dbraw/zinc/37/65/00/866376500.db2.gz QNALZZQODUJZFG-CYBMUJFWSA-N 1 0 351.407 0.449 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC001317075936 867518203 /nfs/dbraw/zinc/51/82/03/867518203.db2.gz JLKOATJAKKKKNR-KBUPBQIOSA-N 1 0 352.435 0.585 10 5 FCBERO CC(C)(C)NC(=O)NCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001317552963 867540406 /nfs/dbraw/zinc/54/04/06/867540406.db2.gz OIMMRELZLFILEN-CHWSQXEVSA-N 1 0 355.439 0.330 10 5 FCBERO Cc1noc(CCC[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001318953424 867787385 /nfs/dbraw/zinc/78/73/85/867787385.db2.gz REGVVEBNAZEBKG-AAVRWANBSA-N 1 0 351.407 0.993 10 5 FCBERO C[NH+]1CCC(NC(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)CC1 ZINC001329722446 872205402 /nfs/dbraw/zinc/20/54/02/872205402.db2.gz GCFXLIJMCUMTRK-UHFFFAOYSA-N 1 0 373.207 0.729 10 5 FCBERO Cc1csc(NC(=O)C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001330594862 872723809 /nfs/dbraw/zinc/72/38/09/872723809.db2.gz PHXXYEOKMVJHDB-DDHJBXDOSA-N 1 0 367.431 0.540 10 5 FCBERO CCS(=O)(=O)CCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331017183 872916357 /nfs/dbraw/zinc/91/63/57/872916357.db2.gz WGNCXVFINUIKTP-ZIAGYGMSSA-N 1 0 361.464 0.399 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001331146855 872981783 /nfs/dbraw/zinc/98/17/83/872981783.db2.gz KPCDDCDQSRKSHM-CQSZACIVSA-N 1 0 351.407 0.547 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccncc2OCCC[NH+](C)C)n1 ZINC000290756750 213989757 /nfs/dbraw/zinc/98/97/57/213989757.db2.gz ZIHSBQPTBPEBIU-UHFFFAOYSA-N 1 0 362.390 0.984 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265334955 210098408 /nfs/dbraw/zinc/09/84/08/210098408.db2.gz WUTMPVVDKQCSNN-GFCCVEGCSA-N 1 0 370.431 0.855 10 5 FCBERO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC2(C)COC2)c([N+](=O)[O-])c1 ZINC000264900922 210011599 /nfs/dbraw/zinc/01/15/99/210011599.db2.gz KBWRIYALKCVPDV-UHFFFAOYSA-N 1 0 372.447 0.883 10 5 FCBERO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285194731 213301446 /nfs/dbraw/zinc/30/14/46/213301446.db2.gz VNVMYHQZKZOQKX-HUUCEWRRSA-N 1 0 355.416 0.830 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262031470 209514047 /nfs/dbraw/zinc/51/40/47/209514047.db2.gz PLQYGVWZLVKRLW-LBPRGKRZSA-N 1 0 361.324 0.864 10 5 FCBERO CN(C)C(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374768021 217170603 /nfs/dbraw/zinc/17/06/03/217170603.db2.gz PHNCJXLAKMFGLU-UHFFFAOYSA-N 1 0 367.381 0.552 10 5 FCBERO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000182895051 209139554 /nfs/dbraw/zinc/13/95/54/209139554.db2.gz SJMVPLFMQYPZNO-LLVKDONJSA-N 1 0 361.395 0.993 10 5 FCBERO Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000181690930 209120239 /nfs/dbraw/zinc/12/02/39/209120239.db2.gz OTDIYLJIDDUIGG-ZDUSSCGKSA-N 1 0 369.378 0.803 10 5 FCBERO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000418708090 245816157 /nfs/dbraw/zinc/81/61/57/245816157.db2.gz UCKFTVBEVPHFOX-NXEZZACHSA-N 1 0 355.420 0.859 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000419327361 246101970 /nfs/dbraw/zinc/10/19/70/246101970.db2.gz CTTRFIASPWZSBZ-ZIAGYGMSSA-N 1 0 362.430 0.871 10 5 FCBERO COc1cc(OCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000452390206 249316541 /nfs/dbraw/zinc/31/65/41/249316541.db2.gz NUIBFQPFLNVUNY-ZDUSSCGKSA-N 1 0 367.402 0.945 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000270860613 211284879 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GWWJKMRMOXSRKH-DZGCQCFKSA-N 1 0 351.407 0.169 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000131360564 488644984 /nfs/dbraw/zinc/64/49/84/488644984.db2.gz VRBKLCLFPOKKOE-CQSZACIVSA-N 1 0 350.419 0.946 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000273448533 488651532 /nfs/dbraw/zinc/65/15/32/488651532.db2.gz CJJDKDOHFHLZSA-NSHDSACASA-N 1 0 371.415 0.954 10 5 FCBERO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000563158391 491223215 /nfs/dbraw/zinc/22/32/15/491223215.db2.gz MHAXYOROQNUBHV-LBPRGKRZSA-N 1 0 368.415 0.226 10 5 FCBERO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171934528 488828918 /nfs/dbraw/zinc/82/89/18/488828918.db2.gz TUMHVIRZZMQZGF-UHFFFAOYSA-N 1 0 361.406 0.611 10 5 FCBERO O=C(CN1CC[C@@H](N2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173985980 488846732 /nfs/dbraw/zinc/84/67/32/488846732.db2.gz BIHICJHRZWQYRY-MRXNPFEDSA-N 1 0 360.414 0.890 10 5 FCBERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000174084556 488847476 /nfs/dbraw/zinc/84/74/76/488847476.db2.gz PSOBZGCDQDYLHV-HOTGVXAUSA-N 1 0 353.419 0.723 10 5 FCBERO CN1CCN(C(=O)CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000174855511 488851508 /nfs/dbraw/zinc/85/15/08/488851508.db2.gz GZPIQUQSESYOSX-UHFFFAOYSA-N 1 0 364.450 0.667 10 5 FCBERO O=c1nc(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH][nH]1 ZINC000280927353 489041696 /nfs/dbraw/zinc/04/16/96/489041696.db2.gz GUGFUTWOHCXMQL-CYBMUJFWSA-N 1 0 363.374 0.626 10 5 FCBERO CS(=O)(=O)NCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000285506778 489319598 /nfs/dbraw/zinc/31/95/98/489319598.db2.gz QMJPKVXSIDOXIV-UHFFFAOYSA-N 1 0 358.420 0.018 10 5 FCBERO CN(C)C(=O)CN1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363287287 489448733 /nfs/dbraw/zinc/44/87/33/489448733.db2.gz CYGCGQFUGSKGLU-UHFFFAOYSA-N 1 0 364.402 0.596 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000420444360 489977659 /nfs/dbraw/zinc/97/76/59/489977659.db2.gz CPHVVRRKYVKCHW-RNCFNFMXSA-N 1 0 355.372 0.364 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)n1 ZINC000535024757 490440420 /nfs/dbraw/zinc/44/04/20/490440420.db2.gz WWYWSEJXNRZGPI-UHFFFAOYSA-N 1 0 355.395 0.674 10 5 FCBERO C[NH+](C)CCCOc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000487447441 490713185 /nfs/dbraw/zinc/71/31/85/490713185.db2.gz RWBTWWBHGPWWGQ-UHFFFAOYSA-N 1 0 362.390 0.833 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNc1cc[nH+]cc1 ZINC000488532849 490763892 /nfs/dbraw/zinc/76/38/92/490763892.db2.gz OGIDJYXLCUYMTK-CYBMUJFWSA-N 1 0 361.406 0.872 10 5 FCBERO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000516182836 490855056 /nfs/dbraw/zinc/85/50/56/490855056.db2.gz RRRIUAGLOSNMPS-UHFFFAOYSA-N 1 0 368.415 0.309 10 5 FCBERO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000566850553 491470729 /nfs/dbraw/zinc/47/07/29/491470729.db2.gz HNOALRKLXWPAPI-JTQLQIEISA-N 1 0 357.310 0.386 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000575749007 491558174 /nfs/dbraw/zinc/55/81/74/491558174.db2.gz KVUVFHMFXGCJIF-CVEARBPZSA-N 1 0 353.419 0.771 10 5 FCBERO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577743068 491647608 /nfs/dbraw/zinc/64/76/08/491647608.db2.gz DOUGKYFDXPITNZ-NEPJUHHUSA-N 1 0 358.416 0.890 10 5 FCBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000569472971 491664684 /nfs/dbraw/zinc/66/46/84/491664684.db2.gz UCUPQLJVBRLWNV-ZDUSSCGKSA-N 1 0 352.391 0.742 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590442697 491776652 /nfs/dbraw/zinc/77/66/52/491776652.db2.gz ADZXFORLQOPHFK-DZGCQCFKSA-N 1 0 361.402 0.557 10 5 FCBERO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590565001 491779512 /nfs/dbraw/zinc/77/95/12/491779512.db2.gz IJUUUKQOZGPDOK-UONOGXRCSA-N 1 0 350.375 0.078 10 5 FCBERO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cn2)(N2CCOCC2)CC1 ZINC000581712829 491783537 /nfs/dbraw/zinc/78/35/37/491783537.db2.gz FZCRXIUQUXSVPE-UHFFFAOYSA-N 1 0 363.418 0.516 10 5 FCBERO COc1cc(C[NH2+]C[C@]2(OCCO)CCOC2)c([N+](=O)[O-])cc1OC ZINC000594973544 491873958 /nfs/dbraw/zinc/87/39/58/491873958.db2.gz FNSNGJIJDWEMPZ-MRXNPFEDSA-N 1 0 356.375 0.870 10 5 FCBERO COc1ccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000600693725 491876334 /nfs/dbraw/zinc/87/63/34/491876334.db2.gz HEGPNKHYADEINC-LBPRGKRZSA-N 1 0 350.375 0.544 10 5 FCBERO O=C(N1CC[NH2+]CC1)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000600715410 491878320 /nfs/dbraw/zinc/87/83/20/491878320.db2.gz XZIFXBRPYXJVTB-UHFFFAOYSA-N 1 0 363.418 0.616 10 5 FCBERO O=C(N1CC[NH2+]CC1)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600714486 491878377 /nfs/dbraw/zinc/87/83/77/491878377.db2.gz SPRZDDIGCVFACH-UHFFFAOYSA-N 1 0 363.418 0.616 10 5 FCBERO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595215746 491902448 /nfs/dbraw/zinc/90/24/48/491902448.db2.gz OUXWOECYDVZEKS-OAHLLOKOSA-N 1 0 362.386 0.591 10 5 FCBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595243901 491907270 /nfs/dbraw/zinc/90/72/70/491907270.db2.gz YZZQMCNXXHLCLD-GHMZBOCLSA-N 1 0 354.338 0.830 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595273808 491910046 /nfs/dbraw/zinc/91/00/46/491910046.db2.gz KEYQWODRKJIOLP-CHWSQXEVSA-N 1 0 374.394 0.449 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595885413 491959027 /nfs/dbraw/zinc/95/90/27/491959027.db2.gz NLWVUMWEGJEPME-MRXNPFEDSA-N 1 0 360.414 0.874 10 5 FCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000595912256 491960998 /nfs/dbraw/zinc/96/09/98/491960998.db2.gz XVKOZPALEJISAL-AWEZNQCLSA-N 1 0 374.449 0.804 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595942897 491962927 /nfs/dbraw/zinc/96/29/27/491962927.db2.gz MHNOOEUZEOCLSP-UHFFFAOYSA-N 1 0 368.415 0.213 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595942933 491962994 /nfs/dbraw/zinc/96/29/94/491962994.db2.gz NPMCUDGBLWCQOT-UHFFFAOYSA-N 1 0 352.778 0.928 10 5 FCBERO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000595951996 491964216 /nfs/dbraw/zinc/96/42/16/491964216.db2.gz VHXPZHMWCNGKHX-UHFFFAOYSA-N 1 0 352.778 0.846 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595987911 491969603 /nfs/dbraw/zinc/96/96/03/491969603.db2.gz CXTYTBRDAOMEBY-CHWSQXEVSA-N 1 0 374.394 0.161 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 ZINC000596566205 491991360 /nfs/dbraw/zinc/99/13/60/491991360.db2.gz HEZCFBJUSBZTLY-GFCCVEGCSA-N 1 0 372.447 0.789 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000596567366 491991401 /nfs/dbraw/zinc/99/14/01/491991401.db2.gz LXBSDJBHKBKPBN-LBPRGKRZSA-N 1 0 372.447 0.789 10 5 FCBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000597188099 492021520 /nfs/dbraw/zinc/02/15/20/492021520.db2.gz UDNVMOZPPHSIMG-ABAIWWIYSA-N 1 0 368.342 0.567 10 5 FCBERO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000597878661 492071785 /nfs/dbraw/zinc/07/17/85/492071785.db2.gz SLVWXLHMWCLLJU-UHFFFAOYSA-N 1 0 351.407 0.799 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000597989190 492076341 /nfs/dbraw/zinc/07/63/41/492076341.db2.gz CPULTEKHBCWATH-AWEZNQCLSA-N 1 0 360.374 0.069 10 5 FCBERO COCC[N@@H+]1CCC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592060 492105929 /nfs/dbraw/zinc/10/59/29/492105929.db2.gz DMLCKKROBGWFET-CYBMUJFWSA-N 1 0 366.422 0.744 10 5 FCBERO CCO[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000598668938 492112697 /nfs/dbraw/zinc/11/26/97/492112697.db2.gz UTDYTNKEJNFAKN-BXUZGUMPSA-N 1 0 365.390 0.539 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]C[C@@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599004974 492130030 /nfs/dbraw/zinc/13/00/30/492130030.db2.gz XTXUIXRPAAKOHT-CYBMUJFWSA-N 1 0 353.375 0.567 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000599103990 492135540 /nfs/dbraw/zinc/13/55/40/492135540.db2.gz YYPMZOUEVMVECH-AAEUAGOBSA-N 1 0 373.435 0.235 10 5 FCBERO [NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCOCC1 ZINC000599102146 492135648 /nfs/dbraw/zinc/13/56/48/492135648.db2.gz GUSWFCBNWPCQBI-UHFFFAOYSA-N 1 0 366.399 0.929 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000599230503 492145966 /nfs/dbraw/zinc/14/59/66/492145966.db2.gz PIFQGNKXAQEEDA-LBPRGKRZSA-N 1 0 357.436 0.967 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000617405666 492166717 /nfs/dbraw/zinc/16/67/17/492166717.db2.gz MRXYOJABBISIGD-LBPRGKRZSA-N 1 0 350.423 0.710 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000617405665 492166729 /nfs/dbraw/zinc/16/67/29/492166729.db2.gz MRXYOJABBISIGD-GFCCVEGCSA-N 1 0 350.423 0.710 10 5 FCBERO CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609357454 492207065 /nfs/dbraw/zinc/20/70/65/492207065.db2.gz KHDZRMAJEXRYJO-CQSZACIVSA-N 1 0 363.418 0.852 10 5 FCBERO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599898256 492215808 /nfs/dbraw/zinc/21/58/08/492215808.db2.gz QKYNNRSVKPDRLW-GFCCVEGCSA-N 1 0 364.402 0.935 10 5 FCBERO COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000599903817 492216693 /nfs/dbraw/zinc/21/66/93/492216693.db2.gz MQJOYXCFJIFITL-GXSJLCMTSA-N 1 0 364.358 0.495 10 5 FCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007069 492228323 /nfs/dbraw/zinc/22/83/23/492228323.db2.gz OMESDYZGIWUWFD-UHFFFAOYSA-N 1 0 351.407 0.895 10 5 FCBERO CN(CC(=O)N[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609988428 492230244 /nfs/dbraw/zinc/23/02/44/492230244.db2.gz IVYYLJGUGWUBRC-GFCCVEGCSA-N 1 0 370.431 0.426 10 5 FCBERO C[NH+](C)CCN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1=O ZINC000593485624 546709415 /nfs/dbraw/zinc/70/94/15/546709415.db2.gz AEJIACIOJBKIHR-UHFFFAOYSA-N 1 0 350.404 0.810 10 5 FCBERO C[NH+]1CCC2(CC1)CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000592898617 546960213 /nfs/dbraw/zinc/96/02/13/546960213.db2.gz KEAXNAKVOGEPMF-UHFFFAOYSA-N 1 0 350.375 0.080 10 5 FCBERO CC(C)c1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872877 546960424 /nfs/dbraw/zinc/96/04/24/546960424.db2.gz MMVAMPAOFOXAFM-SNVBAGLBSA-N 1 0 352.395 0.633 10 5 FCBERO COC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000593339240 546967854 /nfs/dbraw/zinc/96/78/54/546967854.db2.gz GNZYAWGBWBPOLP-LBPRGKRZSA-N 1 0 353.375 0.369 10 5 FCBERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593568567 546977514 /nfs/dbraw/zinc/97/75/14/546977514.db2.gz UQIQUVIGCPAYOJ-KWCYVHTRSA-N 1 0 370.431 0.862 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027869 546995841 /nfs/dbraw/zinc/99/58/41/546995841.db2.gz SZTMHGDSPZNVKO-QWHCGFSZSA-N 1 0 350.375 0.293 10 5 FCBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594219296 546996773 /nfs/dbraw/zinc/99/67/73/546996773.db2.gz AUDVDFSJUXDTME-UONOGXRCSA-N 1 0 350.375 0.434 10 5 FCBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594531441 547000954 /nfs/dbraw/zinc/00/09/54/547000954.db2.gz ATTZXYHLTQRMOX-JTQLQIEISA-N 1 0 364.280 0.938 10 5 FCBERO C[N@H+](CCO)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000925001617 664956498 /nfs/dbraw/zinc/95/64/98/664956498.db2.gz GQYWERRIUUMLAD-UHFFFAOYSA-N 1 0 360.208 0.940 10 5 FCBERO C[NH+]1CCC(CC(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000941007974 666572594 /nfs/dbraw/zinc/57/25/94/666572594.db2.gz WGNLAABZURJABQ-HUUCEWRRSA-N 1 0 352.435 0.444 10 5 FCBERO O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923573839 667850635 /nfs/dbraw/zinc/85/06/35/667850635.db2.gz CAZSGHTVYILPSV-HNNXBMFYSA-N 1 0 354.432 0.799 10 5 FCBERO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782512589 668565901 /nfs/dbraw/zinc/56/59/01/668565901.db2.gz IEJJDCUXULHWOW-NSHDSACASA-N 1 0 374.394 0.815 10 5 FCBERO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)N1CC[NH2+]CC1 ZINC000843346566 670802727 /nfs/dbraw/zinc/80/27/27/670802727.db2.gz JVMMBCDSBLYCLH-UHFFFAOYSA-N 1 0 369.809 0.550 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1=O ZINC000846365650 671105066 /nfs/dbraw/zinc/10/50/66/671105066.db2.gz WDDHTTOJXIUCOY-UHFFFAOYSA-N 1 0 353.354 0.162 10 5 FCBERO COc1cc(CCNC(=O)C2=NO[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000852807611 671526218 /nfs/dbraw/zinc/52/62/18/671526218.db2.gz WKKIWEDJZPDNLC-SNVBAGLBSA-N 1 0 352.347 0.374 10 5 FCBERO O=C(CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000857764632 671736967 /nfs/dbraw/zinc/73/69/67/671736967.db2.gz VELKKWSHMUMYMC-UHFFFAOYSA-N 1 0 358.301 0.114 10 5 FCBERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000858933598 671783867 /nfs/dbraw/zinc/78/38/67/671783867.db2.gz PSIJPTVGTHARJQ-RRFJBIMHSA-N 1 0 352.391 0.383 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000869131603 672423927 /nfs/dbraw/zinc/42/39/27/672423927.db2.gz NLYLQBXEVSLTFZ-UHFFFAOYSA-N 1 0 352.366 0.509 10 5 FCBERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001625875660 1171789311 /nfs/dbraw/zinc/78/93/11/1171789311.db2.gz HUXHBHPBASHWJE-NWDGAFQWSA-N 1 0 357.374 0.927 10 5 FCBERO CC[NH+]1CCN(c2ccc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])cn2)CC1 ZINC000548930656 1181347511 /nfs/dbraw/zinc/34/75/11/1181347511.db2.gz WDCUBILLYVJIHB-UHFFFAOYSA-N 1 0 359.390 0.785 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)Nc1nccs1 ZINC001482218179 1187849767 /nfs/dbraw/zinc/84/97/67/1187849767.db2.gz KNEREXVZXRCDIE-GHMZBOCLSA-N 1 0 367.431 0.765 10 5 FCBERO CC(C)(C)NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001269704314 1187863606 /nfs/dbraw/zinc/86/36/06/1187863606.db2.gz NWEQFSIHBWGWLY-ZIAGYGMSSA-N 1 0 366.462 0.881 10 5 FCBERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895679645 1189875044 /nfs/dbraw/zinc/87/50/44/1189875044.db2.gz HLTWDHAKOUWCBC-HNNXBMFYSA-N 1 0 361.402 0.359 10 5 FCBERO O=C(NCCN1CCC([NH2+]CCC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001271912823 1190757737 /nfs/dbraw/zinc/75/77/37/1190757737.db2.gz XXUIOZMESOWJEY-IAGOWNOFSA-N 1 0 368.478 0.639 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912924458 1196384356 /nfs/dbraw/zinc/38/43/56/1196384356.db2.gz WDFABGJNLAIVMU-CYBMUJFWSA-N 1 0 360.370 0.627 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000592872295 1196585340 /nfs/dbraw/zinc/58/53/40/1196585340.db2.gz LOOIAHTWFRYMSY-SNVBAGLBSA-N 1 0 370.356 0.994 10 5 FCBERO COc1ccc(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592873634 1196586255 /nfs/dbraw/zinc/58/62/55/1196586255.db2.gz POCSBTIGDDFWIS-GFCCVEGCSA-N 1 0 364.402 0.724 10 5 FCBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052717 1196605899 /nfs/dbraw/zinc/60/58/99/1196605899.db2.gz VCMOFFCGQZUTMU-ZDUSSCGKSA-N 1 0 363.418 0.628 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592523754 1196652522 /nfs/dbraw/zinc/65/25/22/1196652522.db2.gz APZYPXDLBZOVHC-LBPRGKRZSA-N 1 0 364.402 0.918 10 5 FCBERO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1OC ZINC000594392687 1196718820 /nfs/dbraw/zinc/71/88/20/1196718820.db2.gz JUXLZDSTBMYBLX-NWDGAFQWSA-N 1 0 365.386 0.893 10 5 FCBERO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392515 1196719244 /nfs/dbraw/zinc/71/92/44/1196719244.db2.gz HFRRRMXQCNTXIY-LSDHHAIUSA-N 1 0 357.370 0.672 10 5 FCBERO C[NH+](C)CCN1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1=O ZINC000593485729 1196791838 /nfs/dbraw/zinc/79/18/38/1196791838.db2.gz BRMPGGYZNRZFMX-UHFFFAOYSA-N 1 0 360.374 0.454 10 5 FCBERO CCO[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593916786 1196839649 /nfs/dbraw/zinc/83/96/49/1196839649.db2.gz PYZJHZYAORBOCC-UKRRQHHQSA-N 1 0 364.402 0.537 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027350 1196847379 /nfs/dbraw/zinc/84/73/79/1196847379.db2.gz NIABQOREODGZTO-KWCYVHTRSA-N 1 0 364.402 0.681 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC001135975105 1203113417 /nfs/dbraw/zinc/11/34/17/1203113417.db2.gz CCXNSRMDAPHDKS-UHFFFAOYSA-N 1 0 364.402 0.492 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1=O ZINC000844759755 1204434091 /nfs/dbraw/zinc/43/40/91/1204434091.db2.gz RYAWXANJYBCHLE-UHFFFAOYSA-N 1 0 365.346 0.349 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001144579399 1204550819 /nfs/dbraw/zinc/55/08/19/1204550819.db2.gz KUHFFEUNESYVRU-UHFFFAOYSA-N 1 0 363.418 0.803 10 5 FCBERO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001147775550 1204809449 /nfs/dbraw/zinc/80/94/49/1204809449.db2.gz KUNOIKWUGYIWOQ-UKRRQHHQSA-N 1 0 361.402 0.723 10 5 FCBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000863574826 1209945603 /nfs/dbraw/zinc/94/56/03/1209945603.db2.gz GRAADJMHMBSUTC-ZFWWWQNUSA-N 1 0 369.385 0.934 10 5 FCBERO CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001299374425 1211111497 /nfs/dbraw/zinc/11/14/97/1211111497.db2.gz FZKSLMXFNKXWLS-HUUCEWRRSA-N 1 0 366.462 0.974 10 5 FCBERO Cc1ccc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC001274910531 1211143059 /nfs/dbraw/zinc/14/30/59/1211143059.db2.gz NIUHNBQTEBIOQC-HZPDHXFCSA-N 1 0 362.430 0.807 10 5 FCBERO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001119594491 1221938638 /nfs/dbraw/zinc/93/86/38/1221938638.db2.gz WUNCCCYRELFAHW-AEFFLSMTSA-N 1 0 362.430 0.694 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001138163539 1222487117 /nfs/dbraw/zinc/48/71/17/1222487117.db2.gz OERRYLUMUKNYAO-INIZCTEOSA-N 1 0 373.413 0.983 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC001140921230 1222622306 /nfs/dbraw/zinc/62/23/06/1222622306.db2.gz ZDVKPFOALGIDOE-ZDUSSCGKSA-N 1 0 368.438 0.400 10 5 FCBERO CC[NH+]1CCC(N2CCCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC001142468297 1222830108 /nfs/dbraw/zinc/83/01/08/1222830108.db2.gz SMZSNFOWEISIPR-UHFFFAOYSA-N 1 0 364.450 0.961 10 5 FCBERO CC(C)n1ccc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001328166004 1265495593 /nfs/dbraw/zinc/49/55/93/1265495593.db2.gz GVILCXJPCBYPEN-HUUCEWRRSA-N 1 0 365.434 0.572 10 5 FCBERO CC[NH+](CC)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001335586395 1259729398 /nfs/dbraw/zinc/72/93/98/1259729398.db2.gz BJAONZXKHHQGLP-DTDBQYNISA-N 1 0 366.462 0.690 10 5 FCBERO NS(=O)(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473850959 1261502740 /nfs/dbraw/zinc/50/27/40/1261502740.db2.gz VTZCOMHHYLTZHD-SNVBAGLBSA-N 1 0 374.394 0.673 10 5 FCBERO CC(C)CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484567531 1263478663 /nfs/dbraw/zinc/47/86/63/1263478663.db2.gz NDRKYTFNVDEJNT-KBUPBQIOSA-N 1 0 354.451 0.688 10 5 FCBERO Cc1noc(CCC[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001485756162 1263513363 /nfs/dbraw/zinc/51/33/63/1263513363.db2.gz BBVXJOAPTMWPGE-ZIAGYGMSSA-N 1 0 351.407 0.899 10 5 FCBERO CN(CCCNC(=O)c1cccc(C[NH+](C)C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001492390734 1263652725 /nfs/dbraw/zinc/65/27/25/1263652725.db2.gz YLDXSHXVPYHKJO-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO O=C(NC1(C[NH2+]CCCN2CCCC2=O)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495160363 1263800969 /nfs/dbraw/zinc/80/09/69/1263800969.db2.gz GBLHBNCGMLCTCP-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO Cn1nncc1C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001496502559 1263879956 /nfs/dbraw/zinc/87/99/56/1263879956.db2.gz YIRDPCSAOPMTAL-HUUCEWRRSA-N 1 0 350.423 0.541 10 5 FCBERO Cc1cc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncn1 ZINC001325794196 1264996506 /nfs/dbraw/zinc/99/65/06/1264996506.db2.gz JNLQBVORSJWHIB-HZPDHXFCSA-N 1 0 362.434 0.120 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001326857885 1265185258 /nfs/dbraw/zinc/18/52/58/1265185258.db2.gz GHECJERDIQSZEA-NJZAAPMLSA-N 1 0 364.402 0.594 10 5 FCBERO CCC1([NH2+]CC(=O)N(C)CC2CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327449112 1265326399 /nfs/dbraw/zinc/32/63/99/1265326399.db2.gz KDNZRZBXYXBHGL-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO CCN(C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC001334073572 1266810428 /nfs/dbraw/zinc/81/04/28/1266810428.db2.gz XSWXBWSDXXWQIJ-CQSZACIVSA-N 1 0 364.402 0.642 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1 ZINC001334589034 1267094416 /nfs/dbraw/zinc/09/44/16/1267094416.db2.gz XBLOUJVFIRFXKS-ZDUSSCGKSA-N 1 0 352.391 0.326 10 5 FCBERO C[NH+]1C[C@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)C[C@@]2(C)C1 ZINC001557741304 1268972909 /nfs/dbraw/zinc/97/29/09/1268972909.db2.gz LAVFLVKAHSYRIW-IAGOWNOFSA-N 1 0 371.401 0.984 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC001558042391 1269008385 /nfs/dbraw/zinc/00/83/85/1269008385.db2.gz CDAALFQJWPMIPN-HNNXBMFYSA-N 1 0 371.415 0.137 10 5 FCBERO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558552381 1269109889 /nfs/dbraw/zinc/10/98/89/1269109889.db2.gz XPYUVGAMCQRBRR-LLVKDONJSA-N 1 0 363.370 0.959 10 5 FCBERO CC(C)[NH+]1CCN(C2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC001341685852 1269151814 /nfs/dbraw/zinc/15/18/14/1269151814.db2.gz TVTFTJMRAWIOJQ-UHFFFAOYSA-N 1 0 364.450 0.959 10 5 FCBERO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001559006195 1269160124 /nfs/dbraw/zinc/16/01/24/1269160124.db2.gz ZOLUGEHTPSCKGV-UHFFFAOYSA-N 1 0 350.375 0.662 10 5 FCBERO CN(C(=O)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001560060422 1269184111 /nfs/dbraw/zinc/18/41/11/1269184111.db2.gz NCIXPSHELZQKKY-IRXDYDNUSA-N 1 0 360.370 0.542 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001560231837 1269199168 /nfs/dbraw/zinc/19/91/68/1269199168.db2.gz CDAPNACAAYZGGR-STQMWFEESA-N 1 0 367.402 0.855 10 5 FCBERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001565692011 1269488994 /nfs/dbraw/zinc/48/89/94/1269488994.db2.gz UAVZEWUQNJXXMT-SNVBAGLBSA-N 1 0 356.404 0.314 10 5 FCBERO C[N@@H+](CC(=O)N1CCCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567746255 1269705341 /nfs/dbraw/zinc/70/53/41/1269705341.db2.gz AHYAMKFUYLUQQL-HZPDHXFCSA-N 1 0 366.462 0.835 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCOc2ccccc2)CC1 ZINC001570414418 1269880965 /nfs/dbraw/zinc/88/09/65/1269880965.db2.gz VZBUQRZCHWZVTK-HZPDHXFCSA-N 1 0 363.414 0.674 10 5 FCBERO CC[NH+](CC)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001571905669 1269979444 /nfs/dbraw/zinc/97/94/44/1269979444.db2.gz QSOVCMCNSZDOMJ-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO O=C(C[NH+]1CCCC1)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001572568919 1270096520 /nfs/dbraw/zinc/09/65/20/1270096520.db2.gz DENCFKIRGKPWEY-HUUCEWRRSA-N 1 0 364.446 0.635 10 5 FCBERO O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001573143846 1270614834 /nfs/dbraw/zinc/61/48/34/1270614834.db2.gz BJBQHZFVCQIUGW-LXTVHRRPSA-N 1 0 352.435 0.539 10 5 FCBERO Cc1cccc(CNC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001713985336 1287308922 /nfs/dbraw/zinc/30/89/22/1287308922.db2.gz LVDMQNXDXOFUHZ-QKPAOTATSA-N 1 0 360.414 0.513 10 5 FCBERO COc1nccc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001715168212 1287345643 /nfs/dbraw/zinc/34/56/43/1287345643.db2.gz LLUOKNLAQAYNJA-HUUCEWRRSA-N 1 0 363.418 0.869 10 5 FCBERO CN(C)C(=O)c1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001716681640 1287385281 /nfs/dbraw/zinc/38/52/81/1287385281.db2.gz SRGQTXRWNDGVFI-HUUCEWRRSA-N 1 0 360.414 0.792 10 5 FCBERO Cc1oncc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717015575 1287402118 /nfs/dbraw/zinc/40/21/18/1287402118.db2.gz KKYCTNXUIAXHQA-HUUCEWRRSA-N 1 0 351.407 0.318 10 5 FCBERO Cn1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)cc1=O ZINC001717523268 1287428139 /nfs/dbraw/zinc/42/81/39/1287428139.db2.gz KURQCPYUTKFEBH-HUUCEWRRSA-N 1 0 362.430 0.959 10 5 FCBERO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1nccs1 ZINC001717639407 1287430985 /nfs/dbraw/zinc/43/09/85/1287430985.db2.gz MIROHVOMTQFDFR-GWOFURMSSA-N 1 0 353.404 0.231 10 5 FCBERO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001603646815 1287456444 /nfs/dbraw/zinc/45/64/44/1287456444.db2.gz OICNFRULOJUPIV-HIFRSBDPSA-N 1 0 364.402 0.332 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993638 1282128630 /nfs/dbraw/zinc/12/86/30/1282128630.db2.gz DRTHWWAFWQJOGJ-ZIAGYGMSSA-N 1 0 372.385 0.769 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001632763384 1282205317 /nfs/dbraw/zinc/20/53/17/1282205317.db2.gz WFDAZZCURYWMDI-INIZCTEOSA-N 1 0 366.374 0.961 10 5 FCBERO CN(CCC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc[nH+]cc1 ZINC001585396527 1282224587 /nfs/dbraw/zinc/22/45/87/1282224587.db2.gz MAZHOKCMQXKPJN-HUUCEWRRSA-N 1 0 361.402 0.242 10 5 FCBERO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001633496341 1282247446 /nfs/dbraw/zinc/24/74/46/1282247446.db2.gz BWRAHBSEMDXWOO-INIZCTEOSA-N 1 0 351.359 0.553 10 5 FCBERO CCC[N@H+](C)CC(=O)N1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001586101487 1282275092 /nfs/dbraw/zinc/27/50/92/1282275092.db2.gz PQTMXJPNEPTWLN-ZIAGYGMSSA-N 1 0 354.451 0.738 10 5 FCBERO CCc1n[nH]c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001636609267 1282523406 /nfs/dbraw/zinc/52/34/06/1282523406.db2.gz LJVYGFPHKYDZNU-UHFFFAOYSA-N 1 0 352.395 0.212 10 5 FCBERO O=Cc1ccc(OCC(=O)N[C@@H](CO)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001638118433 1282659519 /nfs/dbraw/zinc/65/95/19/1282659519.db2.gz JDSQQNBOUZCZQO-CYBMUJFWSA-N 1 0 351.359 0.359 10 5 FCBERO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001639068231 1282744128 /nfs/dbraw/zinc/74/41/28/1282744128.db2.gz HQNRTPCEPKWWIF-XJKSGUPXSA-N 1 0 364.450 0.940 10 5 FCBERO C[NH+](C)CC1(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)CC1 ZINC001718934658 1287594616 /nfs/dbraw/zinc/59/46/16/1287594616.db2.gz RZRLSTYVVWZWJV-CHWSQXEVSA-N 1 0 350.419 0.054 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccn2c[nH+]cc2c1 ZINC001704374758 1286237242 /nfs/dbraw/zinc/23/72/42/1286237242.db2.gz JCRGENDHNDSKBF-HUUCEWRRSA-N 1 0 359.386 0.968 10 5 FCBERO CN(CCC[N@H+](C)CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724853021 1288451835 /nfs/dbraw/zinc/45/18/35/1288451835.db2.gz WMDLAVUXCBPCAW-CHWSQXEVSA-N 1 0 367.454 0.416 10 5 FCBERO Cc1nc(C)n(CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001734017433 1288638170 /nfs/dbraw/zinc/63/81/70/1288638170.db2.gz LVNPVJZEULPVTO-ZIAGYGMSSA-N 1 0 352.439 0.634 10 5 FCBERO CCN(CCCNC(=O)C[NH+]1CCC(C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737283553 1289525434 /nfs/dbraw/zinc/52/54/34/1289525434.db2.gz SPXWJXKDTRKBFJ-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO O=[N+]([O-])c1cc(CO)c(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cc1F ZINC001613072276 1289710672 /nfs/dbraw/zinc/71/06/72/1289710672.db2.gz BMRQIRBNVYTNFG-BLLLJJGKSA-N 1 0 355.366 0.864 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001617000542 1289811146 /nfs/dbraw/zinc/81/11/46/1289811146.db2.gz IBSKIYCGTBMMFU-GFCCVEGCSA-N 1 0 368.415 0.456 10 5 FCBERO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564205 1290000504 /nfs/dbraw/zinc/00/05/04/1290000504.db2.gz CXZQUNUUHREBIL-YCPHGPKFSA-N 1 0 365.434 0.923 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC001624463208 1290274218 /nfs/dbraw/zinc/27/42/18/1290274218.db2.gz IYBOPBNGBCFDBX-ZDUSSCGKSA-N 1 0 368.438 0.308 10 5 FCBERO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001624751344 1290292972 /nfs/dbraw/zinc/29/29/72/1290292972.db2.gz VZUOLDJECIAAQL-UHFFFAOYSA-N 1 0 369.809 0.676 10 5 FCBERO O=C(CC[N@H+]1C[C@H](CCO)[C@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648635945 1291133787 /nfs/dbraw/zinc/13/37/87/1291133787.db2.gz WNAYULXMKKSBKL-RYUDHWBXSA-N 1 0 355.366 0.985 10 5 FCBERO COCC[N@H+](C)CCN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C)CC1=O ZINC001651161188 1291199832 /nfs/dbraw/zinc/19/98/32/1291199832.db2.gz UCEOUJWKYUQKGN-ZDUSSCGKSA-N 1 0 351.407 0.889 10 5 FCBERO COC(=O)c1cnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001651494833 1291224864 /nfs/dbraw/zinc/22/48/64/1291224864.db2.gz CBIAZFPSLSRSNV-CHWSQXEVSA-N 1 0 350.375 0.812 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001653229654 1291328401 /nfs/dbraw/zinc/32/84/01/1291328401.db2.gz GZUKBOMZWVZJTP-GFCCVEGCSA-N 1 0 368.415 0.314 10 5 FCBERO COCC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654057286 1291391648 /nfs/dbraw/zinc/39/16/48/1291391648.db2.gz VRUIYYDOMIMQDN-WDEREUQCSA-N 1 0 356.301 0.024 10 5 FCBERO COC(=O)[C@@H](NC(=O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)C ZINC001654503831 1291416171 /nfs/dbraw/zinc/41/61/71/1291416171.db2.gz RZRYYIKHRYALQD-DOTOQJQBSA-N 1 0 367.402 0.706 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001655575461 1291474440 /nfs/dbraw/zinc/47/44/40/1291474440.db2.gz FETQLBXMYNWKOS-MRXNPFEDSA-N 1 0 353.423 0.385 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCCCC1 ZINC001668819965 1291975627 /nfs/dbraw/zinc/97/56/27/1291975627.db2.gz ADCCAYYWTSKFOY-JBZXTQMFSA-N 1 0 352.435 0.753 10 5 FCBERO CCCCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001671049677 1292030666 /nfs/dbraw/zinc/03/06/66/1292030666.db2.gz AYPDEZGXOXHKPO-HUUCEWRRSA-N 1 0 366.462 0.882 10 5 FCBERO CC(C)C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC001136648746 849231975 /nfs/dbraw/zinc/23/19/75/849231975.db2.gz XUBOOHVGVAVRJG-LBPRGKRZSA-N 1 0 372.447 0.948 10 5 FCBERO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001174615316 850741922 /nfs/dbraw/zinc/74/19/22/850741922.db2.gz SSDZMVZGIDDWHX-ZDUSSCGKSA-N 1 0 357.411 0.999 10 5 FCBERO COc1ccc(NC(=O)CCN2CC[N@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001174715208 850743862 /nfs/dbraw/zinc/74/38/62/850743862.db2.gz HWUOGPXFJSOQQX-GFCCVEGCSA-N 1 0 352.391 0.540 10 5 FCBERO CON(C)C(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195486756 852770834 /nfs/dbraw/zinc/77/08/34/852770834.db2.gz CCIGQUYTXVAEND-UHFFFAOYSA-N 1 0 374.419 0.215 10 5 FCBERO O=C(NCCN1CCC([NH2+]Cc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001279431163 862883109 /nfs/dbraw/zinc/88/31/09/862883109.db2.gz FAWGQEFIDXKXLZ-ZIAGYGMSSA-N 1 0 353.448 0.479 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)Nc1nncs1 ZINC001268036105 859522869 /nfs/dbraw/zinc/52/28/69/859522869.db2.gz LXGYLFZSWRADIV-NXEZZACHSA-N 1 0 368.419 0.160 10 5 FCBERO CC1([NH2+]CC(=O)N2CCCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281489391 863523856 /nfs/dbraw/zinc/52/38/56/863523856.db2.gz GXHXGDVPQULWCW-ZIAGYGMSSA-N 1 0 352.435 0.635 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001286353080 864689184 /nfs/dbraw/zinc/68/91/84/864689184.db2.gz VGWMGXYOXJTOLT-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001292800059 865752123 /nfs/dbraw/zinc/75/21/23/865752123.db2.gz SZLOZKOYYLSZJN-LLVKDONJSA-N 1 0 356.404 0.408 10 5 FCBERO CC1(C)CC[N@H+](CC(=O)N(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)C1 ZINC001296575275 865977885 /nfs/dbraw/zinc/97/78/85/865977885.db2.gz WJKNXRYEMYWPPR-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO C[N@H+](CCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001317872591 867568707 /nfs/dbraw/zinc/56/87/07/867568707.db2.gz SHXVNOVCNWZBKT-HUUCEWRRSA-N 1 0 352.435 0.444 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC001319768257 867995557 /nfs/dbraw/zinc/99/55/57/867995557.db2.gz VGTZVWGUKWGLNN-UHFFFAOYSA-N 1 0 350.423 0.617 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC001343227029 870305441 /nfs/dbraw/zinc/30/54/41/870305441.db2.gz POMQEIPWKWIUEX-UHFFFAOYSA-N 1 0 352.391 0.630 10 5 FCBERO CCC1([NH2+]CC(=O)N2CCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327450264 870879224 /nfs/dbraw/zinc/87/92/24/870879224.db2.gz YSPMCDOLPYCHKW-ZIAGYGMSSA-N 1 0 352.435 0.635 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC001348972594 872839520 /nfs/dbraw/zinc/83/95/20/872839520.db2.gz KTSMFUPJTCJXCO-UHFFFAOYSA-N 1 0 362.429 0.393 10 5 FCBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001331730757 873218641 /nfs/dbraw/zinc/21/86/41/873218641.db2.gz HBHCWRJBIDSJNW-QWHCGFSZSA-N 1 0 350.375 0.476 10 5 FCBERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)[C@H]2C1 ZINC000293888945 214208786 /nfs/dbraw/zinc/20/87/86/214208786.db2.gz LNIDZFAVTLUVQG-UONOGXRCSA-N 1 0 351.407 0.811 10 5 FCBERO CC[C@H](O)C[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000173452561 529700309 /nfs/dbraw/zinc/70/03/09/529700309.db2.gz GESRPKQJTWZFNW-INIZCTEOSA-N 1 0 350.419 0.946 10 5 FCBERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000284918757 213249074 /nfs/dbraw/zinc/24/90/74/213249074.db2.gz SZYPTHQWMOWAQI-DLBZAZTESA-N 1 0 360.414 0.889 10 5 FCBERO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366640860 216008404 /nfs/dbraw/zinc/00/84/04/216008404.db2.gz LQRCRXHAYHHHQK-INIZCTEOSA-N 1 0 360.414 0.700 10 5 FCBERO CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000366998835 216060926 /nfs/dbraw/zinc/06/09/26/216060926.db2.gz YGMCRPWBYZCTMM-GFCCVEGCSA-N 1 0 357.436 0.710 10 5 FCBERO Cc1c(Br)c(N(C)CC(=O)N2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000262063721 209519773 /nfs/dbraw/zinc/51/97/73/209519773.db2.gz FEVMNNCHAUPZAI-UHFFFAOYSA-N 1 0 372.223 0.929 10 5 FCBERO Cc1c(F)cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184901237 209169484 /nfs/dbraw/zinc/16/94/84/209169484.db2.gz WRYPCNWMZUPOMK-LLVKDONJSA-N 1 0 374.438 0.957 10 5 FCBERO C[NH2+]CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415363150 245399490 /nfs/dbraw/zinc/39/94/90/245399490.db2.gz RAVZFQCPTHCDRR-UHFFFAOYSA-N 1 0 359.180 0.940 10 5 FCBERO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000182895076 209138667 /nfs/dbraw/zinc/13/86/67/209138667.db2.gz SJMVPLFMQYPZNO-NSHDSACASA-N 1 0 361.395 0.993 10 5 FCBERO Cn1cc([C@H]2CNCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000181688703 209120113 /nfs/dbraw/zinc/12/01/13/209120113.db2.gz OCPWWINUWROLQK-GFCCVEGCSA-N 1 0 369.378 0.803 10 5 FCBERO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423306586 247001107 /nfs/dbraw/zinc/00/11/07/247001107.db2.gz LYKSKGYALLPNMQ-XJKSGUPXSA-N 1 0 358.398 0.690 10 5 FCBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000440042782 248153015 /nfs/dbraw/zinc/15/30/15/248153015.db2.gz KQVBGMZZEDPFQY-UHFFFAOYSA-N 1 0 373.369 0.977 10 5 FCBERO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452387376 249314671 /nfs/dbraw/zinc/31/46/71/249314671.db2.gz HDCOSQGIEUDZGA-HNNXBMFYSA-N 1 0 364.402 0.288 10 5 FCBERO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000072630722 208039622 /nfs/dbraw/zinc/03/96/22/208039622.db2.gz JUYTXHLZHJGNCI-HZPDHXFCSA-N 1 0 359.386 0.890 10 5 FCBERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000176884825 209011511 /nfs/dbraw/zinc/01/15/11/209011511.db2.gz BAKRIXOQMDOGFW-ZDUSSCGKSA-N 1 0 353.423 0.733 10 5 FCBERO Cn1cc([C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301269526 488878368 /nfs/dbraw/zinc/87/83/68/488878368.db2.gz GMPHELAIMZLBPR-AWEZNQCLSA-N 1 0 368.419 0.691 10 5 FCBERO NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000301948468 488886316 /nfs/dbraw/zinc/88/63/16/488886316.db2.gz HYGPUCHVODUXTH-OAHLLOKOSA-N 1 0 361.402 0.612 10 5 FCBERO Cc1nn(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)c1[N+](=O)[O-] ZINC000018424518 487601426 /nfs/dbraw/zinc/60/14/26/487601426.db2.gz RWMQNYLMNKZOKD-AWEZNQCLSA-N 1 0 353.423 0.881 10 5 FCBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069527816 488373198 /nfs/dbraw/zinc/37/31/98/488373198.db2.gz TVBCXXNOQZJYIF-OAHLLOKOSA-N 1 0 364.402 0.552 10 5 FCBERO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000190910172 488418623 /nfs/dbraw/zinc/41/86/23/488418623.db2.gz FVINDINIOWXCAB-NSHDSACASA-N 1 0 362.477 0.961 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)n1 ZINC000191813456 488421252 /nfs/dbraw/zinc/42/12/52/488421252.db2.gz VVDALQVMPWHUKW-CYBMUJFWSA-N 1 0 352.439 0.815 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000246856010 488476994 /nfs/dbraw/zinc/47/69/94/488476994.db2.gz FHXZEYIVTWCGEK-HZPDHXFCSA-N 1 0 351.403 0.741 10 5 FCBERO Cn1cc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000569891139 491201569 /nfs/dbraw/zinc/20/15/69/491201569.db2.gz RQLPISDLPMPQHZ-HUUCEWRRSA-N 1 0 364.406 0.379 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000248442154 488496011 /nfs/dbraw/zinc/49/60/11/488496011.db2.gz DXPOITMGIXOWJT-HUUCEWRRSA-N 1 0 351.403 0.741 10 5 FCBERO COC[C@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000261614221 488527597 /nfs/dbraw/zinc/52/75/97/488527597.db2.gz FDBSVYXQSOUWEG-CQSZACIVSA-N 1 0 359.404 0.650 10 5 FCBERO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262755122 488590624 /nfs/dbraw/zinc/59/06/24/488590624.db2.gz HQNFHTIVWABKNQ-VHSXEESVSA-N 1 0 357.388 0.642 10 5 FCBERO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158936193 488781748 /nfs/dbraw/zinc/78/17/48/488781748.db2.gz LORJVTCDQZGKCY-LLVKDONJSA-N 1 0 361.395 0.859 10 5 FCBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000173956820 488846416 /nfs/dbraw/zinc/84/64/16/488846416.db2.gz RZZSMMHIMROOGR-ZIAGYGMSSA-N 1 0 350.419 0.945 10 5 FCBERO CCOC(=O)c1ccnc(N2CCCN(CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC000365895713 489123242 /nfs/dbraw/zinc/12/32/42/489123242.db2.gz VGNSPYMVUCDSNW-UHFFFAOYSA-N 1 0 365.390 0.425 10 5 FCBERO O=C(CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000366118900 489147371 /nfs/dbraw/zinc/14/73/71/489147371.db2.gz AZYUCQGEYPIGND-INIZCTEOSA-N 1 0 361.358 0.597 10 5 FCBERO CN1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)CC1 ZINC000299125580 489408789 /nfs/dbraw/zinc/40/87/89/489408789.db2.gz BJIRRAQKKRSEAO-UHFFFAOYSA-N 1 0 362.434 0.553 10 5 FCBERO C[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299523997 489451516 /nfs/dbraw/zinc/45/15/16/489451516.db2.gz PFMQAFDKQAARFN-ZDUSSCGKSA-N 1 0 356.404 0.084 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000451674382 489517413 /nfs/dbraw/zinc/51/74/13/489517413.db2.gz YJIAMSBBZWFWNO-CQSZACIVSA-N 1 0 357.432 0.861 10 5 FCBERO COc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415842128 489557454 /nfs/dbraw/zinc/55/74/54/489557454.db2.gz PKUSEKWVBCFULT-QLJPJBMISA-N 1 0 350.375 0.985 10 5 FCBERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290086 489566833 /nfs/dbraw/zinc/56/68/33/489566833.db2.gz VBGNPVJWDZLVIZ-FPMFFAJLSA-N 1 0 356.379 0.195 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429353627 489683344 /nfs/dbraw/zinc/68/33/44/489683344.db2.gz ZHLCVSHEFCNPPA-HNNXBMFYSA-N 1 0 374.401 0.594 10 5 FCBERO CNC(=O)CCOC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000494925590 489920332 /nfs/dbraw/zinc/92/03/32/489920332.db2.gz UQVDIIXZISXFNW-UHFFFAOYSA-N 1 0 364.402 0.811 10 5 FCBERO C[N@@H+]1CCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000520353127 490135778 /nfs/dbraw/zinc/13/57/78/490135778.db2.gz BBAMDENFVYMMNM-ZDUSSCGKSA-N 1 0 370.431 0.474 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCNc1cc[nH+]cc1 ZINC000533814463 490286923 /nfs/dbraw/zinc/28/69/23/490286923.db2.gz JDZHMJVWQOSVER-UHFFFAOYSA-N 1 0 359.342 0.587 10 5 FCBERO C[C@@H](CC[NH+](C)C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000498648487 490320419 /nfs/dbraw/zinc/32/04/19/490320419.db2.gz HTLDWDYFBBBMMF-LBPRGKRZSA-N 1 0 372.447 0.720 10 5 FCBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000510659848 490532538 /nfs/dbraw/zinc/53/25/38/490532538.db2.gz QVGJZLBXKUEJRU-GFCCVEGCSA-N 1 0 370.431 0.985 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000536432556 490578105 /nfs/dbraw/zinc/57/81/05/490578105.db2.gz FTHIJHSIMUWAKY-LSDHHAIUSA-N 1 0 374.401 0.186 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000542045382 490883275 /nfs/dbraw/zinc/88/32/75/490883275.db2.gz SDMKCYUCYXHRDN-UHFFFAOYSA-N 1 0 364.402 0.982 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000595413787 491930023 /nfs/dbraw/zinc/93/00/23/491930023.db2.gz WAQZRUHWRKFMHO-ZDUSSCGKSA-N 1 0 371.415 1.000 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@@H](O)CNC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000566620111 491456687 /nfs/dbraw/zinc/45/66/87/491456687.db2.gz MXFJPRADIZBCGM-HOTGVXAUSA-N 1 0 353.419 0.771 10 5 FCBERO C[C@]1(F)CNCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000567590313 491515850 /nfs/dbraw/zinc/51/58/50/491515850.db2.gz YKUJBDXCBPEJHU-INIZCTEOSA-N 1 0 367.381 0.554 10 5 FCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@H](O)C(F)(F)F ZINC000574869390 491524612 /nfs/dbraw/zinc/52/46/12/491524612.db2.gz VIHKIHBZUSSTNP-JTQLQIEISA-N 1 0 357.310 0.386 10 5 FCBERO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577743073 491647570 /nfs/dbraw/zinc/64/75/70/491647570.db2.gz DOUGKYFDXPITNZ-RYUDHWBXSA-N 1 0 358.416 0.890 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000589929937 491767663 /nfs/dbraw/zinc/76/76/63/491767663.db2.gz ORPACKXUQZHJSM-ZYHUDNBSSA-N 1 0 369.399 0.691 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590355434 491774174 /nfs/dbraw/zinc/77/41/74/491774174.db2.gz XSALTRXLKAAUSX-GFCCVEGCSA-N 1 0 362.386 0.486 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000590445007 491777039 /nfs/dbraw/zinc/77/70/39/491777039.db2.gz PJUVNJYQMAZZQY-FZMZJTMJSA-N 1 0 360.370 0.483 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000591945019 491825704 /nfs/dbraw/zinc/82/57/04/491825704.db2.gz SEHKUKQNMJUKBP-CYBMUJFWSA-N 1 0 363.418 0.899 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000582979769 491835038 /nfs/dbraw/zinc/83/50/38/491835038.db2.gz DPHAZIFKAXVIFW-GJZGRUSLSA-N 1 0 374.401 0.186 10 5 FCBERO CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595124368 491885853 /nfs/dbraw/zinc/88/58/53/491885853.db2.gz GXCMAGTWTIIIBI-UHFFFAOYSA-N 1 0 351.407 0.533 10 5 FCBERO C[N@@H+]1CCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600691013 491876435 /nfs/dbraw/zinc/87/64/35/491876435.db2.gz HWIZYTLJURJYSB-NSHDSACASA-N 1 0 356.404 0.084 10 5 FCBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595113935 491884986 /nfs/dbraw/zinc/88/49/86/491884986.db2.gz PNDZREQHHGUWDO-YRGRVCCFSA-N 1 0 370.431 0.897 10 5 FCBERO Cc1cc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])s1 ZINC000601342989 491906203 /nfs/dbraw/zinc/90/62/03/491906203.db2.gz HXXPUHZXRPDKDI-LLVKDONJSA-N 1 0 360.461 0.633 10 5 FCBERO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595385234 491926890 /nfs/dbraw/zinc/92/68/90/491926890.db2.gz WXEQYRPPQDLNTB-LBPRGKRZSA-N 1 0 373.406 0.954 10 5 FCBERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595660876 491947163 /nfs/dbraw/zinc/94/71/63/491947163.db2.gz GXGOGIBUSPHUTA-XHDPSFHLSA-N 1 0 367.358 0.852 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595885406 491958865 /nfs/dbraw/zinc/95/88/65/491958865.db2.gz NLWVUMWEGJEPME-INIZCTEOSA-N 1 0 360.414 0.874 10 5 FCBERO [NH3+][C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000595931779 491962275 /nfs/dbraw/zinc/96/22/75/491962275.db2.gz XYDPIRZSIGXMHP-HAQNSBGRSA-N 1 0 368.415 0.165 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000596506681 491987836 /nfs/dbraw/zinc/98/78/36/491987836.db2.gz RQZGGYCCIFRLNY-CQSZACIVSA-N 1 0 354.411 0.544 10 5 FCBERO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537192 491989160 /nfs/dbraw/zinc/98/91/60/491989160.db2.gz CGPQZPFJGIAQRD-CYBMUJFWSA-N 1 0 370.431 0.278 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000596539969 491989486 /nfs/dbraw/zinc/98/94/86/491989486.db2.gz SAPRAIAHHDKEBU-GFCCVEGCSA-N 1 0 350.375 0.812 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000597941605 492074049 /nfs/dbraw/zinc/07/40/49/492074049.db2.gz CJORLINECURUBS-ZDUSSCGKSA-N 1 0 353.423 0.145 10 5 FCBERO Nc1c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000598453100 492099139 /nfs/dbraw/zinc/09/91/39/492099139.db2.gz OOLYNLVQHUQQMF-GFCCVEGCSA-N 1 0 352.366 0.987 10 5 FCBERO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598452496 492099261 /nfs/dbraw/zinc/09/92/61/492099261.db2.gz KIABKNQVYQDLRT-CYBMUJFWSA-N 1 0 363.370 0.995 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CN2CC[NH+](CC)CC2)n1 ZINC000598743000 492116748 /nfs/dbraw/zinc/11/67/48/492116748.db2.gz QQDAVERPZSGZHM-UHFFFAOYSA-N 1 0 352.439 0.957 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000616094563 492116886 /nfs/dbraw/zinc/11/68/86/492116886.db2.gz DLPVABBJVYSFCU-UHFFFAOYSA-N 1 0 372.399 0.671 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000599103992 492135728 /nfs/dbraw/zinc/13/57/28/492135728.db2.gz YYPMZOUEVMVECH-WCQYABFASA-N 1 0 373.435 0.235 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000599228047 492145680 /nfs/dbraw/zinc/14/56/80/492145680.db2.gz XZCLEYNJJSJXJQ-CYBMUJFWSA-N 1 0 367.431 0.780 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000599232476 492146526 /nfs/dbraw/zinc/14/65/26/492146526.db2.gz MVZNDVARZVSQBE-UHFFFAOYSA-N 1 0 373.435 0.252 10 5 FCBERO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC000599286357 492154855 /nfs/dbraw/zinc/15/48/55/492154855.db2.gz IDRXYXUMGYUQRU-NSHDSACASA-N 1 0 361.424 0.108 10 5 FCBERO CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000609532467 492211734 /nfs/dbraw/zinc/21/17/34/492211734.db2.gz CUVJLILVLFRWSH-OAHLLOKOSA-N 1 0 374.397 0.873 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599100105 546515172 /nfs/dbraw/zinc/51/51/72/546515172.db2.gz FJXQNKDNLICYLH-ZDUSSCGKSA-N 1 0 369.399 0.944 10 5 FCBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592185872 546945548 /nfs/dbraw/zinc/94/55/48/546945548.db2.gz RPLQECNZBDVQKJ-CYBMUJFWSA-N 1 0 362.308 0.757 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592877913 546959789 /nfs/dbraw/zinc/95/97/89/546959789.db2.gz AVNBMXVDBCGWPG-NSHDSACASA-N 1 0 352.395 0.068 10 5 FCBERO CC(C)c1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872876 546960047 /nfs/dbraw/zinc/96/00/47/546960047.db2.gz MMVAMPAOFOXAFM-JTQLQIEISA-N 1 0 352.395 0.633 10 5 FCBERO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000593623325 546984935 /nfs/dbraw/zinc/98/49/35/546984935.db2.gz ZZSAWLCZHDTWLX-UHFFFAOYSA-N 1 0 370.431 0.130 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]CC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000593670202 546988120 /nfs/dbraw/zinc/98/81/20/546988120.db2.gz GCWCWFRQLPPTKW-MRXNPFEDSA-N 1 0 354.359 0.778 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]CC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000593670200 546988190 /nfs/dbraw/zinc/98/81/90/546988190.db2.gz GCWCWFRQLPPTKW-INIZCTEOSA-N 1 0 354.359 0.778 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1=O ZINC000593784678 546991866 /nfs/dbraw/zinc/99/18/66/546991866.db2.gz USSHLCKONPKEQF-UHFFFAOYSA-N 1 0 353.354 0.162 10 5 FCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000594754857 547005722 /nfs/dbraw/zinc/00/57/22/547005722.db2.gz OYADNUIGBXHMMF-UHFFFAOYSA-N 1 0 370.431 0.913 10 5 FCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262111239 665005847 /nfs/dbraw/zinc/00/58/47/665005847.db2.gz FJEAFXRTXMURKU-QUBYGPBYSA-N 1 0 362.155 0.807 10 5 FCBERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262119763 665009617 /nfs/dbraw/zinc/00/96/17/665009617.db2.gz JJQQYRFRSFZKBA-ZWNOBZJWSA-N 1 0 358.420 0.363 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000808023972 669532261 /nfs/dbraw/zinc/53/22/61/669532261.db2.gz GDKAUNAATDADRV-LLVKDONJSA-N 1 0 362.415 0.719 10 5 FCBERO CN(C1C[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842867841 670747487 /nfs/dbraw/zinc/74/74/87/670747487.db2.gz UOGSQQSEQFUKNI-UHFFFAOYSA-N 1 0 350.194 0.950 10 5 FCBERO O=C1O[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848678771 671289775 /nfs/dbraw/zinc/28/97/75/671289775.db2.gz NUNNGXGMDTUDFC-CHWSQXEVSA-N 1 0 351.359 0.907 10 5 FCBERO COC(=O)Nc1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000850592560 671388003 /nfs/dbraw/zinc/38/80/03/671388003.db2.gz PDLJTQVYKDFPJA-UHFFFAOYSA-N 1 0 370.387 0.803 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC000858610192 671768799 /nfs/dbraw/zinc/76/87/99/671768799.db2.gz LWCDHYQDLALQQC-JTQLQIEISA-N 1 0 351.388 0.970 10 5 FCBERO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000861514756 671967403 /nfs/dbraw/zinc/96/74/03/671967403.db2.gz JRJBWDRWVDYDJL-UHFFFAOYSA-N 1 0 356.766 0.811 10 5 FCBERO C[NH+]1CCC(NC(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)CC1 ZINC000865360430 672239859 /nfs/dbraw/zinc/23/98/59/672239859.db2.gz TUNWNHYHQKNFNF-UHFFFAOYSA-N 1 0 373.207 0.729 10 5 FCBERO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000123143851 672493774 /nfs/dbraw/zinc/49/37/74/672493774.db2.gz PDRLAIRTLIHECX-ZETCQYMHSA-N 1 0 350.194 0.998 10 5 FCBERO Cn1c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000927663407 673876627 /nfs/dbraw/zinc/87/66/27/673876627.db2.gz NSKAJWGBHGQDIE-UHFFFAOYSA-N 1 0 350.375 0.833 10 5 FCBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C3(O)CCOCC3)CC2)cc1 ZINC000929154714 673940718 /nfs/dbraw/zinc/94/07/18/673940718.db2.gz QWGMTVMZSZIVGX-MRXNPFEDSA-N 1 0 351.403 0.619 10 5 FCBERO CN(CC[NH2+]CC(=O)NC(=O)Nc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696792 1170090239 /nfs/dbraw/zinc/09/02/39/1170090239.db2.gz RYACBAAJRCOETB-CHWSQXEVSA-N 1 0 363.374 0.048 10 5 FCBERO CC1CCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001270743220 1188293985 /nfs/dbraw/zinc/29/39/85/1188293985.db2.gz KEBVEMNFNPCAIO-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO CC(C)[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001648974115 1190883456 /nfs/dbraw/zinc/88/34/56/1190883456.db2.gz RQQMLNLLPUIAGK-CYBMUJFWSA-N 1 0 370.431 0.654 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000906215035 1195616805 /nfs/dbraw/zinc/61/68/05/1195616805.db2.gz WFZZKVCHYFPGGP-UHFFFAOYSA-N 1 0 361.446 0.737 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590541636 1196507387 /nfs/dbraw/zinc/50/73/87/1196507387.db2.gz HDWCIRCWIKPFEP-CQSZACIVSA-N 1 0 371.401 0.295 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000592870793 1196585807 /nfs/dbraw/zinc/58/58/07/1196585807.db2.gz FTUYJPIAVSIGJF-CYBMUJFWSA-N 1 0 363.418 0.609 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000592873643 1196586233 /nfs/dbraw/zinc/58/62/33/1196586233.db2.gz PTZPAYSVYXVISM-JTQLQIEISA-N 1 0 364.358 0.516 10 5 FCBERO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392619 1196718878 /nfs/dbraw/zinc/71/88/78/1196718878.db2.gz JAMMXRFFCXTDJW-QWHCGFSZSA-N 1 0 358.358 0.067 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593182210 1196759696 /nfs/dbraw/zinc/75/96/96/1196759696.db2.gz AYTBDKQDNBBGKA-UHFFFAOYSA-N 1 0 365.390 0.841 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593384164 1196778465 /nfs/dbraw/zinc/77/84/65/1196778465.db2.gz NCAJQOHTNRZZNL-UHFFFAOYSA-N 1 0 363.418 0.553 10 5 FCBERO CCO[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1C[NH3+] ZINC000593736612 1196816659 /nfs/dbraw/zinc/81/66/59/1196816659.db2.gz CLAXPGWOBYAXMB-MEBBXXQBSA-N 1 0 366.374 0.558 10 5 FCBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594315707 1196884600 /nfs/dbraw/zinc/88/46/00/1196884600.db2.gz KRFURONEDFVBRU-QWHCGFSZSA-N 1 0 362.386 0.428 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CCN1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001191723111 1207806646 /nfs/dbraw/zinc/80/66/46/1207806646.db2.gz MMCVYOXKHQGAGQ-UHFFFAOYSA-N 1 0 359.390 0.416 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001196833012 1208109512 /nfs/dbraw/zinc/10/95/12/1208109512.db2.gz PEHFDBWWLMYFQL-IAGOWNOFSA-N 1 0 360.370 0.826 10 5 FCBERO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000854354660 1209623376 /nfs/dbraw/zinc/62/33/76/1209623376.db2.gz SQYPDGQMWHYTPV-CYBMUJFWSA-N 1 0 363.374 0.931 10 5 FCBERO O=C(C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000860161037 1209841440 /nfs/dbraw/zinc/84/14/40/1209841440.db2.gz PMBCAQHQURKYEV-CZUORRHYSA-N 1 0 374.397 0.348 10 5 FCBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000863574822 1209945496 /nfs/dbraw/zinc/94/54/96/1209945496.db2.gz GRAADJMHMBSUTC-HIFRSBDPSA-N 1 0 369.385 0.934 10 5 FCBERO Cc1ccc(CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000869054030 1210081607 /nfs/dbraw/zinc/08/16/07/1210081607.db2.gz DVGWBRYGIFKKEM-UHFFFAOYSA-N 1 0 363.418 0.819 10 5 FCBERO O=C(N[C@H]1CC[NH2+]C12CCC2)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001118870950 1221838235 /nfs/dbraw/zinc/83/82/35/1221838235.db2.gz UWQAKIBIELBIFB-HNNXBMFYSA-N 1 0 374.397 0.585 10 5 FCBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000843086980 1222859012 /nfs/dbraw/zinc/85/90/12/1222859012.db2.gz IHIIVHPIUUVQIQ-NKFCBESUSA-N 1 0 364.358 0.593 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001330018477 1265926767 /nfs/dbraw/zinc/92/67/67/1265926767.db2.gz CJBGYRPLZASJTA-AWEZNQCLSA-N 1 0 362.386 0.620 10 5 FCBERO C[NH+]1CCC(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001335669558 1259775994 /nfs/dbraw/zinc/77/59/94/1259775994.db2.gz YMSLEUSLMKGNPQ-KBUPBQIOSA-N 1 0 352.435 0.395 10 5 FCBERO C[C@H]1[C@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC001479379571 1263188917 /nfs/dbraw/zinc/18/89/17/1263188917.db2.gz YKFAFQRWLXMCHL-CJYSPXJISA-N 1 0 352.391 0.381 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCc1ccsc1 ZINC001480138255 1263424874 /nfs/dbraw/zinc/42/48/74/1263424874.db2.gz BDAPJXQSFUGWIW-AAVRWANBSA-N 1 0 366.443 0.309 10 5 FCBERO CCC1([NH2+]CCN2C(=O)CCC2=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484812203 1263486895 /nfs/dbraw/zinc/48/68/95/1263486895.db2.gz OTTRLKYASGGSRF-CHWSQXEVSA-N 1 0 366.418 0.161 10 5 FCBERO Cc1ccc(NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001321057577 1263900974 /nfs/dbraw/zinc/90/09/74/1263900974.db2.gz QCZOWAOGGBDKKZ-FKZRYSJHSA-N 1 0 364.377 1.000 10 5 FCBERO CC(C)[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001497952277 1263959633 /nfs/dbraw/zinc/95/96/33/1263959633.db2.gz ZGAKUKGXOOBBNT-HUUCEWRRSA-N 1 0 354.451 0.689 10 5 FCBERO O=C(NC1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001499483919 1264030699 /nfs/dbraw/zinc/03/06/99/1264030699.db2.gz HQKHNVNUDMUUBI-ZIAGYGMSSA-N 1 0 364.446 0.825 10 5 FCBERO O=C(NCC1([NH2+]Cc2ccc(CO)cc2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001325002083 1264753969 /nfs/dbraw/zinc/75/39/69/1264753969.db2.gz HXENDTUEIPXZHG-HZPDHXFCSA-N 1 0 363.414 0.599 10 5 FCBERO O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N[C@@]12CC[N@H+](C1)CCC2 ZINC001535854608 1267310581 /nfs/dbraw/zinc/31/05/81/1267310581.db2.gz DDOQXAIKPRZBDW-KRWDZBQOSA-N 1 0 358.354 0.545 10 5 FCBERO CC[N@H+](CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(C)C ZINC001542947342 1267515029 /nfs/dbraw/zinc/51/50/29/1267515029.db2.gz CPCZLAPWEMNJRN-UHFFFAOYSA-N 1 0 358.420 0.702 10 5 FCBERO O=C(C[NH+]1CCC(CO)CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001544483302 1267581679 /nfs/dbraw/zinc/58/16/79/1267581679.db2.gz JHLGYXQMCDKUMJ-CQSZACIVSA-N 1 0 363.418 0.707 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001558051779 1269014870 /nfs/dbraw/zinc/01/48/70/1269014870.db2.gz ZFKOKZUWGXENGZ-ZIAGYGMSSA-N 1 0 364.402 0.251 10 5 FCBERO O=C(NCCN1CC[NH+](CCC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566649095 1269654907 /nfs/dbraw/zinc/65/49/07/1269654907.db2.gz HUNLUMQMQQXFIZ-HZPDHXFCSA-N 1 0 354.451 0.202 10 5 FCBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001567356114 1269691277 /nfs/dbraw/zinc/69/12/77/1269691277.db2.gz NIYBQYQRTCNOIL-LBPRGKRZSA-N 1 0 370.431 0.845 10 5 FCBERO CC1CCN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)CC1 ZINC001570103666 1269839400 /nfs/dbraw/zinc/83/94/00/1269839400.db2.gz CMEIDRZRAIQIFX-ZIAGYGMSSA-N 1 0 352.435 0.539 10 5 FCBERO CCc1onc(C)c1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001570301172 1269867834 /nfs/dbraw/zinc/86/78/34/1269867834.db2.gz MQRIZWQLPXPDPM-TZMCWYRMSA-N 1 0 366.418 0.966 10 5 FCBERO CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001571796031 1269958134 /nfs/dbraw/zinc/95/81/34/1269958134.db2.gz RERMNRLJMKRWJQ-CHWSQXEVSA-N 1 0 352.435 0.348 10 5 FCBERO C[N@H+](CC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001576410449 1273242433 /nfs/dbraw/zinc/24/24/33/1273242433.db2.gz HZHZFFWOYGJGCE-ZIAGYGMSSA-N 1 0 354.451 0.737 10 5 FCBERO C[NH+](C)C1(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCC1 ZINC001578562177 1275990617 /nfs/dbraw/zinc/99/06/17/1275990617.db2.gz WLTWMPYOOJAXFW-AAVRWANBSA-N 1 0 352.435 0.680 10 5 FCBERO CC(C)N(C)C(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001718002678 1287452856 /nfs/dbraw/zinc/45/28/56/1287452856.db2.gz BYTQRRYBYCXXSK-HUUCEWRRSA-N 1 0 366.462 0.879 10 5 FCBERO CN(CC(C)(C)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001718124264 1287460443 /nfs/dbraw/zinc/46/04/43/1287460443.db2.gz HMVVNFRGJBBVGN-CHWSQXEVSA-N 1 0 354.451 0.594 10 5 FCBERO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCC[NH+]1CCCCC1 ZINC001582947296 1282055443 /nfs/dbraw/zinc/05/54/43/1282055443.db2.gz PBDLGTQUTHZQJQ-HUUCEWRRSA-N 1 0 354.451 0.835 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001583471016 1282092404 /nfs/dbraw/zinc/09/24/04/1282092404.db2.gz FAHHQLTYCBCHDM-SNVBAGLBSA-N 1 0 354.388 0.209 10 5 FCBERO Cc1cc(C(=O)NCC(=O)N2CC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001587975725 1282390891 /nfs/dbraw/zinc/39/08/91/1282390891.db2.gz LIKCALRUZHTWLW-KRWDZBQOSA-N 1 0 364.402 0.158 10 5 FCBERO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001636979316 1282549684 /nfs/dbraw/zinc/54/96/84/1282549684.db2.gz RFWAXCXTUZHJHL-QGZVFWFLSA-N 1 0 361.402 0.882 10 5 FCBERO CC1CC[NH+](CC(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001718879678 1287594060 /nfs/dbraw/zinc/59/40/60/1287594060.db2.gz LAGWAMTWPGTELS-HZPDHXFCSA-N 1 0 364.446 0.658 10 5 FCBERO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001641753893 1282972848 /nfs/dbraw/zinc/97/28/48/1282972848.db2.gz LHKRTSQDWDTWTI-CYBMUJFWSA-N 1 0 364.402 0.468 10 5 FCBERO O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001702498146 1285693579 /nfs/dbraw/zinc/69/35/79/1285693579.db2.gz RQYGRAQAFOGCLG-QKPAOTATSA-N 1 0 366.462 0.929 10 5 FCBERO CCN(CCNC(=O)c1cccc(C[NH+](C)C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001704282891 1286214197 /nfs/dbraw/zinc/21/41/97/1286214197.db2.gz HVBNMRLIQNNBNV-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO CC(C)[N@H+](C)CC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001705443672 1286395352 /nfs/dbraw/zinc/39/53/52/1286395352.db2.gz HVSYIBMOTGWTND-ZIAGYGMSSA-N 1 0 354.451 0.737 10 5 FCBERO Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001707082628 1286437106 /nfs/dbraw/zinc/43/71/06/1286437106.db2.gz LFOLCRINPXMOTB-DDHJBXDOSA-N 1 0 351.363 0.071 10 5 FCBERO C[NH+](C)CC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCCCC1 ZINC001722086144 1288401839 /nfs/dbraw/zinc/40/18/39/1288401839.db2.gz UHDLYZHJRSMHMV-ZIAGYGMSSA-N 1 0 366.462 0.929 10 5 FCBERO CC(C)(C)NC(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001724784169 1288449281 /nfs/dbraw/zinc/44/92/81/1288449281.db2.gz BQNIWNILVURSRY-VXGBXAGGSA-N 1 0 355.439 0.378 10 5 FCBERO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CCCCCC1 ZINC001725351690 1288465964 /nfs/dbraw/zinc/46/59/64/1288465964.db2.gz BOEAKDOVNGRWDP-DTZQCDIJSA-N 1 0 366.462 0.975 10 5 FCBERO COc1nccc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001732322094 1288580897 /nfs/dbraw/zinc/58/08/97/1288580897.db2.gz YQTTVUYPADEGEX-HUUCEWRRSA-N 1 0 363.418 0.869 10 5 FCBERO CC(C)NC(=O)NCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001732402495 1288583659 /nfs/dbraw/zinc/58/36/59/1288583659.db2.gz LAVWCBXJJPCAGX-ZIAGYGMSSA-N 1 0 367.450 0.284 10 5 FCBERO CN(C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nccs1 ZINC001732849881 1288595519 /nfs/dbraw/zinc/59/55/19/1288595519.db2.gz FQQXZIWNVLNKJN-LVUHIJSRSA-N 1 0 353.404 0.033 10 5 FCBERO Cc1csc(=O)n1CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001734205712 1288645993 /nfs/dbraw/zinc/64/59/93/1288645993.db2.gz WCKPXNPSAZAPFQ-FDYHWXHSSA-N 1 0 354.432 0.368 10 5 FCBERO CCCN(CCNC(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737864482 1289600960 /nfs/dbraw/zinc/60/09/60/1289600960.db2.gz DTPDBTQNYNBIGO-ZIAGYGMSSA-N 1 0 352.435 0.635 10 5 FCBERO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564204 1290001735 /nfs/dbraw/zinc/00/17/35/1290001735.db2.gz CXZQUNUUHREBIL-IJEWVQPXSA-N 1 0 365.434 0.923 10 5 FCBERO O=C(CC[N@H+]1CCN2CCOC[C@@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001620618611 1290008557 /nfs/dbraw/zinc/00/85/57/1290008557.db2.gz JRPOERBHZVRRSI-KRWDZBQOSA-N 1 0 364.402 0.302 10 5 FCBERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001623265151 1290208466 /nfs/dbraw/zinc/20/84/66/1290208466.db2.gz QHLAYTGLDOMRGD-NWDGAFQWSA-N 1 0 370.431 0.424 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)[C@@H]2C1 ZINC001623651516 1290228230 /nfs/dbraw/zinc/22/82/30/1290228230.db2.gz APZUZNPPIFCDLY-ZLKJLUDKSA-N 1 0 357.374 0.641 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001643209205 1290860690 /nfs/dbraw/zinc/86/06/90/1290860690.db2.gz YDMUTHONWSQABB-MRXNPFEDSA-N 1 0 351.359 0.505 10 5 FCBERO COC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001643279012 1290869922 /nfs/dbraw/zinc/86/99/22/1290869922.db2.gz MWVIENPQZMEGJQ-CHWSQXEVSA-N 1 0 350.375 0.812 10 5 FCBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676606 1290970457 /nfs/dbraw/zinc/97/04/57/1290970457.db2.gz GPNRNSPJQYITDO-QGZVFWFLSA-N 1 0 351.403 0.743 10 5 FCBERO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CCOCCO ZINC001650939147 1291186588 /nfs/dbraw/zinc/18/65/88/1291186588.db2.gz HHRLWJGYUIFXFI-UHFFFAOYSA-N 1 0 369.374 0.037 10 5 FCBERO COCCCNC(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001652329539 1291275074 /nfs/dbraw/zinc/27/50/74/1291275074.db2.gz QTKGZLFGJIKWBN-UHFFFAOYSA-N 1 0 353.423 0.964 10 5 FCBERO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC001655551365 1291473441 /nfs/dbraw/zinc/47/34/41/1291473441.db2.gz DTPNWAZHMDTGSB-GFCCVEGCSA-N 1 0 372.447 0.643 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001655575451 1291474241 /nfs/dbraw/zinc/47/42/41/1291474241.db2.gz FETQLBXMYNWKOS-INIZCTEOSA-N 1 0 353.423 0.385 10 5 FCBERO COC(=O)C1([C@]2(O)CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC001660337812 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MVQRZYOOXQJNGF-KBUPBQIOSA-N 1 0 354.451 0.642 10 5 FCBERO CCn1nnc(C)c1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001269545632 859551152 /nfs/dbraw/zinc/55/11/52/859551152.db2.gz XIFCQVDVGWDTPU-CHWSQXEVSA-N 1 0 350.423 0.790 10 5 FCBERO CN(CC1CC1)C(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001270225658 859690956 /nfs/dbraw/zinc/69/09/56/859690956.db2.gz LSRHKSWHEHEXMT-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO CC(C)N(C)C(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001272726836 860240629 /nfs/dbraw/zinc/24/06/29/860240629.db2.gz KKOSFKZUPYHRDQ-KBUPBQIOSA-N 1 0 354.451 0.783 10 5 FCBERO COc1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)on1 ZINC001273968195 860644518 /nfs/dbraw/zinc/64/45/18/860644518.db2.gz DYGRXVNRZHGWSM-VXGBXAGGSA-N 1 0 354.363 0.103 10 5 FCBERO O=C(NCC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001281540556 863526215 /nfs/dbraw/zinc/52/62/15/863526215.db2.gz ZCMONNHVTYEDHA-CHWSQXEVSA-N 1 0 350.419 0.150 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001286452334 864694804 /nfs/dbraw/zinc/69/48/04/864694804.db2.gz AHQHCVBXFQEDNW-KBUPBQIOSA-N 1 0 352.435 0.539 10 5 FCBERO CCO[C@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001288686746 864799796 /nfs/dbraw/zinc/79/97/96/864799796.db2.gz ZRBLHGGUBVCIMX-GFCCVEGCSA-N 1 0 373.431 0.695 10 5 FCBERO CCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001292799365 865751931 /nfs/dbraw/zinc/75/19/31/865751931.db2.gz HHPFYFJGNLYCII-UHFFFAOYSA-N 1 0 370.431 0.427 10 5 FCBERO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001297088695 866005733 /nfs/dbraw/zinc/00/57/33/866005733.db2.gz CQEUZDFEUCAXJP-ZIAGYGMSSA-N 1 0 352.435 0.632 10 5 FCBERO COc1ccc(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC001346280998 871748309 /nfs/dbraw/zinc/74/83/09/871748309.db2.gz MQDFHONZBLBHNR-UHFFFAOYSA-N 1 0 350.375 0.465 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1F ZINC001347063750 872141576 /nfs/dbraw/zinc/14/15/76/872141576.db2.gz VGKSSGBKTSPLEP-VXGBXAGGSA-N 1 0 358.757 0.762 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000265877127 210241967 /nfs/dbraw/zinc/24/19/67/210241967.db2.gz RYHVBUZYTKTFLJ-LBPRGKRZSA-N 1 0 372.447 0.518 10 5 FCBERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285194723 213300995 /nfs/dbraw/zinc/30/09/95/213300995.db2.gz VNVMYHQZKZOQKX-CABCVRRESA-N 1 0 355.416 0.830 10 5 FCBERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000284999266 213263489 /nfs/dbraw/zinc/26/34/89/213263489.db2.gz YMXUVASUTYVNQU-DLBZAZTESA-N 1 0 360.414 0.889 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262302154 209563734 /nfs/dbraw/zinc/56/37/34/209563734.db2.gz XQGCKGFVUISGFQ-ZDUSSCGKSA-N 1 0 370.431 0.272 10 5 FCBERO CCn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000373269741 217003177 /nfs/dbraw/zinc/00/31/77/217003177.db2.gz WBUGAUJUPFUHGT-CQSZACIVSA-N 1 0 374.397 0.969 10 5 FCBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418014640 245745770 /nfs/dbraw/zinc/74/57/70/245745770.db2.gz CUUBCGIWFJCSBS-GWCFXTLKSA-N 1 0 356.404 0.500 10 5 FCBERO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419326433 246101819 /nfs/dbraw/zinc/10/18/19/246101819.db2.gz CGIWJDCRCVTPSY-QLFBSQMISA-N 1 0 353.419 0.721 10 5 FCBERO COc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419345550 246109166 /nfs/dbraw/zinc/10/91/66/246109166.db2.gz UAMWIOBVGCTYBW-CHWSQXEVSA-N 1 0 366.418 0.929 10 5 FCBERO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423306585 247001296 /nfs/dbraw/zinc/00/12/96/247001296.db2.gz LYKSKGYALLPNMQ-CZUORRHYSA-N 1 0 358.398 0.690 10 5 FCBERO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423976374 247155322 /nfs/dbraw/zinc/15/53/22/247155322.db2.gz QVGFVPKLULTVNW-IAQYHMDHSA-N 1 0 370.431 0.316 10 5 FCBERO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000452389778 249316077 /nfs/dbraw/zinc/31/60/77/249316077.db2.gz MRWDRQAQHYOHFS-GFCCVEGCSA-N 1 0 365.386 0.943 10 5 FCBERO Cc1nn(CCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(C)c1[N+](=O)[O-] ZINC000452397044 249316298 /nfs/dbraw/zinc/31/62/98/249316298.db2.gz ZBSAPGNHZHCTKF-AWEZNQCLSA-N 1 0 353.423 0.761 10 5 FCBERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000452387927 249317428 /nfs/dbraw/zinc/31/74/28/249317428.db2.gz IKPNDLFBXCHTLS-AWEZNQCLSA-N 1 0 374.401 0.752 10 5 FCBERO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060437 488914167 /nfs/dbraw/zinc/91/41/67/488914167.db2.gz LMOASAALNDUNPA-MLGOLLRUSA-N 1 0 364.358 0.009 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081666345 488443831 /nfs/dbraw/zinc/44/38/31/488443831.db2.gz LQDMTJLESHQTBM-UHFFFAOYSA-N 1 0 366.422 0.585 10 5 FCBERO COCC[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248373390 488495032 /nfs/dbraw/zinc/49/50/32/488495032.db2.gz IPKJOXRTHIIGIH-HUUCEWRRSA-N 1 0 353.419 0.987 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCNC[C@@H]2c2cccnc2)c([N+](=O)[O-])n1 ZINC000261660808 488529369 /nfs/dbraw/zinc/52/93/69/488529369.db2.gz IFEQKYSOCXATJI-GFCCVEGCSA-N 1 0 366.403 0.541 10 5 FCBERO NS(=O)(=O)c1ccc(NCCC[N@H+](C2CC2)C2COC2)c([N+](=O)[O-])c1 ZINC000116885015 488549711 /nfs/dbraw/zinc/54/97/11/488549711.db2.gz DMTUGINPVDLVOB-UHFFFAOYSA-N 1 0 370.431 0.907 10 5 FCBERO CCC[C@@H]([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262255264 488559546 /nfs/dbraw/zinc/55/95/46/488559546.db2.gz DYDLXPDNFMSKCE-LLVKDONJSA-N 1 0 358.420 0.654 10 5 FCBERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000262294743 488562195 /nfs/dbraw/zinc/56/21/95/488562195.db2.gz OZGOYTYDOKZRNL-XCBNKYQSSA-N 1 0 361.301 0.515 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000273048864 488627840 /nfs/dbraw/zinc/62/78/40/488627840.db2.gz FDZSJDGKQYEWKT-AWEZNQCLSA-N 1 0 359.386 0.825 10 5 FCBERO COCCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000273051959 488627899 /nfs/dbraw/zinc/62/78/99/488627899.db2.gz GHOCIMNACWWOQE-ZDUSSCGKSA-N 1 0 372.447 0.183 10 5 FCBERO COc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1 ZINC000264174618 488652658 /nfs/dbraw/zinc/65/26/58/488652658.db2.gz XOZAQYSGEIJGOM-UHFFFAOYSA-N 1 0 358.358 0.819 10 5 FCBERO Cc1n[nH]c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000264381620 488668857 /nfs/dbraw/zinc/66/88/57/488668857.db2.gz FMFINZNBQGGGJL-CYBMUJFWSA-N 1 0 350.423 0.868 10 5 FCBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000160325894 488790353 /nfs/dbraw/zinc/79/03/53/488790353.db2.gz DFKWTJKLTUEXEE-OAHLLOKOSA-N 1 0 374.401 0.752 10 5 FCBERO C[C@H]1C[N@@H+](C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000161637535 488797917 /nfs/dbraw/zinc/79/79/17/488797917.db2.gz IARMFHZDFHJAGP-ZDUSSCGKSA-N 1 0 366.422 0.686 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173938218 488846558 /nfs/dbraw/zinc/84/65/58/488846558.db2.gz FHXZEYIVTWCGEK-JKSUJKDBSA-N 1 0 351.403 0.741 10 5 FCBERO O=c1nc(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)[nH][nH]1 ZINC000281045738 489049157 /nfs/dbraw/zinc/04/91/57/489049157.db2.gz QHYRSKDEDBHEHY-GFCCVEGCSA-N 1 0 363.374 0.626 10 5 FCBERO COC(=O)[C@]12C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000369547607 489251437 /nfs/dbraw/zinc/25/14/37/489251437.db2.gz BSRZZQLLFIDJJO-SUMWQHHRSA-N 1 0 363.370 0.705 10 5 FCBERO CNC(=O)CN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363132794 489428502 /nfs/dbraw/zinc/42/85/02/489428502.db2.gz HNUDMKAGMWUYQB-UHFFFAOYSA-N 1 0 363.418 0.677 10 5 FCBERO O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1cccnc1 ZINC000563617821 491258905 /nfs/dbraw/zinc/25/89/05/491258905.db2.gz HLSKTNONQYEIPY-CABCVRRESA-N 1 0 360.374 0.332 10 5 FCBERO CCN1C(=O)N=NC1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000371289736 489474237 /nfs/dbraw/zinc/47/42/37/489474237.db2.gz OTQWWSDILAKBHI-ZDUSSCGKSA-N 1 0 365.394 0.349 10 5 FCBERO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415869453 489562193 /nfs/dbraw/zinc/56/21/93/489562193.db2.gz RALDSDTXOPBQGP-LBPRGKRZSA-N 1 0 364.402 0.935 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426456150 489568348 /nfs/dbraw/zinc/56/83/48/489568348.db2.gz FDROEWPKHZOIMS-CYBMUJFWSA-N 1 0 366.418 0.930 10 5 FCBERO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000418708094 489719590 /nfs/dbraw/zinc/71/95/90/489719590.db2.gz UCKFTVBEVPHFOX-ZJUUUORDSA-N 1 0 355.420 0.859 10 5 FCBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000474347379 489755900 /nfs/dbraw/zinc/75/59/00/489755900.db2.gz FNPYVAATTHYNOM-GFCCVEGCSA-N 1 0 351.359 0.857 10 5 FCBERO CC1(C)NC(=O)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494915707 489920004 /nfs/dbraw/zinc/92/00/04/489920004.db2.gz PSBSPSODGABBJZ-CYBMUJFWSA-N 1 0 370.431 0.520 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420480779 489983257 /nfs/dbraw/zinc/98/32/57/489983257.db2.gz PKJFNPXHHLCCGP-WDEREUQCSA-N 1 0 371.415 0.987 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000378243445 490032952 /nfs/dbraw/zinc/03/29/52/490032952.db2.gz MZGHKWBRYKWBAW-CABCVRRESA-N 1 0 355.416 0.877 10 5 FCBERO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC([NH+](C)C)C1 ZINC000497704440 490198591 /nfs/dbraw/zinc/19/85/91/490198591.db2.gz HSNNHPKAJQOTQJ-LLVKDONJSA-N 1 0 370.431 0.812 10 5 FCBERO CC(C)C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCC[NH+](C)C ZINC000534786009 490408828 /nfs/dbraw/zinc/40/88/28/490408828.db2.gz PAYXDASUXNFXSH-ZDUSSCGKSA-N 1 0 354.411 0.000 10 5 FCBERO COC(=O)c1cc(C)nc(NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000450601998 490477999 /nfs/dbraw/zinc/47/79/99/490477999.db2.gz ZHHBCJWJBHOHLX-GFCCVEGCSA-N 1 0 352.391 1.344 10 5 FCBERO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC(C)(CO)C2)c([N+](=O)[O-])c1 ZINC000450788172 490490380 /nfs/dbraw/zinc/49/03/80/490490380.db2.gz DQIBVSLQBBXIAN-UHFFFAOYSA-N 1 0 372.447 0.253 10 5 FCBERO O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1ccccc1 ZINC000564857209 491331815 /nfs/dbraw/zinc/33/18/15/491331815.db2.gz ZBRYZHYFYPZYKB-HZPDHXFCSA-N 1 0 359.386 0.937 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423036820 490526476 /nfs/dbraw/zinc/52/64/76/490526476.db2.gz LQZXYXPBXGVIAF-HOTGVXAUSA-N 1 0 369.443 0.725 10 5 FCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000487091264 490692123 /nfs/dbraw/zinc/69/21/23/490692123.db2.gz HOKUVVMWEUELRV-DOMZBBRYSA-N 1 0 362.434 0.551 10 5 FCBERO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000487091268 490692227 /nfs/dbraw/zinc/69/22/27/490692227.db2.gz HOKUVVMWEUELRV-SWLSCSKDSA-N 1 0 362.434 0.551 10 5 FCBERO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513972872 490756666 /nfs/dbraw/zinc/75/66/66/490756666.db2.gz LLXDQPGKDZGTOY-AWEZNQCLSA-N 1 0 368.459 0.998 10 5 FCBERO CC(C)C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000541924609 490878793 /nfs/dbraw/zinc/87/87/93/490878793.db2.gz HLFHEJAOKUOUDL-ZDUSSCGKSA-N 1 0 366.422 0.626 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542912854 490915492 /nfs/dbraw/zinc/91/54/92/490915492.db2.gz WTFCNGXITXBBBC-AWEZNQCLSA-N 1 0 360.374 0.069 10 5 FCBERO O=C(NCCCN1CCNC(=O)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000569760320 491189076 /nfs/dbraw/zinc/18/90/76/491189076.db2.gz ZEPNBTTXVKSIBK-UHFFFAOYSA-N 1 0 372.328 0.748 10 5 FCBERO O=C(CCOC1C[NH2+]C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000566098334 491417185 /nfs/dbraw/zinc/41/71/85/491417185.db2.gz DHQPAVZALVWFOC-UHFFFAOYSA-N 1 0 362.386 0.258 10 5 FCBERO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000584470680 491595007 /nfs/dbraw/zinc/59/50/07/491595007.db2.gz CTAVEQGWXSCBJI-GFCCVEGCSA-N 1 0 371.344 0.507 10 5 FCBERO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000577851038 491656931 /nfs/dbraw/zinc/65/69/31/491656931.db2.gz XYDPIRZSIGXMHP-TXEJJXNPSA-N 1 0 368.415 0.165 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000590562482 491779578 /nfs/dbraw/zinc/77/95/78/491779578.db2.gz LVHWDZIMOFUVOV-ZIAGYGMSSA-N 1 0 351.407 0.811 10 5 FCBERO CCOC(=O)c1ccnc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000591984320 491826805 /nfs/dbraw/zinc/82/68/05/491826805.db2.gz DNIAHSUSYJZSJG-NSHDSACASA-N 1 0 365.390 0.723 10 5 FCBERO CC[C@H](Cn1cncn1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000584282222 491862140 /nfs/dbraw/zinc/86/21/40/491862140.db2.gz RFZMMRPKFPVSIS-GFCCVEGCSA-N 1 0 368.419 0.533 10 5 FCBERO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000595109477 491884236 /nfs/dbraw/zinc/88/42/36/491884236.db2.gz GYPNGDYTHPRJSE-TZMCWYRMSA-N 1 0 370.431 0.897 10 5 FCBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000601103431 491896853 /nfs/dbraw/zinc/89/68/53/491896853.db2.gz WINHDFVYRUXKKA-UHFFFAOYSA-N 1 0 364.328 0.557 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1F ZINC000595260911 491908235 /nfs/dbraw/zinc/90/82/35/491908235.db2.gz NCCKDCJQBBPXGG-MXWKQRLJSA-N 1 0 354.338 0.690 10 5 FCBERO CC(C)[C@H]([NH3+])CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595987269 491969023 /nfs/dbraw/zinc/96/90/23/491969023.db2.gz KYADMKITRNYXDL-CQSZACIVSA-N 1 0 351.407 0.884 10 5 FCBERO O=C1N(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCCN12 ZINC000596065887 491974405 /nfs/dbraw/zinc/97/44/05/491974405.db2.gz XXZHRSVXKKQUIH-OCCSQVGLSA-N 1 0 352.395 0.032 10 5 FCBERO COC(=O)c1cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596538599 491988948 /nfs/dbraw/zinc/98/89/48/491988948.db2.gz MPYJOGHMQCJVMZ-ZDUSSCGKSA-N 1 0 350.375 0.812 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 ZINC000596569635 491991195 /nfs/dbraw/zinc/99/11/95/491991195.db2.gz YXVXWOUGEJVFTP-ZDUSSCGKSA-N 1 0 372.447 0.789 10 5 FCBERO CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C)C1 ZINC000597946582 492074677 /nfs/dbraw/zinc/07/46/77/492074677.db2.gz PVUWQFZHXUEWKV-CYBMUJFWSA-N 1 0 362.386 0.873 10 5 FCBERO Cc1nn(CCC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)c1[N+](=O)[O-] ZINC000598454653 492099587 /nfs/dbraw/zinc/09/95/87/492099587.db2.gz XQJIUWILAQOZPW-OAHLLOKOSA-N 1 0 365.434 0.856 10 5 FCBERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598536275 492103625 /nfs/dbraw/zinc/10/36/25/492103625.db2.gz QLZSYODQYIQOLV-ZDUSSCGKSA-N 1 0 351.407 0.893 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598723239 492116022 /nfs/dbraw/zinc/11/60/22/492116022.db2.gz FSMPEDZCWLXDQF-BMIGLBTASA-N 1 0 369.399 0.883 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]CCc2nnnn2C)cc1[N+](=O)[O-] ZINC000616092912 492116825 /nfs/dbraw/zinc/11/68/25/492116825.db2.gz SVVHBSPHZLBVNV-UHFFFAOYSA-N 1 0 350.335 0.002 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]C[C@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991241 492129069 /nfs/dbraw/zinc/12/90/69/492129069.db2.gz XGGCSKJASIZRNO-DZGCQCFKSA-N 1 0 354.359 0.776 10 5 FCBERO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599898257 492215762 /nfs/dbraw/zinc/21/57/62/492215762.db2.gz QKYNNRSVKPDRLW-LBPRGKRZSA-N 1 0 364.402 0.935 10 5 FCBERO [NH3+]C1(CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCOCC1 ZINC000599929749 492218233 /nfs/dbraw/zinc/21/82/33/492218233.db2.gz CALUNFMMMVGJOS-UHFFFAOYSA-N 1 0 363.418 0.934 10 5 FCBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599964237 492223652 /nfs/dbraw/zinc/22/36/52/492223652.db2.gz FXDHPXIFJLYZGZ-QWHCGFSZSA-N 1 0 364.406 0.212 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599967575 492224383 /nfs/dbraw/zinc/22/43/83/492224383.db2.gz ANPQCXVJIJZPDX-QWHCGFSZSA-N 1 0 361.402 0.110 10 5 FCBERO Cc1nn(CCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000618924465 492243488 /nfs/dbraw/zinc/24/34/88/492243488.db2.gz YOADNJPOAHDWJT-INIZCTEOSA-N 1 0 353.423 0.713 10 5 FCBERO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262258630 534753365 /nfs/dbraw/zinc/75/33/65/534753365.db2.gz MANZQNAHOHGRKK-ACJLOTCBSA-N 1 0 351.406 0.851 10 5 FCBERO CCO[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593705216 546989156 /nfs/dbraw/zinc/98/91/56/546989156.db2.gz SJXHKBGQUNEXQT-IUODEOHRSA-N 1 0 352.391 0.979 10 5 FCBERO CCO[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C[NH3+] ZINC000593731079 546990631 /nfs/dbraw/zinc/99/06/31/546990631.db2.gz QMEJLURGLOLANJ-ZYHUDNBSSA-N 1 0 359.404 0.588 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593918998 546995396 /nfs/dbraw/zinc/99/53/96/546995396.db2.gz LQBDWCLRIYMMNO-BFHYXJOUSA-N 1 0 351.407 0.987 10 5 FCBERO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000594450701 546998748 /nfs/dbraw/zinc/99/87/48/546998748.db2.gz RIAHDVOHFAGRAU-IONNQARKSA-N 1 0 364.280 0.798 10 5 FCBERO Cc1c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000594405656 546999016 /nfs/dbraw/zinc/99/90/16/546999016.db2.gz ZCVMMEJHDWDTLO-PHIMTYICSA-N 1 0 370.431 0.621 10 5 FCBERO COc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594532413 547000989 /nfs/dbraw/zinc/00/09/89/547000989.db2.gz RCVQPTITDCJTAP-VIFPVBQESA-N 1 0 350.253 0.548 10 5 FCBERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262327037 665112698 /nfs/dbraw/zinc/11/26/98/665112698.db2.gz UHJPKJCTMPZOTR-IINYFYTJSA-N 1 0 372.447 0.900 10 5 FCBERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262595642 665184323 /nfs/dbraw/zinc/18/43/23/665184323.db2.gz UOEONTLRWDFHDI-FZMZJTMJSA-N 1 0 370.431 0.507 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000828081807 669615391 /nfs/dbraw/zinc/61/53/91/669615391.db2.gz CDVJBCBWUYPJFH-SECBINFHSA-N 1 0 362.433 0.397 10 5 FCBERO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)CC1C[NH+](C)C1 ZINC000853824957 671558436 /nfs/dbraw/zinc/55/84/36/671558436.db2.gz AEORYDLBEBWAQB-UHFFFAOYSA-N 1 0 358.420 0.775 10 5 FCBERO COc1ccc(C(=O)NCC(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000857231263 671721285 /nfs/dbraw/zinc/72/12/85/671721285.db2.gz BQDZCSAWTSCOCN-UHFFFAOYSA-N 1 0 350.375 0.542 10 5 FCBERO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860195088 671874932 /nfs/dbraw/zinc/87/49/32/671874932.db2.gz NKNHYOAZHPWHHA-SWLSCSKDSA-N 1 0 357.432 0.889 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000861517754 671968020 /nfs/dbraw/zinc/96/80/20/671968020.db2.gz PYESBYPSBUYQEZ-UHFFFAOYSA-N 1 0 356.354 0.675 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869082026 672420990 /nfs/dbraw/zinc/42/09/90/672420990.db2.gz SQRMHIQSYREEKC-NSHDSACASA-N 1 0 352.366 0.855 10 5 FCBERO CCN(C(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)C1CC1 ZINC001481897263 1187545849 /nfs/dbraw/zinc/54/58/49/1187545849.db2.gz UFYLGQHBJFTCMI-ZIAGYGMSSA-N 1 0 352.435 0.681 10 5 FCBERO CN(C)C(=O)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001268540109 1187583305 /nfs/dbraw/zinc/58/33/05/1187583305.db2.gz BPOHIKFJBPJZES-JGPFYOFESA-N 1 0 360.414 0.816 10 5 FCBERO CCn1cc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cn1 ZINC001271038300 1189524115 /nfs/dbraw/zinc/52/41/15/1189524115.db2.gz JYGLHMDCMLCZDT-HUUCEWRRSA-N 1 0 365.434 0.366 10 5 FCBERO COc1cc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000592872902 1196585669 /nfs/dbraw/zinc/58/56/69/1196585669.db2.gz MYIUGCGTDXOEBF-JTQLQIEISA-N 1 0 368.365 0.935 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594403238 1196716586 /nfs/dbraw/zinc/71/65/86/1196716586.db2.gz ODFBLTRXRLFKDR-OTVXOJSOSA-N 1 0 363.418 0.850 10 5 FCBERO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393760 1196718710 /nfs/dbraw/zinc/71/87/10/1196718710.db2.gz PBDLPBMGOUGZLR-JKSUJKDBSA-N 1 0 357.370 0.672 10 5 FCBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(F)c1N1CCOCC1 ZINC000594603097 1196728832 /nfs/dbraw/zinc/72/88/32/1196728832.db2.gz IXBOMWCHLUOPLZ-QWHCGFSZSA-N 1 0 366.393 0.826 10 5 FCBERO COc1ccc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593178016 1196759918 /nfs/dbraw/zinc/75/99/18/1196759918.db2.gz KPQULIRLTPPQFW-UHFFFAOYSA-N 1 0 365.390 0.841 10 5 FCBERO COc1ccc(CC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593234082 1196765195 /nfs/dbraw/zinc/76/51/95/1196765195.db2.gz DHESLVUKNBFXOE-UHFFFAOYSA-N 1 0 364.402 0.378 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000594105464 1196859675 /nfs/dbraw/zinc/85/96/75/1196859675.db2.gz GHCSBQMVKYSIIT-KLPPZKSPSA-N 1 0 360.370 0.647 10 5 FCBERO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000816948890 1203083838 /nfs/dbraw/zinc/08/38/38/1203083838.db2.gz JIRGHOUIIZSWMG-SMDDNHRTSA-N 1 0 363.370 0.957 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000844042950 1203331281 /nfs/dbraw/zinc/33/12/81/1203331281.db2.gz YEZFWDXAIFBQLE-SNVBAGLBSA-N 1 0 365.346 0.695 10 5 FCBERO C[C@H](CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[NH+](C)CC1 ZINC001144220637 1204437232 /nfs/dbraw/zinc/43/72/32/1204437232.db2.gz OZKUADXBTRXWTG-CYBMUJFWSA-N 1 0 373.417 0.541 10 5 FCBERO NC(=O)Cc1cccc2c1CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001175276969 1206302624 /nfs/dbraw/zinc/30/26/24/1206302624.db2.gz NGXQDDJIXYRLMI-HNNXBMFYSA-N 1 0 359.386 0.238 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000794928582 1209997869 /nfs/dbraw/zinc/99/78/69/1209997869.db2.gz JCGFWAMPYKBFKH-YJBOKZPZSA-N 1 0 373.457 0.879 10 5 FCBERO O=C(NC/C=C\C[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274017725 1210861552 /nfs/dbraw/zinc/86/15/52/1210861552.db2.gz VOFRJCGBLOCYON-RAQZUPNJSA-N 1 0 371.397 0.324 10 5 FCBERO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001251660291 1259754394 /nfs/dbraw/zinc/75/43/94/1259754394.db2.gz NQZWPIYRPYZDED-CQSZACIVSA-N 1 0 364.450 0.942 10 5 FCBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001261876876 1260206840 /nfs/dbraw/zinc/20/68/40/1260206840.db2.gz RKTOUKYJRUHNSN-ZBFHGGJFSA-N 1 0 360.414 0.949 10 5 FCBERO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@@H]21 ZINC001332012146 1266315548 /nfs/dbraw/zinc/31/55/48/1266315548.db2.gz JIZYNEHENNEVTK-BBRMVZONSA-N 1 0 358.398 0.990 10 5 FCBERO O=C(NCc1ccc(C[NH2+]CCn2cncn2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001279709679 1260918744 /nfs/dbraw/zinc/91/87/44/1260918744.db2.gz FFKXBYACOILYBI-UKRRQHHQSA-N 1 0 362.365 0.488 10 5 FCBERO C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(C)(C)C1 ZINC001472025894 1261426603 /nfs/dbraw/zinc/42/66/03/1261426603.db2.gz HYCOJSNLRZYFQK-GFCCVEGCSA-N 1 0 360.370 0.647 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001472258437 1261455999 /nfs/dbraw/zinc/45/59/99/1261455999.db2.gz GJOXIHNWCCZUDT-KBPBESRZSA-N 1 0 351.407 0.547 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC001472589868 1261476720 /nfs/dbraw/zinc/47/67/20/1261476720.db2.gz HJRZANACQDIAMI-UHFFFAOYSA-N 1 0 351.407 0.778 10 5 FCBERO C[NH+](C)C1(CC(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCCC1 ZINC001283410103 1261683861 /nfs/dbraw/zinc/68/38/61/1261683861.db2.gz MTMAPIFNZBIGIX-HUUCEWRRSA-N 1 0 366.462 0.977 10 5 FCBERO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001288991379 1262061903 /nfs/dbraw/zinc/06/19/03/1262061903.db2.gz VOGFAJCEWQISAA-CYBMUJFWSA-N 1 0 357.370 0.889 10 5 FCBERO C[NH+]1CCC(CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001297518397 1262875361 /nfs/dbraw/zinc/87/53/61/1262875361.db2.gz MRYQOVNPZFVMIJ-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298329285 1262922495 /nfs/dbraw/zinc/92/24/95/1262922495.db2.gz YIAPZSRCTANHLI-CQSZACIVSA-N 1 0 374.401 0.752 10 5 FCBERO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC([NH+]2CCC2)CC1 ZINC001301169492 1263001527 /nfs/dbraw/zinc/00/15/27/1263001527.db2.gz TXFZFQVYULVLPU-UHFFFAOYSA-N 1 0 372.381 0.888 10 5 FCBERO C[NH+](C)CCn1nccc1C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425455 1263047780 /nfs/dbraw/zinc/04/77/80/1263047780.db2.gz QSPVFYVFSSSRLC-QGZVFWFLSA-N 1 0 361.402 0.990 10 5 FCBERO CS(=O)(=O)CC1(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)CC1 ZINC001484633960 1263479360 /nfs/dbraw/zinc/47/93/60/1263479360.db2.gz FQRQZFNOBGLZSY-VXGBXAGGSA-N 1 0 359.448 0.105 10 5 FCBERO CCN(CC[NH2+]Cc1cnnn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497391066 1263927319 /nfs/dbraw/zinc/92/73/19/1263927319.db2.gz NHKYEDCLXMDIFF-HZPDHXFCSA-N 1 0 358.402 0.871 10 5 FCBERO O=C(NCCCC[NH+]1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001322102622 1264146369 /nfs/dbraw/zinc/14/63/69/1264146369.db2.gz CTTPULZBTYPDCO-UHFFFAOYSA-N 1 0 364.402 0.440 10 5 FCBERO CC(C)[N@H+](C)CC(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001509794481 1264467946 /nfs/dbraw/zinc/46/79/46/1264467946.db2.gz JDBCGWZTOIHVEF-DTDBQYNISA-N 1 0 366.462 0.689 10 5 FCBERO CCC[N@H+](C)CCC(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001510159729 1264484076 /nfs/dbraw/zinc/48/40/76/1264484076.db2.gz VNQDAWNBGMJTDY-HUUCEWRRSA-N 1 0 354.451 0.833 10 5 FCBERO CCC[N@H+](C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001512295732 1264615871 /nfs/dbraw/zinc/61/58/71/1264615871.db2.gz MZOGEUVXHBWJOH-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CC(N3CC[NH+](CC)CC3)C2)c1[N+](=O)[O-] ZINC001522288996 1266469902 /nfs/dbraw/zinc/46/99/02/1266469902.db2.gz KDIVSFQXEFDRHX-UHFFFAOYSA-N 1 0 350.423 0.732 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCCN2CCSC[C@@H]12 ZINC001334424730 1266993579 /nfs/dbraw/zinc/99/35/79/1266993579.db2.gz SSBGIXUTMKUBOS-AAEUAGOBSA-N 1 0 352.416 0.453 10 5 FCBERO C[NH+](C)C1(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CCC1 ZINC001531582733 1267141472 /nfs/dbraw/zinc/14/14/72/1267141472.db2.gz VQPUXZOQPSUKQD-CHWSQXEVSA-N 1 0 352.435 0.681 10 5 FCBERO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@]12CC[N@H+](C1)CCC2 ZINC001532499424 1267174560 /nfs/dbraw/zinc/17/45/60/1267174560.db2.gz CNAHHQZVSFQPPZ-KRWDZBQOSA-N 1 0 358.354 0.545 10 5 FCBERO Cc1c(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001533492671 1267219797 /nfs/dbraw/zinc/21/97/97/1267219797.db2.gz KJAAPJSFIHEAEW-OKYAQOQYSA-N 1 0 357.370 0.710 10 5 FCBERO CC(C)(C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001533490619 1267220563 /nfs/dbraw/zinc/22/05/63/1267220563.db2.gz BIICYKCSMPRCGY-KOABKASLSA-N 1 0 352.435 0.705 10 5 FCBERO C[N@H+](CC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001537134985 1267357344 /nfs/dbraw/zinc/35/73/44/1267357344.db2.gz BGOWQDMCQFRRKE-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO C[NH+]1CCC(C(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001340528441 1268577615 /nfs/dbraw/zinc/57/76/15/1268577615.db2.gz PEHWPQBUPXLLEM-ZIAGYGMSSA-N 1 0 352.435 0.396 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001558051773 1269013910 /nfs/dbraw/zinc/01/39/10/1269013910.db2.gz ZFKOKZUWGXENGZ-KBPBESRZSA-N 1 0 364.402 0.251 10 5 FCBERO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001559500591 1269170773 /nfs/dbraw/zinc/17/07/73/1269170773.db2.gz GLZGAAOWEUMVES-GXTWGEPZSA-N 1 0 353.423 0.963 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001560060278 1269184395 /nfs/dbraw/zinc/18/43/95/1269184395.db2.gz JFFQNDNZQSVJFO-IAGOWNOFSA-N 1 0 360.370 0.826 10 5 FCBERO CCS(=O)(=O)CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570373370 1269874094 /nfs/dbraw/zinc/87/40/94/1269874094.db2.gz TXPJFYWSZSFVBU-CHWSQXEVSA-N 1 0 361.464 0.447 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OCCC[NH2+]Cc2cnon2)CC1 ZINC001570785977 1269914435 /nfs/dbraw/zinc/91/44/35/1269914435.db2.gz YSABQCSOJFOQIZ-ZIAGYGMSSA-N 1 0 353.379 0.222 10 5 FCBERO CCCCNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001571059578 1269924984 /nfs/dbraw/zinc/92/49/84/1269924984.db2.gz OMGYKLBAJDUAJR-DTDBQYNISA-N 1 0 366.462 0.738 10 5 FCBERO C[N@H+](CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)CC(C)(C)C ZINC001572065184 1269993334 /nfs/dbraw/zinc/99/33/34/1269993334.db2.gz XYXMQPGXLAJOHS-AAVRWANBSA-N 1 0 354.451 0.641 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001576455219 1273286661 /nfs/dbraw/zinc/28/66/61/1273286661.db2.gz GBTHEKQAEPDPIB-HZPDHXFCSA-N 1 0 366.462 0.882 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCc1cccs1 ZINC001713948450 1287307482 /nfs/dbraw/zinc/30/74/82/1287307482.db2.gz NFWOUNXHNNGHNB-HBJVGIJOSA-N 1 0 366.443 0.309 10 5 FCBERO CCN(CC[NH2+]Cc1cc(-c2cnn(C)c2)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716217359 1287374296 /nfs/dbraw/zinc/37/42/96/1287374296.db2.gz PQUZFXVSNSCWRY-UKRRQHHQSA-N 1 0 362.390 0.678 10 5 FCBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001716884188 1287392428 /nfs/dbraw/zinc/39/24/28/1287392428.db2.gz SKHJLLXJRZNRGQ-ZIAGYGMSSA-N 1 0 352.435 0.396 10 5 FCBERO CN(C(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001717120086 1287407790 /nfs/dbraw/zinc/40/77/90/1287407790.db2.gz AMCBEROEFCWUGE-QHSBEEBCSA-N 1 0 352.435 0.537 10 5 FCBERO C[N@@H+]1CC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001635415789 1282404247 /nfs/dbraw/zinc/40/42/47/1282404247.db2.gz QMXUYUCNWVDJTO-LBPRGKRZSA-N 1 0 356.404 0.084 10 5 FCBERO O=C(N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001636312350 1282484188 /nfs/dbraw/zinc/48/41/88/1282484188.db2.gz DSXQFTRSPXMTBC-CHWSQXEVSA-N 1 0 350.375 0.803 10 5 FCBERO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001641753894 1282972058 /nfs/dbraw/zinc/97/20/58/1282972058.db2.gz LHKRTSQDWDTWTI-ZDUSSCGKSA-N 1 0 364.402 0.468 10 5 FCBERO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001641852158 1282975424 /nfs/dbraw/zinc/97/54/24/1282975424.db2.gz BGIDAUSNWPLBRK-LBPRGKRZSA-N 1 0 369.443 0.866 10 5 FCBERO C[NH+](C)C1(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCC1 ZINC001721392830 1288333748 /nfs/dbraw/zinc/33/37/48/1288333748.db2.gz AFBRXYTVLJFKJO-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccccc1F ZINC001723514917 1288424935 /nfs/dbraw/zinc/42/49/35/1288424935.db2.gz NNOVCRFNKJBSDL-TZMCWYRMSA-N 1 0 364.377 0.346 10 5 FCBERO Cc1noc(CCC[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n1 ZINC001724917210 1288455148 /nfs/dbraw/zinc/45/51/48/1288455148.db2.gz UYSKFYAEWRYOSN-CHWSQXEVSA-N 1 0 367.406 0.231 10 5 FCBERO O=C(NCC1([NH2+]Cc2ccc(F)cn2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733467263 1288611496 /nfs/dbraw/zinc/61/14/96/1288611496.db2.gz QEKJWTKWWZLXGH-ZIAGYGMSSA-N 1 0 352.366 0.641 10 5 FCBERO Cc1nc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cs1 ZINC001700246925 1289589361 /nfs/dbraw/zinc/58/93/61/1289589361.db2.gz RMXPXTZHXZUPOB-CHWSQXEVSA-N 1 0 354.432 0.872 10 5 FCBERO O=C(NCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)C1CC1 ZINC001700618951 1289599167 /nfs/dbraw/zinc/59/91/67/1289599167.db2.gz HFPPAHJKQCJSKO-ZIAGYGMSSA-N 1 0 350.419 0.102 10 5 FCBERO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001615088033 1289751095 /nfs/dbraw/zinc/75/10/95/1289751095.db2.gz GECTZCCIPVRZCE-RYUDHWBXSA-N 1 0 370.431 0.845 10 5 FCBERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001618273183 1289895527 /nfs/dbraw/zinc/89/55/27/1289895527.db2.gz IBYRERNRUNJVIF-CMPLNLGQSA-N 1 0 370.431 0.797 10 5 FCBERO O=C(CC[N@H+]1CCN2CCOC[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001620618612 1290008300 /nfs/dbraw/zinc/00/83/00/1290008300.db2.gz JRPOERBHZVRRSI-QGZVFWFLSA-N 1 0 364.402 0.302 10 5 FCBERO O=C(NCC[NH+]1CCC(O)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001624294328 1290263814 /nfs/dbraw/zinc/26/38/14/1290263814.db2.gz WJULHLJLIVCYDT-UHFFFAOYSA-N 1 0 360.374 0.362 10 5 FCBERO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001627324590 1290456497 /nfs/dbraw/zinc/45/64/97/1290456497.db2.gz YFDAUYUMIFKTGY-UHFFFAOYSA-N 1 0 369.422 0.913 10 5 FCBERO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001629591125 1290613072 /nfs/dbraw/zinc/61/30/72/1290613072.db2.gz ORYRSRXTDCYRAC-IUODEOHRSA-N 1 0 363.418 0.075 10 5 FCBERO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001629787572 1290625163 /nfs/dbraw/zinc/62/51/63/1290625163.db2.gz SADNPCGTEKQPNV-QGZVFWFLSA-N 1 0 363.418 0.485 10 5 FCBERO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001650977220 1291189975 /nfs/dbraw/zinc/18/99/75/1291189975.db2.gz FZLNBSGYJSVWIM-ZDUSSCGKSA-N 1 0 366.422 0.153 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001655614312 1291478358 /nfs/dbraw/zinc/47/83/58/1291478358.db2.gz BWXZODJRVILUJR-AWEZNQCLSA-N 1 0 358.420 0.135 10 5 FCBERO Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)s1 ZINC001671934604 1292053156 /nfs/dbraw/zinc/05/31/56/1292053156.db2.gz ARBQIGYUIWSLAC-VXGBXAGGSA-N 1 0 354.432 0.872 10 5 FCBERO CC[N@@H+](CC(=O)NC(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001674339983 1292137740 /nfs/dbraw/zinc/13/77/40/1292137740.db2.gz ZUPFMSBRXNWFTF-HUUCEWRRSA-N 1 0 354.451 0.737 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC001118720177 847554029 /nfs/dbraw/zinc/55/40/29/847554029.db2.gz XHULBVJGKZRTIB-UHFFFAOYSA-N 1 0 351.407 0.949 10 5 FCBERO [NH3+]C1(CNC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC001118925876 847637563 /nfs/dbraw/zinc/63/75/63/847637563.db2.gz WEEVVYDEMYNBDT-UHFFFAOYSA-N 1 0 370.793 0.489 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3C[C@H]3CCOC3)CC[C@H]21 ZINC001123105738 848568946 /nfs/dbraw/zinc/56/89/46/848568946.db2.gz BIZBHCBNRSXWKW-MGPQQGTHSA-N 1 0 350.423 0.622 10 5 FCBERO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CC2)C1 ZINC001136782823 849241027 /nfs/dbraw/zinc/24/10/27/849241027.db2.gz HIODUTIENMIEKJ-JTQLQIEISA-N 1 0 356.814 0.823 10 5 FCBERO C[NH+](C)CCOCCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001137922430 849292029 /nfs/dbraw/zinc/29/20/29/849292029.db2.gz WARGNTXOWALBJH-UHFFFAOYSA-N 1 0 359.404 0.306 10 5 FCBERO CC(C)[C@@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001164321076 850406724 /nfs/dbraw/zinc/40/67/24/850406724.db2.gz GNMSZPJGDPDXHQ-GFCCVEGCSA-N 1 0 372.447 0.576 10 5 FCBERO C[C@]1(NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001166141127 850462925 /nfs/dbraw/zinc/46/29/25/850462925.db2.gz FTTCTPVWBYLONV-HNNXBMFYSA-N 1 0 368.415 0.456 10 5 FCBERO CCS(=O)(=O)N(C)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001191681642 852122528 /nfs/dbraw/zinc/12/25/28/852122528.db2.gz GXJBFQABHBMGTE-UHFFFAOYSA-N 1 0 359.452 0.846 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001261819088 858675696 /nfs/dbraw/zinc/67/56/96/858675696.db2.gz PQBRNZNDVWBPOG-ZYHUDNBSSA-N 1 0 350.375 0.476 10 5 FCBERO CC(C)(C)NC(=O)NCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001264390764 859351316 /nfs/dbraw/zinc/35/13/16/859351316.db2.gz GMGLPADFWYOYIC-YVECIDJPSA-N 1 0 355.439 0.234 10 5 FCBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)N1CCCCCCC1 ZINC001265842593 859467357 /nfs/dbraw/zinc/46/73/57/859467357.db2.gz BRGWNIZNWSGFAI-HUUCEWRRSA-N 1 0 354.451 0.882 10 5 FCBERO CC(C)(C)CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001280480658 863425778 /nfs/dbraw/zinc/42/57/78/863425778.db2.gz XKIJGLPQFSOIHF-CHWSQXEVSA-N 1 0 354.451 0.833 10 5 FCBERO C[NH+](C)C1(CC(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001285546568 864635559 /nfs/dbraw/zinc/63/55/59/864635559.db2.gz ZLBMDHYRLMJIKN-HLMASZERSA-N 1 0 352.435 0.705 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001302817224 866355937 /nfs/dbraw/zinc/35/59/37/866355937.db2.gz NHTKOMANXJDXPF-OAHLLOKOSA-N 1 0 371.415 0.137 10 5 FCBERO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC001303050269 866376264 /nfs/dbraw/zinc/37/62/64/866376264.db2.gz QNALZZQODUJZFG-ZDUSSCGKSA-N 1 0 351.407 0.449 10 5 FCBERO C[NH+](C)Cc1ccsc1C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001350015170 866489859 /nfs/dbraw/zinc/48/98/59/866489859.db2.gz CYSWRXHTCWNVHZ-VXGBXAGGSA-N 1 0 354.432 0.711 10 5 FCBERO Cc1ccc([C@@H](C)NC(=O)C(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC001351550972 866898512 /nfs/dbraw/zinc/89/85/12/866898512.db2.gz JJAPWQDTCQBMOT-GFCCVEGCSA-N 1 0 352.391 0.562 10 5 FCBERO O=C(NCCCN1CC[NH+](CC2CC(F)(F)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316958388 867512777 /nfs/dbraw/zinc/51/27/77/867512777.db2.gz UNYIGUOOBGEGCW-ZIAGYGMSSA-N 1 0 360.405 0.821 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001356469794 868009384 /nfs/dbraw/zinc/00/93/84/868009384.db2.gz JFNAYUFXNQDKLV-ZIAGYGMSSA-N 1 0 354.451 0.738 10 5 FCBERO Cc1csc(=O)n1CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327213087 870721329 /nfs/dbraw/zinc/72/13/29/870721329.db2.gz PCLOFSSHNUEVIU-CHWSQXEVSA-N 1 0 356.448 0.664 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001328458800 871444044 /nfs/dbraw/zinc/44/40/44/871444044.db2.gz JQTMKWQRHXFELU-ZIAGYGMSSA-N 1 0 352.366 0.493 10 5 FCBERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262111233 209525180 /nfs/dbraw/zinc/52/51/80/209525180.db2.gz FJEAFXRTXMURKU-LDWIPMOCSA-N 1 0 362.155 0.807 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193562029 209315114 /nfs/dbraw/zinc/31/51/14/209315114.db2.gz LUBSMWIPGAEVCU-CQSZACIVSA-N 1 0 363.418 0.938 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000185282457 209174918 /nfs/dbraw/zinc/17/49/18/209174918.db2.gz NIWXWOQQGLNIDL-UHFFFAOYSA-N 1 0 373.417 0.495 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000183648001 209150000 /nfs/dbraw/zinc/15/00/00/209150000.db2.gz IAILWTYHOCZRDJ-MRXNPFEDSA-N 1 0 362.430 0.926 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181697776 209120155 /nfs/dbraw/zinc/12/01/55/209120155.db2.gz ORKMNRHMPBYCSV-CQSZACIVSA-N 1 0 365.415 0.972 10 5 FCBERO CCn1nc2c(cc1=O)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000375893606 217331829 /nfs/dbraw/zinc/33/18/29/217331829.db2.gz UTOQODIXPMIVLI-UHFFFAOYSA-N 1 0 357.370 0.829 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000453817353 249373941 /nfs/dbraw/zinc/37/39/41/249373941.db2.gz KCPQPYLQIISDHR-CQSZACIVSA-N 1 0 364.402 0.805 10 5 FCBERO C[NH+](C)CCCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000498351295 250635995 /nfs/dbraw/zinc/63/59/95/250635995.db2.gz BHGASDOSDFTPMN-UHFFFAOYSA-N 1 0 350.375 0.778 10 5 FCBERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000176674782 209007683 /nfs/dbraw/zinc/00/76/83/209007683.db2.gz QTQFUDALMRGYCB-OAHLLOKOSA-N 1 0 364.450 0.810 10 5 FCBERO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[NH+](C)C)cn1 ZINC000301284764 488878643 /nfs/dbraw/zinc/87/86/43/488878643.db2.gz MGLSIWVQQJEBTI-CYBMUJFWSA-N 1 0 368.419 0.691 10 5 FCBERO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)N1 ZINC000279076001 488915410 /nfs/dbraw/zinc/91/54/10/488915410.db2.gz NGWHXGOIVJNVBH-INIZCTEOSA-N 1 0 362.342 0.635 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000191835591 488421441 /nfs/dbraw/zinc/42/14/41/488421441.db2.gz PAVIGCSACVFOBG-GFCCVEGCSA-N 1 0 353.423 0.976 10 5 FCBERO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1C[C@H](C)O ZINC000247022859 488480508 /nfs/dbraw/zinc/48/05/08/488480508.db2.gz WVRCKWZCTRZADK-JSGCOSHPSA-N 1 0 353.423 0.793 10 5 FCBERO COC[C@@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC[NH2+]1 ZINC000261614217 488527572 /nfs/dbraw/zinc/52/75/72/488527572.db2.gz FDBSVYXQSOUWEG-AWEZNQCLSA-N 1 0 359.404 0.650 10 5 FCBERO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000115275129 488543602 /nfs/dbraw/zinc/54/36/02/488543602.db2.gz ISOSCYMAEQVFJF-OLZOCXBDSA-N 1 0 354.411 0.440 10 5 FCBERO [NH3+]CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262472994 488571924 /nfs/dbraw/zinc/57/19/24/488571924.db2.gz KRGDIBRNBMQWGX-AWEZNQCLSA-N 1 0 370.431 0.603 10 5 FCBERO NS(=O)(=O)c1cccc(NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000272559056 488588713 /nfs/dbraw/zinc/58/87/13/488588713.db2.gz RZPBHFDFDTUTPG-UHFFFAOYSA-N 1 0 358.420 0.767 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000154355327 488741842 /nfs/dbraw/zinc/74/18/42/488741842.db2.gz CYYRWTUTIONZIO-HNNXBMFYSA-N 1 0 357.432 0.861 10 5 FCBERO CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2cc([N+](=O)[O-])cn2)ncn1 ZINC000173440137 488842837 /nfs/dbraw/zinc/84/28/37/488842837.db2.gz VINIPFQNDCTKRB-LLVKDONJSA-N 1 0 360.378 0.408 10 5 FCBERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000173956832 488846516 /nfs/dbraw/zinc/84/65/16/488846516.db2.gz RZZSMMHIMROOGR-UONOGXRCSA-N 1 0 350.419 0.945 10 5 FCBERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182017442 488863994 /nfs/dbraw/zinc/86/39/94/488863994.db2.gz CMQCBEYJIMTDNE-CYBMUJFWSA-N 1 0 368.438 0.526 10 5 FCBERO O=c1nc(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)[nH][nH]1 ZINC000281045739 489049253 /nfs/dbraw/zinc/04/92/53/489049253.db2.gz QHYRSKDEDBHEHY-LBPRGKRZSA-N 1 0 363.374 0.626 10 5 FCBERO COc1ccc(NC(=O)CCN2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492313 489571180 /nfs/dbraw/zinc/57/11/80/489571180.db2.gz PYFREOQLVQPEQW-ZDUSSCGKSA-N 1 0 366.418 0.930 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000416304655 489581523 /nfs/dbraw/zinc/58/15/23/489581523.db2.gz ZLYWGTIGJKFCGO-QWHCGFSZSA-N 1 0 364.402 0.238 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427154460 489596761 /nfs/dbraw/zinc/59/67/61/489596761.db2.gz HNVLYQIGISONAQ-ZDUSSCGKSA-N 1 0 352.395 0.290 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000420452770 489979951 /nfs/dbraw/zinc/97/99/51/489979951.db2.gz CMPGEEDFCUXXPO-NWDGAFQWSA-N 1 0 357.436 0.964 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444723132 490110676 /nfs/dbraw/zinc/11/06/76/490110676.db2.gz UQACBCPJNOGSFG-JLLWLGSASA-N 1 0 352.313 0.787 10 5 FCBERO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000421989831 490122753 /nfs/dbraw/zinc/12/27/53/490122753.db2.gz NUBQCSFWEUFYCS-CQSZACIVSA-N 1 0 370.431 0.426 10 5 FCBERO C[NH+](C)C1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000497719045 490203316 /nfs/dbraw/zinc/20/33/16/490203316.db2.gz FITLHHCURGYNMJ-UHFFFAOYSA-N 1 0 356.404 0.036 10 5 FCBERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000408027626 490215251 /nfs/dbraw/zinc/21/52/51/490215251.db2.gz MGDRZSHVGQGAFI-GJZGRUSLSA-N 1 0 355.416 0.830 10 5 FCBERO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC[N@@H+](CCO)CC1 ZINC000447818975 490277730 /nfs/dbraw/zinc/27/77/30/490277730.db2.gz ZRERMLPOOVJMDA-UHFFFAOYSA-N 1 0 364.446 0.931 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000571670815 491322185 /nfs/dbraw/zinc/32/21/85/491322185.db2.gz QULDKLBUNWJQHG-SNVBAGLBSA-N 1 0 364.328 0.377 10 5 FCBERO C[NH+](C)C[C@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000524318722 490531666 /nfs/dbraw/zinc/53/16/66/490531666.db2.gz DHIUVAVTXQSPRU-CYBMUJFWSA-N 1 0 362.386 0.873 10 5 FCBERO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000512267198 490670058 /nfs/dbraw/zinc/67/00/58/490670058.db2.gz WMGOZXODBZZXRM-CHWSQXEVSA-N 1 0 359.404 0.087 10 5 FCBERO C[NH+](C)CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000531887215 490979617 /nfs/dbraw/zinc/97/96/17/490979617.db2.gz MVUQCGRUCIMMKU-CYBMUJFWSA-N 1 0 370.431 0.571 10 5 FCBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)COC[C@@H]3CCCO3)CC2)n1 ZINC000574254945 491484021 /nfs/dbraw/zinc/48/40/21/491484021.db2.gz ZCRAXSNAENLLKR-GJZGRUSLSA-N 1 0 354.407 0.985 10 5 FCBERO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567846506 491534640 /nfs/dbraw/zinc/53/46/40/491534640.db2.gz FFAHHFILOKHKRN-UHFFFAOYSA-N 1 0 350.423 0.514 10 5 FCBERO CCc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000577372717 491616214 /nfs/dbraw/zinc/61/62/14/491616214.db2.gz MJQMKWQRALEPGF-UHFFFAOYSA-N 1 0 370.431 0.210 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000576464847 491617157 /nfs/dbraw/zinc/61/71/57/491617157.db2.gz SDIUKVUOBPBCSB-GWCFXTLKSA-N 1 0 369.399 0.754 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000589929526 491767683 /nfs/dbraw/zinc/76/76/83/491767683.db2.gz JSAMKCWXEYSSRX-GWCFXTLKSA-N 1 0 369.399 0.706 10 5 FCBERO Cc1c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444248 491776787 /nfs/dbraw/zinc/77/67/87/491776787.db2.gz NCXPAYUAGOIACZ-QMTHXVAHSA-N 1 0 368.415 0.327 10 5 FCBERO Cc1c(NC(=O)C(=O)NC2C[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000591295182 491801314 /nfs/dbraw/zinc/80/13/14/491801314.db2.gz JENVHPNJRORWTO-UHFFFAOYSA-N 1 0 357.164 0.692 10 5 FCBERO COC(=O)c1cc(C)nc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000591984797 491826769 /nfs/dbraw/zinc/82/67/69/491826769.db2.gz HTXKXPROIJEPOX-LLVKDONJSA-N 1 0 365.390 0.641 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592081894 491830994 /nfs/dbraw/zinc/83/09/94/491830994.db2.gz CVRKKKRURCFTDL-VIFPVBQESA-N 1 0 362.433 0.397 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592082238 491831104 /nfs/dbraw/zinc/83/11/04/491831104.db2.gz IHIPBAIXUXFKDD-LLVKDONJSA-N 1 0 356.404 0.335 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000584349332 491863633 /nfs/dbraw/zinc/86/36/33/491863633.db2.gz ONCQBVUSYRQQEE-GOSISDBHSA-N 1 0 374.397 0.922 10 5 FCBERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594919333 491872054 /nfs/dbraw/zinc/87/20/54/491872054.db2.gz XQAFRTZZHLTBLG-LEWSCRJBSA-N 1 0 371.415 0.660 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600713088 491878154 /nfs/dbraw/zinc/87/81/54/491878154.db2.gz DMRCUXMBYRYIDL-UHFFFAOYSA-N 1 0 363.418 0.746 10 5 FCBERO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000595256300 491908245 /nfs/dbraw/zinc/90/82/45/491908245.db2.gz LIFYYYSTTBMLCE-GJZGRUSLSA-N 1 0 374.401 0.847 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595384358 491926476 /nfs/dbraw/zinc/92/64/76/491926476.db2.gz JLYAJLGNUAKQCM-MRXNPFEDSA-N 1 0 369.443 0.956 10 5 FCBERO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595384891 491926810 /nfs/dbraw/zinc/92/68/10/491926810.db2.gz PMUIBAXPUQINRR-MRXNPFEDSA-N 1 0 369.443 0.956 10 5 FCBERO Cn1cc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2(CO)CCC2)cn1 ZINC000595495603 491937043 /nfs/dbraw/zinc/93/70/43/491937043.db2.gz VQJGFZYQZMVOBU-INIZCTEOSA-N 1 0 361.402 0.984 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595869047 491957928 /nfs/dbraw/zinc/95/79/28/491957928.db2.gz TUDPQMPNKZLFJH-IRXDYDNUSA-N 1 0 365.430 0.866 10 5 FCBERO NC(=O)c1ccc(SCC(=O)NCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC000595985346 491968501 /nfs/dbraw/zinc/96/85/01/491968501.db2.gz FVOZZEROEKFBEK-UHFFFAOYSA-N 1 0 350.400 0.654 10 5 FCBERO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000596064730 491974131 /nfs/dbraw/zinc/97/41/31/491974131.db2.gz IQNFKDAGKZBZHS-CYBMUJFWSA-N 1 0 358.416 0.891 10 5 FCBERO O=C1N(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCCN12 ZINC000596065886 491974377 /nfs/dbraw/zinc/97/43/77/491974377.db2.gz XXZHRSVXKKQUIH-JSGCOSHPSA-N 1 0 352.395 0.032 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596098318 491975532 /nfs/dbraw/zinc/97/55/32/491975532.db2.gz KUFOTEONLFSFPP-NSHDSACASA-N 1 0 352.395 0.028 10 5 FCBERO CN(CCC[NH+](C)C)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596425856 491985240 /nfs/dbraw/zinc/98/52/40/491985240.db2.gz XFRPYEMSKCWHCN-UHFFFAOYSA-N 1 0 359.452 0.538 10 5 FCBERO CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C)C1 ZINC000597946583 492074757 /nfs/dbraw/zinc/07/47/57/492074757.db2.gz PVUWQFZHXUEWKV-ZDUSSCGKSA-N 1 0 362.386 0.873 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000599110716 492136542 /nfs/dbraw/zinc/13/65/42/492136542.db2.gz LFQONYJPGMHYCX-GFCCVEGCSA-N 1 0 373.435 0.108 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000599350086 492163424 /nfs/dbraw/zinc/16/34/24/492163424.db2.gz SKIGKCTZJMDGHA-NSHDSACASA-N 1 0 361.424 0.060 10 5 FCBERO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599568645 492189468 /nfs/dbraw/zinc/18/94/68/492189468.db2.gz HJKUEELKUSISEH-BBRMVZONSA-N 1 0 354.359 0.598 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599949540 492220606 /nfs/dbraw/zinc/22/06/06/492220606.db2.gz GLHUJRBZEVQSTK-UHFFFAOYSA-N 1 0 352.391 0.214 10 5 FCBERO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[NH2+]1 ZINC000599962751 492223354 /nfs/dbraw/zinc/22/33/54/492223354.db2.gz UOINODXUGPOXHV-VXGBXAGGSA-N 1 0 364.406 0.212 10 5 FCBERO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[NH2+]1 ZINC000599962748 492223423 /nfs/dbraw/zinc/22/34/23/492223423.db2.gz UOINODXUGPOXHV-NEPJUHHUSA-N 1 0 364.406 0.212 10 5 FCBERO O=C([C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369551 492243691 /nfs/dbraw/zinc/24/36/91/492243691.db2.gz SXQYLHQLIMQXSV-ZFWWWQNUSA-N 1 0 351.407 0.487 10 5 FCBERO COC(=O)c1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc([N+](=O)[O-])c1 ZINC000619873326 492280580 /nfs/dbraw/zinc/28/05/80/492280580.db2.gz DJBCOHNUCMGPEN-HNNXBMFYSA-N 1 0 362.386 0.501 10 5 FCBERO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000411567261 533935295 /nfs/dbraw/zinc/93/52/95/533935295.db2.gz ILITUEWIZZUYKU-CQSZACIVSA-N 1 0 364.402 0.805 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000591328850 546934144 /nfs/dbraw/zinc/93/41/44/546934144.db2.gz XNJSCCZCAVEZLT-QMTHXVAHSA-N 1 0 369.399 0.706 10 5 FCBERO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000591756733 546939722 /nfs/dbraw/zinc/93/97/22/546939722.db2.gz VSFVSJMQKWOCJX-LBPRGKRZSA-N 1 0 350.331 0.550 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)nc1 ZINC000593552875 546973674 /nfs/dbraw/zinc/97/36/74/546973674.db2.gz JUKGVZFPEDKNJU-ZDUSSCGKSA-N 1 0 358.420 0.505 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)nc1 ZINC000593552874 546973862 /nfs/dbraw/zinc/97/38/62/546973862.db2.gz JUKGVZFPEDKNJU-CYBMUJFWSA-N 1 0 358.420 0.505 10 5 FCBERO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CCO2 ZINC000593614196 546984371 /nfs/dbraw/zinc/98/43/71/546984371.db2.gz UJTXCJMNQFDYCB-UHFFFAOYSA-N 1 0 356.404 0.475 10 5 FCBERO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594754138 547004874 /nfs/dbraw/zinc/00/48/74/547004874.db2.gz PDSSZCRGRGPNBZ-CYBMUJFWSA-N 1 0 369.447 0.390 10 5 FCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000594759309 547005739 /nfs/dbraw/zinc/00/57/39/547005739.db2.gz NTOLASDWMIGUAF-GFCCVEGCSA-N 1 0 358.420 0.505 10 5 FCBERO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594756995 547005845 /nfs/dbraw/zinc/00/58/45/547005845.db2.gz GCWMYXQHGWJMMM-UHFFFAOYSA-N 1 0 358.420 0.721 10 5 FCBERO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594774514 547008741 /nfs/dbraw/zinc/00/87/41/547008741.db2.gz FVANTBMVDVCILP-MBNYWOFBSA-N 1 0 370.431 0.862 10 5 FCBERO CCc1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917065926 667051969 /nfs/dbraw/zinc/05/19/69/667051969.db2.gz CEDNZVUNSPHQIP-AWEZNQCLSA-N 1 0 368.459 0.825 10 5 FCBERO C[NH+](C)CCCOC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000791778044 668893923 /nfs/dbraw/zinc/89/39/23/668893923.db2.gz OFZZLWWASZRBGC-UHFFFAOYSA-N 1 0 359.404 0.758 10 5 FCBERO CN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127583 669081856 /nfs/dbraw/zinc/08/18/56/669081856.db2.gz FIIGOOQTNGDKTK-HUUCEWRRSA-N 1 0 357.432 0.984 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000823926529 669366507 /nfs/dbraw/zinc/36/65/07/669366507.db2.gz APTOBBHGXQTEQB-UHFFFAOYSA-N 1 0 350.379 0.415 10 5 FCBERO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844748485 670940152 /nfs/dbraw/zinc/94/01/52/670940152.db2.gz TTZKERNAJJPKGL-WYNNWDDRSA-N 1 0 351.384 0.695 10 5 FCBERO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000849429894 671342464 /nfs/dbraw/zinc/34/24/64/671342464.db2.gz WRNDDNLWGWGTRL-UHFFFAOYSA-N 1 0 350.466 0.818 10 5 FCBERO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000857004747 671712623 /nfs/dbraw/zinc/71/26/23/671712623.db2.gz GMRWJVIXNRUGHW-NSHDSACASA-N 1 0 357.317 0.830 10 5 FCBERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cn3nccc3[N+](=O)[O-])CC2)C1 ZINC000117325761 671877635 /nfs/dbraw/zinc/87/76/35/671877635.db2.gz AQWNBGKHWHZJIZ-OAHLLOKOSA-N 1 0 352.439 0.476 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865611768 672246133 /nfs/dbraw/zinc/24/61/33/672246133.db2.gz ILQOUGJFCMPHRD-UHFFFAOYSA-N 1 0 354.382 0.827 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869082024 672421046 /nfs/dbraw/zinc/42/10/46/672421046.db2.gz SQRMHIQSYREEKC-LLVKDONJSA-N 1 0 352.366 0.855 10 5 FCBERO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCc1cc(F)cc(F)c1 ZINC001266273189 1167812318 /nfs/dbraw/zinc/81/23/18/1167812318.db2.gz MGPJJUNXDSJIKN-ZIAGYGMSSA-N 1 0 370.356 0.294 10 5 FCBERO CC1CC[NH+](CC(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001746228709 1192353475 /nfs/dbraw/zinc/35/34/75/1192353475.db2.gz BZZJJDZGCHAYGK-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000760414617 1192829978 /nfs/dbraw/zinc/82/99/78/1192829978.db2.gz MASHAIBDARFXAC-UHFFFAOYSA-N 1 0 360.418 0.998 10 5 FCBERO CN(CC[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371794 1180051764 /nfs/dbraw/zinc/05/17/64/1180051764.db2.gz VJIKNFANVUSLIG-HUUCEWRRSA-N 1 0 368.478 0.984 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)CC[C@H]21 ZINC001648928043 1183673072 /nfs/dbraw/zinc/67/30/72/1183673072.db2.gz IQHATXRGAHWFAV-BXUZGUMPSA-N 1 0 357.374 0.737 10 5 FCBERO O=C(NCC1([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001670782113 1186293804 /nfs/dbraw/zinc/29/38/04/1186293804.db2.gz VZQCLSJXXYCAJB-NXEZZACHSA-N 1 0 359.308 0.899 10 5 FCBERO CC(C)NC(=O)NCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001482016179 1187570557 /nfs/dbraw/zinc/57/05/57/1187570557.db2.gz VIQYMURWSAYWCC-AAVRWANBSA-N 1 0 355.439 0.376 10 5 FCBERO COc1ccc(OCCN2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000593053115 1193769457 /nfs/dbraw/zinc/76/94/57/1193769457.db2.gz XFPXRNHKMYGZPX-UHFFFAOYSA-N 1 0 366.418 0.688 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000906730642 1195651398 /nfs/dbraw/zinc/65/13/98/1195651398.db2.gz KOOUQNADHFZSED-AWEZNQCLSA-N 1 0 362.434 0.496 10 5 FCBERO O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@H]1C[NH2+]CCO1 ZINC000594699116 1196736865 /nfs/dbraw/zinc/73/68/65/1196736865.db2.gz QOVLNXVVKFCKNO-LLVKDONJSA-N 1 0 356.342 0.479 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593770004 1196819458 /nfs/dbraw/zinc/81/94/58/1196819458.db2.gz IIEPQDIPYIJPQC-TZMCWYRMSA-N 1 0 364.402 0.972 10 5 FCBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593918057 1196841032 /nfs/dbraw/zinc/84/10/32/1196841032.db2.gz ALXNRYUFYLVJTI-SNPRPXQTSA-N 1 0 364.402 0.644 10 5 FCBERO CCOc1ccc(NC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594026621 1196847516 /nfs/dbraw/zinc/84/75/16/1196847516.db2.gz FTEFRGZMPLOCEK-QWHCGFSZSA-N 1 0 364.402 0.683 10 5 FCBERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000747774910 1202977597 /nfs/dbraw/zinc/97/75/97/1202977597.db2.gz FHDJGSMKTOHEHN-GFCCVEGCSA-N 1 0 369.374 0.818 10 5 FCBERO C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@]2(C)C1 ZINC001134332178 1203020214 /nfs/dbraw/zinc/02/02/14/1203020214.db2.gz FMECVAFKKKECDG-DIFFPNOSSA-N 1 0 360.370 0.913 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000844041370 1203331467 /nfs/dbraw/zinc/33/14/67/1203331467.db2.gz QXERKJSSWLBNQP-LBPRGKRZSA-N 1 0 363.418 0.853 10 5 FCBERO NC(=O)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c([N+](=O)[O-])c1 ZINC001176727747 1206319220 /nfs/dbraw/zinc/31/92/20/1206319220.db2.gz KSCDILRGXUEREX-ZDUSSCGKSA-N 1 0 362.386 0.157 10 5 FCBERO COc1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1[N+](=O)[O-] ZINC000866709210 1210003297 /nfs/dbraw/zinc/00/32/97/1210003297.db2.gz IYTUXABBZLXXCB-XPKDYRNWSA-N 1 0 362.386 0.970 10 5 FCBERO COCCN(CC1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000869765643 1210093942 /nfs/dbraw/zinc/09/39/42/1210093942.db2.gz PQJSTBXMPVUIJD-UHFFFAOYSA-N 1 0 366.418 0.573 10 5 FCBERO CC1(C)CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1[NH3+] ZINC000903552557 1218447575 /nfs/dbraw/zinc/44/75/75/1218447575.db2.gz PFCOCCXQIFABOV-MRXNPFEDSA-N 1 0 361.446 0.913 10 5 FCBERO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306772 1245365002 /nfs/dbraw/zinc/36/50/02/1245365002.db2.gz ZJAHNMYDJAFWBN-UONOGXRCSA-N 1 0 364.358 0.713 10 5 FCBERO Cc1nn(C)c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000920660229 1245629689 /nfs/dbraw/zinc/62/96/89/1245629689.db2.gz VMVHFNJGNMEEFK-UHFFFAOYSA-N 1 0 365.390 0.537 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001330579535 1266064029 /nfs/dbraw/zinc/06/40/29/1266064029.db2.gz VCXOWHPGNIQVMS-HOTGVXAUSA-N 1 0 360.414 0.949 10 5 FCBERO Cn1ncc(C[NH2+]CCc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC001266083999 1260421348 /nfs/dbraw/zinc/42/13/48/1260421348.db2.gz WVMAAFRXJXDEPQ-HZPDHXFCSA-N 1 0 358.402 0.429 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332334886 1266380136 /nfs/dbraw/zinc/38/01/36/1266380136.db2.gz OKFPSFJEYDZLJG-MRXNPFEDSA-N 1 0 360.414 0.731 10 5 FCBERO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001472877046 1261486108 /nfs/dbraw/zinc/48/61/08/1261486108.db2.gz ZVZNYWBOZMTRAG-UHFFFAOYSA-N 1 0 372.447 0.715 10 5 FCBERO COC1(OC)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC001473751676 1261494365 /nfs/dbraw/zinc/49/43/65/1261494365.db2.gz KVFZETNDALSBBG-IUODEOHRSA-N 1 0 356.375 0.390 10 5 FCBERO C[NH+]1CCC(C(=O)NCCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001285159894 1261818126 /nfs/dbraw/zinc/81/81/26/1261818126.db2.gz PQJJQPHZVTYCDQ-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO CC(C)N(C)C(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001485663129 1263511718 /nfs/dbraw/zinc/51/17/18/1263511718.db2.gz QGARBPKMHNYEKB-ZIAGYGMSSA-N 1 0 352.435 0.443 10 5 FCBERO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001487424521 1263603049 /nfs/dbraw/zinc/60/30/49/1263603049.db2.gz KPARVLGPXZMRQD-KLHDSHLOSA-N 1 0 366.462 0.929 10 5 FCBERO Cc1nnc(C[NH2+]CCc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)o1 ZINC001491900795 1263626913 /nfs/dbraw/zinc/62/69/13/1263626913.db2.gz WQAVIOZKZSNZAT-HUUCEWRRSA-N 1 0 359.386 0.992 10 5 FCBERO CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c[nH+]ccc1N(C)C ZINC001492945993 1263685267 /nfs/dbraw/zinc/68/52/67/1263685267.db2.gz PQINDRZUQZUKQI-IUODEOHRSA-N 1 0 363.418 0.781 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)Nc1cnccn1 ZINC001495158398 1263799949 /nfs/dbraw/zinc/79/99/49/1263799949.db2.gz MALHXWRVUGXICC-VXGBXAGGSA-N 1 0 362.390 0.099 10 5 FCBERO CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)CCC[NH+](C)C ZINC001497950833 1263960283 /nfs/dbraw/zinc/96/02/83/1263960283.db2.gz CYYQANWVAMNGKC-HUUCEWRRSA-N 1 0 354.451 0.690 10 5 FCBERO Cc1noc(C)c1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001501257835 1264114023 /nfs/dbraw/zinc/11/40/23/1264114023.db2.gz GAPKRZCZVSYBFA-GDBMZVCRSA-N 1 0 365.434 0.627 10 5 FCBERO O=C(NCC1([NH2+]CCc2ccc3c(c2)OCCO3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323441119 1264430197 /nfs/dbraw/zinc/43/01/97/1264430197.db2.gz FPLNMQVDYALYSP-ZIAGYGMSSA-N 1 0 361.398 0.904 10 5 FCBERO O=C(C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)NCC1CC1 ZINC001325618718 1264948430 /nfs/dbraw/zinc/94/84/30/1264948430.db2.gz ZBLPAAKXTPKRES-YIDVYQOGSA-N 1 0 364.446 0.537 10 5 FCBERO O=C(CCCC[NH+]1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001526180335 1266789134 /nfs/dbraw/zinc/78/91/34/1266789134.db2.gz UJXDCKGDISXJPD-GAGVYUBLSA-N 1 0 364.446 0.491 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCCN2CCSC[C@H]12 ZINC001334424734 1266993758 /nfs/dbraw/zinc/99/37/58/1266993758.db2.gz SSBGIXUTMKUBOS-WCQYABFASA-N 1 0 352.416 0.453 10 5 FCBERO C[C@H](C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC001539496881 1267430565 /nfs/dbraw/zinc/43/05/65/1267430565.db2.gz IWOQNPQGMFEQGE-SNVBAGLBSA-N 1 0 358.420 0.477 10 5 FCBERO C[NH+](C)CC1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001542954861 1267514694 /nfs/dbraw/zinc/51/46/94/1267514694.db2.gz KXVQOIKWDIKDET-UHFFFAOYSA-N 1 0 370.431 0.656 10 5 FCBERO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001543089430 1267523282 /nfs/dbraw/zinc/52/32/82/1267523282.db2.gz OGQBETYKCPGSMD-UHFFFAOYSA-N 1 0 372.447 0.902 10 5 FCBERO C[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001543157401 1267527867 /nfs/dbraw/zinc/52/78/67/1267527867.db2.gz HTNIKPFUSRAUJS-LLVKDONJSA-N 1 0 352.416 0.996 10 5 FCBERO C[NH+]1CCC(O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC001544659691 1267589534 /nfs/dbraw/zinc/58/95/34/1267589534.db2.gz DZLGDZMMWOPTII-UHFFFAOYSA-N 1 0 365.386 0.943 10 5 FCBERO COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)CC[NH+](C)C)CC1 ZINC001340017288 1268407525 /nfs/dbraw/zinc/40/75/25/1268407525.db2.gz IGLCIKOMNFHMLJ-ZIAGYGMSSA-N 1 0 370.450 0.117 10 5 FCBERO CC(C)(C(=O)NCC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC001340529825 1268577541 /nfs/dbraw/zinc/57/75/41/1268577541.db2.gz YRMRWXNPQUGLMZ-ZIAGYGMSSA-N 1 0 366.462 0.929 10 5 FCBERO CCc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC001558051711 1269014924 /nfs/dbraw/zinc/01/49/24/1269014924.db2.gz YEEQEOQDWIPAMM-OLZOCXBDSA-N 1 0 351.407 0.988 10 5 FCBERO Cc1cc(C(=O)NCC(=O)N2CC([NH2+][C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001558550027 1269108845 /nfs/dbraw/zinc/10/88/45/1269108845.db2.gz WVOYHIHPERQXLC-ZDUSSCGKSA-N 1 0 362.386 0.222 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001559828002 1269175431 /nfs/dbraw/zinc/17/54/31/1269175431.db2.gz BYJBPTKFLQBYRB-CYBMUJFWSA-N 1 0 359.452 0.703 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001559828003 1269175992 /nfs/dbraw/zinc/17/59/92/1269175992.db2.gz BYJBPTKFLQBYRB-ZDUSSCGKSA-N 1 0 359.452 0.703 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC001560203685 1269196325 /nfs/dbraw/zinc/19/63/25/1269196325.db2.gz IXYLKIAVGPANOQ-HOCLYGCPSA-N 1 0 354.407 0.670 10 5 FCBERO C[C@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001566166382 1269618593 /nfs/dbraw/zinc/61/85/93/1269618593.db2.gz FKEODUSELJXVDC-GXSJLCMTSA-N 1 0 356.404 0.455 10 5 FCBERO CC(C)(C)NC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001569699992 1269798297 /nfs/dbraw/zinc/79/82/97/1269798297.db2.gz KPIBKCCVXKKZPI-CHWSQXEVSA-N 1 0 354.451 0.785 10 5 FCBERO COc1cccc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001570414106 1269881216 /nfs/dbraw/zinc/88/12/16/1269881216.db2.gz LCGVVOOWWQSCQP-HZPDHXFCSA-N 1 0 363.414 0.804 10 5 FCBERO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001570618948 1269904713 /nfs/dbraw/zinc/90/47/13/1269904713.db2.gz LCUPMQOOSJZSHB-BJHJDKERSA-N 1 0 357.374 0.927 10 5 FCBERO CN(CCC[NH2+]Cc1nnc2n1CCCCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716540866 1287383313 /nfs/dbraw/zinc/38/33/13/1287383313.db2.gz NHMDZCXEAOPLOE-CHWSQXEVSA-N 1 0 350.423 0.608 10 5 FCBERO CC(C)NC(=O)NCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001716793585 1287389670 /nfs/dbraw/zinc/38/96/70/1287389670.db2.gz DZLUUJWLRPUICI-CHWSQXEVSA-N 1 0 355.439 0.330 10 5 FCBERO CC1([NH2+]CC(=O)NC2CCCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717297324 1287416762 /nfs/dbraw/zinc/41/67/62/1287416762.db2.gz PHARMYSLZINZRF-ZIAGYGMSSA-N 1 0 352.435 0.681 10 5 FCBERO CN(CC(C)(C)C[NH2+]Cc1nnnn1C(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717452994 1287422523 /nfs/dbraw/zinc/42/25/23/1287422523.db2.gz YNMRNANICXPOAV-VXGBXAGGSA-N 1 0 367.454 0.668 10 5 FCBERO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001603646817 1287456897 /nfs/dbraw/zinc/45/68/97/1287456897.db2.gz OICNFRULOJUPIV-ZFWWWQNUSA-N 1 0 364.402 0.332 10 5 FCBERO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@]12CC[N@H+](C1)CCC2 ZINC001632723893 1282200811 /nfs/dbraw/zinc/20/08/11/1282200811.db2.gz FNULMMQWUOVOTI-KRWDZBQOSA-N 1 0 361.402 0.749 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001632763385 1282204669 /nfs/dbraw/zinc/20/46/69/1282204669.db2.gz WFDAZZCURYWMDI-MRXNPFEDSA-N 1 0 366.374 0.961 10 5 FCBERO C[NH+]1CCC(CCO)(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC001633284374 1282239595 /nfs/dbraw/zinc/23/95/95/1282239595.db2.gz GEHVFWMLIHCNKH-UHFFFAOYSA-N 1 0 351.359 0.900 10 5 FCBERO C[N@H+](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[C@H]1O ZINC001634313510 1282319697 /nfs/dbraw/zinc/31/96/97/1282319697.db2.gz MAJNMORCOBOCBI-NWANDNLSSA-N 1 0 363.418 0.848 10 5 FCBERO C[C@@H](CN1CCOCC1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001587297512 1282346652 /nfs/dbraw/zinc/34/66/52/1282346652.db2.gz XFGYCXLEKJKWEP-GUYCJALGSA-N 1 0 351.403 0.887 10 5 FCBERO Cn1ccnc1C1(O)CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC001588305886 1282415377 /nfs/dbraw/zinc/41/53/77/1282415377.db2.gz IBBRXSCGCRAKNY-UHFFFAOYSA-N 1 0 368.353 0.858 10 5 FCBERO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCCC1 ZINC001639347287 1282773455 /nfs/dbraw/zinc/77/34/55/1282773455.db2.gz GCTWJRFNBSPJOF-UHFFFAOYSA-N 1 0 370.431 0.427 10 5 FCBERO CC[N@H+](C)[C@H]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC001640948418 1282916364 /nfs/dbraw/zinc/91/63/64/1282916364.db2.gz MURQSKGKIJDBSL-NSHDSACASA-N 1 0 360.370 0.743 10 5 FCBERO COCC[N@H+](C)CCN1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC1=O ZINC001642823677 1283042840 /nfs/dbraw/zinc/04/28/40/1283042840.db2.gz OFBGLBRGUORNHG-LLVKDONJSA-N 1 0 371.825 0.656 10 5 FCBERO CCN(CCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001704315132 1286224455 /nfs/dbraw/zinc/22/44/55/1286224455.db2.gz ZYLYXLBBOFHFCH-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO C[NH+](C)CC1(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001705037043 1286338886 /nfs/dbraw/zinc/33/88/86/1286338886.db2.gz ZILINCDRYDOZAX-WLBISTCBSA-N 1 0 366.462 0.952 10 5 FCBERO C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCCC1 ZINC001720826431 1288267442 /nfs/dbraw/zinc/26/74/42/1288267442.db2.gz XBFBBDFDGVAXLV-LXTVHRRPSA-N 1 0 366.462 0.927 10 5 FCBERO CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001723641329 1288426341 /nfs/dbraw/zinc/42/63/41/1288426341.db2.gz XYPQSZKKGQPKMR-HUUCEWRRSA-N 1 0 354.451 0.929 10 5 FCBERO Cc1ncoc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724630162 1288446795 /nfs/dbraw/zinc/44/67/95/1288446795.db2.gz MBAXOUXJUZUENB-ZIAGYGMSSA-N 1 0 351.407 0.318 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccc(F)cc1F ZINC001731476132 1288557335 /nfs/dbraw/zinc/55/73/35/1288557335.db2.gz JXIXYIYNVKDLID-FBKDDSFISA-N 1 0 368.340 0.805 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC001731476119 1288557603 /nfs/dbraw/zinc/55/76/03/1288557603.db2.gz JLKOATJAKKKKNR-LXTVHRRPSA-N 1 0 352.435 0.585 10 5 FCBERO CN(C(=O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001732548697 1288586019 /nfs/dbraw/zinc/58/60/19/1288586019.db2.gz ZXHXULPKHLGXBR-HZPDHXFCSA-N 1 0 366.462 0.833 10 5 FCBERO CCN(CCCNC(=O)CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737259237 1289521628 /nfs/dbraw/zinc/52/16/28/1289521628.db2.gz GUUJCXAOVBSMBY-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)C1=CC[N@H+](C)CC1 ZINC001611445615 1289649513 /nfs/dbraw/zinc/64/95/13/1289649513.db2.gz OEVGZAYXUCICAI-NSHDSACASA-N 1 0 357.374 0.951 10 5 FCBERO CC[C@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001611481995 1289651592 /nfs/dbraw/zinc/65/15/92/1289651592.db2.gz NSJPAOGCFZUXAV-LBPRGKRZSA-N 1 0 372.447 0.720 10 5 FCBERO CN1CC[C@@H]([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)C1=O ZINC001612509361 1289679968 /nfs/dbraw/zinc/67/99/68/1289679968.db2.gz DXOCMAQZMPHQCO-CYBMUJFWSA-N 1 0 362.390 0.196 10 5 FCBERO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001615088034 1289750783 /nfs/dbraw/zinc/75/07/83/1289750783.db2.gz GECTZCCIPVRZCE-VXGBXAGGSA-N 1 0 370.431 0.845 10 5 FCBERO O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC001616752850 1289791388 /nfs/dbraw/zinc/79/13/88/1289791388.db2.gz MCVKPSMONCQFDZ-CQSZACIVSA-N 1 0 372.385 0.722 10 5 FCBERO O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CCN([C@H]2CCOC2)CC1 ZINC001616752849 1289791717 /nfs/dbraw/zinc/79/17/17/1289791717.db2.gz MCVKPSMONCQFDZ-AWEZNQCLSA-N 1 0 372.385 0.722 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)(C(N)=O)CC1 ZINC001617881750 1289870796 /nfs/dbraw/zinc/87/07/96/1289870796.db2.gz KPSIKOXVEHNPPE-UHFFFAOYSA-N 1 0 350.375 0.544 10 5 FCBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC001624276682 1290262437 /nfs/dbraw/zinc/26/24/37/1290262437.db2.gz IFCPLWNEKFBVER-GHMZBOCLSA-N 1 0 370.431 0.797 10 5 FCBERO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001624778435 1290296199 /nfs/dbraw/zinc/29/61/99/1290296199.db2.gz GQDCCHBLIYOPPR-UHFFFAOYSA-N 1 0 357.374 0.927 10 5 FCBERO C[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001627405840 1290461458 /nfs/dbraw/zinc/46/14/58/1290461458.db2.gz ICJJLXSCSTZHKI-LLVKDONJSA-N 1 0 358.420 0.282 10 5 FCBERO CCCc1n[nH]c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001627548309 1290469595 /nfs/dbraw/zinc/46/95/95/1290469595.db2.gz DWBVSFAERVYGSN-UHFFFAOYSA-N 1 0 366.422 0.602 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001628299630 1290524132 /nfs/dbraw/zinc/52/41/32/1290524132.db2.gz ILHYZMVWXLXRSY-ZDUSSCGKSA-N 1 0 364.402 0.374 10 5 FCBERO CCCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628694500 1290550325 /nfs/dbraw/zinc/55/03/25/1290550325.db2.gz SCDAFUBZPTXWBU-UHFFFAOYSA-N 1 0 372.447 0.673 10 5 FCBERO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C[N@@H+]1C1CC1 ZINC001630423183 1290668354 /nfs/dbraw/zinc/66/83/54/1290668354.db2.gz LFFHDPVWGXJQLB-MNOVXSKESA-N 1 0 357.374 0.926 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001630599396 1290679846 /nfs/dbraw/zinc/67/98/46/1290679846.db2.gz OQSAEIGIXYTEKZ-UHFFFAOYSA-N 1 0 353.379 0.099 10 5 FCBERO NC(=O)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC001643431015 1290888610 /nfs/dbraw/zinc/88/86/10/1290888610.db2.gz PZLPZPIRLAXAEC-HRCADAONSA-N 1 0 359.386 0.353 10 5 FCBERO Cc1cc(C(=O)NCC(=O)N(C)CC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001647837278 1291077902 /nfs/dbraw/zinc/07/79/02/1291077902.db2.gz STIKMDYISBEBCX-UHFFFAOYSA-N 1 0 352.391 0.016 10 5 FCBERO COC(=O)c1cnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001651494835 1291225199 /nfs/dbraw/zinc/22/51/99/1291225199.db2.gz CBIAZFPSLSRSNV-QWHCGFSZSA-N 1 0 350.375 0.812 10 5 FCBERO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652687496 1291290298 /nfs/dbraw/zinc/29/02/98/1291290298.db2.gz YKHUBZPCGNFBMN-CYBMUJFWSA-N 1 0 362.386 0.304 10 5 FCBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761311 1291297698 /nfs/dbraw/zinc/29/76/98/1291297698.db2.gz WEDDHYCEOSQTGQ-GXTWGEPZSA-N 1 0 352.391 0.378 10 5 FCBERO COC(=O)[C@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001655430937 1291467930 /nfs/dbraw/zinc/46/79/30/1291467930.db2.gz JDEVXPOASCTFBG-HNNXBMFYSA-N 1 0 355.322 0.672 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCc1ccco1 ZINC001656132221 1291497972 /nfs/dbraw/zinc/49/79/72/1291497972.db2.gz HWMXETSTYADHSL-ZMJPVWNMSA-N 1 0 350.375 0.045 10 5 FCBERO CN(C(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001664874523 1291820621 /nfs/dbraw/zinc/82/06/21/1291820621.db2.gz YHCQXBUGRVDSCU-HUUCEWRRSA-N 1 0 352.435 0.443 10 5 FCBERO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC001135522682 849198499 /nfs/dbraw/zinc/19/84/99/849198499.db2.gz ANIKDJYOWMMBKR-GFCCVEGCSA-N 1 0 370.431 0.378 10 5 FCBERO COC(=O)C[C@H](C)N1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001137249674 849260866 /nfs/dbraw/zinc/26/08/66/849260866.db2.gz LIYVRLDAMMVRRE-JTQLQIEISA-N 1 0 351.363 0.281 10 5 FCBERO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001137732419 849280849 /nfs/dbraw/zinc/28/08/49/849280849.db2.gz FPAATXREEAHMHX-MRXNPFEDSA-N 1 0 353.375 0.799 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N2CC([NH2+][C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001164234044 850398202 /nfs/dbraw/zinc/39/82/02/850398202.db2.gz HHEYTVYWXOBGPX-NSHDSACASA-N 1 0 370.431 0.412 10 5 FCBERO CC[C@@H]1[C@@H](C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC001177244865 850832240 /nfs/dbraw/zinc/83/22/40/850832240.db2.gz UMMTZHXOKWIBJW-ZJIFWQFVSA-N 1 0 351.403 0.836 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC001186855325 851477824 /nfs/dbraw/zinc/47/78/24/851477824.db2.gz UOTDZYMHDNLQTK-AWEZNQCLSA-N 1 0 358.420 0.135 10 5 FCBERO CCOC(=O)C1([S@](C)=O)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001194426093 852596428 /nfs/dbraw/zinc/59/64/28/852596428.db2.gz IXFRZXUUDWLEBI-DEOSSOPVSA-N 1 0 358.420 0.568 10 5 FCBERO Cc1ncsc1CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001278707061 862421077 /nfs/dbraw/zinc/42/10/77/862421077.db2.gz ASXDYLJAYMUVHH-CHWSQXEVSA-N 1 0 368.459 0.914 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC001197431003 853113550 /nfs/dbraw/zinc/11/35/50/853113550.db2.gz AELVBKVKBZWQGU-GDBMZVCRSA-N 1 0 353.423 0.385 10 5 FCBERO CN(Cc1cccs1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269411665 859548774 /nfs/dbraw/zinc/54/87/74/859548774.db2.gz PECRSJAYPJMENR-CHWSQXEVSA-N 1 0 366.443 0.610 10 5 FCBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001284612046 864581807 /nfs/dbraw/zinc/58/18/07/864581807.db2.gz RAGCMCMDLCZERI-ZIAGYGMSSA-N 1 0 354.451 0.881 10 5 FCBERO O=C(NC/C=C\CNC(=O)C12CCC[NH+](CCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001285546715 864635598 /nfs/dbraw/zinc/63/55/98/864635598.db2.gz CFJFEGLZVQPOBZ-KOMGFDSOSA-N 1 0 350.419 0.316 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001302569642 866339809 /nfs/dbraw/zinc/33/98/09/866339809.db2.gz JXBMRAKRUPHMLU-VXGBXAGGSA-N 1 0 368.415 0.408 10 5 FCBERO Cc1csc(NC(=O)C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001316629690 867365741 /nfs/dbraw/zinc/36/57/41/867365741.db2.gz CIRLAHCKOASYLQ-DDHJBXDOSA-N 1 0 367.431 0.540 10 5 FCBERO Cc1ccsc1CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317586101 867542237 /nfs/dbraw/zinc/54/22/37/867542237.db2.gz XWHGTXDFZCQSDS-VXGBXAGGSA-N 1 0 354.432 0.386 10 5 FCBERO CCOCCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001328480903 871453934 /nfs/dbraw/zinc/45/39/34/871453934.db2.gz USDSYOBAJQVTGQ-HUUCEWRRSA-N 1 0 355.435 0.772 10 5 FCBERO C[NH2+]CCOCCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001328980428 871756108 /nfs/dbraw/zinc/75/61/08/871756108.db2.gz IFUUQSILFYIENW-UHFFFAOYSA-N 1 0 358.782 0.217 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001346503322 871870078 /nfs/dbraw/zinc/87/00/78/871870078.db2.gz DWYZRMMLKLQWMY-KLPPZKSPSA-N 1 0 371.415 1.000 10 5 FCBERO CC[NH+]1CCN(C2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)CC1 ZINC001347915974 872530117 /nfs/dbraw/zinc/53/01/17/872530117.db2.gz RLKBQEIBSIPDJA-UHFFFAOYSA-N 1 0 351.382 0.778 10 5 FCBERO C[NH+](C)C[C@@H]1CCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000291499228 214038630 /nfs/dbraw/zinc/03/86/30/214038630.db2.gz MLEFBMPYZCUBMR-NSHDSACASA-N 1 0 360.370 0.743 10 5 FCBERO CC1(C)CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000261760730 209478613 /nfs/dbraw/zinc/47/86/13/209478613.db2.gz FXSNOKNCHQJZID-AWEZNQCLSA-N 1 0 363.418 0.980 10 5 FCBERO Cc1nc(C[C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000246622760 209393330 /nfs/dbraw/zinc/39/33/30/209393330.db2.gz ADERKISSPOVMFV-TZMCWYRMSA-N 1 0 350.379 0.798 10 5 FCBERO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245444718 209366766 /nfs/dbraw/zinc/36/67/66/209366766.db2.gz JUYTXHLZHJGNCI-HOTGVXAUSA-N 1 0 359.386 0.890 10 5 FCBERO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000246318702 209383859 /nfs/dbraw/zinc/38/38/59/209383859.db2.gz CWWHFLHVQGMVPZ-KYJSFNMBSA-N 1 0 365.430 0.987 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000373954359 217078603 /nfs/dbraw/zinc/07/86/03/217078603.db2.gz OQDPAZAQYYUWPC-HNNXBMFYSA-N 1 0 364.450 0.810 10 5 FCBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181691219 209119546 /nfs/dbraw/zinc/11/95/46/209119546.db2.gz CMUMVPDNYGSFQT-CQSZACIVSA-N 1 0 365.415 0.972 10 5 FCBERO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000419320353 246097643 /nfs/dbraw/zinc/09/76/43/246097643.db2.gz DOSBPFIDWQSOJF-IJEWVQPXSA-N 1 0 353.419 0.721 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419345879 246109495 /nfs/dbraw/zinc/10/94/95/246109495.db2.gz UMODTCOGRKIQNB-QWHCGFSZSA-N 1 0 366.418 0.929 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425003422 247284213 /nfs/dbraw/zinc/28/42/13/247284213.db2.gz HXNWZZPFIRXDCN-LSDHHAIUSA-N 1 0 356.386 0.919 10 5 FCBERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000452393121 249317172 /nfs/dbraw/zinc/31/71/72/249317172.db2.gz RYRWIHZWKCZGDC-HNNXBMFYSA-N 1 0 374.401 0.752 10 5 FCBERO Cc1nn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)c1[N+](=O)[O-] ZINC000018424520 487601915 /nfs/dbraw/zinc/60/19/15/487601915.db2.gz RWMQNYLMNKZOKD-CQSZACIVSA-N 1 0 353.423 0.881 10 5 FCBERO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)c1 ZINC000078461727 488422389 /nfs/dbraw/zinc/42/23/89/488422389.db2.gz UXLMSCQVQLVTKK-QGZVFWFLSA-N 1 0 350.419 0.410 10 5 FCBERO C[C@H](O)CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000246802253 488476111 /nfs/dbraw/zinc/47/61/11/488476111.db2.gz RIIXLWXSSZTLQV-STQMWFEESA-N 1 0 374.401 0.703 10 5 FCBERO COc1cc(CCNC(=O)C2([NH3+])CCOCC2)c([N+](=O)[O-])cc1OC ZINC000261927138 488542106 /nfs/dbraw/zinc/54/21/06/488542106.db2.gz VVMRXCPVBIFYDW-UHFFFAOYSA-N 1 0 353.375 0.779 10 5 FCBERO C[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262264344 488560162 /nfs/dbraw/zinc/56/01/62/488560162.db2.gz UVNODIPUHBRFQX-LLVKDONJSA-N 1 0 356.404 0.023 10 5 FCBERO C[NH2+]C1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262583298 488578950 /nfs/dbraw/zinc/57/89/50/488578950.db2.gz RRHYQKUEASSHFZ-UHFFFAOYSA-N 1 0 370.431 0.426 10 5 FCBERO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262794540 488593470 /nfs/dbraw/zinc/59/34/70/488593470.db2.gz STSDOAJZGFOUPY-ZJUUUORDSA-N 1 0 357.388 0.642 10 5 FCBERO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262794529 488593778 /nfs/dbraw/zinc/59/37/78/488593778.db2.gz STSDOAJZGFOUPY-NXEZZACHSA-N 1 0 357.388 0.642 10 5 FCBERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000263751445 488624234 /nfs/dbraw/zinc/62/42/34/488624234.db2.gz SUMHYJRSHFNQPG-ZDUSSCGKSA-N 1 0 364.406 0.443 10 5 FCBERO COCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273090227 488631050 /nfs/dbraw/zinc/63/10/50/488631050.db2.gz MNUIQNNMOHKDDQ-CYBMUJFWSA-N 1 0 372.447 0.183 10 5 FCBERO COc1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000264008101 488642616 /nfs/dbraw/zinc/64/26/16/488642616.db2.gz GWHVSZOMDSLETO-UHFFFAOYSA-N 1 0 366.418 0.931 10 5 FCBERO CC[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000266919214 488743916 /nfs/dbraw/zinc/74/39/16/488743916.db2.gz HUCPCMHSABHISD-GFCCVEGCSA-N 1 0 364.402 0.791 10 5 FCBERO C[C@H]1C[N@@H+](C2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)CCO1 ZINC000159772360 488787385 /nfs/dbraw/zinc/78/73/85/488787385.db2.gz XJXKYTNIRRZWIW-AWEZNQCLSA-N 1 0 350.419 0.942 10 5 FCBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000160401414 488791016 /nfs/dbraw/zinc/79/10/16/488791016.db2.gz PORXFLWPLHKYCR-AWEZNQCLSA-N 1 0 374.401 0.752 10 5 FCBERO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000162970635 488806426 /nfs/dbraw/zinc/80/64/26/488806426.db2.gz PQNHQHYWGAMLEC-CQSZACIVSA-N 1 0 357.432 0.730 10 5 FCBERO O=c1nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289398539 489064308 /nfs/dbraw/zinc/06/43/08/489064308.db2.gz KTZDJMMPGXXRMZ-YPMHNXCESA-N 1 0 363.374 0.626 10 5 FCBERO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000366321139 489170694 /nfs/dbraw/zinc/17/06/94/489170694.db2.gz WAQGGMJGHLXPSX-VROVMSAKSA-N 1 0 362.205 0.853 10 5 FCBERO COC(=O)c1cc(C)nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000367717676 489209995 /nfs/dbraw/zinc/20/99/95/489209995.db2.gz VNBYWGKHKRJSCD-NWDGAFQWSA-N 1 0 350.375 1.360 10 5 FCBERO C[N@@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000299616698 489462685 /nfs/dbraw/zinc/46/26/85/489462685.db2.gz ZALFQKVNTVXYNX-CYBMUJFWSA-N 1 0 356.404 0.084 10 5 FCBERO COc1ccc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000452057440 489541914 /nfs/dbraw/zinc/54/19/14/489541914.db2.gz LLZFCELVBDDIHE-AWEZNQCLSA-N 1 0 362.390 0.378 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416483824 489599921 /nfs/dbraw/zinc/59/99/21/489599921.db2.gz OEWWIRCLCVWOTD-SNVBAGLBSA-N 1 0 359.404 0.857 10 5 FCBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020904 489675971 /nfs/dbraw/zinc/67/59/71/489675971.db2.gz OLENCSYOXDVHOL-RISCZKNCSA-N 1 0 370.431 0.666 10 5 FCBERO COC(=O)COc1ccc(CN2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000449786711 490427654 /nfs/dbraw/zinc/42/76/54/490427654.db2.gz PRBXQIWGUCYREN-CYBMUJFWSA-N 1 0 367.402 0.645 10 5 FCBERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514591624 490772558 /nfs/dbraw/zinc/77/25/58/490772558.db2.gz VQFIKDWLMXYIGN-GFCCVEGCSA-N 1 0 370.360 0.819 10 5 FCBERO C[NH+]1CCC2(CC1)CN(c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CCO2 ZINC000596290336 491982528 /nfs/dbraw/zinc/98/25/28/491982528.db2.gz CXUABXIYZLIJBS-UHFFFAOYSA-N 1 0 370.431 0.543 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000562646607 491178042 /nfs/dbraw/zinc/17/80/42/491178042.db2.gz DUPZCYZCEXIFPV-XQQFMLRXSA-N 1 0 350.423 0.895 10 5 FCBERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000579034555 491689737 /nfs/dbraw/zinc/68/97/37/491689737.db2.gz ZTVZEFXFYZQYRW-GFCCVEGCSA-N 1 0 356.404 0.547 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2nnc3n2CCC3)cc1 ZINC000581126298 491760299 /nfs/dbraw/zinc/76/02/99/491760299.db2.gz BYYROMGXBCERDZ-UHFFFAOYSA-N 1 0 365.415 0.739 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581532944 491776517 /nfs/dbraw/zinc/77/65/17/491776517.db2.gz UWLZSBFOYGTBHU-NEPJUHHUSA-N 1 0 360.370 0.388 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000590441961 491776671 /nfs/dbraw/zinc/77/66/71/491776671.db2.gz DQJVKOMBHLUWRT-RWMBFGLXSA-N 1 0 362.386 0.955 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000590442702 491776739 /nfs/dbraw/zinc/77/67/39/491776739.db2.gz ADZXFORLQOPHFK-ZFWWWQNUSA-N 1 0 361.402 0.557 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000591982787 491826501 /nfs/dbraw/zinc/82/65/01/491826501.db2.gz RMDHYGGEKYWURW-NSHDSACASA-N 1 0 370.431 0.555 10 5 FCBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592081628 491831070 /nfs/dbraw/zinc/83/10/70/491831070.db2.gz BHSADLNHQKTORZ-LBPRGKRZSA-N 1 0 370.431 0.644 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594919332 491872109 /nfs/dbraw/zinc/87/21/09/491872109.db2.gz XQAFRTZZHLTBLG-LERXQTSPSA-N 1 0 371.415 0.660 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595117474 491885262 /nfs/dbraw/zinc/88/52/62/491885262.db2.gz DBTGMGGBYDCTRV-UHFFFAOYSA-N 1 0 355.372 0.493 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[C@H]1F ZINC000595260725 491908252 /nfs/dbraw/zinc/90/82/52/491908252.db2.gz KGEYVGWRIAMLPO-GHMZBOCLSA-N 1 0 352.322 0.218 10 5 FCBERO NC(=O)c1ccc(SCC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000595260915 491908362 /nfs/dbraw/zinc/90/83/62/491908362.db2.gz NHKVGCFXHXJCNV-NXEZZACHSA-N 1 0 356.379 0.684 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC(CO)(CO)C1 ZINC000595804661 491954970 /nfs/dbraw/zinc/95/49/70/491954970.db2.gz BIDJDKSSMRZWLV-UHFFFAOYSA-N 1 0 351.359 0.570 10 5 FCBERO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595916389 491961014 /nfs/dbraw/zinc/96/10/14/491961014.db2.gz RMMNGOSKYGNZDB-LBPRGKRZSA-N 1 0 371.401 0.752 10 5 FCBERO [NH3+]C1(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000595928837 491961916 /nfs/dbraw/zinc/96/19/16/491961916.db2.gz AOLJDDKLNMNXDF-UHFFFAOYSA-N 1 0 368.415 0.309 10 5 FCBERO CN(CC(=O)NCC12CC(C1)C[NH2+]2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595948681 491963672 /nfs/dbraw/zinc/96/36/72/491963672.db2.gz UCTVJZPQEYDOGL-UHFFFAOYSA-N 1 0 368.415 0.084 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000595951563 491964625 /nfs/dbraw/zinc/96/46/25/491964625.db2.gz YNBZKECZIJVZHC-UHFFFAOYSA-N 1 0 363.418 0.897 10 5 FCBERO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000596065881 491974180 /nfs/dbraw/zinc/97/41/80/491974180.db2.gz XVXNFFZXADFPBS-LBPRGKRZSA-N 1 0 358.416 0.891 10 5 FCBERO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000596064731 491974269 /nfs/dbraw/zinc/97/42/69/491974269.db2.gz IQNFKDAGKZBZHS-ZDUSSCGKSA-N 1 0 358.416 0.891 10 5 FCBERO O=C1N(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCCN12 ZINC000596065885 491974319 /nfs/dbraw/zinc/97/43/19/491974319.db2.gz XXZHRSVXKKQUIH-GXTWGEPZSA-N 1 0 352.395 0.032 10 5 FCBERO C[NH+](C)CCN1CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596076594 491974744 /nfs/dbraw/zinc/97/47/44/491974744.db2.gz NEXRZOPSFUYZQS-UHFFFAOYSA-N 1 0 371.463 0.680 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596098316 491975457 /nfs/dbraw/zinc/97/54/57/491975457.db2.gz KUFOTEONLFSFPP-LLVKDONJSA-N 1 0 352.395 0.028 10 5 FCBERO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596165442 491977971 /nfs/dbraw/zinc/97/79/71/491977971.db2.gz KYWVOCJQQJDJKR-SECBINFHSA-N 1 0 363.403 0.783 10 5 FCBERO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596540439 491989356 /nfs/dbraw/zinc/98/93/56/491989356.db2.gz SOZQNIPLAPGMJQ-LBPRGKRZSA-N 1 0 370.431 0.278 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000596539970 491989475 /nfs/dbraw/zinc/98/94/75/491989475.db2.gz SAPRAIAHHDKEBU-LBPRGKRZSA-N 1 0 350.375 0.812 10 5 FCBERO C[NH+](C)CCN1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603929924 492047446 /nfs/dbraw/zinc/04/74/46/492047446.db2.gz QFCMHJLKMLIAAT-UHFFFAOYSA-N 1 0 371.463 0.680 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000597989984 492076950 /nfs/dbraw/zinc/07/69/50/492076950.db2.gz JAARQQGFULOQON-MRXNPFEDSA-N 1 0 373.413 0.983 10 5 FCBERO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599090563 492134424 /nfs/dbraw/zinc/13/44/24/492134424.db2.gz NFQTUTNVFYPGGF-OLZOCXBDSA-N 1 0 372.451 0.355 10 5 FCBERO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCOCC1 ZINC000599104262 492135671 /nfs/dbraw/zinc/13/56/71/492135671.db2.gz UISHJVPPTHWADB-UHFFFAOYSA-N 1 0 366.399 0.929 10 5 FCBERO C[NH2+]CCOCCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599106701 492135864 /nfs/dbraw/zinc/13/58/64/492135864.db2.gz HQEJCPQGSLBOQF-UHFFFAOYSA-N 1 0 351.356 0.257 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000599112508 492136862 /nfs/dbraw/zinc/13/68/62/492136862.db2.gz XPLALCAFYOWIMH-GFCCVEGCSA-N 1 0 352.376 0.199 10 5 FCBERO C[NH+]1CCN(C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000609021924 492196795 /nfs/dbraw/zinc/19/67/95/492196795.db2.gz ZITQECYFSNJHIH-OAHLLOKOSA-N 1 0 373.417 0.291 10 5 FCBERO C[NH+](C)CCOc1ccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000609182385 492199761 /nfs/dbraw/zinc/19/97/61/492199761.db2.gz VPPUEZGBPPCSFB-UHFFFAOYSA-N 1 0 362.390 0.486 10 5 FCBERO C[NH+](C)C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000609417031 492208113 /nfs/dbraw/zinc/20/81/13/492208113.db2.gz CIYKMOPDBUMRPT-UHFFFAOYSA-N 1 0 360.370 0.743 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000599939503 492219279 /nfs/dbraw/zinc/21/92/79/492219279.db2.gz ZXJMHDHDPLMEFQ-SWLSCSKDSA-N 1 0 361.402 0.813 10 5 FCBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609813152 492223212 /nfs/dbraw/zinc/22/32/12/492223212.db2.gz YUWUABBCKIVMSC-AWEZNQCLSA-N 1 0 350.375 0.760 10 5 FCBERO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000609841352 492224160 /nfs/dbraw/zinc/22/41/60/492224160.db2.gz QVQLONZKUUBAJG-UHFFFAOYSA-N 1 0 370.431 0.717 10 5 FCBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000610925784 492269942 /nfs/dbraw/zinc/26/99/42/492269942.db2.gz ZWKAUTATKVQDGD-NSHDSACASA-N 1 0 351.359 0.900 10 5 FCBERO COC(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000593574530 546977921 /nfs/dbraw/zinc/97/79/21/546977921.db2.gz VETDOLCJFMAJIV-LLVKDONJSA-N 1 0 372.403 0.248 10 5 FCBERO [NH3+]C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451065 546998657 /nfs/dbraw/zinc/99/86/57/546998657.db2.gz GAWMBFYEVZLQRM-JTQLQIEISA-N 1 0 362.264 0.326 10 5 FCBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000061170809 663529450 /nfs/dbraw/zinc/52/94/50/663529450.db2.gz FKHMEHHQHXYHFE-QGZVFWFLSA-N 1 0 350.419 0.410 10 5 FCBERO O=C(CC[NH+]1CCCCC1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941007785 666572613 /nfs/dbraw/zinc/57/26/13/666572613.db2.gz TXQMDEBLZUIWSH-HUUCEWRRSA-N 1 0 352.435 0.589 10 5 FCBERO COC(=O)c1ccc(OCC(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000743775756 668052389 /nfs/dbraw/zinc/05/23/89/668052389.db2.gz KTCHJKSOZFINQC-UHFFFAOYSA-N 1 0 351.359 0.971 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000772053003 668288075 /nfs/dbraw/zinc/28/80/75/668288075.db2.gz WVPNJNSJLZOJDN-UHFFFAOYSA-N 1 0 351.363 0.228 10 5 FCBERO C[C@H](CO)[C@H](C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000828834855 669672081 /nfs/dbraw/zinc/67/20/81/669672081.db2.gz XEFTWKAUWKGTKG-KGLIPLIRSA-N 1 0 350.419 0.850 10 5 FCBERO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000841303179 670546670 /nfs/dbraw/zinc/54/66/70/670546670.db2.gz NNKWONWGRVNMBQ-UHFFFAOYSA-N 1 0 354.750 0.388 10 5 FCBERO Cc1cc(F)cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000844762147 670940968 /nfs/dbraw/zinc/94/09/68/670940968.db2.gz KEFGAAVNAMPAHK-UHFFFAOYSA-N 1 0 352.366 0.888 10 5 FCBERO O=C(C=C1CC[NH2+]CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000852823747 671526865 /nfs/dbraw/zinc/52/68/65/671526865.db2.gz KGPZYIWULFUNRA-UHFFFAOYSA-N 1 0 368.415 0.299 10 5 FCBERO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853965285 671562170 /nfs/dbraw/zinc/56/21/70/671562170.db2.gz GKSBZHJKLRBDPQ-ZDUSSCGKSA-N 1 0 370.431 0.278 10 5 FCBERO CCc1noc(C[C@@]2(O)CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000856675085 671694619 /nfs/dbraw/zinc/69/46/19/671694619.db2.gz SJEXEVCGTGOJKF-HNNXBMFYSA-N 1 0 350.379 0.806 10 5 FCBERO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860194586 671875151 /nfs/dbraw/zinc/87/51/51/671875151.db2.gz UIQKGPXSIOWXHM-WFASDCNBSA-N 1 0 357.432 0.889 10 5 FCBERO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594386116 1196718749 /nfs/dbraw/zinc/71/87/49/1196718749.db2.gz LHXKJPDDGXTWKO-UONOGXRCSA-N 1 0 357.370 0.876 10 5 FCBERO O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1C[C@@H]1C[NH2+]CCO1 ZINC000594699120 1196736471 /nfs/dbraw/zinc/73/64/71/1196736471.db2.gz QOVLNXVVKFCKNO-NSHDSACASA-N 1 0 356.342 0.479 10 5 FCBERO CCNc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593232924 1196764193 /nfs/dbraw/zinc/76/41/93/1196764193.db2.gz OHLOBRAYYTXSRK-UHFFFAOYSA-N 1 0 363.418 0.873 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000593234631 1196765274 /nfs/dbraw/zinc/76/52/74/1196765274.db2.gz KRYVXQQTVHXLBA-UHFFFAOYSA-N 1 0 364.402 0.596 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C[C@H]1C[NH3+] ZINC000593770791 1196819492 /nfs/dbraw/zinc/81/94/92/1196819492.db2.gz NGUCNZNKFRKOFC-IUODEOHRSA-N 1 0 364.402 0.918 10 5 FCBERO CCO[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593917065 1196840908 /nfs/dbraw/zinc/84/09/08/1196840908.db2.gz UWPINFFLWHOGTO-IUODEOHRSA-N 1 0 360.374 0.611 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000594105983 1196860165 /nfs/dbraw/zinc/86/01/65/1196860165.db2.gz LLXZSNZXTPJJIA-BJHJDKERSA-N 1 0 362.386 0.777 10 5 FCBERO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000816948888 1203083985 /nfs/dbraw/zinc/08/39/85/1203083985.db2.gz JIRGHOUIIZSWMG-FZMZJTMJSA-N 1 0 363.370 0.957 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001175179074 1206301277 /nfs/dbraw/zinc/30/12/77/1206301277.db2.gz ICEPBRQXIPUOBC-LSDHHAIUSA-N 1 0 365.434 0.984 10 5 FCBERO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198146728 1208224038 /nfs/dbraw/zinc/22/40/38/1208224038.db2.gz GOTMNWPXJIZAQC-WFASDCNBSA-N 1 0 365.386 0.219 10 5 FCBERO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854354025 1209623772 /nfs/dbraw/zinc/62/37/72/1209623772.db2.gz KRLXHQXXPGHKIS-ZDUSSCGKSA-N 1 0 363.374 0.931 10 5 FCBERO CN1CCOC[C@]1(CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903281358 1218390168 /nfs/dbraw/zinc/39/01/68/1218390168.db2.gz OVBQCQHTBUWCBI-GOSISDBHSA-N 1 0 364.446 0.846 10 5 FCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC001117564470 1221572228 /nfs/dbraw/zinc/57/22/28/1221572228.db2.gz LWMFSJTYMIEMCS-UHFFFAOYSA-N 1 0 361.362 0.037 10 5 FCBERO C[NH+]1CCN(c2cc(CNC(=O)c3cnc(N)c([N+](=O)[O-])c3)ccn2)CC1 ZINC001141708575 1222758640 /nfs/dbraw/zinc/75/86/40/1222758640.db2.gz LNNPZTMKJGSZMX-UHFFFAOYSA-N 1 0 371.401 0.649 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307626 1245366043 /nfs/dbraw/zinc/36/60/43/1245366043.db2.gz YTPLNKBSPTYQIS-WDEREUQCSA-N 1 0 366.349 0.583 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCc2ccccc2F)CC1 ZINC001328166870 1265496368 /nfs/dbraw/zinc/49/63/68/1265496368.db2.gz NGMCDKMOQUJFPB-GDBMZVCRSA-N 1 0 365.405 0.977 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001329946188 1265902652 /nfs/dbraw/zinc/90/26/52/1265902652.db2.gz TZUZPVJQNSYTLA-UHFFFAOYSA-N 1 0 360.370 0.134 10 5 FCBERO C[NH+]1CCC2(CCN2C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001262229742 1260283447 /nfs/dbraw/zinc/28/34/47/1260283447.db2.gz KDQHBRSZKHYRFO-UHFFFAOYSA-N 1 0 360.414 0.950 10 5 FCBERO CN(CCC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280813173 1261074695 /nfs/dbraw/zinc/07/46/95/1261074695.db2.gz BVICNOPXXGGKCV-VXGBXAGGSA-N 1 0 371.438 0.056 10 5 FCBERO NS(=O)(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001473850958 1261502078 /nfs/dbraw/zinc/50/20/78/1261502078.db2.gz VTZCOMHHYLTZHD-JTQLQIEISA-N 1 0 374.394 0.673 10 5 FCBERO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC001297879469 1262899204 /nfs/dbraw/zinc/89/92/04/1262899204.db2.gz BSEXLEKBUIWNKA-UHFFFAOYSA-N 1 0 363.418 0.817 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2cccc(Cl)n2)CC1 ZINC001484953112 1263493840 /nfs/dbraw/zinc/49/38/40/1263493840.db2.gz PCCWCARZRZIOGU-CHWSQXEVSA-N 1 0 368.821 0.843 10 5 FCBERO CNC(=O)c1ccc(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cc1 ZINC001317552582 1263517020 /nfs/dbraw/zinc/51/70/20/1263517020.db2.gz LCVUQFZUTXVCLW-HZPDHXFCSA-N 1 0 360.414 0.792 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC001320057789 1263760362 /nfs/dbraw/zinc/76/03/62/1263760362.db2.gz FZVOEIAAAGINEF-UHFFFAOYSA-N 1 0 360.374 0.782 10 5 FCBERO CN(CCC[NH2+]Cc1nnc(C2CCC2)n1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001498545568 1263975497 /nfs/dbraw/zinc/97/54/97/1263975497.db2.gz JEVDMLDVPKFYMG-CHWSQXEVSA-N 1 0 350.423 0.686 10 5 FCBERO Cc1csc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n1 ZINC001500570706 1264072991 /nfs/dbraw/zinc/07/29/91/1264072991.db2.gz JYGDUDXOXJGQDD-VXGBXAGGSA-N 1 0 354.432 0.872 10 5 FCBERO C[NH+](C)CCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@]2(C)C1 ZINC001509796899 1264469164 /nfs/dbraw/zinc/46/91/64/1264469164.db2.gz SCQLHGUEBCGTJD-KFZJALRRSA-N 1 0 352.435 0.300 10 5 FCBERO C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001512310548 1264616511 /nfs/dbraw/zinc/61/65/11/1264616511.db2.gz QAJHALZJSFBGEE-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001524611766 1266718909 /nfs/dbraw/zinc/71/89/09/1266718909.db2.gz PSJDOOOTCPAXFM-QKPAOTATSA-N 1 0 364.446 0.729 10 5 FCBERO C[NH+](C)C1(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CCC1 ZINC001532385463 1267169298 /nfs/dbraw/zinc/16/92/98/1267169298.db2.gz REBITZMKLHPGDE-CHWSQXEVSA-N 1 0 352.435 0.681 10 5 FCBERO CC(C)[NH+]1CCC(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001533490929 1267220254 /nfs/dbraw/zinc/22/02/54/1267220254.db2.gz DWZNVOOQEQGPHV-LPUOJRKPSA-N 1 0 352.435 0.561 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2C1 ZINC001538046035 1267390103 /nfs/dbraw/zinc/39/01/03/1267390103.db2.gz GMBFGXFPMCVDJG-VQISRLSMSA-N 1 0 372.381 0.647 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC001558043594 1269010079 /nfs/dbraw/zinc/01/00/79/1269010079.db2.gz OMNMIMNKQUBKLC-KRWDZBQOSA-N 1 0 359.386 0.919 10 5 FCBERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198653 1269054866 /nfs/dbraw/zinc/05/48/66/1269054866.db2.gz WJGTVZWVKADCIW-HUUCEWRRSA-N 1 0 357.374 0.879 10 5 FCBERO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001341682867 1269150064 /nfs/dbraw/zinc/15/00/64/1269150064.db2.gz GJHXCDNCWDDPHE-CHWSQXEVSA-N 1 0 350.423 0.426 10 5 FCBERO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001341682870 1269150481 /nfs/dbraw/zinc/15/04/81/1269150481.db2.gz GJHXCDNCWDDPHE-STQMWFEESA-N 1 0 350.423 0.426 10 5 FCBERO COC(=O)[C@@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001560098940 1269186882 /nfs/dbraw/zinc/18/68/82/1269186882.db2.gz WUYDJWJBZGUUQO-MRXNPFEDSA-N 1 0 367.358 0.542 10 5 FCBERO CNC(=O)C1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001560147757 1269192067 /nfs/dbraw/zinc/19/20/67/1269192067.db2.gz BIWNLGYRYBCKBT-UHFFFAOYSA-N 1 0 353.375 0.867 10 5 FCBERO Cc1ncsc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001570301154 1269866984 /nfs/dbraw/zinc/86/69/84/1269866984.db2.gz LTWLMLGAGDVLEZ-VXGBXAGGSA-N 1 0 354.432 0.872 10 5 FCBERO CN(CC[NH2+]CC(=O)N1CCc2sccc2C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591664 1287287153 /nfs/dbraw/zinc/28/71/53/1287287153.db2.gz UFUILKRFFGRSKV-CHWSQXEVSA-N 1 0 366.443 0.346 10 5 FCBERO Cn1c(Cl)cnc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001717262293 1287415503 /nfs/dbraw/zinc/41/55/03/1287415503.db2.gz DDZVWOLIJCKYAU-GHMZBOCLSA-N 1 0 371.825 0.494 10 5 FCBERO CC[N@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001718237262 1287486783 /nfs/dbraw/zinc/48/67/83/1287486783.db2.gz VCGASJJPKYRAFI-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO CCC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001718369364 1287497140 /nfs/dbraw/zinc/49/71/40/1287497140.db2.gz WUJFOSPZEUOVMQ-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001632434982 1282176057 /nfs/dbraw/zinc/17/60/57/1282176057.db2.gz FOIPCHDPNMXUCW-SNVBAGLBSA-N 1 0 358.420 0.702 10 5 FCBERO CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001585463682 1282228830 /nfs/dbraw/zinc/22/88/30/1282228830.db2.gz VBTRZXVBUJJNQI-HUUCEWRRSA-N 1 0 366.462 0.833 10 5 FCBERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403851 1282244018 /nfs/dbraw/zinc/24/40/18/1282244018.db2.gz NJXJXYGRPHPFPR-CZUORRHYSA-N 1 0 350.419 0.770 10 5 FCBERO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC001634090372 1282296145 /nfs/dbraw/zinc/29/61/45/1282296145.db2.gz MFPLAIGGMXIYCX-UHFFFAOYSA-N 1 0 351.407 0.785 10 5 FCBERO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635942271 1282443660 /nfs/dbraw/zinc/44/36/60/1282443660.db2.gz ROMKHFKTPBXFPU-LBPRGKRZSA-N 1 0 358.358 0.378 10 5 FCBERO CC(C)[NH+]1CCC(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001720479731 1288233556 /nfs/dbraw/zinc/23/35/56/1288233556.db2.gz CVGVLWNNEHOFNG-HUUCEWRRSA-N 1 0 354.451 0.737 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001721209483 1288311737 /nfs/dbraw/zinc/31/17/37/1288311737.db2.gz WCOJLZBAWLULOD-ZIAGYGMSSA-N 1 0 354.451 0.881 10 5 FCBERO CC(C)[N@H+](C)CC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001721565766 1288351495 /nfs/dbraw/zinc/35/14/95/1288351495.db2.gz DRKHWXZPDPERHF-HZPDHXFCSA-N 1 0 362.430 0.924 10 5 FCBERO CS(=O)(=O)c1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001723514800 1288424373 /nfs/dbraw/zinc/42/43/73/1288424373.db2.gz LHFPOLZXTKZIMW-ZIAGYGMSSA-N 1 0 367.427 0.494 10 5 FCBERO CCn1nnc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001724356803 1288437027 /nfs/dbraw/zinc/43/70/27/1288437027.db2.gz VNNWSKBOQNUYIS-CHWSQXEVSA-N 1 0 366.422 0.027 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OCCC[NH2+]Cc2ncccn2)CC1 ZINC001725210947 1288463482 /nfs/dbraw/zinc/46/34/82/1288463482.db2.gz ATXFVBVUWSSPCK-HUUCEWRRSA-N 1 0 363.418 0.629 10 5 FCBERO CC(C)NC(=O)NCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700692907 1289601038 /nfs/dbraw/zinc/60/10/38/1289601038.db2.gz TYVKQSMMQFTJOX-ZIAGYGMSSA-N 1 0 355.439 0.282 10 5 FCBERO COc1c(C)[nH]cc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O ZINC001620471178 1289989865 /nfs/dbraw/zinc/98/98/65/1289989865.db2.gz IOXMIYWKDZJPTH-CYBMUJFWSA-N 1 0 351.363 0.290 10 5 FCBERO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001626877287 1290422228 /nfs/dbraw/zinc/42/22/28/1290422228.db2.gz OSXUMMFFBODWLU-UHFFFAOYSA-N 1 0 370.797 0.352 10 5 FCBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001627692049 1290477041 /nfs/dbraw/zinc/47/70/41/1290477041.db2.gz DYBLZPUJJUCKNJ-OAHLLOKOSA-N 1 0 363.418 0.971 10 5 FCBERO Cc1c(C(=O)NCCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001758402209 1290833414 /nfs/dbraw/zinc/83/34/14/1290833414.db2.gz WVMFOMHKVQJCNP-HUUCEWRRSA-N 1 0 359.386 0.886 10 5 FCBERO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001643422679 1290886999 /nfs/dbraw/zinc/88/69/99/1290886999.db2.gz PNOBISIHQYZIPJ-GASCZTMLSA-N 1 0 361.402 0.699 10 5 FCBERO COc1ccc([C@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[NH2+]2)cc1 ZINC001644200488 1290946923 /nfs/dbraw/zinc/94/69/23/1290946923.db2.gz GHAFKDNRLDTSJL-DOTOQJQBSA-N 1 0 361.402 0.807 10 5 FCBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC001648500879 1291127060 /nfs/dbraw/zinc/12/70/60/1291127060.db2.gz UVUOZKWYFVATCS-LBPRGKRZSA-N 1 0 370.431 0.842 10 5 FCBERO NS(=O)(=O)c1cccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001651494969 1291224606 /nfs/dbraw/zinc/22/46/06/1291224606.db2.gz HJVZEVACPZSGAT-RYUDHWBXSA-N 1 0 370.431 0.278 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001651989330 1291254377 /nfs/dbraw/zinc/25/43/77/1291254377.db2.gz METHKRNPLCYEKH-ZDUSSCGKSA-N 1 0 363.461 0.953 10 5 FCBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761313 1291297506 /nfs/dbraw/zinc/29/75/06/1291297506.db2.gz WEDDHYCEOSQTGQ-OCCSQVGLSA-N 1 0 352.391 0.378 10 5 FCBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001654477863 1291412613 /nfs/dbraw/zinc/41/26/13/1291412613.db2.gz LHUUGCOROYSQPH-YKJXYISPSA-N 1 0 360.370 0.906 10 5 FCBERO CN(Cc1cnn(C)c1)C(=O)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654504376 1291415251 /nfs/dbraw/zinc/41/52/51/1291415251.db2.gz XVOREMIRFMFIBM-QGZVFWFLSA-N 1 0 361.402 0.784 10 5 FCBERO NS(=O)(=O)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001654975465 1291448020 /nfs/dbraw/zinc/44/80/20/1291448020.db2.gz SJWZMGBZLLALGQ-LLVKDONJSA-N 1 0 356.404 0.534 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC001659506883 1291640518 /nfs/dbraw/zinc/64/05/18/1291640518.db2.gz LQTGEKOUWKZYST-BDJLRTHQSA-N 1 0 353.375 0.750 10 5 FCBERO CN1C(=O)CCc2cc(C[N@H+](C)CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC001663179902 1291747933 /nfs/dbraw/zinc/74/79/33/1291747933.db2.gz GELLUCUFFNSYBM-GDBMZVCRSA-N 1 0 360.414 0.809 10 5 FCBERO O=C(NC/C=C/CNCc1cn(-c2ccccc2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668822334 1291976042 /nfs/dbraw/zinc/97/60/42/1291976042.db2.gz WXYOGZPTAIYGFT-FZZYSBJUSA-N 1 0 356.386 0.695 10 5 FCBERO CCC[N@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001671001936 1292030119 /nfs/dbraw/zinc/03/01/19/1292030119.db2.gz HGNUSTMDAFXYIQ-HUUCEWRRSA-N 1 0 354.451 0.881 10 5 FCBERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001142428366 849443522 /nfs/dbraw/zinc/44/35/22/849443522.db2.gz MDFPEVNFGLFQDL-LLVKDONJSA-N 1 0 370.431 0.702 10 5 FCBERO CC[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001163085292 850353487 /nfs/dbraw/zinc/35/34/87/850353487.db2.gz OSPAFHSKUCMWLS-GFCCVEGCSA-N 1 0 372.447 0.672 10 5 FCBERO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001174615314 850741610 /nfs/dbraw/zinc/74/16/10/850741610.db2.gz SSDZMVZGIDDWHX-CYBMUJFWSA-N 1 0 357.411 0.999 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@H](CO)C1 ZINC001175183589 850755145 /nfs/dbraw/zinc/75/51/45/850755145.db2.gz KCRFNIRQVDVBRS-ZDUSSCGKSA-N 1 0 352.391 0.540 10 5 FCBERO COC(=O)CN(C)C(=O)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323087 850761640 /nfs/dbraw/zinc/76/16/40/850761640.db2.gz HPAIGQADCDVLKC-INIZCTEOSA-N 1 0 353.375 0.413 10 5 FCBERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001176600992 850793035 /nfs/dbraw/zinc/79/30/35/850793035.db2.gz XJQVQBZTMBNXRF-HZPDHXFCSA-N 1 0 352.366 0.875 10 5 FCBERO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001195125353 852710755 /nfs/dbraw/zinc/71/07/55/852710755.db2.gz YSWOQSJBCHWUFP-HIFRSBDPSA-N 1 0 351.407 0.629 10 5 FCBERO O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001195125355 852711018 /nfs/dbraw/zinc/71/10/18/852711018.db2.gz YSWOQSJBCHWUFP-UKRRQHHQSA-N 1 0 351.407 0.629 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC001196284407 852931250 /nfs/dbraw/zinc/93/12/50/852931250.db2.gz BLPWXHGOBOGPBS-WBMJQRKESA-N 1 0 353.375 0.750 10 5 FCBERO C[C@]1([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892536 853181238 /nfs/dbraw/zinc/18/12/38/853181238.db2.gz ZVTGFUXJWFYCGL-BLLLJJGKSA-N 1 0 350.375 0.967 10 5 FCBERO CC[N@@H+](CC(=O)NC1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281830788 863791466 /nfs/dbraw/zinc/79/14/66/863791466.db2.gz MFOARVLTGULDEO-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO C[NH+](C)C1(C(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 ZINC001288770267 864803737 /nfs/dbraw/zinc/80/37/37/864803737.db2.gz KZHYPMCHSRTVEX-CHWSQXEVSA-N 1 0 352.435 0.539 10 5 FCBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC[NH+](C(C)C)CC1 ZINC001296300208 865954374 /nfs/dbraw/zinc/95/43/74/865954374.db2.gz AMNPTBJCLUHBBY-HUUCEWRRSA-N 1 0 354.451 0.737 10 5 FCBERO CC[N@H+](C)CCC(=O)N1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001297618955 866045637 /nfs/dbraw/zinc/04/56/37/866045637.db2.gz FGVISODHYDTTCS-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001302833283 866359560 /nfs/dbraw/zinc/35/95/60/866359560.db2.gz RTJIXQYYONSJQV-ZIAGYGMSSA-N 1 0 351.407 0.594 10 5 FCBERO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001350366631 866576986 /nfs/dbraw/zinc/57/69/86/866576986.db2.gz ZLUJUGBGKQWYBJ-GFCCVEGCSA-N 1 0 356.404 0.210 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC001321057569 868353694 /nfs/dbraw/zinc/35/36/94/868353694.db2.gz QAANMBXBBXYGJJ-GEYXIOIISA-N 1 0 350.350 0.691 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC001321057572 868353902 /nfs/dbraw/zinc/35/39/02/868353902.db2.gz QAANMBXBBXYGJJ-KOMGFDSOSA-N 1 0 350.350 0.691 10 5 FCBERO CN(CCC[NH+](C)C)C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001322712856 868916234 /nfs/dbraw/zinc/91/62/34/868916234.db2.gz KPZHOKLLMKJSMK-UHFFFAOYSA-N 1 0 352.391 0.500 10 5 FCBERO C[C@@H](CO)[C@@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265858639 210236100 /nfs/dbraw/zinc/23/61/00/210236100.db2.gz RJQCYBMEFAMYDL-NWDGAFQWSA-N 1 0 374.463 0.864 10 5 FCBERO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284918800 213248595 /nfs/dbraw/zinc/24/85/95/213248595.db2.gz SZYPTHQWMOWAQI-SJORKVTESA-N 1 0 360.414 0.889 10 5 FCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262294717 209563001 /nfs/dbraw/zinc/56/30/01/209563001.db2.gz OYZJHMVJWUXXHC-UFBFGSQYSA-N 1 0 363.292 0.846 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368816308 216299333 /nfs/dbraw/zinc/29/93/33/216299333.db2.gz JVRFGVNWAHGAPV-CQSZACIVSA-N 1 0 364.402 0.948 10 5 FCBERO CCOC(=O)C1(COC)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000373803859 217061877 /nfs/dbraw/zinc/06/18/77/217061877.db2.gz FQVWHESGTCFCHM-CQSZACIVSA-N 1 0 370.406 0.444 10 5 FCBERO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](C)O2 ZINC000374023765 217086016 /nfs/dbraw/zinc/08/60/16/217086016.db2.gz BZBYFWWRFMRQFT-OCVGTWLNSA-N 1 0 354.407 0.811 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181697796 209120974 /nfs/dbraw/zinc/12/09/74/209120974.db2.gz ORKMNRHMPBYCSV-AWEZNQCLSA-N 1 0 365.415 0.972 10 5 FCBERO CN(CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452386306 249315168 /nfs/dbraw/zinc/31/51/68/249315168.db2.gz FKHDMAGTJJJUIX-AWEZNQCLSA-N 1 0 350.419 0.994 10 5 FCBERO C[C@H](CC[NH+](C)C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000498648486 250658603 /nfs/dbraw/zinc/65/86/03/250658603.db2.gz HTLDWDYFBBBMMF-GFCCVEGCSA-N 1 0 372.447 0.720 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000107283706 208241632 /nfs/dbraw/zinc/24/16/32/208241632.db2.gz MCXGBVAVURDOQG-AWEZNQCLSA-N 1 0 350.423 0.420 10 5 FCBERO COc1cccc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174655483 533579121 /nfs/dbraw/zinc/57/91/21/533579121.db2.gz XCBKJCWKMYLZOJ-INIZCTEOSA-N 1 0 361.402 0.983 10 5 FCBERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301923637 488885921 /nfs/dbraw/zinc/88/59/21/488885921.db2.gz GKHSQNRJDISEGB-LBPRGKRZSA-N 1 0 359.390 0.380 10 5 FCBERO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060430 488914280 /nfs/dbraw/zinc/91/42/80/488914280.db2.gz LMOASAALNDUNPA-BLLLJJGKSA-N 1 0 364.358 0.009 10 5 FCBERO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000077392593 488412666 /nfs/dbraw/zinc/41/26/66/488412666.db2.gz WWHYALREEZAYNX-UHFFFAOYSA-N 1 0 362.477 0.914 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)n1 ZINC000191813622 488421182 /nfs/dbraw/zinc/42/11/82/488421182.db2.gz QDRWVYDQXFROAF-UHFFFAOYSA-N 1 0 352.439 0.815 10 5 FCBERO CC[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247580110 488488268 /nfs/dbraw/zinc/48/82/68/488488268.db2.gz IIQNQKOEILZZGZ-SWLSCSKDSA-N 1 0 350.419 0.971 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261898989 488540442 /nfs/dbraw/zinc/54/04/42/488540442.db2.gz WCBQFJMVTOQZRE-BETUJISGSA-N 1 0 374.397 0.778 10 5 FCBERO C[C@]1(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000262059172 488548708 /nfs/dbraw/zinc/54/87/08/488548708.db2.gz QZAZNKBCFRXTOV-INIZCTEOSA-N 1 0 368.459 0.901 10 5 FCBERO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262295707 488562163 /nfs/dbraw/zinc/56/21/63/488562163.db2.gz PBMPRKZEUZCFHG-BXKDBHETSA-N 1 0 358.192 0.596 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000272422007 488579489 /nfs/dbraw/zinc/57/94/89/488579489.db2.gz HRHMDKMWIJBPLM-CABCVRRESA-N 1 0 373.413 0.941 10 5 FCBERO CNS(=O)(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000264146178 488650409 /nfs/dbraw/zinc/65/04/09/488650409.db2.gz PJWOLTHFBIXGAX-UHFFFAOYSA-N 1 0 358.420 0.007 10 5 FCBERO COCC[N@@H+]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273456633 488652488 /nfs/dbraw/zinc/65/24/88/488652488.db2.gz HFPRDSSRPPADII-UHFFFAOYSA-N 1 0 358.420 0.401 10 5 FCBERO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000267943062 488830273 /nfs/dbraw/zinc/83/02/73/488830273.db2.gz OMRJOJIDVZCZMW-OAHLLOKOSA-N 1 0 355.347 0.639 10 5 FCBERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000174084582 488847460 /nfs/dbraw/zinc/84/74/60/488847460.db2.gz PSOBZGCDQDYLHV-JKSUJKDBSA-N 1 0 353.419 0.723 10 5 FCBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000181566371 488863411 /nfs/dbraw/zinc/86/34/11/488863411.db2.gz KJSLIDNQSZESBL-LLVKDONJSA-N 1 0 366.399 0.755 10 5 FCBERO O=c1nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000288801898 489017328 /nfs/dbraw/zinc/01/73/28/489017328.db2.gz CZCWIEBSPQTHJN-NEPJUHHUSA-N 1 0 363.374 0.626 10 5 FCBERO COC(=O)c1cc(C)nc(N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000286138067 489360094 /nfs/dbraw/zinc/36/00/94/489360094.db2.gz NIGYZIWZOBVKEE-UHFFFAOYSA-N 1 0 365.390 0.295 10 5 FCBERO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000451657815 489514634 /nfs/dbraw/zinc/51/46/34/489514634.db2.gz BVDQQJUGXCFOSK-HNNXBMFYSA-N 1 0 357.432 0.861 10 5 FCBERO CN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000415740831 489548741 /nfs/dbraw/zinc/54/87/41/489548741.db2.gz XQHJJXYEABBEOV-UHFFFAOYSA-N 1 0 357.164 0.726 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426485652 489569633 /nfs/dbraw/zinc/56/96/33/489569633.db2.gz OOBKQOIPQRMGIZ-ZDUSSCGKSA-N 1 0 366.418 0.930 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000427092531 489594019 /nfs/dbraw/zinc/59/40/19/489594019.db2.gz KFUYDISRTMUHHW-STQMWFEESA-N 1 0 352.395 0.070 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459639698 489743372 /nfs/dbraw/zinc/74/33/72/489743372.db2.gz DKIOBDRQHSGQHK-INIZCTEOSA-N 1 0 353.375 0.751 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459653259 489747034 /nfs/dbraw/zinc/74/70/34/489747034.db2.gz XPMDKLHWNFVSBI-INIZCTEOSA-N 1 0 353.375 0.751 10 5 FCBERO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000563960268 491279806 /nfs/dbraw/zinc/27/98/06/491279806.db2.gz ROLNDIQHJMUKHZ-ONGXEEELSA-N 1 0 372.328 0.906 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420451526 489979241 /nfs/dbraw/zinc/97/92/41/489979241.db2.gz QWAATJXUAGSDJT-JTQLQIEISA-N 1 0 357.388 0.802 10 5 FCBERO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@]1(C)C[NH3+] ZINC000420480551 489983469 /nfs/dbraw/zinc/98/34/69/489983469.db2.gz PGIDLDAEGZQFOJ-MEBBXXQBSA-N 1 0 371.415 0.971 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420480571 489983538 /nfs/dbraw/zinc/98/35/38/489983538.db2.gz PKJFNPXHHLCCGP-MNOVXSKESA-N 1 0 371.415 0.987 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397527143 490167214 /nfs/dbraw/zinc/16/72/14/490167214.db2.gz JBRVAMTUJPUGGP-UHFFFAOYSA-N 1 0 373.413 0.935 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000502359454 490702654 /nfs/dbraw/zinc/70/26/54/490702654.db2.gz HQKINVGQIAIFGN-UHFFFAOYSA-N 1 0 361.406 0.992 10 5 FCBERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000518519384 490943880 /nfs/dbraw/zinc/94/38/80/490943880.db2.gz SEJHALXZMBMKDR-DOMZBBRYSA-N 1 0 372.385 0.540 10 5 FCBERO CNc1nccc(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)c1[N+](=O)[O-] ZINC000584360733 491583234 /nfs/dbraw/zinc/58/32/34/491583234.db2.gz POZZVZPLEHPUTJ-UHFFFAOYSA-N 1 0 372.385 1.398 10 5 FCBERO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561243226 491588565 /nfs/dbraw/zinc/58/85/65/491588565.db2.gz BSSGIWRLHCOUAR-SFHVURJKSA-N 1 0 360.414 0.856 10 5 FCBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000576743682 491641128 /nfs/dbraw/zinc/64/11/28/491641128.db2.gz MBANWPHXVVPDCU-CYBMUJFWSA-N 1 0 360.374 0.920 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587987681 491736602 /nfs/dbraw/zinc/73/66/02/491736602.db2.gz DENMQFCWCIDJIT-GFCCVEGCSA-N 1 0 363.418 0.678 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000590445053 491777084 /nfs/dbraw/zinc/77/70/84/491777084.db2.gz PXDQOUJUXODDOP-JQWIXIFHSA-N 1 0 354.388 0.018 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000590445987 491777088 /nfs/dbraw/zinc/77/70/88/491777088.db2.gz QGXMKEKBKIMCOA-GWCFXTLKSA-N 1 0 358.354 0.353 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000591984830 491826837 /nfs/dbraw/zinc/82/68/37/491826837.db2.gz IUENUZXIHVJLPE-NSHDSACASA-N 1 0 350.375 0.938 10 5 FCBERO C[NH+]1CCC2(CC1)CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)CCO2 ZINC000591990074 491827143 /nfs/dbraw/zinc/82/71/43/491827143.db2.gz RRNFFZPVQBIULE-UHFFFAOYSA-N 1 0 352.395 0.298 10 5 FCBERO Cc1cc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000592081611 491831101 /nfs/dbraw/zinc/83/11/01/491831101.db2.gz AVLWFPUMJWWYRH-GFCCVEGCSA-N 1 0 370.431 0.644 10 5 FCBERO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595109390 491884238 /nfs/dbraw/zinc/88/42/38/491884238.db2.gz DMRSDQSFYUBDLZ-OCCSQVGLSA-N 1 0 356.404 0.507 10 5 FCBERO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595109765 491884290 /nfs/dbraw/zinc/88/42/90/491884290.db2.gz NLXGVVWJCXAPBA-ZFWWWQNUSA-N 1 0 370.431 0.897 10 5 FCBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595113932 491884880 /nfs/dbraw/zinc/88/48/80/491884880.db2.gz PNDZREQHHGUWDO-BZPMIXESSA-N 1 0 370.431 0.897 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595279341 491911963 /nfs/dbraw/zinc/91/19/63/491911963.db2.gz IOXQOSJWWVYEAH-HUUCEWRRSA-N 1 0 366.393 0.931 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(CO)(CO)C1 ZINC000595802064 491954411 /nfs/dbraw/zinc/95/44/11/491954411.db2.gz YORPXWCNWVGGHJ-UHFFFAOYSA-N 1 0 353.375 0.609 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000595948528 491963678 /nfs/dbraw/zinc/96/36/78/491963678.db2.gz RFUFVGZNBFCKMH-UHFFFAOYSA-N 1 0 351.407 0.654 10 5 FCBERO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595985371 491969026 /nfs/dbraw/zinc/96/90/26/491969026.db2.gz IJAGRRDMKHLISL-NSHDSACASA-N 1 0 374.405 0.470 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596143092 491977694 /nfs/dbraw/zinc/97/76/94/491977694.db2.gz WTMMLRJDKMSXNF-NSHDSACASA-N 1 0 358.420 0.135 10 5 FCBERO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1OC ZINC000596579311 491991658 /nfs/dbraw/zinc/99/16/58/491991658.db2.gz GQOUGUKSDGZVEH-UHFFFAOYSA-N 1 0 351.359 0.817 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000597941888 492074094 /nfs/dbraw/zinc/07/40/94/492074094.db2.gz GDZFVFCVXWBSNV-ZDUSSCGKSA-N 1 0 353.423 0.145 10 5 FCBERO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000597990737 492076910 /nfs/dbraw/zinc/07/69/10/492076910.db2.gz NDMKJVAICDPRJI-HNNXBMFYSA-N 1 0 359.386 0.674 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000598161212 492086587 /nfs/dbraw/zinc/08/65/87/492086587.db2.gz COPZMNXXRZEYDZ-UHFFFAOYSA-N 1 0 370.431 0.235 10 5 FCBERO Nc1nccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1[N+](=O)[O-] ZINC000598366825 492096435 /nfs/dbraw/zinc/09/64/35/492096435.db2.gz DWRAYVGIAJCIND-CHWSQXEVSA-N 1 0 361.402 0.945 10 5 FCBERO CC(C)(C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000598452301 492099249 /nfs/dbraw/zinc/09/92/49/492099249.db2.gz JBGRGMAIMNQBNE-AWEZNQCLSA-N 1 0 351.407 0.584 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991242 492129282 /nfs/dbraw/zinc/12/92/82/492129282.db2.gz XGGCSKJASIZRNO-HIFRSBDPSA-N 1 0 354.359 0.776 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000599099000 492135270 /nfs/dbraw/zinc/13/52/70/492135270.db2.gz DZWQBPSWGONUSI-GFCCVEGCSA-N 1 0 357.436 0.729 10 5 FCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000599111331 492136943 /nfs/dbraw/zinc/13/69/43/492136943.db2.gz HLZQRQGEUZWYER-NSHDSACASA-N 1 0 352.376 0.199 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)n1 ZINC000599229071 492145754 /nfs/dbraw/zinc/14/57/54/492145754.db2.gz PJQOFXPAGZPDMT-UHFFFAOYSA-N 1 0 368.419 0.476 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000599248547 492148579 /nfs/dbraw/zinc/14/85/79/492148579.db2.gz NYEQYUGXUIWUAT-LBPRGKRZSA-N 1 0 357.436 0.825 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000599266807 492151735 /nfs/dbraw/zinc/15/17/35/492151735.db2.gz MIVIEVBCWROCCK-DGCLKSJQSA-N 1 0 369.447 0.966 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000608861379 492194504 /nfs/dbraw/zinc/19/45/04/492194504.db2.gz QMPUODCSOAAUTK-OAHLLOKOSA-N 1 0 361.402 0.853 10 5 FCBERO C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[NH2+]1 ZINC000599962750 492223421 /nfs/dbraw/zinc/22/34/21/492223421.db2.gz UOINODXUGPOXHV-RYUDHWBXSA-N 1 0 364.406 0.212 10 5 FCBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610925856 492269830 /nfs/dbraw/zinc/26/98/30/492269830.db2.gz IUBMFNPUXYVRDZ-CYBMUJFWSA-N 1 0 365.386 0.943 10 5 FCBERO COc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])cc1OC ZINC000619873511 492280599 /nfs/dbraw/zinc/28/05/99/492280599.db2.gz JVMANBRSVCIYJU-GFCCVEGCSA-N 1 0 364.402 0.732 10 5 FCBERO Cc1nn(CCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(C)c1[N+](=O)[O-] ZINC000619873570 492280659 /nfs/dbraw/zinc/28/06/59/492280659.db2.gz OISDNGRPCHSIFL-CQSZACIVSA-N 1 0 350.423 0.304 10 5 FCBERO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611335200 492285858 /nfs/dbraw/zinc/28/58/58/492285858.db2.gz WGJXMMXWPQMZAN-CYBMUJFWSA-N 1 0 350.423 0.569 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599100102 546515056 /nfs/dbraw/zinc/51/50/56/546515056.db2.gz FJXQNKDNLICYLH-CYBMUJFWSA-N 1 0 369.399 0.944 10 5 FCBERO O=C(CCOC1C[NH2+]C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592021627 546943925 /nfs/dbraw/zinc/94/39/25/546943925.db2.gz SNNOKCKGLRWFOP-UHFFFAOYSA-N 1 0 368.415 0.319 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000592879000 546960025 /nfs/dbraw/zinc/96/00/25/546960025.db2.gz JROBRVOGXLAGJO-GFCCVEGCSA-N 1 0 350.375 0.552 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)nc1 ZINC000593544304 546973117 /nfs/dbraw/zinc/97/31/17/546973117.db2.gz QDFLGBNTQHLNSP-UHFFFAOYSA-N 1 0 370.431 0.913 10 5 FCBERO COC(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000593574531 546978248 /nfs/dbraw/zinc/97/82/48/546978248.db2.gz VETDOLCJFMAJIV-NSHDSACASA-N 1 0 372.403 0.248 10 5 FCBERO [NH3+]CC1(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000593730903 546990378 /nfs/dbraw/zinc/99/03/78/546990378.db2.gz MYDVGPLFHVGKFV-UHFFFAOYSA-N 1 0 357.388 0.773 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594312843 546997409 /nfs/dbraw/zinc/99/74/09/546997409.db2.gz WDDTWQJFKFNNRB-KLPPZKSPSA-N 1 0 350.375 0.998 10 5 FCBERO COc1cc(OCC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594393447 546998113 /nfs/dbraw/zinc/99/81/13/546998113.db2.gz NCARWQWWAYAGEC-NWDGAFQWSA-N 1 0 351.359 0.260 10 5 FCBERO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778254 547009342 /nfs/dbraw/zinc/00/93/42/547009342.db2.gz FWLMZSSKBKFYTE-UHFFFAOYSA-N 1 0 359.452 0.494 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000594822189 547014516 /nfs/dbraw/zinc/01/45/16/547014516.db2.gz RVURXNFPJYQSEU-SNVBAGLBSA-N 1 0 359.404 1.000 10 5 FCBERO O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000923588726 667852996 /nfs/dbraw/zinc/85/29/96/667852996.db2.gz IHNCFVDUTZEDHM-OAHLLOKOSA-N 1 0 354.432 0.799 10 5 FCBERO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848602268 671285681 /nfs/dbraw/zinc/28/56/81/671285681.db2.gz XWJUNOMCZKCSMY-MRVPVSSYSA-N 1 0 352.244 0.987 10 5 FCBERO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000851852347 671473939 /nfs/dbraw/zinc/47/39/39/671473939.db2.gz MMCLEQGZWDLHOH-GFCCVEGCSA-N 1 0 373.406 0.954 10 5 FCBERO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000858641804 671771303 /nfs/dbraw/zinc/77/13/03/671771303.db2.gz OPDSPOSVGZZERP-WCBMZHEXSA-N 1 0 358.376 0.802 10 5 FCBERO C[NH+](C)CCOCCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863507205 672132621 /nfs/dbraw/zinc/13/26/21/672132621.db2.gz PYKSXNUMWMRKSL-INIZCTEOSA-N 1 0 350.375 0.940 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000760415546 1192830861 /nfs/dbraw/zinc/83/08/61/1192830861.db2.gz UCBPNVCPGFXMPH-UHFFFAOYSA-N 1 0 360.418 0.998 10 5 FCBERO NC(=O)c1cccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001269545446 1187856090 /nfs/dbraw/zinc/85/60/90/1187856090.db2.gz PZISGCTYZMDASI-HUUCEWRRSA-N 1 0 360.414 0.969 10 5 FCBERO CC(C)N(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001270328496 1188096168 /nfs/dbraw/zinc/09/61/68/1188096168.db2.gz DKBVGXVKISDYCJ-HUUCEWRRSA-N 1 0 366.462 0.833 10 5 FCBERO Cc1nn(CCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000592875069 1196585881 /nfs/dbraw/zinc/58/58/81/1196585881.db2.gz VVWMHGHFJRHQPT-ZDUSSCGKSA-N 1 0 366.422 0.377 10 5 FCBERO C[NH+](C)CCN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593051992 1196605932 /nfs/dbraw/zinc/60/59/32/1196605932.db2.gz UBKHMVFVNSMXFR-HNNXBMFYSA-N 1 0 366.418 0.040 10 5 FCBERO COc1ccc(C(=O)NCC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594400535 1196715903 /nfs/dbraw/zinc/71/59/03/1196715903.db2.gz FFKUHCRXKOLJJT-BJHJDKERSA-N 1 0 364.402 0.790 10 5 FCBERO CCO[C@@H]1CN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593316351 1196770247 /nfs/dbraw/zinc/77/02/47/1196770247.db2.gz PKTDHGWKTDHCNO-CZUORRHYSA-N 1 0 367.402 0.942 10 5 FCBERO CCO[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C[NH3+] ZINC000593708601 1196815003 /nfs/dbraw/zinc/81/50/03/1196815003.db2.gz XHPSUXFAMFLKJZ-QMTHXVAHSA-N 1 0 362.390 0.976 10 5 FCBERO Cc1ccc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001483732388 1197113892 /nfs/dbraw/zinc/11/38/92/1197113892.db2.gz HLSDESWCQCKSFV-TZMCWYRMSA-N 1 0 364.377 0.976 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000744661966 1198324251 /nfs/dbraw/zinc/32/42/51/1198324251.db2.gz RSQMDKFEDHCSLU-UHFFFAOYSA-N 1 0 365.390 0.386 10 5 FCBERO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809656 1199093708 /nfs/dbraw/zinc/09/37/08/1199093708.db2.gz BMMCGSACTYKNLO-LSDHHAIUSA-N 1 0 362.430 0.946 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008411 1206370789 /nfs/dbraw/zinc/37/07/89/1206370789.db2.gz KGALCNPVONUJQE-AAEUAGOBSA-N 1 0 366.422 0.417 10 5 FCBERO CN(CC1C[NH+](C)C1)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853555957 1209599237 /nfs/dbraw/zinc/59/92/37/1209599237.db2.gz TXSHRFVZOBCQPB-QGZVFWFLSA-N 1 0 361.402 0.813 10 5 FCBERO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854354976 1209623356 /nfs/dbraw/zinc/62/33/56/1209623356.db2.gz WHWASYVYFKCCHC-OAHLLOKOSA-N 1 0 358.402 0.451 10 5 FCBERO C[NH+](C)C[C@H](CO)NC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000854468256 1209629900 /nfs/dbraw/zinc/62/99/00/1209629900.db2.gz PPHSVANYHRMELJ-SECBINFHSA-N 1 0 372.328 0.072 10 5 FCBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000866555892 1209998992 /nfs/dbraw/zinc/99/89/92/1209998992.db2.gz VKQVHOOCDFBKHO-SJCJKPOMSA-N 1 0 367.377 0.882 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707321 1210002089 /nfs/dbraw/zinc/00/20/89/1210002089.db2.gz HYKZTGYXMGCTMR-FMKPAKJESA-N 1 0 362.386 0.970 10 5 FCBERO O=C(NC/C=C/C[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274017727 1210861616 /nfs/dbraw/zinc/86/16/16/1210861616.db2.gz VOFRJCGBLOCYON-YMBFEGSUSA-N 1 0 371.397 0.324 10 5 FCBERO Cc1c(CNC(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000930257904 1211699720 /nfs/dbraw/zinc/69/97/20/1211699720.db2.gz PTQSYWOPMRLNQB-KDOFPFPSSA-N 1 0 360.414 0.930 10 5 FCBERO CN1CCOC[C@@]1(CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903281359 1218390687 /nfs/dbraw/zinc/39/06/87/1218390687.db2.gz OVBQCQHTBUWCBI-SFHVURJKSA-N 1 0 364.446 0.846 10 5 FCBERO C[NH+]1CCC(N(CCO)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC001163748459 1223233677 /nfs/dbraw/zinc/23/36/77/1223233677.db2.gz ADVYCFWOTKOXQD-UHFFFAOYSA-N 1 0 374.401 0.704 10 5 FCBERO O=C(c1ccc2c[nH+]cn2c1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941007778 1246427945 /nfs/dbraw/zinc/42/79/45/1246427945.db2.gz SSGHBPWBSCMIID-HUUCEWRRSA-N 1 0 357.370 0.674 10 5 FCBERO CN(CC(C)(C)C[NH2+]Cc1nnc2n1CCOC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329290580 1265728678 /nfs/dbraw/zinc/72/86/78/1265728678.db2.gz BZDNKEPWSLZHQX-VXGBXAGGSA-N 1 0 366.422 0.048 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001331754211 1266277712 /nfs/dbraw/zinc/27/77/12/1266277712.db2.gz OWXCDBWFQHSQEF-OAHLLOKOSA-N 1 0 360.414 0.997 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCC1=CCCCC1 ZINC001265476508 1260414094 /nfs/dbraw/zinc/41/40/94/1260414094.db2.gz GSQLYPCFVSWXIC-KLHDSHLOSA-N 1 0 364.446 0.895 10 5 FCBERO C[C@@H]1[C@@H](NC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC001479379567 1263188832 /nfs/dbraw/zinc/18/88/32/1263188832.db2.gz YKFAFQRWLXMCHL-AQNFWKISSA-N 1 0 352.391 0.381 10 5 FCBERO CC(C)CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001480391503 1263430514 /nfs/dbraw/zinc/43/05/14/1263430514.db2.gz MFAVAZVWVSFKHC-GAGVYUBLSA-N 1 0 366.462 0.591 10 5 FCBERO CN(CC(C)(C)C[NH2+]Cc1noc2c1COCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485251164 1263499439 /nfs/dbraw/zinc/49/94/39/1263499439.db2.gz ZQPNQMJHHXUKFV-BXUZGUMPSA-N 1 0 366.418 0.987 10 5 FCBERO CN(CCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496588157 1263885627 /nfs/dbraw/zinc/88/56/27/1263885627.db2.gz XTRMTVMUKGNBGS-HUUCEWRRSA-N 1 0 352.435 0.348 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1c[nH+]ccc1N(C)C ZINC001497256518 1263921211 /nfs/dbraw/zinc/92/12/11/1263921211.db2.gz ICAPDZAVQKZMNM-IUODEOHRSA-N 1 0 363.418 0.781 10 5 FCBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC001323615041 1264468835 /nfs/dbraw/zinc/46/88/35/1264468835.db2.gz CWFGUQMWXNIYIU-GXTWGEPZSA-N 1 0 366.422 0.096 10 5 FCBERO CCn1ccc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001325794264 1264996325 /nfs/dbraw/zinc/99/63/25/1264996325.db2.gz LHDHSRLCFVOXIT-HZPDHXFCSA-N 1 0 364.450 0.238 10 5 FCBERO C[NH+]1CCC2(CCN2C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC001334813442 1267187455 /nfs/dbraw/zinc/18/74/55/1267187455.db2.gz WYGLJJWULXVODC-UHFFFAOYSA-N 1 0 360.414 0.950 10 5 FCBERO COc1cc(CCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC001540521246 1267450266 /nfs/dbraw/zinc/45/02/66/1267450266.db2.gz WJBGSQYLLQVSCG-PXAZEXFGSA-N 1 0 367.402 0.726 10 5 FCBERO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001544139347 1267570732 /nfs/dbraw/zinc/57/07/32/1267570732.db2.gz MLYMSYXZSCPXFX-MLGOLLRUSA-N 1 0 373.417 0.540 10 5 FCBERO CC(=O)N1CCN(c2ccc(C(=O)NOC[C@@H](C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC001340455478 1268553006 /nfs/dbraw/zinc/55/30/06/1268553006.db2.gz AIVYCVNYWHSHMB-LLVKDONJSA-N 1 0 365.390 0.272 10 5 FCBERO O=C(c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001557296295 1268940666 /nfs/dbraw/zinc/94/06/66/1268940666.db2.gz KPQLTUAJHFZKEF-QWHCGFSZSA-N 1 0 358.358 0.067 10 5 FCBERO CCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC001558051713 1269014221 /nfs/dbraw/zinc/01/42/21/1269014221.db2.gz YEEQEOQDWIPAMM-STQMWFEESA-N 1 0 351.407 0.988 10 5 FCBERO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001559500593 1269170402 /nfs/dbraw/zinc/17/04/02/1269170402.db2.gz GLZGAAOWEUMVES-OCCSQVGLSA-N 1 0 353.423 0.963 10 5 FCBERO NC(=O)N1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001342420548 1269465714 /nfs/dbraw/zinc/46/57/14/1269465714.db2.gz LNSFKNVRWVMUSI-UHFFFAOYSA-N 1 0 356.404 0.501 10 5 FCBERO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001569360843 1269778228 /nfs/dbraw/zinc/77/82/28/1269778228.db2.gz CORNVDAWSZLZCH-RISCZKNCSA-N 1 0 363.370 0.957 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CCCCC1 ZINC001569400080 1269780866 /nfs/dbraw/zinc/78/08/66/1269780866.db2.gz GQESJEOZGGAYTE-ZIAGYGMSSA-N 1 0 352.435 0.587 10 5 FCBERO C[NH+](C)CCC(=O)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001572570703 1270096692 /nfs/dbraw/zinc/09/66/92/1270096692.db2.gz KKSIQYZRQZSQGR-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO C[N@H+](CCCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713764299 1287296380 /nfs/dbraw/zinc/29/63/80/1287296380.db2.gz XLZKXLWWKUUILQ-HZPDHXFCSA-N 1 0 366.462 0.835 10 5 FCBERO O=C(C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CC1 ZINC001714325879 1287318917 /nfs/dbraw/zinc/31/89/17/1287318917.db2.gz BYTJVXXIDOQWIT-HUUCEWRRSA-N 1 0 352.435 0.396 10 5 FCBERO CC(C)NC(=O)NCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001714914598 1287338721 /nfs/dbraw/zinc/33/87/21/1287338721.db2.gz WGYPPWUERUQOEY-HUUCEWRRSA-N 1 0 369.466 0.530 10 5 FCBERO CS(=O)(=O)CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001715169152 1287345505 /nfs/dbraw/zinc/34/55/05/1287345505.db2.gz VQGNHIJGIXKZMX-ZIAGYGMSSA-N 1 0 361.464 0.305 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCCCC1 ZINC001716681160 1287385735 /nfs/dbraw/zinc/38/57/35/1287385735.db2.gz JZGMDZGTVJELCH-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO COCC[N@H+](Cc1cnn(C)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001716717076 1287387714 /nfs/dbraw/zinc/38/77/14/1287387714.db2.gz RHTOPAYBGUFFKP-HZPDHXFCSA-N 1 0 365.434 0.525 10 5 FCBERO COc1cc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001717015690 1287401677 /nfs/dbraw/zinc/40/16/77/1287401677.db2.gz OSWVRWHJASSDNJ-ZIAGYGMSSA-N 1 0 367.406 0.019 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001588016522 1282396515 /nfs/dbraw/zinc/39/65/15/1282396515.db2.gz IXJUBXMPPWPYET-GJZGRUSLSA-N 1 0 364.402 0.251 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)n1 ZINC001635901144 1282441090 /nfs/dbraw/zinc/44/10/90/1282441090.db2.gz KOZFBSAROULVQG-UHFFFAOYSA-N 1 0 350.423 0.663 10 5 FCBERO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635941445 1282443845 /nfs/dbraw/zinc/44/38/45/1282443845.db2.gz LTKZCXLWISYVAH-LBPRGKRZSA-N 1 0 357.370 0.983 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC001636278101 1282478763 /nfs/dbraw/zinc/47/87/63/1282478763.db2.gz GLFCOTATSGMGOR-KRWDZBQOSA-N 1 0 365.386 0.895 10 5 FCBERO O=C(CNC(=O)COc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC001636608864 1282523765 /nfs/dbraw/zinc/52/37/65/1282523765.db2.gz CYKAOWCKJINWLQ-UHFFFAOYSA-N 1 0 364.402 0.692 10 5 FCBERO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCC1 ZINC001638122074 1282662243 /nfs/dbraw/zinc/66/22/43/1282662243.db2.gz DTLAZKHFYISGPN-ZDUSSCGKSA-N 1 0 365.390 0.289 10 5 FCBERO CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+]1C ZINC001638909151 1282733821 /nfs/dbraw/zinc/73/38/21/1282733821.db2.gz ADNFAVXFZKZSPW-CYBMUJFWSA-N 1 0 370.431 0.426 10 5 FCBERO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1occc1C[NH+](C)C ZINC001703577909 1286119612 /nfs/dbraw/zinc/11/96/12/1286119612.db2.gz DTBCZIIYMZRCEP-CHWSQXEVSA-N 1 0 352.391 0.585 10 5 FCBERO CCC[N@H+](C)CC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001705444631 1286394340 /nfs/dbraw/zinc/39/43/40/1286394340.db2.gz YDFHKJHOFZWPQY-ZIAGYGMSSA-N 1 0 354.451 0.738 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCC1=CCCCC1 ZINC001731475967 1288557451 /nfs/dbraw/zinc/55/74/51/1288557451.db2.gz GSQLYPCFVSWXIC-QKPAOTATSA-N 1 0 364.446 0.895 10 5 FCBERO COc1ccc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001732322053 1288580983 /nfs/dbraw/zinc/58/09/83/1288580983.db2.gz XBFAUMHERAWYEF-HUUCEWRRSA-N 1 0 363.418 0.869 10 5 FCBERO CCn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n1 ZINC001733466695 1288610875 /nfs/dbraw/zinc/61/08/75/1288610875.db2.gz JRHZOQQIODVNEW-ZIAGYGMSSA-N 1 0 351.407 0.323 10 5 FCBERO Cc1csc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001733579549 1288621516 /nfs/dbraw/zinc/62/15/16/1288621516.db2.gz PPBVSQOMNHSNJW-ZIAGYGMSSA-N 1 0 367.475 0.787 10 5 FCBERO CN(C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1nccs1 ZINC001734205765 1288645442 /nfs/dbraw/zinc/64/54/42/1288645442.db2.gz YTEDUCBYQDIXKT-DDHJBXDOSA-N 1 0 367.431 0.256 10 5 FCBERO C[NH+](C)CCC(=O)NCC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001736344782 1289269756 /nfs/dbraw/zinc/26/97/56/1289269756.db2.gz BJRQOWZUYAGJCO-HUUCEWRRSA-N 1 0 368.478 0.984 10 5 FCBERO CC(C)(C)CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001700105491 1289584706 /nfs/dbraw/zinc/58/47/06/1289584706.db2.gz IDBFWCVAMRPYEG-ZIAGYGMSSA-N 1 0 366.462 0.738 10 5 FCBERO CC(C)[N@H+](C)CC(=O)N1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001738210379 1289646513 /nfs/dbraw/zinc/64/65/13/1289646513.db2.gz PEFXXCYYCVXBQC-HUUCEWRRSA-N 1 0 354.451 0.737 10 5 FCBERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001618273186 1289895169 /nfs/dbraw/zinc/89/51/69/1289895169.db2.gz IBYRERNRUNJVIF-PWSUYJOCSA-N 1 0 370.431 0.797 10 5 FCBERO CN(CCCC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001618331262 1289899336 /nfs/dbraw/zinc/89/93/36/1289899336.db2.gz XAGLHCNKQSZCMQ-UHFFFAOYSA-N 1 0 358.420 0.656 10 5 FCBERO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001618485018 1289912520 /nfs/dbraw/zinc/91/25/20/1289912520.db2.gz NIJATHPDYPQFTH-SUMWQHHRSA-N 1 0 363.418 0.849 10 5 FCBERO C[NH+]1CCC(O)(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001618679656 1289927781 /nfs/dbraw/zinc/92/77/81/1289927781.db2.gz MYUGTSNCGAGTCR-UHFFFAOYSA-N 1 0 371.415 0.185 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001618753151 1289935613 /nfs/dbraw/zinc/93/56/13/1289935613.db2.gz NYYKKOZBVMWVGM-KRWDZBQOSA-N 1 0 374.401 0.704 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001620549298 1289999208 /nfs/dbraw/zinc/99/92/08/1289999208.db2.gz XOQHAOBTOPNCAE-ZDUSSCGKSA-N 1 0 362.390 0.802 10 5 FCBERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564202 1290001694 /nfs/dbraw/zinc/00/16/94/1290001694.db2.gz CXZQUNUUHREBIL-FMKPAKJESA-N 1 0 365.434 0.923 10 5 FCBERO Nc1ncc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001624743962 1290293087 /nfs/dbraw/zinc/29/30/87/1290293087.db2.gz CTDYBXJLTFNJQL-OAHLLOKOSA-N 1 0 371.397 0.721 10 5 FCBERO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001626199704 1290380331 /nfs/dbraw/zinc/38/03/31/1290380331.db2.gz JIHGWDBTPNYXSE-UHFFFAOYSA-N 1 0 370.431 0.800 10 5 FCBERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC001643510662 1290901488 /nfs/dbraw/zinc/90/14/88/1290901488.db2.gz NFOCOFMQOZJAME-SNVBAGLBSA-N 1 0 356.404 0.375 10 5 FCBERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001644256677 1290949355 /nfs/dbraw/zinc/94/93/55/1290949355.db2.gz ARLYKZJYXDEGIL-LLVKDONJSA-N 1 0 358.420 0.558 10 5 FCBERO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001645133012 1291006161 /nfs/dbraw/zinc/00/61/61/1291006161.db2.gz UPYWJNAGOPKOPX-NSHDSACASA-N 1 0 370.431 0.656 10 5 FCBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC001648500878 1291126651 /nfs/dbraw/zinc/12/66/51/1291126651.db2.gz UVUOZKWYFVATCS-GFCCVEGCSA-N 1 0 370.431 0.842 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001652655949 1291289654 /nfs/dbraw/zinc/28/96/54/1291289654.db2.gz VOWKVGKBMCAAGV-OAHLLOKOSA-N 1 0 350.379 0.410 10 5 FCBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC001654030346 1291389065 /nfs/dbraw/zinc/38/90/65/1291389065.db2.gz KHCIZDDVSKNGDM-LLVKDONJSA-N 1 0 370.431 0.717 10 5 FCBERO C[C@]1(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)COC(=O)N1 ZINC001655613860 1291477645 /nfs/dbraw/zinc/47/76/45/1291477645.db2.gz WEEPORUJYNCBHE-MRXNPFEDSA-N 1 0 350.375 0.967 10 5 FCBERO O=C(N1CCOCC1)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC001656493843 1291533710 /nfs/dbraw/zinc/53/37/10/1291533710.db2.gz VCRKREMNMKFHCG-UHFFFAOYSA-N 1 0 351.407 0.943 10 5 FCBERO COC(=O)C1([C@@]2(O)CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC001660337816 1291656546 /nfs/dbraw/zinc/65/65/46/1291656546.db2.gz DPXQQBUGCGTUII-MRXNPFEDSA-N 1 0 352.391 0.962 10 5 FCBERO CS(=O)(=O)c1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001277055733 861746060 /nfs/dbraw/zinc/74/60/60/861746060.db2.gz UGZIGAJOSTZLHT-ZIAGYGMSSA-N 1 0 367.427 0.494 10 5 FCBERO C[N@H+]1CC=C(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC001137819442 849285506 /nfs/dbraw/zinc/28/55/06/849285506.db2.gz UNDNFZJHZRTGJM-UHFFFAOYSA-N 1 0 353.400 0.990 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001168339409 850582170 /nfs/dbraw/zinc/58/21/70/850582170.db2.gz MNECCCPLHCGGFA-UHFFFAOYSA-N 1 0 357.432 0.675 10 5 FCBERO CCNC(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171501193 850686032 /nfs/dbraw/zinc/68/60/32/850686032.db2.gz HMOIDUKCRJLCBW-UHFFFAOYSA-N 1 0 358.420 0.331 10 5 FCBERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001176600990 850793101 /nfs/dbraw/zinc/79/31/01/850793101.db2.gz XJQVQBZTMBNXRF-CVEARBPZSA-N 1 0 352.366 0.875 10 5 FCBERO O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001195125357 852710992 /nfs/dbraw/zinc/71/09/92/852710992.db2.gz YSWOQSJBCHWUFP-ZFWWWQNUSA-N 1 0 351.407 0.629 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC001197431007 853114062 /nfs/dbraw/zinc/11/40/62/853114062.db2.gz AELVBKVKBZWQGU-ZBFHGGJFSA-N 1 0 353.423 0.385 10 5 FCBERO CCn1nc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001275668329 861151086 /nfs/dbraw/zinc/15/10/86/861151086.db2.gz KUBYXMXYFMQSMM-TZMCWYRMSA-N 1 0 352.439 0.846 10 5 FCBERO O=C(NC1(C[NH2+]CCn2cc(Cl)cn2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001281243413 863493569 /nfs/dbraw/zinc/49/35/69/863493569.db2.gz XIFCHHRVLMKGAV-CHWSQXEVSA-N 1 0 371.825 0.457 10 5 FCBERO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001293316965 865785256 /nfs/dbraw/zinc/78/52/56/865785256.db2.gz HDSCLIVZYYYPES-UHFFFAOYSA-N 1 0 368.415 0.085 10 5 FCBERO CCCN(C(=O)CC[NH+](C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001353029947 867328425 /nfs/dbraw/zinc/32/84/25/867328425.db2.gz JABPQPPFHCEUBS-HUUCEWRRSA-N 1 0 354.451 0.833 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC001327600639 870965944 /nfs/dbraw/zinc/96/59/44/870965944.db2.gz CZCAHBIEPJDXMN-UHFFFAOYSA-N 1 0 352.395 0.347 10 5 FCBERO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001329434229 872024540 /nfs/dbraw/zinc/02/45/40/872024540.db2.gz QVLCFQRLUDIZDS-NSHDSACASA-N 1 0 350.375 0.396 10 5 FCBERO COc1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC001329437855 872029948 /nfs/dbraw/zinc/02/99/48/872029948.db2.gz OAWKVNOZLIWFRZ-CMPLNLGQSA-N 1 0 350.375 0.476 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000265877124 210241652 /nfs/dbraw/zinc/24/16/52/210241652.db2.gz RYHVBUZYTKTFLJ-GFCCVEGCSA-N 1 0 372.447 0.518 10 5 FCBERO O=c1c([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc2ccccn21 ZINC000301519807 214756103 /nfs/dbraw/zinc/75/61/03/214756103.db2.gz CXSISASSOWPEQR-ZDUSSCGKSA-N 1 0 359.386 0.761 10 5 FCBERO CN(CC(=O)NC[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265719858 210206864 /nfs/dbraw/zinc/20/68/64/210206864.db2.gz YSJGXEDROALFLE-ZDUSSCGKSA-N 1 0 370.431 0.426 10 5 FCBERO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000366640866 216009017 /nfs/dbraw/zinc/00/90/17/216009017.db2.gz LQRCRXHAYHHHQK-MRXNPFEDSA-N 1 0 360.414 0.700 10 5 FCBERO Cc1c(F)cc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262355268 209575339 /nfs/dbraw/zinc/57/53/39/209575339.db2.gz UXEPPQQFTYQFAZ-GFCCVEGCSA-N 1 0 372.422 0.711 10 5 FCBERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000246622749 209392657 /nfs/dbraw/zinc/39/26/57/209392657.db2.gz ADERKISSPOVMFV-GXTWGEPZSA-N 1 0 350.379 0.798 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181924127 209124033 /nfs/dbraw/zinc/12/40/33/209124033.db2.gz QLAMDJZMXMJABZ-CABCVRRESA-N 1 0 353.419 0.723 10 5 FCBERO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000418708091 245816828 /nfs/dbraw/zinc/81/68/28/245816828.db2.gz UCKFTVBEVPHFOX-UWVGGRQHSA-N 1 0 355.420 0.859 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000419320349 246097421 /nfs/dbraw/zinc/09/74/21/246097421.db2.gz DOSBPFIDWQSOJF-FMKPAKJESA-N 1 0 353.419 0.721 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000419346102 246109003 /nfs/dbraw/zinc/10/90/03/246109003.db2.gz UWEUKNMMXFIXBV-ZIAGYGMSSA-N 1 0 362.430 0.871 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419345877 246109600 /nfs/dbraw/zinc/10/96/00/246109600.db2.gz UMODTCOGRKIQNB-CHWSQXEVSA-N 1 0 366.418 0.929 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000427092528 247499886 /nfs/dbraw/zinc/49/98/86/247499886.db2.gz KFUYDISRTMUHHW-CHWSQXEVSA-N 1 0 352.395 0.070 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000068430803 208027984 /nfs/dbraw/zinc/02/79/84/208027984.db2.gz GIWIFJCRTPPBPR-GFCCVEGCSA-N 1 0 351.407 0.811 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072797711 208040100 /nfs/dbraw/zinc/04/01/00/208040100.db2.gz FLKQLJXNKIQQEU-AWEZNQCLSA-N 1 0 350.419 0.946 10 5 FCBERO C[NH+](C)Cc1ccc(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000114415517 208313778 /nfs/dbraw/zinc/31/37/78/208313778.db2.gz DTMSBMCVPKEIDV-UHFFFAOYSA-N 1 0 373.417 0.597 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266631617 210371435 /nfs/dbraw/zinc/37/14/35/210371435.db2.gz QALPLHJVPDJGAW-CYBMUJFWSA-N 1 0 366.418 0.930 10 5 FCBERO Cc1cc(S(=O)(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000180077450 209090576 /nfs/dbraw/zinc/09/05/76/209090576.db2.gz HHLKSKWXDOPLIZ-NSHDSACASA-N 1 0 361.395 0.993 10 5 FCBERO C[N@@H+]1CCC[C@H](N2CCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000301292432 488878355 /nfs/dbraw/zinc/87/83/55/488878355.db2.gz NYNDIKRPGDWQCT-AWEZNQCLSA-N 1 0 372.429 0.819 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000012141187 487549645 /nfs/dbraw/zinc/54/96/45/487549645.db2.gz COLQEVFBRHYGFV-UHFFFAOYSA-N 1 0 358.420 0.129 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000554305140 491192339 /nfs/dbraw/zinc/19/23/39/491192339.db2.gz ICORHBNNJUVOOP-LLVKDONJSA-N 1 0 352.416 0.940 10 5 FCBERO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000261919736 488542124 /nfs/dbraw/zinc/54/21/24/488542124.db2.gz UVXPWWIQTMWEKZ-UHFFFAOYSA-N 1 0 362.386 0.387 10 5 FCBERO O=c1n(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccn21 ZINC000118865958 488554345 /nfs/dbraw/zinc/55/43/45/488554345.db2.gz HGUDCKRWPVBUKO-CYBMUJFWSA-N 1 0 369.385 0.986 10 5 FCBERO COc1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000263210862 488606736 /nfs/dbraw/zinc/60/67/36/488606736.db2.gz KGTUZEMFKUNZGA-PWSUYJOCSA-N 1 0 361.345 0.917 10 5 FCBERO COCCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273090228 488631061 /nfs/dbraw/zinc/63/10/61/488631061.db2.gz MNUIQNNMOHKDDQ-ZDUSSCGKSA-N 1 0 372.447 0.183 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273485797 488654154 /nfs/dbraw/zinc/65/41/54/488654154.db2.gz NUSSBDFCSZIEHW-LLVKDONJSA-N 1 0 358.420 0.135 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000264415215 488671891 /nfs/dbraw/zinc/67/18/91/488671891.db2.gz JYDIIICVZJOTCE-GFCCVEGCSA-N 1 0 372.447 0.518 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154312043 488741458 /nfs/dbraw/zinc/74/14/58/488741458.db2.gz DPHAZIFKAXVIFW-HUUCEWRRSA-N 1 0 374.401 0.186 10 5 FCBERO COC(=O)c1cc(N2CCN(C(=O)C[NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000267977455 488832002 /nfs/dbraw/zinc/83/20/02/488832002.db2.gz OGYBVNORRSGIGT-UHFFFAOYSA-N 1 0 364.402 0.900 10 5 FCBERO Cc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000268091204 488839130 /nfs/dbraw/zinc/83/91/30/488839130.db2.gz GFXXBALZNDGVRE-NSHDSACASA-N 1 0 370.431 0.717 10 5 FCBERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000176002765 488857053 /nfs/dbraw/zinc/85/70/53/488857053.db2.gz UQMZVZNXKVQIKY-CYBMUJFWSA-N 1 0 363.418 0.938 10 5 FCBERO COc1ccc(NC(=O)CCN2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000426492312 489570887 /nfs/dbraw/zinc/57/08/87/489570887.db2.gz PYFREOQLVQPEQW-CYBMUJFWSA-N 1 0 366.418 0.930 10 5 FCBERO Cc1nn(C)c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000570962910 491276708 /nfs/dbraw/zinc/27/67/08/491276708.db2.gz MENXFRWMLQVYRF-UHFFFAOYSA-N 1 0 350.423 0.583 10 5 FCBERO COCC[NH+](CCOC)C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000571071931 491284336 /nfs/dbraw/zinc/28/43/36/491284336.db2.gz MFERVAKYEGRFSJ-UHFFFAOYSA-N 1 0 369.422 0.528 10 5 FCBERO CC[NH+]1CCN(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000461877120 489942724 /nfs/dbraw/zinc/94/27/24/489942724.db2.gz PXUUWNXHCNHZBC-UHFFFAOYSA-N 1 0 361.446 0.881 10 5 FCBERO COc1c[nH+]ccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000478468740 490021248 /nfs/dbraw/zinc/02/12/48/490021248.db2.gz JYYYCLTZCJPBIF-UHFFFAOYSA-N 1 0 360.374 0.852 10 5 FCBERO CC(C)C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000445129774 490129749 /nfs/dbraw/zinc/12/97/49/490129749.db2.gz ACROEKORTHGQQQ-LBPRGKRZSA-N 1 0 367.406 0.518 10 5 FCBERO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC([NH+](C)C)C1 ZINC000497704443 490198885 /nfs/dbraw/zinc/19/88/85/490198885.db2.gz HSNNHPKAJQOTQJ-NSHDSACASA-N 1 0 370.431 0.812 10 5 FCBERO C[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000498261364 490279059 /nfs/dbraw/zinc/27/90/59/490279059.db2.gz HGKWVBHWGOXVBA-ZDUSSCGKSA-N 1 0 370.431 0.621 10 5 FCBERO C[C@@H]1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000571551506 491315118 /nfs/dbraw/zinc/31/51/18/491315118.db2.gz AZHYNPFVABWJIH-XOKHGSTOSA-N 1 0 373.413 0.931 10 5 FCBERO CNC(=O)CCOC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000536379810 490573436 /nfs/dbraw/zinc/57/34/36/490573436.db2.gz VHYKVXDZVSUOBO-UHFFFAOYSA-N 1 0 352.391 0.374 10 5 FCBERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000564957527 491340811 /nfs/dbraw/zinc/34/08/11/491340811.db2.gz SHUSIKFFOKPABW-MJVIPROJSA-N 1 0 370.431 0.600 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487072041 490691261 /nfs/dbraw/zinc/69/12/61/490691261.db2.gz GGZABMNNLHODQQ-OAHLLOKOSA-N 1 0 358.402 0.867 10 5 FCBERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000502958103 490732373 /nfs/dbraw/zinc/73/23/73/490732373.db2.gz VLTLGWDMZFOHDR-BDJLRTHQSA-N 1 0 368.390 0.221 10 5 FCBERO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000539023461 490762148 /nfs/dbraw/zinc/76/21/48/490762148.db2.gz FZVXUMLECRLSFR-OKILXGFUSA-N 1 0 364.450 0.959 10 5 FCBERO C[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000540423626 490821848 /nfs/dbraw/zinc/82/18/48/490821848.db2.gz BRRQESPMQRWSJP-LLVKDONJSA-N 1 0 353.404 0.957 10 5 FCBERO O=C(C[NH2+]C1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000518411680 490940472 /nfs/dbraw/zinc/94/04/72/490940472.db2.gz VEBQOUUMKVBXTP-UHFFFAOYSA-N 1 0 368.415 0.180 10 5 FCBERO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000518519390 490943710 /nfs/dbraw/zinc/94/37/10/490943710.db2.gz SEJHALXZMBMKDR-WFASDCNBSA-N 1 0 372.385 0.540 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596365481 491984797 /nfs/dbraw/zinc/98/47/97/491984797.db2.gz ZEAHXQQENTVVCU-LBPRGKRZSA-N 1 0 373.479 0.926 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000574191995 491479898 /nfs/dbraw/zinc/47/98/98/491479898.db2.gz QDPSMDHRGORXBV-SNVBAGLBSA-N 1 0 357.310 0.386 10 5 FCBERO Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000574445740 491497339 /nfs/dbraw/zinc/49/73/39/491497339.db2.gz FFHCUMWKVNJOGJ-HIFRSBDPSA-N 1 0 363.422 0.453 10 5 FCBERO Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000574445739 491497354 /nfs/dbraw/zinc/49/73/54/491497354.db2.gz FFHCUMWKVNJOGJ-DZGCQCFKSA-N 1 0 363.422 0.453 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000559794054 491500507 /nfs/dbraw/zinc/50/05/07/491500507.db2.gz KXXQJBOBYGFXEW-UHFFFAOYSA-N 1 0 364.402 0.685 10 5 FCBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000585814924 491730785 /nfs/dbraw/zinc/73/07/85/491730785.db2.gz VSSQKOWQKGKXQQ-GJZGRUSLSA-N 1 0 364.402 0.468 10 5 FCBERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588001075 491736987 /nfs/dbraw/zinc/73/69/87/491736987.db2.gz LCSSMKAQOZEZCS-OAHLLOKOSA-N 1 0 363.418 0.412 10 5 FCBERO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680477 491764828 /nfs/dbraw/zinc/76/48/28/491764828.db2.gz SZIVLJOSNXQRBV-QGZVFWFLSA-N 1 0 361.402 0.984 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590354977 491774157 /nfs/dbraw/zinc/77/41/57/491774157.db2.gz GTNWPMXRHQXOGA-INIZCTEOSA-N 1 0 370.413 0.900 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000590537676 491778444 /nfs/dbraw/zinc/77/84/44/491778444.db2.gz HIKOXWGBMQMNEP-KRWDZBQOSA-N 1 0 374.401 0.704 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592309614 491835870 /nfs/dbraw/zinc/83/58/70/491835870.db2.gz SLIAJTJFJSSWNS-LLVKDONJSA-N 1 0 363.374 0.112 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594919334 491872168 /nfs/dbraw/zinc/87/21/68/491872168.db2.gz XQAFRTZZHLTBLG-ZLKJLUDKSA-N 1 0 371.415 0.660 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000600669684 491874621 /nfs/dbraw/zinc/87/46/21/491874621.db2.gz UDOBTDKDFOBIBZ-YABSGUDNSA-N 1 0 369.399 0.562 10 5 FCBERO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595278631 491911665 /nfs/dbraw/zinc/91/16/65/491911665.db2.gz QRGKHRZIHWURBZ-UHFFFAOYSA-N 1 0 358.398 0.954 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000595403126 491929115 /nfs/dbraw/zinc/92/91/15/491929115.db2.gz CEILUGXEIZMEAL-LBPRGKRZSA-N 1 0 358.420 0.721 10 5 FCBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cnnn1C1CC[NH2+]CC1 ZINC000595922218 491961634 /nfs/dbraw/zinc/96/16/34/491961634.db2.gz AADAZKUXRNUEPC-UHFFFAOYSA-N 1 0 360.374 0.920 10 5 FCBERO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595986710 491969188 /nfs/dbraw/zinc/96/91/88/491969188.db2.gz RREVZNCWFDYWJJ-NSHDSACASA-N 1 0 374.405 0.470 10 5 FCBERO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595989307 491969476 /nfs/dbraw/zinc/96/94/76/491969476.db2.gz RWOHDDZDBAFGEE-UHFFFAOYSA-N 1 0 368.415 0.131 10 5 FCBERO NS(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000596539687 491989553 /nfs/dbraw/zinc/98/95/53/491989553.db2.gz PVCIMHNGKGBJNI-CYBMUJFWSA-N 1 0 370.431 0.278 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 ZINC000596567369 491991227 /nfs/dbraw/zinc/99/12/27/491991227.db2.gz LYMAKQZHZWRCHA-AWEZNQCLSA-N 1 0 372.447 0.789 10 5 FCBERO CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000597947589 492074583 /nfs/dbraw/zinc/07/45/83/492074583.db2.gz ZKRFPOIWUJAYSZ-HNNXBMFYSA-N 1 0 363.418 0.947 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000599108664 492135838 /nfs/dbraw/zinc/13/58/38/492135838.db2.gz PGGKNZLJJHHEQY-VXGBXAGGSA-N 1 0 357.436 0.729 10 5 FCBERO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000599106557 492135940 /nfs/dbraw/zinc/13/59/40/492135940.db2.gz VKHSXAAQJZQWTA-VHSXEESVSA-N 1 0 357.388 0.785 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000599247806 492148451 /nfs/dbraw/zinc/14/84/51/492148451.db2.gz UJALIVAQGDMOFM-GFCCVEGCSA-N 1 0 357.436 0.681 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000617407224 492166983 /nfs/dbraw/zinc/16/69/83/492166983.db2.gz HUAOSVLRTXATBV-ZDUSSCGKSA-N 1 0 350.423 0.663 10 5 FCBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@@H]21 ZINC000599656405 492197013 /nfs/dbraw/zinc/19/70/13/492197013.db2.gz IPQDNJZBMAOFTB-YJNKXOJESA-N 1 0 352.391 0.816 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000599940960 492219556 /nfs/dbraw/zinc/21/95/56/492219556.db2.gz VEZLOJNAPADSOJ-GXTWGEPZSA-N 1 0 361.402 0.813 10 5 FCBERO 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NKRBWBWZOFROML-GFCCVEGCSA-N 1 0 373.431 0.993 10 5 FCBERO CN(C)S(=O)(=O)[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127581 669081926 /nfs/dbraw/zinc/08/19/26/669081926.db2.gz FIIGOOQTNGDKTK-CABCVRRESA-N 1 0 357.432 0.984 10 5 FCBERO CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796257019 669091429 /nfs/dbraw/zinc/09/14/29/669091429.db2.gz YBAYAYFHJBAFMM-OAHLLOKOSA-N 1 0 357.432 0.889 10 5 FCBERO O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)NCC[NH+]1CCC1 ZINC000827238779 669551282 /nfs/dbraw/zinc/55/12/82/669551282.db2.gz XUCQYQZPBCLLGL-UHFFFAOYSA-N 1 0 354.313 0.855 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1=O ZINC000844765892 670940801 /nfs/dbraw/zinc/94/08/01/670940801.db2.gz UVDPPGIILGTKNR-UHFFFAOYSA-N 1 0 356.329 0.719 10 5 FCBERO O=C(CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000847050433 671168691 /nfs/dbraw/zinc/16/86/91/671168691.db2.gz URBVGPPOMCNZCR-QWHCGFSZSA-N 1 0 352.366 0.813 10 5 FCBERO 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CCN(C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+](C)C1 ZINC001330878374 1266110324 /nfs/dbraw/zinc/11/03/24/1266110324.db2.gz UAPRZHRLTPRZCE-CQSZACIVSA-N 1 0 364.402 0.772 10 5 FCBERO Cc1cccnc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001279431259 1260868666 /nfs/dbraw/zinc/86/86/66/1260868666.db2.gz ILQXHQROBSEPTM-NVXWUHKLSA-N 1 0 361.446 0.725 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332334881 1266380420 /nfs/dbraw/zinc/38/04/20/1266380420.db2.gz OKFPSFJEYDZLJG-INIZCTEOSA-N 1 0 360.414 0.731 10 5 FCBERO CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CCC[NH+](CCC1)C2 ZINC001283718343 1261698731 /nfs/dbraw/zinc/69/87/31/1261698731.db2.gz VRCZKDNBWTWHGJ-HUUCEWRRSA-N 1 0 366.462 0.882 10 5 FCBERO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001294065892 1262724951 /nfs/dbraw/zinc/72/49/51/1262724951.db2.gz MKWBXHXRGISORO-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO CC(C)[N@H+](C)CCCC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483820477 1263447889 /nfs/dbraw/zinc/44/78/89/1263447889.db2.gz GAHJVLWEYXTKOZ-HUUCEWRRSA-N 1 0 354.451 0.879 10 5 FCBERO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001484567435 1263478145 /nfs/dbraw/zinc/47/81/45/1263478145.db2.gz KACKRYOWZNSPLY-DTZQCDIJSA-N 1 0 366.462 0.975 10 5 FCBERO Cc1ncsc1CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001484862786 1263490245 /nfs/dbraw/zinc/49/02/45/1263490245.db2.gz QKIHPPMKSJHOCD-CHWSQXEVSA-N 1 0 368.459 0.914 10 5 FCBERO O=C(NC1(C[NH2+]CCOc2ccccc2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484862804 1263490344 /nfs/dbraw/zinc/49/03/44/1263490344.db2.gz QYJRTNTYPMFWAV-HZPDHXFCSA-N 1 0 363.414 0.986 10 5 FCBERO COc1cccc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001317076002 1263500334 /nfs/dbraw/zinc/50/03/34/1263500334.db2.gz KQLPVNNOCMMTNP-QHSBEEBCSA-N 1 0 362.386 0.536 10 5 FCBERO CN(CCCNC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001492433228 1263657358 /nfs/dbraw/zinc/65/73/58/1263657358.db2.gz LYVHOHLGDSHZBZ-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)Nc1cnccn1 ZINC001495917232 1263842455 /nfs/dbraw/zinc/84/24/55/1263842455.db2.gz NVRGSVZGMQYVNS-VXGBXAGGSA-N 1 0 362.390 0.099 10 5 FCBERO CC(C)CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001501735615 1264143477 /nfs/dbraw/zinc/14/34/77/1264143477.db2.gz SPBYTIVESQEZKK-ZIAGYGMSSA-N 1 0 352.435 0.348 10 5 FCBERO [NH3+]CC1(CCNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001326873943 1265187631 /nfs/dbraw/zinc/18/76/31/1265187631.db2.gz CCUMNRGTWXONTP-UHFFFAOYSA-N 1 0 364.406 0.200 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC001327601451 1265370240 /nfs/dbraw/zinc/37/02/40/1265370240.db2.gz LBOHASVOYOIFIL-UHFFFAOYSA-N 1 0 366.422 0.207 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC001530691104 1267113143 /nfs/dbraw/zinc/11/31/43/1267113143.db2.gz LRYOPDKNDTXAAG-UHFFFAOYSA-N 1 0 360.374 0.899 10 5 FCBERO C[NH+](C)CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccnc1 ZINC001538333917 1267402339 /nfs/dbraw/zinc/40/23/39/1267402339.db2.gz BWPFXOHZIUTGDT-HNNXBMFYSA-N 1 0 359.386 0.961 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC001544900744 1267597768 /nfs/dbraw/zinc/59/77/68/1267597768.db2.gz WKCFUJNVTGDRCI-UHFFFAOYSA-N 1 0 366.422 0.341 10 5 FCBERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198650 1269054684 /nfs/dbraw/zinc/05/46/84/1269054684.db2.gz WJGTVZWVKADCIW-CABCVRRESA-N 1 0 357.374 0.879 10 5 FCBERO CNS(=O)(=O)c1ccc(N2CC([NH2+][C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001559290493 1269166015 /nfs/dbraw/zinc/16/60/15/1269166015.db2.gz PPKLKINGLFCFPR-JTQLQIEISA-N 1 0 356.404 0.070 10 5 FCBERO CCOC(=O)[C@@]1(F)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC001560134263 1269191466 /nfs/dbraw/zinc/19/14/66/1269191466.db2.gz AEIMMZWQAYZBQN-NJZAAPMLSA-N 1 0 358.370 0.765 10 5 FCBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001565692010 1269489290 /nfs/dbraw/zinc/48/92/90/1269489290.db2.gz UAVZEWUQNJXXMT-JTQLQIEISA-N 1 0 356.404 0.314 10 5 FCBERO Cc1csc(NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001568847944 1269751075 /nfs/dbraw/zinc/75/10/75/1269751075.db2.gz BXCMWRXLHDCECD-WUNPDAOYSA-N 1 0 353.404 0.317 10 5 FCBERO O=C(NC[C@H]1CC[C@H](C[NH2+]CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001569863016 1269811042 /nfs/dbraw/zinc/81/10/42/1269811042.db2.gz VSPYDFMXVRGKOS-KLHDSHLOSA-N 1 0 366.462 0.786 10 5 FCBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1(C)C ZINC001570615685 1269904168 /nfs/dbraw/zinc/90/41/68/1269904168.db2.gz FJKBUQVJEDDXTH-STQMWFEESA-N 1 0 370.431 0.701 10 5 FCBERO CC(C)(C)NC(=O)NCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001715094632 1287344883 /nfs/dbraw/zinc/34/48/83/1287344883.db2.gz ISBMLQLPDAQABL-CHWSQXEVSA-N 1 0 369.466 0.768 10 5 FCBERO CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001585303918 1282221030 /nfs/dbraw/zinc/22/10/30/1282221030.db2.gz SFTBQLMHOLLTLI-LXTVHRRPSA-N 1 0 352.435 0.585 10 5 FCBERO C[NH+](C)C1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC001633180607 1282233875 /nfs/dbraw/zinc/23/38/75/1282233875.db2.gz JFSMNBUPCZHNGI-UHFFFAOYSA-N 1 0 370.431 0.474 10 5 FCBERO C[N@H+](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[C@H]1O ZINC001634313509 1282320325 /nfs/dbraw/zinc/32/03/25/1282320325.db2.gz MAJNMORCOBOCBI-BPLDGKMQSA-N 1 0 363.418 0.848 10 5 FCBERO C[NH+]1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001587634882 1282370094 /nfs/dbraw/zinc/37/00/94/1282370094.db2.gz ZCWNIPXNIAQWCT-UHFFFAOYSA-N 1 0 373.413 0.885 10 5 FCBERO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c(C)c1[N+](=O)[O-] ZINC001635298343 1282393031 /nfs/dbraw/zinc/39/30/31/1282393031.db2.gz XUCJWRJINMTNNW-ZDUSSCGKSA-N 1 0 353.423 0.760 10 5 FCBERO O=C(NCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001635687859 1282425940 /nfs/dbraw/zinc/42/59/40/1282425940.db2.gz LCTKQYWOQVHOHE-UHFFFAOYSA-N 1 0 369.443 0.866 10 5 FCBERO C[NH+](C)CCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001637578542 1282606912 /nfs/dbraw/zinc/60/69/12/1282606912.db2.gz AFLRUVZQWLFRQF-LBPRGKRZSA-N 1 0 368.390 0.487 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N[C@@H]2C[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001639135123 1282751713 /nfs/dbraw/zinc/75/17/13/1282751713.db2.gz FEYCXDQAVOJLIK-CQSZACIVSA-N 1 0 364.402 0.790 10 5 FCBERO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001639365045 1282774611 /nfs/dbraw/zinc/77/46/11/1282774611.db2.gz MDGIHWBOODSGSR-LLVKDONJSA-N 1 0 358.358 0.378 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)C[C@@H]2C1 ZINC001639620482 1282798158 /nfs/dbraw/zinc/79/81/58/1282798158.db2.gz QXKQYOYOBYCMBK-NEPJUHHUSA-N 1 0 357.374 0.594 10 5 FCBERO COc1cc(OCC(=O)N[C@@H](CO)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001641852907 1282976339 /nfs/dbraw/zinc/97/63/39/1282976339.db2.gz QQNYXWYLQSJPQT-GFCCVEGCSA-N 1 0 353.375 0.555 10 5 FCBERO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001642403045 1283004551 /nfs/dbraw/zinc/00/45/51/1283004551.db2.gz QBLKJXVRWPTXBD-UHFFFAOYSA-N 1 0 366.418 0.356 10 5 FCBERO O=C(NC1(CO)CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001725018123 1288458711 /nfs/dbraw/zinc/45/87/11/1288458711.db2.gz WHMPLINOQPQGDI-HUUCEWRRSA-N 1 0 351.378 0.934 10 5 FCBERO C[N@H+](CC(=O)Nc1cnccn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001725422179 1288467125 /nfs/dbraw/zinc/46/71/25/1288467125.db2.gz PNMVWPFHSWLOEV-CHWSQXEVSA-N 1 0 362.390 0.003 10 5 FCBERO CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001701158265 1289634310 /nfs/dbraw/zinc/63/43/10/1289634310.db2.gz QPRNFMKAPVGHPA-ZIAGYGMSSA-N 1 0 354.451 0.594 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC001618398648 1289902552 /nfs/dbraw/zinc/90/25/52/1289902552.db2.gz XAIAYOGWFIEQCJ-ZDUSSCGKSA-N 1 0 362.386 0.921 10 5 FCBERO C[NH+](C)CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001621639959 1290046529 /nfs/dbraw/zinc/04/65/29/1290046529.db2.gz XUHNWVCJVLHLKI-ZDUSSCGKSA-N 1 0 363.480 0.789 10 5 FCBERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001626362908 1290393062 /nfs/dbraw/zinc/39/30/62/1290393062.db2.gz DXEOQMSAQGQBFK-SNVBAGLBSA-N 1 0 356.404 0.314 10 5 FCBERO CN(CC(=O)NC[C@H]1CC[N@@H+]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001626482313 1290399719 /nfs/dbraw/zinc/39/97/19/1290399719.db2.gz UDCNGHUBMIZFFS-GFCCVEGCSA-N 1 0 356.404 0.036 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001628956004 1290565142 /nfs/dbraw/zinc/56/51/42/1290565142.db2.gz SORPZNZDEXKOOZ-UHFFFAOYSA-N 1 0 366.422 0.016 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001653229655 1291328084 /nfs/dbraw/zinc/32/80/84/1291328084.db2.gz GZUKBOMZWVZJTP-LBPRGKRZSA-N 1 0 368.415 0.314 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC001668822499 1291975388 /nfs/dbraw/zinc/97/53/88/1291975388.db2.gz YXVLNYIAHRICPV-LEINQQNWSA-N 1 0 368.340 0.831 10 5 FCBERO CCN(CC)C(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001675688903 1292181951 /nfs/dbraw/zinc/18/19/51/1292181951.db2.gz SCONSEJITAIXHS-DTDBQYNISA-N 1 0 366.462 0.690 10 5 FCBERO CC1(C)CC[N@H+](CC(=O)N(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)C1 ZINC001687825105 1293017080 /nfs/dbraw/zinc/01/70/80/1293017080.db2.gz RYJBMMZWDAJLHD-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO C[NH+](C)C(C)(C)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001135262313 849195590 /nfs/dbraw/zinc/19/55/90/849195590.db2.gz QRPCDUFSOCUJPI-UHFFFAOYSA-N 1 0 358.420 0.330 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N2CC([NH2+][C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001164234042 850398352 /nfs/dbraw/zinc/39/83/52/850398352.db2.gz HHEYTVYWXOBGPX-LLVKDONJSA-N 1 0 370.431 0.412 10 5 FCBERO C[N@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)CCOCCO ZINC001175823705 850774030 /nfs/dbraw/zinc/77/40/30/850774030.db2.gz XTYJXERQQMTBRX-UHFFFAOYSA-N 1 0 350.375 0.747 10 5 FCBERO O=C(NCC1([NH2+]CCCNC(=O)C(F)(F)F)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273084374 860368089 /nfs/dbraw/zinc/36/80/89/860368089.db2.gz LRMJQXWROVXZDB-NXEZZACHSA-N 1 0 366.340 0.349 10 5 FCBERO CN(CC(C)(C)C[NH2+]CC(=O)Nc1nncs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001275668879 861150983 /nfs/dbraw/zinc/15/09/83/861150983.db2.gz XYXOMJABQKQOLF-NXEZZACHSA-N 1 0 370.435 0.216 10 5 FCBERO COCCCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001281578927 863527210 /nfs/dbraw/zinc/52/72/10/863527210.db2.gz WMSYYVWVWPFJQG-HZPDHXFCSA-N 1 0 354.451 0.297 10 5 FCBERO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001292247997 865709450 /nfs/dbraw/zinc/70/94/50/865709450.db2.gz HJQUKAUKHOWASS-LLVKDONJSA-N 1 0 370.431 0.704 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001302833281 866358758 /nfs/dbraw/zinc/35/87/58/866358758.db2.gz RTJIXQYYONSJQV-KGLIPLIRSA-N 1 0 351.407 0.594 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCc1cccs1 ZINC001316630619 867366013 /nfs/dbraw/zinc/36/60/13/867366013.db2.gz MHRTZEDTWCFGRW-HBJVGIJOSA-N 1 0 366.443 0.514 10 5 FCBERO CCn1nncc1C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319019644 867806952 /nfs/dbraw/zinc/80/69/52/867806952.db2.gz ZDZRESPNGXDUKI-HUUCEWRRSA-N 1 0 350.423 0.682 10 5 FCBERO CC(C)NC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001319142097 867839503 /nfs/dbraw/zinc/83/95/03/867839503.db2.gz LSJOZTQBGCKOSO-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001320064343 868073174 /nfs/dbraw/zinc/07/31/74/868073174.db2.gz SCRBEWFQJHAAOI-UHFFFAOYSA-N 1 0 350.375 0.289 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000265113862 210058972 /nfs/dbraw/zinc/05/89/72/210058972.db2.gz YGSDKRQJDRIPQL-UHFFFAOYSA-N 1 0 373.431 0.993 10 5 FCBERO CS(=O)(=O)NCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000285612722 213367311 /nfs/dbraw/zinc/36/73/11/213367311.db2.gz YXZFYTCYWLFETG-HNNXBMFYSA-N 1 0 357.432 0.889 10 5 FCBERO [NH3+]CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262472998 209593290 /nfs/dbraw/zinc/59/32/90/209593290.db2.gz KRGDIBRNBMQWGX-CQSZACIVSA-N 1 0 370.431 0.603 10 5 FCBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000183666489 209150017 /nfs/dbraw/zinc/15/00/17/209150017.db2.gz WZMGXUIIWADPOK-HNNXBMFYSA-N 1 0 357.432 0.730 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000375508533 217276889 /nfs/dbraw/zinc/27/68/89/217276889.db2.gz JIXHGCSLADHCEM-UHFFFAOYSA-N 1 0 362.386 0.640 10 5 FCBERO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000419326431 246099362 /nfs/dbraw/zinc/09/93/62/246099362.db2.gz CGIWJDCRCVTPSY-ILXRZTDVSA-N 1 0 353.419 0.721 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000419346101 246109406 /nfs/dbraw/zinc/10/94/06/246109406.db2.gz UWEUKNMMXFIXBV-UONOGXRCSA-N 1 0 362.430 0.871 10 5 FCBERO COc1ccc(OCCN2CCC[C@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000440649235 248201413 /nfs/dbraw/zinc/20/14/13/248201413.db2.gz LEHHFHREROSJFV-NSHDSACASA-N 1 0 359.404 0.735 10 5 FCBERO COC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc([N+](=O)[O-])c1 ZINC000452396734 249316476 /nfs/dbraw/zinc/31/64/76/249316476.db2.gz YKRQWLYINATKAQ-AWEZNQCLSA-N 1 0 365.386 0.958 10 5 FCBERO O=C(NC[C@H]1CCCC[N@H+]1CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000453827415 249376387 /nfs/dbraw/zinc/37/63/87/249376387.db2.gz XNCVQBYWADARQB-CQSZACIVSA-N 1 0 350.375 0.496 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000468181598 249885662 /nfs/dbraw/zinc/88/56/62/249885662.db2.gz BHJWSQYYKDOCLH-HNNXBMFYSA-N 1 0 374.401 0.459 10 5 FCBERO Cc1c(C(=O)N2CC[NH+]3CCC2CC3)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000470847552 250067638 /nfs/dbraw/zinc/06/76/38/250067638.db2.gz NMKLJYVTIZEEKH-UHFFFAOYSA-N 1 0 368.415 0.471 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000266191297 210301241 /nfs/dbraw/zinc/30/12/41/210301241.db2.gz GJMPQPTZZWKRQH-NSHDSACASA-N 1 0 358.420 0.135 10 5 FCBERO CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000180303455 209094337 /nfs/dbraw/zinc/09/43/37/209094337.db2.gz OZUVEADFMSHMFK-LBPRGKRZSA-N 1 0 361.395 0.811 10 5 FCBERO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000163254016 229201641 /nfs/dbraw/zinc/20/16/41/229201641.db2.gz AZYMPZVBEZYXKP-HNNXBMFYSA-N 1 0 371.459 0.904 10 5 FCBERO C[NH+](C)CCn1cc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cn1 ZINC000302150715 488887469 /nfs/dbraw/zinc/88/74/69/488887469.db2.gz UBHYQHCJKSCCKS-UHFFFAOYSA-N 1 0 354.392 0.744 10 5 FCBERO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000190910186 488418497 /nfs/dbraw/zinc/41/84/97/488418497.db2.gz FVINDINIOWXCAB-LLVKDONJSA-N 1 0 362.477 0.961 10 5 FCBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246777262 488475348 /nfs/dbraw/zinc/47/53/48/488475348.db2.gz SFRJDZPNRZEMAM-GOEBONIOSA-N 1 0 363.422 0.773 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000246855980 488476816 /nfs/dbraw/zinc/47/68/16/488476816.db2.gz FHXZEYIVTWCGEK-CVEARBPZSA-N 1 0 351.403 0.741 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000246948567 488478963 /nfs/dbraw/zinc/47/89/63/488478963.db2.gz RZZSMMHIMROOGR-KBPBESRZSA-N 1 0 350.419 0.945 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000249597454 488513166 /nfs/dbraw/zinc/51/31/66/488513166.db2.gz XEXSXIQNJVCBLR-CFVMTHIKSA-N 1 0 352.416 0.922 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272221209 488568612 /nfs/dbraw/zinc/56/86/12/488568612.db2.gz PTOXFJNPHFVITG-UHFFFAOYSA-N 1 0 350.375 0.643 10 5 FCBERO CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)NCC[NH+](C)C ZINC000127878496 488620674 /nfs/dbraw/zinc/62/06/74/488620674.db2.gz ZAUVNHGSLYDEBV-ZDUSSCGKSA-N 1 0 365.434 0.999 10 5 FCBERO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264021444 488643575 /nfs/dbraw/zinc/64/35/75/488643575.db2.gz OUAGSFYEXFSQOS-GFCCVEGCSA-N 1 0 350.423 0.774 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000273579222 488659814 /nfs/dbraw/zinc/65/98/14/488659814.db2.gz PCMXAUKWALGHNN-SNVBAGLBSA-N 1 0 359.404 1.000 10 5 FCBERO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277937360 488793609 /nfs/dbraw/zinc/79/36/09/488793609.db2.gz ZCFYGXPMWGYKIJ-MRVWCRGKSA-N 1 0 369.422 0.997 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000170953739 488818699 /nfs/dbraw/zinc/81/86/99/488818699.db2.gz XIKSKUNNNQSBFM-AWEZNQCLSA-N 1 0 350.423 0.420 10 5 FCBERO Cc1cc(OCC(=O)N2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000280424507 489006693 /nfs/dbraw/zinc/00/66/93/489006693.db2.gz BUKJFAUKGNVYQT-UHFFFAOYSA-N 1 0 350.419 0.988 10 5 FCBERO O=C(CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)Nc1ccccc1[N+](=O)[O-] ZINC000366118901 489147412 /nfs/dbraw/zinc/14/74/12/489147412.db2.gz AZYUCQGEYPIGND-MRXNPFEDSA-N 1 0 361.358 0.597 10 5 FCBERO COC(=O)c1cc(C)nc(N2CCN(C[C@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286722382 489421125 /nfs/dbraw/zinc/42/11/25/489421125.db2.gz FBYCXVXBOVFVJQ-RYUDHWBXSA-N 1 0 352.391 0.976 10 5 FCBERO COC(=O)c1cc(C)nc(N2CCN(C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286722380 489421408 /nfs/dbraw/zinc/42/14/08/489421408.db2.gz FBYCXVXBOVFVJQ-NWDGAFQWSA-N 1 0 352.391 0.976 10 5 FCBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000415746810 489549504 /nfs/dbraw/zinc/54/95/04/489549504.db2.gz PBLZWPOUXMLIER-UWVGGRQHSA-N 1 0 364.358 0.643 10 5 FCBERO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428950305 489668388 /nfs/dbraw/zinc/66/83/88/489668388.db2.gz DQSWTSXVNAGJHF-QGZVFWFLSA-N 1 0 374.401 0.282 10 5 FCBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020300 489675985 /nfs/dbraw/zinc/67/59/85/489675985.db2.gz NBVUNYIUWMKYCR-FZMZJTMJSA-N 1 0 370.431 0.666 10 5 FCBERO COc1c[nH+]ccc1N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000478488872 490022115 /nfs/dbraw/zinc/02/21/15/490022115.db2.gz KQHOXRPWPWJNKX-UHFFFAOYSA-N 1 0 360.374 0.934 10 5 FCBERO C[NH+](C)C[C@@H]1CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000464927696 490073127 /nfs/dbraw/zinc/07/31/27/490073127.db2.gz SHGLJFGUUANOTJ-HNNXBMFYSA-N 1 0 363.418 0.947 10 5 FCBERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000421386570 490077767 /nfs/dbraw/zinc/07/77/67/490077767.db2.gz HIKAHWPENYJAFB-LBPRGKRZSA-N 1 0 351.359 0.715 10 5 FCBERO CCO[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405627044 490185305 /nfs/dbraw/zinc/18/53/05/490185305.db2.gz XTQWMGMKKHUBAS-ZWNOBZJWSA-N 1 0 359.404 0.588 10 5 FCBERO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000521116263 490226303 /nfs/dbraw/zinc/22/63/03/490226303.db2.gz VOZJYYGTZRZIOQ-NWDGAFQWSA-N 1 0 350.375 0.860 10 5 FCBERO C[C@@H]1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000571551504 491315292 /nfs/dbraw/zinc/31/52/92/491315292.db2.gz AZHYNPFVABWJIH-COXVUDFISA-N 1 0 373.413 0.931 10 5 FCBERO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000524543493 490543930 /nfs/dbraw/zinc/54/39/30/490543930.db2.gz ISOSCYMAEQVFJF-STQMWFEESA-N 1 0 354.411 0.440 10 5 FCBERO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000564957524 491340281 /nfs/dbraw/zinc/34/02/81/491340281.db2.gz SHUSIKFFOKPABW-COPLHBTASA-N 1 0 370.431 0.600 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000511160020 490566928 /nfs/dbraw/zinc/56/69/28/490566928.db2.gz JQKUORJWAKYQGP-UHFFFAOYSA-N 1 0 364.402 0.927 10 5 FCBERO C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000564957526 491340880 /nfs/dbraw/zinc/34/08/80/491340880.db2.gz SHUSIKFFOKPABW-MISXGVKJSA-N 1 0 370.431 0.600 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000502094056 490676563 /nfs/dbraw/zinc/67/65/63/490676563.db2.gz QWYRXEXOEHOMFA-UHFFFAOYSA-N 1 0 359.390 0.405 10 5 FCBERO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000577743071 491647598 /nfs/dbraw/zinc/64/75/98/491647598.db2.gz DOUGKYFDXPITNZ-NWDGAFQWSA-N 1 0 358.416 0.890 10 5 FCBERO CC[NH+]1CCN([C@@H](C)CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000577847916 491656980 /nfs/dbraw/zinc/65/69/80/491656980.db2.gz OHATUSPHGBUZBT-ZDUSSCGKSA-N 1 0 365.434 1.523 10 5 FCBERO CC[NH+](CC)CC[C@H](CO)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000569472967 491664786 /nfs/dbraw/zinc/66/47/86/491664786.db2.gz UCUPQLJVBRLWNV-CYBMUJFWSA-N 1 0 352.391 0.742 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590442699 491776629 /nfs/dbraw/zinc/77/66/29/491776629.db2.gz ADZXFORLQOPHFK-UKRRQHHQSA-N 1 0 361.402 0.557 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590447223 491777055 /nfs/dbraw/zinc/77/70/55/491777055.db2.gz WKNRKVZXQNTUSD-TZMCWYRMSA-N 1 0 362.386 0.496 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)n1 ZINC000591986363 491826766 /nfs/dbraw/zinc/82/67/66/491826766.db2.gz UWSWIUYRQWNDMP-SNVBAGLBSA-N 1 0 351.363 0.333 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000582979768 491834879 /nfs/dbraw/zinc/83/48/79/491834879.db2.gz DPHAZIFKAXVIFW-CABCVRRESA-N 1 0 374.401 0.186 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN(C)CCC[NH+](C)C ZINC000595124614 491885877 /nfs/dbraw/zinc/88/58/77/491885877.db2.gz IASRWQPSVLVAGD-UHFFFAOYSA-N 1 0 365.434 0.841 10 5 FCBERO O=C(N1CC[NH2+]CC1)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000600715507 491878442 /nfs/dbraw/zinc/87/84/42/491878442.db2.gz ZIVGTTRQLNBLQX-UHFFFAOYSA-N 1 0 363.418 0.616 10 5 FCBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595278145 491911516 /nfs/dbraw/zinc/91/15/16/491911516.db2.gz DPEIZOCTUTXLQR-UHFFFAOYSA-N 1 0 360.414 0.902 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc1 ZINC000595384425 491926351 /nfs/dbraw/zinc/92/63/51/491926351.db2.gz KVNHXVMCFKUOLV-CYBMUJFWSA-N 1 0 356.404 0.210 10 5 FCBERO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595384890 491926677 /nfs/dbraw/zinc/92/66/77/491926677.db2.gz PMUIBAXPUQINRR-INIZCTEOSA-N 1 0 369.443 0.956 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862816 491957347 /nfs/dbraw/zinc/95/73/47/491957347.db2.gz HCUSEIRCTITRJU-JKSUJKDBSA-N 1 0 365.430 0.866 10 5 FCBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@H]4CNCCO4)CC3)nc2c1 ZINC000595891434 491959587 /nfs/dbraw/zinc/95/95/87/491959587.db2.gz HYNDJKDLADLHFN-CQSZACIVSA-N 1 0 360.418 0.972 10 5 FCBERO COC(=O)COc1ccc(CN2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000596108140 491975754 /nfs/dbraw/zinc/97/57/54/491975754.db2.gz VOSVNIDSWIZUJA-UHFFFAOYSA-N 1 0 351.359 0.321 10 5 FCBERO Nc1nccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000597989956 492076285 /nfs/dbraw/zinc/07/62/85/492076285.db2.gz IQFGVVWBALGIPL-CQSZACIVSA-N 1 0 371.397 1.069 10 5 FCBERO CN(CCC[NH+](C)C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597989764 492076543 /nfs/dbraw/zinc/07/65/43/492076543.db2.gz JZXSBZQQFIINKU-UHFFFAOYSA-N 1 0 366.418 0.979 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000599099001 492135413 /nfs/dbraw/zinc/13/54/13/492135413.db2.gz DZWQBPSWGONUSI-LBPRGKRZSA-N 1 0 357.436 0.729 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000599108662 492135973 /nfs/dbraw/zinc/13/59/73/492135973.db2.gz PGGKNZLJJHHEQY-RYUDHWBXSA-N 1 0 357.436 0.729 10 5 FCBERO C[NH+](C)CCNC(=O)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000609163351 492199158 /nfs/dbraw/zinc/19/91/58/492199158.db2.gz CVELBYLBPPXGLH-UHFFFAOYSA-N 1 0 361.362 0.116 10 5 FCBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1(C[NH3+])CCOCC1 ZINC000599897096 492215455 /nfs/dbraw/zinc/21/54/55/492215455.db2.gz FYUWDMLPVRYVES-UHFFFAOYSA-N 1 0 350.375 0.774 10 5 FCBERO COc1ccc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000599900638 492216351 /nfs/dbraw/zinc/21/63/51/492216351.db2.gz SQZABILPRNAAED-CALCHBBNSA-N 1 0 362.386 1.000 10 5 FCBERO C[C@H]1CC[C@@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599916787 492217344 /nfs/dbraw/zinc/21/73/44/492217344.db2.gz DNDYTKGYPNXRGP-NWDGAFQWSA-N 1 0 370.431 0.808 10 5 FCBERO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369550 492243331 /nfs/dbraw/zinc/24/33/31/492243331.db2.gz SXQYLHQLIMQXSV-UKRRQHHQSA-N 1 0 351.407 0.487 10 5 FCBERO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426162 492245096 /nfs/dbraw/zinc/24/50/96/492245096.db2.gz BNABBPKOQKRCSW-JTQLQIEISA-N 1 0 356.404 0.375 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000619873728 492280534 /nfs/dbraw/zinc/28/05/34/492280534.db2.gz SEBGKPQOTWJHAG-CQSZACIVSA-N 1 0 370.413 0.900 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000592390249 546949378 /nfs/dbraw/zinc/94/93/78/546949378.db2.gz LNBFYOHJOYTOGW-ZDUSSCGKSA-N 1 0 369.399 0.802 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1=O ZINC000593234367 546964184 /nfs/dbraw/zinc/96/41/84/546964184.db2.gz GGESXQKKNGAWNX-UHFFFAOYSA-N 1 0 366.443 0.919 10 5 FCBERO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1 ZINC000593551756 546973921 /nfs/dbraw/zinc/97/39/21/546973921.db2.gz DPHRUFNFBCWSRH-GFCCVEGCSA-N 1 0 357.436 0.152 10 5 FCBERO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593555355 546974899 /nfs/dbraw/zinc/97/48/99/546974899.db2.gz ZZMRQZOISNSQAI-UHFFFAOYSA-N 1 0 358.420 0.457 10 5 FCBERO Cc1nccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)n1 ZINC000593576427 546978221 /nfs/dbraw/zinc/97/82/21/546978221.db2.gz QLTFEMOIAWDZFE-UHFFFAOYSA-N 1 0 364.387 0.599 10 5 FCBERO CCO[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593729760 546990434 /nfs/dbraw/zinc/99/04/34/546990434.db2.gz ACEJIDHQQOQUES-UKRRQHHQSA-N 1 0 357.432 0.763 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593919000 546994997 /nfs/dbraw/zinc/99/49/97/546994997.db2.gz LQBDWCLRIYMMNO-MGPQQGTHSA-N 1 0 351.407 0.987 10 5 FCBERO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000594450702 546998987 /nfs/dbraw/zinc/99/89/87/546998987.db2.gz RIAHDVOHFAGRAU-VXNVDRBHSA-N 1 0 364.280 0.798 10 5 FCBERO [NH3+]C[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000594450607 546999318 /nfs/dbraw/zinc/99/93/18/546999318.db2.gz GYGFXRDTHUBMLK-QMMMGPOBSA-N 1 0 368.699 0.984 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594474564 547000166 /nfs/dbraw/zinc/00/01/66/547000166.db2.gz IWMQLUVQJYEHBZ-PHIMTYICSA-N 1 0 371.415 0.985 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594803936 547012800 /nfs/dbraw/zinc/01/28/00/547012800.db2.gz RSVIYZOUJKRVNW-LBPRGKRZSA-N 1 0 359.452 0.540 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923307369 667823203 /nfs/dbraw/zinc/82/32/03/667823203.db2.gz VHQDXCASGSSCBT-GFCCVEGCSA-N 1 0 366.443 0.793 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778221480 668356522 /nfs/dbraw/zinc/35/65/22/668356522.db2.gz OCDMJZIVPAQKJL-UHFFFAOYSA-N 1 0 364.431 0.919 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000825610350 669461942 /nfs/dbraw/zinc/46/19/42/669461942.db2.gz DHSQKNWHUAIUQY-UHFFFAOYSA-N 1 0 351.319 0.007 10 5 FCBERO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842895590 670752886 /nfs/dbraw/zinc/75/28/86/670752886.db2.gz YQTPYVXTQDEBDZ-SNVBAGLBSA-N 1 0 351.331 0.879 10 5 FCBERO CN(C)c1cc(F)c(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000848306399 671266533 /nfs/dbraw/zinc/26/65/33/671266533.db2.gz RLMGHPQIAIDXOU-WDEREUQCSA-N 1 0 352.366 0.691 10 5 FCBERO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000852592911 671514433 /nfs/dbraw/zinc/51/44/33/671514433.db2.gz DBBANHLAVVYEHV-XQLPTFJDSA-N 1 0 356.400 0.372 10 5 FCBERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000117325755 671877475 /nfs/dbraw/zinc/87/74/75/671877475.db2.gz LDQQLCBALIXKBE-INIZCTEOSA-N 1 0 352.439 0.476 10 5 FCBERO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000123143625 672493693 /nfs/dbraw/zinc/49/36/93/672493693.db2.gz PDRLAIRTLIHECX-SSDOTTSWSA-N 1 0 350.194 0.998 10 5 FCBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052072 1192871316 /nfs/dbraw/zinc/87/13/16/1192871316.db2.gz MQTDTYXYGWHULU-ZDUSSCGKSA-N 1 0 363.418 0.628 10 5 FCBERO Cc1ccc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(F)c1 ZINC001269411415 1187847180 /nfs/dbraw/zinc/84/71/80/1187847180.db2.gz GKOSZQSHBHMXND-BXUZGUMPSA-N 1 0 364.377 0.976 10 5 FCBERO Cn1c(=O)oc2ccc(C[NH2+]C3(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)cc21 ZINC001269411734 1187847319 /nfs/dbraw/zinc/84/73/19/1187847319.db2.gz RBJRPXDKZLIWKN-VXGBXAGGSA-N 1 0 360.370 0.535 10 5 FCBERO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393811 1196718921 /nfs/dbraw/zinc/71/89/21/1196718921.db2.gz QUPNPMPCSBHPMB-NWDGAFQWSA-N 1 0 358.354 0.740 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592878069 1196740174 /nfs/dbraw/zinc/74/01/74/1196740174.db2.gz CUPBPVBVHPGNDE-SNVBAGLBSA-N 1 0 360.374 0.663 10 5 FCBERO CCO[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1C[NH3+] ZINC000593916643 1196839706 /nfs/dbraw/zinc/83/97/06/1196839706.db2.gz MIYWRHPFGKRIPU-IAQYHMDHSA-N 1 0 360.374 0.611 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773528987 1206308354 /nfs/dbraw/zinc/30/83/54/1206308354.db2.gz HTPRUNLFVCIJCC-SUMWQHHRSA-N 1 0 373.413 0.594 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001176965502 1206326047 /nfs/dbraw/zinc/32/60/47/1206326047.db2.gz NOBCBTCXCJCKCL-OLZOCXBDSA-N 1 0 365.386 0.816 10 5 FCBERO C[NH+](C)C[C@@H](CO)NC(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC000854468257 1209629712 /nfs/dbraw/zinc/62/97/12/1209629712.db2.gz PPHSVANYHRMELJ-VIFPVBQESA-N 1 0 372.328 0.072 10 5 FCBERO C[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322235 1209938800 /nfs/dbraw/zinc/93/88/00/1209938800.db2.gz CEVDUBFMXOGBFM-GSJFWJNXSA-N 1 0 361.358 0.517 10 5 FCBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000863577133 1209945666 /nfs/dbraw/zinc/94/56/66/1209945666.db2.gz YIEQPJCRZBONTI-UKRRQHHQSA-N 1 0 369.385 0.934 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]2C1 ZINC000794928580 1209998280 /nfs/dbraw/zinc/99/82/80/1209998280.db2.gz JCGFWAMPYKBFKH-QAPCUYQASA-N 1 0 373.457 0.879 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000834569965 1222579442 /nfs/dbraw/zinc/57/94/42/1222579442.db2.gz WSGDKRDIUZWDPS-KRWDZBQOSA-N 1 0 361.402 0.860 10 5 FCBERO CC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001335570926 1259721427 /nfs/dbraw/zinc/72/14/27/1259721427.db2.gz XCDRNXZLWUGRKV-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001261876874 1260206464 /nfs/dbraw/zinc/20/64/64/1260206464.db2.gz RKTOUKYJRUHNSN-GOEBONIOSA-N 1 0 360.414 0.949 10 5 FCBERO COC1(OC)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC001473751679 1261494010 /nfs/dbraw/zinc/49/40/10/1261494010.db2.gz KVFZETNDALSBBG-WFASDCNBSA-N 1 0 356.375 0.390 10 5 FCBERO C[NH+]1CCN(C2CN(C(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)C2)CC1 ZINC001297229284 1262855893 /nfs/dbraw/zinc/85/58/93/1262855893.db2.gz USYRVDNIQWPCOY-UHFFFAOYSA-N 1 0 371.401 0.247 10 5 FCBERO CN(C)C(=O)c1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001483463954 1263443532 /nfs/dbraw/zinc/44/35/32/1263443532.db2.gz BHORCKCVUGOVAG-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO CN(CCC[NH2+]CC(=O)Nc1ccc(O)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483463918 1263443600 /nfs/dbraw/zinc/44/36/00/1263443600.db2.gz ALGRXYSVEFWFCE-ZIAGYGMSSA-N 1 0 350.375 0.434 10 5 FCBERO COc1cccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001493545646 1263725645 /nfs/dbraw/zinc/72/56/45/1263725645.db2.gz PDDVDWXHJFEYRE-ZIAGYGMSSA-N 1 0 350.375 0.347 10 5 FCBERO Cn1nc(C(F)(F)F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497584304 1263941562 /nfs/dbraw/zinc/94/15/62/1263941562.db2.gz POHHFLJFCRTVTR-WUNPDAOYSA-N 1 0 361.324 0.866 10 5 FCBERO CN(CC1CCCCC1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001499221829 1264015846 /nfs/dbraw/zinc/01/58/46/1264015846.db2.gz UHLKBFKKYCWTFG-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO CN(CCC1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001500696615 1264080975 /nfs/dbraw/zinc/08/09/75/1264080975.db2.gz REXQHLWPJMOAIC-HUUCEWRRSA-N 1 0 354.451 0.690 10 5 FCBERO CN(C(=O)C[N@H+](C)C1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001510139446 1264482349 /nfs/dbraw/zinc/48/23/49/1264482349.db2.gz JRCGQLSIYRCDMS-HUUCEWRRSA-N 1 0 352.435 0.585 10 5 FCBERO C[N@H+](CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001512553576 1264631887 /nfs/dbraw/zinc/63/18/87/1264631887.db2.gz VCCXPEVOHVCFPC-HZPDHXFCSA-N 1 0 364.446 0.801 10 5 FCBERO O=C(NC1(C[NH2+]Cc2cc3n(n2)CCC3)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327635729 1265381310 /nfs/dbraw/zinc/38/13/10/1265381310.db2.gz VRZFDODUMZNZMA-HUUCEWRRSA-N 1 0 363.418 0.250 10 5 FCBERO CC[NH+]1CCN(c2cc(N(C)C(=O)Cn3cncn3)cc([N+](=O)[O-])c2)CC1 ZINC001535167469 1267283469 /nfs/dbraw/zinc/28/34/69/1267283469.db2.gz YWBCLVRGGFCTRF-UHFFFAOYSA-N 1 0 373.417 0.991 10 5 FCBERO COC(=O)N(C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001538432838 1267405242 /nfs/dbraw/zinc/40/52/42/1267405242.db2.gz UKJHYVRIKSUAPY-UHFFFAOYSA-N 1 0 365.390 0.983 10 5 FCBERO CC(C)[N@H+](C)CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001540732222 1267461423 /nfs/dbraw/zinc/46/14/23/1267461423.db2.gz QTRXREYAZDBINI-UHFFFAOYSA-N 1 0 372.447 0.720 10 5 FCBERO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001544139212 1267570535 /nfs/dbraw/zinc/57/05/35/1267570535.db2.gz KBQQMBNASBFWAE-HZMBPMFUSA-N 1 0 351.363 0.867 10 5 FCBERO C[NH+](C)CC1(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001556137189 1268817944 /nfs/dbraw/zinc/81/79/44/1268817944.db2.gz HWVIIKCGSAJFSU-UHFFFAOYSA-N 1 0 355.416 0.827 10 5 FCBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001559254873 1269164844 /nfs/dbraw/zinc/16/48/44/1269164844.db2.gz ZUOLYZVTALYNSR-JTQLQIEISA-N 1 0 358.420 0.499 10 5 FCBERO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001559500594 1269171098 /nfs/dbraw/zinc/17/10/98/1269171098.db2.gz GLZGAAOWEUMVES-TZMCWYRMSA-N 1 0 353.423 0.963 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC001560203684 1269196398 /nfs/dbraw/zinc/19/63/98/1269196398.db2.gz IXYLKIAVGPANOQ-GOEBONIOSA-N 1 0 354.407 0.670 10 5 FCBERO C[NH+]1CCC(O)(CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001566039014 1269568111 /nfs/dbraw/zinc/56/81/11/1269568111.db2.gz MPFVOTSXNUFTIZ-UHFFFAOYSA-N 1 0 374.401 0.421 10 5 FCBERO Cc1ccc(CN(C)C(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001569400693 1269781612 /nfs/dbraw/zinc/78/16/12/1269781612.db2.gz VBNWSRVCBYEABE-ZIAGYGMSSA-N 1 0 364.402 0.450 10 5 FCBERO Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)on1 ZINC001570103974 1269838936 /nfs/dbraw/zinc/83/89/36/1269838936.db2.gz ONIHYWAVVVHXHY-GHMZBOCLSA-N 1 0 351.363 0.215 10 5 FCBERO CC(C)N(C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C(C)C ZINC001571114067 1269926126 /nfs/dbraw/zinc/92/61/26/1269926126.db2.gz ZUOZOKZNZZTTFO-KBUPBQIOSA-N 1 0 354.451 0.781 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC001715815058 1287362133 /nfs/dbraw/zinc/36/21/33/1287362133.db2.gz NEUTWOWIELYCLC-GEYXIOIISA-N 1 0 368.340 0.831 10 5 FCBERO CCc1noc(C)c1C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717350957 1287419707 /nfs/dbraw/zinc/41/97/07/1287419707.db2.gz XROFPVQSJQBMKI-IUODEOHRSA-N 1 0 366.418 0.654 10 5 FCBERO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403852 1282243738 /nfs/dbraw/zinc/24/37/38/1282243738.db2.gz NJXJXYGRPHPFPR-XJKSGUPXSA-N 1 0 350.419 0.770 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001588016520 1282396156 /nfs/dbraw/zinc/39/61/56/1282396156.db2.gz IXJUBXMPPWPYET-CABCVRRESA-N 1 0 364.402 0.251 10 5 FCBERO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635941443 1282443090 /nfs/dbraw/zinc/44/30/90/1282443090.db2.gz LTKZCXLWISYVAH-GFCCVEGCSA-N 1 0 357.370 0.983 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001636277788 1282478934 /nfs/dbraw/zinc/47/89/34/1282478934.db2.gz BWBIYXWFJLUMII-KRWDZBQOSA-N 1 0 359.386 0.919 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001637276954 1282583522 /nfs/dbraw/zinc/58/35/22/1282583522.db2.gz YVXOBTTXYVILEM-UHFFFAOYSA-N 1 0 351.407 0.631 10 5 FCBERO Cc1nc(C)n(CC[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001732292546 1288580799 /nfs/dbraw/zinc/58/07/99/1288580799.db2.gz ORNDMJRWESQALL-HZPDHXFCSA-N 1 0 364.450 0.778 10 5 FCBERO COCCOCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001733290162 1288607674 /nfs/dbraw/zinc/60/76/74/1288607674.db2.gz CYOXRQKJXYMXPJ-HUUCEWRRSA-N 1 0 355.435 0.629 10 5 FCBERO CC(C)(C)CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001733574579 1288619031 /nfs/dbraw/zinc/61/90/31/1288619031.db2.gz YVAZTIIVWCWMMZ-LXTVHRRPSA-N 1 0 366.462 0.594 10 5 FCBERO Cn1nncc1C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733569725 1288619226 /nfs/dbraw/zinc/61/92/26/1288619226.db2.gz HNNOFQMQHGQZQW-HZPDHXFCSA-N 1 0 358.402 0.599 10 5 FCBERO CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733565270 1288619978 /nfs/dbraw/zinc/61/99/78/1288619978.db2.gz OHRFIWVXBUVZCX-AAVRWANBSA-N 1 0 361.464 0.208 10 5 FCBERO CC[N@@H+](CC(=O)N(C)C1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700339999 1289593075 /nfs/dbraw/zinc/59/30/75/1289593075.db2.gz GONMPYUHVXVJFW-HZPDHXFCSA-N 1 0 366.462 0.833 10 5 FCBERO CC[C@@H](C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001611481993 1289651334 /nfs/dbraw/zinc/65/13/34/1289651334.db2.gz NSJPAOGCFZUXAV-GFCCVEGCSA-N 1 0 372.447 0.720 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001615039148 1289751249 /nfs/dbraw/zinc/75/12/49/1289751249.db2.gz OWOQFNXEFPHRCH-UHFFFAOYSA-N 1 0 372.813 0.644 10 5 FCBERO C[NH+]1CCC(NC(=O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001615972179 1289767149 /nfs/dbraw/zinc/76/71/49/1289767149.db2.gz WXTYVPSNSXRXOO-CQSZACIVSA-N 1 0 362.434 0.686 10 5 FCBERO C[C@@]12C[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@]1(C)C(=O)NC2=O ZINC001620488421 1289992636 /nfs/dbraw/zinc/99/26/36/1289992636.db2.gz YJCRCWJHZUKQTF-ROUUACIJSA-N 1 0 372.381 0.469 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001624952951 1290309155 /nfs/dbraw/zinc/30/91/55/1290309155.db2.gz WVXSKHNANGBTBE-UHFFFAOYSA-N 1 0 373.417 0.563 10 5 FCBERO Cn1nc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])ccc1=O ZINC001626846124 1290420866 /nfs/dbraw/zinc/42/08/66/1290420866.db2.gz LVOSPDIQRYDBAZ-UHFFFAOYSA-N 1 0 372.385 0.693 10 5 FCBERO C[NH+]1CCC(N2CC[C@H](NC(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C2)CC1 ZINC001627583907 1290470390 /nfs/dbraw/zinc/47/03/90/1290470390.db2.gz RMBNCCCPEUBGTB-VIFPVBQESA-N 1 0 356.814 0.870 10 5 FCBERO C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1C[N@H+](C)CCN1C ZINC001628390694 1290531224 /nfs/dbraw/zinc/53/12/24/1290531224.db2.gz XUIBHJQKPGUZQO-BLLLJJGKSA-N 1 0 373.417 0.540 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001628975015 1290566286 /nfs/dbraw/zinc/56/62/86/1290566286.db2.gz KVHHDQSQTGEQFI-LLVKDONJSA-N 1 0 367.381 0.668 10 5 FCBERO O=C(C[NH+]1CCCC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001631565686 1290739538 /nfs/dbraw/zinc/73/95/38/1290739538.db2.gz HBTHXFHZVXVBKN-UHFFFAOYSA-N 1 0 356.404 0.085 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001643209014 1290860871 /nfs/dbraw/zinc/86/08/71/1290860871.db2.gz UXYZBQGQCLVBCB-RDJZCZTQSA-N 1 0 362.386 0.613 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001643209015 1290861691 /nfs/dbraw/zinc/86/16/91/1290861691.db2.gz UXYZBQGQCLVBCB-WBVHZDCISA-N 1 0 362.386 0.613 10 5 FCBERO CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001643510266 1290901030 /nfs/dbraw/zinc/90/10/30/1290901030.db2.gz CNGKVIGNTMDQMA-GFCCVEGCSA-N 1 0 350.375 0.544 10 5 FCBERO C[N@@H+]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC001643885961 1290923291 /nfs/dbraw/zinc/92/32/91/1290923291.db2.gz MRRPSCXNWOVPIQ-ZDUSSCGKSA-N 1 0 350.375 0.501 10 5 FCBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676605 1290970888 /nfs/dbraw/zinc/97/08/88/1290970888.db2.gz GPNRNSPJQYITDO-KRWDZBQOSA-N 1 0 351.403 0.743 10 5 FCBERO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001644702753 1290974807 /nfs/dbraw/zinc/97/48/07/1290974807.db2.gz QLGKTSKDEFIUQQ-OGHNNQOOSA-N 1 0 374.397 0.755 10 5 FCBERO O=C(CC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648635944 1291133562 /nfs/dbraw/zinc/13/35/62/1291133562.db2.gz WNAYULXMKKSBKL-NWDGAFQWSA-N 1 0 355.366 0.985 10 5 FCBERO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001650977216 1291190016 /nfs/dbraw/zinc/19/00/16/1291190016.db2.gz FZLNBSGYJSVWIM-CYBMUJFWSA-N 1 0 366.422 0.153 10 5 FCBERO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001652317544 1291274520 /nfs/dbraw/zinc/27/45/20/1291274520.db2.gz ASOAXYLQWTWXJK-UHFFFAOYSA-N 1 0 363.418 0.906 10 5 FCBERO CS(=O)(=O)c1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001652687523 1291291241 /nfs/dbraw/zinc/29/12/41/1291291241.db2.gz ZEIILKAFJUMJDJ-LLVKDONJSA-N 1 0 369.399 0.201 10 5 FCBERO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CC1 ZINC001653699292 1291362948 /nfs/dbraw/zinc/36/29/48/1291362948.db2.gz DWVFQFBPIICLCN-UHFFFAOYSA-N 1 0 357.374 0.881 10 5 FCBERO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC001654057285 1291390741 /nfs/dbraw/zinc/39/07/41/1291390741.db2.gz VRUIYYDOMIMQDN-QWRGUYRKSA-N 1 0 356.301 0.024 10 5 FCBERO O=C1N[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001654120757 1291394666 /nfs/dbraw/zinc/39/46/66/1291394666.db2.gz ATJKOTWEBASOBM-YNEHKIRRSA-N 1 0 351.359 0.765 10 5 FCBERO NC(=O)[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C(N)=O ZINC001654229312 1291399810 /nfs/dbraw/zinc/39/98/10/1291399810.db2.gz KINBAQJFOPTIIG-UWVGGRQHSA-N 1 0 360.292 0.632 10 5 FCBERO NC(=O)[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C(N)=O ZINC001654229311 1291399979 /nfs/dbraw/zinc/39/99/79/1291399979.db2.gz KINBAQJFOPTIIG-NXEZZACHSA-N 1 0 360.292 0.632 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC001655125314 1291456614 /nfs/dbraw/zinc/45/66/14/1291456614.db2.gz XWBZYWRCZOYZPK-MLGOLLRUSA-N 1 0 353.375 0.750 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC001655125312 1291456840 /nfs/dbraw/zinc/45/68/40/1291456840.db2.gz XWBZYWRCZOYZPK-BLLLJJGKSA-N 1 0 353.375 0.750 10 5 FCBERO CS(=O)(=O)NC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001655527841 1291471475 /nfs/dbraw/zinc/47/14/75/1291471475.db2.gz UATNQLVVIOCRHU-GFCCVEGCSA-N 1 0 370.431 0.795 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC001659506886 1291640279 /nfs/dbraw/zinc/64/02/79/1291640279.db2.gz LQTGEKOUWKZYST-ZBEGNZNMSA-N 1 0 353.375 0.750 10 5 FCBERO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001661598228 1291702088 /nfs/dbraw/zinc/70/20/88/1291702088.db2.gz OGQABUCEAMZSEA-QKPAOTATSA-N 1 0 360.414 0.547 10 5 FCBERO COc1ccc(C)cc1NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001663924032 1291773339 /nfs/dbraw/zinc/77/33/39/1291773339.db2.gz MPSBDKCRAHHXLW-TZMCWYRMSA-N 1 0 364.402 0.655 10 5 FCBERO CS(=O)(=O)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001673009734 1292097250 /nfs/dbraw/zinc/09/72/50/1292097250.db2.gz ZYBDPCVQAJJUAS-CHWSQXEVSA-N 1 0 359.448 0.011 10 5 FCBERO CCOC(=O)C1=C(C[N+]23CCN(CC2)CC3)NC(=O)N[C@@H]1c1ccco1 ZINC000030007812 717119315 /nfs/dbraw/zinc/11/93/15/717119315.db2.gz UFTUFAMSYGOUFO-MRXNPFEDSA-O 1 0 361.422 0.597 10 5 FCBERO CC[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)(C(F)(F)F)CC1 ZINC001129307367 848829832 /nfs/dbraw/zinc/82/98/32/848829832.db2.gz YJIRAIYONUDYJR-UHFFFAOYSA-N 1 0 350.301 0.719 10 5 FCBERO C[C@@H](CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001136391192 849219660 /nfs/dbraw/zinc/21/96/60/849219660.db2.gz KXUDHSYVNAXCDD-LBPRGKRZSA-N 1 0 372.447 0.577 10 5 FCBERO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001136604598 849229527 /nfs/dbraw/zinc/22/95/27/849229527.db2.gz KWFHBQCCNCIDKA-GFCCVEGCSA-N 1 0 370.431 0.799 10 5 FCBERO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC([NH2+]C2CCOCC2)C1 ZINC001187607630 851584396 /nfs/dbraw/zinc/58/43/96/851584396.db2.gz ZJWUVYYFIUCSHS-UHFFFAOYSA-N 1 0 355.416 0.956 10 5 FCBERO [NH3+]C1CCN([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001261604795 858602050 /nfs/dbraw/zinc/60/20/50/858602050.db2.gz RHCBFOHOXCUDFQ-ZDUSSCGKSA-N 1 0 355.420 0.176 10 5 FCBERO Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001263832164 859218274 /nfs/dbraw/zinc/21/82/74/859218274.db2.gz LFOLCRINPXMOTB-WRWGMCAJSA-N 1 0 351.363 0.071 10 5 FCBERO O=C(NCC1([NH2+]CCCN2CCCC2=O)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268035841 859522737 /nfs/dbraw/zinc/52/27/37/859522737.db2.gz GBQOQYGMEDCUBI-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO CCN(CC[NH2+]CC(=O)Nc1c(C)n[nH]c1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273374565 860471648 /nfs/dbraw/zinc/47/16/48/860471648.db2.gz JZTJZYCQDBHCPR-VXGBXAGGSA-N 1 0 352.395 0.068 10 5 FCBERO O=C(CCC[NH+]1CCCCC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001285924039 864655619 /nfs/dbraw/zinc/65/56/19/864655619.db2.gz SHYQRUXYGKUZRW-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO COCCC[NH+]1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001292764621 865750054 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BEANWZMITRXTMP-HUUCEWRRSA-N 1 0 354.451 0.881 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccccc1F ZINC001321056653 868353204 /nfs/dbraw/zinc/35/32/04/868353204.db2.gz IMHUNLSWZKCJTL-LAPROLRISA-N 1 0 350.350 0.691 10 5 FCBERO CN(CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322506086 868837460 /nfs/dbraw/zinc/83/74/60/868837460.db2.gz VNRJEQYNHORMSA-HUUCEWRRSA-N 1 0 369.443 0.693 10 5 FCBERO Cc1ncsc1C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001328529587 871484246 /nfs/dbraw/zinc/48/42/46/871484246.db2.gz IFQBODAVHWRCTG-VXGBXAGGSA-N 1 0 354.432 0.560 10 5 FCBERO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC001332104585 873374564 /nfs/dbraw/zinc/37/45/64/873374564.db2.gz VWIXGSLZWUUUGU-UHFFFAOYSA-N 1 0 369.447 0.390 10 5 FCBERO COc1cc(OCC(=O)N2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000265273935 210085217 /nfs/dbraw/zinc/08/52/17/210085217.db2.gz MCYXPIYNLJLFQJ-UHFFFAOYSA-N 1 0 366.418 0.688 10 5 FCBERO CNC(=O)CN1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368166174 216211178 /nfs/dbraw/zinc/21/11/78/216211178.db2.gz XWHXQXXNHVZXKE-AWEZNQCLSA-N 1 0 366.418 0.088 10 5 FCBERO CNC(=O)CN1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368166175 216211254 /nfs/dbraw/zinc/21/12/54/216211254.db2.gz XWHXQXXNHVZXKE-CQSZACIVSA-N 1 0 366.418 0.088 10 5 FCBERO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374023764 217086120 /nfs/dbraw/zinc/08/61/20/217086120.db2.gz BZBYFWWRFMRQFT-LUYZLQTOSA-N 1 0 354.407 0.811 10 5 FCBERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181922458 209124692 /nfs/dbraw/zinc/12/46/92/209124692.db2.gz XBXKJMSCMNNLSM-GJZGRUSLSA-N 1 0 353.419 0.723 10 5 FCBERO Cn1cc([C@H]2CNCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000181692628 209120803 /nfs/dbraw/zinc/12/08/03/209120803.db2.gz DVUPTLRNIVTOFP-OAHLLOKOSA-N 1 0 365.415 0.805 10 5 FCBERO CC1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]C1 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KMZZGXNIENHOSJ-UHFFFAOYSA-N 1 0 352.210 0.996 10 5 FCBERO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000090524111 208132080 /nfs/dbraw/zinc/13/20/80/208132080.db2.gz RZFNSASSCFDOLU-UHFFFAOYSA-N 1 0 361.402 0.825 10 5 FCBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000116792215 208334308 /nfs/dbraw/zinc/33/43/08/208334308.db2.gz YNONYLDCGZBFER-ZDUSSCGKSA-N 1 0 360.374 0.578 10 5 FCBERO COc1cccc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174655496 533578507 /nfs/dbraw/zinc/57/85/07/533578507.db2.gz XCBKJCWKMYLZOJ-MRXNPFEDSA-N 1 0 361.402 0.983 10 5 FCBERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000364340988 488949251 /nfs/dbraw/zinc/94/92/51/488949251.db2.gz SSMPMUBVBMHONU-KGLIPLIRSA-N 1 0 353.375 0.799 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075718679 488398838 /nfs/dbraw/zinc/39/88/38/488398838.db2.gz IMERQOZYECVXAX-RDJZCZTQSA-N 1 0 366.466 0.254 10 5 FCBERO O=C([C@H]1CCC[NH2+]1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000261693646 488531276 /nfs/dbraw/zinc/53/12/76/488531276.db2.gz ITJKBPXAJOFLMD-CQSZACIVSA-N 1 0 368.415 0.180 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262031466 488546955 /nfs/dbraw/zinc/54/69/55/488546955.db2.gz PLQYGVWZLVKRLW-GFCCVEGCSA-N 1 0 361.324 0.864 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262178182 488555610 /nfs/dbraw/zinc/55/56/10/488555610.db2.gz KUAYVOSIXCARPS-UHFFFAOYSA-N 1 0 372.385 0.284 10 5 FCBERO C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@@H]1C ZINC000124715932 488595093 /nfs/dbraw/zinc/59/50/93/488595093.db2.gz VLQKMXJXDRVJPO-NWDGAFQWSA-N 1 0 357.432 0.890 10 5 FCBERO COc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000263210860 488606364 /nfs/dbraw/zinc/60/63/64/488606364.db2.gz KGTUZEMFKUNZGA-CMPLNLGQSA-N 1 0 361.345 0.917 10 5 FCBERO Cn1cc(CN2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cn1 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/nfs/dbraw/zinc/39/38/74/489393874.db2.gz RKWZWZGMXYZYTQ-KBPBESRZSA-N 1 0 351.407 0.811 10 5 FCBERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290088 489566784 /nfs/dbraw/zinc/56/67/84/489566784.db2.gz VBGNPVJWDZLVIZ-UBHSHLNASA-N 1 0 356.379 0.195 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000416304856 489581409 /nfs/dbraw/zinc/58/14/09/489581409.db2.gz IGIDSFXFUGTIBQ-UONOGXRCSA-N 1 0 350.419 0.945 10 5 FCBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000416304854 489582050 /nfs/dbraw/zinc/58/20/50/489582050.db2.gz IGIDSFXFUGTIBQ-KBPBESRZSA-N 1 0 350.419 0.945 10 5 FCBERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000563960267 491279628 /nfs/dbraw/zinc/27/96/28/491279628.db2.gz ROLNDIQHJMUKHZ-MWLCHTKSSA-N 1 0 372.328 0.906 10 5 FCBERO COc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000405383882 490182952 /nfs/dbraw/zinc/18/29/52/490182952.db2.gz KGQDPJJYJFOXJS-WDEREUQCSA-N 1 0 351.359 0.503 10 5 FCBERO Cc1n[nH]c(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000408080946 490242992 /nfs/dbraw/zinc/24/29/92/490242992.db2.gz TTZXVFKTHVIGKV-LLVKDONJSA-N 1 0 350.423 0.867 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000468181599 490373090 /nfs/dbraw/zinc/37/30/90/490373090.db2.gz BHJWSQYYKDOCLH-OAHLLOKOSA-N 1 0 374.401 0.459 10 5 FCBERO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000512267200 490669548 /nfs/dbraw/zinc/66/95/48/490669548.db2.gz WMGOZXODBZZXRM-QWHCGFSZSA-N 1 0 359.404 0.087 10 5 FCBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557242224 491361136 /nfs/dbraw/zinc/36/11/36/491361136.db2.gz FQANJWJWHVLQSH-GOSISDBHSA-N 1 0 360.414 0.856 10 5 FCBERO COCCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000541540950 490866019 /nfs/dbraw/zinc/86/60/19/490866019.db2.gz VPIDVAQRXMOCHX-ZDUSSCGKSA-N 1 0 372.447 0.183 10 5 FCBERO 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C[N@@H+]1C[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590443468 491776603 /nfs/dbraw/zinc/77/66/03/491776603.db2.gz IWVOHQXRJOPTIY-DGCLKSJQSA-N 1 0 368.415 0.036 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000590441963 491776701 /nfs/dbraw/zinc/77/67/01/491776701.db2.gz DQJVKOMBHLUWRT-YNEHKIRRSA-N 1 0 362.386 0.955 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000590441962 491776860 /nfs/dbraw/zinc/77/68/60/491776860.db2.gz DQJVKOMBHLUWRT-XQQFMLRXSA-N 1 0 362.386 0.955 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590445000 491777044 /nfs/dbraw/zinc/77/70/44/491777044.db2.gz PJUVNJYQMAZZQY-BXUZGUMPSA-N 1 0 360.370 0.483 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000591945021 491825821 /nfs/dbraw/zinc/82/58/21/491825821.db2.gz SEHKUKQNMJUKBP-ZDUSSCGKSA-N 1 0 363.418 0.899 10 5 FCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cnn2c1CCC2 ZINC000594926663 491872619 /nfs/dbraw/zinc/87/26/19/491872619.db2.gz SEEDVEHWFTZLBU-UHFFFAOYSA-N 1 0 365.415 0.806 10 5 FCBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000595149994 491889900 /nfs/dbraw/zinc/88/99/00/491889900.db2.gz BPLNZOZTLUVTDN-UHFFFAOYSA-N 1 0 350.375 0.952 10 5 FCBERO Cc1cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601354647 491908079 /nfs/dbraw/zinc/90/80/79/491908079.db2.gz CPLBJZXMURUKQZ-SNVBAGLBSA-N 1 0 362.477 0.879 10 5 FCBERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000595256291 491908291 /nfs/dbraw/zinc/90/82/91/491908291.db2.gz LDMJHGZRRRKBHA-KBPBESRZSA-N 1 0 360.374 0.457 10 5 FCBERO O=C(NCC12CC(C1)C[NH2+]2)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595272888 491910136 /nfs/dbraw/zinc/91/01/36/491910136.db2.gz HCOUGZVMIKDCAD-UHFFFAOYSA-N 1 0 373.413 0.814 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])n1 ZINC000595384735 491926185 /nfs/dbraw/zinc/92/61/85/491926185.db2.gz LSVDUZVGZIHIRL-GFCCVEGCSA-N 1 0 373.435 0.031 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(F)c1 ZINC000595384779 491926921 /nfs/dbraw/zinc/92/69/21/491926921.db2.gz NLNKVTZXSFALLB-CYBMUJFWSA-N 1 0 373.406 0.954 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000595410575 491929421 /nfs/dbraw/zinc/92/94/21/491929421.db2.gz FIBVPQFBYJQRRB-ZDUSSCGKSA-N 1 0 371.415 1.000 10 5 FCBERO CC[C@@H]([NH2+]C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595931075 491962240 /nfs/dbraw/zinc/96/22/40/491962240.db2.gz UYQPZTLDEUONHL-CQSZACIVSA-N 1 0 370.431 0.426 10 5 FCBERO [NH3+]C1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000595929502 491962253 /nfs/dbraw/zinc/96/22/53/491962253.db2.gz KQYVUWPGCAQSFK-UHFFFAOYSA-N 1 0 368.415 0.309 10 5 FCBERO O=C1N(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCCN12 ZINC000596065888 491974284 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JOUFDGOBDRKZTI-NSHDSACASA-N 1 0 356.404 0.408 10 5 FCBERO CCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597946647 492074744 /nfs/dbraw/zinc/07/47/44/492074744.db2.gz RGNZNMIKYQGGCA-LBPRGKRZSA-N 1 0 370.431 0.426 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000597990293 492076894 /nfs/dbraw/zinc/07/68/94/492076894.db2.gz KYWJPEFSLHBOBE-INIZCTEOSA-N 1 0 359.386 0.674 10 5 FCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000598367078 492096255 /nfs/dbraw/zinc/09/62/55/492096255.db2.gz KTJQBFMGXRITJL-HUUCEWRRSA-N 1 0 363.418 0.941 10 5 FCBERO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452497 492099266 /nfs/dbraw/zinc/09/92/66/492099266.db2.gz KIABKNQVYQDLRT-ZDUSSCGKSA-N 1 0 363.370 0.995 10 5 FCBERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598535508 492103594 /nfs/dbraw/zinc/10/35/94/492103594.db2.gz DYGHTXZSFNSFBK-LBPRGKRZSA-N 1 0 352.395 0.288 10 5 FCBERO CNc1nccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598538591 492104067 /nfs/dbraw/zinc/10/40/67/492104067.db2.gz BTTSZECQIVNHFO-GFCCVEGCSA-N 1 0 351.407 1.214 10 5 FCBERO O=[N+]([O-])c1c(NCCCC[NH+]2CCOCC2)ncnc1N1CCOCC1 ZINC000598590906 492105942 /nfs/dbraw/zinc/10/59/42/492105942.db2.gz SCZNDKQXHASPPE-UHFFFAOYSA-N 1 0 366.422 0.746 10 5 FCBERO COC(=O)CCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087398 492134315 /nfs/dbraw/zinc/13/43/15/492134315.db2.gz AZANSXRSINZDFE-STQMWFEESA-N 1 0 367.406 0.934 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000599098712 492135226 /nfs/dbraw/zinc/13/52/26/492135226.db2.gz YTHJBGDECGUURV-UHFFFAOYSA-N 1 0 351.388 0.929 10 5 FCBERO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000599109053 492136374 /nfs/dbraw/zinc/13/63/74/492136374.db2.gz YZVRTBAUXKREBI-UHFFFAOYSA-N 1 0 368.415 1.000 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000599205647 492142220 /nfs/dbraw/zinc/14/22/20/492142220.db2.gz XYKINSJRAWTFBE-CYBMUJFWSA-N 1 0 367.431 0.780 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000599205648 492142306 /nfs/dbraw/zinc/14/23/06/492142306.db2.gz XYKINSJRAWTFBE-ZDUSSCGKSA-N 1 0 367.431 0.780 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000599228049 492145697 /nfs/dbraw/zinc/14/56/97/492145697.db2.gz XZCLEYNJJSJXJQ-ZDUSSCGKSA-N 1 0 367.431 0.780 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000599289291 492154991 /nfs/dbraw/zinc/15/49/91/492154991.db2.gz WZPGNLQPQJYRDJ-UHFFFAOYSA-N 1 0 367.431 0.911 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000599542622 492185593 /nfs/dbraw/zinc/18/55/93/492185593.db2.gz COQLWPMFBXMEGR-HIFRSBDPSA-N 1 0 354.407 0.406 10 5 FCBERO [NH3+]C1(CNC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOCC1 ZINC000599929253 492217733 /nfs/dbraw/zinc/21/77/33/492217733.db2.gz FCEOTRQAMSJDPC-UHFFFAOYSA-N 1 0 364.406 0.329 10 5 FCBERO [NH3+]CCCOCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599932876 492218553 /nfs/dbraw/zinc/21/85/53/492218553.db2.gz CXHGJRHHNAREJO-UHFFFAOYSA-N 1 0 351.407 0.792 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599100866 546515157 /nfs/dbraw/zinc/51/51/57/546515157.db2.gz IXRQLGFDMDPXRX-CQSZACIVSA-N 1 0 371.415 1.000 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])n1 ZINC000592104704 546944364 /nfs/dbraw/zinc/94/43/64/546944364.db2.gz UDQJEOQYHHXGPS-UHFFFAOYSA-N 1 0 373.435 0.297 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594476682 546999951 /nfs/dbraw/zinc/99/99/51/546999951.db2.gz WRXQJUMPJUGSSB-KLPPZKSPSA-N 1 0 371.415 1.000 10 5 FCBERO C[C@@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772259 547008301 /nfs/dbraw/zinc/00/83/01/547008301.db2.gz XITAYHRNQUAKNZ-LLVKDONJSA-N 1 0 358.420 0.456 10 5 FCBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762555229 667921316 /nfs/dbraw/zinc/92/13/16/667921316.db2.gz OQZIGXFPZLOVNU-CYBMUJFWSA-N 1 0 363.823 0.902 10 5 FCBERO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819313252 668996923 /nfs/dbraw/zinc/99/69/23/668996923.db2.gz ZSKHEYMWTUJPSP-HIFRSBDPSA-N 1 0 372.447 0.489 10 5 FCBERO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000828834857 669672012 /nfs/dbraw/zinc/67/20/12/669672012.db2.gz XEFTWKAUWKGTKG-UONOGXRCSA-N 1 0 350.419 0.850 10 5 FCBERO CN(C)S(=O)(=O)n1ccnc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000811506975 669756532 /nfs/dbraw/zinc/75/65/32/669756532.db2.gz MZBZKDAFNOTKJV-UHFFFAOYSA-N 1 0 368.419 0.411 10 5 FCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000849375604 671330891 /nfs/dbraw/zinc/33/08/91/671330891.db2.gz ZDXOIPNSPMJTRY-ZDUSSCGKSA-N 1 0 370.431 0.912 10 5 FCBERO O=C(C=C1CC[NH2+]CC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000852822279 671526699 /nfs/dbraw/zinc/52/66/99/671526699.db2.gz NJUQVQQUKBYNCK-UHFFFAOYSA-N 1 0 368.415 0.299 10 5 FCBERO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854353650 671574817 /nfs/dbraw/zinc/57/48/17/671574817.db2.gz BRLZPQFOJMAJQD-LBPRGKRZSA-N 1 0 352.366 0.619 10 5 FCBERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860194577 671874988 /nfs/dbraw/zinc/87/49/88/671874988.db2.gz UIQKGPXSIOWXHM-DOMZBBRYSA-N 1 0 357.432 0.889 10 5 FCBERO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860195089 671875191 /nfs/dbraw/zinc/87/51/91/671875191.db2.gz NKNHYOAZHPWHHA-WFASDCNBSA-N 1 0 357.432 0.889 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCc1ccccc1F ZINC001266591683 1169789262 /nfs/dbraw/zinc/78/92/62/1169789262.db2.gz TWVYWBLQTHWCHY-RGCMKSIDSA-N 1 0 364.377 0.344 10 5 FCBERO C[N@H+](CC(=O)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)CC(C)(C)C ZINC001745511877 1186624635 /nfs/dbraw/zinc/62/46/35/1186624635.db2.gz DHDBJMLFBCKCDI-ZIAGYGMSSA-N 1 0 354.451 0.737 10 5 FCBERO CC(C)NC(=O)NCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001481998251 1187567856 /nfs/dbraw/zinc/56/78/56/1187567856.db2.gz QAFRECXMOXESHR-HUUCEWRRSA-N 1 0 369.466 0.578 10 5 FCBERO CC(C)(C)NC(=O)NCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001270225072 1188054826 /nfs/dbraw/zinc/05/48/26/1188054826.db2.gz BKZFQANQKCDNNE-CHWSQXEVSA-N 1 0 369.466 0.720 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000905113904 1195575645 /nfs/dbraw/zinc/57/56/45/1195575645.db2.gz WZJOMPSQWXBNGZ-UHFFFAOYSA-N 1 0 361.446 0.737 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592880882 1196740262 /nfs/dbraw/zinc/74/02/62/1196740262.db2.gz PDWFEUIILRDIOD-SNVBAGLBSA-N 1 0 364.358 0.516 10 5 FCBERO CCOC(=O)c1cc(N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593486438 1196792311 /nfs/dbraw/zinc/79/23/11/1196792311.db2.gz XHFWGGWDLGZDAA-UHFFFAOYSA-N 1 0 364.402 0.982 10 5 FCBERO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809655 1199094282 /nfs/dbraw/zinc/09/42/82/1199094282.db2.gz BMMCGSACTYKNLO-HUUCEWRRSA-N 1 0 362.430 0.946 10 5 FCBERO C[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001136874586 1203293647 /nfs/dbraw/zinc/29/36/47/1203293647.db2.gz QWOAUUNMKDSTEY-GXTWGEPZSA-N 1 0 373.417 0.540 10 5 FCBERO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001148307209 1204826880 /nfs/dbraw/zinc/82/68/80/1204826880.db2.gz JNWDZKYLONWGAS-OAHLLOKOSA-N 1 0 361.402 0.701 10 5 FCBERO C[C@](CO)([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001175322325 1206303852 /nfs/dbraw/zinc/30/38/52/1206303852.db2.gz ATZACVGEISBVBU-MSOLQXFVSA-N 1 0 359.382 0.765 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001175437058 1206304641 /nfs/dbraw/zinc/30/46/41/1206304641.db2.gz RZEPFLGBBVRYIQ-BETUJISGSA-N 1 0 360.370 0.778 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773528971 1206308071 /nfs/dbraw/zinc/30/80/71/1206308071.db2.gz HTPRUNLFVCIJCC-DYVFJYSZSA-N 1 0 373.413 0.594 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001176965501 1206325947 /nfs/dbraw/zinc/32/59/47/1206325947.db2.gz NOBCBTCXCJCKCL-CHWSQXEVSA-N 1 0 365.386 0.816 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001196564433 1208090055 /nfs/dbraw/zinc/09/00/55/1208090055.db2.gz VQDWKUBSLLFJGJ-SWLSCSKDSA-N 1 0 365.386 0.958 10 5 FCBERO [NH3+][C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1F ZINC000852761052 1209562495 /nfs/dbraw/zinc/56/24/95/1209562495.db2.gz PRRNEJLDPZDXJV-HZPDHXFCSA-N 1 0 365.409 0.615 10 5 FCBERO [NH3+]C1(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000861670094 1209873952 /nfs/dbraw/zinc/87/39/52/1209873952.db2.gz JFJXKOPUFLRDIO-UHFFFAOYSA-N 1 0 363.418 0.934 10 5 FCBERO CN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001490889280 1219233553 /nfs/dbraw/zinc/23/35/53/1219233553.db2.gz DOVRNESIWOXDIZ-QHSBEEBCSA-N 1 0 352.435 0.680 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC001140921229 1222622319 /nfs/dbraw/zinc/62/23/19/1222622319.db2.gz ZDVKPFOALGIDOE-CYBMUJFWSA-N 1 0 368.438 0.400 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848765688 1245380306 /nfs/dbraw/zinc/38/03/06/1245380306.db2.gz GWNIXJWPBOKXAE-WDEREUQCSA-N 1 0 366.330 0.545 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)c([N+](=O)[O-])c1 ZINC001473749452 1261494384 /nfs/dbraw/zinc/49/43/84/1261494384.db2.gz HFZKRNAESABTDG-SNVBAGLBSA-N 1 0 361.362 0.935 10 5 FCBERO CCO[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C[NH+](C)C ZINC001288686683 1262030181 /nfs/dbraw/zinc/03/01/81/1262030181.db2.gz ZLLKCUFOQZPIMF-AWEZNQCLSA-N 1 0 362.390 0.872 10 5 FCBERO C[NH+](C)CC1(C(=O)N2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001288710665 1262030587 /nfs/dbraw/zinc/03/05/87/1262030587.db2.gz HKPIGNVCVAHDSS-HUUCEWRRSA-N 1 0 364.446 0.658 10 5 FCBERO COC(=O)COCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001289292185 1262163953 /nfs/dbraw/zinc/16/39/53/1262163953.db2.gz NAZKGPPFVISGHB-UHFFFAOYSA-N 1 0 366.374 0.475 10 5 FCBERO C[NH+](C)CCOc1cc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccn1 ZINC001295853061 1262781222 /nfs/dbraw/zinc/78/12/22/1262781222.db2.gz SLYIWXDJUGXBGA-UHFFFAOYSA-N 1 0 360.374 0.837 10 5 FCBERO C[NH+](C)Cc1ccoc1C(=O)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001296574068 1262821111 /nfs/dbraw/zinc/82/11/11/1262821111.db2.gz AMPBONZURSOZBH-ZIAGYGMSSA-N 1 0 364.402 0.727 10 5 FCBERO CNc1ccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001297879669 1262900157 /nfs/dbraw/zinc/90/01/57/1262900157.db2.gz HPOLRVFIWMSKTF-UHFFFAOYSA-N 1 0 363.418 0.968 10 5 FCBERO CN(CC1CC1)C(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485756660 1263514104 /nfs/dbraw/zinc/51/41/04/1263514104.db2.gz JJBCIFLGASBTNS-HUUCEWRRSA-N 1 0 352.435 0.443 10 5 FCBERO C[N@@H+](CC(=O)NCC1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001494196711 1263758077 /nfs/dbraw/zinc/75/80/77/1263758077.db2.gz TVLMDMZULWGQSI-HUUCEWRRSA-N 1 0 352.435 0.348 10 5 FCBERO CCN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001495600016 1263829456 /nfs/dbraw/zinc/82/94/56/1263829456.db2.gz XVNOSXIGYIVUGC-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCOCC(F)(F)F)C[C@@H]2C1 ZINC001501219868 1264112032 /nfs/dbraw/zinc/11/20/32/1264112032.db2.gz ZIFHKKUKGNXEAU-WRWGMCAJSA-N 1 0 351.325 0.621 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)NCc1ccccc1 ZINC001501950696 1264156738 /nfs/dbraw/zinc/15/67/38/1264156738.db2.gz MWDPIZZDDCAMNO-HUUCEWRRSA-N 1 0 360.414 0.597 10 5 FCBERO CC1CCN(C(=O)C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001506882932 1264346110 /nfs/dbraw/zinc/34/61/10/1264346110.db2.gz ASTFWBUNQLFTHU-KBUPBQIOSA-N 1 0 352.435 0.395 10 5 FCBERO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001327420499 1265313169 /nfs/dbraw/zinc/31/31/69/1265313169.db2.gz CAOUTCBOMYKKKM-CABCVRRESA-N 1 0 361.406 0.377 10 5 FCBERO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001327420501 1265313205 /nfs/dbraw/zinc/31/32/05/1265313205.db2.gz CAOUTCBOMYKKKM-HUUCEWRRSA-N 1 0 361.406 0.377 10 5 FCBERO CC(C)(C)CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001327636131 1265380263 /nfs/dbraw/zinc/38/02/63/1265380263.db2.gz ZHVMLYFBSDEFHU-CHWSQXEVSA-N 1 0 370.450 0.069 10 5 FCBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC001542656344 1267503274 /nfs/dbraw/zinc/50/32/74/1267503274.db2.gz ZZQYMFIEZUCASZ-OAHLLOKOSA-N 1 0 361.402 0.853 10 5 FCBERO C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001544139348 1267570946 /nfs/dbraw/zinc/57/09/46/1267570946.db2.gz MLYMSYXZSCPXFX-WBMJQRKESA-N 1 0 373.417 0.540 10 5 FCBERO O=C(NCCC1(CNC(=O)C23CCC[NH+]2CCC3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001340527979 1268578411 /nfs/dbraw/zinc/57/84/11/1268578411.db2.gz NXZYAENXSBXPNH-ZIAGYGMSSA-N 1 0 364.446 0.683 10 5 FCBERO C[NH+]1CCC(CC(=O)NCC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001340527532 1268578434 /nfs/dbraw/zinc/57/84/34/1268578434.db2.gz LSLSOJQNMKELEE-HUUCEWRRSA-N 1 0 366.462 0.786 10 5 FCBERO C[NH+](C)CCn1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC001557935753 1268992617 /nfs/dbraw/zinc/99/26/17/1268992617.db2.gz BKQYHKZHGUMTKF-KRWDZBQOSA-N 1 0 361.402 0.990 10 5 FCBERO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001559851169 1269178622 /nfs/dbraw/zinc/17/86/22/1269178622.db2.gz BYJBXIUXBXYJDK-GUTXKFCHSA-N 1 0 359.386 0.433 10 5 FCBERO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC001565609430 1269481216 /nfs/dbraw/zinc/48/12/16/1269481216.db2.gz ORKJRRKCMXFPSP-XJKSGUPXSA-N 1 0 350.419 0.628 10 5 FCBERO C[C@@H]1[C@H](C)N(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC001566989852 1269672463 /nfs/dbraw/zinc/67/24/63/1269672463.db2.gz SFXTXZPZWISSHH-NEPJUHHUSA-N 1 0 370.431 0.424 10 5 FCBERO CCn1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n1 ZINC001570301411 1269868141 /nfs/dbraw/zinc/86/81/41/1269868141.db2.gz VOFWENDLTGNOBE-ZIAGYGMSSA-N 1 0 351.407 0.323 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CC[NH+](CCOCC3CC3)CC2)C1 ZINC001570479851 1269890475 /nfs/dbraw/zinc/89/04/75/1269890475.db2.gz OGKGVEAQAJXQOA-HZPDHXFCSA-N 1 0 367.446 0.772 10 5 FCBERO CCN(C(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001714302199 1287318470 /nfs/dbraw/zinc/31/84/70/1287318470.db2.gz CACPRDLLQIBFQA-QHSBEEBCSA-N 1 0 352.435 0.680 10 5 FCBERO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716540284 1287383287 /nfs/dbraw/zinc/38/32/87/1287383287.db2.gz DVGVZNHZTPGBHG-CHWSQXEVSA-N 1 0 366.422 0.079 10 5 FCBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCN2CCCC2=O)CC1 ZINC001716883885 1287392189 /nfs/dbraw/zinc/39/21/89/1287392189.db2.gz LYJTXFFUVNOEKV-HUUCEWRRSA-N 1 0 366.462 0.882 10 5 FCBERO CN(C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1nccs1 ZINC001717150117 1287409180 /nfs/dbraw/zinc/40/91/80/1287409180.db2.gz OYSGNRXQRNXNMS-GHMZBOCLSA-N 1 0 367.431 0.400 10 5 FCBERO CC[N@@H+](CC(=O)NCC1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717355380 1287420416 /nfs/dbraw/zinc/42/04/16/1287420416.db2.gz KUZFWEMXSMBLFH-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO COc1ccc(C(=O)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001587091998 1282329524 /nfs/dbraw/zinc/32/95/24/1282329524.db2.gz YEAHJHLWFMSBKX-KRWDZBQOSA-N 1 0 365.386 0.749 10 5 FCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC12CC[NH+](CC1)C2 ZINC001587192657 1282340861 /nfs/dbraw/zinc/34/08/61/1282340861.db2.gz UMKLRAQVFZRXHV-UHFFFAOYSA-N 1 0 368.415 0.228 10 5 FCBERO C[N@@H+]1CC[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001635415788 1282404153 /nfs/dbraw/zinc/40/41/53/1282404153.db2.gz QMXUYUCNWVDJTO-GFCCVEGCSA-N 1 0 356.404 0.084 10 5 FCBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001635812222 1282434949 /nfs/dbraw/zinc/43/49/49/1282434949.db2.gz VIFCZYPQQPHHDM-SNVBAGLBSA-N 1 0 358.420 0.702 10 5 FCBERO C[NH+]1CCC(N(CCO)C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001640276722 1282850779 /nfs/dbraw/zinc/85/07/79/1282850779.db2.gz WBOHKSCQPXTEQQ-UHFFFAOYSA-N 1 0 374.401 0.704 10 5 FCBERO C[N@H+](CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)CC(C)(C)C ZINC001681604350 1283499036 /nfs/dbraw/zinc/49/90/36/1283499036.db2.gz KAFCVSWMNYCEFA-ZIAGYGMSSA-N 1 0 366.462 0.690 10 5 FCBERO C[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001596175532 1286287718 /nfs/dbraw/zinc/28/77/18/1286287718.db2.gz PLMGOHFAOQSNRI-JSGCOSHPSA-N 1 0 362.434 0.670 10 5 FCBERO CCO[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001597463741 1286346348 /nfs/dbraw/zinc/34/63/48/1286346348.db2.gz JXRXUHZXINKIHX-CYBMUJFWSA-N 1 0 362.390 0.872 10 5 FCBERO CCO[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001597463743 1286346679 /nfs/dbraw/zinc/34/66/79/1286346679.db2.gz JXRXUHZXINKIHX-ZDUSSCGKSA-N 1 0 362.390 0.872 10 5 FCBERO CC(C)(C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)[NH+]1CCCCC1 ZINC001705261295 1286363820 /nfs/dbraw/zinc/36/38/20/1286363820.db2.gz LCMJTVABBALQSY-CHWSQXEVSA-N 1 0 352.435 0.681 10 5 FCBERO CCN(C)C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001723698205 1288427268 /nfs/dbraw/zinc/42/72/68/1288427268.db2.gz JALNUNVVLGZFQG-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO Cc1noc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001724355200 1288437432 /nfs/dbraw/zinc/43/74/32/1288437432.db2.gz GUVLOCXUGJPGTI-TZMCWYRMSA-N 1 0 352.391 0.712 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCCC2CCOCC2)CC1 ZINC001724975935 1288457349 /nfs/dbraw/zinc/45/73/49/1288457349.db2.gz JVBXYZHPSGLOQG-HZPDHXFCSA-N 1 0 369.462 0.802 10 5 FCBERO CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001725944733 1288481563 /nfs/dbraw/zinc/48/15/63/1288481563.db2.gz DACFCBOPYFPYPM-CHWSQXEVSA-N 1 0 354.451 0.594 10 5 FCBERO Cc1ccc(CN(C)C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001731444566 1288557116 /nfs/dbraw/zinc/55/71/16/1288557116.db2.gz OZUKDPUKOBJOOX-QHSBEEBCSA-N 1 0 364.402 0.448 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC001731444510 1288557203 /nfs/dbraw/zinc/55/72/03/1288557203.db2.gz NVCLOQQUYOCHDO-AAVRWANBSA-N 1 0 350.350 0.666 10 5 FCBERO Cc1csc(=O)n1CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001731875659 1288568723 /nfs/dbraw/zinc/56/87/23/1288568723.db2.gz QPMIZMNIASHYGX-CHWSQXEVSA-N 1 0 354.432 0.464 10 5 FCBERO C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737425357 1289548210 /nfs/dbraw/zinc/54/82/10/1289548210.db2.gz WSPHNBBFBGUCEU-LXTVHRRPSA-N 1 0 352.435 0.585 10 5 FCBERO CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001701157564 1289633786 /nfs/dbraw/zinc/63/37/86/1289633786.db2.gz XJSYGWQSHYEHEH-ZIAGYGMSSA-N 1 0 354.451 0.737 10 5 FCBERO C[NH+](C)CCCCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001739166061 1289818372 /nfs/dbraw/zinc/81/83/72/1289818372.db2.gz JMYVXUHVWSZABI-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001625504877 1290346091 /nfs/dbraw/zinc/34/60/91/1290346091.db2.gz HABBGLAKLOYTEG-CQSZACIVSA-N 1 0 359.386 0.967 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001628299823 1290524195 /nfs/dbraw/zinc/52/41/95/1290524195.db2.gz KUOINDMVZIHZRL-CYBMUJFWSA-N 1 0 351.407 0.717 10 5 FCBERO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001628964516 1290566550 /nfs/dbraw/zinc/56/65/50/1290566550.db2.gz OSVQOGMBFYOHTP-LLVKDONJSA-N 1 0 351.359 0.553 10 5 FCBERO C[N@H+](CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H]1CCC[C@H]1O ZINC001629297352 1290588586 /nfs/dbraw/zinc/58/85/86/1290588586.db2.gz WTLLRJMIJBYNFJ-UKRRQHHQSA-N 1 0 363.418 0.484 10 5 FCBERO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001629699177 1290619880 /nfs/dbraw/zinc/61/98/80/1290619880.db2.gz MNYDPRFLZVXPNI-ZDUSSCGKSA-N 1 0 352.366 0.732 10 5 FCBERO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C[N@@H+]1C1CC1 ZINC001630423182 1290668627 /nfs/dbraw/zinc/66/86/27/1290668627.db2.gz LFFHDPVWGXJQLB-GHMZBOCLSA-N 1 0 357.374 0.926 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001643779407 1290914417 /nfs/dbraw/zinc/91/44/17/1290914417.db2.gz WPWXTBOYIDDBBW-AWEZNQCLSA-N 1 0 351.407 0.859 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC001644123651 1290941282 /nfs/dbraw/zinc/94/12/82/1290941282.db2.gz LAPFFADRYPPEQG-AWEZNQCLSA-N 1 0 351.388 0.738 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001653333259 1291336211 /nfs/dbraw/zinc/33/62/11/1291336211.db2.gz MPKBPQOTFFKCKI-OLZOCXBDSA-N 1 0 351.407 0.942 10 5 FCBERO COC(=O)[C@@H](NC(=O)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)C ZINC001654503832 1291416014 /nfs/dbraw/zinc/41/60/14/1291416014.db2.gz RZRYYIKHRYALQD-RDJZCZTQSA-N 1 0 367.402 0.706 10 5 FCBERO COC1(OC)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC001654637921 1291424138 /nfs/dbraw/zinc/42/41/38/1291424138.db2.gz ONGXGLQVUMFOIH-CQSZACIVSA-N 1 0 353.375 0.979 10 5 FCBERO C[C@](CO)(Cc1ccccc1F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654936549 1291445783 /nfs/dbraw/zinc/44/57/83/1291445783.db2.gz WADVUURURHGSBR-GDBMZVCRSA-N 1 0 352.366 0.875 10 5 FCBERO COC(=O)[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001655080109 1291454011 /nfs/dbraw/zinc/45/40/11/1291454011.db2.gz ZIJICMIFIFJIDO-OKILXGFUSA-N 1 0 352.343 0.868 10 5 FCBERO C[NH+](C)CC1(O)CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001655211470 1291460616 /nfs/dbraw/zinc/46/06/16/1291460616.db2.gz IHBLDRSYEXTYHY-UHFFFAOYSA-N 1 0 371.459 0.757 10 5 FCBERO COc1ccc(NC(=O)CC[NH+]2CCC(CO)(CO)CC2)c([N+](=O)[O-])c1 ZINC001655535622 1291471469 /nfs/dbraw/zinc/47/14/69/1291471469.db2.gz QEXXPTHCNBCZCG-UHFFFAOYSA-N 1 0 367.402 0.999 10 5 FCBERO COCC[N@H+](C)CCN1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CC1=O ZINC001655588566 1291476033 /nfs/dbraw/zinc/47/60/33/1291476033.db2.gz FRFKQQCLEIEXRP-NSHDSACASA-N 1 0 355.370 0.720 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC001659506884 1291640133 /nfs/dbraw/zinc/64/01/33/1291640133.db2.gz LQTGEKOUWKZYST-BZNIZROVSA-N 1 0 353.375 0.750 10 5 FCBERO C[C@H]1CC[C@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC001118866030 847611060 /nfs/dbraw/zinc/61/10/60/847611060.db2.gz VUIJHKLBVPPHIT-RYUDHWBXSA-N 1 0 350.375 0.347 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001175956307 850778935 /nfs/dbraw/zinc/77/89/35/850778935.db2.gz UFBWVDAAAGAGMJ-STQMWFEESA-N 1 0 373.431 0.206 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001186855611 851477811 /nfs/dbraw/zinc/47/78/11/851477811.db2.gz ZAZOMKYBGJBZIJ-HNNXBMFYSA-N 1 0 357.432 0.891 10 5 FCBERO CCC(C)(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001268036038 859522606 /nfs/dbraw/zinc/52/26/06/859522606.db2.gz KNGDVSCBFSBBMB-CHWSQXEVSA-N 1 0 354.451 0.975 10 5 FCBERO Cc1nc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cs1 ZINC001271037873 859886420 /nfs/dbraw/zinc/88/64/20/859886420.db2.gz CXUVMZLCFCDKLB-CHWSQXEVSA-N 1 0 354.432 0.872 10 5 FCBERO O=C(C[NH+]1CCCC1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001286040592 864670036 /nfs/dbraw/zinc/67/00/36/864670036.db2.gz LVIGVUJXYZOCRH-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001293732434 865803817 /nfs/dbraw/zinc/80/38/17/865803817.db2.gz WNLIAGPFZRYFHT-HUUCEWRRSA-N 1 0 352.435 0.589 10 5 FCBERO CC(C)N(CCCNC(=O)C1([NH+](C)C)CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001296708839 865985378 /nfs/dbraw/zinc/98/53/78/865985378.db2.gz SLSWLSKYFGBXFX-ZIAGYGMSSA-N 1 0 354.451 0.879 10 5 FCBERO O=C(CC[NH+]1CCCCC1)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001350866440 866714281 /nfs/dbraw/zinc/71/42/81/866714281.db2.gz ZKSBJNHKMOZDIJ-HUUCEWRRSA-N 1 0 352.435 0.635 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC001328798169 871630422 /nfs/dbraw/zinc/63/04/22/871630422.db2.gz CIVIGFNDLHQADO-DMDPSCGWSA-N 1 0 373.435 0.235 10 5 FCBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265305196 210091108 /nfs/dbraw/zinc/09/11/08/210091108.db2.gz OFBJKNFVSWONKP-LBPRGKRZSA-N 1 0 370.431 0.855 10 5 FCBERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000284999271 213263758 /nfs/dbraw/zinc/26/37/58/213263758.db2.gz YMXUVASUTYVNQU-IAGOWNOFSA-N 1 0 360.414 0.889 10 5 FCBERO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000367387702 216115841 /nfs/dbraw/zinc/11/58/41/216115841.db2.gz HNGFFJMDLHNFGA-UHFFFAOYSA-N 1 0 368.415 0.180 10 5 FCBERO CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415869452 245515945 /nfs/dbraw/zinc/51/59/45/245515945.db2.gz RALDSDTXOPBQGP-GFCCVEGCSA-N 1 0 364.402 0.935 10 5 FCBERO CC[C@@H](O)C[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181922478 209124739 /nfs/dbraw/zinc/12/47/39/209124739.db2.gz XBXKJMSCMNNLSM-CABCVRRESA-N 1 0 353.419 0.723 10 5 FCBERO Cn1cc([C@@H]2CNCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000181688865 209120175 /nfs/dbraw/zinc/12/01/75/209120175.db2.gz AUENAYFWYCPLLC-HNNXBMFYSA-N 1 0 365.415 0.805 10 5 FCBERO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419349974 246111819 /nfs/dbraw/zinc/11/18/19/246111819.db2.gz NCUBHMJJBUATDI-PHIMTYICSA-N 1 0 372.385 0.440 10 5 FCBERO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000423579544 247060085 /nfs/dbraw/zinc/06/00/85/247060085.db2.gz ORDRKUNFFFBJHB-BLLLJJGKSA-N 1 0 374.397 0.395 10 5 FCBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000423656253 247097800 /nfs/dbraw/zinc/09/78/00/247097800.db2.gz CKOBEOGZSKHYCL-GWCFXTLKSA-N 1 0 356.404 0.211 10 5 FCBERO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424064939 247165807 /nfs/dbraw/zinc/16/58/07/247165807.db2.gz KRSZDBANKJKSAQ-GFCCVEGCSA-N 1 0 359.390 0.953 10 5 FCBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000439118340 248111003 /nfs/dbraw/zinc/11/10/03/248111003.db2.gz KPAPVXIWHRBADJ-NSHDSACASA-N 1 0 360.436 0.747 10 5 FCBERO CC(C)(C)[NH2+]CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000439497657 248130738 /nfs/dbraw/zinc/13/07/38/248130738.db2.gz PSDUVOBSYWZPIP-UHFFFAOYSA-N 1 0 372.447 0.768 10 5 FCBERO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)nc2)C1 ZINC000448178767 248440266 /nfs/dbraw/zinc/44/02/66/248440266.db2.gz ODMTWSLRTPJJSS-LBPRGKRZSA-N 1 0 360.378 0.360 10 5 FCBERO CN(CC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1[N+](=O)[O-] ZINC000452386314 249314437 /nfs/dbraw/zinc/31/44/37/249314437.db2.gz FKHDMAGTJJJUIX-CQSZACIVSA-N 1 0 350.419 0.994 10 5 FCBERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000102204460 208167317 /nfs/dbraw/zinc/16/73/17/208167317.db2.gz PQDNCZHQQMODPL-ZDUSSCGKSA-N 1 0 352.391 0.230 10 5 FCBERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000102204457 208168230 /nfs/dbraw/zinc/16/82/30/208168230.db2.gz PQDNCZHQQMODPL-CYBMUJFWSA-N 1 0 352.391 0.230 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000266594841 210363943 /nfs/dbraw/zinc/36/39/43/210363943.db2.gz AQXJFOUADWTMQP-ZDUSSCGKSA-N 1 0 366.418 0.930 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000266191293 210301386 /nfs/dbraw/zinc/30/13/86/210301386.db2.gz GJMPQPTZZWKRQH-LLVKDONJSA-N 1 0 358.420 0.135 10 5 FCBERO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279060441 488913949 /nfs/dbraw/zinc/91/39/49/488913949.db2.gz LMOASAALNDUNPA-WBMJQRKESA-N 1 0 364.358 0.009 10 5 FCBERO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)N1 ZINC000279076005 488915572 /nfs/dbraw/zinc/91/55/72/488915572.db2.gz NGWHXGOIVJNVBH-MRXNPFEDSA-N 1 0 362.342 0.635 10 5 FCBERO COCC[N@@H+]1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000068911162 488369806 /nfs/dbraw/zinc/36/98/06/488369806.db2.gz KWSHMNGHRQGRHL-LLVKDONJSA-N 1 0 358.420 0.765 10 5 FCBERO Cc1csc([C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000246806684 488476026 /nfs/dbraw/zinc/47/60/26/488476026.db2.gz WDIORLQKALWTQE-OLZOCXBDSA-N 1 0 353.404 0.991 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248375728 488495357 /nfs/dbraw/zinc/49/53/57/488495357.db2.gz XUQWMQUFPUMCJW-ILXRZTDVSA-N 1 0 353.419 0.721 10 5 FCBERO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000154771130 488747098 /nfs/dbraw/zinc/74/70/98/488747098.db2.gz PSHXMZZGNJTPRI-AWEZNQCLSA-N 1 0 370.475 0.898 10 5 FCBERO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(c2cnccn2)CC1 ZINC000364810357 489004855 /nfs/dbraw/zinc/00/48/55/489004855.db2.gz DRSKADNVJMJRDB-OAHLLOKOSA-N 1 0 361.406 0.543 10 5 FCBERO COC(=O)c1cc(C)nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000367717677 489210212 /nfs/dbraw/zinc/21/02/12/489210212.db2.gz VNBYWGKHKRJSCD-RYUDHWBXSA-N 1 0 350.375 1.360 10 5 FCBERO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451666496 489516109 /nfs/dbraw/zinc/51/61/09/489516109.db2.gz HDPRRJUCVZVAHZ-CQSZACIVSA-N 1 0 357.432 0.861 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000416304652 489581596 /nfs/dbraw/zinc/58/15/96/489581596.db2.gz ZLYWGTIGJKFCGO-CHWSQXEVSA-N 1 0 364.402 0.238 10 5 FCBERO C[NH+](C)C1(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416306267 489581953 /nfs/dbraw/zinc/58/19/53/489581953.db2.gz ZUAUXWGLUIFHDE-UHFFFAOYSA-N 1 0 370.431 0.474 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000416493338 489601216 /nfs/dbraw/zinc/60/12/16/489601216.db2.gz GWPQJIAUDNXAFB-IINYFYTJSA-N 1 0 369.399 0.706 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420443658 489977547 /nfs/dbraw/zinc/97/75/47/489977547.db2.gz BAMQLCSVIGGXON-UHFFFAOYSA-N 1 0 357.388 0.802 10 5 FCBERO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1)OCCO2 ZINC000420446674 489978059 /nfs/dbraw/zinc/97/80/59/489978059.db2.gz IBPQIIYPULQMCX-JTQLQIEISA-N 1 0 357.388 0.786 10 5 FCBERO COC(=O)COc1ccc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000435060956 489979667 /nfs/dbraw/zinc/97/96/67/489979667.db2.gz NQCVRWDFTPYSNT-KRWDZBQOSA-N 1 0 363.370 0.859 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000378243448 490032755 /nfs/dbraw/zinc/03/27/55/490032755.db2.gz MZGHKWBRYKWBAW-LSDHHAIUSA-N 1 0 355.416 0.877 10 5 FCBERO COc1c[nH+]ccc1N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000564581522 491315417 /nfs/dbraw/zinc/31/54/17/491315417.db2.gz FZSNKPLIOUVAID-UHFFFAOYSA-N 1 0 358.358 0.819 10 5 FCBERO CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C(=O)NCC[NH+](C)C ZINC000534050695 490312993 /nfs/dbraw/zinc/31/29/93/490312993.db2.gz GNDMZINWRRQALM-LBPRGKRZSA-N 1 0 353.423 0.756 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000510278020 490505427 /nfs/dbraw/zinc/50/54/27/490505427.db2.gz ZCKYGKHPVXUQKS-UHFFFAOYSA-N 1 0 374.401 0.459 10 5 FCBERO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000512768094 490698183 /nfs/dbraw/zinc/69/81/83/490698183.db2.gz ZGSUNEOVKWMFKE-UHFFFAOYSA-N 1 0 362.433 0.051 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596364600 491984732 /nfs/dbraw/zinc/98/47/32/491984732.db2.gz PHRNMFAMCATQTM-LBPRGKRZSA-N 1 0 373.479 0.926 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000572493489 491373809 /nfs/dbraw/zinc/37/38/09/491373809.db2.gz MAWJRBAQHPTVAN-ZJUUUORDSA-N 1 0 357.388 0.882 10 5 FCBERO CS(=O)(=O)c1cc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC000572521407 491376080 /nfs/dbraw/zinc/37/60/80/491376080.db2.gz HTGCTCIOHNOFOK-LLVKDONJSA-N 1 0 363.342 0.725 10 5 FCBERO COc1cc(CC[NH2+]C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000584545989 491603379 /nfs/dbraw/zinc/60/33/79/491603379.db2.gz GNBBWAIDMYQIHH-AWEZNQCLSA-N 1 0 369.418 0.437 10 5 FCBERO C[C@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000579610496 491701565 /nfs/dbraw/zinc/70/15/65/491701565.db2.gz CHAQSWJKJHQJFM-LBPRGKRZSA-N 1 0 370.431 0.331 10 5 FCBERO C[C@@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000579610495 491701607 /nfs/dbraw/zinc/70/16/07/491701607.db2.gz CHAQSWJKJHQJFM-GFCCVEGCSA-N 1 0 370.431 0.331 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@H](O)C[NH+]1CCCCC1 ZINC000579952793 491710754 /nfs/dbraw/zinc/71/07/54/491710754.db2.gz PYTHAYYXZNOUOB-LSDHHAIUSA-N 1 0 353.419 0.771 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589929933 491767549 /nfs/dbraw/zinc/76/75/49/491767549.db2.gz ORPACKXUQZHJSM-JQWIXIFHSA-N 1 0 369.399 0.691 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590355435 491774142 /nfs/dbraw/zinc/77/41/42/491774142.db2.gz XSALTRXLKAAUSX-LBPRGKRZSA-N 1 0 362.386 0.486 10 5 FCBERO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444246 491776710 /nfs/dbraw/zinc/77/67/10/491776710.db2.gz NCXPAYUAGOIACZ-HZMBPMFUSA-N 1 0 368.415 0.327 10 5 FCBERO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1n1cccn1 ZINC000582058126 491796169 /nfs/dbraw/zinc/79/61/69/491796169.db2.gz PTQJFZRTYVAXAB-XQLPTFJDSA-N 1 0 350.379 0.357 10 5 FCBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592081626 491830878 /nfs/dbraw/zinc/83/08/78/491830878.db2.gz BHSADLNHQKTORZ-GFCCVEGCSA-N 1 0 370.431 0.644 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592081924 491830898 /nfs/dbraw/zinc/83/08/98/491830898.db2.gz DZGOVZPLPGMRQJ-LLVKDONJSA-N 1 0 356.404 0.335 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592081925 491830932 /nfs/dbraw/zinc/83/09/32/491830932.db2.gz DZGOVZPLPGMRQJ-NSHDSACASA-N 1 0 356.404 0.335 10 5 FCBERO CC[C@@H](Cn1cncn1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000584282223 491862102 /nfs/dbraw/zinc/86/21/02/491862102.db2.gz RFZMMRPKFPVSIS-LBPRGKRZSA-N 1 0 368.419 0.533 10 5 FCBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@]1(OCCO)CCOC1)OCCO2 ZINC000594974887 491874272 /nfs/dbraw/zinc/87/42/72/491874272.db2.gz MWGGMNLEWIGKGB-INIZCTEOSA-N 1 0 354.359 0.624 10 5 FCBERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595109762 491884178 /nfs/dbraw/zinc/88/41/78/491884178.db2.gz NLXGVVWJCXAPBA-DZGCQCFKSA-N 1 0 370.431 0.897 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(CO)(CO)C1 ZINC000595801411 491954428 /nfs/dbraw/zinc/95/44/28/491954428.db2.gz WSJVUCYQUAPYNI-UHFFFAOYSA-N 1 0 353.375 0.609 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[C@H]1F ZINC000595979538 491967608 /nfs/dbraw/zinc/96/76/08/491967608.db2.gz AKXVUXLCBUDLQI-HUUCEWRRSA-N 1 0 364.377 0.984 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000604502299 492062250 /nfs/dbraw/zinc/06/22/50/492062250.db2.gz TZAXTDPIWWJNAT-CYBMUJFWSA-N 1 0 360.370 0.627 10 5 FCBERO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598451529 492099239 /nfs/dbraw/zinc/09/92/39/492099239.db2.gz BAOBWGILKJEPSP-GFCCVEGCSA-N 1 0 363.370 0.995 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000599258315 492150353 /nfs/dbraw/zinc/15/03/53/492150353.db2.gz ODDLFOYOTYVTOY-UHFFFAOYSA-N 1 0 357.392 0.674 10 5 FCBERO [NH3+]CCCOCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599934031 492218607 /nfs/dbraw/zinc/21/86/07/492218607.db2.gz KQRWDLXLPAOAFV-UHFFFAOYSA-N 1 0 352.395 0.187 10 5 FCBERO Cc1c(CNC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000599950183 492221025 /nfs/dbraw/zinc/22/10/25/492221025.db2.gz LTIQGXCDJYLAMX-HDICACEKSA-N 1 0 360.414 0.977 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000610336503 492242713 /nfs/dbraw/zinc/24/27/13/492242713.db2.gz QZWYDGJIHLGOIU-CQSZACIVSA-N 1 0 361.406 0.570 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000591328848 546934194 /nfs/dbraw/zinc/93/41/94/546934194.db2.gz XNJSCCZCAVEZLT-HZMBPMFUSA-N 1 0 369.399 0.706 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592380890 546948223 /nfs/dbraw/zinc/94/82/23/546948223.db2.gz WAQZRUHWRKFMHO-CYBMUJFWSA-N 1 0 371.415 1.000 10 5 FCBERO C[NH+](C)CCN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593623147 546984263 /nfs/dbraw/zinc/98/42/63/546984263.db2.gz VWKSDCZXKXYGQA-UHFFFAOYSA-N 1 0 370.431 0.130 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593620601 546984958 /nfs/dbraw/zinc/98/49/58/546984958.db2.gz CEMKZVVDBRJVNG-UHFFFAOYSA-N 1 0 370.431 0.298 10 5 FCBERO COc1ccc(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594212588 546996523 /nfs/dbraw/zinc/99/65/23/546996523.db2.gz ZUDLQVQBCJWECS-QWHCGFSZSA-N 1 0 350.375 0.564 10 5 FCBERO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000594478343 547000067 /nfs/dbraw/zinc/00/00/67/547000067.db2.gz PRKRQQDNSGJVRI-LSDHHAIUSA-N 1 0 355.416 0.218 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594471943 547000165 /nfs/dbraw/zinc/00/01/65/547000165.db2.gz TUCJEXHESXHGQV-PHIMTYICSA-N 1 0 371.415 1.000 10 5 FCBERO [NH3+]C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000594538848 547001265 /nfs/dbraw/zinc/00/12/65/547001265.db2.gz VUEUTXIZNUFXNW-JTQLQIEISA-N 1 0 362.312 0.711 10 5 FCBERO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594754139 547004789 /nfs/dbraw/zinc/00/47/89/547004789.db2.gz PDSSZCRGRGPNBZ-ZDUSSCGKSA-N 1 0 369.447 0.390 10 5 FCBERO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594821836 547014428 /nfs/dbraw/zinc/01/44/28/547014428.db2.gz OPLFJFZBBBFKAJ-UHFFFAOYSA-N 1 0 362.427 0.896 10 5 FCBERO O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923574955 667850708 /nfs/dbraw/zinc/85/07/08/667850708.db2.gz KUGQSPADZAJYFN-CYBMUJFWSA-N 1 0 354.432 0.799 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776587276 668275234 /nfs/dbraw/zinc/27/52/34/668275234.db2.gz VWARXZXYYQIMAT-INIZCTEOSA-N 1 0 350.419 0.724 10 5 FCBERO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000772054801 668288354 /nfs/dbraw/zinc/28/83/54/668288354.db2.gz ATLLWFAWLIBFLQ-UHFFFAOYSA-N 1 0 353.379 0.474 10 5 FCBERO CN(C)S(=O)(=O)[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796127584 669081844 /nfs/dbraw/zinc/08/18/44/669081844.db2.gz FIIGOOQTNGDKTK-LSDHHAIUSA-N 1 0 357.432 0.984 10 5 FCBERO C[NH+](C)C1CN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)C1 ZINC000827516439 669575342 /nfs/dbraw/zinc/57/53/42/669575342.db2.gz WJGDEQWQQUXJKN-UHFFFAOYSA-N 1 0 354.313 0.806 10 5 FCBERO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000843347026 670802863 /nfs/dbraw/zinc/80/28/63/670802863.db2.gz QRJTTZQCFNVXQK-UHFFFAOYSA-N 1 0 369.809 0.550 10 5 FCBERO C[NH+](C)CCN1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1=O ZINC000844381788 670921344 /nfs/dbraw/zinc/92/13/44/670921344.db2.gz RGHNUNFGXCJWAM-UHFFFAOYSA-N 1 0 351.363 0.709 10 5 FCBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1F ZINC000844762149 670940859 /nfs/dbraw/zinc/94/08/59/670940859.db2.gz KGSFDCSWCNJPSG-UHFFFAOYSA-N 1 0 352.366 0.888 10 5 FCBERO O=C1O[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000848679758 671289639 /nfs/dbraw/zinc/28/96/39/671289639.db2.gz ZIEHDORMIYUGIW-CYBMUJFWSA-N 1 0 369.399 0.941 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC[C@H]1F ZINC000851649393 671452822 /nfs/dbraw/zinc/45/28/22/671452822.db2.gz XNINKPDJESOTTP-ZIAGYGMSSA-N 1 0 352.366 0.943 10 5 FCBERO Cc1c(C(=O)N2CCOC3(C[NH2+]C3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000853245222 671544890 /nfs/dbraw/zinc/54/48/90/671544890.db2.gz ITMSEUAXPDZQIR-UHFFFAOYSA-N 1 0 350.331 0.934 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000858612188 671768826 /nfs/dbraw/zinc/76/88/26/671768826.db2.gz YXLLEZHCHRXGIK-LBPRGKRZSA-N 1 0 351.388 0.494 10 5 FCBERO CCN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccccc1 ZINC001266683481 1170058366 /nfs/dbraw/zinc/05/83/66/1170058366.db2.gz PJJUTLCFQYYXSH-OCVGTWLNSA-N 1 0 360.414 0.942 10 5 FCBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000760502569 1192856034 /nfs/dbraw/zinc/85/60/34/1192856034.db2.gz LUMFBLVVCLBOGF-UHFFFAOYSA-N 1 0 363.418 0.555 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NCC(F)(F)F ZINC001482218507 1187849683 /nfs/dbraw/zinc/84/96/83/1187849683.db2.gz QCKBSQZYWHNQRZ-NXEZZACHSA-N 1 0 366.340 0.349 10 5 FCBERO C[NH+](C)CCN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000593053281 1193785838 /nfs/dbraw/zinc/78/58/38/1193785838.db2.gz YSNXYHDSEDWYAC-AWEZNQCLSA-N 1 0 366.418 0.040 10 5 FCBERO C[NH+](C)CCN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1=O ZINC000593051469 1196605823 /nfs/dbraw/zinc/60/58/23/1196605823.db2.gz NSKBSWCGFJAHAS-UHFFFAOYSA-N 1 0 374.401 0.851 10 5 FCBERO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392518 1196719182 /nfs/dbraw/zinc/71/91/82/1196719182.db2.gz HIZNOBDQQAPDFQ-UONOGXRCSA-N 1 0 358.358 0.067 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000592880935 1196740146 /nfs/dbraw/zinc/74/01/46/1196740146.db2.gz PYSXEUQVDTYZSN-ZDUSSCGKSA-N 1 0 363.418 0.975 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1=O ZINC000593784079 1196820083 /nfs/dbraw/zinc/82/00/83/1196820083.db2.gz HNQDUPWDCFGOOX-UHFFFAOYSA-N 1 0 359.386 0.922 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001135753252 1203082758 /nfs/dbraw/zinc/08/27/58/1203082758.db2.gz CPFJFKAMYQDQDP-UHFFFAOYSA-N 1 0 373.417 0.495 10 5 FCBERO Cc1nn(CN2CCN(CC[NH+](C)C)C(=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000844715459 1204429541 /nfs/dbraw/zinc/42/95/41/1204429541.db2.gz XNWPGDQYDHXAAA-UHFFFAOYSA-N 1 0 360.418 0.916 10 5 FCBERO C[NH+](C)CCN1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1=O ZINC000844715516 1204429578 /nfs/dbraw/zinc/42/95/78/1204429578.db2.gz YFGCAAZSEZATAQ-UHFFFAOYSA-N 1 0 373.417 0.517 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001176965503 1206326384 /nfs/dbraw/zinc/32/63/84/1206326384.db2.gz NOBCBTCXCJCKCL-QWHCGFSZSA-N 1 0 365.386 0.816 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008412 1206370872 /nfs/dbraw/zinc/37/08/72/1206370872.db2.gz KGALCNPVONUJQE-DGCLKSJQSA-N 1 0 366.422 0.417 10 5 FCBERO CC(C)[N@H+](C)CC(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001488601525 1208543227 /nfs/dbraw/zinc/54/32/27/1208543227.db2.gz BOJVVDQOMGMJHL-HUUCEWRRSA-N 1 0 366.462 0.879 10 5 FCBERO [NH3+]CC12CC(C1)CN2CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852756828 1209562310 /nfs/dbraw/zinc/56/23/10/1209562310.db2.gz WGXPCPCGPJDXHZ-UHFFFAOYSA-N 1 0 359.430 0.667 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852915707 1209576007 /nfs/dbraw/zinc/57/60/07/1209576007.db2.gz JSFHGZRNRBVNMD-UHFFFAOYSA-N 1 0 373.413 0.193 10 5 FCBERO COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3ncc([N+](=O)[O-])n3)CC2)cc1 ZINC000863373760 1209940617 /nfs/dbraw/zinc/94/06/17/1209940617.db2.gz CIXHDYHUGOUYSV-UHFFFAOYSA-N 1 0 374.401 0.929 10 5 FCBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000866555891 1209998813 /nfs/dbraw/zinc/99/88/13/1209998813.db2.gz VKQVHOOCDFBKHO-PXAZEXFGSA-N 1 0 367.377 0.882 10 5 FCBERO Cc1c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000825617400 1210195360 /nfs/dbraw/zinc/19/53/60/1210195360.db2.gz GLFYDIJNHWFFEL-UHFFFAOYSA-N 1 0 365.346 0.315 10 5 FCBERO Cc1ccc(CNC(=O)C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000931141243 1211741239 /nfs/dbraw/zinc/74/12/39/1211741239.db2.gz RZEKQTDPEBPOOB-KDOFPFPSSA-N 1 0 360.414 0.930 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000931217817 1211745871 /nfs/dbraw/zinc/74/58/71/1211745871.db2.gz ZZPRYXHFDRPQFD-UHFFFAOYSA-N 1 0 364.450 0.775 10 5 FCBERO CC(C)C[NH2+]C1(CO)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001149172593 1222879926 /nfs/dbraw/zinc/87/99/26/1222879926.db2.gz SJWUIJKKNJVWGL-UHFFFAOYSA-N 1 0 366.418 0.356 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001330018478 1265927001 /nfs/dbraw/zinc/92/70/01/1265927001.db2.gz CJBGYRPLZASJTA-CQSZACIVSA-N 1 0 362.386 0.620 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001330579539 1266063705 /nfs/dbraw/zinc/06/37/05/1266063705.db2.gz VCXOWHPGNIQVMS-JKSUJKDBSA-N 1 0 360.414 0.949 10 5 FCBERO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccc(O)cc1 ZINC001330594866 1266066265 /nfs/dbraw/zinc/06/62/65/1266066265.db2.gz PIYQQKRLLPPMSP-PZTHBURQSA-N 1 0 362.386 0.480 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001330592369 1266066824 /nfs/dbraw/zinc/06/68/24/1266066824.db2.gz PRMRNVZNWNBZFW-UHFFFAOYSA-N 1 0 366.422 0.288 10 5 FCBERO COC(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC001176533981 1259392990 /nfs/dbraw/zinc/39/29/90/1259392990.db2.gz MTBSZNAULYHAHE-DZGCQCFKSA-N 1 0 363.370 0.663 10 5 FCBERO CC1([NH+]2CCOCC2)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001331711675 1266270033 /nfs/dbraw/zinc/27/00/33/1266270033.db2.gz OEJOJTDEMTYSNT-UHFFFAOYSA-N 1 0 364.402 0.470 10 5 FCBERO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CCC1 ZINC001280362569 1261061504 /nfs/dbraw/zinc/06/15/04/1261061504.db2.gz BXNWUGOAEVHWQC-KLHDSHLOSA-N 1 0 366.462 0.833 10 5 FCBERO COC1(OC)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC001473751678 1261493988 /nfs/dbraw/zinc/49/39/88/1261493988.db2.gz KVFZETNDALSBBG-SWLSCSKDSA-N 1 0 356.375 0.390 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3nn[nH]n3)C2)c([N+](=O)[O-])c1 ZINC001473749451 1261494596 /nfs/dbraw/zinc/49/45/96/1261494596.db2.gz HFZKRNAESABTDG-JTQLQIEISA-N 1 0 361.362 0.935 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001289519862 1262235706 /nfs/dbraw/zinc/23/57/06/1262235706.db2.gz SMLCMRKRLICXBG-LLVKDONJSA-N 1 0 360.370 0.791 10 5 FCBERO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001297730293 1262888895 /nfs/dbraw/zinc/88/88/95/1262888895.db2.gz VYOHWJVQWUSHGP-CQSZACIVSA-N 1 0 374.401 0.752 10 5 FCBERO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC001298013634 1262906116 /nfs/dbraw/zinc/90/61/16/1262906116.db2.gz PZZCFMAHCRLDSF-UHFFFAOYSA-N 1 0 364.402 0.206 10 5 FCBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001298681888 1262936973 /nfs/dbraw/zinc/93/69/73/1262936973.db2.gz MYYIBGPPBWHMMT-UHFFFAOYSA-N 1 0 363.418 0.899 10 5 FCBERO Cc1nc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)o1 ZINC001484181497 1263457259 /nfs/dbraw/zinc/45/72/59/1263457259.db2.gz DHKNZIRQWBNVED-CHWSQXEVSA-N 1 0 352.391 0.712 10 5 FCBERO CC(C)(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001484387541 1263470195 /nfs/dbraw/zinc/47/01/95/1263470195.db2.gz CJSSXXJMROWPMF-XLWJZTARSA-N 1 0 366.462 0.926 10 5 FCBERO Cc1nc(CC[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001484952678 1263493611 /nfs/dbraw/zinc/49/36/11/1263493611.db2.gz JRLGTFLRMYEOCR-ZIAGYGMSSA-N 1 0 368.459 0.602 10 5 FCBERO C[NH+]1CCN(c2ccccc2CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318316430 1263562928 /nfs/dbraw/zinc/56/29/28/1263562928.db2.gz LCUKFTQDFAUCJH-UHFFFAOYSA-N 1 0 359.390 0.255 10 5 FCBERO CCN(CC[NH2+]CC(=O)N1CCc2ccccc21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320734128 1263851740 /nfs/dbraw/zinc/85/17/40/1263851740.db2.gz DGTDCYQXNHQDOO-GDBMZVCRSA-N 1 0 360.414 0.679 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCOCC(F)(F)F)CC1 ZINC001502869542 1264183735 /nfs/dbraw/zinc/18/37/35/1264183735.db2.gz UHJBIVCLSZQGAB-GHMZBOCLSA-N 1 0 369.340 0.174 10 5 FCBERO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001542572232 1267500008 /nfs/dbraw/zinc/50/00/08/1267500008.db2.gz IPEWIGARAWYJPX-UHFFFAOYSA-N 1 0 367.406 0.918 10 5 FCBERO C[N@H+](CC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001339477542 1268247838 /nfs/dbraw/zinc/24/78/38/1268247838.db2.gz DHJQJCOEKAZRDG-HUUCEWRRSA-N 1 0 366.462 0.904 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001557694444 1268966576 /nfs/dbraw/zinc/96/65/76/1268966576.db2.gz JTZJDGOPAFGJNR-UHFFFAOYSA-N 1 0 372.809 0.361 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001560088578 1269186251 /nfs/dbraw/zinc/18/62/51/1269186251.db2.gz LWROBEODQLKLIY-TXEJJXNPSA-N 1 0 353.375 0.465 10 5 FCBERO COC(=O)C1(C2(O)CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC001560206255 1269196539 /nfs/dbraw/zinc/19/65/39/1269196539.db2.gz UDROEIICSNOFJO-UHFFFAOYSA-N 1 0 352.391 0.962 10 5 FCBERO Cc1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001570414367 1269879732 /nfs/dbraw/zinc/87/97/32/1269879732.db2.gz TZVHAMXHKYJVCE-VXGBXAGGSA-N 1 0 354.432 0.560 10 5 FCBERO CC(C)N(C)C(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713764304 1287296114 /nfs/dbraw/zinc/29/61/14/1287296114.db2.gz XVSDIHTZJGQDLH-HUUCEWRRSA-N 1 0 354.451 0.689 10 5 FCBERO CCn1nnc(C)c1C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001714263892 1287317740 /nfs/dbraw/zinc/31/77/40/1287317740.db2.gz FEWBWYIELAFNLN-HUUCEWRRSA-N 1 0 364.450 0.990 10 5 FCBERO CCN(CC)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001715215858 1287346885 /nfs/dbraw/zinc/34/68/85/1287346885.db2.gz CMIRZRTWNUVHGT-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC001715815129 1287361642 /nfs/dbraw/zinc/36/16/42/1287361642.db2.gz NEUTWOWIELYCLC-KOMGFDSOSA-N 1 0 368.340 0.831 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccc(F)c(F)c1 ZINC001716681515 1287385394 /nfs/dbraw/zinc/38/53/94/1287385394.db2.gz QAWXXTJDIFDHHJ-ZWNOBZJWSA-N 1 0 368.340 0.807 10 5 FCBERO Cc1nnsc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001716904385 1287393181 /nfs/dbraw/zinc/39/31/81/1287393181.db2.gz KHLIVMAOQURRSG-GHMZBOCLSA-N 1 0 355.420 0.267 10 5 FCBERO O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCCCCC1 ZINC001717639748 1287431095 /nfs/dbraw/zinc/43/10/95/1287431095.db2.gz YXKWAUVLGNNUNS-KLHDSHLOSA-N 1 0 366.462 0.929 10 5 FCBERO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001718372028 1287498402 /nfs/dbraw/zinc/49/84/02/1287498402.db2.gz ZGXGPMFUMKDYCP-KBUPBQIOSA-N 1 0 352.435 0.539 10 5 FCBERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001632419257 1282174163 /nfs/dbraw/zinc/17/41/63/1282174163.db2.gz KKEDDDCYKLBOBF-INIZCTEOSA-N 1 0 362.390 0.277 10 5 FCBERO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001632434972 1282174799 /nfs/dbraw/zinc/17/47/99/1282174799.db2.gz FOIPCHDPNMXUCW-JTQLQIEISA-N 1 0 358.420 0.702 10 5 FCBERO C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001634827698 1282358313 /nfs/dbraw/zinc/35/83/13/1282358313.db2.gz IUMQNNUONZEPMJ-VXGBXAGGSA-N 1 0 370.431 0.472 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001587975807 1282390794 /nfs/dbraw/zinc/39/07/94/1282390794.db2.gz ODGSBWKZMPFWMD-MLGOLLRUSA-N 1 0 368.438 0.352 10 5 FCBERO COc1cc(OCC(=O)N[C@H](CO)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001641852908 1282976056 /nfs/dbraw/zinc/97/60/56/1282976056.db2.gz QQNYXWYLQSJPQT-LBPRGKRZSA-N 1 0 353.375 0.555 10 5 FCBERO Cc1nc[nH]c1CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001681850961 1283512073 /nfs/dbraw/zinc/51/20/73/1283512073.db2.gz SWBXAPFBQLVIFF-UKRRQHHQSA-N 1 0 361.402 0.591 10 5 FCBERO C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001596175533 1286287975 /nfs/dbraw/zinc/28/79/75/1286287975.db2.gz PLMGOHFAOQSNRI-OCCSQVGLSA-N 1 0 362.434 0.670 10 5 FCBERO COc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001724355244 1288437861 /nfs/dbraw/zinc/43/78/61/1288437861.db2.gz IPKCKNCONWNVLK-ZIAGYGMSSA-N 1 0 364.402 0.510 10 5 FCBERO CC(C)N(CCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001735439297 1288743129 /nfs/dbraw/zinc/74/31/29/1288743129.db2.gz URKWYZHXVQGWLN-HUUCEWRRSA-N 1 0 366.462 0.975 10 5 FCBERO CCN(CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001737276914 1289524546 /nfs/dbraw/zinc/52/45/46/1289524546.db2.gz HBMHYCQETKKUTR-ZIAGYGMSSA-N 1 0 354.451 0.881 10 5 FCBERO CC[N@H+](CCN1CCNC1=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700340349 1289592785 /nfs/dbraw/zinc/59/27/85/1289592785.db2.gz RJZQEBGKSBSQEB-HUUCEWRRSA-N 1 0 367.450 0.237 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC001617533095 1289846237 /nfs/dbraw/zinc/84/62/37/1289846237.db2.gz ZAGZEFMIHKDTSJ-UHFFFAOYSA-N 1 0 371.463 0.990 10 5 FCBERO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001618485017 1289912747 /nfs/dbraw/zinc/91/27/47/1289912747.db2.gz NIJATHPDYPQFTH-GUYCJALGSA-N 1 0 363.418 0.849 10 5 FCBERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001620564203 1290001875 /nfs/dbraw/zinc/00/18/75/1290001875.db2.gz CXZQUNUUHREBIL-IIAWOOMASA-N 1 0 365.434 0.923 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001624095265 1290252223 /nfs/dbraw/zinc/25/22/23/1290252223.db2.gz JLGSDPBHAYGBRL-UHFFFAOYSA-N 1 0 366.422 0.208 10 5 FCBERO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001625544337 1290348052 /nfs/dbraw/zinc/34/80/52/1290348052.db2.gz SENYFXQXAJRZHK-UHFFFAOYSA-N 1 0 370.431 0.799 10 5 FCBERO C[NH+]1CCC(CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001626571243 1290404384 /nfs/dbraw/zinc/40/43/84/1290404384.db2.gz KYVGPIULPFQNSC-UHFFFAOYSA-N 1 0 370.431 0.704 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC001627289585 1290451780 /nfs/dbraw/zinc/45/17/80/1290451780.db2.gz JNEGXFQKCNOTEY-GFCCVEGCSA-N 1 0 360.370 0.791 10 5 FCBERO CN1CC[NH+](CCCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001629746748 1290622207 /nfs/dbraw/zinc/62/22/07/1290622207.db2.gz SULDRGWCAQTDGT-MRXNPFEDSA-N 1 0 350.419 0.772 10 5 FCBERO NC(=O)Cc1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001654489284 1291414451 /nfs/dbraw/zinc/41/44/51/1291414451.db2.gz LXUZUNVTKFRELW-UHFFFAOYSA-N 1 0 356.382 0.843 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001655527842 1291471707 /nfs/dbraw/zinc/47/17/07/1291471707.db2.gz UATNQLVVIOCRHU-LBPRGKRZSA-N 1 0 370.431 0.795 10 5 FCBERO COCC[N@H+](C)CCN1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CC1=O ZINC001655588565 1291475608 /nfs/dbraw/zinc/47/56/08/1291475608.db2.gz FRFKQQCLEIEXRP-LLVKDONJSA-N 1 0 355.370 0.720 10 5 FCBERO COC(=O)[C@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)OC ZINC001660611719 1291666089 /nfs/dbraw/zinc/66/60/89/1291666089.db2.gz IPAIMYPUAWHCPN-RYUDHWBXSA-N 1 0 352.343 0.868 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCc1cccs1 ZINC001661598469 1291701781 /nfs/dbraw/zinc/70/17/81/1291701781.db2.gz WKFLAXMEAOLSPI-LYIQGSDWSA-N 1 0 352.416 0.266 10 5 FCBERO C[NH+](C)CCCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@]2(C)C1 ZINC001679018874 1292290790 /nfs/dbraw/zinc/29/07/90/1292290790.db2.gz OGZDNFHQXQXNBJ-DTDBQYNISA-N 1 0 366.462 0.690 10 5 FCBERO CN(CCC[NH2+]CC(=O)NC1CCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001131 861286430 /nfs/dbraw/zinc/28/64/30/861286430.db2.gz FAWSMFNBPVPBKO-HUUCEWRRSA-N 1 0 354.451 0.929 10 5 FCBERO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CC2)C1 ZINC001136782824 849241624 /nfs/dbraw/zinc/24/16/24/849241624.db2.gz HIODUTIENMIEKJ-SNVBAGLBSA-N 1 0 356.814 0.823 10 5 FCBERO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])cn1 ZINC001147111862 849574227 /nfs/dbraw/zinc/57/42/27/849574227.db2.gz JIMHOZVZXWEPSP-UHFFFAOYSA-N 1 0 354.411 0.335 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC001149172242 849630146 /nfs/dbraw/zinc/63/01/46/849630146.db2.gz MMASEXRSVSHZMB-UHFFFAOYSA-N 1 0 353.423 0.699 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC001166048773 850459559 /nfs/dbraw/zinc/45/95/59/850459559.db2.gz WPSMUOLNNXDTDI-UHFFFAOYSA-N 1 0 354.388 0.162 10 5 FCBERO COc1ccc(OCC[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001175955896 850778906 /nfs/dbraw/zinc/77/89/06/850778906.db2.gz QKXLUKWQZVNEFP-LBPRGKRZSA-N 1 0 373.431 0.853 10 5 FCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001176467278 850789224 /nfs/dbraw/zinc/78/92/24/850789224.db2.gz OQYFYYNLHUPEHZ-CQSZACIVSA-N 1 0 351.407 0.941 10 5 FCBERO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001176600991 850792999 /nfs/dbraw/zinc/79/29/99/850792999.db2.gz XJQVQBZTMBNXRF-HOTGVXAUSA-N 1 0 352.366 0.875 10 5 FCBERO C[C@]1([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892538 853181493 /nfs/dbraw/zinc/18/14/93/853181493.db2.gz ZVTGFUXJWFYCGL-MLGOLLRUSA-N 1 0 350.375 0.967 10 5 FCBERO CCC1([NH2+]CCNC(=O)C2CC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281004232 863461983 /nfs/dbraw/zinc/46/19/83/863461983.db2.gz KWGLHLNNCDELKO-ZIAGYGMSSA-N 1 0 352.435 0.539 10 5 FCBERO CC[N@@H+](CC(=O)N1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281831034 863793071 /nfs/dbraw/zinc/79/30/71/863793071.db2.gz RAESTHJPKNGTLZ-HUUCEWRRSA-N 1 0 352.435 0.444 10 5 FCBERO CN(CC(C)(C)C[NH2+]CC(=O)N1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282294828 864172797 /nfs/dbraw/zinc/17/27/97/864172797.db2.gz HQTOVPPDMGNCRK-ZIAGYGMSSA-N 1 0 354.451 0.738 10 5 FCBERO CCC[N@H+](C)CCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001288419072 864791290 /nfs/dbraw/zinc/79/12/90/864791290.db2.gz XNWFQSAYXVCVLH-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO C[NH+](C)CC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001292047544 865673901 /nfs/dbraw/zinc/67/39/01/865673901.db2.gz JRKBEUYGGRKYJQ-UHFFFAOYSA-N 1 0 370.431 0.331 10 5 FCBERO C[N@@H+]1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001293157574 865779444 /nfs/dbraw/zinc/77/94/44/865779444.db2.gz CNMWZWXVSRFWBC-LLVKDONJSA-N 1 0 356.404 0.084 10 5 FCBERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001293650102 865801058 /nfs/dbraw/zinc/80/10/58/865801058.db2.gz IJDZTSUBTCXWFQ-NSHDSACASA-N 1 0 370.431 0.656 10 5 FCBERO CC(C)(C)[NH2+]CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001357408408 868111538 /nfs/dbraw/zinc/11/15/38/868111538.db2.gz MWKSNYRKWUPJKO-UHFFFAOYSA-N 1 0 372.447 0.768 10 5 FCBERO CCN(CC[NH2+]CC(=O)Nc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320735162 868256938 /nfs/dbraw/zinc/25/69/38/868256938.db2.gz UJWAUJAKNUDURH-BXUZGUMPSA-N 1 0 352.366 0.868 10 5 FCBERO C[N@H+](CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)CC(C)(C)C ZINC001344209831 870769829 /nfs/dbraw/zinc/76/98/29/870769829.db2.gz XYXMQPGXLAJOHS-XJFOESAGSA-N 1 0 354.451 0.641 10 5 FCBERO Cc1nn(C)cc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001327634855 870984769 /nfs/dbraw/zinc/98/47/69/870984769.db2.gz MSOOHAFYKXUJLN-ZIAGYGMSSA-N 1 0 351.407 0.149 10 5 FCBERO C[NH+]1CCN(c2ncccc2CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000299276010 214689091 /nfs/dbraw/zinc/68/90/91/214689091.db2.gz QZQXCBGVVVFLNF-UHFFFAOYSA-N 1 0 371.401 0.848 10 5 FCBERO C[NH2+]C1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000262782266 209660469 /nfs/dbraw/zinc/66/04/69/209660469.db2.gz ZMUAMBXUQPKMPH-UHFFFAOYSA-N 1 0 357.388 0.739 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000367388194 216115315 /nfs/dbraw/zinc/11/53/15/216115315.db2.gz NRMNMUWXWZVTSC-UHFFFAOYSA-N 1 0 354.388 0.162 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN1C ZINC000276998489 212316366 /nfs/dbraw/zinc/31/63/66/212316366.db2.gz WRFMSHCHFNWWCW-NSHDSACASA-N 1 0 357.388 0.754 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000181917333 209124774 /nfs/dbraw/zinc/12/47/74/209124774.db2.gz DXPOITMGIXOWJT-LSDHHAIUSA-N 1 0 351.403 0.741 10 5 FCBERO [NH3+]CCCNC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419832140 246310737 /nfs/dbraw/zinc/31/07/37/246310737.db2.gz JGWWARWNBZBMSN-UHFFFAOYSA-N 1 0 350.375 0.430 10 5 FCBERO COc1ccc(C(=O)NCC(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000273074814 211664615 /nfs/dbraw/zinc/66/46/15/211664615.db2.gz OAPFWATVQHCVSY-UHFFFAOYSA-N 1 0 352.391 0.791 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000427092529 247500200 /nfs/dbraw/zinc/50/02/00/247500200.db2.gz KFUYDISRTMUHHW-OLZOCXBDSA-N 1 0 352.395 0.070 10 5 FCBERO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000452362477 249312565 /nfs/dbraw/zinc/31/25/65/249312565.db2.gz BKYWWJHYYSAJPM-GFCCVEGCSA-N 1 0 351.359 0.900 10 5 FCBERO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000470849722 250068559 /nfs/dbraw/zinc/06/85/59/250068559.db2.gz VVLGZZUYSAEOTF-UHFFFAOYSA-N 1 0 361.402 0.701 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000068430806 208027208 /nfs/dbraw/zinc/02/72/08/208027208.db2.gz GIWIFJCRTPPBPR-LBPRGKRZSA-N 1 0 351.407 0.811 10 5 FCBERO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000072630721 208038774 /nfs/dbraw/zinc/03/87/74/208038774.db2.gz JUYTXHLZHJGNCI-JKSUJKDBSA-N 1 0 359.386 0.890 10 5 FCBERO O=C(C[NH+]1CCCC1)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302001561 488886874 /nfs/dbraw/zinc/88/68/74/488886874.db2.gz QMIRLWOQSOQSEP-UHFFFAOYSA-N 1 0 359.390 0.382 10 5 FCBERO C[NH+](C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000075669261 488398316 /nfs/dbraw/zinc/39/83/16/488398316.db2.gz FUHMJCIJHSOYFY-UHFFFAOYSA-N 1 0 371.463 0.680 10 5 FCBERO C[C@H](O)CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246802236 488476118 /nfs/dbraw/zinc/47/61/18/488476118.db2.gz RIIXLWXSSZTLQV-OLZOCXBDSA-N 1 0 374.401 0.703 10 5 FCBERO Cn1cc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000569891140 491201341 /nfs/dbraw/zinc/20/13/41/491201341.db2.gz RQLPISDLPMPQHZ-LSDHHAIUSA-N 1 0 364.406 0.379 10 5 FCBERO C[C@@]1(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]C1 ZINC000262059176 488548723 /nfs/dbraw/zinc/54/87/23/488548723.db2.gz QZAZNKBCFRXTOV-MRXNPFEDSA-N 1 0 368.459 0.901 10 5 FCBERO C[NH2+]C1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262579278 488578729 /nfs/dbraw/zinc/57/87/29/488578729.db2.gz MXBRGPBSDJHFHB-UHFFFAOYSA-N 1 0 370.431 0.474 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000273035559 488626865 /nfs/dbraw/zinc/62/68/65/488626865.db2.gz GKBLSEBPAZSTII-CYBMUJFWSA-N 1 0 364.402 0.886 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000273579218 488659810 /nfs/dbraw/zinc/65/98/10/488659810.db2.gz PCMXAUKWALGHNN-JTQLQIEISA-N 1 0 359.404 1.000 10 5 FCBERO CC[N@@H+]1CC[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000264532837 488682718 /nfs/dbraw/zinc/68/27/18/488682718.db2.gz LIHONLUMZKIGEJ-NSHDSACASA-N 1 0 360.370 0.649 10 5 FCBERO COCC[N@@H+]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000264588414 488688077 /nfs/dbraw/zinc/68/80/77/488688077.db2.gz OZJRHTZUWNIBHX-UHFFFAOYSA-N 1 0 365.386 0.967 10 5 FCBERO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000158972187 488781821 /nfs/dbraw/zinc/78/18/21/488781821.db2.gz DYAYHVBYPKESNL-OAHLLOKOSA-N 1 0 357.432 0.861 10 5 FCBERO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174637350 488850520 /nfs/dbraw/zinc/85/05/20/488850520.db2.gz WVRCKWZCTRZADK-TZMCWYRMSA-N 1 0 353.423 0.793 10 5 FCBERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174784688 488851090 /nfs/dbraw/zinc/85/10/90/488851090.db2.gz SFRJDZPNRZEMAM-ZBFHGGJFSA-N 1 0 363.422 0.773 10 5 FCBERO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCN(C)CC1 ZINC000298462491 489328867 /nfs/dbraw/zinc/32/88/67/489328867.db2.gz YJUHNKJWDQAUKQ-AWEZNQCLSA-N 1 0 350.423 0.773 10 5 FCBERO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCN(C)CC1 ZINC000298462499 489329026 /nfs/dbraw/zinc/32/90/26/489329026.db2.gz YJUHNKJWDQAUKQ-CQSZACIVSA-N 1 0 350.423 0.773 10 5 FCBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000286266173 489374902 /nfs/dbraw/zinc/37/49/02/489374902.db2.gz FUQMTKCYEUICII-STQMWFEESA-N 1 0 351.407 0.962 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363219483 489439684 /nfs/dbraw/zinc/43/96/84/489439684.db2.gz SGHODSQASIUTEJ-CQSZACIVSA-N 1 0 363.418 0.435 10 5 FCBERO CCN1C(=O)N=NC1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000371289735 489474091 /nfs/dbraw/zinc/47/40/91/489474091.db2.gz OTQWWSDILAKBHI-CYBMUJFWSA-N 1 0 365.394 0.349 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459643465 489744015 /nfs/dbraw/zinc/74/40/15/489744015.db2.gz IFIMJOIQUHIDAN-INIZCTEOSA-N 1 0 353.375 0.751 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000418952570 489802721 /nfs/dbraw/zinc/80/27/21/489802721.db2.gz VRUBAWNADONZOC-BETUJISGSA-N 1 0 362.386 0.573 10 5 FCBERO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1)OCCO2 ZINC000420446676 489978041 /nfs/dbraw/zinc/97/80/41/489978041.db2.gz IBPQIIYPULQMCX-SNVBAGLBSA-N 1 0 357.388 0.786 10 5 FCBERO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cn2)CC1 ZINC000506357815 490081836 /nfs/dbraw/zinc/08/18/36/490081836.db2.gz SRLCEGCHTFANPW-UHFFFAOYSA-N 1 0 359.390 0.785 10 5 FCBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000497857478 490222598 /nfs/dbraw/zinc/22/25/98/490222598.db2.gz CZSRTIBHRPOFOR-LLVKDONJSA-N 1 0 352.395 0.001 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000521856825 490303290 /nfs/dbraw/zinc/30/32/90/490303290.db2.gz MXJBSOYBWXIOIO-UHFFFAOYSA-N 1 0 364.406 0.443 10 5 FCBERO CCOC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC12COC2 ZINC000451139578 490519942 /nfs/dbraw/zinc/51/99/42/490519942.db2.gz SCKOXHBNWBXDPD-ZDUSSCGKSA-N 1 0 351.359 0.268 10 5 FCBERO COCC[N@H+](C)CCCC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000501627849 490626259 /nfs/dbraw/zinc/62/62/59/490626259.db2.gz HRVDJDLCLPNWCJ-UHFFFAOYSA-N 1 0 368.438 0.783 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000518144519 490931054 /nfs/dbraw/zinc/93/10/54/490931054.db2.gz LCYGSFSQCUWUDR-CABCVRRESA-N 1 0 367.427 0.984 10 5 FCBERO C[N@@H+]1CC[C@@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000518395267 490939297 /nfs/dbraw/zinc/93/92/97/490939297.db2.gz HLMSTFLXZBQELL-LBPRGKRZSA-N 1 0 370.431 0.331 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000572493488 491373724 /nfs/dbraw/zinc/37/37/24/491373724.db2.gz MAWJRBAQHPTVAN-VHSXEESVSA-N 1 0 357.388 0.882 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000574191994 491480118 /nfs/dbraw/zinc/48/01/18/491480118.db2.gz QDPSMDHRGORXBV-JTQLQIEISA-N 1 0 357.310 0.386 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000578132142 491670627 /nfs/dbraw/zinc/67/06/27/491670627.db2.gz PLHSIIRGPZECQX-HNNXBMFYSA-N 1 0 371.459 0.805 10 5 FCBERO CS(=O)(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000579034556 491689698 /nfs/dbraw/zinc/68/96/98/491689698.db2.gz ZTVZEFXFYZQYRW-LBPRGKRZSA-N 1 0 356.404 0.547 10 5 FCBERO Cn1ccnc1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000580379420 491728466 /nfs/dbraw/zinc/72/84/66/491728466.db2.gz ZMKVTHQVBIURNX-UHFFFAOYSA-N 1 0 353.404 0.697 10 5 FCBERO O=C([C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCCC1 ZINC000581185959 491762882 /nfs/dbraw/zinc/76/28/82/491762882.db2.gz DVNXZAPWHJGULB-YCPHGPKFSA-N 1 0 365.434 0.923 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592081886 491831036 /nfs/dbraw/zinc/83/10/36/491831036.db2.gz CPAMSXPJXBMJHO-LBPRGKRZSA-N 1 0 370.431 0.644 10 5 FCBERO Cc1cc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])s1 ZINC000601343799 491906274 /nfs/dbraw/zinc/90/62/74/491906274.db2.gz RJIOZROXPITTML-NSHDSACASA-N 1 0 360.461 0.633 10 5 FCBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000595912260 491961249 /nfs/dbraw/zinc/96/12/49/491961249.db2.gz YABZITGHNGAFIL-CQSZACIVSA-N 1 0 374.449 0.804 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595966973 491966732 /nfs/dbraw/zinc/96/67/32/491966732.db2.gz URCRFKDHFWJUPE-UHFFFAOYSA-N 1 0 368.415 0.213 10 5 FCBERO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595985370 491968981 /nfs/dbraw/zinc/96/89/81/491968981.db2.gz IJAGRRDMKHLISL-LLVKDONJSA-N 1 0 374.405 0.470 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000596066029 491974189 /nfs/dbraw/zinc/97/41/89/491974189.db2.gz NVCKLXSZUCRGNE-ARFHVFGLSA-N 1 0 365.434 0.385 10 5 FCBERO CN(CCC[NH+](C)C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000596425864 491985036 /nfs/dbraw/zinc/98/50/36/491985036.db2.gz XPLQNVSSEZZXML-UHFFFAOYSA-N 1 0 359.452 0.538 10 5 FCBERO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000596541513 491989337 /nfs/dbraw/zinc/98/93/37/491989337.db2.gz YOTHQQKIMINTHY-CQSZACIVSA-N 1 0 370.431 0.278 10 5 FCBERO CN(CCC[NH+](C)C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597989742 492076351 /nfs/dbraw/zinc/07/63/51/492076351.db2.gz IRTLPIBICNCPHA-UHFFFAOYSA-N 1 0 352.391 0.937 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598163984 492086751 /nfs/dbraw/zinc/08/67/51/492086751.db2.gz RTFSWZQAUUEGJS-UHFFFAOYSA-N 1 0 370.431 0.283 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000598163491 492086899 /nfs/dbraw/zinc/08/68/99/492086899.db2.gz PVJMOHUOUWWMRY-UHFFFAOYSA-N 1 0 350.375 0.353 10 5 FCBERO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598716213 492115573 /nfs/dbraw/zinc/11/55/73/492115573.db2.gz AXRUNCXTUTZBKD-UHFFFAOYSA-N 1 0 370.431 0.264 10 5 FCBERO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCC2COC2)c([N+](=O)[O-])c1 ZINC000599176429 492139508 /nfs/dbraw/zinc/13/95/08/492139508.db2.gz VJRAGGGHVHVPGO-UHFFFAOYSA-N 1 0 372.447 0.883 10 5 FCBERO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212294 492142976 /nfs/dbraw/zinc/14/29/76/492142976.db2.gz CJVOUSYQARCDDR-RYUDHWBXSA-N 1 0 359.452 0.975 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000599230502 492146193 /nfs/dbraw/zinc/14/61/93/492146193.db2.gz PIFQGNKXAQEEDA-GFCCVEGCSA-N 1 0 357.436 0.967 10 5 FCBERO C[C@H]1CC[C@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599916788 492217393 /nfs/dbraw/zinc/21/73/93/492217393.db2.gz DNDYTKGYPNXRGP-RYUDHWBXSA-N 1 0 370.431 0.808 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599100865 546515322 /nfs/dbraw/zinc/51/53/22/546515322.db2.gz IXRQLGFDMDPXRX-AWEZNQCLSA-N 1 0 371.415 1.000 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592387397 546949329 /nfs/dbraw/zinc/94/93/29/546949329.db2.gz XTKJSGNNAJITGT-SNVBAGLBSA-N 1 0 357.388 0.802 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000592389800 546949426 /nfs/dbraw/zinc/94/94/26/546949426.db2.gz QQRGOTLJMQQKCZ-IUCAKERBSA-N 1 0 361.351 0.360 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000592873601 546959642 /nfs/dbraw/zinc/95/96/42/546959642.db2.gz OPYUQPQGGNXYBA-NSHDSACASA-N 1 0 352.395 0.105 10 5 FCBERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593568566 546977310 /nfs/dbraw/zinc/97/73/10/546977310.db2.gz UQIQUVIGCPAYOJ-BNOWGMLFSA-N 1 0 370.431 0.862 10 5 FCBERO CCO[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C[NH3+] ZINC000593736640 546990980 /nfs/dbraw/zinc/99/09/80/546990980.db2.gz CWHKFCASTYZHBJ-IAQYHMDHSA-N 1 0 352.391 0.838 10 5 FCBERO CCO[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C[NH3+] ZINC000593916115 546995500 /nfs/dbraw/zinc/99/55/00/546995500.db2.gz BAIIVFUIBVIGTG-MEBBXXQBSA-N 1 0 351.359 0.802 10 5 FCBERO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594026695 546996039 /nfs/dbraw/zinc/99/60/39/546996039.db2.gz IHPLBKISCXTPTF-NWDGAFQWSA-N 1 0 354.794 0.938 10 5 FCBERO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000594450699 546998620 /nfs/dbraw/zinc/99/86/20/546998620.db2.gz RIAHDVOHFAGRAU-APPZFPTMSA-N 1 0 364.280 0.798 10 5 FCBERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594774513 547008969 /nfs/dbraw/zinc/00/89/69/547008969.db2.gz FVANTBMVDVCILP-DYEKYZERSA-N 1 0 370.431 0.862 10 5 FCBERO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594822273 547014210 /nfs/dbraw/zinc/01/42/10/547014210.db2.gz VEXDWWJSSNNDHR-UHFFFAOYSA-N 1 0 350.466 0.818 10 5 FCBERO C[C@]1(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000262128820 663514688 /nfs/dbraw/zinc/51/46/88/663514688.db2.gz XZMXWZYXXMZWOT-INIZCTEOSA-N 1 0 368.459 0.901 10 5 FCBERO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000775809327 668231943 /nfs/dbraw/zinc/23/19/43/668231943.db2.gz DHIHKZZLMMHICX-OBJOEFQTSA-N 1 0 355.395 0.609 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000793956896 668972278 /nfs/dbraw/zinc/97/22/78/668972278.db2.gz QJINZNKLIUBJSS-NEPJUHHUSA-N 1 0 368.415 0.266 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000808023973 669532135 /nfs/dbraw/zinc/53/21/35/669532135.db2.gz GDKAUNAATDADRV-NSHDSACASA-N 1 0 362.415 0.719 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC000845859470 671043994 /nfs/dbraw/zinc/04/39/94/671043994.db2.gz AJTDALPGHBMTPX-CQSZACIVSA-N 1 0 370.431 0.912 10 5 FCBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846363358 671104969 /nfs/dbraw/zinc/10/49/69/671104969.db2.gz NMKWQDQTDWSWIB-UHFFFAOYSA-N 1 0 352.366 0.888 10 5 FCBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000848306275 671266619 /nfs/dbraw/zinc/26/66/19/671266619.db2.gz CTKXVMWYJVUXHW-NWDGAFQWSA-N 1 0 350.331 0.702 10 5 FCBERO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853965284 671562232 /nfs/dbraw/zinc/56/22/32/671562232.db2.gz GKSBZHJKLRBDPQ-CYBMUJFWSA-N 1 0 370.431 0.278 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 ZINC000853990937 671563106 /nfs/dbraw/zinc/56/31/06/671563106.db2.gz YDXOJFNHHPXFNX-CYBMUJFWSA-N 1 0 372.447 0.789 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000858643244 671771584 /nfs/dbraw/zinc/77/15/84/671771584.db2.gz YHPCKZLIWNJSEX-GXSJLCMTSA-N 1 0 370.387 0.580 10 5 FCBERO COCC[N@H+](C)CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503884 672132033 /nfs/dbraw/zinc/13/20/33/672132033.db2.gz TXVANSPEAZIOBQ-INIZCTEOSA-N 1 0 350.375 0.940 10 5 FCBERO C[N@@H+](CC(=O)NCC(C)(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001481513411 1186212614 /nfs/dbraw/zinc/21/26/14/1186212614.db2.gz DKDBUSLULFVNOB-HUUCEWRRSA-N 1 0 368.478 0.984 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCC(CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001745755187 1187503920 /nfs/dbraw/zinc/50/39/20/1187503920.db2.gz IUGQMCTUVZIZAF-HUUCEWRRSA-N 1 0 354.451 0.690 10 5 FCBERO Cc1nn(CCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000592875068 1196585596 /nfs/dbraw/zinc/58/55/96/1196585596.db2.gz VVWMHGHFJRHQPT-CYBMUJFWSA-N 1 0 366.422 0.377 10 5 FCBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052406 1196605334 /nfs/dbraw/zinc/60/53/34/1196605334.db2.gz QZOCLXFOAJDBSB-CYBMUJFWSA-N 1 0 363.418 0.628 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000592431667 1196621340 /nfs/dbraw/zinc/62/13/40/1196621340.db2.gz WWOXHFOGUOOBRG-OCCSQVGLSA-N 1 0 370.356 0.871 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000593909212 1196838318 /nfs/dbraw/zinc/83/83/18/1196838318.db2.gz IFYNFIZPXLXKDT-KSSFIOAISA-N 1 0 374.397 0.115 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025464 1196846777 /nfs/dbraw/zinc/84/67/77/1196846777.db2.gz MXSHSFYUDOUWMN-UONOGXRCSA-N 1 0 362.386 0.644 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027916 1196847505 /nfs/dbraw/zinc/84/75/05/1196847505.db2.gz VEJYWHILEPVNFL-UONOGXRCSA-N 1 0 364.402 0.683 10 5 FCBERO COc1cc(OC)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000818964771 1203145621 /nfs/dbraw/zinc/14/56/21/1203145621.db2.gz GVMIUICEHYGXKT-LBPRGKRZSA-N 1 0 366.374 0.968 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000846320995 1204613456 /nfs/dbraw/zinc/61/34/56/1204613456.db2.gz DJFHPBCOTUJLBC-ZWNOBZJWSA-N 1 0 368.365 0.803 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001175127522 1206300727 /nfs/dbraw/zinc/30/07/27/1206300727.db2.gz HIETXTBNWNENJY-KRWDZBQOSA-N 1 0 359.386 0.919 10 5 FCBERO NC(=O)Cc1cccc2c1CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001175276970 1206302675 /nfs/dbraw/zinc/30/26/75/1206302675.db2.gz NGXQDDJIXYRLMI-OAHLLOKOSA-N 1 0 359.386 0.238 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001198755440 1208289010 /nfs/dbraw/zinc/28/90/10/1208289010.db2.gz YUHFXKFRRQNAQB-QWHCGFSZSA-N 1 0 367.402 0.855 10 5 FCBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000863577132 1209945564 /nfs/dbraw/zinc/94/55/64/1209945564.db2.gz YIEQPJCRZBONTI-HIFRSBDPSA-N 1 0 369.385 0.934 10 5 FCBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000866555894 1209998728 /nfs/dbraw/zinc/99/87/28/1209998728.db2.gz VKQVHOOCDFBKHO-YVEFUNNKSA-N 1 0 367.377 0.882 10 5 FCBERO CC1CCN(C(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001275668853 1211270199 /nfs/dbraw/zinc/27/01/99/1211270199.db2.gz XCLIUWPXEPIJJL-HUUCEWRRSA-N 1 0 368.478 0.984 10 5 FCBERO CC(C)n1nccc1NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001491017352 1220070955 /nfs/dbraw/zinc/07/09/55/1220070955.db2.gz IFJZPDKTIXOVFX-YVECIDJPSA-N 1 0 364.406 0.305 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC001118330758 1221761750 /nfs/dbraw/zinc/76/17/50/1221761750.db2.gz YOSHLAJYMPECLW-UKRRQHHQSA-N 1 0 364.402 0.076 10 5 FCBERO CN(C)c1cc[nH+]cc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941011960 1246429198 /nfs/dbraw/zinc/42/91/98/1246429198.db2.gz XBIKUHDDUZQYDX-IUODEOHRSA-N 1 0 361.402 0.487 10 5 FCBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C2 ZINC001331574592 1266240335 /nfs/dbraw/zinc/24/03/35/1266240335.db2.gz YDZXGJRNBIQRBD-HDICACEKSA-N 1 0 360.414 0.712 10 5 FCBERO CN(C)C(=O)c1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001264985218 1260408967 /nfs/dbraw/zinc/40/89/67/1260408967.db2.gz QTZRSTAAHNCKDM-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO COCCN(CC1CC[NH+](C)CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001332169698 1266348437 /nfs/dbraw/zinc/34/84/37/1266348437.db2.gz CUZLOMLYVDBMCC-UHFFFAOYSA-N 1 0 366.418 0.573 10 5 FCBERO CC(C)CNC(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001279352461 1260847074 /nfs/dbraw/zinc/84/70/74/1260847074.db2.gz FVLYUINNHJYLMB-HUUCEWRRSA-N 1 0 366.462 0.785 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001473809564 1261499934 /nfs/dbraw/zinc/49/99/34/1261499934.db2.gz OKCRXYFVUXGQON-CQSZACIVSA-N 1 0 370.402 0.170 10 5 FCBERO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298083585 1262910048 /nfs/dbraw/zinc/91/00/48/1262910048.db2.gz LIIPUYWNXOQIBU-CQSZACIVSA-N 1 0 374.401 0.752 10 5 FCBERO Cc1ccc(CNC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001317108664 1263502955 /nfs/dbraw/zinc/50/29/55/1263502955.db2.gz DIVSMLMDUWOABY-QKPAOTATSA-N 1 0 360.414 0.513 10 5 FCBERO Cc1cc(NC(=O)C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)on1 ZINC001318632770 1263595172 /nfs/dbraw/zinc/59/51/72/1263595172.db2.gz OENJCDCOSKRQDE-VXGBXAGGSA-N 1 0 365.390 0.605 10 5 FCBERO NC(=O)c1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1 ZINC001495157689 1263800881 /nfs/dbraw/zinc/80/08/81/1263800881.db2.gz BQGWLASFRBWEAN-HUUCEWRRSA-N 1 0 360.414 0.969 10 5 FCBERO COc1cncc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001495517094 1263822910 /nfs/dbraw/zinc/82/29/10/1263822910.db2.gz ICFSUFZBXTYCOE-HUUCEWRRSA-N 1 0 363.418 0.869 10 5 FCBERO CCn1nnc(C)c1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001505811928 1264280555 /nfs/dbraw/zinc/28/05/55/1264280555.db2.gz YVKYXBRJGCFDAN-CHWSQXEVSA-N 1 0 352.439 0.846 10 5 FCBERO O=Cc1ccc(OCC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC001324523128 1264663373 /nfs/dbraw/zinc/66/33/73/1264663373.db2.gz BMRDOCKJUZMZBG-AWEZNQCLSA-N 1 0 365.386 0.749 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001334424735 1266993424 /nfs/dbraw/zinc/99/34/24/1266993424.db2.gz SSBGIXUTMKUBOS-YPMHNXCESA-N 1 0 352.416 0.453 10 5 FCBERO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001544139214 1267571224 /nfs/dbraw/zinc/57/12/24/1267571224.db2.gz KBQQMBNASBFWAE-QMTHXVAHSA-N 1 0 351.363 0.867 10 5 FCBERO CC(C)N(CCN(C)C(=O)Cc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001338731644 1268065895 /nfs/dbraw/zinc/06/58/95/1268065895.db2.gz WDARCNRLCGCKRK-ZIAGYGMSSA-N 1 0 351.407 0.323 10 5 FCBERO C[NH+](C)CCn1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC001557935754 1268992611 /nfs/dbraw/zinc/99/26/11/1268992611.db2.gz BKQYHKZHGUMTKF-QGZVFWFLSA-N 1 0 361.402 0.990 10 5 FCBERO CONC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001560124545 1269190102 /nfs/dbraw/zinc/19/01/02/1269190102.db2.gz YIYSMLKBLLYNBJ-ZDUSSCGKSA-N 1 0 353.375 0.724 10 5 FCBERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001566989854 1269673323 /nfs/dbraw/zinc/67/33/23/1269673323.db2.gz SFXTXZPZWISSHH-RYUDHWBXSA-N 1 0 370.431 0.424 10 5 FCBERO O=C(CNC(=O)CNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001569057076 1269760885 /nfs/dbraw/zinc/76/08/85/1269760885.db2.gz BHNWBXHISJZGTD-UHFFFAOYSA-N 1 0 363.418 0.725 10 5 FCBERO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001570585329 1269903044 /nfs/dbraw/zinc/90/30/44/1269903044.db2.gz NYPAWOKAYNAWSZ-UHFFFAOYSA-N 1 0 353.423 0.883 10 5 FCBERO C[N@H+](CC(=O)NCC(F)(F)F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001571330342 1269926708 /nfs/dbraw/zinc/92/67/08/1269926708.db2.gz HVGBOXLOKGEZBV-GHMZBOCLSA-N 1 0 366.340 0.253 10 5 FCBERO CN(C(=O)CC[NH+]1CCCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001572163023 1269999328 /nfs/dbraw/zinc/99/93/28/1269999328.db2.gz IAYNWEZVUTWMQR-HZPDHXFCSA-N 1 0 366.462 0.977 10 5 FCBERO CN(CC1CC1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001714493184 1287322900 /nfs/dbraw/zinc/32/29/00/1287322900.db2.gz KKAKOFYNHSDJQW-ZIAGYGMSSA-N 1 0 352.435 0.539 10 5 FCBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001581082364 1279342340 /nfs/dbraw/zinc/34/23/40/1279342340.db2.gz KONRHJLNJYSPER-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(=O)NC1CC1 ZINC001715483367 1287352071 /nfs/dbraw/zinc/35/20/71/1287352071.db2.gz QYJUHJOAEDJGAQ-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO CN(CCC[N@H+](C)CC(=O)N1CCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717207066 1287411555 /nfs/dbraw/zinc/41/15/55/1287411555.db2.gz VXPNTVBEJHOWFB-HUUCEWRRSA-N 1 0 354.451 0.835 10 5 FCBERO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001603646814 1287456544 /nfs/dbraw/zinc/45/65/44/1287456544.db2.gz OICNFRULOJUPIV-DZGCQCFKSA-N 1 0 364.402 0.332 10 5 FCBERO CN(CC[N@H+](C)C1CC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001633208768 1282235554 /nfs/dbraw/zinc/23/55/54/1282235554.db2.gz ZVRZBPIQMFKVEB-UHFFFAOYSA-N 1 0 370.431 0.426 10 5 FCBERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001634680788 1282344549 /nfs/dbraw/zinc/34/45/49/1282344549.db2.gz CQPHFRZTPZHRKK-OKILXGFUSA-N 1 0 350.423 0.466 10 5 FCBERO Cc1cc(C(=O)NCC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001587975726 1282390702 /nfs/dbraw/zinc/39/07/02/1282390702.db2.gz LIKCALRUZHTWLW-QGZVFWFLSA-N 1 0 364.402 0.158 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001588184564 1282406982 /nfs/dbraw/zinc/40/69/82/1282406982.db2.gz HQZPSSOVZJVIPP-UHFFFAOYSA-N 1 0 351.407 0.859 10 5 FCBERO COc1ccc(C(=O)NCC(=O)N[C@H]2C[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC001639135122 1282752454 /nfs/dbraw/zinc/75/24/54/1282752454.db2.gz FEYCXDQAVOJLIK-AWEZNQCLSA-N 1 0 364.402 0.790 10 5 FCBERO CC[NH+](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001705312327 1286377379 /nfs/dbraw/zinc/37/73/79/1286377379.db2.gz TXJMELZLEFXBAY-LXTVHRRPSA-N 1 0 352.435 0.585 10 5 FCBERO Cc1csc(NC(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001707058164 1286435518 /nfs/dbraw/zinc/43/55/18/1286435518.db2.gz CIRLAHCKOASYLQ-WRWGMCAJSA-N 1 0 367.431 0.540 10 5 FCBERO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1sccc1C[NH+](C)C ZINC001721079110 1288286901 /nfs/dbraw/zinc/28/69/01/1288286901.db2.gz HMACEYLIQVJMHQ-VXGBXAGGSA-N 1 0 354.432 0.663 10 5 FCBERO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001726346414 1288504057 /nfs/dbraw/zinc/50/40/57/1288504057.db2.gz SVFKQVCNKAPXHU-ZIAGYGMSSA-N 1 0 352.435 0.443 10 5 FCBERO CCCn1nccc1NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001731476996 1288557529 /nfs/dbraw/zinc/55/75/29/1288557529.db2.gz ZAIZCGDFYKHMET-YVECIDJPSA-N 1 0 364.406 0.134 10 5 FCBERO COCC[N@H+](Cc1cncn1C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733280231 1288607189 /nfs/dbraw/zinc/60/71/89/1288607189.db2.gz KKSHQFYKQZNAAZ-HZPDHXFCSA-N 1 0 365.434 0.525 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)NCc1cccs1 ZINC001733716444 1288626119 /nfs/dbraw/zinc/62/61/19/1288626119.db2.gz KKDYQHDSXVBZKO-CHWSQXEVSA-N 1 0 366.443 0.658 10 5 FCBERO CCC1([NH2+]Cc2ccn(C)c(=O)c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733803268 1288629971 /nfs/dbraw/zinc/62/99/71/1288629971.db2.gz PWIVZZDQYUPXCW-HUUCEWRRSA-N 1 0 362.430 0.911 10 5 FCBERO C[NH+](C)CCCCC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001735521949 1288756382 /nfs/dbraw/zinc/75/63/82/1288756382.db2.gz LZWGXLWKDMHXFE-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO CC[NH+](CC)CC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001738208793 1289643668 /nfs/dbraw/zinc/64/36/68/1289643668.db2.gz DSFQFUCWZCSMAK-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC001617651042 1289854738 /nfs/dbraw/zinc/85/47/38/1289854738.db2.gz UQFKLGJYYDUBFF-WCFLWFBJSA-N 1 0 360.370 0.959 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC001617651041 1289855198 /nfs/dbraw/zinc/85/51/98/1289855198.db2.gz UQFKLGJYYDUBFF-UHTWSYAYSA-N 1 0 360.370 0.959 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC001618398645 1289903051 /nfs/dbraw/zinc/90/30/51/1289903051.db2.gz XAIAYOGWFIEQCJ-CYBMUJFWSA-N 1 0 362.386 0.921 10 5 FCBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001627692048 1290476985 /nfs/dbraw/zinc/47/69/85/1290476985.db2.gz DYBLZPUJJUCKNJ-HNNXBMFYSA-N 1 0 363.418 0.971 10 5 FCBERO CCN1CC[NH+](CCCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001628248861 1290519145 /nfs/dbraw/zinc/51/91/45/1290519145.db2.gz DMEPCLVOGIEIFU-UHFFFAOYSA-N 1 0 350.423 0.720 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC001644124089 1290941296 /nfs/dbraw/zinc/94/12/96/1290941296.db2.gz WUBBEAMVWRLFKF-INIZCTEOSA-N 1 0 369.443 0.818 10 5 FCBERO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001644702766 1290974845 /nfs/dbraw/zinc/97/48/45/1290974845.db2.gz QWWJTGUONGXPBI-LSDHHAIUSA-N 1 0 359.386 0.612 10 5 FCBERO CN(C[C@H](O)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC001648043774 1291098953 /nfs/dbraw/zinc/09/89/53/1291098953.db2.gz USZKCMYSSAMYMZ-CYBMUJFWSA-N 1 0 357.411 0.951 10 5 FCBERO NS(=O)(=O)c1cccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001651494970 1291225141 /nfs/dbraw/zinc/22/51/41/1291225141.db2.gz HJVZEVACPZSGAT-VXGBXAGGSA-N 1 0 370.431 0.278 10 5 FCBERO CNS(=O)(=O)c1ccc(N2CC([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001652228749 1291268600 /nfs/dbraw/zinc/26/86/00/1291268600.db2.gz BUPYUMMVFBCKAV-UHFFFAOYSA-N 1 0 370.431 0.460 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001653333258 1291336699 /nfs/dbraw/zinc/33/66/99/1291336699.db2.gz MPKBPQOTFFKCKI-CHWSQXEVSA-N 1 0 351.407 0.942 10 5 FCBERO NC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C(N)=O ZINC001654229310 1291399874 /nfs/dbraw/zinc/39/98/74/1291399874.db2.gz KINBAQJFOPTIIG-AOOOYVTPSA-N 1 0 360.292 0.632 10 5 FCBERO C[C@@](CO)(Cc1ccccc1F)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654936559 1291445607 /nfs/dbraw/zinc/44/56/07/1291445607.db2.gz WADVUURURHGSBR-HOCLYGCPSA-N 1 0 352.366 0.875 10 5 FCBERO COC(=O)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001660611730 1291665876 /nfs/dbraw/zinc/66/58/76/1291665876.db2.gz IPAIMYPUAWHCPN-TXEJJXNPSA-N 1 0 352.343 0.868 10 5 FCBERO CCCNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001276902159 861679626 /nfs/dbraw/zinc/67/96/26/861679626.db2.gz SXZGIJOUEKDSPR-KFZJALRRSA-N 1 0 352.435 0.348 10 5 FCBERO C[NH+](C)C1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001116960872 846820099 /nfs/dbraw/zinc/82/00/99/846820099.db2.gz JCUHAKLFRMRSGX-UHFFFAOYSA-N 1 0 356.404 0.408 10 5 FCBERO CNS(=O)(=O)c1ccc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001164261734 850400362 /nfs/dbraw/zinc/40/03/62/850400362.db2.gz YXWVLUUCJSRKMK-ABAIWWIYSA-N 1 0 354.432 0.891 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC001170847508 850667980 /nfs/dbraw/zinc/66/79/80/850667980.db2.gz SBLAQHCPKODDRF-ZDUSSCGKSA-N 1 0 371.463 0.894 10 5 FCBERO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001176467277 850789180 /nfs/dbraw/zinc/78/91/80/850789180.db2.gz OQYFYYNLHUPEHZ-AWEZNQCLSA-N 1 0 351.407 0.941 10 5 FCBERO COC(=O)[C@@H]1C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001176902480 850813805 /nfs/dbraw/zinc/81/38/05/850813805.db2.gz MJIOIFCSWDLDJC-MCIONIFRSA-N 1 0 352.343 0.522 10 5 FCBERO CCn1nncc1C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001278608030 862384615 /nfs/dbraw/zinc/38/46/15/862384615.db2.gz UOSYKAVZKCMKIH-ZIAGYGMSSA-N 1 0 350.423 0.682 10 5 FCBERO CC(C)N(C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C(C)C ZINC001263861794 859221161 /nfs/dbraw/zinc/22/11/61/859221161.db2.gz NGLOBFZKKYARPO-KBUPBQIOSA-N 1 0 354.451 0.781 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CCCCC1 ZINC001263861930 859221584 /nfs/dbraw/zinc/22/15/84/859221584.db2.gz SJKBCGGEAKWHMR-NMFUWQPSSA-N 1 0 352.435 0.585 10 5 FCBERO CCN(C(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001266181742 859473397 /nfs/dbraw/zinc/47/33/97/859473397.db2.gz OJCZUOCPYHHJMK-HUUCEWRRSA-N 1 0 352.435 0.585 10 5 FCBERO C[NH+](C)CCCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001288736007 864800606 /nfs/dbraw/zinc/80/06/06/864800606.db2.gz BTKMCVNAXRCIME-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC001293652123 865800296 /nfs/dbraw/zinc/80/02/96/865800296.db2.gz ZPEAPVVOMXWDTO-JTQLQIEISA-N 1 0 372.447 0.948 10 5 FCBERO C[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC001293987614 865815943 /nfs/dbraw/zinc/81/59/43/865815943.db2.gz MBULTUQOEXYZNW-UHFFFAOYSA-N 1 0 369.443 0.866 10 5 FCBERO C[NH+](C)C1CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001294377166 865831938 /nfs/dbraw/zinc/83/19/38/865831938.db2.gz STGOWMSODHKXSC-INIZCTEOSA-N 1 0 350.419 0.770 10 5 FCBERO CCOC(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2CO)cc([N+](=O)[O-])c1 ZINC001301605543 866274004 /nfs/dbraw/zinc/27/40/04/866274004.db2.gz QBWXZIKHCKUOBI-CQSZACIVSA-N 1 0 351.359 0.520 10 5 FCBERO CC[NH+]1CCN(C2CN(C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])C2)CC1 ZINC001353086852 867343142 /nfs/dbraw/zinc/34/31/42/867343142.db2.gz OCGVHUOTZZXONM-UHFFFAOYSA-N 1 0 350.423 0.903 10 5 FCBERO CN(CC[NH2+]CC(=O)N(C)CC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317585814 867542048 /nfs/dbraw/zinc/54/20/48/867542048.db2.gz WEBUEYZUVUTAOD-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO O=C(CCC[NH+]1CCCCC1)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001356813412 868051037 /nfs/dbraw/zinc/05/10/37/868051037.db2.gz FZSSLDWDMDKFGX-HUUCEWRRSA-N 1 0 352.435 0.492 10 5 FCBERO CC[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2C[C@H]2CCOC2)CC1 ZINC001344483494 870903487 /nfs/dbraw/zinc/90/34/87/870903487.db2.gz ASTXJGIGDHRGSP-CQSZACIVSA-N 1 0 352.439 0.666 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001330008747 872417802 /nfs/dbraw/zinc/41/78/02/872417802.db2.gz NMCKHLHPVIRBQI-LBPRGKRZSA-N 1 0 352.391 0.466 10 5 FCBERO C[C@@H](CO)[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265858640 210236631 /nfs/dbraw/zinc/23/66/31/210236631.db2.gz RJQCYBMEFAMYDL-RYUDHWBXSA-N 1 0 374.463 0.864 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000361450882 215394292 /nfs/dbraw/zinc/39/42/92/215394292.db2.gz QQIDPZHPRFWYSB-HOCLYGCPSA-N 1 0 353.423 0.339 10 5 FCBERO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262295708 209563234 /nfs/dbraw/zinc/56/32/34/209563234.db2.gz PBMPRKZEUZCFHG-CABZTGNLSA-N 1 0 358.192 0.596 10 5 FCBERO Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000276226624 212189273 /nfs/dbraw/zinc/18/92/73/212189273.db2.gz MUPGYSNMMGCRKD-CQSZACIVSA-N 1 0 366.418 0.538 10 5 FCBERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000452362478 249311899 /nfs/dbraw/zinc/31/18/99/249311899.db2.gz BKYWWJHYYSAJPM-LBPRGKRZSA-N 1 0 351.359 0.900 10 5 FCBERO CC[N@H+](CCO)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000470589809 250051485 /nfs/dbraw/zinc/05/14/85/250051485.db2.gz CETIHTZWBODALC-GFCCVEGCSA-N 1 0 368.390 0.223 10 5 FCBERO CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000470589810 250050479 /nfs/dbraw/zinc/05/04/79/250050479.db2.gz CETIHTZWBODALC-LBPRGKRZSA-N 1 0 368.390 0.223 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471386751 250100737 /nfs/dbraw/zinc/10/07/37/250100737.db2.gz WSFPHASAJUQTIE-GASCZTMLSA-N 1 0 356.386 0.777 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000072562173 208036739 /nfs/dbraw/zinc/03/67/39/208036739.db2.gz CLMVVPQVROVQOE-ATGSNQNLSA-N 1 0 352.391 0.958 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000107283704 208239981 /nfs/dbraw/zinc/23/99/81/208239981.db2.gz MCXGBVAVURDOQG-CQSZACIVSA-N 1 0 350.423 0.420 10 5 FCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000119704408 208368337 /nfs/dbraw/zinc/36/83/37/208368337.db2.gz ZLXIMLWVQDTECF-ZDUSSCGKSA-N 1 0 350.423 0.570 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000278332562 488868821 /nfs/dbraw/zinc/86/88/21/488868821.db2.gz GLLTUKHYUAIJJS-PHIMTYICSA-N 1 0 369.399 0.564 10 5 FCBERO Cc1c(CO)cc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000301685222 488883605 /nfs/dbraw/zinc/88/36/05/488883605.db2.gz WQYXMNIRJGCVNA-STQMWFEESA-N 1 0 352.347 0.823 10 5 FCBERO COC(=O)CNC(=O)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000364300054 488945823 /nfs/dbraw/zinc/94/58/23/488945823.db2.gz AIXVWQDOEJJLNX-UHFFFAOYSA-N 1 0 362.386 0.782 10 5 FCBERO Cc1cc(C)c(S(=O)(=O)N2CCN(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249145427 488506605 /nfs/dbraw/zinc/50/66/05/488506605.db2.gz ZYLGMQWNZJJFIG-ZDUSSCGKSA-N 1 0 357.432 0.899 10 5 FCBERO COCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC000262205279 488556726 /nfs/dbraw/zinc/55/67/26/488556726.db2.gz KZJYLNMNSHTKJZ-UHFFFAOYSA-N 1 0 373.431 0.898 10 5 FCBERO CCC[C@H]([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262255266 488559608 /nfs/dbraw/zinc/55/96/08/488559608.db2.gz DYDLXPDNFMSKCE-NSHDSACASA-N 1 0 358.420 0.654 10 5 FCBERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262755114 488590573 /nfs/dbraw/zinc/59/05/73/488590573.db2.gz HQNFHTIVWABKNQ-NXEZZACHSA-N 1 0 357.388 0.642 10 5 FCBERO COc1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000263210861 488606655 /nfs/dbraw/zinc/60/66/55/488606655.db2.gz KGTUZEMFKUNZGA-JQWIXIFHSA-N 1 0 361.345 0.917 10 5 FCBERO COCCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000273051957 488628045 /nfs/dbraw/zinc/62/80/45/488628045.db2.gz GHOCIMNACWWOQE-CYBMUJFWSA-N 1 0 372.447 0.183 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH+](C)CC1 ZINC000273186252 488636678 /nfs/dbraw/zinc/63/66/78/488636678.db2.gz QQJVCWMUOUAJKI-UHFFFAOYSA-N 1 0 357.388 0.754 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000264415217 488671665 /nfs/dbraw/zinc/67/16/65/488671665.db2.gz JYDIIICVZJOTCE-LBPRGKRZSA-N 1 0 372.447 0.518 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152470365 488718422 /nfs/dbraw/zinc/71/84/22/488718422.db2.gz JEFKUXBCJYURIZ-HNNXBMFYSA-N 1 0 361.402 0.677 10 5 FCBERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000160401568 488791112 /nfs/dbraw/zinc/79/11/12/488791112.db2.gz PORXFLWPLHKYCR-CQSZACIVSA-N 1 0 374.401 0.752 10 5 FCBERO CC[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000161480629 488797406 /nfs/dbraw/zinc/79/74/06/488797406.db2.gz MJFOQUXBMJUDQI-ZDUSSCGKSA-N 1 0 354.411 0.544 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000170953738 488818569 /nfs/dbraw/zinc/81/85/69/488818569.db2.gz XIKSKUNNNQSBFM-CQSZACIVSA-N 1 0 350.423 0.420 10 5 FCBERO O=C(CN1CC[C@H](N2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000173985961 488846774 /nfs/dbraw/zinc/84/67/74/488846774.db2.gz BIHICJHRZWQYRY-INIZCTEOSA-N 1 0 360.414 0.890 10 5 FCBERO O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423303292 489513397 /nfs/dbraw/zinc/51/33/97/489513397.db2.gz IWAYAHVJLOJJOW-GASCZTMLSA-N 1 0 358.398 0.832 10 5 FCBERO Cc1cc(S(=O)(=O)N2CCN(CCO)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416494061 489601027 /nfs/dbraw/zinc/60/10/27/489601027.db2.gz HNSSNIZJBCTOTO-CYBMUJFWSA-N 1 0 357.432 0.899 10 5 FCBERO CC[NH+]1CCN(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000427806532 489621917 /nfs/dbraw/zinc/62/19/17/489621917.db2.gz RMNRHBNJJQWYKD-UHFFFAOYSA-N 1 0 350.423 0.592 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@](O)(CO)C1 ZINC000459638010 489743692 /nfs/dbraw/zinc/74/36/92/489743692.db2.gz SSMIKSOHKNERPM-MRXNPFEDSA-N 1 0 351.359 0.712 10 5 FCBERO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000420977318 490038409 /nfs/dbraw/zinc/03/84/09/490038409.db2.gz QKUCCZUEWHQCJG-LLVKDONJSA-N 1 0 350.375 1.000 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444723135 490110464 /nfs/dbraw/zinc/11/04/64/490110464.db2.gz UQACBCPJNOGSFG-YUSALJHKSA-N 1 0 352.313 0.787 10 5 FCBERO COc1c[nH+]ccc1N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000483225824 490296001 /nfs/dbraw/zinc/29/60/01/490296001.db2.gz HVLCXFAKVMCOMH-AWEZNQCLSA-N 1 0 362.390 0.378 10 5 FCBERO O=C(NCCNc1cc[nH+]cc1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000534524960 490375115 /nfs/dbraw/zinc/37/51/15/490375115.db2.gz QWOUSHJSUGVRKO-UHFFFAOYSA-N 1 0 353.342 0.834 10 5 FCBERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000509195331 490401165 /nfs/dbraw/zinc/40/11/65/490401165.db2.gz KDDOKENBBFXNLG-HNNXBMFYSA-N 1 0 364.402 0.973 10 5 FCBERO Cc1n[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000534784946 490409044 /nfs/dbraw/zinc/40/90/44/490409044.db2.gz KAMJNGKFPGCBCH-NSHDSACASA-N 1 0 354.411 0.449 10 5 FCBERO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)cn2)CC1 ZINC000484719373 490459596 /nfs/dbraw/zinc/45/95/96/490459596.db2.gz FCEHAWNGHXFNIT-UHFFFAOYSA-N 1 0 374.405 0.040 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423036824 490526153 /nfs/dbraw/zinc/52/61/53/490526153.db2.gz LQZXYXPBXGVIAF-JKSUJKDBSA-N 1 0 369.443 0.725 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000536432550 490577810 /nfs/dbraw/zinc/57/78/10/490577810.db2.gz FTHIJHSIMUWAKY-GJZGRUSLSA-N 1 0 374.401 0.186 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000536432546 490578355 /nfs/dbraw/zinc/57/83/55/490578355.db2.gz FTHIJHSIMUWAKY-CABCVRRESA-N 1 0 374.401 0.186 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596363612 491984751 /nfs/dbraw/zinc/98/47/51/491984751.db2.gz SVDULGVWHKXIQQ-LBPRGKRZSA-N 1 0 373.479 0.926 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565475709 491379003 /nfs/dbraw/zinc/37/90/03/491379003.db2.gz JZOSNMJJZXVJOY-SFHVURJKSA-N 1 0 374.397 0.922 10 5 FCBERO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000576160708 491587479 /nfs/dbraw/zinc/58/74/79/491587479.db2.gz VPWFAMCCDANCRN-UHFFFAOYSA-N 1 0 369.809 0.550 10 5 FCBERO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000584470681 491594948 /nfs/dbraw/zinc/59/49/48/491594948.db2.gz CTAVEQGWXSCBJI-LBPRGKRZSA-N 1 0 371.344 0.507 10 5 FCBERO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000576227904 491594902 /nfs/dbraw/zinc/59/49/02/491594902.db2.gz KFMVBAFNHAZDMD-JTQLQIEISA-N 1 0 358.301 0.801 10 5 FCBERO COc1cc(CC[NH2+]C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000584545990 491603125 /nfs/dbraw/zinc/60/31/25/491603125.db2.gz GNBBWAIDMYQIHH-CQSZACIVSA-N 1 0 369.418 0.437 10 5 FCBERO Cc1c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590444247 491776732 /nfs/dbraw/zinc/77/67/32/491776732.db2.gz NCXPAYUAGOIACZ-IINYFYTJSA-N 1 0 368.415 0.327 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2C1 ZINC000590445998 491777158 /nfs/dbraw/zinc/77/71/58/491777158.db2.gz QGXMKEKBKIMCOA-GXFFZTMASA-N 1 0 358.354 0.353 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590541703 491778348 /nfs/dbraw/zinc/77/83/48/491778348.db2.gz OBFGQWKCJVDVBH-QGZVFWFLSA-N 1 0 370.413 0.900 10 5 FCBERO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000590774488 491786236 /nfs/dbraw/zinc/78/62/36/491786236.db2.gz ZUJBOVJTLNMBKJ-LLVKDONJSA-N 1 0 351.359 0.900 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000582964151 491834417 /nfs/dbraw/zinc/83/44/17/491834417.db2.gz JAGOWXLESXGVAV-LLVKDONJSA-N 1 0 369.399 0.896 10 5 FCBERO COC(=O)COc1ccc(CNCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000600774385 491881697 /nfs/dbraw/zinc/88/16/97/491881697.db2.gz KCOZIAWEWDLEFV-UHFFFAOYSA-N 1 0 353.375 0.744 10 5 FCBERO Cc1ccc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000595126600 491887045 /nfs/dbraw/zinc/88/70/45/491887045.db2.gz ZKGBEQAIQJXBRP-UHFFFAOYSA-N 1 0 365.434 0.841 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595892951 491959541 /nfs/dbraw/zinc/95/95/41/491959541.db2.gz SLQFJBYKQKVIDP-LBPRGKRZSA-N 1 0 366.443 0.935 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595947707 491964106 /nfs/dbraw/zinc/96/41/06/491964106.db2.gz MUIUCNKGPHXBPE-CHWSQXEVSA-N 1 0 374.394 0.161 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000595951500 491964181 /nfs/dbraw/zinc/96/41/81/491964181.db2.gz XUXQRNQSODKZIF-UHFFFAOYSA-N 1 0 365.390 0.416 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595979649 491967594 /nfs/dbraw/zinc/96/75/94/491967594.db2.gz BGPCLKQLVKHJKD-UHFFFAOYSA-N 1 0 373.413 0.193 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000595982940 491968764 /nfs/dbraw/zinc/96/87/64/491968764.db2.gz VPOHEJYSTMWQDD-UHFFFAOYSA-N 1 0 351.407 0.654 10 5 FCBERO CN(CCC[NH+](C)C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000596425884 491985027 /nfs/dbraw/zinc/98/50/27/491985027.db2.gz YAGIARLNEPNTHA-UHFFFAOYSA-N 1 0 359.452 0.538 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 ZINC000596565252 491991145 /nfs/dbraw/zinc/99/11/45/491991145.db2.gz CVAPUSZHKITTII-LBPRGKRZSA-N 1 0 372.447 0.789 10 5 FCBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000597860972 492071561 /nfs/dbraw/zinc/07/15/61/492071561.db2.gz QMKMBSZFUHUWOA-NSHDSACASA-N 1 0 370.431 0.845 10 5 FCBERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598536274 492103831 /nfs/dbraw/zinc/10/38/31/492103831.db2.gz QLZSYODQYIQOLV-CYBMUJFWSA-N 1 0 351.407 0.893 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000598539089 492104041 /nfs/dbraw/zinc/10/40/41/492104041.db2.gz FGEZBDIJEHJGOC-CQSZACIVSA-N 1 0 352.391 0.326 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599101744 492135423 /nfs/dbraw/zinc/13/54/23/492135423.db2.gz AWOWVMXULWZYIN-VHSXEESVSA-N 1 0 357.388 0.800 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000599229076 492145641 /nfs/dbraw/zinc/14/56/41/492145641.db2.gz PKKGQEMTXJTCGN-LBPRGKRZSA-N 1 0 357.436 0.967 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)n1 ZINC000599262287 492150872 /nfs/dbraw/zinc/15/08/72/492150872.db2.gz BQFOBQRHVWKJGB-WZRBSPASSA-N 1 0 373.435 0.201 10 5 FCBERO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599561568 492187242 /nfs/dbraw/zinc/18/72/42/492187242.db2.gz BLISDWJVDARNKV-WBMJQRKESA-N 1 0 354.359 0.598 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000608861378 492194759 /nfs/dbraw/zinc/19/47/59/492194759.db2.gz QMPUODCSOAAUTK-HNNXBMFYSA-N 1 0 361.402 0.853 10 5 FCBERO C[NH2+]CCOCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599935659 492218835 /nfs/dbraw/zinc/21/88/35/492218835.db2.gz LBRYPOKPPZIIFR-UHFFFAOYSA-N 1 0 352.395 0.057 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000618923762 492243575 /nfs/dbraw/zinc/24/35/75/492243575.db2.gz KYRGZCPGXPZUGY-QGZVFWFLSA-N 1 0 364.402 0.240 10 5 FCBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610869553 492265624 /nfs/dbraw/zinc/26/56/24/492265624.db2.gz CGKXZWOVCGXFHP-UHFFFAOYSA-N 1 0 374.401 0.950 10 5 FCBERO COc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])cc1OC ZINC000619873512 492280608 /nfs/dbraw/zinc/28/06/08/492280608.db2.gz JVMANBRSVCIYJU-LBPRGKRZSA-N 1 0 364.402 0.732 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000619879648 492281625 /nfs/dbraw/zinc/28/16/25/492281625.db2.gz LYDIWWUEACMHKO-OAHLLOKOSA-N 1 0 371.401 0.295 10 5 FCBERO CCOCC[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC000174782726 528750469 /nfs/dbraw/zinc/75/04/69/528750469.db2.gz DGQRHSXBAIOUBD-HOCLYGCPSA-N 1 0 355.439 0.585 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])n1 ZINC000592374469 546948294 /nfs/dbraw/zinc/94/82/94/546948294.db2.gz IXOSEFHBQYCUDT-RYUDHWBXSA-N 1 0 357.436 0.964 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])n1 ZINC000592374468 546948448 /nfs/dbraw/zinc/94/84/48/546948448.db2.gz IXOSEFHBQYCUDT-NWDGAFQWSA-N 1 0 357.436 0.964 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592875451 546958469 /nfs/dbraw/zinc/95/84/69/546958469.db2.gz YVNFPMMNUKDYET-LLVKDONJSA-N 1 0 350.375 0.795 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593234778 546964618 /nfs/dbraw/zinc/96/46/18/546964618.db2.gz KFULBLGCHHJEMH-UHFFFAOYSA-N 1 0 350.375 0.206 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593235912 546964956 /nfs/dbraw/zinc/96/49/56/546964956.db2.gz ZHBXFXYOLUSKDZ-UHFFFAOYSA-N 1 0 350.375 0.449 10 5 FCBERO C[NH+](C)CCN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1=O ZINC000593486050 546968324 /nfs/dbraw/zinc/96/83/24/546968324.db2.gz IAKDVIHXCDBQNE-UHFFFAOYSA-N 1 0 370.431 0.209 10 5 FCBERO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593568570 546977059 /nfs/dbraw/zinc/97/70/59/546977059.db2.gz UQIQUVIGCPAYOJ-XBFCOCLRSA-N 1 0 370.431 0.862 10 5 FCBERO CCO[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C[NH3+] ZINC000593916485 546994979 /nfs/dbraw/zinc/99/49/79/546994979.db2.gz LIUVVYKUHREOPP-IAQYHMDHSA-N 1 0 353.375 0.804 10 5 FCBERO COc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594319457 546997538 /nfs/dbraw/zinc/99/75/38/546997538.db2.gz VPVXOQGDZWTVNK-KLPPZKSPSA-N 1 0 350.375 0.998 10 5 FCBERO CS(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451950 546998797 /nfs/dbraw/zinc/99/87/97/546998797.db2.gz UTTSUGVVEAXIQW-VIFPVBQESA-N 1 0 355.294 0.618 10 5 FCBERO CN(CCN1CCOC(C)(C)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772018 547008828 /nfs/dbraw/zinc/00/88/28/547008828.db2.gz VCOANUSNBXDBGS-UHFFFAOYSA-N 1 0 358.420 0.721 10 5 FCBERO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ncccc1[N+](=O)[O-])CCO2 ZINC000594796027 547012175 /nfs/dbraw/zinc/01/21/75/547012175.db2.gz RFVCQLWTNVTNHA-UHFFFAOYSA-N 1 0 356.404 0.475 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000594822188 547013988 /nfs/dbraw/zinc/01/39/88/547013988.db2.gz RVURXNFPJYQSEU-JTQLQIEISA-N 1 0 359.404 1.000 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000594821871 547014305 /nfs/dbraw/zinc/01/43/05/547014305.db2.gz PFTTUSQLCLYWEL-SNVBAGLBSA-N 1 0 359.404 1.000 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000420455220 547340449 /nfs/dbraw/zinc/34/04/49/547340449.db2.gz XPRIYEMCMGOYHH-IINYFYTJSA-N 1 0 369.399 0.754 10 5 FCBERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262710847 667100434 /nfs/dbraw/zinc/10/04/34/667100434.db2.gz QJVSIMYJQLKFMW-GXFFZTMASA-N 1 0 358.420 0.363 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819288994 668994794 /nfs/dbraw/zinc/99/47/94/668994794.db2.gz BPYWXOJIMYHFJQ-AEGPPILISA-N 1 0 357.432 0.936 10 5 FCBERO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819313253 668997033 /nfs/dbraw/zinc/99/70/33/668997033.db2.gz ZSKHEYMWTUJPSP-UKRRQHHQSA-N 1 0 372.447 0.489 10 5 FCBERO Cc1c(C(=O)NC2CC([NH+](C)C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000819679284 669022192 /nfs/dbraw/zinc/02/21/92/669022192.db2.gz ATVFYQXTMRVONP-UHFFFAOYSA-N 1 0 356.404 0.373 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000828081808 669615344 /nfs/dbraw/zinc/61/53/44/669615344.db2.gz CDVJBCBWUYPJFH-VIFPVBQESA-N 1 0 362.433 0.397 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828083287 669615920 /nfs/dbraw/zinc/61/59/20/669615920.db2.gz UYZRXUWPYOLNMI-SNVBAGLBSA-N 1 0 374.394 0.474 10 5 FCBERO CCc1noc(C[C@]2(O)CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000856675086 671694693 /nfs/dbraw/zinc/69/46/93/671694693.db2.gz SJEXEVCGTGOJKF-OAHLLOKOSA-N 1 0 350.379 0.806 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000858612127 671768784 /nfs/dbraw/zinc/76/87/84/671768784.db2.gz WSOKZSHVCLHDET-NWDGAFQWSA-N 1 0 351.388 0.444 10 5 FCBERO CCOc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000594394548 1196718779 /nfs/dbraw/zinc/71/87/79/1196718779.db2.gz XAWUWGVBOWMEMB-NWDGAFQWSA-N 1 0 365.386 0.893 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000592880933 1196740676 /nfs/dbraw/zinc/74/06/76/1196740676.db2.gz PYSXEUQVDTYZSN-CYBMUJFWSA-N 1 0 363.418 0.975 10 5 FCBERO CCOc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593232048 1196763710 /nfs/dbraw/zinc/76/37/10/1196763710.db2.gz DPDACSHKUADVFD-UHFFFAOYSA-N 1 0 364.402 0.840 10 5 FCBERO Cc1cc(OCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000593235795 1196765881 /nfs/dbraw/zinc/76/58/81/1196765881.db2.gz USUOWQQGYRNWLI-UHFFFAOYSA-N 1 0 364.402 0.514 10 5 FCBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593235345 1196765977 /nfs/dbraw/zinc/76/59/77/1196765977.db2.gz OJYYMUDLYDXMPU-UHFFFAOYSA-N 1 0 364.402 0.840 10 5 FCBERO COc1ccc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001483732843 1197121704 /nfs/dbraw/zinc/12/17/04/1197121704.db2.gz NHGBPSKUFXJEPI-ZIAGYGMSSA-N 1 0 362.386 0.537 10 5 FCBERO COC(=O)C1CC[NH+](CCCNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001136657962 1203245266 /nfs/dbraw/zinc/24/52/66/1203245266.db2.gz IXKIDDJMNATOGG-UHFFFAOYSA-N 1 0 367.406 0.491 10 5 FCBERO CN1C(=O)[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]2C1=O ZINC001175436754 1206304617 /nfs/dbraw/zinc/30/46/17/1206304617.db2.gz OXHJFZWFIFJACW-TXEJJXNPSA-N 1 0 374.353 0.439 10 5 FCBERO C[C@@]12C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001196833243 1208109261 /nfs/dbraw/zinc/10/92/61/1208109261.db2.gz QKNBITWPEHAVOK-IRXDYDNUSA-N 1 0 360.370 0.908 10 5 FCBERO O=C(C[N@@H+]1CC[C@@]2(O)C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852536216 1209554067 /nfs/dbraw/zinc/55/40/67/1209554067.db2.gz BXTYILMCACPUCE-KBXCAEBGSA-N 1 0 360.414 0.700 10 5 FCBERO CN(C)c1cc(F)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000854353064 1209622803 /nfs/dbraw/zinc/62/28/03/1209622803.db2.gz QIKQCKFRTVLVLX-GFCCVEGCSA-N 1 0 365.409 0.920 10 5 FCBERO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863571303 1209944921 /nfs/dbraw/zinc/94/49/21/1209944921.db2.gz VINAHHXNXVYRIG-FUHWJXTLSA-N 1 0 365.430 0.834 10 5 FCBERO C[NH+](C)CC(=O)N1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000930120562 1211688945 /nfs/dbraw/zinc/68/89/45/1211688945.db2.gz HBVBIYCPFAHDAL-UHFFFAOYSA-N 1 0 366.393 0.899 10 5 FCBERO O=C(NCC1([NH2+]Cc2cnnn2-c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001277054710 1225815654 /nfs/dbraw/zinc/81/56/54/1225815654.db2.gz IHSXRXGPJOSKOC-HUUCEWRRSA-N 1 0 356.386 0.671 10 5 FCBERO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001118491179 1221788899 /nfs/dbraw/zinc/78/88/99/1221788899.db2.gz UPPXCVILGIMWGA-OAHLLOKOSA-N 1 0 364.402 0.674 10 5 FCBERO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001118870951 1221838300 /nfs/dbraw/zinc/83/83/00/1221838300.db2.gz UWQAKIBIELBIFB-OAHLLOKOSA-N 1 0 374.397 0.585 10 5 FCBERO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCN2CCNC2=O)CC1 ZINC001265339105 1260411245 /nfs/dbraw/zinc/41/12/45/1260411245.db2.gz XBEVZGNKYMDIMX-HUUCEWRRSA-N 1 0 367.450 0.380 10 5 FCBERO Cc1cc(NC(=O)C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001281489893 1261116464 /nfs/dbraw/zinc/11/64/64/1261116464.db2.gz RXQLCEGKWZGDFI-VXGBXAGGSA-N 1 0 365.390 0.557 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001473809557 1261499693 /nfs/dbraw/zinc/49/96/93/1261499693.db2.gz OKCRXYFVUXGQON-AWEZNQCLSA-N 1 0 370.402 0.170 10 5 FCBERO C[NH+](C)CC1(C(=O)NCC2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001286153186 1261920340 /nfs/dbraw/zinc/92/03/40/1261920340.db2.gz WEGKXCHBEOITLQ-ZIAGYGMSSA-N 1 0 366.462 0.738 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1 ZINC001288338882 1262019256 /nfs/dbraw/zinc/01/92/56/1262019256.db2.gz WDMKNOMXIMPLCH-UHFFFAOYSA-N 1 0 364.406 0.274 10 5 FCBERO CC[N@H+](C)CCC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001297704275 1262887605 /nfs/dbraw/zinc/88/76/05/1262887605.db2.gz LFYSAHBYDYAVFG-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO O=C(CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC001297880074 1262899186 /nfs/dbraw/zinc/89/91/86/1262899186.db2.gz PXVSOILOYVDALR-INIZCTEOSA-N 1 0 364.402 0.347 10 5 FCBERO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001298329284 1262923282 /nfs/dbraw/zinc/92/32/82/1262923282.db2.gz YIAPZSRCTANHLI-AWEZNQCLSA-N 1 0 374.401 0.752 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OCCC[NH2+]Cc2nncs2)CC1 ZINC001485441990 1263507935 /nfs/dbraw/zinc/50/79/35/1263507935.db2.gz BTUKKYUBKBKQDC-CHWSQXEVSA-N 1 0 369.447 0.691 10 5 FCBERO CCN(CC)C(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001495517108 1263822188 /nfs/dbraw/zinc/82/21/88/1263822188.db2.gz ICRUYYLLCCJKJM-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO CN(C)C(=O)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001499526484 1264032709 /nfs/dbraw/zinc/03/27/09/1264032709.db2.gz UTPJGYDWGDGGQO-HUUCEWRRSA-N 1 0 352.435 0.443 10 5 FCBERO CC[N@H+](CCS(C)(=O)=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001505396763 1264271674 /nfs/dbraw/zinc/27/16/74/1264271674.db2.gz PCJYHSTYFATLDE-ZIAGYGMSSA-N 1 0 361.464 0.257 10 5 FCBERO CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCOC2)CC[N@@H+]1C ZINC001526252193 1266793936 /nfs/dbraw/zinc/79/39/36/1266793936.db2.gz GZLOWYICTDPDRS-UONOGXRCSA-N 1 0 352.439 0.868 10 5 FCBERO CN(CC(C)(C)CNC(=O)C[N@H+](C)C1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001334050586 1266794352 /nfs/dbraw/zinc/79/43/52/1266794352.db2.gz JYIHMDZJBDUSHQ-ZIAGYGMSSA-N 1 0 354.451 0.737 10 5 FCBERO COc1ccc(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC001526711195 1266830763 /nfs/dbraw/zinc/83/07/63/1266830763.db2.gz GOIYPSDOJWNQEA-UHFFFAOYSA-N 1 0 365.390 0.841 10 5 FCBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC001542656343 1267503185 /nfs/dbraw/zinc/50/31/85/1267503185.db2.gz ZZQYMFIEZUCASZ-HNNXBMFYSA-N 1 0 361.402 0.853 10 5 FCBERO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001543039193 1267520244 /nfs/dbraw/zinc/52/02/44/1267520244.db2.gz ZXSWOGXXRHZVPP-UHFFFAOYSA-N 1 0 370.431 0.656 10 5 FCBERO C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001544139345 1267570571 /nfs/dbraw/zinc/57/05/71/1267570571.db2.gz MLYMSYXZSCPXFX-BLLLJJGKSA-N 1 0 373.417 0.540 10 5 FCBERO COCCC1(NC(=O)CC[NH+](C)C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001340016721 1268406311 /nfs/dbraw/zinc/40/63/11/1268406311.db2.gz CHJNPGOKZUTJAQ-ZIAGYGMSSA-N 1 0 370.450 0.117 10 5 FCBERO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC12CC[NH+](CC1)C2 ZINC001557916671 1268989490 /nfs/dbraw/zinc/98/94/90/1268989490.db2.gz SWMXPFWRIQXFMA-UHFFFAOYSA-N 1 0 368.415 0.228 10 5 FCBERO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001341682868 1269150498 /nfs/dbraw/zinc/15/04/98/1269150498.db2.gz GJHXCDNCWDDPHE-OLZOCXBDSA-N 1 0 350.423 0.426 10 5 FCBERO C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC001565609429 1269481538 /nfs/dbraw/zinc/48/15/38/1269481538.db2.gz ORKJRRKCMXFPSP-CZUORRHYSA-N 1 0 350.419 0.628 10 5 FCBERO CC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001565624888 1269484270 /nfs/dbraw/zinc/48/42/70/1269484270.db2.gz MCZRADNHAVXOFC-UHFFFAOYSA-N 1 0 356.404 0.410 10 5 FCBERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001566989855 1269672602 /nfs/dbraw/zinc/67/26/02/1269672602.db2.gz SFXTXZPZWISSHH-VXGBXAGGSA-N 1 0 370.431 0.424 10 5 FCBERO CCN(CC[NH2+]CC(=O)N(C)c1nccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568742561 1269747193 /nfs/dbraw/zinc/74/71/93/1269747193.db2.gz VBRBJXSDMAVTGK-GHMZBOCLSA-N 1 0 355.420 0.209 10 5 FCBERO CCN(CC)C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001569700045 1269797170 /nfs/dbraw/zinc/79/71/70/1269797170.db2.gz MOVPDETWGASGGS-ZIAGYGMSSA-N 1 0 354.451 0.738 10 5 FCBERO CCC1([NH2+]Cc2ncnn2CCF)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570254939 1269856775 /nfs/dbraw/zinc/85/67/75/1269856775.db2.gz JRROEOVNEQBHCU-CHWSQXEVSA-N 1 0 368.413 0.774 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001570413789 1269879772 /nfs/dbraw/zinc/87/97/72/1269879772.db2.gz FZIGWUFMIFHABB-GOLMWGNGSA-N 1 0 352.218 0.914 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCc1cccs1 ZINC001713192491 1287269126 /nfs/dbraw/zinc/26/91/26/1287269126.db2.gz NFWOUNXHNNGHNB-ZMJPVWNMSA-N 1 0 366.443 0.309 10 5 FCBERO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001713192780 1287269650 /nfs/dbraw/zinc/26/96/50/1287269650.db2.gz YFBZKNYTHKIPJM-AYRXBEOTSA-N 1 0 362.386 0.536 10 5 FCBERO O=C(C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001714326529 1287318650 /nfs/dbraw/zinc/31/86/50/1287318650.db2.gz WTVIXPRJTACRAR-HZPDHXFCSA-N 1 0 366.462 0.929 10 5 FCBERO CCC(C)(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001716904781 1287393649 /nfs/dbraw/zinc/39/36/49/1287393649.db2.gz QWTPSUBCMWQBAL-CHWSQXEVSA-N 1 0 370.450 0.211 10 5 FCBERO CCC1([NH2+]CCn2nc(C)nc2C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717237685 1287414572 /nfs/dbraw/zinc/41/45/72/1287414572.db2.gz UTRXPKFVWDQJFY-HUUCEWRRSA-N 1 0 364.450 0.921 10 5 FCBERO Cn1ccc(C[NH2+]CCCOC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001717518456 1287428494 /nfs/dbraw/zinc/42/84/94/1287428494.db2.gz QHLSYJOBJYCMQM-HZPDHXFCSA-N 1 0 365.434 0.573 10 5 FCBERO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001634436225 1282330607 /nfs/dbraw/zinc/33/06/07/1282330607.db2.gz TWSZBRVYAFTPCF-PHIMTYICSA-N 1 0 353.400 0.632 10 5 FCBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C1 ZINC001587229058 1282341848 /nfs/dbraw/zinc/34/18/48/1282341848.db2.gz VSNGQAZTKSZXLS-LBPRGKRZSA-N 1 0 359.390 0.984 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001718931980 1287595145 /nfs/dbraw/zinc/59/51/45/1287595145.db2.gz WYYQDPLKGWEOLF-HUUCEWRRSA-N 1 0 364.446 0.589 10 5 FCBERO C[NH+]1CCC(N(CCO)C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC001639322128 1282771602 /nfs/dbraw/zinc/77/16/02/1282771602.db2.gz YURQHHGXWSGSTQ-UHFFFAOYSA-N 1 0 365.386 0.701 10 5 FCBERO C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001684226632 1284147393 /nfs/dbraw/zinc/14/73/93/1284147393.db2.gz YMSLEUSLMKGNPQ-LXTVHRRPSA-N 1 0 352.435 0.395 10 5 FCBERO O=C(CC[NH+]1CCCCC1)NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001703515374 1286115984 /nfs/dbraw/zinc/11/59/84/1286115984.db2.gz UMPPIWDCEKOLMU-HZPDHXFCSA-N 1 0 366.462 0.882 10 5 FCBERO C[NH+]1CCC(C(=O)NCCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 ZINC001703758674 1286135679 /nfs/dbraw/zinc/13/56/79/1286135679.db2.gz CPXCHVBBZGPGIT-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001593722059 1286212345 /nfs/dbraw/zinc/21/23/45/1286212345.db2.gz WMBBKXGHDHOPMT-UONOGXRCSA-N 1 0 372.385 0.457 10 5 FCBERO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001598292613 1286386006 /nfs/dbraw/zinc/38/60/06/1286386006.db2.gz NQQQKYGYSJHMHC-UHFFFAOYSA-N 1 0 364.406 0.124 10 5 FCBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CCC[NH+](CCC1)C2 ZINC001721143218 1288299188 /nfs/dbraw/zinc/29/91/88/1288299188.db2.gz ABGZQOAHQKIUPH-ZIAGYGMSSA-N 1 0 352.435 0.492 10 5 FCBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc2c[nH+]cn2c1C ZINC001721143242 1288299586 /nfs/dbraw/zinc/29/95/86/1288299586.db2.gz BBRBBJVHWORZDF-HUUCEWRRSA-N 1 0 359.386 0.886 10 5 FCBERO C[NH+](C)CCC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001722113657 1288406296 /nfs/dbraw/zinc/40/62/96/1288406296.db2.gz AQJBYCKGIAQSGK-HZPDHXFCSA-N 1 0 366.462 0.833 10 5 FCBERO CN(CC1CC1)C(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001732322116 1288580868 /nfs/dbraw/zinc/58/08/68/1288580868.db2.gz ZETTWFGZGKOVTQ-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO CC(C)NC(=O)NCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001734195461 1288644663 /nfs/dbraw/zinc/64/46/63/1288644663.db2.gz GLGXHIVKIOPPPZ-ZIAGYGMSSA-N 1 0 367.450 0.284 10 5 FCBERO NC(=O)C[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700298244 1289591343 /nfs/dbraw/zinc/59/13/43/1289591343.db2.gz BXMQKGHSQRUJQC-HUUCEWRRSA-N 1 0 360.414 0.287 10 5 FCBERO C[NH+](C)C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001611482464 1289651673 /nfs/dbraw/zinc/65/16/73/1289651673.db2.gz SVEMOFVRIBIUTA-GFCCVEGCSA-N 1 0 370.431 0.426 10 5 FCBERO C[N@@H+]1CC[C@@H](CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001625575937 1290351541 /nfs/dbraw/zinc/35/15/41/1290351541.db2.gz HPVVWOQKZSSFTE-LBPRGKRZSA-N 1 0 370.431 0.331 10 5 FCBERO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C12CC[NH+](CC1)C2 ZINC001627162193 1290441756 /nfs/dbraw/zinc/44/17/56/1290441756.db2.gz XPKJOYGLCMSNLI-UHFFFAOYSA-N 1 0 368.415 0.085 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001644124047 1290941615 /nfs/dbraw/zinc/94/16/15/1290941615.db2.gz WAROCXQTURWZJI-MRXNPFEDSA-N 1 0 360.374 0.314 10 5 FCBERO CN(CC[N@H+](C)CCO)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC001651240873 1291209696 /nfs/dbraw/zinc/20/96/96/1291209696.db2.gz VROJJPFJHIHVJA-UHFFFAOYSA-N 1 0 361.402 0.920 10 5 FCBERO CNC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001654781403 1291435294 /nfs/dbraw/zinc/43/52/94/1291435294.db2.gz KMYPYARUSTXSQB-STQMWFEESA-N 1 0 352.391 0.728 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001655770321 1291484504 /nfs/dbraw/zinc/48/45/04/1291484504.db2.gz BFPIYJNXNYVCHU-GFCCVEGCSA-N 1 0 370.431 0.842 10 5 FCBERO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001660398033 1291657100 /nfs/dbraw/zinc/65/71/00/1291657100.db2.gz HSRSORSXZNRUNR-AGIUHOORSA-N 1 0 373.431 0.191 10 5 FCBERO CCN(CC[NH2+]CC(=O)Nc1nc(C)cs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668426985 1291963768 /nfs/dbraw/zinc/96/37/68/1291963768.db2.gz ZRINNUFPJHGTDW-GHMZBOCLSA-N 1 0 355.420 0.493 10 5 FCBERO O=C(NC/C=C\C[NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668822015 1291975403 /nfs/dbraw/zinc/97/54/03/1291975403.db2.gz UWHTXOZJVOOFCW-LHBIUNCVSA-N 1 0 361.398 0.928 10 5 FCBERO C[N@H+](CCCN1CCCC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001676049636 1292193130 /nfs/dbraw/zinc/19/31/30/1292193130.db2.gz PCNURUHYWRQAOS-HUUCEWRRSA-N 1 0 352.435 0.587 10 5 FCBERO O=C(C[NH+]1CCCC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001136391377 849219744 /nfs/dbraw/zinc/21/97/44/849219744.db2.gz TYQYWKCPDKLCIB-UHFFFAOYSA-N 1 0 356.404 0.085 10 5 FCBERO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001146196193 849548299 /nfs/dbraw/zinc/54/82/99/849548299.db2.gz IJKMGMUMFDIXNW-JTQLQIEISA-N 1 0 372.813 0.108 10 5 FCBERO NC(=O)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001197385771 853107132 /nfs/dbraw/zinc/10/71/32/853107132.db2.gz YWFUVGCXBZFCLQ-UHFFFAOYSA-N 1 0 350.375 0.890 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC001261791606 858665271 /nfs/dbraw/zinc/66/52/71/858665271.db2.gz WJFOTQUTMBHQBX-DGCLKSJQSA-N 1 0 373.435 0.235 10 5 FCBERO CN(C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1nccs1 ZINC001264391203 859351989 /nfs/dbraw/zinc/35/19/89/859351989.db2.gz PCAVDVOGQSOYGE-WRWGMCAJSA-N 1 0 367.431 0.256 10 5 FCBERO CN(CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Cc1cn(C)nn1 ZINC001271773056 860007779 /nfs/dbraw/zinc/00/77/79/860007779.db2.gz YUSVLULNCWMGHT-HUUCEWRRSA-N 1 0 350.423 0.541 10 5 FCBERO COc1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)sn1 ZINC001281242991 863493283 /nfs/dbraw/zinc/49/32/83/863493283.db2.gz UOOPMYRANKSVCZ-VXGBXAGGSA-N 1 0 370.431 0.572 10 5 FCBERO CC(C)(C)CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001318632552 867712127 /nfs/dbraw/zinc/71/21/27/867712127.db2.gz LLTDQHYVLKTZRU-CHWSQXEVSA-N 1 0 354.451 0.833 10 5 FCBERO CCN(C)C(=O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319876038 868024022 /nfs/dbraw/zinc/02/40/22/868024022.db2.gz DRTRXVVYIJRASF-HUUCEWRRSA-N 1 0 354.451 0.690 10 5 FCBERO CN(CCC[NH2+]CC(=O)Nc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322504941 868838146 /nfs/dbraw/zinc/83/81/46/868838146.db2.gz GATWPVDCGJDOLU-ZIAGYGMSSA-N 1 0 352.366 0.868 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001327500733 870911096 /nfs/dbraw/zinc/91/10/96/870911096.db2.gz NXWWFDBVSAVXRK-CYBMUJFWSA-N 1 0 352.391 0.709 10 5 FCBERO COc1nccnc1CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000296335598 214345197 /nfs/dbraw/zinc/34/51/97/214345197.db2.gz HZMWIYVXAJYDNG-UHFFFAOYSA-N 1 0 367.387 0.462 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261609804 209456891 /nfs/dbraw/zinc/45/68/91/209456891.db2.gz DKXYCYBZOVDVPE-VXGBXAGGSA-N 1 0 354.432 0.891 10 5 FCBERO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246766096 209397949 /nfs/dbraw/zinc/39/79/49/209397949.db2.gz QYWLUBRVXYWXLN-DZGCQCFKSA-N 1 0 361.406 0.543 10 5 FCBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCN2CC[NH2+]CC2)c1 ZINC000193237860 209309651 /nfs/dbraw/zinc/30/96/51/209309651.db2.gz FTQVSYRDAGNUNS-UHFFFAOYSA-N 1 0 362.839 0.740 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931287680 674107406 /nfs/dbraw/zinc/10/74/06/674107406.db2.gz AOJJKHJWEXLBMX-MRXNPFEDSA-N 1 0 353.423 0.339 10 5 FCBERO Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000276226602 212189552 /nfs/dbraw/zinc/18/95/52/212189552.db2.gz MUPGYSNMMGCRKD-AWEZNQCLSA-N 1 0 366.418 0.538 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000419320351 246096742 /nfs/dbraw/zinc/09/67/42/246096742.db2.gz DOSBPFIDWQSOJF-IIAWOOMASA-N 1 0 353.419 0.721 10 5 FCBERO C[NH2+]C1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000423568127 247054715 /nfs/dbraw/zinc/05/47/15/247054715.db2.gz DPTCKRLMGOMEEY-UHFFFAOYSA-N 1 0 362.386 0.395 10 5 FCBERO CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000423957002 247154320 /nfs/dbraw/zinc/15/43/20/247154320.db2.gz TYAJTZYBMRCSKS-AWEZNQCLSA-N 1 0 370.431 0.459 10 5 FCBERO CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423957006 247154442 /nfs/dbraw/zinc/15/44/42/247154442.db2.gz TYAJTZYBMRCSKS-CQSZACIVSA-N 1 0 370.431 0.459 10 5 FCBERO COCC[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000106108195 208211028 /nfs/dbraw/zinc/21/10/28/208211028.db2.gz RZVLDXISBJRXTG-ZBFHGGJFSA-N 1 0 353.419 0.987 10 5 FCBERO CS(=O)(=O)N[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000116887510 208336140 /nfs/dbraw/zinc/33/61/40/208336140.db2.gz MCZWJKIKUWZIBI-NSHDSACASA-N 1 0 367.387 0.768 10 5 FCBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000116978098 208339907 /nfs/dbraw/zinc/33/99/07/208339907.db2.gz AFCMKPZKUZTZHY-LBPRGKRZSA-N 1 0 360.370 0.839 10 5 FCBERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2cccnc2[N+](=O)[O-])C1 ZINC000027267829 487692025 /nfs/dbraw/zinc/69/20/25/487692025.db2.gz ONACVJPENQVOIG-ZDUSSCGKSA-N 1 0 352.391 0.842 10 5 FCBERO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066000321 488324060 /nfs/dbraw/zinc/32/40/60/488324060.db2.gz ATFKNOQXCCZMMK-UHFFFAOYSA-N 1 0 362.477 0.962 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)n1 ZINC000191802681 488421413 /nfs/dbraw/zinc/42/14/13/488421413.db2.gz ZNIRCPPEZQWZEW-UHFFFAOYSA-N 1 0 366.422 0.437 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000554454131 491203150 /nfs/dbraw/zinc/20/31/50/491203150.db2.gz JRPCCRQYTKNEEQ-UHFFFAOYSA-N 1 0 366.422 0.533 10 5 FCBERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262294716 488562165 /nfs/dbraw/zinc/56/21/65/488562165.db2.gz OYZJHMVJWUXXHC-QPUJVOFHSA-N 1 0 363.292 0.846 10 5 FCBERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000262294740 488562196 /nfs/dbraw/zinc/56/21/96/488562196.db2.gz OZGOYTYDOKZRNL-GMSGAONNSA-N 1 0 361.301 0.515 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000272422019 488579845 /nfs/dbraw/zinc/57/98/45/488579845.db2.gz HRHMDKMWIJBPLM-HUUCEWRRSA-N 1 0 373.413 0.941 10 5 FCBERO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262794533 488593758 /nfs/dbraw/zinc/59/37/58/488593758.db2.gz STSDOAJZGFOUPY-UWVGGRQHSA-N 1 0 357.388 0.642 10 5 FCBERO Cc1nn(C)c(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000127845945 488620357 /nfs/dbraw/zinc/62/03/57/488620357.db2.gz WBSJGWHARGZSDW-LBPRGKRZSA-N 1 0 368.438 0.459 10 5 FCBERO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264021446 488643513 /nfs/dbraw/zinc/64/35/13/488643513.db2.gz OUAGSFYEXFSQOS-LBPRGKRZSA-N 1 0 350.423 0.774 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000131360323 488645007 /nfs/dbraw/zinc/64/50/07/488645007.db2.gz VRBKLCLFPOKKOE-AWEZNQCLSA-N 1 0 350.419 0.946 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000273448531 488651493 /nfs/dbraw/zinc/65/14/93/488651493.db2.gz CJJDKDOHFHLZSA-LLVKDONJSA-N 1 0 371.415 0.954 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264199687 488654465 /nfs/dbraw/zinc/65/44/65/488654465.db2.gz ILFKOPIFRXVORS-UHFFFAOYSA-N 1 0 364.406 0.079 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264379445 488669141 /nfs/dbraw/zinc/66/91/41/488669141.db2.gz FCSONWKBACEGQU-ZDUSSCGKSA-N 1 0 362.434 0.695 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000152470473 488718186 /nfs/dbraw/zinc/71/81/86/488718186.db2.gz JEFKUXBCJYURIZ-OAHLLOKOSA-N 1 0 361.402 0.677 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000265290986 488721086 /nfs/dbraw/zinc/72/10/86/488721086.db2.gz KKBMBNROMLGGLW-GFCCVEGCSA-N 1 0 370.431 0.855 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000158926323 488781417 /nfs/dbraw/zinc/78/14/17/488781417.db2.gz AFTRMAMBAHURPP-GFCCVEGCSA-N 1 0 361.395 0.859 10 5 FCBERO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158936059 488781799 /nfs/dbraw/zinc/78/17/99/488781799.db2.gz LORJVTCDQZGKCY-NSHDSACASA-N 1 0 361.395 0.859 10 5 FCBERO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000267943058 488830227 /nfs/dbraw/zinc/83/02/27/488830227.db2.gz OMRJOJIDVZCZMW-HNNXBMFYSA-N 1 0 355.347 0.639 10 5 FCBERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174849590 488851632 /nfs/dbraw/zinc/85/16/32/488851632.db2.gz LALUQXDEIZSRIK-KRWDZBQOSA-N 1 0 366.466 0.518 10 5 FCBERO COC(=O)c1cnc(N2CCCN(CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000365051794 489032853 /nfs/dbraw/zinc/03/28/53/489032853.db2.gz HEWTXMJCZZCHDG-UHFFFAOYSA-N 1 0 365.390 0.377 10 5 FCBERO O=c1nc(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH][nH]1 ZINC000280927355 489041774 /nfs/dbraw/zinc/04/17/74/489041774.db2.gz GUGFUTWOHCXMQL-ZDUSSCGKSA-N 1 0 363.374 0.626 10 5 FCBERO O=C(CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365527715 489083962 /nfs/dbraw/zinc/08/39/62/489083962.db2.gz IJUIHYUSUCGKCV-MRXNPFEDSA-N 1 0 361.358 0.597 10 5 FCBERO Cc1nn(CCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000416302737 489580455 /nfs/dbraw/zinc/58/04/55/489580455.db2.gz WYNDDJZCGVHAFH-NWDGAFQWSA-N 1 0 353.423 0.712 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000416304857 489581690 /nfs/dbraw/zinc/58/16/90/489581690.db2.gz IGIDSFXFUGTIBQ-ZIAGYGMSSA-N 1 0 350.419 0.945 10 5 FCBERO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000416304855 489582020 /nfs/dbraw/zinc/58/20/20/489582020.db2.gz IGIDSFXFUGTIBQ-KGLIPLIRSA-N 1 0 350.419 0.945 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000416477086 489598916 /nfs/dbraw/zinc/59/89/16/489598916.db2.gz QEGXBYPTLCQHFC-PHIMTYICSA-N 1 0 369.399 0.564 10 5 FCBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020302 489675912 /nfs/dbraw/zinc/67/59/12/489675912.db2.gz NBVUNYIUWMKYCR-SMDDNHRTSA-N 1 0 370.431 0.666 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000477129512 489945703 /nfs/dbraw/zinc/94/57/03/489945703.db2.gz SXQRRAQSTVYRQX-UHFFFAOYSA-N 1 0 372.447 0.350 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000422552202 490403565 /nfs/dbraw/zinc/40/35/65/490403565.db2.gz GPJJIYILDSFOSG-UHFFFAOYSA-N 1 0 369.399 0.898 10 5 FCBERO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000449756807 490426939 /nfs/dbraw/zinc/42/69/39/490426939.db2.gz WZIAIRIWYVIKLG-ZDUSSCGKSA-N 1 0 370.431 0.520 10 5 FCBERO COC(=O)c1cc(C)nc(NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000450601999 490477542 /nfs/dbraw/zinc/47/75/42/490477542.db2.gz ZHHBCJWJBHOHLX-LBPRGKRZSA-N 1 0 352.391 1.344 10 5 FCBERO C[C@@H](CO)N(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000487152462 490697998 /nfs/dbraw/zinc/69/79/98/490697998.db2.gz SAGKXCFUMCXYFY-LBPRGKRZSA-N 1 0 374.463 0.642 10 5 FCBERO CN(CCC[NH+](C)C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000538315383 490725871 /nfs/dbraw/zinc/72/58/71/490725871.db2.gz YFOOSYRLIZYCHA-UHFFFAOYSA-N 1 0 351.407 0.804 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000539024436 490761864 /nfs/dbraw/zinc/76/18/64/490761864.db2.gz RZNHVKMBQLTPOQ-UHFFFAOYSA-N 1 0 374.401 0.550 10 5 FCBERO CC(C)C[C@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000539030200 490762194 /nfs/dbraw/zinc/76/21/94/490762194.db2.gz KXSFOQJNCGCQET-NSHDSACASA-N 1 0 354.411 0.151 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000540125086 490808766 /nfs/dbraw/zinc/80/87/66/490808766.db2.gz VAKPRYAKRWMNQC-UHFFFAOYSA-N 1 0 359.390 0.405 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565475705 491379021 /nfs/dbraw/zinc/37/90/21/491379021.db2.gz JZOSNMJJZXVJOY-GOSISDBHSA-N 1 0 374.397 0.922 10 5 FCBERO COc1c[nH+]ccc1N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000573696709 491449319 /nfs/dbraw/zinc/44/93/19/491449319.db2.gz ODVJPSZQORGBCZ-UHFFFAOYSA-N 1 0 358.358 0.938 10 5 FCBERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000566855355 491471209 /nfs/dbraw/zinc/47/12/09/491471209.db2.gz QGROFCZIPZUNLB-CYBMUJFWSA-N 1 0 370.381 0.369 10 5 FCBERO Nc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587866721 491736354 /nfs/dbraw/zinc/73/63/54/491736354.db2.gz QSVYXDLRQSKGOO-UHFFFAOYSA-N 1 0 363.418 0.414 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000590562474 491779383 /nfs/dbraw/zinc/77/93/83/491779383.db2.gz LVHWDZIMOFUVOV-KBPBESRZSA-N 1 0 351.407 0.811 10 5 FCBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592082180 491831083 /nfs/dbraw/zinc/83/10/83/491831083.db2.gz GMPHMTFUPFJJGC-GFCCVEGCSA-N 1 0 370.431 0.644 10 5 FCBERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594918736 491872006 /nfs/dbraw/zinc/87/20/06/491872006.db2.gz RUNABPCGLOPLSL-LEWSCRJBSA-N 1 0 371.415 0.660 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594928107 491872549 /nfs/dbraw/zinc/87/25/49/491872549.db2.gz ZTRIDNPSTMQKRC-IJLUTSLNSA-N 1 0 371.415 0.660 10 5 FCBERO O=C(N1CC[NH2+]CC1)N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000600675312 491874760 /nfs/dbraw/zinc/87/47/60/491874760.db2.gz KYDUVUPCFHXPDT-UHFFFAOYSA-N 1 0 354.798 0.790 10 5 FCBERO C[NH2+]CCOCCN(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600729802 491879300 /nfs/dbraw/zinc/87/93/00/491879300.db2.gz IDVAAGBAJHFREU-UHFFFAOYSA-N 1 0 354.363 0.430 10 5 FCBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595113934 491884994 /nfs/dbraw/zinc/88/49/94/491884994.db2.gz PNDZREQHHGUWDO-SCRDCRAPSA-N 1 0 370.431 0.897 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595123274 491885437 /nfs/dbraw/zinc/88/54/37/491885437.db2.gz VOWUHLCAKHQDEG-GHMZBOCLSA-N 1 0 361.351 0.441 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601181025 491898865 /nfs/dbraw/zinc/89/88/65/491898865.db2.gz CSAOTWYNGPTTQG-QMMMGPOBSA-N 1 0 364.328 0.903 10 5 FCBERO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601398569 491913148 /nfs/dbraw/zinc/91/31/48/491913148.db2.gz HYSGAGTYINAVFY-UHFFFAOYSA-N 1 0 362.477 0.881 10 5 FCBERO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595385266 491926847 /nfs/dbraw/zinc/92/68/47/491926847.db2.gz XYOKCRSKZLHVML-CQSZACIVSA-N 1 0 355.416 0.815 10 5 FCBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000595912257 491961147 /nfs/dbraw/zinc/96/11/47/491961147.db2.gz XVKOZPALEJISAL-CQSZACIVSA-N 1 0 374.449 0.804 10 5 FCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC12CC(C1)C[NH2+]2 ZINC000595951772 491964538 /nfs/dbraw/zinc/96/45/38/491964538.db2.gz RDGLPCAJNCIAKE-UHFFFAOYSA-N 1 0 368.415 0.131 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000595981329 491968202 /nfs/dbraw/zinc/96/82/02/491968202.db2.gz OKUJKOQYFJALQU-UHFFFAOYSA-N 1 0 363.418 0.897 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595982492 491968774 /nfs/dbraw/zinc/96/87/74/491968774.db2.gz WJTKCJKTOTZQRL-UHFFFAOYSA-N 1 0 373.413 0.193 10 5 FCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596507367 491988264 /nfs/dbraw/zinc/98/82/64/491988264.db2.gz XELRTZQUVNHHHW-CQSZACIVSA-N 1 0 352.395 0.032 10 5 FCBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000597860971 492071267 /nfs/dbraw/zinc/07/12/67/492071267.db2.gz QMKMBSZFUHUWOA-LLVKDONJSA-N 1 0 370.431 0.845 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000597989983 492076179 /nfs/dbraw/zinc/07/61/79/492076179.db2.gz JAARQQGFULOQON-INIZCTEOSA-N 1 0 373.413 0.983 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598723242 492115891 /nfs/dbraw/zinc/11/58/91/492115891.db2.gz FSMPEDZCWLXDQF-ZUZCIYMTSA-N 1 0 369.399 0.883 10 5 FCBERO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000599110783 492136484 /nfs/dbraw/zinc/13/64/84/492136484.db2.gz QOVTUHKYAUEEOP-ZDUSSCGKSA-N 1 0 370.431 0.769 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2C[NH+](C)C)n1 ZINC000599207562 492142002 /nfs/dbraw/zinc/14/20/02/492142002.db2.gz QQCPHZUJTQNSBE-UHFFFAOYSA-N 1 0 353.404 0.868 10 5 FCBERO C[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000599311930 492158298 /nfs/dbraw/zinc/15/82/98/492158298.db2.gz NGOALVNUVWIISN-LLVKDONJSA-N 1 0 357.436 0.823 10 5 FCBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1(C[NH3+])CCOCC1 ZINC000599896790 492215366 /nfs/dbraw/zinc/21/53/66/492215366.db2.gz AVXBZLHUPCSZLY-UHFFFAOYSA-N 1 0 350.375 0.720 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599899694 492216079 /nfs/dbraw/zinc/21/60/79/492216079.db2.gz KRLXGKRUUHJTFR-CALCHBBNSA-N 1 0 362.386 1.000 10 5 FCBERO C[NH2+]CCOCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599935534 492218876 /nfs/dbraw/zinc/21/88/76/492218876.db2.gz JNOASFPZIYATKJ-UHFFFAOYSA-N 1 0 352.395 0.057 10 5 FCBERO C[NH2+]CCOCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599934875 492218889 /nfs/dbraw/zinc/21/88/89/492218889.db2.gz GCAIYQROBIIWHP-UHFFFAOYSA-N 1 0 351.407 0.662 10 5 FCBERO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000611335201 492285922 /nfs/dbraw/zinc/28/59/22/492285922.db2.gz WGJXMMXWPQMZAN-ZDUSSCGKSA-N 1 0 350.423 0.569 10 5 FCBERO C[NH2+]C1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592470703 546951924 /nfs/dbraw/zinc/95/19/24/546951924.db2.gz DURQXUPIILFLFF-UHFFFAOYSA-N 1 0 356.404 0.084 10 5 FCBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593621283 546984392 /nfs/dbraw/zinc/98/43/92/546984392.db2.gz GZMYZWISGHHZAR-UHFFFAOYSA-N 1 0 370.431 0.298 10 5 FCBERO CN(CC(=O)NCCC1(C[NH3+])CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000593914416 546994322 /nfs/dbraw/zinc/99/43/22/546994322.db2.gz KJEVLBWYISWXRK-UHFFFAOYSA-N 1 0 370.431 0.461 10 5 FCBERO [NH3+]C[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000594450604 546998638 /nfs/dbraw/zinc/99/86/38/546998638.db2.gz GYGFXRDTHUBMLK-MRVPVSSYSA-N 1 0 368.699 0.984 10 5 FCBERO [NH3+]C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000594538849 547001792 /nfs/dbraw/zinc/00/17/92/547001792.db2.gz VUEUTXIZNUFXNW-SNVBAGLBSA-N 1 0 362.312 0.711 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819288995 668994907 /nfs/dbraw/zinc/99/49/07/668994907.db2.gz BPYWXOJIMYHFJQ-CFVMTHIKSA-N 1 0 357.432 0.936 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927400 669366631 /nfs/dbraw/zinc/36/66/31/669366631.db2.gz WCBYJYAOHCMCNR-JTQLQIEISA-N 1 0 350.379 0.761 10 5 FCBERO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)CC1C[NH+](C)C1 ZINC000855638725 671656637 /nfs/dbraw/zinc/65/66/37/671656637.db2.gz RRJSJKQGAGABJK-UHFFFAOYSA-N 1 0 351.359 0.815 10 5 FCBERO CCc1noc(C[C@@]2(O)CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000856674671 671694579 /nfs/dbraw/zinc/69/45/79/671694579.db2.gz NSOYGFFAOHZZSP-HNNXBMFYSA-N 1 0 350.379 0.806 10 5 FCBERO [NH3+]CC1(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000861520308 671967924 /nfs/dbraw/zinc/96/79/24/671967924.db2.gz CUAZEQQVHOWCBY-UHFFFAOYSA-N 1 0 356.766 0.811 10 5 FCBERO CC(C)CC(=O)N1CCC(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001266696926 1170090454 /nfs/dbraw/zinc/09/04/54/1170090454.db2.gz XBHUFESANKMOAG-HZPDHXFCSA-N 1 0 368.478 0.984 10 5 FCBERO C[N@@H+](CC(=O)N1CCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001481514551 1186214989 /nfs/dbraw/zinc/21/49/89/1186214989.db2.gz ZETXBDPFYDAPIF-HUUCEWRRSA-N 1 0 352.435 0.444 10 5 FCBERO COCC[N@H+](CCn1cccn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269639565 1187860640 /nfs/dbraw/zinc/86/06/40/1187860640.db2.gz FWSCMMCZLGLYQH-HZPDHXFCSA-N 1 0 365.434 0.488 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000592291035 1196578853 /nfs/dbraw/zinc/57/88/53/1196578853.db2.gz KHSUNCHSPRLTFY-LBPRGKRZSA-N 1 0 364.406 0.095 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000592431666 1196622132 /nfs/dbraw/zinc/62/21/32/1196622132.db2.gz WWOXHFOGUOOBRG-JSGCOSHPSA-N 1 0 370.356 0.871 10 5 FCBERO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392482 1196719584 /nfs/dbraw/zinc/71/95/84/1196719584.db2.gz HCXPOGFAHAWBOQ-UONOGXRCSA-N 1 0 357.370 0.672 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000594618245 1196729525 /nfs/dbraw/zinc/72/95/25/1196729525.db2.gz FBSVTZAGTRNDPZ-KLPPZKSPSA-N 1 0 374.401 0.544 10 5 FCBERO Cn1cnnc1N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594022731 1196847847 /nfs/dbraw/zinc/84/78/47/1196847847.db2.gz ODZXGQLHWXCOEF-UHFFFAOYSA-N 1 0 359.390 0.874 10 5 FCBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844761703 1204434129 /nfs/dbraw/zinc/43/41/29/1204434129.db2.gz ONYSNGQCRCQHAL-UHFFFAOYSA-N 1 0 363.418 0.507 10 5 FCBERO O=C(CC[NH+]1CCCCC1)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001488624818 1208546651 /nfs/dbraw/zinc/54/66/51/1208546651.db2.gz BNSZHUQABJJWHE-HZPDHXFCSA-N 1 0 364.446 0.803 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H]2C1 ZINC000794928577 1209998234 /nfs/dbraw/zinc/99/82/34/1209998234.db2.gz JCGFWAMPYKBFKH-MAUKXSAKSA-N 1 0 373.457 0.879 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000755567624 1220142389 /nfs/dbraw/zinc/14/23/89/1220142389.db2.gz FZWBGDSDHULDFJ-UHFFFAOYSA-N 1 0 365.390 0.711 10 5 FCBERO CC[NH+]1CCN(C2CN(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)C2)CC1 ZINC001123965351 1222369800 /nfs/dbraw/zinc/36/98/00/1222369800.db2.gz XSIMGEONJFZKOU-UHFFFAOYSA-N 1 0 364.450 0.647 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001330053300 1265933632 /nfs/dbraw/zinc/93/36/32/1265933632.db2.gz XCAATXZDTGGYBH-UHFFFAOYSA-N 1 0 364.402 0.220 10 5 FCBERO C[NH+](C)CCCC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001335571059 1259721266 /nfs/dbraw/zinc/72/12/66/1259721266.db2.gz YXVLEKOHVDTAED-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001331921514 1266306418 /nfs/dbraw/zinc/30/64/18/1266306418.db2.gz WEMSCKMTDYNCMY-KRWDZBQOSA-N 1 0 360.414 0.964 10 5 FCBERO CCCn1nccc1NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001265477039 1260413986 /nfs/dbraw/zinc/41/39/86/1260413986.db2.gz ZAIZCGDFYKHMET-FDYHWXHSSA-N 1 0 364.406 0.134 10 5 FCBERO Cc1cnc(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 ZINC001279431200 1260868743 /nfs/dbraw/zinc/86/87/43/1260868743.db2.gz GNFQLBMIBFFANW-HUUCEWRRSA-N 1 0 362.434 0.120 10 5 FCBERO Cc1ncccc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001279431544 1260868810 /nfs/dbraw/zinc/86/88/10/1260868810.db2.gz PSBRPKVJDBKZBX-IAGOWNOFSA-N 1 0 361.446 0.725 10 5 FCBERO O=C(C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1)N1CCC1 ZINC001279709663 1260918593 /nfs/dbraw/zinc/91/85/93/1260918593.db2.gz DRDJUHNVKWEENL-UKRRQHHQSA-N 1 0 364.377 0.429 10 5 FCBERO CS(=O)(=O)c1ccc(N2CC([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001472877321 1261486196 /nfs/dbraw/zinc/48/61/96/1261486196.db2.gz MJODCWLGRQLYIJ-UHFFFAOYSA-N 1 0 355.416 0.956 10 5 FCBERO CC1CC[NH+](CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001285122233 1261813333 /nfs/dbraw/zinc/81/33/33/1261813333.db2.gz OHXRKRHXSPUBIA-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO C[NH+](C)Cc1cccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001285924079 1261887117 /nfs/dbraw/zinc/88/71/17/1261887117.db2.gz ULHGOIGVEUWTPJ-HUUCEWRRSA-N 1 0 360.414 0.792 10 5 FCBERO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001297730271 1262889621 /nfs/dbraw/zinc/88/96/21/1262889621.db2.gz VYOHWJVQWUSHGP-AWEZNQCLSA-N 1 0 374.401 0.752 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC001300597071 1262992063 /nfs/dbraw/zinc/99/20/63/1262992063.db2.gz STFJRQUEHXEDRT-UHFFFAOYSA-N 1 0 364.402 0.516 10 5 FCBERO Cn1cc(-c2cc(C[N@H+](C)CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])on2)cn1 ZINC001316823945 1263491457 /nfs/dbraw/zinc/49/14/57/1263491457.db2.gz SEDIETMIKNZZDN-UKRRQHHQSA-N 1 0 362.390 0.678 10 5 FCBERO Cc1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001484953455 1263494187 /nfs/dbraw/zinc/49/41/87/1263494187.db2.gz UJLQKIRTYBEJRS-CHWSQXEVSA-N 1 0 354.432 0.560 10 5 FCBERO CN(CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001492366749 1263650206 /nfs/dbraw/zinc/65/02/06/1263650206.db2.gz ACYKOESFLAQAQF-ZIAGYGMSSA-N 1 0 354.451 0.881 10 5 FCBERO CCCCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001494197338 1263757383 /nfs/dbraw/zinc/75/73/83/1263757383.db2.gz VVYCCAVWNHVXRQ-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO C[N@H+](CCNC(=O)C1CC1)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001496501635 1263879238 /nfs/dbraw/zinc/87/92/38/1263879238.db2.gz MYGVLBJZKSCXKX-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc2c[nH+]cn2c1 ZINC001497256282 1263920142 /nfs/dbraw/zinc/92/01/42/1263920142.db2.gz GAEQAFVWCXRJEX-HUUCEWRRSA-N 1 0 359.386 0.968 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc21 ZINC001497583336 1263941288 /nfs/dbraw/zinc/94/12/88/1263941288.db2.gz LUNMUTBFOQQHIQ-RAQZUPNJSA-N 1 0 358.398 0.503 10 5 FCBERO Cc1csc(NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001498544927 1263976573 /nfs/dbraw/zinc/97/65/73/1263976573.db2.gz APVYWAQDXBWFEB-GHMZBOCLSA-N 1 0 355.420 0.493 10 5 FCBERO C[NH+](C)CCCC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001500004335 1264052194 /nfs/dbraw/zinc/05/21/94/1264052194.db2.gz PNHQTAQDFUGEDN-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2cncc(F)c2)CC1 ZINC001502869268 1264184124 /nfs/dbraw/zinc/18/41/24/1264184124.db2.gz JVJPIPIJMNFHKY-ZIAGYGMSSA-N 1 0 352.366 0.329 10 5 FCBERO CCn1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)nn1 ZINC001506506501 1264323644 /nfs/dbraw/zinc/32/36/44/1264323644.db2.gz YOONZCPOHFTRQM-ZIAGYGMSSA-N 1 0 350.423 0.872 10 5 FCBERO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccccc1F ZINC001506883719 1264346030 /nfs/dbraw/zinc/34/60/30/1264346030.db2.gz JXVOZBIYGSSFLN-RTWAVKEYSA-N 1 0 364.377 0.914 10 5 FCBERO CC[N@H+](C)CCC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001340461769 1268555480 /nfs/dbraw/zinc/55/54/80/1268555480.db2.gz KAEXSWOGMHDYQM-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001558044618 1269009658 /nfs/dbraw/zinc/00/96/58/1269009658.db2.gz XHWMASFBZZUCCZ-KRWDZBQOSA-N 1 0 364.402 0.240 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001558044620 1269010120 /nfs/dbraw/zinc/01/01/20/1269010120.db2.gz XHWMASFBZZUCCZ-QGZVFWFLSA-N 1 0 364.402 0.240 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC001558043659 1269010704 /nfs/dbraw/zinc/01/07/04/1269010704.db2.gz QITMQPADDVEQQU-MRXNPFEDSA-N 1 0 360.374 0.314 10 5 FCBERO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558552382 1269110281 /nfs/dbraw/zinc/11/02/81/1269110281.db2.gz XPYUVGAMCQRBRR-NSHDSACASA-N 1 0 363.370 0.959 10 5 FCBERO NC(=O)C1([NH+]2CCCCC2)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001560107297 1269187870 /nfs/dbraw/zinc/18/78/70/1269187870.db2.gz ZLAZNIOLIDHSQN-UHFFFAOYSA-N 1 0 350.423 0.597 10 5 FCBERO CNC(=O)C1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001560147929 1269192166 /nfs/dbraw/zinc/19/21/66/1269192166.db2.gz FAVDZAHYZCZFAL-LBPRGKRZSA-N 1 0 353.375 0.219 10 5 FCBERO O=C(NCCN1CC[NH+](CCc2cccs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566649275 1269654624 /nfs/dbraw/zinc/65/46/24/1269654624.db2.gz NUEPWRWACQOVKR-HUUCEWRRSA-N 1 0 352.460 0.690 10 5 FCBERO CCN(CC[NH2+]CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568742249 1269747544 /nfs/dbraw/zinc/74/75/44/1269747544.db2.gz OVBBMOFZKPILME-ZIAGYGMSSA-N 1 0 352.366 0.868 10 5 FCBERO CN(Cc1ccco1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001569400131 1269781376 /nfs/dbraw/zinc/78/13/76/1269781376.db2.gz IPEVBEMQJSVJDW-CHWSQXEVSA-N 1 0 350.375 0.142 10 5 FCBERO CCC(C)(C)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001569875363 1269812407 /nfs/dbraw/zinc/81/24/07/1269812407.db2.gz BCNVYXYXLMCVDQ-XJFOESAGSA-N 1 0 352.435 0.347 10 5 FCBERO CC(C)(C)NC(=O)NCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570373136 1269874121 /nfs/dbraw/zinc/87/41/21/1269874121.db2.gz KUNIGPZMZZFHBY-CHWSQXEVSA-N 1 0 369.466 0.720 10 5 FCBERO COc1nscc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570414334 1269880276 /nfs/dbraw/zinc/88/02/76/1269880276.db2.gz RZRBFSXVTZFBMP-VXGBXAGGSA-N 1 0 370.431 0.260 10 5 FCBERO C[NH+](C)CCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001571907318 1269980463 /nfs/dbraw/zinc/98/04/63/1269980463.db2.gz BAOKUYKTWMOKQP-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(F)c1 ZINC001713159071 1287267960 /nfs/dbraw/zinc/26/79/60/1287267960.db2.gz NYIKUTPVZHWIES-RTWAVKEYSA-N 1 0 364.377 0.975 10 5 FCBERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001633403850 1282243389 /nfs/dbraw/zinc/24/33/89/1282243389.db2.gz NJXJXYGRPHPFPR-CJNGLKHVSA-N 1 0 350.419 0.770 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001585898472 1282254607 /nfs/dbraw/zinc/25/46/07/1282254607.db2.gz BQIGATCCWBIABN-UHFFFAOYSA-N 1 0 362.390 0.231 10 5 FCBERO C[N@@H+]1CC[C@@H](CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001633693919 1282267961 /nfs/dbraw/zinc/26/79/61/1282267961.db2.gz KPEORKBWCDYUIQ-LBPRGKRZSA-N 1 0 355.416 0.827 10 5 FCBERO O=C(CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC001640695433 1282891251 /nfs/dbraw/zinc/89/12/51/1282891251.db2.gz ZVVQYUFOZWXRGA-UHFFFAOYSA-N 1 0 351.363 0.027 10 5 FCBERO CN(CCNC(=O)c1ccccc1CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001704226015 1286199310 /nfs/dbraw/zinc/19/93/10/1286199310.db2.gz CUQAOGSSGHWKKB-HZPDHXFCSA-N 1 0 362.430 0.644 10 5 FCBERO C[NH+](C)CC1(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001705037044 1286338943 /nfs/dbraw/zinc/33/89/43/1286338943.db2.gz ZILINCDRYDOZAX-YOVCOIKASA-N 1 0 366.462 0.952 10 5 FCBERO C[NH+]1CCC(C(=O)NCC2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001705444518 1286394509 /nfs/dbraw/zinc/39/45/09/1286394509.db2.gz ZVDQTOXPFILWOG-HUUCEWRRSA-N 1 0 366.462 0.738 10 5 FCBERO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccc(C[NH+](C)C)c1 ZINC001721705772 1288369633 /nfs/dbraw/zinc/36/96/33/1288369633.db2.gz KXBRCAORLIKLDQ-HZPDHXFCSA-N 1 0 362.430 0.944 10 5 FCBERO Cc1csc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n1 ZINC001724917745 1288455883 /nfs/dbraw/zinc/45/58/83/1288455883.db2.gz WPUBTGKAGSQTAO-VXGBXAGGSA-N 1 0 354.432 0.872 10 5 FCBERO COc1ncccc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724974544 1288457227 /nfs/dbraw/zinc/45/72/27/1288457227.db2.gz BMILOIRHWIDWBN-ZIAGYGMSSA-N 1 0 364.402 0.199 10 5 FCBERO Cc1ncsc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724978289 1288457294 /nfs/dbraw/zinc/45/72/94/1288457294.db2.gz VRRCXDHWUDBSOM-VXGBXAGGSA-N 1 0 354.432 0.560 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001724975969 1288457756 /nfs/dbraw/zinc/45/77/56/1288457756.db2.gz KQOKKJAPRWOPHF-HUUCEWRRSA-N 1 0 351.378 0.934 10 5 FCBERO CCN(CC)C(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001725224760 1288462637 /nfs/dbraw/zinc/46/26/37/1288462637.db2.gz VQADZLHDMPPMFC-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(=O)NC(C)(C)C ZINC001731306603 1288551516 /nfs/dbraw/zinc/55/15/16/1288551516.db2.gz BIVAIJAJHNGMOF-VXGBXAGGSA-N 1 0 371.438 0.104 10 5 FCBERO CN(C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nccs1 ZINC001732849882 1288594766 /nfs/dbraw/zinc/59/47/66/1288594766.db2.gz FQQXZIWNVLNKJN-WUNPDAOYSA-N 1 0 353.404 0.033 10 5 FCBERO CN(CCC[NH2+]Cc1cc(-c2cnn(C)c2)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733098449 1288602387 /nfs/dbraw/zinc/60/23/87/1288602387.db2.gz ATKIKWTUPQLMKP-UKRRQHHQSA-N 1 0 362.390 0.678 10 5 FCBERO CNC(=O)c1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001700186011 1289586296 /nfs/dbraw/zinc/58/62/96/1289586296.db2.gz UOIBGNFDZRJYOO-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC001700631483 1289599026 /nfs/dbraw/zinc/59/90/26/1289599026.db2.gz FIVCNKFLAXYXDR-KLHDSHLOSA-N 1 0 366.462 0.833 10 5 FCBERO C[NH+](C)C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001611482466 1289650858 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0.919 10 5 FCBERO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001645220036 1291010037 /nfs/dbraw/zinc/01/00/37/1291010037.db2.gz CTTJYMMPNVQDEP-YVEFUNNKSA-N 1 0 361.402 0.975 10 5 FCBERO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)CCOCCO ZINC001650939946 1291186185 /nfs/dbraw/zinc/18/61/85/1291186185.db2.gz VQWBNAHKMRQKIT-UHFFFAOYSA-N 1 0 362.386 0.814 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC001654390675 1291409114 /nfs/dbraw/zinc/40/91/14/1291409114.db2.gz GJCFLFCNOSJUGW-SWLSCSKDSA-N 1 0 367.402 0.997 10 5 FCBERO C[C@]12C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC001654478823 1291412578 /nfs/dbraw/zinc/41/25/78/1291412578.db2.gz UGNDNDCGSSWZCZ-CALCHBBNSA-N 1 0 360.370 0.908 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001655614316 1291477743 /nfs/dbraw/zinc/47/77/43/1291477743.db2.gz BWXZODJRVILUJR-CQSZACIVSA-N 1 0 358.420 0.135 10 5 FCBERO 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COCCOCCN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001300159476 866211253 /nfs/dbraw/zinc/21/12/53/866211253.db2.gz DQWXFOYRZRQVAF-UHFFFAOYSA-N 1 0 352.391 0.719 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001302833282 866359533 /nfs/dbraw/zinc/35/95/33/866359533.db2.gz RTJIXQYYONSJQV-UONOGXRCSA-N 1 0 351.407 0.594 10 5 FCBERO CS(=O)(=O)c1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001321058522 868355250 /nfs/dbraw/zinc/35/52/50/868355250.db2.gz YIPHJGVBXTXDPI-OKYAQOQYSA-N 1 0 367.427 0.517 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCn2cc(Cl)cn2)CC1 ZINC001328167308 871259979 /nfs/dbraw/zinc/25/99/79/871259979.db2.gz SCGRGWYTDYVFPA-CHWSQXEVSA-N 1 0 371.825 0.145 10 5 FCBERO Cn1cc([C@@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)[NH+](C)C)cn1 ZINC000301260281 214752789 /nfs/dbraw/zinc/75/27/89/214752789.db2.gz CTWRMBUOCKQWIV-CQSZACIVSA-N 1 0 368.419 0.691 10 5 FCBERO CN(CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000160264828 529834767 /nfs/dbraw/zinc/83/47/67/529834767.db2.gz SYISSQKAOXHSTK-AWEZNQCLSA-N 1 0 350.419 0.994 10 5 FCBERO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000284918785 213248761 /nfs/dbraw/zinc/24/87/61/213248761.db2.gz SZYPTHQWMOWAQI-IRXDYDNUSA-N 1 0 360.414 0.889 10 5 FCBERO Cc1c(F)cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193226459 209310234 /nfs/dbraw/zinc/31/02/34/209310234.db2.gz QGKJXTMJRRWPKH-UHFFFAOYSA-N 1 0 360.411 0.616 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181924168 209124005 /nfs/dbraw/zinc/12/40/05/209124005.db2.gz QLAMDJZMXMJABZ-HUUCEWRRSA-N 1 0 353.419 0.723 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000181917353 209123543 /nfs/dbraw/zinc/12/35/43/209123543.db2.gz DXPOITMGIXOWJT-GJZGRUSLSA-N 1 0 351.403 0.741 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCNC[C@@H]1c1cnn(C)c1 ZINC000181695440 209120780 /nfs/dbraw/zinc/12/07/80/209120780.db2.gz KBRQEQAWCAFQDQ-CQSZACIVSA-N 1 0 365.415 0.972 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419345880 246109461 /nfs/dbraw/zinc/10/94/61/246109461.db2.gz UMODTCOGRKIQNB-STQMWFEESA-N 1 0 366.418 0.929 10 5 FCBERO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000423579545 247059836 /nfs/dbraw/zinc/05/98/36/247059836.db2.gz ORDRKUNFFFBJHB-LRDDRELGSA-N 1 0 374.397 0.395 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](C2CCOCC2)C2(CO)CCC2)c1 ZINC000425550802 247353328 /nfs/dbraw/zinc/35/33/28/247353328.db2.gz WWUSIVMQZGBFDD-HOTGVXAUSA-N 1 0 368.434 0.700 10 5 FCBERO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C1([NH+]2CCOCC2)CCCC1 ZINC000443111080 248307613 /nfs/dbraw/zinc/30/76/13/248307613.db2.gz OUXKQTKSUARASQ-GFCCVEGCSA-N 1 0 352.395 0.336 10 5 FCBERO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000452387377 249314077 /nfs/dbraw/zinc/31/40/77/249314077.db2.gz HDCOSQGIEUDZGA-OAHLLOKOSA-N 1 0 364.402 0.288 10 5 FCBERO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000453813263 249372234 /nfs/dbraw/zinc/37/22/34/249372234.db2.gz BYVUTIKFKPXELJ-AWEZNQCLSA-N 1 0 364.402 0.805 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075960567 208066080 /nfs/dbraw/zinc/06/60/80/208066080.db2.gz LZOLZIQOIBPWNZ-GOEBONIOSA-N 1 0 353.419 0.723 10 5 FCBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000116785243 208333630 /nfs/dbraw/zinc/33/36/30/208333630.db2.gz FBAXUPBAKNMKPG-CQSZACIVSA-N 1 0 360.374 0.578 10 5 FCBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000116978095 208338627 /nfs/dbraw/zinc/33/86/27/208338627.db2.gz AFCMKPZKUZTZHY-GFCCVEGCSA-N 1 0 360.370 0.839 10 5 FCBERO CN1CC[NH+]([C@H]2CCCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000176674801 209008728 /nfs/dbraw/zinc/00/87/28/209008728.db2.gz QTQFUDALMRGYCB-HNNXBMFYSA-N 1 0 364.450 0.810 10 5 FCBERO CNS(=O)(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131404 488159039 /nfs/dbraw/zinc/15/90/39/488159039.db2.gz CGZUBHSRPWGZRT-GFCCVEGCSA-N 1 0 372.447 0.762 10 5 FCBERO CC[NH+]1CCN(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000073796230 488386401 /nfs/dbraw/zinc/38/64/01/488386401.db2.gz YZCLNYTUHIDCAC-AWEZNQCLSA-N 1 0 362.434 0.640 10 5 FCBERO CC[NH+]1CCN(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000073796231 488386507 /nfs/dbraw/zinc/38/65/07/488386507.db2.gz YZCLNYTUHIDCAC-CQSZACIVSA-N 1 0 362.434 0.640 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000268411482 488416443 /nfs/dbraw/zinc/41/64/43/488416443.db2.gz ASDKGQJUIVBASF-UHFFFAOYSA-N 1 0 363.418 0.290 10 5 FCBERO CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247580119 488488482 /nfs/dbraw/zinc/48/84/82/488488482.db2.gz IIQNQKOEILZZGZ-WFASDCNBSA-N 1 0 350.419 0.971 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000261665997 488529916 /nfs/dbraw/zinc/52/99/16/488529916.db2.gz HEDYSJYWQLFBPD-UHFFFAOYSA-N 1 0 368.459 0.901 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262155947 488553803 /nfs/dbraw/zinc/55/38/03/488553803.db2.gz GLSSGTQXPGMJPX-ZDUSSCGKSA-N 1 0 370.431 0.272 10 5 FCBERO O=c1n(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc2ccccn21 ZINC000118865956 488554402 /nfs/dbraw/zinc/55/44/02/488554402.db2.gz HGUDCKRWPVBUKO-ZDUSSCGKSA-N 1 0 369.385 0.986 10 5 FCBERO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000125340891 488600238 /nfs/dbraw/zinc/60/02/38/488600238.db2.gz OIUVDVASIKLTSN-UHFFFAOYSA-N 1 0 360.374 0.608 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000563121474 491218302 /nfs/dbraw/zinc/21/83/02/491218302.db2.gz AWVOXGALDQXEQQ-OAHLLOKOSA-N 1 0 369.399 0.756 10 5 FCBERO Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174784695 488851093 /nfs/dbraw/zinc/85/10/93/488851093.db2.gz SFRJDZPNRZEMAM-HOCLYGCPSA-N 1 0 363.422 0.773 10 5 FCBERO CN(c1cccnn1)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174781299 488851141 /nfs/dbraw/zinc/85/11/41/488851141.db2.gz XCDBVYWCTIFLQJ-OAHLLOKOSA-N 1 0 361.406 0.543 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000363219482 489439417 /nfs/dbraw/zinc/43/94/17/489439417.db2.gz SGHODSQASIUTEJ-AWEZNQCLSA-N 1 0 363.418 0.435 10 5 FCBERO C[N@@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299523993 489451532 /nfs/dbraw/zinc/45/15/32/489451532.db2.gz PFMQAFDKQAARFN-CYBMUJFWSA-N 1 0 356.404 0.084 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451879661 489527120 /nfs/dbraw/zinc/52/71/20/489527120.db2.gz RXWSMZWMDPSKCT-GXFFZTMASA-N 1 0 369.399 0.706 10 5 FCBERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290087 489567094 /nfs/dbraw/zinc/56/70/94/489567094.db2.gz VBGNPVJWDZLVIZ-IACUBPJLSA-N 1 0 356.379 0.195 10 5 FCBERO Cc1nn(CCC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000416302738 489581052 /nfs/dbraw/zinc/58/10/52/489581052.db2.gz WYNDDJZCGVHAFH-RYUDHWBXSA-N 1 0 353.423 0.712 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)n1 ZINC000427684715 489617672 /nfs/dbraw/zinc/61/76/72/489617672.db2.gz IFMXPCWCRKQNSY-UHFFFAOYSA-N 1 0 352.439 0.957 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)n1 ZINC000427704852 489618135 /nfs/dbraw/zinc/61/81/35/489618135.db2.gz LQQNKAQJOWPLJJ-LBPRGKRZSA-N 1 0 368.438 0.634 10 5 FCBERO CC1(C)NC(=O)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000494902873 489919041 /nfs/dbraw/zinc/91/90/41/489919041.db2.gz KIBGWNVNDDQVKX-CYBMUJFWSA-N 1 0 370.431 0.520 10 5 FCBERO CC1(C)CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000477349702 489959281 /nfs/dbraw/zinc/95/92/81/489959281.db2.gz MTERCEBKIAMLJY-UHFFFAOYSA-N 1 0 370.431 0.474 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000420452771 489979856 /nfs/dbraw/zinc/97/98/56/489979856.db2.gz CMPGEEDFCUXXPO-RYUDHWBXSA-N 1 0 357.436 0.964 10 5 FCBERO C[NH+](C)C1CCN(c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)nc2)CC1 ZINC000478323441 490015541 /nfs/dbraw/zinc/01/55/41/490015541.db2.gz OMPSEFSPSAGPGZ-UHFFFAOYSA-N 1 0 374.405 0.750 10 5 FCBERO COc1c[nH+]ccc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000478468771 490021421 /nfs/dbraw/zinc/02/14/21/490021421.db2.gz KDRBLLLYDMCUDT-UHFFFAOYSA-N 1 0 373.369 0.509 10 5 FCBERO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C1CC[NH+](C)CC1 ZINC000408078919 490242033 /nfs/dbraw/zinc/24/20/33/490242033.db2.gz KYCJFBBZVMBAHS-GFCCVEGCSA-N 1 0 350.423 0.569 10 5 FCBERO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000571551507 491315357 /nfs/dbraw/zinc/31/53/57/491315357.db2.gz AZHYNPFVABWJIH-XYPHTWIQSA-N 1 0 373.413 0.931 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000522043676 490334060 /nfs/dbraw/zinc/33/40/60/490334060.db2.gz ZSTRVGLONQSXRP-UHFFFAOYSA-N 1 0 374.401 0.977 10 5 FCBERO CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)NCC[NH+](C)C ZINC000536297262 490566913 /nfs/dbraw/zinc/56/69/13/490566913.db2.gz LVTZCVQSHBIXGL-ZDUSSCGKSA-N 1 0 353.423 0.756 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487072039 490691266 /nfs/dbraw/zinc/69/12/66/490691266.db2.gz GGZABMNNLHODQQ-HNNXBMFYSA-N 1 0 358.402 0.867 10 5 FCBERO Cc1c(C(=O)N(C)CCC[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000538315007 490725579 /nfs/dbraw/zinc/72/55/79/490725579.db2.gz AUJLRTXCAXSILG-UHFFFAOYSA-N 1 0 358.420 0.574 10 5 FCBERO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000513972873 490756224 /nfs/dbraw/zinc/75/62/24/490756224.db2.gz LLXDQPGKDZGTOY-CQSZACIVSA-N 1 0 368.459 0.998 10 5 FCBERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514591625 490772465 /nfs/dbraw/zinc/77/24/65/490772465.db2.gz VQFIKDWLMXYIGN-LBPRGKRZSA-N 1 0 370.360 0.819 10 5 FCBERO COC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000515854301 490841268 /nfs/dbraw/zinc/84/12/68/490841268.db2.gz UPKVETZNPSWAQR-CYBMUJFWSA-N 1 0 353.375 0.369 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000562646605 491177915 /nfs/dbraw/zinc/17/79/15/491177915.db2.gz DUPZCYZCEXIFPV-AVGNSLFASA-N 1 0 350.423 0.895 10 5 FCBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)n1 ZINC000574254946 491484160 /nfs/dbraw/zinc/48/41/60/491484160.db2.gz ZCRAXSNAENLLKR-HUUCEWRRSA-N 1 0 354.407 0.985 10 5 FCBERO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000568057236 491550730 /nfs/dbraw/zinc/55/07/30/491550730.db2.gz XRIXRZUIQQFDQB-UHFFFAOYSA-N 1 0 373.431 0.993 10 5 FCBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000575749008 491558376 /nfs/dbraw/zinc/55/83/76/491558376.db2.gz KVUVFHMFXGCJIF-HOTGVXAUSA-N 1 0 353.419 0.771 10 5 FCBERO CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000578749730 491683486 /nfs/dbraw/zinc/68/34/86/491683486.db2.gz AMQNEFVUJZNUNT-CYBMUJFWSA-N 1 0 356.404 0.165 10 5 FCBERO COC(=O)c1cc(C)nc(NCCCN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000587607407 491735458 /nfs/dbraw/zinc/73/54/58/491735458.db2.gz BQCDSCPFHUVFAP-UHFFFAOYSA-N 1 0 365.434 1.524 10 5 FCBERO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000581192984 491763254 /nfs/dbraw/zinc/76/32/54/491763254.db2.gz CNLZCHCXHSPIJY-TXEJJXNPSA-N 1 0 368.415 0.226 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000590441960 491776840 /nfs/dbraw/zinc/77/68/40/491776840.db2.gz DQJVKOMBHLUWRT-AVGNSLFASA-N 1 0 362.386 0.955 10 5 FCBERO C[NH+]1CCC2(CC1)CN(c1cccc(S(N)(=O)=O)c1[N+](=O)[O-])CCO2 ZINC000591991260 491827119 /nfs/dbraw/zinc/82/71/19/491827119.db2.gz IRUABELQHOUYJQ-UHFFFAOYSA-N 1 0 370.431 0.543 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592081893 491831109 /nfs/dbraw/zinc/83/11/09/491831109.db2.gz CVRKKKRURCFTDL-SECBINFHSA-N 1 0 362.433 0.397 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc1 ZINC000595384426 491926376 /nfs/dbraw/zinc/92/63/76/491926376.db2.gz KVNHXVMCFKUOLV-ZDUSSCGKSA-N 1 0 356.404 0.210 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 ZINC000595798771 491954244 /nfs/dbraw/zinc/95/42/44/491954244.db2.gz GMLRQDPREGCLBK-UHFFFAOYSA-N 1 0 353.375 0.609 10 5 FCBERO CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595920265 491961448 /nfs/dbraw/zinc/96/14/48/491961448.db2.gz PLUPODXSNODAHV-NSHDSACASA-N 1 0 370.431 0.693 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595990370 491970044 /nfs/dbraw/zinc/97/00/44/491970044.db2.gz QGDULELZRVERBF-CHWSQXEVSA-N 1 0 353.354 0.292 10 5 FCBERO NS(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537870 491989048 /nfs/dbraw/zinc/98/90/48/491989048.db2.gz IYFQCQPHWXBUBW-LBPRGKRZSA-N 1 0 370.431 0.278 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000596567365 491991261 /nfs/dbraw/zinc/99/12/61/491991261.db2.gz LXBSDJBHKBKPBN-GFCCVEGCSA-N 1 0 372.447 0.789 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597574876 492048790 /nfs/dbraw/zinc/04/87/90/492048790.db2.gz SRDMOAZFLFYMLU-MRXNPFEDSA-N 1 0 351.359 0.852 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000597876640 492071821 /nfs/dbraw/zinc/07/18/21/492071821.db2.gz CLSFNTOBBLZRAG-UHFFFAOYSA-N 1 0 351.407 0.799 10 5 FCBERO CCN(C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000597943874 492074202 /nfs/dbraw/zinc/07/42/02/492074202.db2.gz ACRWGVXGGAXGLG-LLVKDONJSA-N 1 0 370.431 0.717 10 5 FCBERO Cc1c(C(=O)N(C)CC2C[NH+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598163487 492086696 /nfs/dbraw/zinc/08/66/96/492086696.db2.gz PRUMBDPOKRZUMT-UHFFFAOYSA-N 1 0 356.404 0.184 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598165503 492086994 /nfs/dbraw/zinc/08/69/94/492086994.db2.gz YDCWKOGROYPEFV-GFCCVEGCSA-N 1 0 350.375 0.812 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000598539088 492104029 /nfs/dbraw/zinc/10/40/29/492104029.db2.gz FGEZBDIJEHJGOC-AWEZNQCLSA-N 1 0 352.391 0.326 10 5 FCBERO CNc1nccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598538592 492104255 /nfs/dbraw/zinc/10/42/55/492104255.db2.gz BTTSZECQIVNHFO-LBPRGKRZSA-N 1 0 351.407 1.214 10 5 FCBERO Nc1cc[nH+]c2c1CN(c1ncnc(N3CCOCC3)c1[N+](=O)[O-])CC2 ZINC000598944122 492126460 /nfs/dbraw/zinc/12/64/60/492126460.db2.gz XDVVAUYVFGQRRT-UHFFFAOYSA-N 1 0 357.374 0.761 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991246 492129095 /nfs/dbraw/zinc/12/90/95/492129095.db2.gz XGGCSKJASIZRNO-ZFWWWQNUSA-N 1 0 354.359 0.776 10 5 FCBERO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599090565 492134578 /nfs/dbraw/zinc/13/45/78/492134578.db2.gz NFQTUTNVFYPGGF-STQMWFEESA-N 1 0 372.451 0.355 10 5 FCBERO COc1c(F)cc(S(=O)(=O)NCC2([NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599101015 492135378 /nfs/dbraw/zinc/13/53/78/492135378.db2.gz GOKJWZLUBFYKGF-UHFFFAOYSA-N 1 0 363.367 0.529 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000599110717 492136527 /nfs/dbraw/zinc/13/65/27/492136527.db2.gz LFQONYJPGMHYCX-LBPRGKRZSA-N 1 0 373.435 0.108 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000599247807 492148541 /nfs/dbraw/zinc/14/85/41/492148541.db2.gz UJALIVAQGDMOFM-LBPRGKRZSA-N 1 0 357.436 0.681 10 5 FCBERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256076 492149868 /nfs/dbraw/zinc/14/98/68/492149868.db2.gz RCEVCAKECDVBGM-UTUOFQBUSA-N 1 0 359.452 0.973 10 5 FCBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000599605123 492193196 /nfs/dbraw/zinc/19/31/96/492193196.db2.gz SLAQSGSESHGSME-UHFFFAOYSA-N 1 0 362.390 0.770 10 5 FCBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]21 ZINC000599656400 492197315 /nfs/dbraw/zinc/19/73/15/492197315.db2.gz IPQDNJZBMAOFTB-XQLPTFJDSA-N 1 0 352.391 0.816 10 5 FCBERO [NH3+]C1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000599887215 492214232 /nfs/dbraw/zinc/21/42/32/492214232.db2.gz BJLBWLLNCMZEMD-UHFFFAOYSA-N 1 0 356.766 0.811 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599894324 492214892 /nfs/dbraw/zinc/21/48/92/492214892.db2.gz WRJGQDKIJTZWCP-UHFFFAOYSA-N 1 0 354.363 0.236 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000599894370 492214917 /nfs/dbraw/zinc/21/49/17/492214917.db2.gz XIVHAPJCNZZAEP-UHFFFAOYSA-N 1 0 352.391 0.845 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000618924326 492243388 /nfs/dbraw/zinc/24/33/88/492243388.db2.gz XOVWDRBKYBEQRH-KRWDZBQOSA-N 1 0 374.401 0.704 10 5 FCBERO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000610869943 492265472 /nfs/dbraw/zinc/26/54/72/492265472.db2.gz IMYTUUABOUVKEV-UHFFFAOYSA-N 1 0 374.401 0.650 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000619873727 492280459 /nfs/dbraw/zinc/28/04/59/492280459.db2.gz SEBGKPQOTWJHAG-AWEZNQCLSA-N 1 0 370.413 0.900 10 5 FCBERO COC(=O)c1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc([N+](=O)[O-])c1 ZINC000619873327 492280619 /nfs/dbraw/zinc/28/06/19/492280619.db2.gz DJBCOHNUCMGPEN-OAHLLOKOSA-N 1 0 362.386 0.501 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000619879623 492281609 /nfs/dbraw/zinc/28/16/09/492281609.db2.gz LYDIWWUEACMHKO-HNNXBMFYSA-N 1 0 371.401 0.295 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 ZINC000453030963 536465992 /nfs/dbraw/zinc/46/59/92/536465992.db2.gz IHWAVXMCNFTSGI-AGIUHOORSA-N 1 0 362.386 0.955 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 ZINC000453030965 536466059 /nfs/dbraw/zinc/46/60/59/536466059.db2.gz IHWAVXMCNFTSGI-UPJWGTAASA-N 1 0 362.386 0.955 10 5 FCBERO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000593064615 546925883 /nfs/dbraw/zinc/92/58/83/546925883.db2.gz RXZZVQIVEZAKHX-QWHCGFSZSA-N 1 0 351.359 0.974 10 5 FCBERO COc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592871539 546958132 /nfs/dbraw/zinc/95/81/32/546958132.db2.gz JJKRWVQJLUPXRR-NSHDSACASA-N 1 0 350.375 0.795 10 5 FCBERO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593562908 546976242 /nfs/dbraw/zinc/97/62/42/546976242.db2.gz PZLBNNMCFLUEPS-UHFFFAOYSA-N 1 0 358.420 0.503 10 5 FCBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593622710 546984332 /nfs/dbraw/zinc/98/43/32/546984332.db2.gz SOLZXXQCCNNNIM-UHFFFAOYSA-N 1 0 370.431 0.298 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593918999 546994866 /nfs/dbraw/zinc/99/48/66/546994866.db2.gz LQBDWCLRIYMMNO-MCIONIFRSA-N 1 0 351.407 0.987 10 5 FCBERO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000594027101 546996056 /nfs/dbraw/zinc/99/60/56/546996056.db2.gz LYOFXTJPSUJCFT-NWDGAFQWSA-N 1 0 354.794 0.938 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594212519 546996953 /nfs/dbraw/zinc/99/69/53/546996953.db2.gz YHISRYLGVGFYNK-UONOGXRCSA-N 1 0 350.375 0.564 10 5 FCBERO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753032 547003604 /nfs/dbraw/zinc/00/36/04/547003604.db2.gz HNCJLBMEXDEUSJ-UHFFFAOYSA-N 1 0 357.436 0.248 10 5 FCBERO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCCO1 ZINC000594769781 547007817 /nfs/dbraw/zinc/00/78/17/547007817.db2.gz KMRNJKWBIRYZRG-LBPRGKRZSA-N 1 0 358.420 0.769 10 5 FCBERO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594774512 547008813 /nfs/dbraw/zinc/00/88/13/547008813.db2.gz FVANTBMVDVCILP-BZPMIXESSA-N 1 0 370.431 0.862 10 5 FCBERO C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594771512 547008960 /nfs/dbraw/zinc/00/89/60/547008960.db2.gz UUFSNDGCJLBLQH-LBPRGKRZSA-N 1 0 370.431 0.864 10 5 FCBERO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])cc1S(N)(=O)=O)CCO2 ZINC000826773073 669514796 /nfs/dbraw/zinc/51/47/96/669514796.db2.gz LTAZVNXTKWHJPK-UHFFFAOYSA-N 1 0 370.431 0.543 10 5 FCBERO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000841302067 670546697 /nfs/dbraw/zinc/54/66/97/670546697.db2.gz KNXYSBVJAQUDDN-UHFFFAOYSA-N 1 0 352.322 0.182 10 5 FCBERO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848583458 671284528 /nfs/dbraw/zinc/28/45/28/671284528.db2.gz QZSRZHURNGXBAW-LBPRGKRZSA-N 1 0 358.345 0.928 10 5 FCBERO O=C1O[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848678772 671289743 /nfs/dbraw/zinc/28/97/43/671289743.db2.gz NUNNGXGMDTUDFC-OLZOCXBDSA-N 1 0 351.359 0.907 10 5 FCBERO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000903427616 675929617 /nfs/dbraw/zinc/92/96/17/675929617.db2.gz ZIXOMQBWTXGROF-KGLIPLIRSA-N 1 0 368.459 0.757 10 5 FCBERO CN(CC[NH2+]CC(=O)NCc1cc(F)cc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696798 1170090254 /nfs/dbraw/zinc/09/02/54/1170090254.db2.gz SNLPOOQEPSGKCJ-ZIAGYGMSSA-N 1 0 370.356 0.294 10 5 FCBERO CN(CCC1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001746778469 1178925702 /nfs/dbraw/zinc/92/57/02/1178925702.db2.gz LPIMGLNOTSABOI-HZPDHXFCSA-N 1 0 366.462 0.835 10 5 FCBERO CCn1nnc(C)c1C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001482042437 1187585178 /nfs/dbraw/zinc/58/51/78/1187585178.db2.gz KKMYKGMIRJLFEU-HUUCEWRRSA-N 1 0 364.450 0.990 10 5 FCBERO COc1coc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1=O ZINC001269545484 1187856070 /nfs/dbraw/zinc/85/60/70/1187856070.db2.gz RQOLHFYKIBZIQH-CHWSQXEVSA-N 1 0 365.386 0.832 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053100 1193765481 /nfs/dbraw/zinc/76/54/81/1193765481.db2.gz WXBFCIUKUZPFAO-UHFFFAOYSA-N 1 0 363.418 0.548 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC([NH+]2CCCC2)C1 ZINC000898614801 1194052392 /nfs/dbraw/zinc/05/23/92/1194052392.db2.gz VHFOQRNRZKJGBE-UHFFFAOYSA-N 1 0 360.370 0.627 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000906730643 1195651157 /nfs/dbraw/zinc/65/11/57/1195651157.db2.gz KOOUQNADHFZSED-CQSZACIVSA-N 1 0 362.434 0.496 10 5 FCBERO CC1(OCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]C1 ZINC000592534661 1196566254 /nfs/dbraw/zinc/56/62/54/1196566254.db2.gz GRJKARJFMMCBHD-UHFFFAOYSA-N 1 0 362.386 0.258 10 5 FCBERO C[NH+](C)CCN1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1=O ZINC000593052690 1196605926 /nfs/dbraw/zinc/60/59/26/1196605926.db2.gz UUIGDHLLENYDLE-UHFFFAOYSA-N 1 0 374.401 0.851 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000592431665 1196621933 /nfs/dbraw/zinc/62/19/33/1196621933.db2.gz WWOXHFOGUOOBRG-GXTWGEPZSA-N 1 0 370.356 0.871 10 5 FCBERO Cc1nn(CCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c(C)c1[N+](=O)[O-] ZINC000593234192 1196765526 /nfs/dbraw/zinc/76/55/26/1196765526.db2.gz GKXMXNDWWCQAMY-UHFFFAOYSA-N 1 0 366.422 0.031 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593321678 1196769985 /nfs/dbraw/zinc/76/99/85/1196769985.db2.gz XMLAINOHPOBWOO-UHFFFAOYSA-N 1 0 363.418 0.553 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593486213 1196791876 /nfs/dbraw/zinc/79/18/76/1196791876.db2.gz QDJVKYQCKLOIPW-UHFFFAOYSA-N 1 0 364.402 0.900 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000593769554 1196819724 /nfs/dbraw/zinc/81/97/24/1196819724.db2.gz BXAZCOWJOAQOBW-QMTHXVAHSA-N 1 0 366.374 0.364 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1=O ZINC000593784975 1196819954 /nfs/dbraw/zinc/81/99/54/1196819954.db2.gz XCWVGEZCUOENLX-UHFFFAOYSA-N 1 0 359.386 0.922 10 5 FCBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593918056 1196840913 /nfs/dbraw/zinc/84/09/13/1196840913.db2.gz ALXNRYUFYLVJTI-BPLDGKMQSA-N 1 0 364.402 0.644 10 5 FCBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594315448 1196884511 /nfs/dbraw/zinc/88/45/11/1196884511.db2.gz GACVCGJPXIDCGU-QWHCGFSZSA-N 1 0 362.386 0.428 10 5 FCBERO COCC[NH2+]Cc1ccn(Cc2cn(-c3ccc([N+](=O)[O-])cn3)nn2)n1 ZINC000594650079 1196916663 /nfs/dbraw/zinc/91/66/63/1196916663.db2.gz QWGPZCBXXRAEKD-UHFFFAOYSA-N 1 0 358.362 0.551 10 5 FCBERO CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)NCC[NH+](C)C ZINC000787163756 1200869934 /nfs/dbraw/zinc/86/99/34/1200869934.db2.gz XDCWDKGLGWZOSE-HNNXBMFYSA-N 1 0 365.434 0.999 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170469318 1201461869 /nfs/dbraw/zinc/46/18/69/1201461869.db2.gz NGMZXIZJSRTKKH-PHIMTYICSA-N 1 0 362.342 0.136 10 5 FCBERO COC(=O)c1cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001136874622 1203293999 /nfs/dbraw/zinc/29/39/99/1203293999.db2.gz RPGKYTWWOYWVBB-IAQYHMDHSA-N 1 0 364.402 0.746 10 5 FCBERO C[NH+](C)CCN1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1=O ZINC000844722067 1204430889 /nfs/dbraw/zinc/43/08/89/1204430889.db2.gz PMAFBSIMJXEEJG-UHFFFAOYSA-N 1 0 363.374 0.166 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844762157 1204434406 /nfs/dbraw/zinc/43/44/06/1204434406.db2.gz KSIRBIMZUJERSE-UHFFFAOYSA-N 1 0 370.356 0.919 10 5 FCBERO O=[N+]([O-])c1cc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)ccc1-n1cncn1 ZINC000844918774 1204445334 /nfs/dbraw/zinc/44/53/34/1204445334.db2.gz DKMODAMXFKVNRY-ZBEGNZNMSA-N 1 0 369.341 0.713 10 5 FCBERO CCOC(=O)CNC(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001192379647 1207829246 /nfs/dbraw/zinc/82/92/46/1207829246.db2.gz HUOUVXZQOIGTLX-UHFFFAOYSA-N 1 0 367.406 0.491 10 5 FCBERO CN(CCC[NH+](C)C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000855416309 1209668816 /nfs/dbraw/zinc/66/88/16/1209668816.db2.gz KFLPAWYNNSEICJ-UHFFFAOYSA-N 1 0 362.434 0.944 10 5 FCBERO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001164123319 1223235582 /nfs/dbraw/zinc/23/55/82/1223235582.db2.gz HKYCKLJMCOVZQF-NWDGAFQWSA-N 1 0 363.370 0.647 10 5 FCBERO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306347 1245364247 /nfs/dbraw/zinc/36/42/47/1245364247.db2.gz PMGOUBBMCYXWJB-OZVIIMIRSA-N 1 0 360.370 0.365 10 5 FCBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001261876873 1260206236 /nfs/dbraw/zinc/20/62/36/1260206236.db2.gz RKTOUKYJRUHNSN-GDBMZVCRSA-N 1 0 360.414 0.949 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N2CC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001472857043 1261484974 /nfs/dbraw/zinc/48/49/74/1261484974.db2.gz UUHPAVHOBREFLM-HNNXBMFYSA-N 1 0 372.447 0.348 10 5 FCBERO CN(Cc1cccs1)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001480137724 1263425245 /nfs/dbraw/zinc/42/52/45/1263425245.db2.gz KQUZUEBDERKCPO-HBJVGIJOSA-N 1 0 366.443 0.609 10 5 FCBERO COc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)ccn1 ZINC001484182356 1263456592 /nfs/dbraw/zinc/45/65/92/1263456592.db2.gz SISIAZSPTLXFEI-ZIAGYGMSSA-N 1 0 364.402 0.510 10 5 FCBERO CN(CC1CCCCC1)C(=O)CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001318118759 1263544875 /nfs/dbraw/zinc/54/48/75/1263544875.db2.gz AWWITDKWCLAQTL-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO O=C(NCC[N@H+](CC1CCS(=O)(=O)CC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493369883 1263719958 /nfs/dbraw/zinc/71/99/58/1263719958.db2.gz AMGHUIRNWNFGJF-ZIAGYGMSSA-N 1 0 359.448 0.057 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc21 ZINC001497583339 1263942042 /nfs/dbraw/zinc/94/20/42/1263942042.db2.gz LUNMUTBFOQQHIQ-YMBFEGSUSA-N 1 0 358.398 0.503 10 5 FCBERO CN(CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)C[NH+]1CCCC1 ZINC001500688917 1264082341 /nfs/dbraw/zinc/08/23/41/1264082341.db2.gz WANXOILACWOVSW-HZPDHXFCSA-N 1 0 366.462 0.835 10 5 FCBERO Cn1cncc1C[NH2+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001506483052 1264323809 /nfs/dbraw/zinc/32/38/09/1264323809.db2.gz NQKMFODZPXRKNX-HZPDHXFCSA-N 1 0 365.434 0.573 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001332996969 1266519668 /nfs/dbraw/zinc/51/96/68/1266519668.db2.gz IVOZOXUWPVRJQZ-VDISTLRHSA-N 1 0 364.402 0.676 10 5 FCBERO CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1cncn1C ZINC001334086186 1266813656 /nfs/dbraw/zinc/81/36/56/1266813656.db2.gz XRBNQNMLEPGSGP-ZIAGYGMSSA-N 1 0 365.434 0.619 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2C1 ZINC001538046032 1267390347 /nfs/dbraw/zinc/39/03/47/1267390347.db2.gz GMBFGXFPMCVDJG-COLVAYQJSA-N 1 0 372.381 0.647 10 5 FCBERO CN1N=C(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CCC1=O ZINC001538737197 1267412775 /nfs/dbraw/zinc/41/27/75/1267412775.db2.gz PMCIRGLWXJUTKI-UHFFFAOYSA-N 1 0 374.401 0.893 10 5 FCBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001546226172 1267640835 /nfs/dbraw/zinc/64/08/35/1267640835.db2.gz HDJPNYVWINCQJM-SECBINFHSA-N 1 0 372.813 0.644 10 5 FCBERO CC(=O)N1CCN(c2ccc(C(=O)NOC[C@H](C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC001340455479 1268553297 /nfs/dbraw/zinc/55/32/97/1268553297.db2.gz AIVYCVNYWHSHMB-NSHDSACASA-N 1 0 365.390 0.272 10 5 FCBERO C[NH+]1CCC(O)(CNC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001566036442 1269566461 /nfs/dbraw/zinc/56/64/61/1269566461.db2.gz MEWGLKACIDQIHZ-UHFFFAOYSA-N 1 0 360.374 0.362 10 5 FCBERO CN(CCC[NH2+]Cc1ccc2oc(=O)n(C)c2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001569201872 1269769867 /nfs/dbraw/zinc/76/98/67/1269769867.db2.gz NYHRWGZAKRFBSO-CHWSQXEVSA-N 1 0 362.386 0.735 10 5 FCBERO C[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)CC1 ZINC001571905468 1269979528 /nfs/dbraw/zinc/97/95/28/1269979528.db2.gz JHTJAESTHRTTQG-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO CN(CC[NH2+]CC(=O)Nc1cc(F)ccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714702709 1287330737 /nfs/dbraw/zinc/33/07/37/1287330737.db2.gz CIPSDJATVPKYNZ-ZWNOBZJWSA-N 1 0 356.329 0.617 10 5 FCBERO CS(=O)(=O)c1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001715812707 1287361342 /nfs/dbraw/zinc/36/13/42/1287361342.db2.gz IKVKEJDROUMUSF-SWVJOTTGSA-N 1 0 367.427 0.517 10 5 FCBERO Cn1c(=O)oc2ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC001715817098 1287362059 /nfs/dbraw/zinc/36/20/59/1287362059.db2.gz QECQGPYQFZUJIQ-XCUNLHGCSA-N 1 0 360.370 0.559 10 5 FCBERO Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)sn1 ZINC001717262551 1287415198 /nfs/dbraw/zinc/41/51/98/1287415198.db2.gz JTJRKBZUHXRUDI-CHWSQXEVSA-N 1 0 354.432 0.872 10 5 FCBERO CN(C)C(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001718034515 1287454029 /nfs/dbraw/zinc/45/40/29/1287454029.db2.gz LDPGTDYMCIJMQH-TZMCWYRMSA-N 1 0 352.366 0.285 10 5 FCBERO O=C(C[NH+]1CCCC1)N1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001582689269 1281895263 /nfs/dbraw/zinc/89/52/63/1281895263.db2.gz XSABNCUCPCFXBI-HUUCEWRRSA-N 1 0 352.435 0.492 10 5 FCBERO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC001631757698 1282109059 /nfs/dbraw/zinc/10/90/59/1282109059.db2.gz PWVKZZIGDCBIMX-NSHDSACASA-N 1 0 365.386 0.941 10 5 FCBERO CCO[C@H](CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C[NH+](C)C ZINC001584104371 1282135900 /nfs/dbraw/zinc/13/59/00/1282135900.db2.gz HAPYYIAQVWTPJQ-GFCCVEGCSA-N 1 0 366.374 0.586 10 5 FCBERO O=C(N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001636312367 1282483614 /nfs/dbraw/zinc/48/36/14/1282483614.db2.gz DSXQFTRSPXMTBC-QWHCGFSZSA-N 1 0 350.375 0.803 10 5 FCBERO Cc1c(C(=O)N2CC(N3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001639827118 1282817957 /nfs/dbraw/zinc/81/79/57/1282817957.db2.gz GNRRJMIWMJWUDG-UHFFFAOYSA-N 1 0 363.374 0.883 10 5 FCBERO CCC[N@H+](C)CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001718981784 1287604965 /nfs/dbraw/zinc/60/49/65/1287604965.db2.gz IBGLWXNRJJPJOM-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001641111474 1282924365 /nfs/dbraw/zinc/92/43/65/1282924365.db2.gz VLUNLNYGGMBLLQ-OAHLLOKOSA-N 1 0 351.403 0.980 10 5 FCBERO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)CCO)cc1OC ZINC001641452543 1282950890 /nfs/dbraw/zinc/95/08/90/1282950890.db2.gz FNXKIRGPVVUFTM-UHFFFAOYSA-N 1 0 355.391 0.998 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001642422554 1283008282 /nfs/dbraw/zinc/00/82/82/1283008282.db2.gz UKSMFESUJNEPQO-UHFFFAOYSA-N 1 0 362.386 0.904 10 5 FCBERO CC(C)N(CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001704437906 1286250457 /nfs/dbraw/zinc/25/04/57/1286250457.db2.gz LIZYOCPNJIFHIS-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001596175534 1286287588 /nfs/dbraw/zinc/28/75/88/1286287588.db2.gz PLMGOHFAOQSNRI-TZMCWYRMSA-N 1 0 362.434 0.670 10 5 FCBERO CC(C)(C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC001721396001 1288333535 /nfs/dbraw/zinc/33/35/35/1288333535.db2.gz MPIOSVYRNLQMLE-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO COc1nscc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001724357092 1288436952 /nfs/dbraw/zinc/43/69/52/1288436952.db2.gz XPVYAKZJBFSQQS-VXGBXAGGSA-N 1 0 370.431 0.572 10 5 FCBERO O=C(C[NH2+]C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCC1 ZINC001724609258 1288447312 /nfs/dbraw/zinc/44/73/12/1288447312.db2.gz WHYFGTZARPSSSH-KLHDSHLOSA-N 1 0 366.462 0.786 10 5 FCBERO CCC(CC)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724954336 1288456656 /nfs/dbraw/zinc/45/66/56/1288456656.db2.gz GPCTWHATKAVGCW-ZIAGYGMSSA-N 1 0 354.451 0.927 10 5 FCBERO O=C(N[C@H]1CC[C@H]([NH2+]CCCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732307166 1288580901 /nfs/dbraw/zinc/58/09/01/1288580901.db2.gz RWLAJGKGFUJTAH-KBUPBQIOSA-N 1 0 352.435 0.681 10 5 FCBERO CC(C)N(C)C(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001732292531 1288581009 /nfs/dbraw/zinc/58/10/09/1288581009.db2.gz OKFDQVDTXHIZQU-HUUCEWRRSA-N 1 0 354.451 0.737 10 5 FCBERO CCN(CC[NH2+]CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732775406 1288593486 /nfs/dbraw/zinc/59/34/86/1288593486.db2.gz RREKQBMXESKSOF-VXGBXAGGSA-N 1 0 353.427 0.074 10 5 FCBERO CCCCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001733693301 1288625132 /nfs/dbraw/zinc/62/51/32/1288625132.db2.gz LCRUYHQLIVEPMK-ZIAGYGMSSA-N 1 0 352.435 0.492 10 5 FCBERO Cc1ncc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001700300489 1289592330 /nfs/dbraw/zinc/59/23/30/1289592330.db2.gz GCDVWUCUIBDSMY-CHWSQXEVSA-N 1 0 354.432 0.560 10 5 FCBERO C[N@H+](CC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(C)(C)C ZINC001701961422 1289720565 /nfs/dbraw/zinc/72/05/65/1289720565.db2.gz SEWIBRLKHUWDHP-HUUCEWRRSA-N 1 0 366.462 0.904 10 5 FCBERO C[NH+]1CCC(NC(=O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001615972178 1289767327 /nfs/dbraw/zinc/76/73/27/1289767327.db2.gz WXTYVPSNSXRXOO-AWEZNQCLSA-N 1 0 362.434 0.686 10 5 FCBERO C[N@@H+]1CCC[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001616954940 1289807715 /nfs/dbraw/zinc/80/77/15/1289807715.db2.gz ZQXGCHQUFFFLFV-LBPRGKRZSA-N 1 0 370.431 0.331 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001617000545 1289810139 /nfs/dbraw/zinc/81/01/39/1289810139.db2.gz IBSKIYCGTBMMFU-LBPRGKRZSA-N 1 0 368.415 0.456 10 5 FCBERO C[C@]12C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@]1(C)C(=O)NC2=O ZINC001620487909 1289992646 /nfs/dbraw/zinc/99/26/46/1289992646.db2.gz JCPNMDLKOPGUSL-DOPJRALCSA-N 1 0 372.381 0.685 10 5 FCBERO CN1C(=O)[C@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]2C1=O ZINC001620506372 1289994469 /nfs/dbraw/zinc/99/44/69/1289994469.db2.gz BFSOVMJJCCCTLN-MJBXVCDLSA-N 1 0 358.354 0.247 10 5 FCBERO COc1cccc2c1CC[C@@]2(CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620538241 1289998198 /nfs/dbraw/zinc/99/81/98/1289998198.db2.gz RXZLPSCEVANOAH-DYVFJYSZSA-N 1 0 362.386 0.584 10 5 FCBERO C[NH+]1CCN(CCNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001624683409 1290287165 /nfs/dbraw/zinc/28/71/65/1290287165.db2.gz FFFCSTKTDOKVSJ-UHFFFAOYSA-N 1 0 373.417 0.212 10 5 FCBERO CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001627401863 1290460939 /nfs/dbraw/zinc/46/09/39/1290460939.db2.gz BERHOSOWILTXCD-UHFFFAOYSA-N 1 0 370.431 0.427 10 5 FCBERO CC[NH+]1CCC(N2CCCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC001630237727 1290652928 /nfs/dbraw/zinc/65/29/28/1290652928.db2.gz PSPFFBKHGYYGCY-UHFFFAOYSA-N 1 0 364.450 0.961 10 5 FCBERO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C[N@@H+]1C1CC1 ZINC001630423185 1290668844 /nfs/dbraw/zinc/66/88/44/1290668844.db2.gz LFFHDPVWGXJQLB-WDEREUQCSA-N 1 0 357.374 0.926 10 5 FCBERO CC(C)(O)C[C@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001643253345 1290867613 /nfs/dbraw/zinc/86/76/13/1290867613.db2.gz GNRQWRVOUZIIBK-ZDUSSCGKSA-N 1 0 351.403 0.875 10 5 FCBERO COCC[N@H+](C)CCN1C[C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)CC1=O ZINC001651161019 1291199600 /nfs/dbraw/zinc/19/96/00/1291199600.db2.gz NILMPCNKXAQKRQ-LBPRGKRZSA-N 1 0 354.411 0.228 10 5 FCBERO C[C@]12C[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@]1(C)C(=O)NC2=O 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CJMDLPPACHOTRU-ZIAGYGMSSA-N 1 0 354.451 0.879 10 5 FCBERO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001302569636 866340158 /nfs/dbraw/zinc/34/01/58/866340158.db2.gz JXBMRAKRUPHMLU-NWDGAFQWSA-N 1 0 368.415 0.408 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001328353872 871380202 /nfs/dbraw/zinc/38/02/02/871380202.db2.gz LURGTLYYDPEOEA-UHFFFAOYSA-N 1 0 352.778 0.814 10 5 FCBERO CN(CC(F)(F)F)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001330594333 872724235 /nfs/dbraw/zinc/72/42/35/872724235.db2.gz HIDNHCXLJPMRFG-GWOFURMSSA-N 1 0 366.340 0.157 10 5 FCBERO CC1(C)CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CC[C@@H]1[NH3+] ZINC000261958029 209501895 /nfs/dbraw/zinc/50/18/95/209501895.db2.gz ZYDKNRBVLAXKCK-AWEZNQCLSA-N 1 0 362.386 0.906 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245434634 209368056 /nfs/dbraw/zinc/36/80/56/209368056.db2.gz CLMVVPQVROVQOE-MYPMTAMASA-N 1 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Cc1cc(S(=O)(=O)N2CCNC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000181701722 209120015 /nfs/dbraw/zinc/12/00/15/209120015.db2.gz GFEXSTPJSSFKLX-OAHLLOKOSA-N 1 0 365.415 0.972 10 5 FCBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000419327142 246100327 /nfs/dbraw/zinc/10/03/27/246100327.db2.gz CTTRFIASPWZSBZ-KBPBESRZSA-N 1 0 362.430 0.871 10 5 FCBERO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@H]2[NH3+])cn1 ZINC000424395677 247207066 /nfs/dbraw/zinc/20/70/66/247207066.db2.gz VXBFZOOPDKIUEL-VHSXEESVSA-N 1 0 357.417 0.505 10 5 FCBERO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]2C1 ZINC000470462236 250045288 /nfs/dbraw/zinc/04/52/88/250045288.db2.gz QORXLMBGPLOLDO-XQQFMLRXSA-N 1 0 362.386 0.812 10 5 FCBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000116792212 208333133 /nfs/dbraw/zinc/33/31/33/208333133.db2.gz YNONYLDCGZBFER-CYBMUJFWSA-N 1 0 360.374 0.578 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000266594839 210363441 /nfs/dbraw/zinc/36/34/41/210363441.db2.gz AQXJFOUADWTMQP-CYBMUJFWSA-N 1 0 366.418 0.930 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000326452762 488915062 /nfs/dbraw/zinc/91/50/62/488915062.db2.gz UDLUKGUJBITFEZ-JTQLQIEISA-N 1 0 357.388 0.611 10 5 FCBERO COCC[N@@H+]1CCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000068911166 488369826 /nfs/dbraw/zinc/36/98/26/488369826.db2.gz KWSHMNGHRQGRHL-NSHDSACASA-N 1 0 358.420 0.765 10 5 FCBERO CCN(CC)C(=O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075675290 488398227 /nfs/dbraw/zinc/39/82/27/488398227.db2.gz HUIQWRYHRXLTEL-OAHLLOKOSA-N 1 0 353.423 0.733 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000191787284 488421569 /nfs/dbraw/zinc/42/15/69/488421569.db2.gz NXTQKSSAEGQGHW-UHFFFAOYSA-N 1 0 373.417 0.888 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000268526959 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O=[N+]([O-])c1ncccc1S(=O)(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000568375633 491572715 /nfs/dbraw/zinc/57/27/15/491572715.db2.gz ZUKAMPHVGUXYSL-UHFFFAOYSA-N 1 0 369.447 0.485 10 5 FCBERO CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc2[N+](=O)[O-])CC1 ZINC000578505800 491678603 /nfs/dbraw/zinc/67/86/03/491678603.db2.gz KGPXONLASJOUBF-NEPJUHHUSA-N 1 0 363.418 0.729 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590445058 491777199 /nfs/dbraw/zinc/77/71/99/491777199.db2.gz PXDQOUJUXODDOP-ZYHUDNBSSA-N 1 0 354.388 0.018 10 5 FCBERO CN(CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000590539363 491778385 /nfs/dbraw/zinc/77/83/85/491778385.db2.gz SDHCNJAIRJVMPO-KRWDZBQOSA-N 1 0 350.419 0.946 10 5 FCBERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1n1cccn1 ZINC000582058123 491796009 /nfs/dbraw/zinc/79/60/09/491796009.db2.gz PTQJFZRTYVAXAB-BARDWOONSA-N 1 0 350.379 0.357 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000591982786 491826528 /nfs/dbraw/zinc/82/65/28/491826528.db2.gz RMDHYGGEKYWURW-LLVKDONJSA-N 1 0 370.431 0.555 10 5 FCBERO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)C1=O ZINC000583769168 491851561 /nfs/dbraw/zinc/85/15/61/491851561.db2.gz TXKKZWPQSRFLTP-HNNXBMFYSA-N 1 0 362.386 0.725 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594918737 491872010 /nfs/dbraw/zinc/87/20/10/491872010.db2.gz RUNABPCGLOPLSL-ZLKJLUDKSA-N 1 0 371.415 0.660 10 5 FCBERO Cc1c(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595124604 491886006 /nfs/dbraw/zinc/88/60/06/491886006.db2.gz HMYPPAHOLJBECU-UHFFFAOYSA-N 1 0 365.434 0.841 10 5 FCBERO CCC1([NH+]2CCOCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000600684731 491875770 /nfs/dbraw/zinc/87/57/70/491875770.db2.gz YBWVVKSFSSQOAD-UHFFFAOYSA-N 1 0 351.407 0.895 10 5 FCBERO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000595109474 491884241 /nfs/dbraw/zinc/88/42/41/491884241.db2.gz GYPNGDYTHPRJSE-JSGCOSHPSA-N 1 0 370.431 0.897 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH2+]Cc2cccnc2)nc1 ZINC000595105447 491884287 /nfs/dbraw/zinc/88/42/87/491884287.db2.gz OJZYJOQEIRIEDP-UHFFFAOYSA-N 1 0 351.388 0.843 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595108464 491884328 /nfs/dbraw/zinc/88/43/28/491884328.db2.gz QGYGXPWWDPKOOB-ZDUSSCGKSA-N 1 0 365.434 0.922 10 5 FCBERO Cc1cc(NC(=O)C(=O)NCCN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000595125722 491886550 /nfs/dbraw/zinc/88/65/50/491886550.db2.gz ORZYWDRGRNPNAX-UHFFFAOYSA-N 1 0 365.434 0.841 10 5 FCBERO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595215745 491902520 /nfs/dbraw/zinc/90/25/20/491902520.db2.gz OUXWOECYDVZEKS-HNNXBMFYSA-N 1 0 362.386 0.591 10 5 FCBERO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC12CC(C1)C[NH2+]2 ZINC000595274445 491909986 /nfs/dbraw/zinc/90/99/86/491909986.db2.gz WEZLMJZQLJFEOV-UHFFFAOYSA-N 1 0 368.415 0.420 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595279350 491911878 /nfs/dbraw/zinc/91/18/78/491911878.db2.gz IYYDIMIALOVEDZ-UHFFFAOYSA-N 1 0 360.414 0.983 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])n1 ZINC000595384736 491926262 /nfs/dbraw/zinc/92/62/62/491926262.db2.gz LSVDUZVGZIHIRL-LBPRGKRZSA-N 1 0 373.435 0.031 10 5 FCBERO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595384888 491926918 /nfs/dbraw/zinc/92/69/18/491926918.db2.gz PKWOIIWUGIOVIL-OAHLLOKOSA-N 1 0 369.443 0.956 10 5 FCBERO CC(C)[C@H]([NH3+])CCNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000595946935 491963227 /nfs/dbraw/zinc/96/32/27/491963227.db2.gz DNFWTOIYWKMKCH-GFCCVEGCSA-N 1 0 350.375 0.810 10 5 FCBERO Cc1c(C(=O)N2CCOC3(C[NH2+]C3)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000596097703 491975480 /nfs/dbraw/zinc/97/54/80/491975480.db2.gz JMUGMRXGLLFWNX-UHFFFAOYSA-N 1 0 358.358 0.298 10 5 FCBERO CC(C)C[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000596252304 491981298 /nfs/dbraw/zinc/98/12/98/491981298.db2.gz BQLQMIMBNBZFCP-UHFFFAOYSA-N 1 0 351.407 0.666 10 5 FCBERO COC(=O)CNC(=O)c1ccc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000596453496 491986390 /nfs/dbraw/zinc/98/63/90/491986390.db2.gz LJFYEFDOTGWWAO-UHFFFAOYSA-N 1 0 350.375 0.495 10 5 FCBERO CCN(C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000597282532 492027257 /nfs/dbraw/zinc/02/72/57/492027257.db2.gz LJJXKXVVYSYIHU-LBPRGKRZSA-N 1 0 374.401 0.640 10 5 FCBERO CCN(C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597944556 492074134 /nfs/dbraw/zinc/07/41/34/492074134.db2.gz FCVFGTWSIIOEIE-CYBMUJFWSA-N 1 0 364.402 0.886 10 5 FCBERO CCN(C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597944557 492074143 /nfs/dbraw/zinc/07/41/43/492074143.db2.gz FCVFGTWSIIOEIE-ZDUSSCGKSA-N 1 0 364.402 0.886 10 5 FCBERO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598451530 492099211 /nfs/dbraw/zinc/09/92/11/492099211.db2.gz BAOBWGILKJEPSP-LBPRGKRZSA-N 1 0 363.370 0.995 10 5 FCBERO CC[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C[C@H](C)[NH2+]1 ZINC000598535375 492103621 /nfs/dbraw/zinc/10/36/21/492103621.db2.gz CYCBDBDNPOVSKQ-WDEREUQCSA-N 1 0 360.370 0.790 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000599097272 492134853 /nfs/dbraw/zinc/13/48/53/492134853.db2.gz ACLTXKHXEGPFTF-LOWVWBTDSA-N 1 0 373.435 0.378 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)n1 ZINC000599101601 492135119 /nfs/dbraw/zinc/13/51/19/492135119.db2.gz RVCKHGJUXYCGSP-CHWSQXEVSA-N 1 0 365.415 0.752 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)n1 ZINC000599100728 492135388 /nfs/dbraw/zinc/13/53/88/492135388.db2.gz MQKAHFYWFLTGFD-CMPLNLGQSA-N 1 0 369.378 0.583 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)n1 ZINC000599101594 492135429 /nfs/dbraw/zinc/13/54/29/492135429.db2.gz ROGPQJUVEUXQMA-NWDGAFQWSA-N 1 0 369.378 0.583 10 5 FCBERO [NH3+]CCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000599110132 492136386 /nfs/dbraw/zinc/13/63/86/492136386.db2.gz HWQWKZHTIWTMNM-UHFFFAOYSA-N 1 0 354.388 0.787 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000599229075 492145758 /nfs/dbraw/zinc/14/57/58/492145758.db2.gz PKKGQEMTXJTCGN-GFCCVEGCSA-N 1 0 357.436 0.967 10 5 FCBERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256074 492149694 /nfs/dbraw/zinc/14/96/94/492149694.db2.gz RCEVCAKECDVBGM-IJLUTSLNSA-N 1 0 359.452 0.973 10 5 FCBERO CCC1(N2CCOCC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599670449 492198867 /nfs/dbraw/zinc/19/88/67/492198867.db2.gz WEBNVABDELJQLI-INIZCTEOSA-N 1 0 367.450 0.729 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007702 492228389 /nfs/dbraw/zinc/22/83/89/492228389.db2.gz YECJJJQMQZRODV-UHFFFAOYSA-N 1 0 364.402 0.470 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592380918 546947933 /nfs/dbraw/zinc/94/79/33/546947933.db2.gz WIMHLGNJVLCWTF-UHFFFAOYSA-N 1 0 357.388 0.883 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000592367154 546948540 /nfs/dbraw/zinc/94/85/40/546948540.db2.gz JIDAVHSKZCZUGN-SNVBAGLBSA-N 1 0 357.388 0.802 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000592475892 546951565 /nfs/dbraw/zinc/95/15/65/546951565.db2.gz UVSTWRNUXKVMIG-CYBMUJFWSA-N 1 0 354.432 0.511 10 5 FCBERO CC1(OCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C[NH2+]C1 ZINC000592495042 546951787 /nfs/dbraw/zinc/95/17/87/546951787.db2.gz AUBPNXMXCPNOAF-UHFFFAOYSA-N 1 0 368.415 0.319 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000592879470 546960143 /nfs/dbraw/zinc/96/01/43/546960143.db2.gz LWTDFWFKTBSORP-LBPRGKRZSA-N 1 0 350.375 0.552 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000261644701 664866216 /nfs/dbraw/zinc/86/62/16/664866216.db2.gz FEPWDXRNKBGUPE-UHFFFAOYSA-N 1 0 358.420 0.177 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819289670 668994831 /nfs/dbraw/zinc/99/48/31/668994831.db2.gz NVJXNEKZKPSZPZ-CFVMTHIKSA-N 1 0 357.432 0.936 10 5 FCBERO CS(=O)(=O)NCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796257018 669091670 /nfs/dbraw/zinc/09/16/70/669091670.db2.gz YBAYAYFHJBAFMM-HNNXBMFYSA-N 1 0 357.432 0.889 10 5 FCBERO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842895589 670752867 /nfs/dbraw/zinc/75/28/67/670752867.db2.gz YQTPYVXTQDEBDZ-JTQLQIEISA-N 1 0 351.331 0.879 10 5 FCBERO O=C1O[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848678773 671289649 /nfs/dbraw/zinc/28/96/49/671289649.db2.gz NUNNGXGMDTUDFC-QWHCGFSZSA-N 1 0 351.359 0.907 10 5 FCBERO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254266 671681441 /nfs/dbraw/zinc/68/14/41/671681441.db2.gz UDLDIBAFBBOUNT-LLVKDONJSA-N 1 0 352.366 0.987 10 5 FCBERO [NH3+]CC1(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000861521921 671968364 /nfs/dbraw/zinc/96/83/64/671968364.db2.gz VWTYMFVDJBNBFY-UHFFFAOYSA-N 1 0 356.766 0.811 10 5 FCBERO CN(Cc1ccccc1F)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696722 1170089882 /nfs/dbraw/zinc/08/98/82/1170089882.db2.gz PSEYYSRONIDHHG-UKRRQHHQSA-N 1 0 366.393 0.497 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000593051249 1192419898 /nfs/dbraw/zinc/41/98/98/1192419898.db2.gz YMCIUGGFXYODEC-UHFFFAOYSA-N 1 0 364.402 0.587 10 5 FCBERO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CCN1CCNC1=O ZINC001268198331 1186624948 /nfs/dbraw/zinc/62/49/48/1186624948.db2.gz WEGZWDMQPPIDHK-HUUCEWRRSA-N 1 0 367.450 0.237 10 5 FCBERO CN(C(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)C1CC1 ZINC001482029556 1187574740 /nfs/dbraw/zinc/57/47/40/1187574740.db2.gz KWTICWTZMPIBNH-HZPDHXFCSA-N 1 0 360.414 0.678 10 5 FCBERO C[NH+](C)Cc1ccc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001299199109 1191211033 /nfs/dbraw/zinc/21/10/33/1191211033.db2.gz ZANHOGYEOQRYJD-HUUCEWRRSA-N 1 0 360.414 0.792 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000905143164 1195576867 /nfs/dbraw/zinc/57/68/67/1195576867.db2.gz FRLODMHXJJQTAC-UHFFFAOYSA-N 1 0 361.446 0.737 10 5 FCBERO COC(=O)COc1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594613783 1196732826 /nfs/dbraw/zinc/73/28/26/1196732826.db2.gz UUUHVPPIRCCAET-UONOGXRCSA-N 1 0 365.386 0.397 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1=O ZINC000593235732 1196766090 /nfs/dbraw/zinc/76/60/90/1196766090.db2.gz XMHKRUMIDBFRRP-UHFFFAOYSA-N 1 0 373.413 0.782 10 5 FCBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594315452 1196884630 /nfs/dbraw/zinc/88/46/30/1196884630.db2.gz GHPCKGIMISZTHL-UONOGXRCSA-N 1 0 362.386 0.373 10 5 FCBERO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001147775548 1204809689 /nfs/dbraw/zinc/80/96/89/1204809689.db2.gz KUNOIKWUGYIWOQ-DZGCQCFKSA-N 1 0 361.402 0.723 10 5 FCBERO COc1ccc(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001197553371 1208174660 /nfs/dbraw/zinc/17/46/60/1208174660.db2.gz PWXVXTWDYCIDSD-QWHCGFSZSA-N 1 0 364.402 0.683 10 5 FCBERO O=C(CC[NH+]1CCC(O)(COCCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001197921095 1208206046 /nfs/dbraw/zinc/20/60/46/1208206046.db2.gz LBVDJVIPEICGSM-UHFFFAOYSA-N 1 0 367.402 0.759 10 5 FCBERO O=C(C[N@@H+]1CCC2(COC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852683719 1209558546 /nfs/dbraw/zinc/55/85/46/1209558546.db2.gz QRCBCOWKSTVEBX-UHFFFAOYSA-N 1 0 360.414 0.966 10 5 FCBERO CN(C)c1cc(F)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000854353065 1209622441 /nfs/dbraw/zinc/62/24/41/1209622441.db2.gz QIKQCKFRTVLVLX-LBPRGKRZSA-N 1 0 365.409 0.920 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856543139 1209714674 /nfs/dbraw/zinc/71/46/74/1209714674.db2.gz PEKJZZVHJPMCQP-NUEKZKHPSA-N 1 0 374.401 0.003 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H]2C1 ZINC000794928573 1209998211 /nfs/dbraw/zinc/99/82/11/1209998211.db2.gz JCGFWAMPYKBFKH-CRAIPNDOSA-N 1 0 373.457 0.879 10 5 FCBERO CC[NH+]1CCN(CC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001276246414 1211391481 /nfs/dbraw/zinc/39/14/81/1211391481.db2.gz BCVUZKAYQFYMCM-UHFFFAOYSA-N 1 0 365.434 0.289 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000755576687 1220142829 /nfs/dbraw/zinc/14/28/29/1220142829.db2.gz QGTPPMMHSKMZSM-UHFFFAOYSA-N 1 0 367.406 0.957 10 5 FCBERO O=C1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CCN1 ZINC000829352363 1222435014 /nfs/dbraw/zinc/43/50/14/1222435014.db2.gz HWMYNOCIGSRVKM-LLVKDONJSA-N 1 0 360.374 0.922 10 5 FCBERO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001141655068 1222747210 /nfs/dbraw/zinc/74/72/10/1222747210.db2.gz ZSDJMIVZZLXSPP-GFCCVEGCSA-N 1 0 365.386 0.943 10 5 FCBERO O=C(C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001280362552 1261061869 /nfs/dbraw/zinc/06/18/69/1261061869.db2.gz AWGLGHWAZUUJCD-FDYHWXHSSA-N 1 0 365.390 0.543 10 5 FCBERO Cn1nccc1C[NH2+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001282581926 1261540366 /nfs/dbraw/zinc/54/03/66/1261540366.db2.gz LIUALIOPAXYRNP-HZPDHXFCSA-N 1 0 365.434 0.573 10 5 FCBERO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001288991382 1262061838 /nfs/dbraw/zinc/06/18/38/1262061838.db2.gz VOGFAJCEWQISAA-ZDUSSCGKSA-N 1 0 357.370 0.889 10 5 FCBERO CN(C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001479367347 1263187729 /nfs/dbraw/zinc/18/77/29/1263187729.db2.gz INCNPCKFTOYGEC-RRCSTGOVSA-N 1 0 366.462 0.927 10 5 FCBERO COc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)sn1 ZINC001484181855 1263458063 /nfs/dbraw/zinc/45/80/63/1263458063.db2.gz KQYDPJCMHIGLLJ-VXGBXAGGSA-N 1 0 370.431 0.572 10 5 FCBERO CC(C)(C)NC(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001495517201 1263823777 /nfs/dbraw/zinc/82/37/77/1263823777.db2.gz JZPKZMCFPOOGHT-ZIAGYGMSSA-N 1 0 354.451 0.785 10 5 FCBERO O=C(NC/C=C/C[NH2+]Cc1cnnn1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321057789 1263901065 /nfs/dbraw/zinc/90/10/65/1263901065.db2.gz SLOZDBDZXATKIF-FZZYSBJUSA-N 1 0 356.386 0.695 10 5 FCBERO CN(C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001500424866 1264067496 /nfs/dbraw/zinc/06/74/96/1264067496.db2.gz UTIXNMYYYXUHSU-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001327420500 1265312471 /nfs/dbraw/zinc/31/24/71/1265312471.db2.gz CAOUTCBOMYKKKM-GJZGRUSLSA-N 1 0 361.406 0.377 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001334424732 1266993674 /nfs/dbraw/zinc/99/36/74/1266993674.db2.gz SSBGIXUTMKUBOS-DGCLKSJQSA-N 1 0 352.416 0.453 10 5 FCBERO O=C(NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccn(-c2cc[nH+]cc2)n1 ZINC001533490558 1267220206 /nfs/dbraw/zinc/22/02/06/1267220206.db2.gz AGKVTEMOLFMTSJ-HYTVEURUSA-N 1 0 370.369 0.335 10 5 FCBERO CC[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001539361341 1267426354 /nfs/dbraw/zinc/42/63/54/1267426354.db2.gz TZFKHSXYIHPKMC-UHFFFAOYSA-N 1 0 356.404 0.456 10 5 FCBERO COc1cc(CCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC001540521247 1267450329 /nfs/dbraw/zinc/45/03/29/1267450329.db2.gz WJBGSQYLLQVSCG-SJCJKPOMSA-N 1 0 367.402 0.726 10 5 FCBERO C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001565338110 1269464273 /nfs/dbraw/zinc/46/42/73/1269464273.db2.gz PQNHPMJSLUQKCX-CJNGLKHVSA-N 1 0 366.418 0.990 10 5 FCBERO CC(C)CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001566971987 1269671622 /nfs/dbraw/zinc/67/16/22/1269671622.db2.gz ZOUWZKFRSCUYKM-GAGVYUBLSA-N 1 0 364.446 0.345 10 5 FCBERO Cc1nc(C)n(CC[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 ZINC001714132931 1287313247 /nfs/dbraw/zinc/31/32/47/1287313247.db2.gz FOGLETWMHJOYHY-ZIAGYGMSSA-N 1 0 350.423 0.579 10 5 FCBERO Cn1nc(C2CC2)nc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001714133347 1287314688 /nfs/dbraw/zinc/31/46/88/1287314688.db2.gz NBUZTABOCLPYOM-CHWSQXEVSA-N 1 0 362.434 0.876 10 5 FCBERO Cc1cc(NC(=O)C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001714302921 1287319219 /nfs/dbraw/zinc/31/92/19/1287319219.db2.gz PSCIOBRSLJHMBU-FDYHWXHSSA-N 1 0 365.390 0.604 10 5 FCBERO CC(C)NC(=O)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717001008 1287400882 /nfs/dbraw/zinc/40/08/82/1287400882.db2.gz LCCJBFBURHZBPU-KBUPBQIOSA-N 1 0 354.451 0.688 10 5 FCBERO Cn1nnc2cc(C[NH2+]C3(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CCC3)ccc21 ZINC001717149906 1287408690 /nfs/dbraw/zinc/40/86/90/1287408690.db2.gz HAGAONXMYRDUPP-IUODEOHRSA-N 1 0 358.402 0.762 10 5 FCBERO Cc1cc(NC(=O)C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001717639547 1287431401 /nfs/dbraw/zinc/43/14/01/1287431401.db2.gz ROBWZQAFLNUENT-DDHJBXDOSA-N 1 0 351.363 0.071 10 5 FCBERO CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001581833212 1280581686 /nfs/dbraw/zinc/58/16/86/1280581686.db2.gz RCHABWALUZSCMH-HZPDHXFCSA-N 1 0 366.462 0.833 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001583993637 1282129099 /nfs/dbraw/zinc/12/90/99/1282129099.db2.gz DRTHWWAFWQJOGJ-UONOGXRCSA-N 1 0 372.385 0.769 10 5 FCBERO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 ZINC001633496342 1282248035 /nfs/dbraw/zinc/24/80/35/1282248035.db2.gz BWRAHBSEMDXWOO-MRXNPFEDSA-N 1 0 351.359 0.553 10 5 FCBERO CNc1nccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC001638864540 1282728812 /nfs/dbraw/zinc/72/88/12/1282728812.db2.gz SVGZIBFOWHEIDO-UHFFFAOYSA-N 1 0 363.418 0.998 10 5 FCBERO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001704580376 1286267727 /nfs/dbraw/zinc/26/77/27/1286267727.db2.gz IBQBWPLJTNREEE-HUUCEWRRSA-N 1 0 366.462 0.879 10 5 FCBERO Cc1csc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 ZINC001724784960 1288449971 /nfs/dbraw/zinc/44/99/71/1288449971.db2.gz GIBRSCOULICBBH-GHMZBOCLSA-N 1 0 367.431 0.684 10 5 FCBERO Cc1nc(C)c(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001724974546 1288457670 /nfs/dbraw/zinc/45/76/70/1288457670.db2.gz BNGZHDVBJZFXES-CHWSQXEVSA-N 1 0 368.459 0.868 10 5 FCBERO CN(CCC[NH2+]Cc1cn(-c2ccccc2)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733098477 1288602499 /nfs/dbraw/zinc/60/24/99/1288602499.db2.gz CCQAWSMAUULTFG-HZPDHXFCSA-N 1 0 358.402 0.871 10 5 FCBERO CC[N@@H+](CC(=O)N1CCCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733918449 1288636843 /nfs/dbraw/zinc/63/68/43/1288636843.db2.gz OHRNRDSFDLCSGQ-HZPDHXFCSA-N 1 0 366.462 0.835 10 5 FCBERO O=C(C[NH2+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001700097209 1289583620 /nfs/dbraw/zinc/58/36/20/1289583620.db2.gz CRFBQSQXOZTQII-KLHDSHLOSA-N 1 0 366.462 0.929 10 5 FCBERO O=C(NCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001700097595 1289584363 /nfs/dbraw/zinc/58/43/63/1289584363.db2.gz IZZRCDPEYNLNTC-NMFUWQPSSA-N 1 0 352.435 0.442 10 5 FCBERO C[N@H+](CCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001738048431 1289623771 /nfs/dbraw/zinc/62/37/71/1289623771.db2.gz IZPHRUXRBGMGQB-HZPDHXFCSA-N 1 0 366.462 0.881 10 5 FCBERO CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001701154484 1289633409 /nfs/dbraw/zinc/63/34/09/1289633409.db2.gz RAVFWBBQZPHROG-HUUCEWRRSA-N 1 0 368.478 0.984 10 5 FCBERO CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001739225910 1289821592 /nfs/dbraw/zinc/82/15/92/1289821592.db2.gz KFXUXDVADYIHOP-LXTVHRRPSA-N 1 0 352.435 0.585 10 5 FCBERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001618273189 1289894978 /nfs/dbraw/zinc/89/49/78/1289894978.db2.gz IBYRERNRUNJVIF-ZYHUDNBSSA-N 1 0 370.431 0.797 10 5 FCBERO C[NH+](C)CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001621639958 1290047645 /nfs/dbraw/zinc/04/76/45/1290047645.db2.gz XUHNWVCJVLHLKI-CYBMUJFWSA-N 1 0 363.480 0.789 10 5 FCBERO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001625505587 1290345650 /nfs/dbraw/zinc/34/56/50/1290345650.db2.gz PBDPXNLCKWXRKG-ZDUSSCGKSA-N 1 0 360.374 0.362 10 5 FCBERO CC(C)(C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC001626697341 1290410515 /nfs/dbraw/zinc/41/05/15/1290410515.db2.gz KZDXXHGGYKTMEM-CYBMUJFWSA-N 1 0 351.407 0.896 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC001627289586 1290451940 /nfs/dbraw/zinc/45/19/40/1290451940.db2.gz JNEGXFQKCNOTEY-LBPRGKRZSA-N 1 0 360.370 0.791 10 5 FCBERO C[N@@H+]1CC[C@@H](CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001631566742 1290738808 /nfs/dbraw/zinc/73/88/08/1290738808.db2.gz ZPCKWYCYOPISFG-LBPRGKRZSA-N 1 0 370.431 0.331 10 5 FCBERO COC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001643279015 1290871020 /nfs/dbraw/zinc/87/10/20/1290871020.db2.gz MWVIENPQZMEGJQ-STQMWFEESA-N 1 0 350.375 0.812 10 5 FCBERO CS(=O)(=O)c1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001652687524 1291291307 /nfs/dbraw/zinc/29/13/07/1291291307.db2.gz ZEIILKAFJUMJDJ-NSHDSACASA-N 1 0 369.399 0.201 10 5 FCBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001654477860 1291412739 /nfs/dbraw/zinc/41/27/39/1291412739.db2.gz LHUUGCOROYSQPH-FDOKIQAASA-N 1 0 360.370 0.906 10 5 FCBERO CNC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001654781402 1291434776 /nfs/dbraw/zinc/43/47/76/1291434776.db2.gz KMYPYARUSTXSQB-QWHCGFSZSA-N 1 0 352.391 0.728 10 5 FCBERO CNC(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001655605357 1291478485 /nfs/dbraw/zinc/47/84/85/1291478485.db2.gz YYMNONLLVOJTQN-UHFFFAOYSA-N 1 0 350.375 0.808 10 5 FCBERO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1nccs1 ZINC001666283771 1291907588 /nfs/dbraw/zinc/90/75/88/1291907588.db2.gz UGFCBDUXBTXGOT-DDHJBXDOSA-N 1 0 367.431 0.764 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3C[C@@H]3CCOC3)CC[C@H]21 ZINC001123105736 848568927 /nfs/dbraw/zinc/56/89/27/848568927.db2.gz BIZBHCBNRSXWKW-BFHYXJOUSA-N 1 0 350.423 0.622 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@@H](CO)C1 ZINC001175183579 850755244 /nfs/dbraw/zinc/75/52/44/850755244.db2.gz KCRFNIRQVDVBRS-CYBMUJFWSA-N 1 0 352.391 0.540 10 5 FCBERO CCOC(=O)C1([S@@](C)=O)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001194426095 852596150 /nfs/dbraw/zinc/59/61/50/852596150.db2.gz IXFRZXUUDWLEBI-XMMPIXPASA-N 1 0 358.420 0.568 10 5 FCBERO O=C(NCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001267943308 859520259 /nfs/dbraw/zinc/52/02/59/859520259.db2.gz IPHZOFDEHGLCPS-HUUCEWRRSA-N 1 0 352.435 0.396 10 5 FCBERO Cc1nnc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)s1 ZINC001273084355 860368336 /nfs/dbraw/zinc/36/83/36/860368336.db2.gz KYHNLXAEURZTTF-NXEZZACHSA-N 1 0 368.419 0.079 10 5 FCBERO CCOCCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001281782492 863738798 /nfs/dbraw/zinc/73/87/98/863738798.db2.gz LHFZWVHZUYYVCJ-HUUCEWRRSA-N 1 0 355.435 0.772 10 5 FCBERO CC(C)N(CCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001288166836 864777466 /nfs/dbraw/zinc/77/74/66/864777466.db2.gz FJCFEFNOADWMAK-HUUCEWRRSA-N 1 0 354.451 0.689 10 5 FCBERO CC(C)[N@H+](C)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001288711520 864801034 /nfs/dbraw/zinc/80/10/34/864801034.db2.gz SSHLANBFNQGFOJ-HUUCEWRRSA-N 1 0 352.435 0.657 10 5 FCBERO O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001290043144 865320703 /nfs/dbraw/zinc/32/07/03/865320703.db2.gz DEICRABPAHFPJR-LXTVHRRPSA-N 1 0 352.435 0.539 10 5 FCBERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001295418073 865895884 /nfs/dbraw/zinc/89/58/84/865895884.db2.gz NCJRBTCICCAZSF-AWEZNQCLSA-N 1 0 359.404 0.041 10 5 FCBERO CC[N@H+](C)C(C)(C)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001357037035 868071100 /nfs/dbraw/zinc/07/11/00/868071100.db2.gz UKRACRQAVHZCQF-CHWSQXEVSA-N 1 0 354.451 0.927 10 5 FCBERO CCCCNC(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001324864142 869697677 /nfs/dbraw/zinc/69/76/77/869697677.db2.gz GUEYKHRGMHKYKO-ZIAGYGMSSA-N 1 0 354.451 0.786 10 5 FCBERO O=C(NCCN1CCC([NH2+]CCc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001325794237 870036256 /nfs/dbraw/zinc/03/62/56/870036256.db2.gz KGQNSIBMRANKMJ-HUUCEWRRSA-N 1 0 367.475 0.521 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001326862114 870538766 /nfs/dbraw/zinc/53/87/66/870538766.db2.gz RNCLWACPKOQODY-TZMCWYRMSA-N 1 0 350.375 0.033 10 5 FCBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001327594167 870963251 /nfs/dbraw/zinc/96/32/51/870963251.db2.gz YZETXABPFDUJEJ-CHWSQXEVSA-N 1 0 352.366 0.493 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC001328798172 871630680 /nfs/dbraw/zinc/63/06/80/871630680.db2.gz CIVIGFNDLHQADO-LOWVWBTDSA-N 1 0 373.435 0.235 10 5 FCBERO [NH3+]C1(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCOCC1 ZINC001348307077 872661838 /nfs/dbraw/zinc/66/18/38/872661838.db2.gz OPJPIXZOWPHZFS-UHFFFAOYSA-N 1 0 352.395 0.646 10 5 FCBERO C[N@@H+]1CC[C@@H]2OCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000284999282 213264024 /nfs/dbraw/zinc/26/40/24/213264024.db2.gz YMXUVASUTYVNQU-SJORKVTESA-N 1 0 360.414 0.889 10 5 FCBERO CN1CCO[C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000284711992 213203714 /nfs/dbraw/zinc/20/37/14/213203714.db2.gz JCKXRCYAINRAFJ-IRXDYDNUSA-N 1 0 360.414 0.889 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366810021 216036146 /nfs/dbraw/zinc/03/61/46/216036146.db2.gz PTNALKLLMXNKHV-HUUCEWRRSA-N 1 0 362.386 0.821 10 5 FCBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020903 245745422 /nfs/dbraw/zinc/74/54/22/245745422.db2.gz OLENCSYOXDVHOL-FZMZJTMJSA-N 1 0 370.431 0.666 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000419327144 246100882 /nfs/dbraw/zinc/10/08/82/246100882.db2.gz CTTRFIASPWZSBZ-UONOGXRCSA-N 1 0 362.430 0.871 10 5 FCBERO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1CCO ZINC000419327143 246101056 /nfs/dbraw/zinc/10/10/56/246101056.db2.gz CTTRFIASPWZSBZ-KGLIPLIRSA-N 1 0 362.430 0.871 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423583562 247061578 /nfs/dbraw/zinc/06/15/78/247061578.db2.gz KNXAWBDYIRQEDW-HOCLYGCPSA-N 1 0 360.414 0.806 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)n1 ZINC000427507781 247529910 /nfs/dbraw/zinc/52/99/10/247529910.db2.gz WBLUGJPUMJGGOV-UHFFFAOYSA-N 1 0 367.406 0.816 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444453790 248359705 /nfs/dbraw/zinc/35/97/05/248359705.db2.gz KIHMFJUGAAMGLL-UHFFFAOYSA-N 1 0 360.374 0.782 10 5 FCBERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000453827411 249376038 /nfs/dbraw/zinc/37/60/38/249376038.db2.gz XNCVQBYWADARQB-AWEZNQCLSA-N 1 0 350.375 0.496 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000107356755 208238787 /nfs/dbraw/zinc/23/87/87/208238787.db2.gz WVUJHYORJQSCLU-ZDUSSCGKSA-N 1 0 363.418 0.938 10 5 FCBERO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119810380 208367426 /nfs/dbraw/zinc/36/74/26/208367426.db2.gz ZODOLWHNSRNLNA-HNNXBMFYSA-N 1 0 359.386 0.327 10 5 FCBERO O=c1c([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCOC3)CC2)nc2ccccn21 ZINC000301519805 488881093 /nfs/dbraw/zinc/88/10/93/488881093.db2.gz CXSISASSOWPEQR-CYBMUJFWSA-N 1 0 359.386 0.761 10 5 FCBERO CNS(=O)(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131403 488159024 /nfs/dbraw/zinc/15/90/24/488159024.db2.gz CGZUBHSRPWGZRT-LBPRGKRZSA-N 1 0 372.447 0.762 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)n1 ZINC000191813257 488421135 /nfs/dbraw/zinc/42/11/35/488421135.db2.gz OEAMYGHSFOBPOO-ZDUSSCGKSA-N 1 0 352.439 0.813 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000191854970 488421240 /nfs/dbraw/zinc/42/12/40/488421240.db2.gz OGYLWTOOJLUFLG-GFCCVEGCSA-N 1 0 364.406 0.190 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000191854958 488421420 /nfs/dbraw/zinc/42/14/20/488421420.db2.gz OGYLWTOOJLUFLG-LBPRGKRZSA-N 1 0 364.406 0.190 10 5 FCBERO Cn1cc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000569891136 491201507 /nfs/dbraw/zinc/20/15/07/491201507.db2.gz RQLPISDLPMPQHZ-CABCVRRESA-N 1 0 364.406 0.379 10 5 FCBERO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000247644832 488489188 /nfs/dbraw/zinc/48/91/88/488489188.db2.gz UFWSVMGCRSOVGV-CVEARBPZSA-N 1 0 359.386 0.715 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248375732 488495024 /nfs/dbraw/zinc/49/50/24/488495024.db2.gz XUQWMQUFPUMCJW-QLFBSQMISA-N 1 0 353.419 0.721 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248375730 488495471 /nfs/dbraw/zinc/49/54/71/488495471.db2.gz XUQWMQUFPUMCJW-KKUMJFAQSA-N 1 0 353.419 0.721 10 5 FCBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)CN3CCOCC3)C2)nc1 ZINC000122268846 488576778 /nfs/dbraw/zinc/57/67/78/488576778.db2.gz GWWJKMRMOXSRKH-UKRRQHHQSA-N 1 0 351.407 0.169 10 5 FCBERO COc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000263210863 488606678 /nfs/dbraw/zinc/60/66/78/488606678.db2.gz KGTUZEMFKUNZGA-ZYHUDNBSSA-N 1 0 361.345 0.917 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000274012616 488679161 /nfs/dbraw/zinc/67/91/61/488679161.db2.gz VARWKWSWKNAOTR-UHFFFAOYSA-N 1 0 369.399 0.922 10 5 FCBERO CC[N@@H+]1CC[C@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000264532835 488682813 /nfs/dbraw/zinc/68/28/13/488682813.db2.gz LIHONLUMZKIGEJ-LLVKDONJSA-N 1 0 360.370 0.649 10 5 FCBERO CC[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000266919217 488743749 /nfs/dbraw/zinc/74/37/49/488743749.db2.gz HUCPCMHSABHISD-LBPRGKRZSA-N 1 0 364.402 0.791 10 5 FCBERO COCC[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000267101134 488761074 /nfs/dbraw/zinc/76/10/74/488761074.db2.gz OLVFQMHOOFOUNB-UHFFFAOYSA-N 1 0 364.402 0.505 10 5 FCBERO COCC[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000182234403 488864313 /nfs/dbraw/zinc/86/43/13/488864313.db2.gz IPKJOXRTHIIGIH-GJZGRUSLSA-N 1 0 353.419 0.987 10 5 FCBERO O=c1nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000288801906 489017395 /nfs/dbraw/zinc/01/73/95/489017395.db2.gz CZCWIEBSPQTHJN-VXGBXAGGSA-N 1 0 363.374 0.626 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[N@H+](CCO)CC1 ZINC000369606127 489256880 /nfs/dbraw/zinc/25/68/80/489256880.db2.gz WFSUHTPJIGHIRD-UHFFFAOYSA-N 1 0 368.346 0.794 10 5 FCBERO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000451672463 489516547 /nfs/dbraw/zinc/51/65/47/489516547.db2.gz SPVBEHNUAVYZQC-MRXNPFEDSA-N 1 0 371.459 0.904 10 5 FCBERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000372290089 489567078 /nfs/dbraw/zinc/56/70/78/489567078.db2.gz VBGNPVJWDZLVIZ-YUTCNCBUSA-N 1 0 356.379 0.195 10 5 FCBERO C[C@@H]1CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000426488522 489570146 /nfs/dbraw/zinc/57/01/46/489570146.db2.gz VPSXRHJCEXSGFR-CYBMUJFWSA-N 1 0 364.402 0.891 10 5 FCBERO Cc1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416477054 489598830 /nfs/dbraw/zinc/59/88/30/489598830.db2.gz ZYVKJPXOEAQKRZ-UHFFFAOYSA-N 1 0 356.448 0.737 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCN(CC)CC2)n1 ZINC000427851842 489623657 /nfs/dbraw/zinc/62/36/57/489623657.db2.gz DKZZDTPREBRVBX-UHFFFAOYSA-N 1 0 352.439 0.959 10 5 FCBERO CCN1C(=O)N=NC1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000372688926 489624450 /nfs/dbraw/zinc/62/44/50/489624450.db2.gz BIPDYLSIUMJLCJ-UHFFFAOYSA-N 1 0 362.390 0.953 10 5 FCBERO CC[NH+]1CCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000457131855 489637573 /nfs/dbraw/zinc/63/75/73/489637573.db2.gz ZBDRFZGYCOLJFL-UHFFFAOYSA-N 1 0 362.434 0.276 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459653260 489746123 /nfs/dbraw/zinc/74/61/23/489746123.db2.gz XPMDKLHWNFVSBI-MRXNPFEDSA-N 1 0 353.375 0.751 10 5 FCBERO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1C1CC[NH+](C)CC1 ZINC000408078921 490241811 /nfs/dbraw/zinc/24/18/11/490241811.db2.gz KYCJFBBZVMBAHS-LBPRGKRZSA-N 1 0 350.423 0.569 10 5 FCBERO Cc1n[nH]c(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000408080948 490242852 /nfs/dbraw/zinc/24/28/52/490242852.db2.gz TTZXVFKTHVIGKV-NSHDSACASA-N 1 0 350.423 0.867 10 5 FCBERO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000521434857 490261809 /nfs/dbraw/zinc/26/18/09/490261809.db2.gz CFFUSKUKYKYYTE-SNVBAGLBSA-N 1 0 357.388 0.611 10 5 FCBERO Cc1ncc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000523976310 490506299 /nfs/dbraw/zinc/50/62/99/490506299.db2.gz BADILEKVZLEKPL-UHFFFAOYSA-N 1 0 351.388 0.761 10 5 FCBERO CC[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000511531958 490601520 /nfs/dbraw/zinc/60/15/20/490601520.db2.gz KPHNDHXSXUYCEV-ZDUSSCGKSA-N 1 0 364.402 0.934 10 5 FCBERO CN(CCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000538315703 490725511 /nfs/dbraw/zinc/72/55/11/490725511.db2.gz LFRWJFFMETWKSX-UHFFFAOYSA-N 1 0 372.447 0.673 10 5 FCBERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000514085862 490762040 /nfs/dbraw/zinc/76/20/40/490762040.db2.gz ZMHQVFNLJJUJMW-STQMWFEESA-N 1 0 369.447 0.758 10 5 FCBERO CC[N@@H+]1CC[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000517443801 490909344 /nfs/dbraw/zinc/90/93/44/490909344.db2.gz FGDRIKBCIDYPRY-GFCCVEGCSA-N 1 0 362.386 0.778 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000517577491 490913059 /nfs/dbraw/zinc/91/30/59/490913059.db2.gz WWPPCVFZXCNENE-UHFFFAOYSA-N 1 0 363.418 0.971 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000543553271 490936603 /nfs/dbraw/zinc/93/66/03/490936603.db2.gz KIJLFGMBZITGPM-CQSZACIVSA-N 1 0 362.386 0.909 10 5 FCBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)n1 ZINC000574254944 491484028 /nfs/dbraw/zinc/48/40/28/491484028.db2.gz ZCRAXSNAENLLKR-CABCVRRESA-N 1 0 354.407 0.985 10 5 FCBERO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000574869391 491524633 /nfs/dbraw/zinc/52/46/33/491524633.db2.gz VIHKIHBZUSSTNP-SNVBAGLBSA-N 1 0 357.310 0.386 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576464850 491617134 /nfs/dbraw/zinc/61/71/34/491617134.db2.gz SDIUKVUOBPBCSB-ZWNOBZJWSA-N 1 0 369.399 0.754 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCCN1CCO ZINC000578132294 491670555 /nfs/dbraw/zinc/67/05/55/491670555.db2.gz WZPWJPATJXWFQQ-LSDHHAIUSA-N 1 0 353.419 0.771 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587987682 491736570 /nfs/dbraw/zinc/73/65/70/491736570.db2.gz DENMQFCWCIDJIT-LBPRGKRZSA-N 1 0 363.418 0.678 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588000153 491736863 /nfs/dbraw/zinc/73/68/63/491736863.db2.gz QYLHFLGCGQXABA-UHFFFAOYSA-N 1 0 351.407 0.270 10 5 FCBERO Nc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588013672 491737305 /nfs/dbraw/zinc/73/73/05/491737305.db2.gz MCIWWAVNRIOFAM-UHFFFAOYSA-N 1 0 366.418 0.333 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000590442281 491776728 /nfs/dbraw/zinc/77/67/28/491776728.db2.gz FGBZVYVTFVYJQS-AAEUAGOBSA-N 1 0 364.427 0.948 10 5 FCBERO COc1c(F)cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595122623 491885657 /nfs/dbraw/zinc/88/56/57/491885657.db2.gz PIXJYQXVUSVZSZ-PSASIEDQSA-N 1 0 351.331 0.802 10 5 FCBERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595109763 491884294 /nfs/dbraw/zinc/88/42/94/491884294.db2.gz NLXGVVWJCXAPBA-HIFRSBDPSA-N 1 0 370.431 0.897 10 5 FCBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595113933 491884678 /nfs/dbraw/zinc/88/46/78/491884678.db2.gz PNDZREQHHGUWDO-OUCADQQQSA-N 1 0 370.431 0.897 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC[C@H]1F ZINC000595260910 491908154 /nfs/dbraw/zinc/90/81/54/491908154.db2.gz NCCKDCJQBBPXGG-GMTAPVOTSA-N 1 0 354.338 0.690 10 5 FCBERO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595279288 491912050 /nfs/dbraw/zinc/91/20/50/491912050.db2.gz YXCLSNCKAAIVQB-UHFFFAOYSA-N 1 0 373.413 0.112 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)s1 ZINC000595383208 491926318 /nfs/dbraw/zinc/92/63/18/491926318.db2.gz AWJNUVPZMJKBRU-LLVKDONJSA-N 1 0 361.445 0.876 10 5 FCBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000595912259 491961115 /nfs/dbraw/zinc/96/11/15/491961115.db2.gz YABZITGHNGAFIL-AWEZNQCLSA-N 1 0 374.449 0.804 10 5 FCBERO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000596065880 491974175 /nfs/dbraw/zinc/97/41/75/491974175.db2.gz XVXNFFZXADFPBS-GFCCVEGCSA-N 1 0 358.416 0.891 10 5 FCBERO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000596105068 491975591 /nfs/dbraw/zinc/97/55/91/491975591.db2.gz MJXSMNVPCURCLC-UHFFFAOYSA-N 1 0 362.386 0.246 10 5 FCBERO NS(=O)(=O)c1cccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596540956 491989465 /nfs/dbraw/zinc/98/94/65/491989465.db2.gz XFWAKRYSZTYSNX-GFCCVEGCSA-N 1 0 370.431 0.278 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000597624676 492051968 /nfs/dbraw/zinc/05/19/68/492051968.db2.gz JNWAQIICOARZFJ-ZDUSSCGKSA-N 1 0 362.386 0.486 10 5 FCBERO CCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598038930 492081123 /nfs/dbraw/zinc/08/11/23/492081123.db2.gz HKZGHJBHISOFDM-GFCCVEGCSA-N 1 0 370.431 0.799 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598163505 492086703 /nfs/dbraw/zinc/08/67/03/492086703.db2.gz QNFSPERWRBIXRA-UHFFFAOYSA-N 1 0 354.794 0.998 10 5 FCBERO CC(C)(C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000598452302 492099330 /nfs/dbraw/zinc/09/93/30/492099330.db2.gz JBGRGMAIMNQBNE-CQSZACIVSA-N 1 0 351.407 0.584 10 5 FCBERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598535507 492103599 /nfs/dbraw/zinc/10/35/99/492103599.db2.gz DYGHTXZSFNSFBK-GFCCVEGCSA-N 1 0 352.395 0.288 10 5 FCBERO CN(CCC[NH+](C)C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598633368 492110467 /nfs/dbraw/zinc/11/04/67/492110467.db2.gz LWQQMTDIVUYTLP-UHFFFAOYSA-N 1 0 367.454 0.517 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)n1 ZINC000599109944 492136329 /nfs/dbraw/zinc/13/63/29/492136329.db2.gz YYEQQNFGHIJWBB-UHFFFAOYSA-N 1 0 353.404 0.868 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000599267274 492151560 /nfs/dbraw/zinc/15/15/60/492151560.db2.gz YBYPVQRUTPWYKE-GFCCVEGCSA-N 1 0 357.436 0.681 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000599903650 492216767 /nfs/dbraw/zinc/21/67/67/492216767.db2.gz IWJZNQPJIKBHCU-VHSXEESVSA-N 1 0 364.358 0.561 10 5 FCBERO [NH3+]CCCOCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599933776 492218542 /nfs/dbraw/zinc/21/85/42/492218542.db2.gz LGAOSBWHWMFFLH-UHFFFAOYSA-N 1 0 351.407 0.792 10 5 FCBERO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262258632 534753135 /nfs/dbraw/zinc/75/31/35/534753135.db2.gz MANZQNAHOHGRKK-SCLBCKFNSA-N 1 0 351.406 0.851 10 5 FCBERO COc1cc(CCNC(=O)COC2(C)C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000592481022 546951872 /nfs/dbraw/zinc/95/18/72/546951872.db2.gz UEYOIOWIMLZQDS-UHFFFAOYSA-N 1 0 353.375 0.649 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592877912 546960120 /nfs/dbraw/zinc/96/01/20/546960120.db2.gz AVNBMXVDBCGWPG-LLVKDONJSA-N 1 0 352.395 0.068 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593235382 546964343 /nfs/dbraw/zinc/96/43/43/546964343.db2.gz QBBBYKCRPOHFIC-UHFFFAOYSA-N 1 0 350.375 0.449 10 5 FCBERO COc1ccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc1[N+](=O)[O-] ZINC000593231996 546964647 /nfs/dbraw/zinc/96/46/47/546964647.db2.gz CRSICSKVTGFTQD-UHFFFAOYSA-N 1 0 350.375 0.449 10 5 FCBERO C[NH+](C)CCN1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1=O ZINC000593486364 546968702 /nfs/dbraw/zinc/96/87/02/546968702.db2.gz ULDFGYVHXDTOTM-UHFFFAOYSA-N 1 0 372.223 0.963 10 5 FCBERO CS(=O)(=O)c1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000594451949 546999035 /nfs/dbraw/zinc/99/90/35/546999035.db2.gz UTTSUGVVEAXIQW-SECBINFHSA-N 1 0 355.294 0.618 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594534430 547001744 /nfs/dbraw/zinc/00/17/44/547001744.db2.gz YMCZHRQESCFWMS-SECBINFHSA-N 1 0 350.253 0.548 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000420460477 547340583 /nfs/dbraw/zinc/34/05/83/547340583.db2.gz SGOHCBFMELQACW-SNVBAGLBSA-N 1 0 373.387 0.038 10 5 FCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262111236 665005871 /nfs/dbraw/zinc/00/58/71/665005871.db2.gz FJEAFXRTXMURKU-LHLIQPBNSA-N 1 0 362.155 0.807 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000913659879 666639515 /nfs/dbraw/zinc/63/95/15/666639515.db2.gz MQKSFLIUHZAWCQ-QGZVFWFLSA-N 1 0 350.419 0.412 10 5 FCBERO O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000923588725 667852877 /nfs/dbraw/zinc/85/28/77/667852877.db2.gz IHNCFVDUTZEDHM-HNNXBMFYSA-N 1 0 354.432 0.799 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000420475964 674881172 /nfs/dbraw/zinc/88/11/72/674881172.db2.gz OBKYOCMYFHIKIK-HNNXBMFYSA-N 1 0 369.399 0.898 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819288996 668994847 /nfs/dbraw/zinc/99/48/47/668994847.db2.gz BPYWXOJIMYHFJQ-NWANDNLSSA-N 1 0 357.432 0.936 10 5 FCBERO C[NH+](C)CCN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000845967559 671058787 /nfs/dbraw/zinc/05/87/87/671058787.db2.gz CZSABDDYCAHQGC-UHFFFAOYSA-N 1 0 374.394 0.128 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cccc(F)c1 ZINC001483007273 1192700039 /nfs/dbraw/zinc/70/00/39/1192700039.db2.gz IKTHLLROMORYJF-GEYXIOIISA-N 1 0 350.350 0.691 10 5 FCBERO O=C(NCc1ccc(C[NH2+]CCN2CCNC2=O)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267937223 1183164202 /nfs/dbraw/zinc/16/42/02/1183164202.db2.gz WTIYWEXICANFIA-HUUCEWRRSA-N 1 0 361.402 0.083 10 5 FCBERO COc1ncc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c(C)n1 ZINC001269545450 1187856062 /nfs/dbraw/zinc/85/60/62/1187856062.db2.gz QDISTJFQCLLZGP-ZIAGYGMSSA-N 1 0 363.418 0.977 10 5 FCBERO COC(=O)COc1ccc(CN2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475120309 1190668578 /nfs/dbraw/zinc/66/85/78/1190668578.db2.gz RBEUCJIKXNTWLU-ZDUSSCGKSA-N 1 0 367.402 0.645 10 5 FCBERO CCOC(=O)c1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000594393851 1196719281 /nfs/dbraw/zinc/71/92/81/1196719281.db2.gz RTKGXCNXTNHLTL-LSDHHAIUSA-N 1 0 363.370 0.663 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592878047 1196740100 /nfs/dbraw/zinc/74/01/00/1196740100.db2.gz CUPBPVBVHPGNDE-JTQLQIEISA-N 1 0 360.374 0.663 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593233424 1196764765 /nfs/dbraw/zinc/76/47/65/1196764765.db2.gz ONIMLGIFLPNVCD-JKSUJKDBSA-N 1 0 360.414 0.931 10 5 FCBERO COc1cc(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c([N+](=O)[O-])cc1OC ZINC000593902020 1196837463 /nfs/dbraw/zinc/83/74/63/1196837463.db2.gz MNZQQFVBLVTIEE-SJCJKPOMSA-N 1 0 365.386 0.507 10 5 FCBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000593918059 1196841010 /nfs/dbraw/zinc/84/10/10/1196841010.db2.gz ALXNRYUFYLVJTI-YUELXQCFSA-N 1 0 364.402 0.644 10 5 FCBERO CCO[C@@H](CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)C[NH+](C)C ZINC001133575024 1202989813 /nfs/dbraw/zinc/98/98/13/1202989813.db2.gz OIXLGSVVWLUPFI-ZDUSSCGKSA-N 1 0 362.390 0.872 10 5 FCBERO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000816948887 1203083570 /nfs/dbraw/zinc/08/35/70/1203083570.db2.gz JIRGHOUIIZSWMG-BXUZGUMPSA-N 1 0 363.370 0.957 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000844042429 1203331496 /nfs/dbraw/zinc/33/14/96/1203331496.db2.gz WDAMGFYYKOPGEQ-LBPRGKRZSA-N 1 0 374.401 0.523 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1=O ZINC000844764607 1204434265 /nfs/dbraw/zinc/43/42/65/1204434265.db2.gz LGBLYYCJDMUDLS-UHFFFAOYSA-N 1 0 368.365 0.345 10 5 FCBERO C[C@]12C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001196833242 1208108926 /nfs/dbraw/zinc/10/89/26/1208108926.db2.gz QKNBITWPEHAVOK-IAGOWNOFSA-N 1 0 360.370 0.908 10 5 FCBERO COc1ccc(OCC[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC001196829902 1208109112 /nfs/dbraw/zinc/10/91/12/1208109112.db2.gz HUNNUTAMPCHIFW-IAGOWNOFSA-N 1 0 363.370 0.967 10 5 FCBERO CN1C(=O)[C@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]2C1=O ZINC001197021288 1208133019 /nfs/dbraw/zinc/13/30/19/1208133019.db2.gz SZSASGMBVOJLAT-TXEJJXNPSA-N 1 0 357.326 0.691 10 5 FCBERO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001198146725 1208224003 /nfs/dbraw/zinc/22/40/03/1208224003.db2.gz GOTMNWPXJIZAQC-IUODEOHRSA-N 1 0 365.386 0.219 10 5 FCBERO O=Cc1ccc(OCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000854353846 1209623843 /nfs/dbraw/zinc/62/38/43/1209623843.db2.gz HOTUPFPQFGFCAU-AWEZNQCLSA-N 1 0 362.386 0.292 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856543138 1209715491 /nfs/dbraw/zinc/71/54/91/1209715491.db2.gz PEKJZZVHJPMCQP-IMJJTQAJSA-N 1 0 374.401 0.003 10 5 FCBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)cc1 ZINC000863577134 1209945696 /nfs/dbraw/zinc/94/56/96/1209945696.db2.gz YIEQPJCRZBONTI-ZFWWWQNUSA-N 1 0 369.385 0.934 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900800599 1218038788 /nfs/dbraw/zinc/03/87/88/1218038788.db2.gz UBIJKPRDZMWHDJ-UHFFFAOYSA-N 1 0 358.398 0.975 10 5 FCBERO O=C(N[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490889894 1219364865 /nfs/dbraw/zinc/36/48/65/1219364865.db2.gz IVHAFGBYEOVEDQ-QHSBEEBCSA-N 1 0 367.427 0.362 10 5 FCBERO O=C1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CCN1 ZINC000829352364 1222434779 /nfs/dbraw/zinc/43/47/79/1222434779.db2.gz HWMYNOCIGSRVKM-NSHDSACASA-N 1 0 360.374 0.922 10 5 FCBERO C[NH+](C)CCn1cc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC001141817827 1222779311 /nfs/dbraw/zinc/77/93/11/1222779311.db2.gz HEBBRCZSFSRHAN-UHFFFAOYSA-N 1 0 373.417 0.710 10 5 FCBERO C[NH2+]C1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000843351167 1222872190 /nfs/dbraw/zinc/87/21/90/1222872190.db2.gz HGZSXURECBHDNI-UHFFFAOYSA-N 1 0 361.446 0.927 10 5 FCBERO C[NH+]1CCC(CC(=O)NCCC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001288770098 1262033197 /nfs/dbraw/zinc/03/31/97/1262033197.db2.gz DEQOGKLZXOFHAL-HUUCEWRRSA-N 1 0 366.462 0.786 10 5 FCBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001295495988 1262766280 /nfs/dbraw/zinc/76/62/80/1262766280.db2.gz FZTXWPSCLVXWLE-UHFFFAOYSA-N 1 0 364.402 0.476 10 5 FCBERO CNc1nccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001297879465 1262899326 /nfs/dbraw/zinc/89/93/26/1262899326.db2.gz BPLIQYHTPXTAMQ-UHFFFAOYSA-N 1 0 364.406 0.363 10 5 FCBERO O=C(CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC001297880075 1262900045 /nfs/dbraw/zinc/90/00/45/1262900045.db2.gz PXVSOILOYVDALR-MRXNPFEDSA-N 1 0 364.402 0.347 10 5 FCBERO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001298070125 1262907937 /nfs/dbraw/zinc/90/79/37/1262907937.db2.gz NXAOHRHOEZVFMU-HZPDHXFCSA-N 1 0 362.430 0.944 10 5 FCBERO CCC(C)(C)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001484578791 1263479062 /nfs/dbraw/zinc/47/90/62/1263479062.db2.gz ZNVVHUBWZHWLFG-ZIAGYGMSSA-N 1 0 366.462 0.881 10 5 FCBERO CC(C)NC(=O)NCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484916416 1263491121 /nfs/dbraw/zinc/49/11/21/1263491121.db2.gz QFWVRPOCESOYHP-CHWSQXEVSA-N 1 0 355.439 0.330 10 5 FCBERO Cc1nc(C)n(CC[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001317871995 1263527346 /nfs/dbraw/zinc/52/73/46/1263527346.db2.gz JVQKOELINAXXOC-HZPDHXFCSA-N 1 0 364.450 0.731 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC001318950076 1263631058 /nfs/dbraw/zinc/63/10/58/1263631058.db2.gz ULYUMOJCUNAFOD-UHFFFAOYSA-N 1 0 374.401 0.459 10 5 FCBERO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001494040334 1263747753 /nfs/dbraw/zinc/74/77/53/1263747753.db2.gz FEKNJRFVQGFWAB-KBUPBQIOSA-N 1 0 352.435 0.681 10 5 FCBERO CN(CCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496565616 1263882547 /nfs/dbraw/zinc/88/25/47/1263882547.db2.gz LVHQXIKBNIHPOQ-HZPDHXFCSA-N 1 0 362.430 0.644 10 5 FCBERO CCN(CCNC(=O)c1ccc2c[nH+]cn2c1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496818281 1263899854 /nfs/dbraw/zinc/89/98/54/1263899854.db2.gz FSLHZNVIOWEOIV-HUUCEWRRSA-N 1 0 359.386 0.886 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC001497582352 1263940703 /nfs/dbraw/zinc/94/07/03/1263940703.db2.gz CWOJSYVMJVOSJB-WXVGIEASSA-N 1 0 368.340 0.831 10 5 FCBERO C[N@H+](CCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001498624815 1263980635 /nfs/dbraw/zinc/98/06/35/1263980635.db2.gz GKBOJNIQRMBGTH-HZPDHXFCSA-N 1 0 366.462 0.881 10 5 FCBERO C[NH+](C)CC1(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCCC1 ZINC001498627836 1263980872 /nfs/dbraw/zinc/98/08/72/1263980872.db2.gz XNKJNAIZPCXMPA-HUUCEWRRSA-N 1 0 366.462 0.738 10 5 FCBERO O=C(NCC1([NH2+]CCOCC(F)(F)F)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001500571198 1264075590 /nfs/dbraw/zinc/07/55/90/1264075590.db2.gz WWMGYLAQKPVVCE-GHMZBOCLSA-N 1 0 369.340 0.486 10 5 FCBERO COc1nscc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001502623686 1264178256 /nfs/dbraw/zinc/17/82/56/1264178256.db2.gz MHJBVKMQJTZOLQ-VXGBXAGGSA-N 1 0 370.431 0.572 10 5 FCBERO COc1cc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccn1 ZINC001502869525 1264183126 /nfs/dbraw/zinc/18/31/26/1264183126.db2.gz TVJHPVLYCVILST-ZIAGYGMSSA-N 1 0 364.402 0.199 10 5 FCBERO CCN(C(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001506957088 1264347848 /nfs/dbraw/zinc/34/78/48/1264347848.db2.gz CQLJUEPDFDLCKL-HUUCEWRRSA-N 1 0 352.435 0.585 10 5 FCBERO O=C(NCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)C12CC[NH+](CC1)C2 ZINC001524014522 1266675484 /nfs/dbraw/zinc/67/54/84/1266675484.db2.gz PNXQGVQQQFUMGF-ZIAGYGMSSA-N 1 0 350.419 0.245 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]2(COC)C[NH+](C)C)n1 ZINC001533307776 1267214142 /nfs/dbraw/zinc/21/41/42/1267214142.db2.gz FULMRKBBJWYBDS-HNNXBMFYSA-N 1 0 355.395 0.230 10 5 FCBERO CC(C)(C(=O)NC/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001533490620 1267219555 /nfs/dbraw/zinc/21/95/55/1267219555.db2.gz BIICYKCSMPRCGY-UUSXEQNQSA-N 1 0 352.435 0.705 10 5 FCBERO CC(C)[NH+]1CCC(C(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001533490930 1267220524 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OQVYMCHHPYABFW-UHFFFAOYSA-N 1 0 364.402 0.516 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC[N@H+](C)CCO ZINC001557695462 1268966331 /nfs/dbraw/zinc/96/63/31/1268966331.db2.gz UHDIBOQKYRRUDP-LBPRGKRZSA-N 1 0 356.427 0.210 10 5 FCBERO C[NH+](C)CCn1cc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC001557939365 1268994068 /nfs/dbraw/zinc/99/40/68/1268994068.db2.gz WIHWQLCBTJBMMX-KRWDZBQOSA-N 1 0 361.402 0.990 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001558051775 1269014338 /nfs/dbraw/zinc/01/43/38/1269014338.db2.gz ZFKOKZUWGXENGZ-KGLIPLIRSA-N 1 0 364.402 0.251 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC001560203683 1269196581 /nfs/dbraw/zinc/19/65/81/1269196581.db2.gz IXYLKIAVGPANOQ-GDBMZVCRSA-N 1 0 354.407 0.670 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC001342389712 1269455243 /nfs/dbraw/zinc/45/52/43/1269455243.db2.gz LHEHWSMWNKDLKI-UHFFFAOYSA-N 1 0 364.450 0.818 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC001565864348 1269498309 /nfs/dbraw/zinc/49/83/09/1269498309.db2.gz POPHCFKZUIPCCE-KLHDSHLOSA-N 1 0 366.462 0.833 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)NCc1ccco1 ZINC001570104166 1269838393 /nfs/dbraw/zinc/83/83/93/1269838393.db2.gz WWSVMNKKLUTBFJ-CHWSQXEVSA-N 1 0 350.375 0.190 10 5 FCBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1(C)C ZINC001570615682 1269904573 /nfs/dbraw/zinc/90/45/73/1269904573.db2.gz FJKBUQVJEDDXTH-CHWSQXEVSA-N 1 0 370.431 0.701 10 5 FCBERO CN(CC1CC1)C(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001714132695 1287313117 /nfs/dbraw/zinc/31/31/17/1287313117.db2.gz AVOPARDCCHENPL-ZIAGYGMSSA-N 1 0 352.435 0.539 10 5 FCBERO CCCNC(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001714363278 1287320036 /nfs/dbraw/zinc/32/00/36/1287320036.db2.gz VHJLSLFGBOADFY-ZIAGYGMSSA-N 1 0 352.435 0.492 10 5 FCBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2c(c1)nnn2C ZINC001714653260 1287329957 /nfs/dbraw/zinc/32/99/57/1287329957.db2.gz JOQXMHIQYCFGOV-CZUORRHYSA-N 1 0 360.418 0.962 10 5 FCBERO Cc1nc(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC001717015590 1287402151 /nfs/dbraw/zinc/40/21/51/1287402151.db2.gz LBWBDWSHGWKZOW-HUUCEWRRSA-N 1 0 365.434 0.627 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001631900151 1282132846 /nfs/dbraw/zinc/13/28/46/1282132846.db2.gz OODFMSUMFFOIOP-ZDUSSCGKSA-N 1 0 364.406 0.040 10 5 FCBERO C[NH+](C)C1(CC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCCC1 ZINC001584954553 1282185391 /nfs/dbraw/zinc/18/53/91/1282185391.db2.gz WZTOGHKVCXRWOY-CHWSQXEVSA-N 1 0 352.435 0.681 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001588016524 1282396825 /nfs/dbraw/zinc/39/68/25/1282396825.db2.gz IXJUBXMPPWPYET-HUUCEWRRSA-N 1 0 364.402 0.251 10 5 FCBERO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC001636711950 1282531485 /nfs/dbraw/zinc/53/14/85/1282531485.db2.gz ZBVPKNGLDNDFSY-CQSZACIVSA-N 1 0 363.418 0.516 10 5 FCBERO CC(C)(C(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC001718876593 1287592723 /nfs/dbraw/zinc/59/27/23/1287592723.db2.gz RWYCGJINSYUGCK-HUUCEWRRSA-N 1 0 364.446 0.801 10 5 FCBERO CS(=O)(=O)c1cc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc([N+](=O)[O-])c1 ZINC001597700891 1286357647 /nfs/dbraw/zinc/35/76/47/1286357647.db2.gz LQHMZBJGDVKEBX-NSHDSACASA-N 1 0 369.399 0.201 10 5 FCBERO O=C(NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C12CC[NH+](CC1)C2 ZINC001721553582 1288351078 /nfs/dbraw/zinc/35/10/78/1288351078.db2.gz LVFIFJOLYADSHM-HUUCEWRRSA-N 1 0 364.446 0.492 10 5 FCBERO CCN(CC[NH2+]CC(=O)Nc1c(C)nn(C)c1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732775063 1288593914 /nfs/dbraw/zinc/59/39/14/1288593914.db2.gz NNHXDJFOPVEEJK-CHWSQXEVSA-N 1 0 366.422 0.079 10 5 FCBERO O=C(NCCCNC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001736928124 1289496516 /nfs/dbraw/zinc/49/65/16/1289496516.db2.gz AHOBPPKNFUCOAB-HUUCEWRRSA-N 1 0 352.435 0.396 10 5 FCBERO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001628390451 1290530906 /nfs/dbraw/zinc/53/09/06/1290530906.db2.gz RRYMWIJGSFCMMF-DOMZBBRYSA-N 1 0 364.402 0.537 10 5 FCBERO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccccc1C[NH+](C)C ZINC001743455797 1290567941 /nfs/dbraw/zinc/56/79/41/1290567941.db2.gz CHJPMUVPDSHPNN-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO COC(=O)c1ccnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001643279014 1290871240 /nfs/dbraw/zinc/87/12/40/1290871240.db2.gz MWVIENPQZMEGJQ-QWHCGFSZSA-N 1 0 350.375 0.812 10 5 FCBERO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC001643510661 1290901095 /nfs/dbraw/zinc/90/10/95/1290901095.db2.gz NFOCOFMQOZJAME-JTQLQIEISA-N 1 0 356.404 0.375 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001643779414 1290914549 /nfs/dbraw/zinc/91/45/49/1290914549.db2.gz WPWXTBOYIDDBBW-CQSZACIVSA-N 1 0 351.407 0.859 10 5 FCBERO C[N@@H+]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC001647970759 1291090447 /nfs/dbraw/zinc/09/04/47/1291090447.db2.gz ITMHCFVCLAEFFN-CYBMUJFWSA-N 1 0 350.375 0.501 10 5 FCBERO C[NH+]1CCC2(CCN2C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001647973565 1291090757 /nfs/dbraw/zinc/09/07/57/1291090757.db2.gz HOKIOZXXGDJQQV-UHFFFAOYSA-N 1 0 368.415 0.553 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001648176165 1291108064 /nfs/dbraw/zinc/10/80/64/1291108064.db2.gz JURCFCFWHCWWMM-UHFFFAOYSA-N 1 0 364.450 0.906 10 5 FCBERO COC1(OC)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC001654637918 1291422897 /nfs/dbraw/zinc/42/28/97/1291422897.db2.gz ONGXGLQVUMFOIH-AWEZNQCLSA-N 1 0 353.375 0.979 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC001659506885 1291640419 /nfs/dbraw/zinc/64/04/19/1291640419.db2.gz LQTGEKOUWKZYST-MEDUHNTESA-N 1 0 353.375 0.750 10 5 FCBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1nnn(C(C)(C)C)n1 ZINC001660128595 1291653384 /nfs/dbraw/zinc/65/33/84/1291653384.db2.gz KJXBPMBWBNLRTG-VXGBXAGGSA-N 1 0 353.427 0.074 10 5 FCBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCN(C(=O)C(C)(C)C)CC1 ZINC001663180894 1291748164 /nfs/dbraw/zinc/74/81/64/1291748164.db2.gz RHHAHKWQFABJOK-HUUCEWRRSA-N 1 0 368.478 0.984 10 5 FCBERO COc1ncc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001673434835 1292108086 /nfs/dbraw/zinc/10/80/86/1292108086.db2.gz WGQSKGJHOZYLCX-ZIAGYGMSSA-N 1 0 351.407 0.739 10 5 FCBERO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC001118866031 847610820 /nfs/dbraw/zinc/61/08/20/847610820.db2.gz VUIJHKLBVPPHIT-VXGBXAGGSA-N 1 0 350.375 0.347 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001134086125 849173286 /nfs/dbraw/zinc/17/32/86/849173286.db2.gz YWYXHOTYWZFZPJ-AWEZNQCLSA-N 1 0 351.407 0.859 10 5 FCBERO CC(C)C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC001136648745 849232033 /nfs/dbraw/zinc/23/20/33/849232033.db2.gz XUBOOHVGVAVRJG-GFCCVEGCSA-N 1 0 372.447 0.948 10 5 FCBERO C[N@H+](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]1CCC[C@H]1O ZINC001139905318 849351757 /nfs/dbraw/zinc/35/17/57/849351757.db2.gz XLMYBKHBAXOLLE-ZIAGYGMSSA-N 1 0 351.407 0.800 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001141197026 849385866 /nfs/dbraw/zinc/38/58/66/849385866.db2.gz QRLRIKIDQWGLJR-PWSUYJOCSA-N 1 0 354.388 0.018 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC001170847507 850667809 /nfs/dbraw/zinc/66/78/09/850667809.db2.gz SBLAQHCPKODDRF-CYBMUJFWSA-N 1 0 371.463 0.894 10 5 FCBERO COC(=O)C1([C@@]2(O)CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CCC1 ZINC001176485928 850790527 /nfs/dbraw/zinc/79/05/27/850790527.db2.gz PZQHSRUXBLCTLL-MRXNPFEDSA-N 1 0 352.391 0.962 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001262259703 858840045 /nfs/dbraw/zinc/84/00/45/858840045.db2.gz RRVOFBYTMFGOEV-UHFFFAOYSA-N 1 0 351.407 0.671 10 5 FCBERO C[NH+](C)CC1(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCCC1 ZINC001284901293 864600468 /nfs/dbraw/zinc/60/04/68/864600468.db2.gz ZJMLJNINWLISBR-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO CN(CC(C)(C)CNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001285502262 864634581 /nfs/dbraw/zinc/63/45/81/864634581.db2.gz NAOIAJCMIOFZIV-CHWSQXEVSA-N 1 0 352.435 0.348 10 5 FCBERO CC(C)[N@H+](C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001292978111 865767494 /nfs/dbraw/zinc/76/74/94/865767494.db2.gz PCVHAVYVEGZCIM-UHFFFAOYSA-N 1 0 358.420 0.330 10 5 FCBERO C[NH+](C)CCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1F ZINC001299189070 866156415 /nfs/dbraw/zinc/15/64/15/866156415.db2.gz LIPRLDJAKQBMLZ-UHFFFAOYSA-N 1 0 352.326 0.905 10 5 FCBERO C[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC001299487175 866179279 /nfs/dbraw/zinc/17/92/79/866179279.db2.gz OISOQXDBWJOZLK-LLVKDONJSA-N 1 0 358.420 0.282 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NC1CCCC1 ZINC001319352432 867895251 /nfs/dbraw/zinc/89/52/51/867895251.db2.gz UXJISDHLTZKYHF-ZIAGYGMSSA-N 1 0 352.435 0.729 10 5 FCBERO CS(=O)(=O)c1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001321058523 868354790 /nfs/dbraw/zinc/35/47/90/868354790.db2.gz YIPHJGVBXTXDPI-SWVJOTTGSA-N 1 0 367.427 0.517 10 5 FCBERO COc1ccc(CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC001329437857 872029115 /nfs/dbraw/zinc/02/91/15/872029115.db2.gz OAWKVNOZLIWFRZ-JQWIXIFHSA-N 1 0 350.375 0.476 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329614902 872135641 /nfs/dbraw/zinc/13/56/41/872135641.db2.gz ZJZWYFQCKBQFEY-UHFFFAOYSA-N 1 0 350.375 0.131 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001331146854 872982129 /nfs/dbraw/zinc/98/21/29/872982129.db2.gz KPCDDCDQSRKSHM-AWEZNQCLSA-N 1 0 351.407 0.547 10 5 FCBERO C[C@@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])[C@H](C)CO ZINC000265858641 210235988 /nfs/dbraw/zinc/23/59/88/210235988.db2.gz RJQCYBMEFAMYDL-VXGBXAGGSA-N 1 0 374.463 0.864 10 5 FCBERO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285194735 213301335 /nfs/dbraw/zinc/30/13/35/213301335.db2.gz VNVMYHQZKZOQKX-LSDHHAIUSA-N 1 0 355.416 0.830 10 5 FCBERO CN1CCO[C@@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000284711989 213203579 /nfs/dbraw/zinc/20/35/79/213203579.db2.gz JCKXRCYAINRAFJ-IAGOWNOFSA-N 1 0 360.414 0.889 10 5 FCBERO C[C@@H]1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)[C@@H](C[NH3+])C1 ZINC000261926443 209497619 /nfs/dbraw/zinc/49/76/19/209497619.db2.gz ZLSNEBOOAKMILF-DGCLKSJQSA-N 1 0 362.386 0.906 10 5 FCBERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246273080 209383162 /nfs/dbraw/zinc/38/31/62/209383162.db2.gz MOVBOLOXBMCUJU-IAGOWNOFSA-N 1 0 362.430 0.867 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193562042 209314526 /nfs/dbraw/zinc/31/45/26/209314526.db2.gz LUBSMWIPGAEVCU-AWEZNQCLSA-N 1 0 363.418 0.938 10 5 FCBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1 ZINC000415278616 245376557 /nfs/dbraw/zinc/37/65/57/245376557.db2.gz HWTDQUCGNUMPKZ-UHFFFAOYSA-N 1 0 357.164 0.728 10 5 FCBERO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000183682334 209152052 /nfs/dbraw/zinc/15/20/52/209152052.db2.gz HYQOJOQWNLSZQI-INIZCTEOSA-N 1 0 371.459 0.904 10 5 FCBERO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000181974960 209126093 /nfs/dbraw/zinc/12/60/93/209126093.db2.gz HETKUMLNXTWKSH-VYDXJSESSA-N 1 0 365.430 0.987 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000416393918 245572320 /nfs/dbraw/zinc/57/23/20/245572320.db2.gz WCKDUQLWWIWVDN-NSHDSACASA-N 1 0 371.415 0.954 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419345878 246108878 /nfs/dbraw/zinc/10/88/78/246108878.db2.gz UMODTCOGRKIQNB-OLZOCXBDSA-N 1 0 366.418 0.929 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420325033 246543951 /nfs/dbraw/zinc/54/39/51/246543951.db2.gz VYPYGXNGMDEVTK-CQSZACIVSA-N 1 0 368.459 0.901 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423583560 247061610 /nfs/dbraw/zinc/06/16/10/247061610.db2.gz KNXAWBDYIRQEDW-GDBMZVCRSA-N 1 0 360.414 0.806 10 5 FCBERO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000452393122 249316628 /nfs/dbraw/zinc/31/66/28/249316628.db2.gz RYRWIHZWKCZGDC-OAHLLOKOSA-N 1 0 374.401 0.752 10 5 FCBERO COC(=O)c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc([N+](=O)[O-])c1 ZINC000452396737 249315637 /nfs/dbraw/zinc/31/56/37/249315637.db2.gz YKRQWLYINATKAQ-CQSZACIVSA-N 1 0 365.386 0.958 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000270860608 211285456 /nfs/dbraw/zinc/28/54/56/211285456.db2.gz ZUESPYOYUGBLMQ-CYBMUJFWSA-N 1 0 350.423 0.570 10 5 FCBERO COC(=O)c1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000269637590 211028622 /nfs/dbraw/zinc/02/86/22/211028622.db2.gz XGKMUTSLKASYTK-OAHLLOKOSA-N 1 0 365.386 0.958 10 5 FCBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269596815 211019275 /nfs/dbraw/zinc/01/92/75/211019275.db2.gz NZWPJYNFECOYEH-LBPRGKRZSA-N 1 0 365.386 0.943 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000308568182 488895229 /nfs/dbraw/zinc/89/52/29/488895229.db2.gz AWGNUSGWAUNIQQ-UHFFFAOYSA-N 1 0 359.404 1.000 10 5 FCBERO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000185350076 488400987 /nfs/dbraw/zinc/40/09/87/488400987.db2.gz MVPUMYCETCIYDY-LLVKDONJSA-N 1 0 362.477 0.961 10 5 FCBERO CNC(=O)c1ccc(N2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000268426477 488417940 /nfs/dbraw/zinc/41/79/40/488417940.db2.gz YXPZWEURBPZIGH-UHFFFAOYSA-N 1 0 363.418 0.555 10 5 FCBERO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000261642024 488529023 /nfs/dbraw/zinc/52/90/23/488529023.db2.gz ILRKFUQMOYALBR-UHFFFAOYSA-N 1 0 370.431 0.264 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000273365873 488646871 /nfs/dbraw/zinc/64/68/71/488646871.db2.gz GBHXBNBMXCXVDI-UHFFFAOYSA-N 1 0 364.402 0.685 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000563121473 491217992 /nfs/dbraw/zinc/21/79/92/491217992.db2.gz AWVOXGALDQXEQQ-HNNXBMFYSA-N 1 0 369.399 0.756 10 5 FCBERO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000158972057 488781644 /nfs/dbraw/zinc/78/16/44/488781644.db2.gz DYAYHVBYPKESNL-HNNXBMFYSA-N 1 0 357.432 0.861 10 5 FCBERO CC[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCOC ZINC000161480508 488797198 /nfs/dbraw/zinc/79/71/98/488797198.db2.gz MJFOQUXBMJUDQI-CYBMUJFWSA-N 1 0 354.411 0.544 10 5 FCBERO Cc1ccc(N2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000172841171 488838570 /nfs/dbraw/zinc/83/85/70/488838570.db2.gz PJQPNOKBXVBLGK-HNNXBMFYSA-N 1 0 361.406 0.463 10 5 FCBERO CC[NH+]1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000298516151 489333950 /nfs/dbraw/zinc/33/39/50/489333950.db2.gz SJWLLTJUNSGRIK-UHFFFAOYSA-N 1 0 372.447 0.519 10 5 FCBERO O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1cccnc1 ZINC000563617824 491258835 /nfs/dbraw/zinc/25/88/35/491258835.db2.gz HLSKTNONQYEIPY-HUUCEWRRSA-N 1 0 360.374 0.332 10 5 FCBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000415898299 489564249 /nfs/dbraw/zinc/56/42/49/489564249.db2.gz TTWFMGUSQSXDRG-UHFFFAOYSA-N 1 0 364.358 0.133 10 5 FCBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000416304656 489581309 /nfs/dbraw/zinc/58/13/09/489581309.db2.gz ZLYWGTIGJKFCGO-STQMWFEESA-N 1 0 364.402 0.238 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000427453209 489608845 /nfs/dbraw/zinc/60/88/45/489608845.db2.gz OBQSTRZZRZTKAR-LBPRGKRZSA-N 1 0 366.422 0.484 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000427455605 489609444 /nfs/dbraw/zinc/60/94/44/489609444.db2.gz CXACSCWOBGAERL-NSHDSACASA-N 1 0 352.395 0.128 10 5 FCBERO COC(=O)COc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000474347381 489755861 /nfs/dbraw/zinc/75/58/61/489755861.db2.gz FNPYVAATTHYNOM-LBPRGKRZSA-N 1 0 351.359 0.857 10 5 FCBERO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000418995363 489813490 /nfs/dbraw/zinc/81/34/90/489813490.db2.gz IUDZWUFTRGHCAN-WGRBQBNCSA-N 1 0 372.447 0.760 10 5 FCBERO Cc1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000563976336 491281159 /nfs/dbraw/zinc/28/11/59/491281159.db2.gz UDJNCNBPZCNOLY-UHFFFAOYSA-N 1 0 370.431 0.264 10 5 FCBERO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000521434856 490261318 /nfs/dbraw/zinc/26/13/18/490261318.db2.gz CFFUSKUKYKYYTE-JTQLQIEISA-N 1 0 357.388 0.611 10 5 FCBERO C[C@@H]1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC(=O)N1Cc1ccccc1 ZINC000571551505 491315309 /nfs/dbraw/zinc/31/53/09/491315309.db2.gz AZHYNPFVABWJIH-KBRIMQKVSA-N 1 0 373.413 0.931 10 5 FCBERO COc1ccc(CC(=O)N2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000523703212 490488124 /nfs/dbraw/zinc/48/81/24/490488124.db2.gz XGBLTUSZAWOJMH-UHFFFAOYSA-N 1 0 350.419 0.852 10 5 FCBERO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000502958104 490732504 /nfs/dbraw/zinc/73/25/04/490732504.db2.gz VLTLGWDMZFOHDR-BZNIZROVSA-N 1 0 368.390 0.221 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCNc1cc[nH+]cc1 ZINC000488532851 490763937 /nfs/dbraw/zinc/76/39/37/490763937.db2.gz OGIDJYXLCUYMTK-ZDUSSCGKSA-N 1 0 361.406 0.872 10 5 FCBERO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000572168708 491353662 /nfs/dbraw/zinc/35/36/62/491353662.db2.gz IXSJTGMUWYNCJN-UHFFFAOYSA-N 1 0 373.431 0.993 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000541113793 490850865 /nfs/dbraw/zinc/85/08/65/490850865.db2.gz OYAMQMMZWDLYJZ-UHFFFAOYSA-N 1 0 350.375 0.592 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000516186668 490855695 /nfs/dbraw/zinc/85/56/95/490855695.db2.gz TVAWPRQMKGJUOH-CYBMUJFWSA-N 1 0 353.375 0.369 10 5 FCBERO COC(=O)c1cc(C)nc(NCCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000557491339 491377443 /nfs/dbraw/zinc/37/74/43/491377443.db2.gz CRDBPZQPPYODNX-UHFFFAOYSA-N 1 0 365.434 1.524 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000565479454 491379481 /nfs/dbraw/zinc/37/94/81/491379481.db2.gz AMUUHQYLNBTANG-UHFFFAOYSA-N 1 0 364.450 0.822 10 5 FCBERO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000566850554 491470825 /nfs/dbraw/zinc/47/08/25/491470825.db2.gz HNOALRKLXWPAPI-SNVBAGLBSA-N 1 0 357.310 0.386 10 5 FCBERO Cn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(=O)n(C)c1=O ZINC000574795907 491520577 /nfs/dbraw/zinc/52/05/77/491520577.db2.gz USQYFWYSIKTDMA-UHFFFAOYSA-N 1 0 357.370 0.806 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590338040 491773834 /nfs/dbraw/zinc/77/38/34/491773834.db2.gz RAWSJFWZPAEZSQ-KRWDZBQOSA-N 1 0 365.386 0.895 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590338041 491773871 /nfs/dbraw/zinc/77/38/71/491773871.db2.gz RAWSJFWZPAEZSQ-QGZVFWFLSA-N 1 0 365.386 0.895 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000590445009 491777063 /nfs/dbraw/zinc/77/70/63/491777063.db2.gz PJUVNJYQMAZZQY-RISCZKNCSA-N 1 0 360.370 0.483 10 5 FCBERO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590565000 491779457 /nfs/dbraw/zinc/77/94/57/491779457.db2.gz IJUUUKQOZGPDOK-KGLIPLIRSA-N 1 0 350.375 0.078 10 5 FCBERO COC(=O)c1cnc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000591983833 491826639 /nfs/dbraw/zinc/82/66/39/491826639.db2.gz BDMMYFYCRLCHHP-SNVBAGLBSA-N 1 0 351.363 0.333 10 5 FCBERO C[NH+]1CCC2(CC1)CN(c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)CCO2 ZINC000591993693 491827150 /nfs/dbraw/zinc/82/71/50/491827150.db2.gz MKYXUMSEONJTJK-UHFFFAOYSA-N 1 0 370.431 0.543 10 5 FCBERO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595275882 491910503 /nfs/dbraw/zinc/91/05/03/491910503.db2.gz DOHHUIZRXKWUFS-UHFFFAOYSA-N 1 0 366.805 0.775 10 5 FCBERO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595385265 491926960 /nfs/dbraw/zinc/92/69/60/491926960.db2.gz XYOKCRSKZLHVML-AWEZNQCLSA-N 1 0 355.416 0.815 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862814 491957461 /nfs/dbraw/zinc/95/74/61/491957461.db2.gz HCUSEIRCTITRJU-HOTGVXAUSA-N 1 0 365.430 0.866 10 5 FCBERO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596507366 491988440 /nfs/dbraw/zinc/98/84/40/491988440.db2.gz XELRTZQUVNHHHW-AWEZNQCLSA-N 1 0 352.395 0.032 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 ZINC000596565250 491991140 /nfs/dbraw/zinc/99/11/40/491991140.db2.gz CVAPUSZHKITTII-GFCCVEGCSA-N 1 0 372.447 0.789 10 5 FCBERO COc1cc(OCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000597575240 492048632 /nfs/dbraw/zinc/04/86/32/492048632.db2.gz VPSRDSOCARVBBR-QGZVFWFLSA-N 1 0 367.402 0.897 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000615279007 492084707 /nfs/dbraw/zinc/08/47/07/492084707.db2.gz IOWOZGSEBAFGRU-UHFFFAOYSA-N 1 0 365.434 0.660 10 5 FCBERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598535578 492103799 /nfs/dbraw/zinc/10/37/99/492103799.db2.gz GYOIYJBQXUGLQC-AWEZNQCLSA-N 1 0 351.407 0.893 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000599103991 492135694 /nfs/dbraw/zinc/13/56/94/492135694.db2.gz YYPMZOUEVMVECH-DGCLKSJQSA-N 1 0 373.435 0.235 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000599108660 492135862 /nfs/dbraw/zinc/13/58/62/492135862.db2.gz PGGKNZLJJHHEQY-NWDGAFQWSA-N 1 0 357.436 0.729 10 5 FCBERO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000599218885 492144493 /nfs/dbraw/zinc/14/44/93/492144493.db2.gz FJNWUTQSRRVFPR-UHFFFAOYSA-N 1 0 371.419 0.982 10 5 FCBERO CNS(=O)(=O)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599691682 492200201 /nfs/dbraw/zinc/20/02/01/492200201.db2.gz QSMCZGIMRCRQJI-LBPRGKRZSA-N 1 0 358.420 0.018 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599893989 492214934 /nfs/dbraw/zinc/21/49/34/492214934.db2.gz LPJMCHYBXPSXDJ-UHFFFAOYSA-N 1 0 358.782 0.881 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599919798 492217416 /nfs/dbraw/zinc/21/74/16/492217416.db2.gz WWQNFBNAQXDCTD-UHFFFAOYSA-N 1 0 350.379 0.849 10 5 FCBERO [NH3+]CCCOCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599933755 492218459 /nfs/dbraw/zinc/21/84/59/492218459.db2.gz LDTXKKYOMJQJBC-UHFFFAOYSA-N 1 0 352.395 0.187 10 5 FCBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609813153 492223348 /nfs/dbraw/zinc/22/33/48/492223348.db2.gz YUWUABBCKIVMSC-CQSZACIVSA-N 1 0 350.375 0.760 10 5 FCBERO CCOCC[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1CC ZINC000174782715 528751442 /nfs/dbraw/zinc/75/14/42/528751442.db2.gz DGQRHSXBAIOUBD-ZBFHGGJFSA-N 1 0 355.439 0.585 10 5 FCBERO COc1ccc(NC(=O)CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419345553 536771484 /nfs/dbraw/zinc/77/14/84/536771484.db2.gz UAMWIOBVGCTYBW-STQMWFEESA-N 1 0 366.418 0.929 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000591328849 546934308 /nfs/dbraw/zinc/93/43/08/546934308.db2.gz XNJSCCZCAVEZLT-IINYFYTJSA-N 1 0 369.399 0.706 10 5 FCBERO COc1cccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592870387 546958454 /nfs/dbraw/zinc/95/84/54/546958454.db2.gz CEJFXDFEVRKVIK-NSHDSACASA-N 1 0 350.375 0.795 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1=O ZINC000593232723 546964416 /nfs/dbraw/zinc/96/44/16/546964416.db2.gz CGDUOTLDTODBGB-UHFFFAOYSA-N 1 0 352.366 0.509 10 5 FCBERO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000593621850 546984455 /nfs/dbraw/zinc/98/44/55/546984455.db2.gz MCMDMCKKOPZMOU-UHFFFAOYSA-N 1 0 362.433 0.051 10 5 FCBERO CC(C)C[N@H+](C)CCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000593754105 546990876 /nfs/dbraw/zinc/99/08/76/546990876.db2.gz ISPSXEWXRCRBBO-UHFFFAOYSA-N 1 0 372.447 0.950 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000594405254 546999218 /nfs/dbraw/zinc/99/92/18/546999218.db2.gz VPQMSAPKGIYUBN-JGZJWPJOSA-N 1 0 356.404 0.312 10 5 FCBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)C3(O)CCOCC3)CC2)cc1 ZINC000929154713 665816690 /nfs/dbraw/zinc/81/66/90/665816690.db2.gz QWGMTVMZSZIVGX-INIZCTEOSA-N 1 0 351.403 0.619 10 5 FCBERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262595644 665184386 /nfs/dbraw/zinc/18/43/86/665184386.db2.gz UOEONTLRWDFHDI-SMDDNHRTSA-N 1 0 370.431 0.507 10 5 FCBERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262710849 665200599 /nfs/dbraw/zinc/20/05/99/665200599.db2.gz QJVSIMYJQLKFMW-ZWNOBZJWSA-N 1 0 358.420 0.363 10 5 FCBERO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847579240 671208656 /nfs/dbraw/zinc/20/86/56/671208656.db2.gz GPYIBYSADIKYGY-WDEREUQCSA-N 1 0 368.777 0.464 10 5 FCBERO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254267 671681502 /nfs/dbraw/zinc/68/15/02/671681502.db2.gz UDLDIBAFBBOUNT-NSHDSACASA-N 1 0 352.366 0.987 10 5 FCBERO CN(CC(=O)NC1CC([NH+](C)C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000857230952 671721276 /nfs/dbraw/zinc/72/12/76/671721276.db2.gz PQTVMNMQCHZORY-UHFFFAOYSA-N 1 0 370.431 0.424 10 5 FCBERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000860195086 671874925 /nfs/dbraw/zinc/87/49/25/671874925.db2.gz NKNHYOAZHPWHHA-DOMZBBRYSA-N 1 0 357.432 0.889 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cccc(F)c1 ZINC001483007274 1192700155 /nfs/dbraw/zinc/70/01/55/1192700155.db2.gz IKTHLLROMORYJF-KOMGFDSOSA-N 1 0 350.350 0.691 10 5 FCBERO CN(CCC[NH2+]Cc1nncn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268790417 1187779951 /nfs/dbraw/zinc/77/99/51/1187779951.db2.gz FJLXTQLKFXODJK-HUUCEWRRSA-N 1 0 358.402 0.871 10 5 FCBERO Cc1nn(C)cc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001271911289 1190758119 /nfs/dbraw/zinc/75/81/19/1190758119.db2.gz DCWNRFCBQAHJGR-HZPDHXFCSA-N 1 0 364.450 0.064 10 5 FCBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052976 1196605881 /nfs/dbraw/zinc/60/58/81/1196605881.db2.gz VLRYTUWSEOXSFI-UHFFFAOYSA-N 1 0 363.418 0.548 10 5 FCBERO C[NH+](C)CCN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000593053282 1196606183 /nfs/dbraw/zinc/60/61/83/1196606183.db2.gz YSNXYHDSEDWYAC-CQSZACIVSA-N 1 0 366.418 0.040 10 5 FCBERO CCO[C@@H]1CN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C[NH3+] ZINC000593916443 1196839432 /nfs/dbraw/zinc/83/94/32/1196839432.db2.gz KEHAPTDFDYJXLY-UKRRQHHQSA-N 1 0 364.402 0.455 10 5 FCBERO O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)NC12CC[NH+](CC1)C2 ZINC000913635142 1197094222 /nfs/dbraw/zinc/09/42/22/1197094222.db2.gz RSFGIOALUSXFRP-UHFFFAOYSA-N 1 0 366.324 0.998 10 5 FCBERO COC(=O)c1cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1 ZINC001136874624 1203293664 /nfs/dbraw/zinc/29/36/64/1203293664.db2.gz RPGKYTWWOYWVBB-XHDPSFHLSA-N 1 0 364.402 0.746 10 5 FCBERO C[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001136874588 1203293982 /nfs/dbraw/zinc/29/39/82/1203293982.db2.gz QWOAUUNMKDSTEY-OCCSQVGLSA-N 1 0 373.417 0.540 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000844038449 1203331375 /nfs/dbraw/zinc/33/13/75/1203331375.db2.gz ZHFGLTXNTAPIAL-LLVKDONJSA-N 1 0 368.365 0.691 10 5 FCBERO Cc1nn(CN2CCN(CC[NH+](C)C)C(=O)C2)c2cc([N+](=O)[O-])ccc12 ZINC000844714499 1204429962 /nfs/dbraw/zinc/42/99/62/1204429962.db2.gz ONTHCFWWQLRMPZ-UHFFFAOYSA-N 1 0 360.418 0.916 10 5 FCBERO O=C(NCCC[NH+]1CCC(O)CC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001147831300 1204811392 /nfs/dbraw/zinc/81/13/92/1204811392.db2.gz MEMOHKFALRTREJ-UHFFFAOYSA-N 1 0 374.401 0.752 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773528980 1206308256 /nfs/dbraw/zinc/30/82/56/1206308256.db2.gz HTPRUNLFVCIJCC-GUYCJALGSA-N 1 0 373.413 0.594 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001196833007 1208109056 /nfs/dbraw/zinc/10/90/56/1208109056.db2.gz PEHFDBWWLMYFQL-CALCHBBNSA-N 1 0 360.370 0.826 10 5 FCBERO O=C(C[NH2+][C@@H](CO)C1CCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852320508 1209543601 /nfs/dbraw/zinc/54/36/01/1209543601.db2.gz LLONOCUHZSRCLQ-KRWDZBQOSA-N 1 0 362.430 0.994 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000857649569 1209756863 /nfs/dbraw/zinc/75/68/63/1209756863.db2.gz XARQZFFZHCXISQ-UHFFFAOYSA-N 1 0 366.330 0.908 10 5 FCBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000863574820 1209945783 /nfs/dbraw/zinc/94/57/83/1209945783.db2.gz GRAADJMHMBSUTC-DZGCQCFKSA-N 1 0 369.385 0.934 10 5 FCBERO CCc1nc(C)c(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)o1 ZINC001273969797 1209959527 /nfs/dbraw/zinc/95/95/27/1209959527.db2.gz YRABCKYSOSUWAA-CHWSQXEVSA-N 1 0 366.418 0.966 10 5 FCBERO C[NH+]1CCC(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000930102067 1211687169 /nfs/dbraw/zinc/68/71/69/1211687169.db2.gz ZMGOFUAKQXXIKF-UHFFFAOYSA-N 1 0 363.418 0.749 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC001116616302 1221374669 /nfs/dbraw/zinc/37/46/69/1221374669.db2.gz FFGLAQCMINXJAG-GASCZTMLSA-N 1 0 364.450 0.775 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001330579532 1266064121 /nfs/dbraw/zinc/06/41/21/1266064121.db2.gz VCXOWHPGNIQVMS-CVEARBPZSA-N 1 0 360.414 0.949 10 5 FCBERO CN(C)c1cc(F)c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001521789022 1266178306 /nfs/dbraw/zinc/17/83/06/1266178306.db2.gz VARUSSRBVWSOGK-INIZCTEOSA-N 1 0 354.382 0.939 10 5 FCBERO CN(C)c1cc(F)c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001521789023 1266178437 /nfs/dbraw/zinc/17/84/37/1266178437.db2.gz VARUSSRBVWSOGK-MRXNPFEDSA-N 1 0 354.382 0.939 10 5 FCBERO C[N@@H+]1C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001472025537 1261426398 /nfs/dbraw/zinc/42/63/98/1261426398.db2.gz DSPOSKKEZKGOGL-AWEZNQCLSA-N 1 0 362.386 0.777 10 5 FCBERO O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472079781 1261431748 /nfs/dbraw/zinc/43/17/48/1261431748.db2.gz BEWHAXAENQXJPD-NSHDSACASA-N 1 0 367.427 0.882 10 5 FCBERO C[NH+]1CCN(c2ccc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)nc2)CC1 ZINC001472490074 1261470666 /nfs/dbraw/zinc/47/06/66/1261470666.db2.gz AJUVIUBKRXWRHH-UHFFFAOYSA-N 1 0 357.374 0.971 10 5 FCBERO O=C(NCCC[NH+]1CCN(Cc2cncc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479919569 1263416247 /nfs/dbraw/zinc/41/62/47/1263416247.db2.gz IUGUTNJCLXCRQH-HZPDHXFCSA-N 1 0 365.409 0.510 10 5 FCBERO O=C(NCC1([NH2+]CCn2cc(Cl)cn2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484182379 1263457654 /nfs/dbraw/zinc/45/76/54/1263457654.db2.gz SZLCVUDOVGZRFB-CHWSQXEVSA-N 1 0 371.825 0.457 10 5 FCBERO Cc1nocc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484419415 1263470265 /nfs/dbraw/zinc/47/02/65/1263470265.db2.gz RNYAJNWJTSFFTD-HUUCEWRRSA-N 1 0 351.407 0.318 10 5 FCBERO O=C(N[C@H]1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484567415 1263478627 /nfs/dbraw/zinc/47/86/27/1263478627.db2.gz JMKVDGCLOWQZFL-AAVRWANBSA-N 1 0 366.418 0.065 10 5 FCBERO CC(C)(C)n1nnc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001485683594 1263511508 /nfs/dbraw/zinc/51/15/08/1263511508.db2.gz WOPGWJRBQDFIKV-FDYHWXHSSA-N 1 0 365.438 0.120 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CCCN2CCCC2=O)CC1 ZINC001318887208 1263622516 /nfs/dbraw/zinc/62/25/16/1263622516.db2.gz YIZGAXJXCACTGY-HZPDHXFCSA-N 1 0 366.462 0.882 10 5 FCBERO CCN(CC[NH2+]Cc1ccc2oc(=O)n(C)c2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320734141 1263852522 /nfs/dbraw/zinc/85/25/22/1263852522.db2.gz DIWVMOSMZZLGRM-CHWSQXEVSA-N 1 0 362.386 0.735 10 5 FCBERO CCCNC(=O)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001496500823 1263880801 /nfs/dbraw/zinc/88/08/01/1263880801.db2.gz FXRADJRAFCDZAO-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO O=C(NC/C=C\C[NH2+]Cc1cnnn1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321057790 1263901106 /nfs/dbraw/zinc/90/11/06/1263901106.db2.gz SLOZDBDZXATKIF-KSLSASGISA-N 1 0 356.386 0.695 10 5 FCBERO COc1cccc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001502869387 1264183692 /nfs/dbraw/zinc/18/36/92/1264183692.db2.gz NOINNDOYQDSSAT-ZIAGYGMSSA-N 1 0 364.402 0.199 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](CCn2cncn2)CC2CC2)CC1 ZINC001323720301 1264494719 /nfs/dbraw/zinc/49/47/19/1264494719.db2.gz MIAGQXOKHFPFHB-HZPDHXFCSA-N 1 0 362.434 0.646 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C[NH3+] ZINC001326882638 1265189921 /nfs/dbraw/zinc/18/99/21/1265189921.db2.gz GCOJSIYSNXLRIC-UKRRQHHQSA-N 1 0 362.386 0.259 10 5 FCBERO CCN(C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC001334073571 1266810996 /nfs/dbraw/zinc/81/09/96/1266810996.db2.gz XSWXBWSDXXWQIJ-AWEZNQCLSA-N 1 0 364.402 0.642 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001527675721 1266913222 /nfs/dbraw/zinc/91/32/22/1266913222.db2.gz TVVIPPVATGGNMK-IUODEOHRSA-N 1 0 371.353 0.510 10 5 FCBERO COc1cc(CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC001540521248 1267450073 /nfs/dbraw/zinc/45/00/73/1267450073.db2.gz WJBGSQYLLQVSCG-SJKOYZFVSA-N 1 0 367.402 0.726 10 5 FCBERO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001542190741 1267491121 /nfs/dbraw/zinc/49/11/21/1267491121.db2.gz WEIABKXUFXPBNY-UHFFFAOYSA-N 1 0 370.431 0.799 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001543060893 1267521723 /nfs/dbraw/zinc/52/17/23/1267521723.db2.gz WKZMYJKGVNGNRQ-UHFFFAOYSA-N 1 0 366.422 0.112 10 5 FCBERO O=C(CCc1ncc[nH]1)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001340362900 1268523052 /nfs/dbraw/zinc/52/30/52/1268523052.db2.gz ALWZRVIKCIPKAE-ZIAGYGMSSA-N 1 0 361.402 0.673 10 5 FCBERO CC[N@@H+]1CC[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001557064598 1268924334 /nfs/dbraw/zinc/92/43/34/1268924334.db2.gz CMTKORBXXBHSJM-AWEZNQCLSA-N 1 0 370.431 0.426 10 5 FCBERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198654 1269055152 /nfs/dbraw/zinc/05/51/52/1269055152.db2.gz WJGTVZWVKADCIW-LSDHHAIUSA-N 1 0 357.374 0.879 10 5 FCBERO COC(=O)[C@]1(O)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001560098939 1269186069 /nfs/dbraw/zinc/18/60/69/1269186069.db2.gz WUYDJWJBZGUUQO-INIZCTEOSA-N 1 0 367.358 0.542 10 5 FCBERO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001560140450 1269192135 /nfs/dbraw/zinc/19/21/35/1269192135.db2.gz UFXLHVMWMHENKS-UHFFFAOYSA-N 1 0 350.419 0.990 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1(C)C ZINC001570615683 1269904972 /nfs/dbraw/zinc/90/49/72/1269904972.db2.gz FJKBUQVJEDDXTH-OLZOCXBDSA-N 1 0 370.431 0.701 10 5 FCBERO CN(Cc1cccs1)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591764 1287287290 /nfs/dbraw/zinc/28/72/90/1287287290.db2.gz WVKHGBGSZYKMNN-CHWSQXEVSA-N 1 0 354.432 0.420 10 5 FCBERO CN(C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1nccs1 ZINC001713948684 1287307744 /nfs/dbraw/zinc/30/77/44/1287307744.db2.gz VYXDUFKHMGLSEX-GWOFURMSSA-N 1 0 353.404 0.008 10 5 FCBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC001716883825 1287391947 /nfs/dbraw/zinc/39/19/47/1287391947.db2.gz JVQGQIWNXLNHMG-HUUCEWRRSA-N 1 0 366.462 0.786 10 5 FCBERO C[N@H+](CC(=O)NCC1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717700453 1287431790 /nfs/dbraw/zinc/43/17/90/1287431790.db2.gz UWCVUERCWAKJRT-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO C[NH+](C)CCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001718235230 1287485468 /nfs/dbraw/zinc/48/54/68/1287485468.db2.gz OQSSBXRKBGIOST-ZIAGYGMSSA-N 1 0 354.451 0.929 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC2(C1)OCCO2 ZINC001585225724 1282215027 /nfs/dbraw/zinc/21/50/27/1282215027.db2.gz YMOZBXIHTVRZQB-UHFFFAOYSA-N 1 0 351.359 0.782 10 5 FCBERO O=C(N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001636312366 1282484159 /nfs/dbraw/zinc/48/41/59/1282484159.db2.gz DSXQFTRSPXMTBC-OLZOCXBDSA-N 1 0 350.375 0.803 10 5 FCBERO Cc1c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001636962332 1282547661 /nfs/dbraw/zinc/54/76/61/1282547661.db2.gz PDOYVFHEDQLIJO-LLVKDONJSA-N 1 0 352.347 0.998 10 5 FCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001637276971 1282583117 /nfs/dbraw/zinc/58/31/17/1282583117.db2.gz ZKPNWPBMMIXMRX-UHFFFAOYSA-N 1 0 351.407 0.631 10 5 FCBERO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC001638122073 1282662202 /nfs/dbraw/zinc/66/22/02/1282662202.db2.gz DTLAZKHFYISGPN-CYBMUJFWSA-N 1 0 365.390 0.289 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001638190003 1282667453 /nfs/dbraw/zinc/66/74/53/1282667453.db2.gz WVTHNAJOIKVPDF-UHFFFAOYSA-N 1 0 359.390 0.885 10 5 FCBERO Cc1nn(C)c(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC001638864257 1282728361 /nfs/dbraw/zinc/72/83/61/1282728361.db2.gz OHWYWLVKIMKECD-UHFFFAOYSA-N 1 0 351.407 0.603 10 5 FCBERO C[N@@H+]1CC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001638901645 1282734080 /nfs/dbraw/zinc/73/40/80/1282734080.db2.gz UWVYBMGAFGRJHT-LBPRGKRZSA-N 1 0 356.404 0.084 10 5 FCBERO O=C(NCC[NH+]1CCC(O)CC1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001640860624 1282909580 /nfs/dbraw/zinc/90/95/80/1282909580.db2.gz QFIVEOXGXTULBN-UHFFFAOYSA-N 1 0 374.401 0.421 10 5 FCBERO O=C(CCCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21 ZINC001703990256 1286169150 /nfs/dbraw/zinc/16/91/50/1286169150.db2.gz MAGURDOZSTYRPZ-GAGVYUBLSA-N 1 0 364.446 0.491 10 5 FCBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccc(C[NH+](C)C)c1 ZINC001704276574 1286209933 /nfs/dbraw/zinc/20/99/33/1286209933.db2.gz XIGFJQLFACEQSD-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO C[NH+](C)CCn1nccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001595483940 1286248508 /nfs/dbraw/zinc/24/85/08/1286248508.db2.gz XHZGNRFHTJYPOK-UHFFFAOYSA-N 1 0 373.417 0.710 10 5 FCBERO C[NH+](C)CCC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001704753249 1286293716 /nfs/dbraw/zinc/29/37/16/1286293716.db2.gz HPOBWICCTAWIQQ-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001705261737 1286364166 /nfs/dbraw/zinc/36/41/66/1286364166.db2.gz VUDKVRSPQZBQQG-TZMCWYRMSA-N 1 0 370.369 0.311 10 5 FCBERO O=C(CCC[NH+]1CCCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001720875473 1288269682 /nfs/dbraw/zinc/26/96/82/1288269682.db2.gz OUYRCXXGASMNLG-GAGVYUBLSA-N 1 0 364.446 0.491 10 5 FCBERO CC[N@H+](C)CCC(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001721574985 1288352986 /nfs/dbraw/zinc/35/29/86/1288352986.db2.gz HDGCCRKVDOKVMY-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCS(C)(=O)=O)CC1 ZINC001724285933 1288435034 /nfs/dbraw/zinc/43/50/34/1288435034.db2.gz VXUGTHUDBAJSAV-CHWSQXEVSA-N 1 0 361.464 0.305 10 5 FCBERO Cc1cc(C)n(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)n1 ZINC001724355220 1288438160 /nfs/dbraw/zinc/43/81/60/1288438160.db2.gz HVGQBYYWMMYKPB-HUUCEWRRSA-N 1 0 365.434 0.420 10 5 FCBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC001731803733 1288566116 /nfs/dbraw/zinc/56/61/16/1288566116.db2.gz SVKXEXSXQYRINK-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO O=C(C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)NCC1CC1 ZINC001733290358 1288608039 /nfs/dbraw/zinc/60/80/39/1288608039.db2.gz MACHDCUCKIQPPP-HUUCEWRRSA-N 1 0 364.446 0.492 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)N1CCCCCC1 ZINC001733717089 1288626470 /nfs/dbraw/zinc/62/64/70/1288626470.db2.gz WISLWTMSVYLVMD-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO O=C(NC1(C[NH2+]Cc2cc(C3CC3)no2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733829582 1288632659 /nfs/dbraw/zinc/63/26/59/1288632659.db2.gz ZJFJSKALYWATIM-UKRRQHHQSA-N 1 0 364.402 0.972 10 5 FCBERO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CCCCC1 ZINC001734205281 1288645285 /nfs/dbraw/zinc/64/52/85/1288645285.db2.gz NDOROQODIILJMH-NMFUWQPSSA-N 1 0 352.435 0.585 10 5 FCBERO O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001737479476 1289551471 /nfs/dbraw/zinc/55/14/71/1289551471.db2.gz FEKNJRFVQGFWAB-LXTVHRRPSA-N 1 0 352.435 0.681 10 5 FCBERO C[NH+](C)CC1(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001739167593 1289818450 /nfs/dbraw/zinc/81/84/50/1289818450.db2.gz XZQZQHLEUPEZAL-ZIAGYGMSSA-N 1 0 350.419 0.268 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC001618530011 1289917811 /nfs/dbraw/zinc/91/78/11/1289917811.db2.gz UULIOGHOBHJJMZ-SMDDNHRTSA-N 1 0 353.375 0.919 10 5 FCBERO C[C@]12C[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@]1(C)C(=O)NC2=O ZINC001620488420 1289991631 /nfs/dbraw/zinc/99/16/31/1289991631.db2.gz YJCRCWJHZUKQTF-QZTJIDSGSA-N 1 0 372.381 0.469 10 5 FCBERO COc1cccc2c1CC[C@]2(CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620538243 1289997438 /nfs/dbraw/zinc/99/74/38/1289997438.db2.gz RXZLPSCEVANOAH-SUMWQHHRSA-N 1 0 362.386 0.584 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001620549297 1289999627 /nfs/dbraw/zinc/99/96/27/1289999627.db2.gz XOQHAOBTOPNCAE-CYBMUJFWSA-N 1 0 362.390 0.802 10 5 FCBERO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001625505584 1290346934 /nfs/dbraw/zinc/34/69/34/1290346934.db2.gz PBDPXNLCKWXRKG-CYBMUJFWSA-N 1 0 360.374 0.362 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001628975016 1290566203 /nfs/dbraw/zinc/56/62/03/1290566203.db2.gz KVHHDQSQTGEQFI-NSHDSACASA-N 1 0 367.381 0.668 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001644124621 1290941535 /nfs/dbraw/zinc/94/15/35/1290941535.db2.gz XMHQYZMOXIAAJA-MRXNPFEDSA-N 1 0 368.365 0.831 10 5 FCBERO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001645220033 1291009619 /nfs/dbraw/zinc/00/96/19/1291009619.db2.gz CTTJYMMPNVQDEP-PXAZEXFGSA-N 1 0 361.402 0.975 10 5 FCBERO C[N@@H+]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC001647970761 1291090718 /nfs/dbraw/zinc/09/07/18/1291090718.db2.gz ITMHCFVCLAEFFN-ZDUSSCGKSA-N 1 0 350.375 0.501 10 5 FCBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)C3(O)CCOCC3)C2)nc1 ZINC001652761314 1291296996 /nfs/dbraw/zinc/29/69/96/1291296996.db2.gz WEDDHYCEOSQTGQ-TZMCWYRMSA-N 1 0 352.391 0.378 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC001654045058 1291391019 /nfs/dbraw/zinc/39/10/19/1291391019.db2.gz YNYOFENUMTZPOB-STQMWFEESA-N 1 0 351.359 0.710 10 5 FCBERO CS(=O)(=O)c1ccc(C(=O)NCCNc2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC001654237575 1291401461 /nfs/dbraw/zinc/40/14/61/1291401461.db2.gz DLVGTXMMCKDNQG-UHFFFAOYSA-N 1 0 364.383 0.657 10 5 FCBERO COCC[N@H+](Cc1ccnn1C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001670994258 1292029034 /nfs/dbraw/zinc/02/90/34/1292029034.db2.gz UIXMFXOOSRYXAI-HZPDHXFCSA-N 1 0 365.434 0.525 10 5 FCBERO CC[NH+]1CCN(C2CN(C(=O)CCn3cc([N+](=O)[O-])nc3C)C2)CC1 ZINC001123964067 848660416 /nfs/dbraw/zinc/66/04/16/848660416.db2.gz CPFRDPPBVLCRRD-UHFFFAOYSA-N 1 0 350.423 0.338 10 5 FCBERO C[NH+](C)CC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001136473567 849223292 /nfs/dbraw/zinc/22/32/92/849223292.db2.gz RFEKCQKLCCQQJF-UHFFFAOYSA-N 1 0 370.431 0.331 10 5 FCBERO C[N@H+]1CC=C(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001137819000 849285737 /nfs/dbraw/zinc/28/57/37/849285737.db2.gz FYHDNJKJVIYSGU-UHFFFAOYSA-N 1 0 368.415 0.251 10 5 FCBERO O=C(NCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001140920955 849375738 /nfs/dbraw/zinc/37/57/38/849375738.db2.gz NJOBAJWOLUYMBF-UHFFFAOYSA-N 1 0 351.359 0.553 10 5 FCBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001164527565 850415134 /nfs/dbraw/zinc/41/51/34/850415134.db2.gz SQJOLFXQBGUEKO-UHFFFAOYSA-N 1 0 352.366 0.888 10 5 FCBERO C[C@@]1([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)COC(=O)N1 ZINC001197892539 853181545 /nfs/dbraw/zinc/18/15/45/853181545.db2.gz ZVTGFUXJWFYCGL-WBMJQRKESA-N 1 0 350.375 0.967 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC001261791608 858665229 /nfs/dbraw/zinc/66/52/29/858665229.db2.gz WJFOTQUTMBHQBX-YPMHNXCESA-N 1 0 373.435 0.235 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CCCCC1 ZINC001264391410 859351751 /nfs/dbraw/zinc/35/17/51/859351751.db2.gz SJKBCGGEAKWHMR-FAAHXZRKSA-N 1 0 352.435 0.585 10 5 FCBERO Cc1nc(C)c(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)o1 ZINC001281241958 863493581 /nfs/dbraw/zinc/49/35/81/863493581.db2.gz LMRSPNCTNXEFTE-CHWSQXEVSA-N 1 0 352.391 0.712 10 5 FCBERO CC1([NH2+]CC(=O)NCC2CCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281489729 863523361 /nfs/dbraw/zinc/52/33/61/863523361.db2.gz QEXFKCOMVVFCBV-ZIAGYGMSSA-N 1 0 352.435 0.539 10 5 FCBERO O=C(NC/C=C/CNC(=O)C12CCC[NH+](CCC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001285546714 864635311 /nfs/dbraw/zinc/63/53/11/864635311.db2.gz CFJFEGLZVQPOBZ-GEYXIOIISA-N 1 0 350.419 0.316 10 5 FCBERO C[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001293157575 865779544 /nfs/dbraw/zinc/77/95/44/865779544.db2.gz CNMWZWXVSRFWBC-NSHDSACASA-N 1 0 356.404 0.084 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001301548274 866268612 /nfs/dbraw/zinc/26/86/12/866268612.db2.gz RHSCDYPXPALMSM-UHFFFAOYSA-N 1 0 353.375 0.752 10 5 FCBERO CCC[N@H+](C)CC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001356973011 868065643 /nfs/dbraw/zinc/06/56/43/868065643.db2.gz LZFVEQYTNGZRDL-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO Cc1ncc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)s1 ZINC001327634896 870984650 /nfs/dbraw/zinc/98/46/50/870984650.db2.gz NJXOFJAGMNBLDD-CHWSQXEVSA-N 1 0 354.432 0.872 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000292624600 214112586 /nfs/dbraw/zinc/11/25/86/214112586.db2.gz MFRNWBOQRRUZDJ-SNVBAGLBSA-N 1 0 359.404 0.857 10 5 FCBERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262154817 209534606 /nfs/dbraw/zinc/53/46/06/209534606.db2.gz SLTVRFHKEVAFAQ-GXFFZTMASA-N 1 0 358.420 0.363 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246303581 209383508 /nfs/dbraw/zinc/38/35/08/209383508.db2.gz PWTVDFXTXKQEEV-IUODEOHRSA-N 1 0 361.406 0.958 10 5 FCBERO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000246318734 209383306 /nfs/dbraw/zinc/38/33/06/209383306.db2.gz CWWHFLHVQGMVPZ-UWWQBHOKSA-N 1 0 365.430 0.987 10 5 FCBERO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000187142291 209207138 /nfs/dbraw/zinc/20/71/38/209207138.db2.gz RSAXNYZQZAAWOJ-AWEZNQCLSA-N 1 0 363.418 0.938 10 5 FCBERO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000419320355 246096953 /nfs/dbraw/zinc/09/69/53/246096953.db2.gz DOSBPFIDWQSOJF-YCPHGPKFSA-N 1 0 353.419 0.721 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000420451529 246562212 /nfs/dbraw/zinc/56/22/12/246562212.db2.gz QWAATJXUAGSDJT-SNVBAGLBSA-N 1 0 357.388 0.802 10 5 FCBERO CC1CC[NH+](CC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092518695 208146211 /nfs/dbraw/zinc/14/62/11/208146211.db2.gz MXNHOQDSPUNXKY-DOTOQJQBSA-N 1 0 351.403 0.837 10 5 FCBERO Cc1c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000116790710 208333027 /nfs/dbraw/zinc/33/30/27/208333027.db2.gz QNLYOKACYXDSNP-OAHLLOKOSA-N 1 0 374.401 0.887 10 5 FCBERO C[NH+](C)C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000116785246 208333736 /nfs/dbraw/zinc/33/37/36/208333736.db2.gz FBAXUPBAKNMKPG-AWEZNQCLSA-N 1 0 360.374 0.578 10 5 FCBERO CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000180304353 209093840 /nfs/dbraw/zinc/09/38/40/209093840.db2.gz KDXRUSHTMMUVJS-LLVKDONJSA-N 1 0 361.395 0.811 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000326452763 488915333 /nfs/dbraw/zinc/91/53/33/488915333.db2.gz UDLUKGUJBITFEZ-SNVBAGLBSA-N 1 0 357.388 0.611 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000075969102 488400422 /nfs/dbraw/zinc/40/04/22/488400422.db2.gz QQIDPZHPRFWYSB-GDBMZVCRSA-N 1 0 353.423 0.339 10 5 FCBERO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000185350057 488400561 /nfs/dbraw/zinc/40/05/61/488400561.db2.gz MVPUMYCETCIYDY-NSHDSACASA-N 1 0 362.477 0.961 10 5 FCBERO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCN(CCCO)CC2)cc1 ZINC000186238079 488405222 /nfs/dbraw/zinc/40/52/22/488405222.db2.gz XPWDLHRNDGSWBD-UHFFFAOYSA-N 1 0 357.432 0.467 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000246931836 488478272 /nfs/dbraw/zinc/47/82/72/488478272.db2.gz AUHOQGRBSOOVKO-YCPHGPKFSA-N 1 0 353.419 0.721 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000247462609 488485527 /nfs/dbraw/zinc/48/55/27/488485527.db2.gz IMERQOZYECVXAX-DOTOQJQBSA-N 1 0 366.466 0.254 10 5 FCBERO O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000247645499 488489183 /nfs/dbraw/zinc/48/91/83/488489183.db2.gz UFWSVMGCRSOVGV-HZPDHXFCSA-N 1 0 359.386 0.715 10 5 FCBERO C[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262264347 488560248 /nfs/dbraw/zinc/56/02/48/488560248.db2.gz UVNODIPUHBRFQX-NSHDSACASA-N 1 0 356.404 0.023 10 5 FCBERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262294713 488562128 /nfs/dbraw/zinc/56/21/28/488562128.db2.gz OYZJHMVJWUXXHC-PRHODGIISA-N 1 0 363.292 0.846 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000131713660 488648275 /nfs/dbraw/zinc/64/82/75/488648275.db2.gz VJULWJWNEFFXBX-AWEZNQCLSA-N 1 0 353.423 0.713 10 5 FCBERO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154048920 488738013 /nfs/dbraw/zinc/73/80/13/488738013.db2.gz KVFCWIZCFPXPLL-UHFFFAOYSA-N 1 0 370.475 0.994 10 5 FCBERO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000154771229 488747083 /nfs/dbraw/zinc/74/70/83/488747083.db2.gz PSHXMZZGNJTPRI-CQSZACIVSA-N 1 0 370.475 0.898 10 5 FCBERO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159136413 488783161 /nfs/dbraw/zinc/78/31/61/488783161.db2.gz GMBWKFSVBJGZTH-KRWDZBQOSA-N 1 0 373.413 0.717 10 5 FCBERO C[NH+]1CCN(c2cc(C(=O)NCCn3cc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000164436814 488810584 /nfs/dbraw/zinc/81/05/84/488810584.db2.gz SHCHOQGQFOYOKI-UHFFFAOYSA-N 1 0 359.390 0.368 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000171560571 488823981 /nfs/dbraw/zinc/82/39/81/488823981.db2.gz NFWFCJYAPDPWDV-UHFFFAOYSA-N 1 0 363.418 0.924 10 5 FCBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000181566347 488863439 /nfs/dbraw/zinc/86/34/39/488863439.db2.gz KJSLIDNQSZESBL-NSHDSACASA-N 1 0 366.399 0.755 10 5 FCBERO C[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)cn2)CC1 ZINC000298269734 489310606 /nfs/dbraw/zinc/31/06/06/489310606.db2.gz ATKLFJBCFMXNIE-UHFFFAOYSA-N 1 0 371.401 0.848 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459643467 489743659 /nfs/dbraw/zinc/74/36/59/489743659.db2.gz IFIMJOIQUHIDAN-MRXNPFEDSA-N 1 0 353.375 0.751 10 5 FCBERO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000494902874 489919018 /nfs/dbraw/zinc/91/90/18/489919018.db2.gz KIBGWNVNDDQVKX-ZDUSSCGKSA-N 1 0 370.431 0.520 10 5 FCBERO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000408027743 490214544 /nfs/dbraw/zinc/21/45/44/490214544.db2.gz MGDRZSHVGQGAFI-LSDHHAIUSA-N 1 0 355.416 0.830 10 5 FCBERO Cc1nn(C)c(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000408105720 490251220 /nfs/dbraw/zinc/25/12/20/490251220.db2.gz IARBXYNOYWDFGW-LLVKDONJSA-N 1 0 351.407 0.962 10 5 FCBERO C[N@@H+]1CCC[C@@H]1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000498261363 490278782 /nfs/dbraw/zinc/27/87/82/490278782.db2.gz HGKWVBHWGOXVBA-CYBMUJFWSA-N 1 0 370.431 0.621 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000564571061 491314514 /nfs/dbraw/zinc/31/45/14/491314514.db2.gz JYKRUAIKKKGPGH-HNNXBMFYSA-N 1 0 371.459 0.805 10 5 FCBERO COC(=O)COc1ccc(CN2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449786712 490428069 /nfs/dbraw/zinc/42/80/69/490428069.db2.gz PRBXQIWGUCYREN-ZDUSSCGKSA-N 1 0 367.402 0.645 10 5 FCBERO CNS(=O)(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450612273 490478638 /nfs/dbraw/zinc/47/86/38/490478638.db2.gz JWOOLIQTRFTMCC-LBPRGKRZSA-N 1 0 372.447 0.762 10 5 FCBERO COC(=O)c1cc(C)nc(NC[C@@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC000450609120 490479713 /nfs/dbraw/zinc/47/97/13/490479713.db2.gz DTSVSLWMKBOINJ-LBPRGKRZSA-N 1 0 352.391 1.344 10 5 FCBERO COC(=O)[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000413899590 490507547 /nfs/dbraw/zinc/50/75/47/490507547.db2.gz JTFWYRJYQIZQAC-SNVBAGLBSA-N 1 0 371.340 0.979 10 5 FCBERO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH+]1CCC1 ZINC000500897480 490560470 /nfs/dbraw/zinc/56/04/70/490560470.db2.gz ZDNDJCXBVNTSPI-NSHDSACASA-N 1 0 370.431 0.861 10 5 FCBERO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000512267199 490669793 /nfs/dbraw/zinc/66/97/93/490669793.db2.gz WMGOZXODBZZXRM-OLZOCXBDSA-N 1 0 359.404 0.087 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596362957 491984579 /nfs/dbraw/zinc/98/45/79/491984579.db2.gz GBBKOVYFHAKRON-LBPRGKRZSA-N 1 0 373.479 0.926 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596361054 491984836 /nfs/dbraw/zinc/98/48/36/491984836.db2.gz OXZRYDRZVNMELO-LBPRGKRZSA-N 1 0 373.479 0.926 10 5 FCBERO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572944855 491403245 /nfs/dbraw/zinc/40/32/45/491403245.db2.gz KSGXHONBEPBARY-SFHVURJKSA-N 1 0 360.414 0.856 10 5 FCBERO C[C@@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000573336710 491427335 /nfs/dbraw/zinc/42/73/35/491427335.db2.gz ZEGILEAGUVLHDQ-GFCCVEGCSA-N 1 0 370.431 0.331 10 5 FCBERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560666766 491551535 /nfs/dbraw/zinc/55/15/35/491551535.db2.gz ITTJDMXPONCESS-CYBMUJFWSA-N 1 0 358.398 0.832 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000578132143 491670547 /nfs/dbraw/zinc/67/05/47/491670547.db2.gz PLHSIIRGPZECQX-OAHLLOKOSA-N 1 0 371.459 0.805 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590442900 491776756 /nfs/dbraw/zinc/77/67/56/491776756.db2.gz HZBWCXPRYVIEKN-AGIUHOORSA-N 1 0 350.423 0.990 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2C1 ZINC000590446001 491777176 /nfs/dbraw/zinc/77/71/76/491777176.db2.gz QGXMKEKBKIMCOA-MFKMUULPSA-N 1 0 358.354 0.353 10 5 FCBERO CN(CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000590539364 491778428 /nfs/dbraw/zinc/77/84/28/491778428.db2.gz SDHCNJAIRJVMPO-QGZVFWFLSA-N 1 0 350.419 0.946 10 5 FCBERO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)C1=O ZINC000583769169 491851628 /nfs/dbraw/zinc/85/16/28/491851628.db2.gz TXKKZWPQSRFLTP-OAHLLOKOSA-N 1 0 362.386 0.725 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000594919372 491872230 /nfs/dbraw/zinc/87/22/30/491872230.db2.gz YQKHUUFDJUBYKH-UHFFFAOYSA-N 1 0 365.415 0.806 10 5 FCBERO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000595118400 491885332 /nfs/dbraw/zinc/88/53/32/491885332.db2.gz PAWNAUADWFCHAI-UHFFFAOYSA-N 1 0 355.372 0.478 10 5 FCBERO CN(CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595260603 491908286 /nfs/dbraw/zinc/90/82/86/491908286.db2.gz FNNZRTHHPCJMDT-CHWSQXEVSA-N 1 0 374.394 0.113 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)s1 ZINC000595383210 491926226 /nfs/dbraw/zinc/92/62/26/491926226.db2.gz AWJNUVPZMJKBRU-NSHDSACASA-N 1 0 361.445 0.876 10 5 FCBERO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595384887 491926931 /nfs/dbraw/zinc/92/69/31/491926931.db2.gz PKWOIIWUGIOVIL-HNNXBMFYSA-N 1 0 369.443 0.956 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000595403125 491929111 /nfs/dbraw/zinc/92/91/11/491929111.db2.gz CEILUGXEIZMEAL-GFCCVEGCSA-N 1 0 358.420 0.721 10 5 FCBERO Cc1cc(=O)c(C(=O)NCC23CC(C2)C[NH2+]3)nn1-c1ccccc1[N+](=O)[O-] ZINC000595986029 491969195 /nfs/dbraw/zinc/96/91/95/491969195.db2.gz HMMXLMCLRBWSIG-UHFFFAOYSA-N 1 0 369.381 0.931 10 5 FCBERO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596540438 491989505 /nfs/dbraw/zinc/98/95/05/491989505.db2.gz SOZQNIPLAPGMJQ-GFCCVEGCSA-N 1 0 370.431 0.278 10 5 FCBERO Cc1ncc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000604474536 492062023 /nfs/dbraw/zinc/06/20/23/492062023.db2.gz VSUJLCMPJHNYDI-UHFFFAOYSA-N 1 0 351.388 0.761 10 5 FCBERO CCN(C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945606 492074158 /nfs/dbraw/zinc/07/41/58/492074158.db2.gz JOUFDGOBDRKZTI-LLVKDONJSA-N 1 0 356.404 0.408 10 5 FCBERO COCC[N@@H+]1CCC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592061 492106312 /nfs/dbraw/zinc/10/63/12/492106312.db2.gz DMLCKKROBGWFET-ZDUSSCGKSA-N 1 0 366.422 0.744 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000598991244 492129258 /nfs/dbraw/zinc/12/92/58/492129258.db2.gz XGGCSKJASIZRNO-UKRRQHHQSA-N 1 0 354.359 0.776 10 5 FCBERO COC(=O)COc1ccc(C[NH2+]C[C@H]2COCCN2C)cc1[N+](=O)[O-] ZINC000599004975 492130145 /nfs/dbraw/zinc/13/01/45/492130145.db2.gz XTXUIXRPAAKOHT-ZDUSSCGKSA-N 1 0 353.375 0.567 10 5 FCBERO C[C@H]1CC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000599106556 492136086 /nfs/dbraw/zinc/13/60/86/492136086.db2.gz VKHSXAAQJZQWTA-UWVGGRQHSA-N 1 0 357.388 0.785 10 5 FCBERO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599212296 492143055 /nfs/dbraw/zinc/14/30/55/492143055.db2.gz CJVOUSYQARCDDR-VXGBXAGGSA-N 1 0 359.452 0.975 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCN(c3ccccn3)CC2)n1 ZINC000599216108 492143580 /nfs/dbraw/zinc/14/35/80/492143580.db2.gz MEEDAJXMCPEGNK-UHFFFAOYSA-N 1 0 366.403 0.671 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000599262284 492150866 /nfs/dbraw/zinc/15/08/66/492150866.db2.gz BQFOBQRHVWKJGB-MDZLAQPJSA-N 1 0 373.435 0.201 10 5 FCBERO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599561565 492187416 /nfs/dbraw/zinc/18/74/16/492187416.db2.gz BLISDWJVDARNKV-LRDDRELGSA-N 1 0 354.359 0.598 10 5 FCBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCOCC[NH2+]C ZINC000599895409 492215030 /nfs/dbraw/zinc/21/50/30/492215030.db2.gz BYUDSVGLSJCXSD-UHFFFAOYSA-N 1 0 352.391 0.790 10 5 FCBERO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[NH2+]1 ZINC000599962749 492223439 /nfs/dbraw/zinc/22/34/39/492223439.db2.gz UOINODXUGPOXHV-NWDGAFQWSA-N 1 0 364.406 0.212 10 5 FCBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599968052 492224420 /nfs/dbraw/zinc/22/44/20/492224420.db2.gz JMLZYBATEANIQG-SWLSCSKDSA-N 1 0 361.402 0.110 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000618924327 492243591 /nfs/dbraw/zinc/24/35/91/492243591.db2.gz XOVWDRBKYBEQRH-QGZVFWFLSA-N 1 0 374.401 0.704 10 5 FCBERO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cccnc1[N+](=O)[O-])CCO2 ZINC000592103918 546944599 /nfs/dbraw/zinc/94/45/99/546944599.db2.gz NQOJSWZUSFAZSN-UHFFFAOYSA-N 1 0 356.404 0.475 10 5 FCBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183811 546945356 /nfs/dbraw/zinc/94/53/56/546945356.db2.gz FUSYSCMQCJMRGI-JQWIXIFHSA-N 1 0 365.312 0.153 10 5 FCBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183804 546945431 /nfs/dbraw/zinc/94/54/31/546945431.db2.gz FUSYSCMQCJMRGI-CMPLNLGQSA-N 1 0 365.312 0.153 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592387396 546949414 /nfs/dbraw/zinc/94/94/14/546949414.db2.gz XTKJSGNNAJITGT-JTQLQIEISA-N 1 0 357.388 0.802 10 5 FCBERO CC(C)([NH3+])CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592477886 546951561 /nfs/dbraw/zinc/95/15/61/546951561.db2.gz KYBJOIRBTAEKDS-UHFFFAOYSA-N 1 0 370.431 0.555 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000592879001 546959698 /nfs/dbraw/zinc/95/96/98/546959698.db2.gz JROBRVOGXLAGJO-LBPRGKRZSA-N 1 0 350.375 0.552 10 5 FCBERO COc1c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593234751 546964309 /nfs/dbraw/zinc/96/43/09/546964309.db2.gz HGOXMBXNBJXDES-UHFFFAOYSA-N 1 0 350.375 0.449 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593250854 546964988 /nfs/dbraw/zinc/96/49/88/546964988.db2.gz KLIQYZLQPLRCKQ-UHFFFAOYSA-N 1 0 353.354 0.972 10 5 FCBERO C[NH+](C)CCN1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1=O ZINC000593486209 546968436 /nfs/dbraw/zinc/96/84/36/546968436.db2.gz PXCAAEBQGXIJSN-UHFFFAOYSA-N 1 0 372.223 0.963 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593770666 546990745 /nfs/dbraw/zinc/99/07/45/546990745.db2.gz MPMPGJAGLGEKGS-BXUZGUMPSA-N 1 0 350.375 0.664 10 5 FCBERO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594757869 547006033 /nfs/dbraw/zinc/00/60/33/547006033.db2.gz DTEOMYOZDFERAN-UHFFFAOYSA-N 1 0 358.420 0.503 10 5 FCBERO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697350 547352447 /nfs/dbraw/zinc/35/24/47/547352447.db2.gz TZKLSEPBYAVBII-BXUZGUMPSA-N 1 0 368.415 0.907 10 5 FCBERO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[N@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000131560977 667200783 /nfs/dbraw/zinc/20/07/83/667200783.db2.gz QZOQWUPCXOETPY-UHFFFAOYSA-N 1 0 354.363 0.808 10 5 FCBERO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782512588 668566029 /nfs/dbraw/zinc/56/60/29/668566029.db2.gz IEJJDCUXULHWOW-LLVKDONJSA-N 1 0 374.394 0.815 10 5 FCBERO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844748487 670940054 /nfs/dbraw/zinc/94/00/54/670940054.db2.gz TTZKERNAJJPKGL-SEBJIWKKSA-N 1 0 351.384 0.695 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1=O ZINC000844762671 670941059 /nfs/dbraw/zinc/94/10/59/670941059.db2.gz YXTDYBRQNIZJAZ-UHFFFAOYSA-N 1 0 356.329 0.719 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC000845859469 671043944 /nfs/dbraw/zinc/04/39/44/671043944.db2.gz AJTDALPGHBMTPX-AWEZNQCLSA-N 1 0 370.431 0.912 10 5 FCBERO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847581335 671209034 /nfs/dbraw/zinc/20/90/34/671209034.db2.gz WYZBADMVCLLKAR-WDEREUQCSA-N 1 0 368.777 0.464 10 5 FCBERO O=C1O[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677403 671289753 /nfs/dbraw/zinc/28/97/53/671289753.db2.gz DBYQVQXNGIPDRJ-ZFWWWQNUSA-N 1 0 351.359 0.907 10 5 FCBERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852414295 671506180 /nfs/dbraw/zinc/50/61/80/671506180.db2.gz MKYQNIMZYKGTCD-SMDDNHRTSA-N 1 0 355.322 0.983 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 ZINC000853990938 671563129 /nfs/dbraw/zinc/56/31/29/671563129.db2.gz YDXOJFNHHPXFNX-ZDUSSCGKSA-N 1 0 372.447 0.789 10 5 FCBERO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860194581 671875133 /nfs/dbraw/zinc/87/51/33/671875133.db2.gz UIQKGPXSIOWXHM-SWLSCSKDSA-N 1 0 357.432 0.889 10 5 FCBERO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000861513249 671967394 /nfs/dbraw/zinc/96/73/94/671967394.db2.gz DIQZYWQEMQJLAA-UHFFFAOYSA-N 1 0 354.338 0.605 10 5 FCBERO CN(CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1[N+](=O)[O-] ZINC000869780360 672450294 /nfs/dbraw/zinc/45/02/94/672450294.db2.gz HFMQWMHMWXHQCN-ZDUSSCGKSA-N 1 0 350.419 0.992 10 5 FCBERO Cc1ccc(CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F 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CC(C)(C)NC(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001715300113 1287349116 /nfs/dbraw/zinc/34/91/16/1287349116.db2.gz MOQLTGPQFMPISU-CHWSQXEVSA-N 1 0 369.466 0.768 10 5 FCBERO Cc1nn(C)cc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001716904115 1287392475 /nfs/dbraw/zinc/39/24/75/1287392475.db2.gz DJYMJSZVSMLZTN-ZIAGYGMSSA-N 1 0 351.407 0.149 10 5 FCBERO CN1CCC([NH+]2CCC(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC001583985323 1282127160 /nfs/dbraw/zinc/12/71/60/1282127160.db2.gz QRUKMGCHWLJRGQ-UHFFFAOYSA-N 1 0 362.434 0.860 10 5 FCBERO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001632419258 1282174230 /nfs/dbraw/zinc/17/42/30/1282174230.db2.gz KKEDDDCYKLBOBF-MRXNPFEDSA-N 1 0 362.390 0.277 10 5 FCBERO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC001633493622 1282247804 /nfs/dbraw/zinc/24/78/04/1282247804.db2.gz MUBHAYNDNWEAQT-GFCCVEGCSA-N 1 0 368.415 0.180 10 5 FCBERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)C1 ZINC001587229057 1282341448 /nfs/dbraw/zinc/34/14/48/1282341448.db2.gz VSNGQAZTKSZXLS-GFCCVEGCSA-N 1 0 359.390 0.984 10 5 FCBERO C[C@H](CN1CCOCC1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001587297510 1282346895 /nfs/dbraw/zinc/34/68/95/1282346895.db2.gz XFGYCXLEKJKWEP-CXAGYDPISA-N 1 0 351.403 0.887 10 5 FCBERO C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001634827695 1282358947 /nfs/dbraw/zinc/35/89/47/1282358947.db2.gz IUMQNNUONZEPMJ-NEPJUHHUSA-N 1 0 370.431 0.472 10 5 FCBERO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635942270 1282443776 /nfs/dbraw/zinc/44/37/76/1282443776.db2.gz ROMKHFKTPBXFPU-GFCCVEGCSA-N 1 0 358.358 0.378 10 5 FCBERO Cc1c(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001636962333 1282548521 /nfs/dbraw/zinc/54/85/21/1282548521.db2.gz PDOYVFHEDQLIJO-NSHDSACASA-N 1 0 352.347 0.998 10 5 FCBERO CC(C)[NH+]1CCC(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001704884357 1286314689 /nfs/dbraw/zinc/31/46/89/1286314689.db2.gz PATGAGLZYIUZHV-HUUCEWRRSA-N 1 0 354.451 0.689 10 5 FCBERO O=C(NCC(=O)N1CC([NH2+][C@H]2CCOC2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC001597700384 1286357364 /nfs/dbraw/zinc/35/73/64/1286357364.db2.gz JDZBAGLRIDFJHA-LBPRGKRZSA-N 1 0 363.374 0.306 10 5 FCBERO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001705313859 1286378034 /nfs/dbraw/zinc/37/80/34/1286378034.db2.gz VLVOBXKIZRLUHO-QKPAOTATSA-N 1 0 366.462 0.975 10 5 FCBERO CCN(C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001724285395 1288435109 /nfs/dbraw/zinc/43/51/09/1288435109.db2.gz KDFVWHBENZJNMW-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO CC1([NH2+]CCCN2CCCC2=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724954205 1288456580 /nfs/dbraw/zinc/45/65/80/1288456580.db2.gz BMWKNKATCZKLKJ-ZIAGYGMSSA-N 1 0 352.435 0.635 10 5 FCBERO CN(CC(C)(C)C[NH2+]CC(=O)NCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001725181215 1288459801 /nfs/dbraw/zinc/45/98/01/1288459801.db2.gz JUXHEJPJICQCHO-CHWSQXEVSA-N 1 0 356.467 0.888 10 5 FCBERO CN(CC[NH2+]CC(=O)NCc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731910946 1288570290 /nfs/dbraw/zinc/57/02/90/1288570290.db2.gz DYOOJGXCCKXEHJ-TZMCWYRMSA-N 1 0 352.366 0.155 10 5 FCBERO CCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001733564334 1288619934 /nfs/dbraw/zinc/61/99/34/1288619934.db2.gz YWROWVPCIPULCU-YIDVYQOGSA-N 1 0 366.462 0.927 10 5 FCBERO CC1CC[NH+](CC(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001734734683 1288672157 /nfs/dbraw/zinc/67/21/57/1288672157.db2.gz OATMYXNCYSFAJE-HUUCEWRRSA-N 1 0 368.478 0.984 10 5 FCBERO CCn1cc(CC[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cn1 ZINC001700246302 1289589660 /nfs/dbraw/zinc/58/96/60/1289589660.db2.gz ITEKQXCIUBCXTH-HUUCEWRRSA-N 1 0 365.434 0.366 10 5 FCBERO O=C(C[NH+]1CCCC1)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001702055687 1289724555 /nfs/dbraw/zinc/72/45/55/1289724555.db2.gz WQVGUTUHDDSQGA-HUUCEWRRSA-N 1 0 350.419 0.412 10 5 FCBERO C[C@H](CC[NH+](C)C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001617120184 1289815914 /nfs/dbraw/zinc/81/59/14/1289815914.db2.gz LLXSFWICTMEPDA-GFCCVEGCSA-N 1 0 372.447 0.577 10 5 FCBERO C[C@]12C[NH+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@]1(C)C(=O)NC2=O ZINC001620487910 1289992611 /nfs/dbraw/zinc/99/26/11/1289992611.db2.gz JCPNMDLKOPGUSL-FSPWUOQZSA-N 1 0 372.381 0.685 10 5 FCBERO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001623265153 1290208895 /nfs/dbraw/zinc/20/88/95/1290208895.db2.gz QHLAYTGLDOMRGD-VXGBXAGGSA-N 1 0 370.431 0.424 10 5 FCBERO Cc1nn(CCC(=O)N(CCO)C2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC001627873339 1290489703 /nfs/dbraw/zinc/48/97/03/1290489703.db2.gz BYZYTKVLCXCCBL-UHFFFAOYSA-N 1 0 353.423 0.713 10 5 FCBERO CC(C)(C)OC(=O)CN1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001643778055 1290914283 /nfs/dbraw/zinc/91/42/83/1290914283.db2.gz LWYFNIHJKUSBMN-UHFFFAOYSA-N 1 0 353.379 0.854 10 5 FCBERO C[N@@H+]1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC001643885960 1290923328 /nfs/dbraw/zinc/92/33/28/1290923328.db2.gz MRRPSCXNWOVPIQ-CYBMUJFWSA-N 1 0 350.375 0.501 10 5 FCBERO O=C(CC[N@@H+]1C[C@H](CO)[C@H](CCO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648635946 1291134182 /nfs/dbraw/zinc/13/41/82/1291134182.db2.gz WNAYULXMKKSBKL-VXGBXAGGSA-N 1 0 355.366 0.985 10 5 FCBERO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652687497 1291290515 /nfs/dbraw/zinc/29/05/15/1291290515.db2.gz YKHUBZPCGNFBMN-ZDUSSCGKSA-N 1 0 362.386 0.304 10 5 FCBERO C[C@]12C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@]1(C)C(=O)NC2=O ZINC001654477644 1291413245 /nfs/dbraw/zinc/41/32/45/1291413245.db2.gz IEURNLRHOAFZGD-HDICACEKSA-N 1 0 372.381 0.469 10 5 FCBERO C[C@@]12C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)C(=O)NC2=O ZINC001654478829 1291413300 /nfs/dbraw/zinc/41/33/00/1291413300.db2.gz UGNDNDCGSSWZCZ-IRXDYDNUSA-N 1 0 360.370 0.908 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001685621187 1292575176 /nfs/dbraw/zinc/57/51/76/1292575176.db2.gz GBDNJPUZUDPFHW-ARFHVFGLSA-N 1 0 366.418 0.773 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3C[C@@H]3CCOC3)CC[C@@H]21 ZINC001123105739 848568509 /nfs/dbraw/zinc/56/85/09/848568509.db2.gz BIZBHCBNRSXWKW-MJBXVCDLSA-N 1 0 350.423 0.622 10 5 FCBERO CC[N@@H+]1CC[C@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001133014561 849146270 /nfs/dbraw/zinc/14/62/70/849146270.db2.gz CYEXKGOVRQIXTF-NSHDSACASA-N 1 0 352.416 0.996 10 5 FCBERO CCN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001138270085 849305359 /nfs/dbraw/zinc/30/53/59/849305359.db2.gz ZHMRUYNCIPZZMZ-UHFFFAOYSA-N 1 0 372.447 0.673 10 5 FCBERO COCC[NH+](CCOC)C1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001163642209 850376493 /nfs/dbraw/zinc/37/64/93/850376493.db2.gz BOXWCAXSXNKAAX-UHFFFAOYSA-N 1 0 352.391 0.477 10 5 FCBERO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001176600993 850792605 /nfs/dbraw/zinc/79/26/05/850792605.db2.gz XJQVQBZTMBNXRF-JKSUJKDBSA-N 1 0 352.366 0.875 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC001261791607 858665233 /nfs/dbraw/zinc/66/52/33/858665233.db2.gz WJFOTQUTMBHQBX-WCQYABFASA-N 1 0 373.435 0.235 10 5 FCBERO CC(C)N(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001265714764 859464266 /nfs/dbraw/zinc/46/42/66/859464266.db2.gz OLXISZKZKUGWAJ-SSZWKKLZSA-N 1 0 352.435 0.343 10 5 FCBERO O=C(C[NH2+]C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCC1 ZINC001271765206 860006939 /nfs/dbraw/zinc/00/69/39/860006939.db2.gz VSNCLXMCUVVZIR-KBUPBQIOSA-N 1 0 352.435 0.396 10 5 FCBERO O=C(NCCN1CCC([NH2+]Cc2cncs2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001271911770 860042823 /nfs/dbraw/zinc/04/28/23/860042823.db2.gz LGLRHDLRJKFFAD-ZIAGYGMSSA-N 1 0 353.448 0.479 10 5 FCBERO CCn1cc(C[NH2+]C2(CC)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001273757011 860582707 /nfs/dbraw/zinc/58/27/07/860582707.db2.gz MBXZOPFSQRMIIJ-ZIAGYGMSSA-N 1 0 350.423 0.824 10 5 FCBERO C[NH+](C)C1(C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 ZINC001281381774 863519986 /nfs/dbraw/zinc/51/99/86/863519986.db2.gz ZURVYSOOABKIPI-ZIAGYGMSSA-N 1 0 350.419 0.411 10 5 FCBERO O=C(C[NH+]1CCCC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001286040600 864669832 /nfs/dbraw/zinc/66/98/32/864669832.db2.gz LZOPOMHQBKVXQT-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO CCO[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001288686747 864799916 /nfs/dbraw/zinc/79/99/16/864799916.db2.gz ZRBLHGGUBVCIMX-LBPRGKRZSA-N 1 0 373.431 0.695 10 5 FCBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1([NH+](C)C)CCCC1 ZINC001296301246 865954986 /nfs/dbraw/zinc/95/49/86/865954986.db2.gz QIZMVSGVCDJGMC-ZIAGYGMSSA-N 1 0 354.451 0.881 10 5 FCBERO CC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001299017414 866142741 /nfs/dbraw/zinc/14/27/41/866142741.db2.gz JECWSBLXIHVLEO-NSHDSACASA-N 1 0 370.431 0.799 10 5 FCBERO C[N@@H+]1C[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3C[C@H]3CCOC3)C[C@]2(C)C1 ZINC001349236576 866275054 /nfs/dbraw/zinc/27/50/54/866275054.db2.gz BMMWXSMOECTMCR-IOASZLSFSA-N 1 0 350.423 0.479 10 5 FCBERO CC[NH+]1CCN(C2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001350716801 866667228 /nfs/dbraw/zinc/66/72/28/866667228.db2.gz JAMRTKVMBGTNKS-UHFFFAOYSA-N 1 0 350.423 0.375 10 5 FCBERO Cc1ccc([C@H](C)NC(=O)C(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC001351550973 866897832 /nfs/dbraw/zinc/89/78/32/866897832.db2.gz JJAPWQDTCQBMOT-LBPRGKRZSA-N 1 0 352.391 0.562 10 5 FCBERO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001322927725 868993417 /nfs/dbraw/zinc/99/34/17/868993417.db2.gz SIZIEWCWGXEKCF-LBPRGKRZSA-N 1 0 350.375 0.300 10 5 FCBERO [NH3+]CC1(CCNC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001326861871 870537694 /nfs/dbraw/zinc/53/76/94/870537694.db2.gz OUWOMJBMPFDCGT-UHFFFAOYSA-N 1 0 350.375 0.335 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC001329737374 872220045 /nfs/dbraw/zinc/22/00/45/872220045.db2.gz ZUEVGOWMWSKLJE-GFCCVEGCSA-N 1 0 350.375 0.430 10 5 FCBERO C[N@H+](CC(=O)NCC(C)(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331016255 872915703 /nfs/dbraw/zinc/91/57/03/872915703.db2.gz LKBGQQFRHQVRLK-ZIAGYGMSSA-N 1 0 354.451 0.737 10 5 FCBERO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001331738713 873223464 /nfs/dbraw/zinc/22/34/64/873223464.db2.gz OOGACJROXIVPDK-LBPRGKRZSA-N 1 0 352.391 0.433 10 5 FCBERO C[C@@H](O)CCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265142697 210063643 /nfs/dbraw/zinc/06/36/43/210063643.db2.gz QSEGZKPKXFGXIT-LLVKDONJSA-N 1 0 360.436 0.618 10 5 FCBERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000284918772 213248887 /nfs/dbraw/zinc/24/88/87/213248887.db2.gz SZYPTHQWMOWAQI-IAGOWNOFSA-N 1 0 360.414 0.889 10 5 FCBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000366783654 216030589 /nfs/dbraw/zinc/03/05/89/216030589.db2.gz CXAWBBAVQMYLPR-UKRRQHHQSA-N 1 0 362.386 0.821 10 5 FCBERO CCOC(=O)C1(COC)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000373803858 217062114 /nfs/dbraw/zinc/06/21/14/217062114.db2.gz FQVWHESGTCFCHM-AWEZNQCLSA-N 1 0 370.406 0.444 10 5 FCBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423640609 247087396 /nfs/dbraw/zinc/08/73/96/247087396.db2.gz VZFTWDUIIYUDCI-GASCZTMLSA-N 1 0 360.414 0.949 10 5 FCBERO Cc1nn(CCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(C)c1[N+](=O)[O-] ZINC000452397045 249316244 /nfs/dbraw/zinc/31/62/44/249316244.db2.gz ZBSAPGNHZHCTKF-CQSZACIVSA-N 1 0 353.423 0.761 10 5 FCBERO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000452387928 249317130 /nfs/dbraw/zinc/31/71/30/249317130.db2.gz IKPNDLFBXCHTLS-CQSZACIVSA-N 1 0 374.401 0.752 10 5 FCBERO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000453813264 249371080 /nfs/dbraw/zinc/37/10/80/249371080.db2.gz BYVUTIKFKPXELJ-CQSZACIVSA-N 1 0 364.402 0.805 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000270758207 211261984 /nfs/dbraw/zinc/26/19/84/211261984.db2.gz LJSCUTYNEUVVLX-UHFFFAOYSA-N 1 0 372.429 0.876 10 5 FCBERO COc1ccc(S(=O)(=O)N2CCCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000269686083 211043358 /nfs/dbraw/zinc/04/33/58/211043358.db2.gz HFXCGKCWGFZCAG-UHFFFAOYSA-N 1 0 359.404 0.292 10 5 FCBERO COC(=O)c1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000269637587 211029145 /nfs/dbraw/zinc/02/91/45/211029145.db2.gz XGKMUTSLKASYTK-HNNXBMFYSA-N 1 0 365.386 0.958 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075960563 208065997 /nfs/dbraw/zinc/06/59/97/208065997.db2.gz LZOLZIQOIBPWNZ-HOCLYGCPSA-N 1 0 353.419 0.723 10 5 FCBERO CN1CCC(CNC(=O)c2[nH]ncc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000121032431 208395820 /nfs/dbraw/zinc/39/58/20/208395820.db2.gz IEEIHSABSDTEBJ-UHFFFAOYSA-N 1 0 350.423 0.998 10 5 FCBERO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCN1CCO ZINC000188770347 229250561 /nfs/dbraw/zinc/25/05/61/229250561.db2.gz SWFHVMYCSVAWOA-GFCCVEGCSA-N 1 0 360.374 0.314 10 5 FCBERO O=C(NCCCC[NH+]1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041784989 487841487 /nfs/dbraw/zinc/84/14/87/487841487.db2.gz LPFQRGLQJZSTDL-UHFFFAOYSA-N 1 0 350.375 0.762 10 5 FCBERO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCCC[NH+]1CCOCC1 ZINC000053449724 488201618 /nfs/dbraw/zinc/20/16/18/488201618.db2.gz AKBDORDGJNCPPX-UHFFFAOYSA-N 1 0 364.402 0.553 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248375734 488495420 /nfs/dbraw/zinc/49/54/20/488495420.db2.gz XUQWMQUFPUMCJW-SOUVJXGZSA-N 1 0 353.419 0.721 10 5 FCBERO CC[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000248444369 488495835 /nfs/dbraw/zinc/49/58/35/488495835.db2.gz BNJMATSIMKYTHC-QWHCGFSZSA-N 1 0 354.411 0.278 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000248442151 488495945 /nfs/dbraw/zinc/49/59/45/488495945.db2.gz DXPOITMGIXOWJT-CABCVRRESA-N 1 0 351.403 0.741 10 5 FCBERO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000248447315 488496763 /nfs/dbraw/zinc/49/67/63/488496763.db2.gz HETKUMLNXTWKSH-HLLBOEOZSA-N 1 0 365.430 0.987 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270606562 488517077 /nfs/dbraw/zinc/51/70/77/488517077.db2.gz HPPRLSOAYKSPCY-SNVBAGLBSA-N 1 0 351.363 0.675 10 5 FCBERO C[N@H+](CCO)C1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272180935 488566571 /nfs/dbraw/zinc/56/65/71/488566571.db2.gz IVYJYWBLQHIKPO-UHFFFAOYSA-N 1 0 363.461 0.953 10 5 FCBERO C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C[C@H]1C ZINC000124715732 488595072 /nfs/dbraw/zinc/59/50/72/488595072.db2.gz VLQKMXJXDRVJPO-VXGBXAGGSA-N 1 0 357.432 0.890 10 5 FCBERO CC(C)C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCC[NH+](C)C ZINC000128019438 488621592 /nfs/dbraw/zinc/62/15/92/488621592.db2.gz YLLIIGUUNQQMTF-LBPRGKRZSA-N 1 0 354.411 0.000 10 5 FCBERO CS(=O)(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000273209133 488637801 /nfs/dbraw/zinc/63/78/01/488637801.db2.gz VEIHBQOAUVXEQX-SNVBAGLBSA-N 1 0 374.394 0.686 10 5 FCBERO C[N@@H+]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000138569154 488682188 /nfs/dbraw/zinc/68/21/88/488682188.db2.gz GJQWIQJTOOBISR-LBPRGKRZSA-N 1 0 370.431 0.474 10 5 FCBERO C[NH+](C)C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000162970762 488806169 /nfs/dbraw/zinc/80/61/69/488806169.db2.gz PQNHQHYWGAMLEC-AWEZNQCLSA-N 1 0 357.432 0.730 10 5 FCBERO CC[C@H](O)CN1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173106107 488840926 /nfs/dbraw/zinc/84/09/26/488840926.db2.gz FLKPVPOPDZZPLM-AWEZNQCLSA-N 1 0 350.419 0.946 10 5 FCBERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000174849580 488851660 /nfs/dbraw/zinc/85/16/60/488851660.db2.gz LALUQXDEIZSRIK-QGZVFWFLSA-N 1 0 366.466 0.518 10 5 FCBERO O=c1nc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000288801902 489017484 /nfs/dbraw/zinc/01/74/84/489017484.db2.gz CZCWIEBSPQTHJN-RYUDHWBXSA-N 1 0 363.374 0.626 10 5 FCBERO COC(=O)c1cc(C)nc(N2CCN(C[C@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000286722378 489421397 /nfs/dbraw/zinc/42/13/97/489421397.db2.gz FBYCXVXBOVFVJQ-NEPJUHHUSA-N 1 0 352.391 0.976 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426456153 489568241 /nfs/dbraw/zinc/56/82/41/489568241.db2.gz FDROEWPKHZOIMS-ZDUSSCGKSA-N 1 0 366.418 0.930 10 5 FCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427165196 489597077 /nfs/dbraw/zinc/59/70/77/489597077.db2.gz QKPUBKQTWUNUKW-CQSZACIVSA-N 1 0 351.407 0.895 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000427453208 489608809 /nfs/dbraw/zinc/60/88/09/489608809.db2.gz OBQSTRZZRZTKAR-GFCCVEGCSA-N 1 0 366.422 0.484 10 5 FCBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020299 489675978 /nfs/dbraw/zinc/67/59/78/489675978.db2.gz NBVUNYIUWMKYCR-BXUZGUMPSA-N 1 0 370.431 0.666 10 5 FCBERO C[C@@H]1CN(CCO)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458708382 489696954 /nfs/dbraw/zinc/69/69/54/489696954.db2.gz SRQCGXHRPYFNMJ-LLVKDONJSA-N 1 0 362.390 0.679 10 5 FCBERO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418752301 489721847 /nfs/dbraw/zinc/72/18/47/489721847.db2.gz SYIOXAFRCLBQIG-LBPRGKRZSA-N 1 0 370.360 0.819 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000420452768 489980023 /nfs/dbraw/zinc/98/00/23/489980023.db2.gz CMPGEEDFCUXXPO-NEPJUHHUSA-N 1 0 357.436 0.964 10 5 FCBERO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000420980090 490038702 /nfs/dbraw/zinc/03/87/02/490038702.db2.gz UEFKPQBVRLGBGV-LLVKDONJSA-N 1 0 350.375 1.000 10 5 FCBERO COC(=O)C1(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420977355 490038919 /nfs/dbraw/zinc/03/89/19/490038919.db2.gz UYYIYCGPSBXADN-UHFFFAOYSA-N 1 0 371.415 0.758 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423036822 490526240 /nfs/dbraw/zinc/52/62/40/490526240.db2.gz LQZXYXPBXGVIAF-HZPDHXFCSA-N 1 0 369.443 0.725 10 5 FCBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000513432464 490728443 /nfs/dbraw/zinc/72/84/43/490728443.db2.gz AAGMDPMNQMEWLE-OAHLLOKOSA-N 1 0 363.418 0.971 10 5 FCBERO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000502958105 490732564 /nfs/dbraw/zinc/73/25/64/490732564.db2.gz VLTLGWDMZFOHDR-MEDUHNTESA-N 1 0 368.390 0.221 10 5 FCBERO COCC[N@@H+]1CCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000542764177 490907344 /nfs/dbraw/zinc/90/73/44/490907344.db2.gz NXDVWCASDOMDIX-NSHDSACASA-N 1 0 358.420 0.765 10 5 FCBERO COCC[N@@H+]1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000542764176 490907658 /nfs/dbraw/zinc/90/76/58/490907658.db2.gz NXDVWCASDOMDIX-LLVKDONJSA-N 1 0 358.420 0.765 10 5 FCBERO CS(=O)(=O)c1cc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc([N+](=O)[O-])c1 ZINC000572521408 491376056 /nfs/dbraw/zinc/37/60/56/491376056.db2.gz HTGCTCIOHNOFOK-NSHDSACASA-N 1 0 363.342 0.725 10 5 FCBERO Cc1cc(N2CCC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000574445742 491497309 /nfs/dbraw/zinc/49/73/09/491497309.db2.gz FFHCUMWKVNJOGJ-ZFWWWQNUSA-N 1 0 363.422 0.453 10 5 FCBERO Cc1ccc(NCCC[NH2+]C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000567689710 491523266 /nfs/dbraw/zinc/52/32/66/491523266.db2.gz PIHRTWZWIOIBLN-HNNXBMFYSA-N 1 0 352.435 0.988 10 5 FCBERO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000568056907 491550782 /nfs/dbraw/zinc/55/07/82/491550782.db2.gz GNFJJCFFDCNGLN-UHFFFAOYSA-N 1 0 373.431 0.993 10 5 FCBERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560666767 491551581 /nfs/dbraw/zinc/55/15/81/491551581.db2.gz ITTJDMXPONCESS-ZDUSSCGKSA-N 1 0 358.398 0.832 10 5 FCBERO C[N@@H+]1CCC[C@H]1C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000576478207 491617874 /nfs/dbraw/zinc/61/78/74/491617874.db2.gz SNAHRLBOUUGMRJ-HNNXBMFYSA-N 1 0 358.402 1.550 10 5 FCBERO CCn1cc(S(=O)(=O)N2CCC([NH2+]CCOC)CC2)c([N+](=O)[O-])n1 ZINC000578076447 491669328 /nfs/dbraw/zinc/66/93/28/491669328.db2.gz IPXLMSFXDUFIBH-UHFFFAOYSA-N 1 0 361.424 0.200 10 5 FCBERO COc1ccc(CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000580068491 491716004 /nfs/dbraw/zinc/71/60/04/491716004.db2.gz KGMUPTGHHLFTTL-UHFFFAOYSA-N 1 0 350.375 0.036 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442286 491776873 /nfs/dbraw/zinc/77/68/73/491776873.db2.gz FGBZVYVTFVYJQS-WCQYABFASA-N 1 0 364.427 0.948 10 5 FCBERO C[NH+]1CCC2(CC1)CN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CCO2 ZINC000591994808 491827347 /nfs/dbraw/zinc/82/73/47/491827347.db2.gz UJGZGUBBTYEESO-UHFFFAOYSA-N 1 0 370.431 0.543 10 5 FCBERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594918733 491871993 /nfs/dbraw/zinc/87/19/93/491871993.db2.gz RUNABPCGLOPLSL-DDTOSNHZSA-N 1 0 371.415 0.660 10 5 FCBERO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000595109450 491884390 /nfs/dbraw/zinc/88/43/90/491884390.db2.gz GYPNGDYTHPRJSE-GXTWGEPZSA-N 1 0 370.431 0.897 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595384993 491926573 /nfs/dbraw/zinc/92/65/73/491926573.db2.gz QVQPYDAPMGFKAS-CQSZACIVSA-N 1 0 355.416 0.815 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595892949 491959269 /nfs/dbraw/zinc/95/92/69/491959269.db2.gz SLQFJBYKQKVIDP-GFCCVEGCSA-N 1 0 366.443 0.935 10 5 FCBERO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cnnn1C1CC[NH2+]CC1 ZINC000595914561 491960839 /nfs/dbraw/zinc/96/08/39/491960839.db2.gz CFQMGDBSDJVKKQ-UHFFFAOYSA-N 1 0 359.390 0.953 10 5 FCBERO CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000597947590 492074552 /nfs/dbraw/zinc/07/45/52/492074552.db2.gz ZKRFPOIWUJAYSZ-OAHLLOKOSA-N 1 0 363.418 0.947 10 5 FCBERO Nc1c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000598453101 492099151 /nfs/dbraw/zinc/09/91/51/492099151.db2.gz OOLYNLVQHUQQMF-LBPRGKRZSA-N 1 0 352.366 0.987 10 5 FCBERO COC(=O)CCNC(=O)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599006740 492130181 /nfs/dbraw/zinc/13/01/81/492130181.db2.gz HHXAOBJOGAAPBH-UHFFFAOYSA-N 1 0 367.358 0.525 10 5 FCBERO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599090564 492134400 /nfs/dbraw/zinc/13/44/00/492134400.db2.gz NFQTUTNVFYPGGF-QWHCGFSZSA-N 1 0 372.451 0.355 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000599097271 492135035 /nfs/dbraw/zinc/13/50/35/492135035.db2.gz ACLTXKHXEGPFTF-DMDPSCGWSA-N 1 0 373.435 0.378 10 5 FCBERO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000599110782 492136494 /nfs/dbraw/zinc/13/64/94/492136494.db2.gz QOVTUHKYAUEEOP-CYBMUJFWSA-N 1 0 370.431 0.769 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000599112510 492136954 /nfs/dbraw/zinc/13/69/54/492136954.db2.gz XPLALCAFYOWIMH-LBPRGKRZSA-N 1 0 352.376 0.199 10 5 FCBERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256075 492149685 /nfs/dbraw/zinc/14/96/85/492149685.db2.gz RCEVCAKECDVBGM-TUAOUCFPSA-N 1 0 359.452 0.973 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000617407223 492166574 /nfs/dbraw/zinc/16/65/74/492166574.db2.gz HUAOSVLRTXATBV-CYBMUJFWSA-N 1 0 350.423 0.663 10 5 FCBERO CC1(N2CCOCC2)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599622527 492194655 /nfs/dbraw/zinc/19/46/55/492194655.db2.gz LEEMHHYETZOCEC-HNNXBMFYSA-N 1 0 353.423 0.339 10 5 FCBERO [NH3+]CC1(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000599897571 492215547 /nfs/dbraw/zinc/21/55/47/492215547.db2.gz IQZREVBNYJORFF-UHFFFAOYSA-N 1 0 356.766 0.811 10 5 FCBERO O=C([C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000610369549 492243625 /nfs/dbraw/zinc/24/36/25/492243625.db2.gz SXQYLHQLIMQXSV-HIFRSBDPSA-N 1 0 351.407 0.487 10 5 FCBERO CC1([NH+]2CCOCC2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000600410882 492268104 /nfs/dbraw/zinc/26/81/04/492268104.db2.gz OYBWCCNSZDYPRJ-UHFFFAOYSA-N 1 0 351.407 0.895 10 5 FCBERO Cc1c(Cl)cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000547278380 546904023 /nfs/dbraw/zinc/90/40/23/546904023.db2.gz HGQFATXUQQBFHC-CYBMUJFWSA-N 1 0 363.823 0.902 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498165 546915900 /nfs/dbraw/zinc/91/59/00/546915900.db2.gz WTHODUHHBRAYJK-SNVBAGLBSA-N 1 0 357.388 0.611 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592877897 546959973 /nfs/dbraw/zinc/95/99/73/546959973.db2.gz APZYEQLQCZGMQR-LLVKDONJSA-N 1 0 350.375 0.795 10 5 FCBERO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593547480 546973910 /nfs/dbraw/zinc/97/39/10/546973910.db2.gz QTDYNIDLFSRBMH-UHFFFAOYSA-N 1 0 357.436 0.248 10 5 FCBERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593568568 546977544 /nfs/dbraw/zinc/97/75/44/546977544.db2.gz UQIQUVIGCPAYOJ-MRVWCRGKSA-N 1 0 370.431 0.862 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594603962 547002393 /nfs/dbraw/zinc/00/23/93/547002393.db2.gz PPJFPHFNLHAABT-NWDGAFQWSA-N 1 0 370.431 0.100 10 5 FCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000594759318 547005980 /nfs/dbraw/zinc/00/59/80/547005980.db2.gz NTOLASDWMIGUAF-LBPRGKRZSA-N 1 0 358.420 0.505 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000907801772 666160675 /nfs/dbraw/zinc/16/06/75/666160675.db2.gz KWQPLBZQZVLANE-UHFFFAOYSA-N 1 0 350.423 0.448 10 5 FCBERO Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000766968883 668042446 /nfs/dbraw/zinc/04/24/46/668042446.db2.gz WOPLMFZDVGWJDN-UHFFFAOYSA-N 1 0 351.363 0.228 10 5 FCBERO C[NH+](C)CCN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000844568687 670929789 /nfs/dbraw/zinc/92/97/89/670929789.db2.gz CFDICPPCXWKDIX-UHFFFAOYSA-N 1 0 351.432 0.997 10 5 FCBERO [NH3+]C[C@@H]1CC(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)=NO1 ZINC000852816826 671526515 /nfs/dbraw/zinc/52/65/15/671526515.db2.gz HBXJXTCFXQWKGE-VIFPVBQESA-N 1 0 367.387 0.044 10 5 FCBERO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000903426818 675929523 /nfs/dbraw/zinc/92/95/23/675929523.db2.gz OTCIOIFBOUTPMA-KGLIPLIRSA-N 1 0 368.459 0.757 10 5 FCBERO CN(CC[NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267370701 1180045569 /nfs/dbraw/zinc/04/55/69/1180045569.db2.gz CQXGJSZTQJOBCL-GHMZBOCLSA-N 1 0 367.406 0.624 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)CC[C@@H]21 ZINC001648928045 1183675501 /nfs/dbraw/zinc/67/55/01/1183675501.db2.gz IQHATXRGAHWFAV-RISCZKNCSA-N 1 0 357.374 0.737 10 5 FCBERO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccco1 ZINC001482015887 1187570465 /nfs/dbraw/zinc/57/04/65/1187570465.db2.gz LEIBBAUNYDWZLI-QHSBEEBCSA-N 1 0 364.402 0.578 10 5 FCBERO COCCN(Cc1nnc(C)o1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269640446 1187860592 /nfs/dbraw/zinc/86/05/92/1187860592.db2.gz ZUHWYPWLQFWXSW-ZIAGYGMSSA-N 1 0 367.406 0.483 10 5 FCBERO Cc1cc(OCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000592872137 1196585381 /nfs/dbraw/zinc/58/53/81/1196585381.db2.gz JQXVAZAXTNJNRW-CYBMUJFWSA-N 1 0 364.402 0.860 10 5 FCBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052607 1196605975 /nfs/dbraw/zinc/60/59/75/1196605975.db2.gz QZOCLXFOAJDBSB-ZDUSSCGKSA-N 1 0 363.418 0.628 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000592880958 1196740002 /nfs/dbraw/zinc/74/00/02/1196740002.db2.gz QKUZJYQMAMBIOJ-ZDUSSCGKSA-N 1 0 364.402 0.942 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1=O ZINC000593235328 1196765824 /nfs/dbraw/zinc/76/58/24/1196765824.db2.gz NJYONCKHJQCAEN-UHFFFAOYSA-N 1 0 370.356 0.648 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593776529 1196819473 /nfs/dbraw/zinc/81/94/73/1196819473.db2.gz IPUZGFAREJMQJH-UKRRQHHQSA-N 1 0 364.402 0.342 10 5 FCBERO CCO[C@@H]1CN(C(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C[NH3+] ZINC000593917106 1196840874 /nfs/dbraw/zinc/84/08/74/1196840874.db2.gz WGRMSMODOPZQMP-FRRDWIJNSA-N 1 0 368.438 0.649 10 5 FCBERO COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001175810931 1206308167 /nfs/dbraw/zinc/30/81/67/1206308167.db2.gz MYMLPOINPMBFGW-INIZCTEOSA-N 1 0 360.370 0.997 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008414 1206370685 /nfs/dbraw/zinc/37/06/85/1206370685.db2.gz KGALCNPVONUJQE-YPMHNXCESA-N 1 0 366.422 0.417 10 5 FCBERO C[NH+]1CCC2(CCN2C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC001180813393 1206400931 /nfs/dbraw/zinc/40/09/31/1206400931.db2.gz NLHYCNUJYMFXQH-UHFFFAOYSA-N 1 0 372.381 0.888 10 5 FCBERO CNC(=O)c1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c([N+](=O)[O-])c1 ZINC001187914379 1207399143 /nfs/dbraw/zinc/39/91/43/1207399143.db2.gz YDDIVSGITDBKBK-SUMWQHHRSA-N 1 0 364.402 0.592 10 5 FCBERO CC[N@H+](C)CCC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001489011373 1208606755 /nfs/dbraw/zinc/60/67/55/1208606755.db2.gz BYTYKNIHBONDCC-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO O=C(NCCC1(CNC(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001489065952 1208618286 /nfs/dbraw/zinc/61/82/86/1208618286.db2.gz FQHHXSSHECBPPF-CHWSQXEVSA-N 1 0 350.419 0.150 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764347 1209761351 /nfs/dbraw/zinc/76/13/51/1209761351.db2.gz PSWRBUIYNRWNOM-UHFFFAOYSA-N 1 0 372.328 0.457 10 5 FCBERO CCN(C)C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001274885786 1211137202 /nfs/dbraw/zinc/13/72/02/1211137202.db2.gz RYWAYIXICOCMQK-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO COc1cccc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001277055938 1225815737 /nfs/dbraw/zinc/81/57/37/1225815737.db2.gz YCIPVWNXKVIFOP-ZIAGYGMSSA-N 1 0 362.386 0.537 10 5 FCBERO CC1(C)CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1[NH3+] ZINC000903552556 1218447091 /nfs/dbraw/zinc/44/70/91/1218447091.db2.gz PFCOCCXQIFABOV-INIZCTEOSA-N 1 0 361.446 0.913 10 5 FCBERO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)CC1 ZINC001139721730 1222556127 /nfs/dbraw/zinc/55/61/27/1222556127.db2.gz KDAGOGQRRAVWHP-UHFFFAOYSA-N 1 0 357.374 0.952 10 5 FCBERO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847580790 1245345955 /nfs/dbraw/zinc/34/59/55/1245345955.db2.gz PZOFRJHSKVWKLH-WDEREUQCSA-N 1 0 366.349 0.258 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC001328797643 1265615741 /nfs/dbraw/zinc/61/57/41/1265615741.db2.gz GOCWWEJGMBLYQA-UKRRQHHQSA-N 1 0 364.402 0.076 10 5 FCBERO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cn1 ZINC001484182393 1263457595 /nfs/dbraw/zinc/45/75/95/1263457595.db2.gz UHKRVRJRHHVTQG-ZIAGYGMSSA-N 1 0 364.402 0.510 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)Nc1ccc(O)cc1 ZINC001484634631 1263481687 /nfs/dbraw/zinc/48/16/87/1263481687.db2.gz PFTLRXPNHPTRBZ-ZIAGYGMSSA-N 1 0 362.386 0.624 10 5 FCBERO O=C(CCC[NH+]1CCCC1)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001492088467 1263637516 /nfs/dbraw/zinc/63/75/16/1263637516.db2.gz OILKIUQJWRTBQX-HUUCEWRRSA-N 1 0 352.435 0.635 10 5 FCBERO CN(CC[NH2+]CC(=O)NC1CCCCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493546453 1263725711 /nfs/dbraw/zinc/72/57/11/1263725711.db2.gz XUVBGXXTHIDDSK-HUUCEWRRSA-N 1 0 354.451 0.929 10 5 FCBERO O=C(NCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)C1CC1 ZINC001501163502 1264105513 /nfs/dbraw/zinc/10/55/13/1264105513.db2.gz CYQUIAICYRIQFL-DPZJBDQQSA-N 1 0 364.446 0.537 10 5 FCBERO Cc1cc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1C ZINC001501258111 1264115309 /nfs/dbraw/zinc/11/53/09/1264115309.db2.gz QZDVOTGATBPMRM-HZPDHXFCSA-N 1 0 364.450 0.064 10 5 FCBERO O=C(NCC1([NH2+]CC2CCS(=O)(=O)CC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001501950710 1264157097 /nfs/dbraw/zinc/15/70/97/1264157097.db2.gz NNXDOVJOFFCCAX-CHWSQXEVSA-N 1 0 359.448 0.105 10 5 FCBERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC001323615043 1264468511 /nfs/dbraw/zinc/46/85/11/1264468511.db2.gz CWFGUQMWXNIYIU-JSGCOSHPSA-N 1 0 366.422 0.096 10 5 FCBERO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCCC1 ZINC001525022835 1266734967 /nfs/dbraw/zinc/73/49/67/1266734967.db2.gz XBFBBDFDGVAXLV-KBUPBQIOSA-N 1 0 366.462 0.927 10 5 FCBERO CCC[N@H+](C)CC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001512542095 1264630230 /nfs/dbraw/zinc/63/02/30/1264630230.db2.gz BFXJMDIZLVOCKV-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO O=Cc1ccc(OCC(=O)NC[C@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC001324523129 1264663905 /nfs/dbraw/zinc/66/39/05/1264663905.db2.gz BMRDOCKJUZMZBG-CQSZACIVSA-N 1 0 365.386 0.749 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001526179092 1266789195 /nfs/dbraw/zinc/78/91/95/1266789195.db2.gz KTKHZYYCOBETDW-SSZWKKLZSA-N 1 0 350.419 0.101 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC001540588267 1267454188 /nfs/dbraw/zinc/45/41/88/1267454188.db2.gz IGXRTGWOAQJREP-UHFFFAOYSA-N 1 0 367.381 0.670 10 5 FCBERO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001542792701 1267506602 /nfs/dbraw/zinc/50/66/02/1267506602.db2.gz GHCJKKVLBJSANE-UHFFFAOYSA-N 1 0 370.431 0.799 10 5 FCBERO CN(C)S(=O)(=O)c1ccc(N(C)CC[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001559236550 1269164557 /nfs/dbraw/zinc/16/45/57/1269164557.db2.gz LXYBRXGCWGFJCH-UHFFFAOYSA-N 1 0 360.436 0.205 10 5 FCBERO CNC(=O)C1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001560147925 1269191971 /nfs/dbraw/zinc/19/19/71/1269191971.db2.gz FAVDZAHYZCZFAL-GFCCVEGCSA-N 1 0 353.375 0.219 10 5 FCBERO C[C@@H](NC(=O)N(C)C[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001565338111 1269463960 /nfs/dbraw/zinc/46/39/60/1269463960.db2.gz PQNHPMJSLUQKCX-CZUORRHYSA-N 1 0 366.418 0.990 10 5 FCBERO C[NH+](C)CCOC1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 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VGTVLZQHFGKZNB-HUUCEWRRSA-N 1 0 351.407 0.318 10 5 FCBERO [NH3+]CCCOCCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001329449267 872038325 /nfs/dbraw/zinc/03/83/25/872038325.db2.gz YOFMAZQRJIPBPT-UHFFFAOYSA-N 1 0 358.782 0.346 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001330008746 872417825 /nfs/dbraw/zinc/41/78/25/872417825.db2.gz NMCKHLHPVIRBQI-GFCCVEGCSA-N 1 0 352.391 0.466 10 5 FCBERO C[C@H](CO)[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265858638 210235862 /nfs/dbraw/zinc/23/58/62/210235862.db2.gz RJQCYBMEFAMYDL-NEPJUHHUSA-N 1 0 374.463 0.864 10 5 FCBERO CN(CC(=O)NCCCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265604558 210177488 /nfs/dbraw/zinc/17/74/88/210177488.db2.gz ARVBXBNUMNOKGR-UHFFFAOYSA-N 1 0 372.447 0.673 10 5 FCBERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285194726 213301424 /nfs/dbraw/zinc/30/14/24/213301424.db2.gz VNVMYHQZKZOQKX-GJZGRUSLSA-N 1 0 355.416 0.830 10 5 FCBERO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000366998836 216061012 /nfs/dbraw/zinc/06/10/12/216061012.db2.gz YGMCRPWBYZCTMM-LBPRGKRZSA-N 1 0 357.436 0.710 10 5 FCBERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246273059 209383043 /nfs/dbraw/zinc/38/30/43/209383043.db2.gz MOVBOLOXBMCUJU-DLBZAZTESA-N 1 0 362.430 0.867 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368821222 216299537 /nfs/dbraw/zinc/29/95/37/216299537.db2.gz AZXGPMGCVLGLKM-CQSZACIVSA-N 1 0 364.402 0.948 10 5 FCBERO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415359736 245399964 /nfs/dbraw/zinc/39/99/64/245399964.db2.gz WNMRFJYTZUNQBK-QMMMGPOBSA-N 1 0 357.164 0.855 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000183648023 209150044 /nfs/dbraw/zinc/15/00/44/209150044.db2.gz IAILWTYHOCZRDJ-INIZCTEOSA-N 1 0 362.430 0.926 10 5 FCBERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181922509 209124725 /nfs/dbraw/zinc/12/47/25/209124725.db2.gz XBXKJMSCMNNLSM-HUUCEWRRSA-N 1 0 353.419 0.723 10 5 FCBERO Cn1cc([C@H]2CNCCN2S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000181688883 209120864 /nfs/dbraw/zinc/12/08/64/209120864.db2.gz AUENAYFWYCPLLC-OAHLLOKOSA-N 1 0 365.415 0.805 10 5 FCBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419344321 246107527 /nfs/dbraw/zinc/10/75/27/246107527.db2.gz RXBKDVHWMYOBBM-KBPBESRZSA-N 1 0 350.419 0.945 10 5 FCBERO C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000423983346 247156552 /nfs/dbraw/zinc/15/65/52/247156552.db2.gz MIWYENIDPOBFNT-SJKOYZFVSA-N 1 0 363.418 0.837 10 5 FCBERO Cc1c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cccc1[N+](=O)[O-] ZINC000453819894 249374491 /nfs/dbraw/zinc/37/44/91/249374491.db2.gz NUYJWXURMQUTKL-CYBMUJFWSA-N 1 0 364.402 0.805 10 5 FCBERO O=Cc1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000269600581 211020464 /nfs/dbraw/zinc/02/04/64/211020464.db2.gz OQIWBGULRJOBSM-AWEZNQCLSA-N 1 0 365.386 0.749 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075960566 208064151 /nfs/dbraw/zinc/06/41/51/208064151.db2.gz LZOLZIQOIBPWNZ-ZBFHGGJFSA-N 1 0 353.419 0.723 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529891 208131261 /nfs/dbraw/zinc/13/12/61/208131261.db2.gz REPYZEKNVAQRTH-MRXNPFEDSA-N 1 0 363.462 0.858 10 5 FCBERO COCC[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106108197 208210214 /nfs/dbraw/zinc/21/02/14/208210214.db2.gz RZVLDXISBJRXTG-HOCLYGCPSA-N 1 0 353.419 0.987 10 5 FCBERO O=C([C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCOCC1 ZINC000179313460 209075538 /nfs/dbraw/zinc/07/55/38/209075538.db2.gz KFUIXBSFRGILNG-AWEZNQCLSA-N 1 0 364.402 0.327 10 5 FCBERO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003655 488910062 /nfs/dbraw/zinc/91/00/62/488910062.db2.gz DCNFRXCARYJBHW-BZNIZROVSA-N 1 0 364.358 0.009 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247775778 488489404 /nfs/dbraw/zinc/48/94/04/488489404.db2.gz QNBJELSTHRQZGR-KGLIPLIRSA-N 1 0 350.419 0.945 10 5 FCBERO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000248447314 488496993 /nfs/dbraw/zinc/49/69/93/488496993.db2.gz HETKUMLNXTWKSH-BFYDXBDKSA-N 1 0 365.430 0.987 10 5 FCBERO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCOCC1 ZINC000261927031 488542354 /nfs/dbraw/zinc/54/23/54/488542354.db2.gz VUZPUXNPCPEHFK-UHFFFAOYSA-N 1 0 368.415 0.449 10 5 FCBERO Cc1nn(Cc2ccc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cc2)c(C)c1[N+](=O)[O-] ZINC000262069906 488549236 /nfs/dbraw/zinc/54/92/36/488549236.db2.gz BMSRXLFKYRIJLS-CVEARBPZSA-N 1 0 373.413 0.767 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262302152 488562607 /nfs/dbraw/zinc/56/26/07/488562607.db2.gz XQGCKGFVUISGFQ-CYBMUJFWSA-N 1 0 370.431 0.272 10 5 FCBERO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000262611068 488581113 /nfs/dbraw/zinc/58/11/13/488581113.db2.gz CXQPMCDQUHUDNA-MNOVXSKESA-N 1 0 370.431 0.654 10 5 FCBERO Cc1ccc(CN2CCOCC2)cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000126062635 488606337 /nfs/dbraw/zinc/60/63/37/488606337.db2.gz BOEZIAGDWPNKNO-UHFFFAOYSA-N 1 0 360.374 0.966 10 5 FCBERO C[NH+](C)CC(=O)N1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000130009735 488634871 /nfs/dbraw/zinc/63/48/71/488634871.db2.gz PBPUMUUAUWKCEP-UHFFFAOYSA-N 1 0 359.386 0.922 10 5 FCBERO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC000152965690 488724986 /nfs/dbraw/zinc/72/49/86/488724986.db2.gz BGRCBETUZBOLNA-CYBMUJFWSA-N 1 0 366.422 0.185 10 5 FCBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000159856377 488787871 /nfs/dbraw/zinc/78/78/71/488787871.db2.gz LWAXZVKKMNDNRW-HNNXBMFYSA-N 1 0 350.419 0.943 10 5 FCBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000160325810 488790178 /nfs/dbraw/zinc/79/01/78/488790178.db2.gz DFKWTJKLTUEXEE-HNNXBMFYSA-N 1 0 374.401 0.752 10 5 FCBERO Cc1nn(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000160510544 488792200 /nfs/dbraw/zinc/79/22/00/488792200.db2.gz AYZKUDUDYRBECK-AWEZNQCLSA-N 1 0 353.423 0.761 10 5 FCBERO Cc1nn(CCC(=O)N2CCN(CC[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000171099387 488819572 /nfs/dbraw/zinc/81/95/72/488819572.db2.gz NSGZBTCFQVMPSZ-UHFFFAOYSA-N 1 0 352.439 0.504 10 5 FCBERO CNc1cc(N2CCC[C@H]2CNC(=O)Cn2cc([N+](=O)[O-])cn2)ncn1 ZINC000173440150 488842875 /nfs/dbraw/zinc/84/28/75/488842875.db2.gz VINIPFQNDCTKRB-NSHDSACASA-N 1 0 360.378 0.408 10 5 FCBERO O=C1C[C@H](c2ccccc2)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1 ZINC000173612491 488844175 /nfs/dbraw/zinc/84/41/75/488844175.db2.gz UFWSVMGCRSOVGV-JKSUJKDBSA-N 1 0 359.386 0.715 10 5 FCBERO O=c1nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289398531 489064371 /nfs/dbraw/zinc/06/43/71/489064371.db2.gz KTZDJMMPGXXRMZ-DGCLKSJQSA-N 1 0 363.374 0.626 10 5 FCBERO O=C(CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365527714 489084281 /nfs/dbraw/zinc/08/42/81/489084281.db2.gz IJUIHYUSUCGKCV-INIZCTEOSA-N 1 0 361.358 0.597 10 5 FCBERO Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000298224406 489305978 /nfs/dbraw/zinc/30/59/78/489305978.db2.gz KFLJYWFHYNLHPI-CQSZACIVSA-N 1 0 366.418 0.538 10 5 FCBERO C[N@@H+]1CCC[C@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299238139 489422628 /nfs/dbraw/zinc/42/26/28/489422628.db2.gz AOIVMBGNRJIJIV-NSHDSACASA-N 1 0 352.416 0.996 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415753792 489550190 /nfs/dbraw/zinc/55/01/90/489550190.db2.gz GXPQELFEMKEAPI-TXEJJXNPSA-N 1 0 362.386 1.000 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415834078 489557173 /nfs/dbraw/zinc/55/71/73/489557173.db2.gz AGXFPXUDKZEJKW-QLJPJBMISA-N 1 0 350.375 0.985 10 5 FCBERO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416304654 489581816 /nfs/dbraw/zinc/58/18/16/489581816.db2.gz ZLYWGTIGJKFCGO-OLZOCXBDSA-N 1 0 364.402 0.238 10 5 FCBERO C[NH+](C)CC(C)(C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000457198792 489640192 /nfs/dbraw/zinc/64/01/92/489640192.db2.gz BTTWEVKGOPIZKT-UHFFFAOYSA-N 1 0 372.447 0.720 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459639701 489743981 /nfs/dbraw/zinc/74/39/81/489743981.db2.gz DKIOBDRQHSGQHK-MRXNPFEDSA-N 1 0 353.375 0.751 10 5 FCBERO COc1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000418957508 489804877 /nfs/dbraw/zinc/80/48/77/489804877.db2.gz ZXAQUSXCVYZZNZ-BETUJISGSA-N 1 0 362.386 0.573 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1 ZINC000564561522 491313756 /nfs/dbraw/zinc/31/37/56/491313756.db2.gz BVVMNHWBECACJN-GFCCVEGCSA-N 1 0 365.781 0.681 10 5 FCBERO O=C(NCCNc1cc[nH+]cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000533815913 490286185 /nfs/dbraw/zinc/28/61/85/490286185.db2.gz QJNUNVAUFVFZBR-UHFFFAOYSA-N 1 0 353.342 0.834 10 5 FCBERO COc1c[nH+]ccc1N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000483219598 490293850 /nfs/dbraw/zinc/29/38/50/490293850.db2.gz LLGXOYHQGSLTNG-UHFFFAOYSA-N 1 0 359.386 0.982 10 5 FCBERO COc1c[nH+]ccc1N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000483225825 490295588 /nfs/dbraw/zinc/29/55/88/490295588.db2.gz HVLCXFAKVMCOMH-CQSZACIVSA-N 1 0 362.390 0.378 10 5 FCBERO CC(C)[N@H+](C)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000522435066 490377099 /nfs/dbraw/zinc/37/70/99/490377099.db2.gz ATMHIDCKIFWQGU-UHFFFAOYSA-N 1 0 372.447 0.720 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000510657207 490532780 /nfs/dbraw/zinc/53/27/80/490532780.db2.gz ITXLJSMBSZFIOS-CYBMUJFWSA-N 1 0 370.431 0.985 10 5 FCBERO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501058247 490574670 /nfs/dbraw/zinc/57/46/70/490574670.db2.gz IWUODXDSRGPBNM-LLVKDONJSA-N 1 0 356.404 0.676 10 5 FCBERO C[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000540423628 490821315 /nfs/dbraw/zinc/82/13/15/490821315.db2.gz BRRQESPMQRWSJP-NSHDSACASA-N 1 0 353.404 0.957 10 5 FCBERO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000505419631 490829491 /nfs/dbraw/zinc/82/94/91/490829491.db2.gz HUJRLELKKVUQBE-UHFFFAOYSA-N 1 0 356.404 0.085 10 5 FCBERO COCC[NH2+]C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000515856415 490841046 /nfs/dbraw/zinc/84/10/46/490841046.db2.gz SZAAGRKNRYZDMG-UHFFFAOYSA-N 1 0 373.431 0.993 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542912855 490915594 /nfs/dbraw/zinc/91/55/94/490915594.db2.gz WTFCNGXITXBBBC-CQSZACIVSA-N 1 0 360.374 0.069 10 5 FCBERO COc1ccc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000543929759 490951949 /nfs/dbraw/zinc/95/19/49/490951949.db2.gz WYIWMKVYDPUWTO-UHFFFAOYSA-N 1 0 359.342 0.587 10 5 FCBERO Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n(C)n1 ZINC000574445741 491497082 /nfs/dbraw/zinc/49/70/82/491497082.db2.gz FFHCUMWKVNJOGJ-UKRRQHHQSA-N 1 0 363.422 0.453 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576464849 491617150 /nfs/dbraw/zinc/61/71/50/491617150.db2.gz SDIUKVUOBPBCSB-MFKMUULPSA-N 1 0 369.399 0.754 10 5 FCBERO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000588662204 491745735 /nfs/dbraw/zinc/74/57/35/491745735.db2.gz OBTGNNZHLPZHFH-SNVBAGLBSA-N 1 0 360.374 0.298 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590442698 491776775 /nfs/dbraw/zinc/77/67/75/491776775.db2.gz ADZXFORLQOPHFK-HIFRSBDPSA-N 1 0 361.402 0.557 10 5 FCBERO NC(=O)c1ccc(SCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC000582607027 491819738 /nfs/dbraw/zinc/81/97/38/491819738.db2.gz LIFNFSUGYGQMRI-LLVKDONJSA-N 1 0 374.369 0.899 10 5 FCBERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595109764 491884387 /nfs/dbraw/zinc/88/43/87/491884387.db2.gz NLXGVVWJCXAPBA-UKRRQHHQSA-N 1 0 370.431 0.897 10 5 FCBERO [NH3+][C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1F ZINC000595119945 491885374 /nfs/dbraw/zinc/88/53/74/491885374.db2.gz BQZBGCOSRQOJPR-RKDXNWHRSA-N 1 0 361.351 0.426 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595275831 491910522 /nfs/dbraw/zinc/91/05/22/491910522.db2.gz ARFJZKGKNMUODE-VXGBXAGGSA-N 1 0 372.784 0.805 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595276484 491911228 /nfs/dbraw/zinc/91/12/28/491911228.db2.gz NIHAIZAGCHLLFO-UHFFFAOYSA-N 1 0 366.805 0.857 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862813 491957724 /nfs/dbraw/zinc/95/77/24/491957724.db2.gz HCUSEIRCTITRJU-CVEARBPZSA-N 1 0 365.430 0.866 10 5 FCBERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000613078607 491965098 /nfs/dbraw/zinc/96/50/98/491965098.db2.gz VZKSGHOGHVDMDL-OKILXGFUSA-N 1 0 350.423 0.466 10 5 FCBERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000613078483 491965301 /nfs/dbraw/zinc/96/53/01/491965301.db2.gz QDZLTPGTNNBZEM-GASCZTMLSA-N 1 0 364.450 0.856 10 5 FCBERO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000596541512 491989559 /nfs/dbraw/zinc/98/95/59/491989559.db2.gz YOTHQQKIMINTHY-AWEZNQCLSA-N 1 0 370.431 0.278 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597943350 492074033 /nfs/dbraw/zinc/07/40/33/492074033.db2.gz YXFSHBIBHBCROL-ZDUSSCGKSA-N 1 0 354.455 0.915 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000597990294 492076823 /nfs/dbraw/zinc/07/68/23/492076823.db2.gz KYWJPEFSLHBOBE-MRXNPFEDSA-N 1 0 359.386 0.674 10 5 FCBERO COC(=O)c1ccnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598633298 492110474 /nfs/dbraw/zinc/11/04/74/492110474.db2.gz GTOBEYVKTRUIKI-GFCCVEGCSA-N 1 0 350.375 0.812 10 5 FCBERO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599090562 492134630 /nfs/dbraw/zinc/13/46/30/492134630.db2.gz NFQTUTNVFYPGGF-CHWSQXEVSA-N 1 0 372.451 0.355 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n1 ZINC000599097273 492134805 /nfs/dbraw/zinc/13/48/05/492134805.db2.gz ACLTXKHXEGPFTF-NQBHXWOUSA-N 1 0 373.435 0.378 10 5 FCBERO COc1c(F)cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000599104221 492135559 /nfs/dbraw/zinc/13/55/59/492135559.db2.gz QWSXKFWASMASIZ-UHFFFAOYSA-N 1 0 363.367 0.529 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)n1 ZINC000599107148 492135874 /nfs/dbraw/zinc/13/58/74/492135874.db2.gz JTECLNJNRVZYGK-UHFFFAOYSA-N 1 0 353.404 0.520 10 5 FCBERO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000599106555 492136070 /nfs/dbraw/zinc/13/60/70/492136070.db2.gz VKHSXAAQJZQWTA-NXEZZACHSA-N 1 0 357.388 0.785 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000599262286 492150882 /nfs/dbraw/zinc/15/08/82/492150882.db2.gz BQFOBQRHVWKJGB-NTZNESFSSA-N 1 0 373.435 0.201 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000599266809 492151571 /nfs/dbraw/zinc/15/15/71/492151571.db2.gz MIVIEVBCWROCCK-YPMHNXCESA-N 1 0 369.447 0.966 10 5 FCBERO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599265571 492151742 /nfs/dbraw/zinc/15/17/42/492151742.db2.gz FJEYZESRJJHPAL-GFCCVEGCSA-N 1 0 359.452 0.975 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000599542623 492185608 /nfs/dbraw/zinc/18/56/08/492185608.db2.gz COQLWPMFBXMEGR-UKRRQHHQSA-N 1 0 354.407 0.406 10 5 FCBERO Cc1c(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)cccc1[N+](=O)[O-] ZINC000599951459 492221062 /nfs/dbraw/zinc/22/10/62/492221062.db2.gz WOUIHLBOVHLOGJ-UHFFFAOYSA-N 1 0 350.375 0.144 10 5 FCBERO CC1([NH+]2CCOCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000600411041 492268093 /nfs/dbraw/zinc/26/80/93/492268093.db2.gz QRVWJVSGCIMMOQ-UHFFFAOYSA-N 1 0 364.402 0.470 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619873303 492280573 /nfs/dbraw/zinc/28/05/73/492280573.db2.gz BIQIJAICIUCIFD-ZDUSSCGKSA-N 1 0 371.397 0.968 10 5 FCBERO CC[C@H](Cn1cncn1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000550938190 546533042 /nfs/dbraw/zinc/53/30/42/546533042.db2.gz RKKJGMHZRJCILY-GFCCVEGCSA-N 1 0 368.419 0.533 10 5 FCBERO Cc1c(Cl)cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000547278381 546904522 /nfs/dbraw/zinc/90/45/22/546904522.db2.gz HGQFATXUQQBFHC-ZDUSSCGKSA-N 1 0 363.823 0.902 10 5 FCBERO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000591756732 546940140 /nfs/dbraw/zinc/94/01/40/546940140.db2.gz VSFVSJMQKWOCJX-GFCCVEGCSA-N 1 0 350.331 0.550 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000592882877 546960361 /nfs/dbraw/zinc/96/03/61/546960361.db2.gz ZTLGXSHYSNHNLD-SECBINFHSA-N 1 0 353.354 0.508 10 5 FCBERO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCC[NH2+]Cc1cccnc1 ZINC000592983019 546962552 /nfs/dbraw/zinc/96/25/52/546962552.db2.gz NCIQDDSBCKQFAM-UHFFFAOYSA-N 1 0 351.388 0.843 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000593486349 546968794 /nfs/dbraw/zinc/96/87/94/546968794.db2.gz SYJMFUBPBINSAK-UHFFFAOYSA-N 1 0 350.375 0.592 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)nc1 ZINC000593571395 546978610 /nfs/dbraw/zinc/97/86/10/546978610.db2.gz HMXDSQOUBMEGFH-STQMWFEESA-N 1 0 356.404 0.210 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000594025867 546996126 /nfs/dbraw/zinc/99/61/26/546996126.db2.gz UQSJRLXGMGYAGQ-UONOGXRCSA-N 1 0 355.416 0.119 10 5 FCBERO [NH3+]C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000594451066 546998554 /nfs/dbraw/zinc/99/85/54/546998554.db2.gz GAWMBFYEVZLQRM-SNVBAGLBSA-N 1 0 362.264 0.326 10 5 FCBERO CC(C)Oc1nc(N2CCN(CC[NH+](C)C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000594586183 547001214 /nfs/dbraw/zinc/00/12/14/547001214.db2.gz LZJVKBJLEKELSZ-UHFFFAOYSA-N 1 0 351.407 0.987 10 5 FCBERO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594769924 547007456 /nfs/dbraw/zinc/00/74/56/547007456.db2.gz CLYXFKINFYJOFX-LBPRGKRZSA-N 1 0 357.436 0.294 10 5 FCBERO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697324 547352463 /nfs/dbraw/zinc/35/24/63/547352463.db2.gz TZKLSEPBYAVBII-RISCZKNCSA-N 1 0 368.415 0.907 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000844033914 670884849 /nfs/dbraw/zinc/88/48/49/670884849.db2.gz GMALRURAULMCLR-SECBINFHSA-N 1 0 353.354 0.508 10 5 FCBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000844227428 670912117 /nfs/dbraw/zinc/91/21/17/670912117.db2.gz YMJZXEHGTIDSSX-SNVBAGLBSA-N 1 0 362.839 0.820 10 5 FCBERO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854353649 671574823 /nfs/dbraw/zinc/57/48/23/671574823.db2.gz BRLZPQFOJMAJQD-GFCCVEGCSA-N 1 0 352.366 0.619 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2ncnn2CCF)CC1 ZINC001269859034 1187905312 /nfs/dbraw/zinc/90/53/12/1187905312.db2.gz KMYYLGKRPGDETD-ZIAGYGMSSA-N 1 0 368.413 0.631 10 5 FCBERO CN1CC[NH+](C2CCN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)CC2)CC1 ZINC001648957336 1188343638 /nfs/dbraw/zinc/34/36/38/1188343638.db2.gz TZHDEIOCAHKAIG-UHFFFAOYSA-N 1 0 356.814 0.823 10 5 FCBERO COc1ccc(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592873635 1196585720 /nfs/dbraw/zinc/58/57/20/1196585720.db2.gz POCSBTIGDDFWIS-LBPRGKRZSA-N 1 0 364.402 0.724 10 5 FCBERO C[NH+]1CCC2(CC1)CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CCO2 ZINC000592313458 1196586934 /nfs/dbraw/zinc/58/69/34/1196586934.db2.gz NPLOLMWXEVDHMP-UHFFFAOYSA-N 1 0 362.386 0.857 10 5 FCBERO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393849 1196718361 /nfs/dbraw/zinc/71/83/61/1196718361.db2.gz RPWLLDKQSLWSTR-LSDHHAIUSA-N 1 0 357.370 0.672 10 5 FCBERO Cn1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594393784 1196718632 /nfs/dbraw/zinc/71/86/32/1196718632.db2.gz PRYHKPNOPGLXKE-LSDHHAIUSA-N 1 0 371.397 0.886 10 5 FCBERO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391695 1196719539 /nfs/dbraw/zinc/71/95/39/1196719539.db2.gz BYWOXEZJGYPSMG-YNEHKIRRSA-N 1 0 366.422 0.105 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387566 1196719637 /nfs/dbraw/zinc/71/96/37/1196719637.db2.gz UKAZGTMQFRWPFV-UONOGXRCSA-N 1 0 357.370 0.672 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593129495 1196753042 /nfs/dbraw/zinc/75/30/42/1196753042.db2.gz WTXZXGDHFKPHOY-UHFFFAOYSA-N 1 0 365.390 0.841 10 5 FCBERO CN(CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000593234743 1196765026 /nfs/dbraw/zinc/76/50/26/1196765026.db2.gz NPJGOKVVMZLCED-UHFFFAOYSA-N 1 0 363.418 0.263 10 5 FCBERO COc1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cc([N+](=O)[O-])c1C ZINC000593235440 1196765901 /nfs/dbraw/zinc/76/59/01/1196765901.db2.gz QBLKRMNKRMWRFD-UHFFFAOYSA-N 1 0 364.402 0.758 10 5 FCBERO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001169809654 1199094575 /nfs/dbraw/zinc/09/45/75/1199094575.db2.gz BMMCGSACTYKNLO-GJZGRUSLSA-N 1 0 362.430 0.946 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000844042949 1203331263 /nfs/dbraw/zinc/33/12/63/1203331263.db2.gz YEZFWDXAIFBQLE-JTQLQIEISA-N 1 0 365.346 0.695 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000844038450 1203331341 /nfs/dbraw/zinc/33/13/41/1203331341.db2.gz ZHFGLTXNTAPIAL-NSHDSACASA-N 1 0 368.365 0.691 10 5 FCBERO COC(=O)Cc1ccc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000845630200 1204542218 /nfs/dbraw/zinc/54/22/18/1204542218.db2.gz NWJUCUBOKXVDKM-UHFFFAOYSA-N 1 0 364.402 0.521 10 5 FCBERO C[NH+](C)CCN1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1=O ZINC000845630737 1204542229 /nfs/dbraw/zinc/54/22/29/1204542229.db2.gz LOMJLIYSSWEFSI-UHFFFAOYSA-N 1 0 361.402 0.690 10 5 FCBERO C[C@]12C[NH2+]C[C@H]1CN(CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000872152792 1210173972 /nfs/dbraw/zinc/17/39/72/1210173972.db2.gz VIXBZTNLDYWEAV-HNAYVOBHSA-N 1 0 373.457 0.785 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC001118332810 1221762295 /nfs/dbraw/zinc/76/22/95/1221762295.db2.gz IBNBCWDKDPYHEG-UKRRQHHQSA-N 1 0 364.402 0.375 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000830014669 1222456476 /nfs/dbraw/zinc/45/64/76/1222456476.db2.gz YLQUMIMFBDMGNA-JTQLQIEISA-N 1 0 368.365 0.831 10 5 FCBERO O=C(CNC(=O)Cc1cccc(F)c1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC001140743499 1222611401 /nfs/dbraw/zinc/61/14/01/1222611401.db2.gz OBSZGLINOJDFFB-UHFFFAOYSA-N 1 0 366.393 0.995 10 5 FCBERO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1=O ZINC000911476093 1245496455 /nfs/dbraw/zinc/49/64/55/1245496455.db2.gz MMTSDBAVNZLWJD-NSHDSACASA-N 1 0 370.356 0.899 10 5 FCBERO Cc1nn(C)c(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC001338163741 1260576848 /nfs/dbraw/zinc/57/68/48/1260576848.db2.gz MCDDHUYWQBWKJU-OKILXGFUSA-N 1 0 364.450 0.925 10 5 FCBERO CCc1noc(C)c1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281614072 1261124390 /nfs/dbraw/zinc/12/43/90/1261124390.db2.gz UBJHBRVEPRXFNN-IUODEOHRSA-N 1 0 366.418 0.654 10 5 FCBERO O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472079780 1261431336 /nfs/dbraw/zinc/43/13/36/1261431336.db2.gz BEWHAXAENQXJPD-LLVKDONJSA-N 1 0 367.427 0.882 10 5 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CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)C[NH+]1CCCC1 ZINC001581833207 1280581086 /nfs/dbraw/zinc/58/10/86/1280581086.db2.gz QWIALBHOWWRRHJ-HUUCEWRRSA-N 1 0 352.435 0.444 10 5 FCBERO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001603646816 1287456650 /nfs/dbraw/zinc/45/66/50/1287456650.db2.gz OICNFRULOJUPIV-UKRRQHHQSA-N 1 0 364.402 0.332 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001583471015 1282092604 /nfs/dbraw/zinc/09/26/04/1282092604.db2.gz FAHHQLTYCBCHDM-JTQLQIEISA-N 1 0 354.388 0.209 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC001631724715 1282107138 /nfs/dbraw/zinc/10/71/38/1282107138.db2.gz NLYOJWKEZFWRNX-UHFFFAOYSA-N 1 0 369.422 0.832 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001631900150 1282132883 /nfs/dbraw/zinc/13/28/83/1282132883.db2.gz OODFMSUMFFOIOP-CYBMUJFWSA-N 1 0 364.406 0.040 10 5 FCBERO 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O=C(CNC(=O)COc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCC1 ZINC001640691166 1282890900 /nfs/dbraw/zinc/89/09/00/1282890900.db2.gz JQKHLSOMXQTWME-UHFFFAOYSA-N 1 0 364.402 0.692 10 5 FCBERO CC(C)(C)CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724954628 1288456452 /nfs/dbraw/zinc/45/64/52/1288456452.db2.gz QWJJOXOYTDMUHN-CHWSQXEVSA-N 1 0 354.451 0.785 10 5 FCBERO CC(C)NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001725015256 1288458804 /nfs/dbraw/zinc/45/88/04/1288458804.db2.gz SISPDUFNVCJOKH-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCS(=O)(=O)CC1 ZINC001731864927 1288569492 /nfs/dbraw/zinc/56/94/92/1288569492.db2.gz PZVBHIJHRLVNRW-ZIAGYGMSSA-N 1 0 361.464 0.305 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)NCC1CCCCC1 ZINC001733716735 1288626093 /nfs/dbraw/zinc/62/60/93/1288626093.db2.gz ODKMUROZAXEKKM-HUUCEWRRSA-N 1 0 366.462 0.977 10 5 FCBERO CC[N@H+](CCn1cncn1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700339925 1289593431 /nfs/dbraw/zinc/59/34/31/1289593431.db2.gz CYPHDIDWCMRQRZ-HUUCEWRRSA-N 1 0 350.423 0.504 10 5 FCBERO C[NH+](C)C1(C(=O)N2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 ZINC001702055204 1289723803 /nfs/dbraw/zinc/72/38/03/1289723803.db2.gz HAHFBLABFPVTDE-HUUCEWRRSA-N 1 0 364.446 0.801 10 5 FCBERO CC(C)[N@H+](C)CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001702058252 1289724061 /nfs/dbraw/zinc/72/40/61/1289724061.db2.gz UHLJTZGBAVCFBL-HUUCEWRRSA-N 1 0 352.435 0.657 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC001618658738 1289926571 /nfs/dbraw/zinc/92/65/71/1289926571.db2.gz RYVNAISFQBDPFC-KRWDZBQOSA-N 1 0 359.386 0.695 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001618753152 1289935786 /nfs/dbraw/zinc/93/57/86/1289935786.db2.gz NYYKKOZBVMWVGM-QGZVFWFLSA-N 1 0 374.401 0.704 10 5 FCBERO 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O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001628964258 1290565633 /nfs/dbraw/zinc/56/56/33/1290565633.db2.gz GNAMUTXZUMWMAH-HNNXBMFYSA-N 1 0 374.401 0.421 10 5 FCBERO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001628964259 1290566058 /nfs/dbraw/zinc/56/60/58/1290566058.db2.gz GNAMUTXZUMWMAH-OAHLLOKOSA-N 1 0 374.401 0.421 10 5 FCBERO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001629323700 1290591069 /nfs/dbraw/zinc/59/10/69/1290591069.db2.gz XVNBQJZQANZEOE-MRXNPFEDSA-N 1 0 350.419 0.724 10 5 FCBERO CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001643510267 1290901192 /nfs/dbraw/zinc/90/11/92/1290901192.db2.gz CNGKVIGNTMDQMA-LBPRGKRZSA-N 1 0 350.375 0.544 10 5 FCBERO COc1ccc(NC(=O)CN2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001644007072 1290935462 /nfs/dbraw/zinc/93/54/62/1290935462.db2.gz MVPMUNAMJNFQPD-UHFFFAOYSA-N 1 0 366.418 0.930 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)n1 ZINC001644149393 1290943698 /nfs/dbraw/zinc/94/36/98/1290943698.db2.gz DTTIILVPGLOHAP-STQMWFEESA-N 1 0 351.407 0.919 10 5 FCBERO COc1ccccc1C[C@](C)(CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644309223 1290954884 /nfs/dbraw/zinc/95/48/84/1290954884.db2.gz YLRBUGQSYHHDCX-NVXWUHKLSA-N 1 0 364.402 0.744 10 5 FCBERO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001645220034 1291009678 /nfs/dbraw/zinc/00/96/78/1291009678.db2.gz CTTJYMMPNVQDEP-SJCJKPOMSA-N 1 0 361.402 0.975 10 5 FCBERO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC001654030347 1291390206 /nfs/dbraw/zinc/39/02/06/1291390206.db2.gz KHCIZDDVSKNGDM-NSHDSACASA-N 1 0 370.431 0.717 10 5 FCBERO O=C1N[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001654120755 1291395215 /nfs/dbraw/zinc/39/52/15/1291395215.db2.gz ATJKOTWEBASOBM-RWMBFGLXSA-N 1 0 351.359 0.765 10 5 FCBERO CNC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001654781400 1291434818 /nfs/dbraw/zinc/43/48/18/1291434818.db2.gz KMYPYARUSTXSQB-CHWSQXEVSA-N 1 0 352.391 0.728 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC001655125313 1291456560 /nfs/dbraw/zinc/45/65/60/1291456560.db2.gz XWBZYWRCZOYZPK-LRDDRELGSA-N 1 0 353.375 0.750 10 5 FCBERO COC[C@@](C)(CO)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001659755416 1291643148 /nfs/dbraw/zinc/64/31/48/1291643148.db2.gz NJIBQPVENVYFDN-QGZVFWFLSA-N 1 0 366.418 0.230 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(CC(N)=O)C2CCOCC2)c1 ZINC001659982514 1291648404 /nfs/dbraw/zinc/64/84/04/1291648404.db2.gz LGUWEZQIIHZELU-UHFFFAOYSA-N 1 0 351.359 0.848 10 5 FCBERO CC(=O)Nc1nc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001668821741 1291975526 /nfs/dbraw/zinc/97/55/26/1291975526.db2.gz RDSIREFWTFKDLT-JDEDCZITSA-N 1 0 353.404 0.529 10 5 FCBERO CCC(C)(C)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001267837352 859518868 /nfs/dbraw/zinc/51/88/68/859518868.db2.gz GZSKCCDOWJEBDV-CHWSQXEVSA-N 1 0 354.451 0.975 10 5 FCBERO CCN(CC[NH2+]Cc1ccc(S(C)(=O)=O)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450007 859533459 /nfs/dbraw/zinc/53/34/59/859533459.db2.gz MRKBRARDIXFUMQ-HUUCEWRRSA-N 1 0 369.443 0.693 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1cccs1 ZINC001269411315 859548861 /nfs/dbraw/zinc/54/88/61/859548861.db2.gz BWAQWDPOSBUELY-VXGBXAGGSA-N 1 0 352.416 0.268 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001292988053 865766735 /nfs/dbraw/zinc/76/67/35/865766735.db2.gz UVYACYXVUNTRAC-CQSZACIVSA-N 1 0 351.407 0.859 10 5 FCBERO CCCN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001293932590 865813122 /nfs/dbraw/zinc/81/31/22/865813122.db2.gz JWCQIGDSPDRFGA-UHFFFAOYSA-N 1 0 358.420 0.656 10 5 FCBERO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001296256888 865953282 /nfs/dbraw/zinc/95/32/82/865953282.db2.gz BWPJYUXUOIIHKF-SNVBAGLBSA-N 1 0 368.415 0.622 10 5 FCBERO CCC[N@H+](C)CC(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001296887516 865994410 /nfs/dbraw/zinc/99/44/10/865994410.db2.gz ROVGCBWOBFBEBR-HUUCEWRRSA-N 1 0 354.451 0.690 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001302817223 866356600 /nfs/dbraw/zinc/35/66/00/866356600.db2.gz NHTKOMANXJDXPF-HNNXBMFYSA-N 1 0 371.415 0.137 10 5 FCBERO CC(C)(C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)[NH+]1CCCCC1 ZINC001358664414 868242397 /nfs/dbraw/zinc/24/23/97/868242397.db2.gz PXFDHOXZBHIUHY-CHWSQXEVSA-N 1 0 352.435 0.681 10 5 FCBERO COc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001322371905 868799460 /nfs/dbraw/zinc/79/94/60/868799460.db2.gz NGDMJDNMGUSANC-LBPRGKRZSA-N 1 0 350.375 0.430 10 5 FCBERO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC001329476099 872054911 /nfs/dbraw/zinc/05/49/11/872054911.db2.gz HXNFWKGTCKHBJZ-UHFFFAOYSA-N 1 0 369.447 0.390 10 5 FCBERO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000184530849 209162729 /nfs/dbraw/zinc/16/27/29/209162729.db2.gz NVJFEXHEBZPACT-AWEZNQCLSA-N 1 0 357.432 0.861 10 5 FCBERO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+]2CCC1CC2 ZINC000373730076 217051357 /nfs/dbraw/zinc/05/13/57/217051357.db2.gz UUPBBCPEKKHUAZ-UHFFFAOYSA-N 1 0 358.354 0.497 10 5 FCBERO Cn1cc([C@@H]2CNCCN2S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000181692609 209120594 /nfs/dbraw/zinc/12/05/94/209120594.db2.gz DVUPTLRNIVTOFP-HNNXBMFYSA-N 1 0 365.415 0.805 10 5 FCBERO Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000181693095 209119911 /nfs/dbraw/zinc/11/99/11/209119911.db2.gz XAYFMPWIZVOIJR-OAHLLOKOSA-N 1 0 365.415 0.972 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000419326434 246099844 /nfs/dbraw/zinc/09/98/44/246099844.db2.gz CGIWJDCRCVTPSY-RBSFLKMASA-N 1 0 353.419 0.721 10 5 FCBERO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@@H+]1CCO ZINC000419346100 246108733 /nfs/dbraw/zinc/10/87/33/246108733.db2.gz UWEUKNMMXFIXBV-KGLIPLIRSA-N 1 0 362.430 0.871 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423583561 247061720 /nfs/dbraw/zinc/06/17/20/247061720.db2.gz KNXAWBDYIRQEDW-GOEBONIOSA-N 1 0 360.414 0.806 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000234245147 209341882 /nfs/dbraw/zinc/34/18/82/209341882.db2.gz PXSIZKHIVRMKLT-UHFFFAOYSA-N 1 0 358.196 0.620 10 5 FCBERO CS(=O)(=O)N[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000116888680 208337192 /nfs/dbraw/zinc/33/71/92/208337192.db2.gz MOSJWSVBRKDWPO-NSHDSACASA-N 1 0 367.387 0.768 10 5 FCBERO Cc1cc(=O)n(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000128756434 208504724 /nfs/dbraw/zinc/50/47/24/208504724.db2.gz YCPHKISYVFKPIH-CQSZACIVSA-N 1 0 366.418 0.538 10 5 FCBERO NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000301948467 488886153 /nfs/dbraw/zinc/88/61/53/488886153.db2.gz HYGPUCHVODUXTH-HNNXBMFYSA-N 1 0 361.402 0.612 10 5 FCBERO CC[NH+]1CCN(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000070923563 488376117 /nfs/dbraw/zinc/37/61/17/488376117.db2.gz CQHWDFOQNNDLRH-UHFFFAOYSA-N 1 0 361.446 0.881 10 5 FCBERO CCN(CC)C(=O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075675288 488398156 /nfs/dbraw/zinc/39/81/56/488398156.db2.gz HUIQWRYHRXLTEL-HNNXBMFYSA-N 1 0 353.423 0.733 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246931752 488477990 /nfs/dbraw/zinc/47/79/90/488477990.db2.gz AUHOQGRBSOOVKO-DZKIICNBSA-N 1 0 353.419 0.721 10 5 FCBERO COCC[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000252353145 488517846 /nfs/dbraw/zinc/51/78/46/488517846.db2.gz RZVLDXISBJRXTG-GOEBONIOSA-N 1 0 353.419 0.987 10 5 FCBERO C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000111660886 488530655 /nfs/dbraw/zinc/53/06/55/488530655.db2.gz AGZXWFXLMDSGBL-LBPRGKRZSA-N 1 0 350.375 0.957 10 5 FCBERO COc1ccc(CSCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000262057359 488548114 /nfs/dbraw/zinc/54/81/14/488548114.db2.gz AOYYOLAFKDMWNG-DGCLKSJQSA-N 1 0 355.416 0.533 10 5 FCBERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c([N+](=O)[O-])cc1OC(F)F ZINC000262294744 488562138 /nfs/dbraw/zinc/56/21/38/488562138.db2.gz OZGOYTYDOKZRNL-XVKPBYJWSA-N 1 0 361.301 0.515 10 5 FCBERO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262295710 488562142 /nfs/dbraw/zinc/56/21/42/488562142.db2.gz PBMPRKZEUZCFHG-SKDRFNHKSA-N 1 0 358.192 0.596 10 5 FCBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000266803660 488731813 /nfs/dbraw/zinc/73/18/13/488731813.db2.gz DHYZVYQEDDLFGN-LLVKDONJSA-N 1 0 370.431 0.622 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000154356411 488741727 /nfs/dbraw/zinc/74/17/27/488741727.db2.gz BKFRCNVMYQADKS-UHFFFAOYSA-N 1 0 357.432 0.861 10 5 FCBERO CCOCC[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC000162078615 488800716 /nfs/dbraw/zinc/80/07/16/488800716.db2.gz BQUFYBQALTVKEM-AWEZNQCLSA-N 1 0 368.438 0.934 10 5 FCBERO CC[NH+]1CCN(c2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)cn2)CC1 ZINC000162337826 488802154 /nfs/dbraw/zinc/80/21/54/488802154.db2.gz VHIRHPZGNQNWDY-UHFFFAOYSA-N 1 0 373.417 0.795 10 5 FCBERO O=c1nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000288801899 489017569 /nfs/dbraw/zinc/01/75/69/489017569.db2.gz CZCWIEBSPQTHJN-NWDGAFQWSA-N 1 0 363.374 0.626 10 5 FCBERO COCCN1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000364944485 489021033 /nfs/dbraw/zinc/02/10/33/489021033.db2.gz CFTDVLGLGDNCTP-UHFFFAOYSA-N 1 0 350.375 0.374 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427162060 489597073 /nfs/dbraw/zinc/59/70/73/489597073.db2.gz ZDMULIVDCVAVHM-HNNXBMFYSA-N 1 0 351.407 0.895 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000416475631 489598449 /nfs/dbraw/zinc/59/84/49/489598449.db2.gz VDQXAEASRQZXTP-UHFFFAOYSA-N 1 0 359.404 1.000 10 5 FCBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418020301 489676109 /nfs/dbraw/zinc/67/61/09/489676109.db2.gz NBVUNYIUWMKYCR-RISCZKNCSA-N 1 0 370.431 0.666 10 5 FCBERO CN(C)S(=O)(=O)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000377778484 489957562 /nfs/dbraw/zinc/95/75/62/489957562.db2.gz JWPXTXZJTNXGQS-UHFFFAOYSA-N 1 0 356.448 0.951 10 5 FCBERO C[NH+](C)C[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000464927697 490073006 /nfs/dbraw/zinc/07/30/06/490073006.db2.gz SHGLJFGUUANOTJ-OAHLLOKOSA-N 1 0 363.418 0.947 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000509406097 490422739 /nfs/dbraw/zinc/42/27/39/490422739.db2.gz KUYGAMOYRJNINI-UHFFFAOYSA-N 1 0 366.422 0.537 10 5 FCBERO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411374046 490441709 /nfs/dbraw/zinc/44/17/09/490441709.db2.gz BFDPNSDIHBAZHV-ZDUSSCGKSA-N 1 0 356.404 0.676 10 5 FCBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000510659849 490532861 /nfs/dbraw/zinc/53/28/61/490532861.db2.gz QVGJZLBXKUEJRU-LBPRGKRZSA-N 1 0 370.431 0.985 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000510657215 490533057 /nfs/dbraw/zinc/53/30/57/490533057.db2.gz ITXLJSMBSZFIOS-ZDUSSCGKSA-N 1 0 370.431 0.985 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000516186669 490855771 /nfs/dbraw/zinc/85/57/71/490855771.db2.gz TVAWPRQMKGJUOH-ZDUSSCGKSA-N 1 0 353.375 0.369 10 5 FCBERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000566855359 491471142 /nfs/dbraw/zinc/47/11/42/491471142.db2.gz QGROFCZIPZUNLB-ZDUSSCGKSA-N 1 0 370.381 0.369 10 5 FCBERO Cc1ccc(NCCC[NH2+]C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000567689711 491523229 /nfs/dbraw/zinc/52/32/29/491523229.db2.gz PIHRTWZWIOIBLN-OAHLLOKOSA-N 1 0 352.435 0.988 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCCN1CCO ZINC000578132291 491670582 /nfs/dbraw/zinc/67/05/82/491670582.db2.gz WZPWJPATJXWFQQ-CABCVRRESA-N 1 0 353.419 0.771 10 5 FCBERO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588005116 491737287 /nfs/dbraw/zinc/73/72/87/491737287.db2.gz PODMFXUZCNTMAP-HNNXBMFYSA-N 1 0 363.418 0.588 10 5 FCBERO C[N@@H+]1CC[C@](O)(CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000589680476 491764743 /nfs/dbraw/zinc/76/47/43/491764743.db2.gz SZIVLJOSNXQRBV-KRWDZBQOSA-N 1 0 361.402 0.984 10 5 FCBERO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590541701 491778486 /nfs/dbraw/zinc/77/84/86/491778486.db2.gz OBFGQWKCJVDVBH-KRWDZBQOSA-N 1 0 370.413 0.900 10 5 FCBERO NC(=O)c1ccc(SCC(=O)N[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC000582607028 491819823 /nfs/dbraw/zinc/81/98/23/491819823.db2.gz LIFNFSUGYGQMRI-NSHDSACASA-N 1 0 374.369 0.899 10 5 FCBERO COC(=O)c1cnc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591983830 491826594 /nfs/dbraw/zinc/82/65/94/491826594.db2.gz BDMMYFYCRLCHHP-JTQLQIEISA-N 1 0 351.363 0.333 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592081885 491830962 /nfs/dbraw/zinc/83/09/62/491830962.db2.gz CPAMSXPJXBMJHO-GFCCVEGCSA-N 1 0 370.431 0.644 10 5 FCBERO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCC13CC(C1)C[NH2+]3)OCCO2 ZINC000595121274 491885636 /nfs/dbraw/zinc/88/56/36/491885636.db2.gz MOBPBMZVRDFSQX-UHFFFAOYSA-N 1 0 355.372 0.396 10 5 FCBERO COc1ccc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000600713466 491878420 /nfs/dbraw/zinc/87/84/20/491878420.db2.gz JCRFNDLYQWHZHS-UHFFFAOYSA-N 1 0 363.418 0.746 10 5 FCBERO Cc1cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601340781 491905856 /nfs/dbraw/zinc/90/58/56/491905856.db2.gz XDCPASHTRLNQLE-JTQLQIEISA-N 1 0 362.477 0.879 10 5 FCBERO O=[N+]([O-])c1cccnc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595384745 491926297 /nfs/dbraw/zinc/92/62/97/491926297.db2.gz MEJNLOFWUFWDMQ-GFCCVEGCSA-N 1 0 356.404 0.210 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595384992 491926586 /nfs/dbraw/zinc/92/65/86/491926586.db2.gz QVQPYDAPMGFKAS-AWEZNQCLSA-N 1 0 355.416 0.815 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1F ZINC000595948316 491963923 /nfs/dbraw/zinc/96/39/23/491963923.db2.gz QMGMXIDDQYBYDS-NXEZZACHSA-N 1 0 358.757 0.876 10 5 FCBERO [NH3+][C@@H]1CN(C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC[C@H]1F ZINC000595984289 491968582 /nfs/dbraw/zinc/96/85/82/491968582.db2.gz FFCVMMRYGJWGOO-HUUCEWRRSA-N 1 0 364.377 0.984 10 5 FCBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596275941 491982141 /nfs/dbraw/zinc/98/21/41/491982141.db2.gz XANPRYIZJXNSHV-WDEREUQCSA-N 1 0 358.420 0.134 10 5 FCBERO C[NH+](C)CCC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 ZINC000596566206 491991199 /nfs/dbraw/zinc/99/11/99/491991199.db2.gz HEZCFBJUSBZTLY-LBPRGKRZSA-N 1 0 372.447 0.789 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000597989191 492076439 /nfs/dbraw/zinc/07/64/39/492076439.db2.gz CPULTEKHBCWATH-CQSZACIVSA-N 1 0 360.374 0.069 10 5 FCBERO O=[N+]([O-])c1c(NC[C@H](O)C[NH+]2CCCCC2)ncnc1N1CCOCC1 ZINC000598588725 492105946 /nfs/dbraw/zinc/10/59/46/492105946.db2.gz BPIZYHXGEYEUQO-ZDUSSCGKSA-N 1 0 366.422 0.480 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+]2CCC1CC2 ZINC000615883818 492106067 /nfs/dbraw/zinc/10/60/67/492106067.db2.gz GTAGUGHHQOONKS-UHFFFAOYSA-N 1 0 360.370 0.627 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000599101625 492135341 /nfs/dbraw/zinc/13/53/41/492135341.db2.gz MTIYIYDQJWZVCE-YUMQZZPRSA-N 1 0 371.341 0.476 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000599103993 492135457 /nfs/dbraw/zinc/13/54/57/492135457.db2.gz YYPMZOUEVMVECH-YPMHNXCESA-N 1 0 373.435 0.235 10 5 FCBERO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599107311 492135982 /nfs/dbraw/zinc/13/59/82/492135982.db2.gz MFSSFCGGXVNCAB-UHFFFAOYSA-N 1 0 365.383 0.599 10 5 FCBERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599691680 492199859 /nfs/dbraw/zinc/19/98/59/492199859.db2.gz QSMCZGIMRCRQJI-GFCCVEGCSA-N 1 0 358.420 0.018 10 5 FCBERO [NH3+]C1(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOCC1 ZINC000599931010 492218092 /nfs/dbraw/zinc/21/80/92/492218092.db2.gz RFAIMMXRZYIFNB-UHFFFAOYSA-N 1 0 364.406 0.329 10 5 FCBERO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CCCS1(=O)=O ZINC000610615154 492254882 /nfs/dbraw/zinc/25/48/82/492254882.db2.gz QQWIUGGYNPGVMZ-UHFFFAOYSA-N 1 0 370.431 0.891 10 5 FCBERO Cc1nn(C)c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600411715 492268008 /nfs/dbraw/zinc/26/80/08/492268008.db2.gz UWXHYGFDENDHRQ-UHFFFAOYSA-N 1 0 351.407 0.964 10 5 FCBERO C[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CCO2 ZINC000592899364 546960157 /nfs/dbraw/zinc/96/01/57/546960157.db2.gz QAWILYYSNICRBZ-UHFFFAOYSA-N 1 0 351.407 0.850 10 5 FCBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1 ZINC000592879326 546960410 /nfs/dbraw/zinc/96/04/10/546960410.db2.gz KWQVDUNDDBDWNF-LLVKDONJSA-N 1 0 350.375 0.795 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)nc1 ZINC000593571392 546978171 /nfs/dbraw/zinc/97/81/71/546978171.db2.gz HMXDSQOUBMEGFH-CHWSQXEVSA-N 1 0 356.404 0.210 10 5 FCBERO CCO[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593730847 546990651 /nfs/dbraw/zinc/99/06/51/546990651.db2.gz IHHPIWOQCHTHPM-IUODEOHRSA-N 1 0 357.432 0.664 10 5 FCBERO O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393772 546998184 /nfs/dbraw/zinc/99/81/84/546998184.db2.gz PIBFOJQHRBWJNL-QWHCGFSZSA-N 1 0 367.427 0.570 10 5 FCBERO C[C@@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594771506 547008937 /nfs/dbraw/zinc/00/89/37/547008937.db2.gz UUFSNDGCJLBLQH-GFCCVEGCSA-N 1 0 370.431 0.864 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595122417 547016449 /nfs/dbraw/zinc/01/64/49/547016449.db2.gz ZNZJQZDEQJBAEH-UHFFFAOYSA-N 1 0 355.372 0.412 10 5 FCBERO CC1CC[NH+](CC(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000941012825 666573757 /nfs/dbraw/zinc/57/37/57/666573757.db2.gz OTAHLUYBZHZZTC-HUUCEWRRSA-N 1 0 352.435 0.444 10 5 FCBERO CCc1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000917065927 667052148 /nfs/dbraw/zinc/05/21/48/667052148.db2.gz CEDNZVUNSPHQIP-CQSZACIVSA-N 1 0 368.459 0.825 10 5 FCBERO O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000923573841 667850771 /nfs/dbraw/zinc/85/07/71/667850771.db2.gz CAZSGHTVYILPSV-OAHLLOKOSA-N 1 0 354.432 0.799 10 5 FCBERO O=C1OCCN1CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819012833 668970579 /nfs/dbraw/zinc/97/05/79/668970579.db2.gz QHHGRHGCFRLHQG-UHFFFAOYSA-N 1 0 357.388 0.800 10 5 FCBERO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819310503 668996594 /nfs/dbraw/zinc/99/65/94/668996594.db2.gz BNTNAKBDMIMLSX-HIFRSBDPSA-N 1 0 372.447 0.489 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823927401 669366391 /nfs/dbraw/zinc/36/63/91/669366391.db2.gz WCBYJYAOHCMCNR-SNVBAGLBSA-N 1 0 350.379 0.761 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828083285 669615978 /nfs/dbraw/zinc/61/59/78/669615978.db2.gz UYZRXUWPYOLNMI-JTQLQIEISA-N 1 0 374.394 0.474 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000844033915 670885116 /nfs/dbraw/zinc/88/51/16/670885116.db2.gz GMALRURAULMCLR-VIFPVBQESA-N 1 0 353.354 0.508 10 5 FCBERO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000852592912 671514535 /nfs/dbraw/zinc/51/45/35/671514535.db2.gz DBBANHLAVVYEHV-YJNKXOJESA-N 1 0 356.400 0.372 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC000858610193 671768853 /nfs/dbraw/zinc/76/88/53/671768853.db2.gz LWCDHYQDLALQQC-SNVBAGLBSA-N 1 0 351.388 0.970 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000859146048 671796223 /nfs/dbraw/zinc/79/62/23/671796223.db2.gz KDTBPOKXMKOVFG-UHFFFAOYSA-N 1 0 357.436 0.825 10 5 FCBERO C[NH+](C)C[C@@H](CO)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868345861 672394993 /nfs/dbraw/zinc/39/49/93/672394993.db2.gz RYSOGAHOAHWWTR-JTQLQIEISA-N 1 0 360.208 0.939 10 5 FCBERO COCCN(CC1CC[NH+](C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000869766965 672449379 /nfs/dbraw/zinc/44/93/79/672449379.db2.gz DISDEAPHXXFKCF-UHFFFAOYSA-N 1 0 353.423 0.998 10 5 FCBERO CC(C)N(C)C(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001270060645 1187982625 /nfs/dbraw/zinc/98/26/25/1187982625.db2.gz PSVUVNBVTCXFOW-HZPDHXFCSA-N 1 0 362.430 0.924 10 5 FCBERO CN(CC[N@H+](C)CCO)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000912608552 1196354169 /nfs/dbraw/zinc/35/41/69/1196354169.db2.gz TYWMPDYHSUTLKR-UHFFFAOYSA-N 1 0 366.418 0.428 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000592872292 1196585622 /nfs/dbraw/zinc/58/56/22/1196585622.db2.gz LOOIAHTWFRYMSY-JTQLQIEISA-N 1 0 370.356 0.994 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1=O ZINC000593235904 1196765918 /nfs/dbraw/zinc/76/59/18/1196765918.db2.gz YWXUDKFZXGEQTF-UHFFFAOYSA-N 1 0 371.397 0.989 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1=O ZINC000593354663 1196773018 /nfs/dbraw/zinc/77/30/18/1196773018.db2.gz AUPSYPXWHGSBQM-UHFFFAOYSA-N 1 0 363.418 0.553 10 5 FCBERO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594242934 1196877581 /nfs/dbraw/zinc/87/75/81/1196877581.db2.gz WXEWFQDFUKPKNM-NWDGAFQWSA-N 1 0 360.374 0.432 10 5 FCBERO C[C@@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@H]1C[N@H+](C)CCN1C ZINC001136874589 1203294097 /nfs/dbraw/zinc/29/40/97/1203294097.db2.gz QWOAUUNMKDSTEY-TZMCWYRMSA-N 1 0 373.417 0.540 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001175179069 1206301367 /nfs/dbraw/zinc/30/13/67/1206301367.db2.gz ICEPBRQXIPUOBC-GJZGRUSLSA-N 1 0 365.434 0.984 10 5 FCBERO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001186757514 1206504061 /nfs/dbraw/zinc/50/40/61/1206504061.db2.gz XASVRXRDNFTKFT-ZDUSSCGKSA-N 1 0 368.438 0.711 10 5 FCBERO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC001196782792 1208106195 /nfs/dbraw/zinc/10/61/95/1208106195.db2.gz UZEJABXVEAYXTI-AWEZNQCLSA-N 1 0 374.401 0.384 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764117 1209761401 /nfs/dbraw/zinc/76/14/01/1209761401.db2.gz IGVVTUHVXJEPOH-UHFFFAOYSA-N 1 0 372.328 0.457 10 5 FCBERO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863571305 1209945188 /nfs/dbraw/zinc/94/51/88/1209945188.db2.gz VINAHHXNXVYRIG-WMZOPIPTSA-N 1 0 365.430 0.834 10 5 FCBERO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306346 1245364503 /nfs/dbraw/zinc/36/45/03/1245364503.db2.gz PMGOUBBMCYXWJB-HWWQOWPSSA-N 1 0 360.370 0.365 10 5 FCBERO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001331921515 1266306141 /nfs/dbraw/zinc/30/61/41/1266306141.db2.gz WEMSCKMTDYNCMY-QGZVFWFLSA-N 1 0 360.414 0.964 10 5 FCBERO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@H]21 ZINC001332012155 1266314893 /nfs/dbraw/zinc/31/48/93/1266314893.db2.gz JIZYNEHENNEVTK-XJKSGUPXSA-N 1 0 358.398 0.990 10 5 FCBERO CN(C)C(=O)c1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001265843025 1260419062 /nfs/dbraw/zinc/41/90/62/1260419062.db2.gz UBCDIEGWCUFNOC-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO COc1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)ccn1 ZINC001281242692 1261097266 /nfs/dbraw/zinc/09/72/66/1261097266.db2.gz RUQRUGMPFYVJKJ-ZIAGYGMSSA-N 1 0 364.402 0.510 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001472328581 1261459241 /nfs/dbraw/zinc/45/92/41/1261459241.db2.gz NDJPRKAMNJFITE-UHFFFAOYSA-N 1 0 365.434 0.939 10 5 FCBERO C[N@@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC001289519863 1262235535 /nfs/dbraw/zinc/23/55/35/1262235535.db2.gz SMLCMRKRLICXBG-NSHDSACASA-N 1 0 360.370 0.791 10 5 FCBERO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCC[C@H]1O ZINC001290799661 1262508436 /nfs/dbraw/zinc/50/84/36/1262508436.db2.gz TYBUHZWGCRGXJU-HUUCEWRRSA-N 1 0 363.418 0.484 10 5 FCBERO Nc1ncc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001293982002 1262724426 /nfs/dbraw/zinc/72/44/26/1262724426.db2.gz LNFQBHIRRXFFDY-SFHVURJKSA-N 1 0 371.397 0.939 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001293982274 1262724607 /nfs/dbraw/zinc/72/46/07/1262724607.db2.gz PNGIVDHVSDXXDR-GOSISDBHSA-N 1 0 373.413 0.853 10 5 FCBERO COc1cc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC001297880241 1262899402 /nfs/dbraw/zinc/89/94/02/1262899402.db2.gz SGCRPWJNDPOXEG-UHFFFAOYSA-N 1 0 364.402 0.935 10 5 FCBERO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)C2)C1 ZINC001298594552 1262932356 /nfs/dbraw/zinc/93/23/56/1262932356.db2.gz GEUBMSGMWUGABP-INIZCTEOSA-N 1 0 357.374 0.738 10 5 FCBERO C[NH+](C)CCn1nccc1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001302425454 1263047833 /nfs/dbraw/zinc/04/78/33/1263047833.db2.gz QSPVFYVFSSSRLC-KRWDZBQOSA-N 1 0 361.402 0.990 10 5 FCBERO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccn(C)c(=O)c1 ZINC001481350908 1263438666 /nfs/dbraw/zinc/43/86/66/1263438666.db2.gz SDCCVVOLRZFMAD-HUUCEWRRSA-N 1 0 350.419 0.767 10 5 FCBERO CCNC(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001486523862 1263539954 /nfs/dbraw/zinc/53/99/54/1263539954.db2.gz HWOAFWIAMOIIFW-TZMCWYRMSA-N 1 0 352.366 0.333 10 5 FCBERO CC[N@H+](C)C(C)(C)C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001486762098 1263550512 /nfs/dbraw/zinc/55/05/12/1263550512.db2.gz RCMFHYAOSKRBMS-CHWSQXEVSA-N 1 0 356.467 0.983 10 5 FCBERO O=C(NCCCN(C(=O)C12CC[NH+](CC1)C2)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493068968 1263696475 /nfs/dbraw/zinc/69/64/75/1263696475.db2.gz BLFPLRYTAHJTDR-ZIAGYGMSSA-N 1 0 350.419 0.245 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC001497582351 1263941798 /nfs/dbraw/zinc/94/17/98/1263941798.db2.gz CWOJSYVMJVOSJB-LEINQQNWSA-N 1 0 368.340 0.831 10 5 FCBERO C[NH+](C)CCCC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001499772827 1264045470 /nfs/dbraw/zinc/04/54/70/1264045470.db2.gz RAFDPVSJTBPGOH-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO O=C(NCC1([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001501950115 1264157015 /nfs/dbraw/zinc/15/70/15/1264157015.db2.gz DQAGNCSBQWTYPD-CHWSQXEVSA-N 1 0 361.402 0.853 10 5 FCBERO O=C(NC1(CO)CC[NH+](CCc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001505377236 1264269516 /nfs/dbraw/zinc/26/95/16/1264269516.db2.gz RRYMBHNODXCBMV-CHWSQXEVSA-N 1 0 354.432 0.294 10 5 FCBERO Cc1nc(C)c(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001505375657 1264269907 /nfs/dbraw/zinc/26/99/07/1264269907.db2.gz FCHCRQHDRMYPGW-CHWSQXEVSA-N 1 0 352.391 0.400 10 5 FCBERO CCN(CC)C(=O)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001506862503 1264343979 /nfs/dbraw/zinc/34/39/79/1264343979.db2.gz UDRQTWPMSMTJLM-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO O=C(NCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1)C1CC1 ZINC001333182376 1266549056 /nfs/dbraw/zinc/54/90/56/1266549056.db2.gz ZQSTYMDTDHNJKQ-HUUCEWRRSA-N 1 0 364.446 0.539 10 5 FCBERO CC(C)[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCOC2)CC[N@@H+]1C ZINC001526252202 1266794466 /nfs/dbraw/zinc/79/44/66/1266794466.db2.gz GZLOWYICTDPDRS-ZIAGYGMSSA-N 1 0 352.439 0.868 10 5 FCBERO C[NH+](C)Cc1ccsc1C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001535513977 1267298175 /nfs/dbraw/zinc/29/81/75/1267298175.db2.gz BTQXNGZGSZRBED-VXGBXAGGSA-N 1 0 366.443 0.854 10 5 FCBERO O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCN(CCO)CC1 ZINC001540773001 1267463446 /nfs/dbraw/zinc/46/34/46/1267463446.db2.gz VSEXCAITAHSKEV-UHFFFAOYSA-N 1 0 359.386 0.590 10 5 FCBERO C[NH+]1CCC(O)(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC001544660246 1267589355 /nfs/dbraw/zinc/58/93/55/1267589355.db2.gz LAAUGWRVPCLYBS-UHFFFAOYSA-N 1 0 365.386 0.943 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC001545794078 1267622419 /nfs/dbraw/zinc/62/24/19/1267622419.db2.gz UGVLFCPUPHDJIU-UONOGXRCSA-N 1 0 364.450 0.909 10 5 FCBERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001546226173 1267640872 /nfs/dbraw/zinc/64/08/72/1267640872.db2.gz HDJPNYVWINCQJM-VIFPVBQESA-N 1 0 372.813 0.644 10 5 FCBERO O=C(C[NH+]1CCC(CO)CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001556472240 1268857358 /nfs/dbraw/zinc/85/73/58/1268857358.db2.gz FQECFAJTHAOJFJ-UHFFFAOYSA-N 1 0 351.407 0.659 10 5 FCBERO CCC1([NH2+]CC(=O)NCC2CCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570255171 1269856041 /nfs/dbraw/zinc/85/60/41/1269856041.db2.gz SXLAZSPFDCFKDZ-HUUCEWRRSA-N 1 0 366.462 0.929 10 5 FCBERO CC[N@H+](C)C(C)(C)C(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001572038993 1269989541 /nfs/dbraw/zinc/98/95/41/1269989541.db2.gz LBXCREYRGZYVIR-ZIAGYGMSSA-N 1 0 366.462 0.833 10 5 FCBERO C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCC1 ZINC001573141400 1270615480 /nfs/dbraw/zinc/61/54/80/1270615480.db2.gz XIQGOMYYCZOUHG-LXTVHRRPSA-N 1 0 366.462 0.927 10 5 FCBERO CC(C)CN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CC1 ZINC001713985457 1287308740 /nfs/dbraw/zinc/30/87/40/1287308740.db2.gz PIVPTGXPDPPJRH-AYRXBEOTSA-N 1 0 352.435 0.535 10 5 FCBERO CN(CCN1CC[NH+](CC2CCOCC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714888019 1287337853 /nfs/dbraw/zinc/33/78/53/1287337853.db2.gz YJXSHARUKJXSIW-HZPDHXFCSA-N 1 0 354.451 0.154 10 5 FCBERO Cc1noc(CCC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 ZINC001715300878 1287349087 /nfs/dbraw/zinc/34/90/87/1287349087.db2.gz UMIBUAFBJZBFFG-CHWSQXEVSA-N 1 0 351.407 0.994 10 5 FCBERO CC(C)NC(=O)NCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001717128380 1287407498 /nfs/dbraw/zinc/40/74/98/1287407498.db2.gz YGCFXZAWQMKOEY-ZIAGYGMSSA-N 1 0 367.450 0.284 10 5 FCBERO CC1([NH2+]CC(=O)Nc2nccs2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717297460 1287417255 /nfs/dbraw/zinc/41/72/55/1287417255.db2.gz VMHXRUQNMXAQFR-GHMZBOCLSA-N 1 0 367.431 0.718 10 5 FCBERO CCc1nc(C)c(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001717319114 1287418538 /nfs/dbraw/zinc/41/85/38/1287418538.db2.gz VUTVELNPWYUARF-CHWSQXEVSA-N 1 0 366.418 0.654 10 5 FCBERO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001583251336 1282080095 /nfs/dbraw/zinc/08/00/95/1282080095.db2.gz LZFCPOPXLFTEAN-INIZCTEOSA-N 1 0 352.391 0.717 10 5 FCBERO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001583251337 1282080198 /nfs/dbraw/zinc/08/01/98/1282080198.db2.gz LZFCPOPXLFTEAN-MRXNPFEDSA-N 1 0 352.391 0.717 10 5 FCBERO C[C@H](CN1CCOCC1)C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001587297511 1282345769 /nfs/dbraw/zinc/34/57/69/1282345769.db2.gz XFGYCXLEKJKWEP-DYVFJYSZSA-N 1 0 351.403 0.887 10 5 FCBERO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC001636711943 1282531310 /nfs/dbraw/zinc/53/13/10/1282531310.db2.gz ZBVPKNGLDNDFSY-AWEZNQCLSA-N 1 0 363.418 0.516 10 5 FCBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC001639827098 1282819067 /nfs/dbraw/zinc/81/90/67/1282819067.db2.gz FVNAQEFYODGKLH-UHFFFAOYSA-N 1 0 363.374 0.883 10 5 FCBERO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001641150830 1282927338 /nfs/dbraw/zinc/92/73/38/1282927338.db2.gz AOQJPLXGBCNDNR-UHFFFAOYSA-N 1 0 371.825 0.922 10 5 FCBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccccc1C[NH+](C)C ZINC001704276486 1286209850 /nfs/dbraw/zinc/20/98/50/1286209850.db2.gz VARICSZVRYBBBJ-HZPDHXFCSA-N 1 0 362.430 0.992 10 5 FCBERO O=C(NC/C=C\CNC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001705036235 1286338349 /nfs/dbraw/zinc/33/83/49/1286338349.db2.gz UWYFIFWWTJBDQL-AYYPDYFKSA-N 1 0 364.446 0.562 10 5 FCBERO O=C(NCC1([NH2+]CCn2cnc3ccccc3c2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001723514398 1288425006 /nfs/dbraw/zinc/42/50/06/1288425006.db2.gz GGMVBOBLKNFEIU-UKRRQHHQSA-N 1 0 371.397 0.300 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1cc(F)ccc1F ZINC001731444084 1288557266 /nfs/dbraw/zinc/55/72/66/1288557266.db2.gz HKVGRUQXYTWHRV-ZHSDAYTOSA-N 1 0 368.340 0.805 10 5 FCBERO CN(CC[NH2+]CCn1cnc2ccccc2c1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731908041 1288570529 /nfs/dbraw/zinc/57/05/29/1288570529.db2.gz BNPSAMXFUGTGCO-UKRRQHHQSA-N 1 0 359.386 0.110 10 5 FCBERO CCc1noc(C)c1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001733829568 1288632558 /nfs/dbraw/zinc/63/25/58/1288632558.db2.gz YVFMHQSTGFLZGT-IUODEOHRSA-N 1 0 366.418 0.966 10 5 FCBERO Cc1nc(C)c(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001733913399 1288635513 /nfs/dbraw/zinc/63/55/13/1288635513.db2.gz QBGNNRMECCBGCJ-CHWSQXEVSA-N 1 0 368.459 0.868 10 5 FCBERO CC[N@H+](CCN1CCCC1=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733918235 1288636401 /nfs/dbraw/zinc/63/64/01/1288636401.db2.gz LYUBHGHTDGRXJV-HZPDHXFCSA-N 1 0 366.462 0.835 10 5 FCBERO CCN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C(C)(C)[NH+]1CCCC1 ZINC001737258489 1289520888 /nfs/dbraw/zinc/52/08/88/1289520888.db2.gz CEZFCRVOGYWHPB-ZIAGYGMSSA-N 1 0 354.451 0.881 10 5 FCBERO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001737726611 1289575661 /nfs/dbraw/zinc/57/56/61/1289575661.db2.gz WYFQDGSADAFPOH-HUUCEWRRSA-N 1 0 352.435 0.348 10 5 FCBERO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001737725744 1289576450 /nfs/dbraw/zinc/57/64/50/1289576450.db2.gz BBJKPGBJGWKIAF-HZPDHXFCSA-N 1 0 362.430 0.644 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC001617651040 1289853722 /nfs/dbraw/zinc/85/37/22/1289853722.db2.gz UQFKLGJYYDUBFF-DRZSPHRISA-N 1 0 360.370 0.959 10 5 FCBERO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001618485011 1289912225 /nfs/dbraw/zinc/91/22/25/1289912225.db2.gz NIJATHPDYPQFTH-CXAGYDPISA-N 1 0 363.418 0.849 10 5 FCBERO C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620412785 1289988317 /nfs/dbraw/zinc/98/83/17/1289988317.db2.gz BEJIEBBRSYXFPY-ZDUSSCGKSA-N 1 0 357.411 0.999 10 5 FCBERO COc1cccc2c1CC[C@@]2(CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620538242 1289997002 /nfs/dbraw/zinc/99/70/02/1289997002.db2.gz RXZLPSCEVANOAH-GUYCJALGSA-N 1 0 362.386 0.584 10 5 FCBERO COc1ccc(OCC[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001620633880 1290011613 /nfs/dbraw/zinc/01/16/13/1290011613.db2.gz BYOHYABRZPKPSA-LLVKDONJSA-N 1 0 359.404 0.593 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001624697570 1290289811 /nfs/dbraw/zinc/28/98/11/1290289811.db2.gz RHXCKZAHMQIIHN-UHFFFAOYSA-N 1 0 373.417 0.563 10 5 FCBERO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[C@@H]3CCNC3=O)c2)CC1 ZINC001626851045 1290421347 /nfs/dbraw/zinc/42/13/47/1290421347.db2.gz XVHHQVSDDRNMNB-LBPRGKRZSA-N 1 0 361.402 0.811 10 5 FCBERO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1C[N@H+](C)CCN1C ZINC001628390696 1290531055 /nfs/dbraw/zinc/53/10/55/1290531055.db2.gz XUIBHJQKPGUZQO-MLGOLLRUSA-N 1 0 373.417 0.540 10 5 FCBERO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001629323699 1290591597 /nfs/dbraw/zinc/59/15/97/1290591597.db2.gz XVNBQJZQANZEOE-INIZCTEOSA-N 1 0 350.419 0.724 10 5 FCBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001643208861 1290861226 /nfs/dbraw/zinc/86/12/26/1290861226.db2.gz SRQMEWXWPQJEGI-HNNXBMFYSA-N 1 0 352.347 0.950 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC001644123652 1290941002 /nfs/dbraw/zinc/94/10/02/1290941002.db2.gz LAPFFADRYPPEQG-CQSZACIVSA-N 1 0 351.388 0.738 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001644124620 1290941152 /nfs/dbraw/zinc/94/11/52/1290941152.db2.gz XMHQYZMOXIAAJA-INIZCTEOSA-N 1 0 368.365 0.831 10 5 FCBERO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001645220035 1291009165 /nfs/dbraw/zinc/00/91/65/1291009165.db2.gz CTTJYMMPNVQDEP-SJKOYZFVSA-N 1 0 361.402 0.975 10 5 FCBERO CS(=O)(=O)NC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001648250663 1291115234 /nfs/dbraw/zinc/11/52/34/1291115234.db2.gz WCCCIDZGPMPLKQ-GFCCVEGCSA-N 1 0 370.431 0.795 10 5 FCBERO COCC[N@H+](C)CCN1C[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)CC1=O ZINC001651161018 1291199380 /nfs/dbraw/zinc/19/93/80/1291199380.db2.gz NILMPCNKXAQKRQ-GFCCVEGCSA-N 1 0 354.411 0.228 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001652655948 1291289518 /nfs/dbraw/zinc/28/95/18/1291289518.db2.gz VOWKVGKBMCAAGV-HNNXBMFYSA-N 1 0 350.379 0.410 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001653333260 1291336919 /nfs/dbraw/zinc/33/69/19/1291336919.db2.gz MPKBPQOTFFKCKI-QWHCGFSZSA-N 1 0 351.407 0.942 10 5 FCBERO C[C@@](CO)(Cc1ccccc1F)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654936561 1291445797 /nfs/dbraw/zinc/44/57/97/1291445797.db2.gz WADVUURURHGSBR-ZBFHGGJFSA-N 1 0 352.366 0.875 10 5 FCBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001660481576 1291660481 /nfs/dbraw/zinc/66/04/81/1291660481.db2.gz VTYXCRHZMDEUEN-CALCHBBNSA-N 1 0 351.403 0.604 10 5 FCBERO CS(=O)(=O)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001666333647 1291910237 /nfs/dbraw/zinc/91/02/37/1291910237.db2.gz ZUSQSYCGDTUMFP-ZIAGYGMSSA-N 1 0 355.416 0.102 10 5 FCBERO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001136649922 849231789 /nfs/dbraw/zinc/23/17/89/849231789.db2.gz JMSQWBVIMHBSNS-UHFFFAOYSA-N 1 0 350.423 0.670 10 5 FCBERO CC[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001136666755 849234253 /nfs/dbraw/zinc/23/42/53/849234253.db2.gz CCFQPDJTYXOEJQ-UHFFFAOYSA-N 1 0 370.431 0.427 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001144579436 849526929 /nfs/dbraw/zinc/52/69/29/849526929.db2.gz LUZSNSCOAGPZJU-UHFFFAOYSA-N 1 0 372.813 0.598 10 5 FCBERO COc1ccc(NC(=O)CCN2CC[N@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001174715209 850743927 /nfs/dbraw/zinc/74/39/27/850743927.db2.gz HWUOGPXFJSOQQX-LBPRGKRZSA-N 1 0 352.391 0.540 10 5 FCBERO CCO[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001177354350 850842725 /nfs/dbraw/zinc/84/27/25/850842725.db2.gz NYGPFYPOIPYDKE-AWEZNQCLSA-N 1 0 352.391 0.408 10 5 FCBERO Nc1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc(F)cc1[N+](=O)[O-] ZINC001180054131 851009654 /nfs/dbraw/zinc/00/96/54/851009654.db2.gz LFZVSTFAOCMDRQ-STQMWFEESA-N 1 0 352.366 0.987 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC001196284406 852931131 /nfs/dbraw/zinc/93/11/31/852931131.db2.gz BLPWXHGOBOGPBS-MLGOLLRUSA-N 1 0 353.375 0.750 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC001197431005 853113599 /nfs/dbraw/zinc/11/35/99/853113599.db2.gz AELVBKVKBZWQGU-GOEBONIOSA-N 1 0 353.423 0.385 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC001261791605 858665257 /nfs/dbraw/zinc/66/52/57/858665257.db2.gz WJFOTQUTMBHQBX-AAEUAGOBSA-N 1 0 373.435 0.235 10 5 FCBERO Cc1csc(=O)n1CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001268036440 859522340 /nfs/dbraw/zinc/52/23/40/859522340.db2.gz VKGQDIPRJXFBFZ-CHWSQXEVSA-N 1 0 368.459 0.902 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1cccc2nsnc21 ZINC001272162788 860103619 /nfs/dbraw/zinc/10/36/19/860103619.db2.gz VELICWNTVOSYLN-DGCLKSJQSA-N 1 0 365.415 0.267 10 5 FCBERO C[NH+](C)C1CCN(CCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001294377167 865831882 /nfs/dbraw/zinc/83/18/82/865831882.db2.gz STGOWMSODHKXSC-MRXNPFEDSA-N 1 0 350.419 0.770 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)n1 ZINC001328798171 871631497 /nfs/dbraw/zinc/63/14/97/871631497.db2.gz CIVIGFNDLHQADO-GVXVVHGQSA-N 1 0 373.435 0.235 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001329737375 872219469 /nfs/dbraw/zinc/21/94/69/872219469.db2.gz ZUEVGOWMWSKLJE-LBPRGKRZSA-N 1 0 350.375 0.430 10 5 FCBERO O=C1NC(=O)[C@@]2(CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003663 212505354 /nfs/dbraw/zinc/50/53/54/212505354.db2.gz DCNFRXCARYJBHW-ZBEGNZNMSA-N 1 0 364.358 0.009 10 5 FCBERO Cc1c(F)cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000188206929 209225836 /nfs/dbraw/zinc/22/58/36/209225836.db2.gz KNHQLBLDKZPMJE-UHFFFAOYSA-N 1 0 360.411 0.568 10 5 FCBERO Cc1cc(S(=O)(=O)N2CCNC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000181701745 209120151 /nfs/dbraw/zinc/12/01/51/209120151.db2.gz GFEXSTPJSSFKLX-HNNXBMFYSA-N 1 0 365.415 0.972 10 5 FCBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000419346099 246108952 /nfs/dbraw/zinc/10/89/52/246108952.db2.gz UWEUKNMMXFIXBV-KBPBESRZSA-N 1 0 362.430 0.871 10 5 FCBERO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423306583 247000716 /nfs/dbraw/zinc/00/07/16/247000716.db2.gz LYKSKGYALLPNMQ-BBRMVZONSA-N 1 0 358.398 0.690 10 5 FCBERO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000423579546 247059388 /nfs/dbraw/zinc/05/93/88/247059388.db2.gz ORDRKUNFFFBJHB-MLGOLLRUSA-N 1 0 374.397 0.395 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271143183 211343521 /nfs/dbraw/zinc/34/35/21/211343521.db2.gz PGIXJDVCARYPNJ-CQSZACIVSA-N 1 0 364.402 0.240 10 5 FCBERO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000270587166 211228515 /nfs/dbraw/zinc/22/85/15/211228515.db2.gz DOFFSCRDACGWPW-JTQLQIEISA-N 1 0 351.363 0.675 10 5 FCBERO CS(=O)(=O)N[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000116887508 208336656 /nfs/dbraw/zinc/33/66/56/208336656.db2.gz MCZWJKIKUWZIBI-LLVKDONJSA-N 1 0 367.387 0.768 10 5 FCBERO CCNC(=O)CN1CCCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000301058551 488875974 /nfs/dbraw/zinc/87/59/74/488875974.db2.gz ATUMIVAQVSRBDR-UHFFFAOYSA-N 1 0 374.401 0.251 10 5 FCBERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2cccnc2[N+](=O)[O-])C1 ZINC000027267837 487691971 /nfs/dbraw/zinc/69/19/71/487691971.db2.gz ONACVJPENQVOIG-CYBMUJFWSA-N 1 0 352.391 0.842 10 5 FCBERO NS(=O)(=O)c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131341 488159112 /nfs/dbraw/zinc/15/91/12/488159112.db2.gz NJPHDQIYCKWZRX-LLVKDONJSA-N 1 0 358.420 0.501 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246931803 488477971 /nfs/dbraw/zinc/47/79/71/488477971.db2.gz AUHOQGRBSOOVKO-OFQRWUPVSA-N 1 0 353.419 0.721 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269848682 488513409 /nfs/dbraw/zinc/51/34/09/488513409.db2.gz ZJMCHHLGMAKHSD-UHFFFAOYSA-N 1 0 359.404 0.338 10 5 FCBERO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000110651760 488526661 /nfs/dbraw/zinc/52/66/61/488526661.db2.gz VOZJYYGTZRZIOQ-NEPJUHHUSA-N 1 0 350.375 0.860 10 5 FCBERO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cn2)CC1 ZINC000125869181 488604423 /nfs/dbraw/zinc/60/44/23/488604423.db2.gz UQJUXGBLFZMFAR-UHFFFAOYSA-N 1 0 373.417 0.645 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000136133268 488676487 /nfs/dbraw/zinc/67/64/87/488676487.db2.gz PWTVDFXTXKQEEV-WFASDCNBSA-N 1 0 361.406 0.958 10 5 FCBERO CC[NH+]1CCN(c2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cn2)CC1 ZINC000136267058 488676972 /nfs/dbraw/zinc/67/69/72/488676972.db2.gz KEKPNQDVDVPYOD-UHFFFAOYSA-N 1 0 359.390 0.785 10 5 FCBERO Cc1nn(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000160510666 488792188 /nfs/dbraw/zinc/79/21/88/488792188.db2.gz AYZKUDUDYRBECK-CQSZACIVSA-N 1 0 353.423 0.761 10 5 FCBERO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000176002780 488857091 /nfs/dbraw/zinc/85/70/91/488857091.db2.gz UQMZVZNXKVQIKY-ZDUSSCGKSA-N 1 0 363.418 0.938 10 5 FCBERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000176232848 488857794 /nfs/dbraw/zinc/85/77/94/488857794.db2.gz CUVYVPZYZULJGR-INIZCTEOSA-N 1 0 366.466 0.518 10 5 FCBERO COCC[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000182234381 488864372 /nfs/dbraw/zinc/86/43/72/488864372.db2.gz IPKJOXRTHIIGIH-CABCVRRESA-N 1 0 353.419 0.987 10 5 FCBERO C[N@@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000299616702 489462613 /nfs/dbraw/zinc/46/26/13/489462613.db2.gz ZALFQKVNTVXYNX-ZDUSSCGKSA-N 1 0 356.404 0.084 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000416407277 489590168 /nfs/dbraw/zinc/59/01/68/489590168.db2.gz JIUAFOFSILWMRQ-JTQLQIEISA-N 1 0 359.404 1.000 10 5 FCBERO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000427092530 489593957 /nfs/dbraw/zinc/59/39/57/489593957.db2.gz KFUYDISRTMUHHW-QWHCGFSZSA-N 1 0 352.395 0.070 10 5 FCBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459638007 489743450 /nfs/dbraw/zinc/74/34/50/489743450.db2.gz SSMIKSOHKNERPM-INIZCTEOSA-N 1 0 351.359 0.712 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000378243446 490032872 /nfs/dbraw/zinc/03/28/72/490032872.db2.gz MZGHKWBRYKWBAW-GJZGRUSLSA-N 1 0 355.416 0.877 10 5 FCBERO CN(CC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000480084937 490159247 /nfs/dbraw/zinc/15/92/47/490159247.db2.gz RLNBAHVHUYAGRE-UHFFFAOYSA-N 1 0 358.420 0.283 10 5 FCBERO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000521116264 490226546 /nfs/dbraw/zinc/22/65/46/490226546.db2.gz VOZJYYGTZRZIOQ-VXGBXAGGSA-N 1 0 350.375 0.860 10 5 FCBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000509195332 490401066 /nfs/dbraw/zinc/40/10/66/490401066.db2.gz KDDOKENBBFXNLG-OAHLLOKOSA-N 1 0 364.402 0.973 10 5 FCBERO COC(=O)c1cc(C)nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450797884 490490323 /nfs/dbraw/zinc/49/03/23/490490323.db2.gz XXLBTGBYRWUBJH-TXEJJXNPSA-N 1 0 350.375 1.360 10 5 FCBERO CCOC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC12COC2 ZINC000451139577 490519897 /nfs/dbraw/zinc/51/98/97/490519897.db2.gz SCKOXHBNWBXDPD-CYBMUJFWSA-N 1 0 351.359 0.268 10 5 FCBERO C[NH+]1CCC(Oc2ccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000501438210 490604516 /nfs/dbraw/zinc/60/45/16/490604516.db2.gz ZCSKAZFLBRCEEF-UHFFFAOYSA-N 1 0 374.401 0.976 10 5 FCBERO CC[NH+]1CCN(c2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])cn2)CC1 ZINC000536802135 490615947 /nfs/dbraw/zinc/61/59/47/490615947.db2.gz YLCBSUIEQIYACU-UHFFFAOYSA-N 1 0 373.417 0.795 10 5 FCBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000487091265 490692216 /nfs/dbraw/zinc/69/22/16/490692216.db2.gz HOKUVVMWEUELRV-IUODEOHRSA-N 1 0 362.434 0.551 10 5 FCBERO COC1CC[NH+](C2(CNC(=O)Cn3cnc([N+](=O)[O-])n3)CCCC2)CC1 ZINC000502514822 490707703 /nfs/dbraw/zinc/70/77/03/490707703.db2.gz WPVWLXLDYXYXOD-UHFFFAOYSA-N 1 0 366.422 0.726 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000596360171 491984761 /nfs/dbraw/zinc/98/47/61/491984761.db2.gz ICKGEHUCGPZTMQ-LBPRGKRZSA-N 1 0 373.479 0.926 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000562646606 491177816 /nfs/dbraw/zinc/17/78/16/491177816.db2.gz DUPZCYZCEXIFPV-UPJWGTAASA-N 1 0 350.423 0.895 10 5 FCBERO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000566562841 491453721 /nfs/dbraw/zinc/45/37/21/491453721.db2.gz ZYYPNEGNBXBQBB-LBPRGKRZSA-N 1 0 357.374 0.532 10 5 FCBERO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)n1 ZINC000574254947 491484121 /nfs/dbraw/zinc/48/41/21/491484121.db2.gz ZCRAXSNAENLLKR-LSDHHAIUSA-N 1 0 354.407 0.985 10 5 FCBERO C[C@H]1CC[N@H+](CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000574290246 491487076 /nfs/dbraw/zinc/48/70/76/491487076.db2.gz PYWDYUYEAGIGJT-LBPRGKRZSA-N 1 0 370.431 0.331 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCCN1CCO ZINC000578132292 491670617 /nfs/dbraw/zinc/67/06/17/491670617.db2.gz WZPWJPATJXWFQQ-GJZGRUSLSA-N 1 0 353.419 0.771 10 5 FCBERO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588001074 491736886 /nfs/dbraw/zinc/73/68/86/491736886.db2.gz LCSSMKAQOZEZCS-HNNXBMFYSA-N 1 0 363.418 0.412 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000580951768 491753006 /nfs/dbraw/zinc/75/30/06/491753006.db2.gz MISOZLBMPUBDQH-UHFFFAOYSA-N 1 0 357.388 0.754 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590354958 491774134 /nfs/dbraw/zinc/77/41/34/491774134.db2.gz FJTYTRGSIFSNFY-MRXNPFEDSA-N 1 0 370.413 0.900 10 5 FCBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000590443465 491776608 /nfs/dbraw/zinc/77/66/08/491776608.db2.gz IWVOHQXRJOPTIY-AAEUAGOBSA-N 1 0 368.415 0.036 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590442901 491776644 /nfs/dbraw/zinc/77/66/44/491776644.db2.gz HZBWCXPRYVIEKN-AVGNSLFASA-N 1 0 350.423 0.990 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000591263326 491800563 /nfs/dbraw/zinc/80/05/63/491800563.db2.gz SVPHNJRUVLOOCC-AWEZNQCLSA-N 1 0 365.386 0.918 10 5 FCBERO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cnn3c2CCC3)c1 ZINC000594917726 491872070 /nfs/dbraw/zinc/87/20/70/491872070.db2.gz MQZXTVAPFDUTIR-UHFFFAOYSA-N 1 0 365.415 0.806 10 5 FCBERO CCC1([NH+]2CCOCC2)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000600681656 491875340 /nfs/dbraw/zinc/87/53/40/491875340.db2.gz FKMPGIWOSGBNMQ-UHFFFAOYSA-N 1 0 352.395 0.290 10 5 FCBERO [NH3+]CC12CC(C1)CN2C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595274188 491910150 /nfs/dbraw/zinc/91/01/50/491910150.db2.gz SSAAOWKJGRRDCU-UHFFFAOYSA-N 1 0 368.415 0.501 10 5 FCBERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595663465 491946817 /nfs/dbraw/zinc/94/68/17/491946817.db2.gz OILVNDTWTRXMSZ-SWLSCSKDSA-N 1 0 367.358 0.852 10 5 FCBERO [NH3+]C1(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000595929538 491962152 /nfs/dbraw/zinc/96/21/52/491962152.db2.gz LSAQZWUBYLLISJ-UHFFFAOYSA-N 1 0 368.415 0.309 10 5 FCBERO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000596097855 491975525 /nfs/dbraw/zinc/97/55/25/491975525.db2.gz HVFQMJMRPHAMNF-UHFFFAOYSA-N 1 0 368.777 0.179 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCO1 ZINC000596564081 491991361 /nfs/dbraw/zinc/99/13/61/491991361.db2.gz BPMPIPGNTPTHQW-CYBMUJFWSA-N 1 0 372.447 0.789 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597575262 492048651 /nfs/dbraw/zinc/04/86/51/492048651.db2.gz WAQIBKXBYOKIDC-MRXNPFEDSA-N 1 0 351.359 0.852 10 5 FCBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000597626407 492052565 /nfs/dbraw/zinc/05/25/65/492052565.db2.gz UBJSEPOCCYURJX-LBPRGKRZSA-N 1 0 354.357 0.922 10 5 FCBERO CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598531624 492103289 /nfs/dbraw/zinc/10/32/89/492103289.db2.gz MXMLWYWONOZIAQ-NWDGAFQWSA-N 1 0 370.431 0.472 10 5 FCBERO CC[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C[C@H](C)[NH2+]1 ZINC000598530987 492103514 /nfs/dbraw/zinc/10/35/14/492103514.db2.gz CIZPVSKUSSCMMW-GXSJLCMTSA-N 1 0 370.431 0.763 10 5 FCBERO COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599087393 492134625 /nfs/dbraw/zinc/13/46/25/492134625.db2.gz AZANSXRSINZDFE-CHWSQXEVSA-N 1 0 367.406 0.934 10 5 FCBERO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H]1CC[NH2+]C13CCC3)OCCO2 ZINC000599108854 492136377 /nfs/dbraw/zinc/13/63/77/492136377.db2.gz YBJXIFGMMKCYNE-AWEZNQCLSA-N 1 0 369.399 0.929 10 5 FCBERO Cc1c(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000616788765 492143541 /nfs/dbraw/zinc/14/35/41/492143541.db2.gz JQLVDIKTZWCTTE-UHFFFAOYSA-N 1 0 374.401 0.916 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000599350085 492163471 /nfs/dbraw/zinc/16/34/71/492163471.db2.gz SKIGKCTZJMDGHA-LLVKDONJSA-N 1 0 361.424 0.060 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599893867 492215008 /nfs/dbraw/zinc/21/50/08/492215008.db2.gz JBYFORCKYZVCKF-UHFFFAOYSA-N 1 0 354.363 0.236 10 5 FCBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000599900990 492216346 /nfs/dbraw/zinc/21/63/46/492216346.db2.gz WJVRPOJBTMZANH-UHFFFAOYSA-N 1 0 350.375 0.720 10 5 FCBERO C[C@@H]1CC[C@@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599916789 492217368 /nfs/dbraw/zinc/21/73/68/492217368.db2.gz DNDYTKGYPNXRGP-VXGBXAGGSA-N 1 0 370.431 0.808 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000610049517 492232219 /nfs/dbraw/zinc/23/22/19/492232219.db2.gz XRDAVFVNLRUBCV-UHFFFAOYSA-N 1 0 374.405 0.305 10 5 FCBERO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610426163 492245058 /nfs/dbraw/zinc/24/50/58/492245058.db2.gz BNABBPKOQKRCSW-SNVBAGLBSA-N 1 0 356.404 0.375 10 5 FCBERO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000610560188 492251732 /nfs/dbraw/zinc/25/17/32/492251732.db2.gz VUFLHCAQXMGYJA-LBPRGKRZSA-N 1 0 370.431 0.378 10 5 FCBERO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000411567259 533933070 /nfs/dbraw/zinc/93/30/70/533933070.db2.gz ILITUEWIZZUYKU-AWEZNQCLSA-N 1 0 364.402 0.805 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000599101742 546515023 /nfs/dbraw/zinc/51/50/23/546515023.db2.gz AWOWVMXULWZYIN-NXEZZACHSA-N 1 0 357.388 0.800 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000572493486 546850077 /nfs/dbraw/zinc/85/00/77/546850077.db2.gz MAWJRBAQHPTVAN-NXEZZACHSA-N 1 0 357.388 0.882 10 5 FCBERO COc1ccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592878589 546959897 /nfs/dbraw/zinc/95/98/97/546959897.db2.gz HIHMRQFQAXILCS-LLVKDONJSA-N 1 0 350.375 0.795 10 5 FCBERO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593581183 546979120 /nfs/dbraw/zinc/97/91/20/546979120.db2.gz PDFFGIQVKOQZKR-GFCCVEGCSA-N 1 0 357.436 0.294 10 5 FCBERO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593578612 546979268 /nfs/dbraw/zinc/97/92/68/546979268.db2.gz OBKPYPRGENYWFE-LBPRGKRZSA-N 1 0 357.436 0.294 10 5 FCBERO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000593586305 546979901 /nfs/dbraw/zinc/97/99/01/546979901.db2.gz RQHLDONSIIOKDE-LBPRGKRZSA-N 1 0 358.420 0.769 10 5 FCBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594531447 547000909 /nfs/dbraw/zinc/00/09/09/547000909.db2.gz ATTZXYHLTQRMOX-SNVBAGLBSA-N 1 0 364.280 0.938 10 5 FCBERO O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923574958 667850692 /nfs/dbraw/zinc/85/06/92/667850692.db2.gz KUGQSPADZAJYFN-ZDUSSCGKSA-N 1 0 354.432 0.799 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000420475965 674881254 /nfs/dbraw/zinc/88/12/54/674881254.db2.gz OBKYOCMYFHIKIK-OAHLLOKOSA-N 1 0 369.399 0.898 10 5 FCBERO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819288997 668994737 /nfs/dbraw/zinc/99/47/37/668994737.db2.gz BPYWXOJIMYHFJQ-QEJZJMRPSA-N 1 0 357.432 0.936 10 5 FCBERO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000847040850 671168103 /nfs/dbraw/zinc/16/81/03/671168103.db2.gz SFIXDHBIIOSUOI-NWDGAFQWSA-N 1 0 354.794 0.938 10 5 FCBERO O=C1O[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000848677401 671289462 /nfs/dbraw/zinc/28/94/62/671289462.db2.gz DBYQVQXNGIPDRJ-HIFRSBDPSA-N 1 0 351.359 0.907 10 5 FCBERO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000860194579 671874862 /nfs/dbraw/zinc/87/48/62/671874862.db2.gz UIQKGPXSIOWXHM-IUODEOHRSA-N 1 0 357.432 0.889 10 5 FCBERO CC(C)C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000127802009 1192468157 /nfs/dbraw/zinc/46/81/57/1192468157.db2.gz POLVWNJAUPANDB-AWEZNQCLSA-N 1 0 365.434 0.999 10 5 FCBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2oc(=O)n(C)c2c1 ZINC001480973978 1181858862 /nfs/dbraw/zinc/85/88/62/1181858862.db2.gz CLSWZULMCIMGSH-CHWSQXEVSA-N 1 0 362.386 0.735 10 5 FCBERO CCN(C(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001481513983 1186213175 /nfs/dbraw/zinc/21/31/75/1186213175.db2.gz NTKHBVHQVIECMV-HZPDHXFCSA-N 1 0 366.462 0.833 10 5 FCBERO Cn1ccc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC001481998192 1187568628 /nfs/dbraw/zinc/56/86/28/1187568628.db2.gz NRBJEUZOTOXVPO-HZPDHXFCSA-N 1 0 362.430 0.769 10 5 FCBERO CCN(C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccccc1 ZINC001269411402 1187847334 /nfs/dbraw/zinc/84/73/34/1187847334.db2.gz FWZGTNJRANFMMZ-HUUCEWRRSA-N 1 0 360.414 0.943 10 5 FCBERO COC(=O)COc1ccc(CN2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475120307 1190668505 /nfs/dbraw/zinc/66/85/05/1190668505.db2.gz RBEUCJIKXNTWLU-CYBMUJFWSA-N 1 0 367.402 0.645 10 5 FCBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053301 1193784924 /nfs/dbraw/zinc/78/49/24/1193784924.db2.gz YTJDNQSHJNZTSA-UHFFFAOYSA-N 1 0 363.418 0.548 10 5 FCBERO CN(C(=O)CN1CCN(CC[NH+](C)C)C(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000593053111 1196605921 /nfs/dbraw/zinc/60/59/21/1196605921.db2.gz XCSFISHLUHVZTH-UHFFFAOYSA-N 1 0 363.418 0.263 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1=O ZINC000593783637 1196820126 /nfs/dbraw/zinc/82/01/26/1196820126.db2.gz BVXUENXSUYVSTO-UHFFFAOYSA-N 1 0 359.386 0.922 10 5 FCBERO C[NH+](C)CCN1CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1=O ZINC000844714116 1204429923 /nfs/dbraw/zinc/42/99/23/1204429923.db2.gz JCYOZWRZWFOHFT-UHFFFAOYSA-N 1 0 373.417 0.517 10 5 FCBERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001147775551 1204809727 /nfs/dbraw/zinc/80/97/27/1204809727.db2.gz KUNOIKWUGYIWOQ-ZFWWWQNUSA-N 1 0 361.402 0.723 10 5 FCBERO C[C@](CO)([NH2+]C[C@](O)(C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001175322326 1206303785 /nfs/dbraw/zinc/30/37/85/1206303785.db2.gz ATZACVGEISBVBU-QZTJIDSGSA-N 1 0 359.382 0.765 10 5 FCBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001181413018 1206408194 /nfs/dbraw/zinc/40/81/94/1206408194.db2.gz HWHITXXJEXTJCF-WMLDXEAASA-N 1 0 365.386 0.316 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccc(F)cc1 ZINC001488826081 1208551760 /nfs/dbraw/zinc/55/17/60/1208551760.db2.gz FNQOGMQUIYXZAQ-JUDXGUMMSA-N 1 0 364.377 0.914 10 5 FCBERO COc1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1[N+](=O)[O-] ZINC000866709208 1210002993 /nfs/dbraw/zinc/00/29/93/1210002993.db2.gz IYTUXABBZLXXCB-BJJXKVORSA-N 1 0 362.386 0.970 10 5 FCBERO C[NH+]1CCN(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000900042883 1217957174 /nfs/dbraw/zinc/95/71/74/1217957174.db2.gz DAQWXMVYKIELKD-UHFFFAOYSA-N 1 0 364.402 0.733 10 5 FCBERO CN(C)C(=O)c1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001277055391 1225815547 /nfs/dbraw/zinc/81/55/47/1225815547.db2.gz PBBYVQHTFIPDAA-HUUCEWRRSA-N 1 0 360.414 0.792 10 5 FCBERO CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001490890278 1219369290 /nfs/dbraw/zinc/36/92/90/1219369290.db2.gz OGQABUCEAMZSEA-KLHDSHLOSA-N 1 0 360.414 0.547 10 5 FCBERO CC[N@@H+]1CC[C@H]2OCCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2C1 ZINC000840084669 1222770041 /nfs/dbraw/zinc/77/00/41/1222770041.db2.gz WOFIBKCJGFAZHX-LSDHHAIUSA-N 1 0 374.397 0.943 10 5 FCBERO CN(Cc1ccco1)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001330594649 1266065861 /nfs/dbraw/zinc/06/58/61/1266065861.db2.gz MIAQPQKBUJJYKK-QHSBEEBCSA-N 1 0 364.402 0.388 10 5 FCBERO COc1cccc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001265538737 1260414532 /nfs/dbraw/zinc/41/45/32/1260414532.db2.gz KQLPVNNOCMMTNP-AYRXBEOTSA-N 1 0 362.386 0.536 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001472258438 1261454930 /nfs/dbraw/zinc/45/49/30/1261454930.db2.gz GJOXIHNWCCZUDT-KGLIPLIRSA-N 1 0 351.407 0.547 10 5 FCBERO Cc1c(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001294068635 1262725613 /nfs/dbraw/zinc/72/56/13/1262725613.db2.gz NCWODUQDCGRCAR-HUUCEWRRSA-N 1 0 359.386 0.886 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC001479292764 1263182862 /nfs/dbraw/zinc/18/28/62/1263182862.db2.gz JVHLONCYJXXLFY-AQNFWKISSA-N 1 0 364.377 0.914 10 5 FCBERO CN(CCC[NH2+]Cc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483464824 1263444101 /nfs/dbraw/zinc/44/41/01/1263444101.db2.gz UJSVQBFKBIOCKL-HUUCEWRRSA-N 1 0 369.443 0.693 10 5 FCBERO CC(C)NC(=O)NCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484135888 1263455329 /nfs/dbraw/zinc/45/53/29/1263455329.db2.gz MVCPGNNXHDEVPB-ZIAGYGMSSA-N 1 0 369.466 0.578 10 5 FCBERO O=C(C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001495412452 1263819433 /nfs/dbraw/zinc/81/94/33/1263819433.db2.gz HNVNXIYSEBUUTJ-CHWSQXEVSA-N 1 0 365.390 0.497 10 5 FCBERO O=C(NC[C@H]1CC[C@H](C[NH2+]CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001501179634 1264107998 /nfs/dbraw/zinc/10/79/98/1264107998.db2.gz SBADXNXLSNWILE-KBUPBQIOSA-N 1 0 350.423 0.456 10 5 FCBERO CCc1nocc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001501257788 1264113975 /nfs/dbraw/zinc/11/39/75/1264113975.db2.gz DJJMFNVJDCAQEZ-GDBMZVCRSA-N 1 0 365.434 0.572 10 5 FCBERO O=C(N[C@H]1CC[C@H](C[NH2+]CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001501693946 1264143411 /nfs/dbraw/zinc/14/34/11/1264143411.db2.gz BRLIRJUBIAXAQI-KBUPBQIOSA-N 1 0 352.435 0.539 10 5 FCBERO CCN(C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)C1CC1 ZINC001501735489 1264143537 /nfs/dbraw/zinc/14/35/37/1264143537.db2.gz NQBQFKBFYMDEPO-HUUCEWRRSA-N 1 0 364.446 0.587 10 5 FCBERO C[NH+](C)CCC(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001511998958 1264609687 /nfs/dbraw/zinc/60/96/87/1264609687.db2.gz HCQSKPXOIFPSPC-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO C[N@H+](CC(=O)NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001512060307 1264612711 /nfs/dbraw/zinc/61/27/11/1264612711.db2.gz GQARVYFHXLRDGZ-HUUCEWRRSA-N 1 0 350.419 0.411 10 5 FCBERO C[NH+]1CCC2(CCN2C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC001334644943 1267121242 /nfs/dbraw/zinc/12/12/42/1267121242.db2.gz QPPQFFUDEFILFF-UHFFFAOYSA-N 1 0 360.414 0.950 10 5 FCBERO C[NH+](C)CCC(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001536174233 1267319185 /nfs/dbraw/zinc/31/91/85/1267319185.db2.gz BBHWTVUNADTLER-HZPDHXFCSA-N 1 0 366.462 0.833 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC001545794077 1267622674 /nfs/dbraw/zinc/62/26/74/1267622674.db2.gz UGVLFCPUPHDJIU-KGLIPLIRSA-N 1 0 364.450 0.909 10 5 FCBERO CC[NH+](CC)CC(=O)NCCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001340369590 1268524154 /nfs/dbraw/zinc/52/41/54/1268524154.db2.gz BIDQVFPZZBUELE-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001556242747 1268836423 /nfs/dbraw/zinc/83/64/23/1268836423.db2.gz TVZGOZUWMQJJFR-UHFFFAOYSA-N 1 0 356.404 0.408 10 5 FCBERO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001558020460 1269003471 /nfs/dbraw/zinc/00/34/71/1269003471.db2.gz AGKTZTFNOQSFQK-UHFFFAOYSA-N 1 0 350.375 0.880 10 5 FCBERO CCc1n[nH]c(C(=O)N[C@H]2CCC[C@H]2[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC001558051712 1269014648 /nfs/dbraw/zinc/01/46/48/1269014648.db2.gz YEEQEOQDWIPAMM-QWHCGFSZSA-N 1 0 351.407 0.988 10 5 FCBERO CCc1n[nH]c(C(=O)N[C@@H]2CCC[C@H]2[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC001558051710 1269015021 /nfs/dbraw/zinc/01/50/21/1269015021.db2.gz YEEQEOQDWIPAMM-CHWSQXEVSA-N 1 0 351.407 0.988 10 5 FCBERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001558198652 1269055267 /nfs/dbraw/zinc/05/52/67/1269055267.db2.gz WJGTVZWVKADCIW-GJZGRUSLSA-N 1 0 357.374 0.879 10 5 FCBERO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001559500592 1269170720 /nfs/dbraw/zinc/17/07/20/1269170720.db2.gz GLZGAAOWEUMVES-JSGCOSHPSA-N 1 0 353.423 0.963 10 5 FCBERO CONC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001560124544 1269189341 /nfs/dbraw/zinc/18/93/41/1269189341.db2.gz YIYSMLKBLLYNBJ-CYBMUJFWSA-N 1 0 353.375 0.724 10 5 FCBERO CCOC(=O)[C@@]1(F)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1CC ZINC001560134262 1269190979 /nfs/dbraw/zinc/19/09/79/1269190979.db2.gz AEIMMZWQAYZBQN-CORIIIEPSA-N 1 0 358.370 0.765 10 5 FCBERO CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC001566429050 1269643212 /nfs/dbraw/zinc/64/32/12/1269643212.db2.gz SOUKJFUVQPTEKG-GFCCVEGCSA-N 1 0 370.431 0.426 10 5 FCBERO CC(C)CC(=O)N1CCC(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567281493 1269684673 /nfs/dbraw/zinc/68/46/73/1269684673.db2.gz ONZBJVPOCNTFFN-HZPDHXFCSA-N 1 0 368.478 0.984 10 5 FCBERO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)NCC1CC1 ZINC001570052206 1269834797 /nfs/dbraw/zinc/83/47/97/1269834797.db2.gz MGXKWMGWAIRXEU-ZIAGYGMSSA-N 1 0 350.419 0.102 10 5 FCBERO O=C(NC1(CO)CC[NH+](CCOc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570492111 1269892063 /nfs/dbraw/zinc/89/20/63/1269892063.db2.gz QDGZKYXNPOYTHR-HZPDHXFCSA-N 1 0 363.414 0.674 10 5 FCBERO O=C(NC1(CO)CC[NH+](CCCC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570491901 1269893095 /nfs/dbraw/zinc/89/30/95/1269893095.db2.gz IFFQZXQJAJWRND-HZPDHXFCSA-N 1 0 369.462 0.802 10 5 FCBERO CC(C)CNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001570796013 1269914902 /nfs/dbraw/zinc/91/49/02/1269914902.db2.gz AYLRABFGOCKJTO-ZIAGYGMSSA-N 1 0 354.451 0.833 10 5 FCBERO CN(CC(C)(C)CNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001571792592 1269956253 /nfs/dbraw/zinc/95/62/53/1269956253.db2.gz VNBIUJGDZJAGPS-ZIAGYGMSSA-N 1 0 354.451 0.594 10 5 FCBERO O=C(NCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001714264562 1287318036 /nfs/dbraw/zinc/31/80/36/1287318036.db2.gz QTTINTVOQOGGCT-HUUCEWRRSA-N 1 0 352.435 0.396 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NCc1ccco1 ZINC001714493201 1287323055 /nfs/dbraw/zinc/32/30/55/1287323055.db2.gz KZIHGTPRHVYKKD-ZIAGYGMSSA-N 1 0 364.402 0.580 10 5 FCBERO CC(C)CNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001716726026 1287388511 /nfs/dbraw/zinc/38/85/11/1287388511.db2.gz VVILDDOXVNJFFJ-HUUCEWRRSA-N 1 0 366.462 0.738 10 5 FCBERO C[NH+]1CCC(CC(=O)N(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 ZINC001581468292 1280002151 /nfs/dbraw/zinc/00/21/51/1280002151.db2.gz LKZPUVAESREZRY-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO CS(=O)(=O)CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001717523158 1287428115 /nfs/dbraw/zinc/42/81/15/1287428115.db2.gz HFEGWZOWDIYASE-CHWSQXEVSA-N 1 0 361.464 0.495 10 5 FCBERO CC[NH+]1CCC(N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC001632364403 1282171737 /nfs/dbraw/zinc/17/17/37/1282171737.db2.gz HQQPQSOMDPWRAT-UHFFFAOYSA-N 1 0 370.431 0.799 10 5 FCBERO CN(CC[NH+]1CCCC1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001584836343 1282176820 /nfs/dbraw/zinc/17/68/20/1282176820.db2.gz CBOXDTVWWJPGMY-UHFFFAOYSA-N 1 0 370.431 0.427 10 5 FCBERO C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001639068229 1282744367 /nfs/dbraw/zinc/74/43/67/1282744367.db2.gz HQNRTPCEPKWWIF-CJNGLKHVSA-N 1 0 364.450 0.940 10 5 FCBERO CC(C)[N@H+](C)CCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001595454890 1286249047 /nfs/dbraw/zinc/24/90/47/1286249047.db2.gz RDMFWDVWZHKZNI-UHFFFAOYSA-N 1 0 358.420 0.702 10 5 FCBERO O=C(CCCC[NH+]1CCCC1)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001704567797 1286265750 /nfs/dbraw/zinc/26/57/50/1286265750.db2.gz KOLWXNVCUDHIKL-HUUCEWRRSA-N 1 0 352.435 0.492 10 5 FCBERO CC(C)[N@H+](C)CC(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001704753590 1286294555 /nfs/dbraw/zinc/29/45/55/1286294555.db2.gz NFLZSSKYBMUANO-HUUCEWRRSA-N 1 0 366.462 0.833 10 5 FCBERO O=C(NCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)C12CCC[NH+]1CCC2 ZINC001721237857 1288318825 /nfs/dbraw/zinc/31/88/25/1288318825.db2.gz LCMPQSIJABLZPB-ZIAGYGMSSA-N 1 0 350.419 0.387 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCCCCn3cncn3)C[C@@H]2C1 ZINC001724620166 1288446415 /nfs/dbraw/zinc/44/64/15/1288446415.db2.gz PBJKUOVBDWBPOU-QKPAOTATSA-N 1 0 362.434 0.504 10 5 FCBERO C[N@H+](CC(=O)NC1CCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001725421390 1288467191 /nfs/dbraw/zinc/46/71/91/1288467191.db2.gz HCFNJQSPZBKDFK-HUUCEWRRSA-N 1 0 352.435 0.633 10 5 FCBERO CCC(CC)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001733574362 1288618895 /nfs/dbraw/zinc/61/88/95/1288618895.db2.gz RKJPQWWUFXBTLR-AYRXBEOTSA-N 1 0 352.435 0.347 10 5 FCBERO Cc1nc(C)n(CC[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001733862765 1288634446 /nfs/dbraw/zinc/63/44/46/1288634446.db2.gz OFVMJOXHQHSECY-ZIAGYGMSSA-N 1 0 350.423 0.531 10 5 FCBERO CC(C)NC(=O)NCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001734623395 1288662444 /nfs/dbraw/zinc/66/24/44/1288662444.db2.gz BEABVCBBVXPZBZ-ZIAGYGMSSA-N 1 0 353.423 0.108 10 5 FCBERO CN(CC(C)(C)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CCC[NH+]1CCC2 ZINC001734732915 1288672127 /nfs/dbraw/zinc/67/21/27/1288672127.db2.gz IGNOFLXOAMUGJZ-ZIAGYGMSSA-N 1 0 366.462 0.881 10 5 FCBERO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001615912416 1289764604 /nfs/dbraw/zinc/76/46/04/1289764604.db2.gz WHXRUVFHKYWQJJ-GFCCVEGCSA-N 1 0 350.423 0.575 10 5 FCBERO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001625504876 1290346370 /nfs/dbraw/zinc/34/63/70/1290346370.db2.gz HABBGLAKLOYTEG-AWEZNQCLSA-N 1 0 359.386 0.967 10 5 FCBERO C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001628390452 1290531122 /nfs/dbraw/zinc/53/11/22/1290531122.db2.gz RRYMWIJGSFCMMF-IUODEOHRSA-N 1 0 364.402 0.537 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001628482335 1290536868 /nfs/dbraw/zinc/53/68/68/1290536868.db2.gz ZGRSKXOKAWFKLQ-UHFFFAOYSA-N 1 0 363.418 0.924 10 5 FCBERO C[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC001629018500 1290569912 /nfs/dbraw/zinc/56/99/12/1290569912.db2.gz GXNFDHCTYVDHHE-UHFFFAOYSA-N 1 0 368.459 0.656 10 5 FCBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001630362004 1290662338 /nfs/dbraw/zinc/66/23/38/1290662338.db2.gz VZRHXOIBYFVICA-AWEZNQCLSA-N 1 0 374.401 0.752 10 5 FCBERO C[NH+](C)CCN1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC001646591522 1291068348 /nfs/dbraw/zinc/06/83/48/1291068348.db2.gz WWJCJQHGCZWEJW-UHFFFAOYSA-N 1 0 374.401 0.851 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@H](CO)CC[C@H]1CO ZINC001654043670 1291390933 /nfs/dbraw/zinc/39/09/33/1291390933.db2.gz DYUKACUKSMGWHB-STQMWFEESA-N 1 0 353.375 0.750 10 5 FCBERO O=C(CC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654949690 1291446865 /nfs/dbraw/zinc/44/68/65/1291446865.db2.gz NIKZPWIHDFSUER-TXEJJXNPSA-N 1 0 353.400 0.900 10 5 FCBERO Cn1cc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC001659971374 1291648552 /nfs/dbraw/zinc/64/85/52/1291648552.db2.gz LVCKZTDMNSUQGO-UHFFFAOYSA-N 1 0 350.423 0.634 10 5 FCBERO COc1ccnc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)c1 ZINC001673727477 1292121233 /nfs/dbraw/zinc/12/12/33/1292121233.db2.gz GMRWERJQXAXCKT-HUUCEWRRSA-N 1 0 364.402 0.510 10 5 FCBERO CC(C)[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001678501878 1292274188 /nfs/dbraw/zinc/27/41/88/1292274188.db2.gz OQLGMHPQZYMHPK-ZIAGYGMSSA-N 1 0 354.451 0.927 10 5 FCBERO CN(CCC[NH2+]Cc1cc(=O)n2ccsc2n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276002444 861287010 /nfs/dbraw/zinc/28/70/10/861287010.db2.gz RCCOXWRTJOYQHP-VXGBXAGGSA-N 1 0 365.415 0.359 10 5 FCBERO CC(C)(C)NC(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001276977598 861719723 /nfs/dbraw/zinc/71/97/23/861719723.db2.gz VLTGYIOBOMECQX-FDYHWXHSSA-N 1 0 355.439 0.234 10 5 FCBERO COc1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001117116591 846896752 /nfs/dbraw/zinc/89/67/52/846896752.db2.gz MWPDGRGRIHEZQG-UHFFFAOYSA-N 1 0 352.391 0.630 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC001176610043 850793144 /nfs/dbraw/zinc/79/31/44/850793144.db2.gz KQYDFBCNDPNJDR-MFKMUULPSA-N 1 0 371.415 0.738 10 5 FCBERO CCO[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC001177354351 850842848 /nfs/dbraw/zinc/84/28/48/850842848.db2.gz NYGPFYPOIPYDKE-CQSZACIVSA-N 1 0 352.391 0.408 10 5 FCBERO Nc1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc(F)cc1[N+](=O)[O-] ZINC001180054128 851009865 /nfs/dbraw/zinc/00/98/65/851009865.db2.gz LFZVSTFAOCMDRQ-CHWSQXEVSA-N 1 0 352.366 0.987 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC001186855326 851478231 /nfs/dbraw/zinc/47/82/31/851478231.db2.gz UOTDZYMHDNLQTK-CQSZACIVSA-N 1 0 358.420 0.135 10 5 FCBERO CN1C(=O)[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1=O ZINC001197021236 853050747 /nfs/dbraw/zinc/05/07/47/853050747.db2.gz RZLYMQXWQNHMQP-AOOOYVTPSA-N 1 0 366.761 0.733 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)Nc1nncs1 ZINC001267837084 859518735 /nfs/dbraw/zinc/51/87/35/859518735.db2.gz DBZJKRDLAQDHQD-NXEZZACHSA-N 1 0 368.419 0.160 10 5 FCBERO CS(=O)(=O)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001272727471 860240164 /nfs/dbraw/zinc/24/01/64/860240164.db2.gz WVZVVCKPVIUCQA-AAVRWANBSA-N 1 0 361.464 0.351 10 5 FCBERO CC(C)OCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001281776749 863732787 /nfs/dbraw/zinc/73/27/87/863732787.db2.gz DQGGMGUFLISOHK-HUUCEWRRSA-N 1 0 355.435 0.770 10 5 FCBERO C[N@H+](CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC001283447312 864501784 /nfs/dbraw/zinc/50/17/84/864501784.db2.gz NKKZSUVUVRWSHN-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO C[NH+](C)C1(CC(=O)NC/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001285546569 864635578 /nfs/dbraw/zinc/63/55/78/864635578.db2.gz ZLBMDHYRLMJIKN-QAMKJQMISA-N 1 0 352.435 0.705 10 5 FCBERO NS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001292338708 865735659 /nfs/dbraw/zinc/73/56/59/865735659.db2.gz XHCVDRXOJFMJMJ-GFCCVEGCSA-N 1 0 368.415 0.553 10 5 FCBERO C[N@H+](CCCO)C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001295833041 865923586 /nfs/dbraw/zinc/92/35/86/865923586.db2.gz BPAODRBBQKRTFJ-UHFFFAOYSA-N 1 0 352.391 0.062 10 5 FCBERO C[NH+]1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001297518492 866038876 /nfs/dbraw/zinc/03/88/76/866038876.db2.gz PMHSJHKHXYUELB-ZIAGYGMSSA-N 1 0 352.435 0.539 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001302569633 866339703 /nfs/dbraw/zinc/33/97/03/866339703.db2.gz JXBMRAKRUPHMLU-NEPJUHHUSA-N 1 0 368.415 0.408 10 5 FCBERO C[N@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)CCOCCO ZINC001303014351 866372478 /nfs/dbraw/zinc/37/24/78/866372478.db2.gz AYSCMEODTZVOJR-UHFFFAOYSA-N 1 0 350.375 0.747 10 5 FCBERO CC(C)(C)[NH2+]CCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001351418321 866853440 /nfs/dbraw/zinc/85/34/40/866853440.db2.gz LSBAHADRLBIWBK-UHFFFAOYSA-N 1 0 372.447 0.768 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NC1CCCC1 ZINC001318631805 867712233 /nfs/dbraw/zinc/71/22/33/867712233.db2.gz GBHALIQEPPXZRX-ZIAGYGMSSA-N 1 0 352.435 0.729 10 5 FCBERO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC(F)(F)F ZINC001318953408 867787957 /nfs/dbraw/zinc/78/79/57/867787957.db2.gz QXQSMVVBAKDRDH-GWOFURMSSA-N 1 0 366.340 0.347 10 5 FCBERO Cc1nnsc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001327634987 870985324 /nfs/dbraw/zinc/98/53/24/870985324.db2.gz PAWQLZCXSXRDEP-GHMZBOCLSA-N 1 0 355.420 0.267 10 5 FCBERO O=C(N[C@H]1C[C@H](C[NH2+]CCCNC(=O)C(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001330594284 872724224 /nfs/dbraw/zinc/72/42/24/872724224.db2.gz FNEGNVVZIGJLPS-GWOFURMSSA-N 1 0 366.340 0.205 10 5 FCBERO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001331738712 873223404 /nfs/dbraw/zinc/22/34/04/873223404.db2.gz OOGACJROXIVPDK-GFCCVEGCSA-N 1 0 352.391 0.433 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000292624597 214113251 /nfs/dbraw/zinc/11/32/51/214113251.db2.gz MFRNWBOQRRUZDJ-JTQLQIEISA-N 1 0 359.404 0.857 10 5 FCBERO C[N@@H+]1CCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265375657 210112182 /nfs/dbraw/zinc/11/21/82/210112182.db2.gz PHUGFXSQXJHDRE-GFCCVEGCSA-N 1 0 356.404 0.084 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000361450879 215394009 /nfs/dbraw/zinc/39/40/09/215394009.db2.gz QQIDPZHPRFWYSB-GOEBONIOSA-N 1 0 353.423 0.339 10 5 FCBERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245434630 209367913 /nfs/dbraw/zinc/36/79/13/209367913.db2.gz CLMVVPQVROVQOE-MHEUCROKSA-N 1 0 352.391 0.958 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000368821221 216299594 /nfs/dbraw/zinc/29/95/94/216299594.db2.gz AZXGPMGCVLGLKM-AWEZNQCLSA-N 1 0 364.402 0.948 10 5 FCBERO CCn1nc2c(cc1=O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000373269739 217002416 /nfs/dbraw/zinc/00/24/16/217002416.db2.gz WBUGAUJUPFUHGT-AWEZNQCLSA-N 1 0 374.397 0.969 10 5 FCBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415328159 245386987 /nfs/dbraw/zinc/38/69/87/245386987.db2.gz HUKFLXOIXVCZSM-MRVPVSSYSA-N 1 0 357.164 0.774 10 5 FCBERO Cc1c(F)cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184504676 209163525 /nfs/dbraw/zinc/16/35/25/209163525.db2.gz UZSQRPZLDUPXHR-LLVKDONJSA-N 1 0 374.438 0.957 10 5 FCBERO CNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374809078 217177051 /nfs/dbraw/zinc/17/70/51/217177051.db2.gz HFNNPPZRNMANFZ-UHFFFAOYSA-N 1 0 353.354 0.210 10 5 FCBERO CN1CCN([C@@H]2CCCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000182907901 209139573 /nfs/dbraw/zinc/13/95/73/209139573.db2.gz GDVSPBWTZPAFJR-MRXNPFEDSA-N 1 0 363.462 0.858 10 5 FCBERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181922495 209124682 /nfs/dbraw/zinc/12/46/82/209124682.db2.gz XBXKJMSCMNNLSM-LSDHHAIUSA-N 1 0 353.419 0.723 10 5 FCBERO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181924148 209124013 /nfs/dbraw/zinc/12/40/13/209124013.db2.gz QLAMDJZMXMJABZ-LSDHHAIUSA-N 1 0 353.419 0.723 10 5 FCBERO C[C@@H]1CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)C[C@@]1(C)C[NH3+] ZINC000423981168 247157078 /nfs/dbraw/zinc/15/70/78/247157078.db2.gz FYNFZVMZLKHRGX-PIGZYNQJSA-N 1 0 362.386 0.764 10 5 FCBERO C[NH2+]CCCN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424030902 247162777 /nfs/dbraw/zinc/16/27/77/247162777.db2.gz HTJBWAXJELLJIU-UHFFFAOYSA-N 1 0 358.420 0.331 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000453817352 249373229 /nfs/dbraw/zinc/37/32/29/249373229.db2.gz KCPQPYLQIISDHR-AWEZNQCLSA-N 1 0 364.402 0.805 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270574851 211227648 /nfs/dbraw/zinc/22/76/48/211227648.db2.gz BQCFQWZYEYVMNC-SNVBAGLBSA-N 1 0 351.363 0.675 10 5 FCBERO CC[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000106103210 208211926 /nfs/dbraw/zinc/21/19/26/208211926.db2.gz IIQNQKOEILZZGZ-DOMZBBRYSA-N 1 0 350.419 0.971 10 5 FCBERO Cc1nn(C)c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000107282165 208239775 /nfs/dbraw/zinc/23/97/75/208239775.db2.gz LPRHOHRDUKOENQ-AWEZNQCLSA-N 1 0 364.450 0.879 10 5 FCBERO CS(=O)(=O)N[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000116888678 208337414 /nfs/dbraw/zinc/33/74/14/208337414.db2.gz MOSJWSVBRKDWPO-LLVKDONJSA-N 1 0 367.387 0.768 10 5 FCBERO Cn1cc([C@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)[NH+](C)C)cn1 ZINC000301260279 488877732 /nfs/dbraw/zinc/87/77/32/488877732.db2.gz CTWRMBUOCKQWIV-AWEZNQCLSA-N 1 0 368.419 0.691 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000324797982 488907174 /nfs/dbraw/zinc/90/71/74/488907174.db2.gz OCIZNWAAEJOKMJ-UHFFFAOYSA-N 1 0 358.420 0.129 10 5 FCBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000069527818 488373202 /nfs/dbraw/zinc/37/32/02/488373202.db2.gz TVBCXXNOQZJYIF-HNNXBMFYSA-N 1 0 364.402 0.552 10 5 FCBERO Cc1cc(C)n(C[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCO2)n1 ZINC000246730429 488475274 /nfs/dbraw/zinc/47/52/74/488475274.db2.gz MYTUFNRJLCMTER-CVEARBPZSA-N 1 0 364.406 0.367 10 5 FCBERO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000248447316 488496597 /nfs/dbraw/zinc/49/65/97/488496597.db2.gz HETKUMLNXTWKSH-INMHGKMJSA-N 1 0 365.430 0.987 10 5 FCBERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272362088 488575742 /nfs/dbraw/zinc/57/57/42/488575742.db2.gz SFMOUTJMICXQFM-LBPRGKRZSA-N 1 0 351.359 0.900 10 5 FCBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000122434601 488578327 /nfs/dbraw/zinc/57/83/27/488578327.db2.gz DMFSVBKDVMHPRF-UHFFFAOYSA-N 1 0 373.417 0.747 10 5 FCBERO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000262611070 488581014 /nfs/dbraw/zinc/58/10/14/488581014.db2.gz CXQPMCDQUHUDNA-QWRGUYRKSA-N 1 0 370.431 0.654 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000131713836 488648341 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CPRMRXDFDLPFGK-INIZCTEOSA-N 1 0 365.434 0.877 10 5 FCBERO Cn1cc(CN2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174784265 488851170 /nfs/dbraw/zinc/85/11/70/488851170.db2.gz ZTMNFTCHZLDKDK-INIZCTEOSA-N 1 0 363.422 0.094 10 5 FCBERO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(c2cnccn2)CC1 ZINC000364810356 489004756 /nfs/dbraw/zinc/00/47/56/489004756.db2.gz DRSKADNVJMJRDB-HNNXBMFYSA-N 1 0 361.406 0.543 10 5 FCBERO CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366001252 489133892 /nfs/dbraw/zinc/13/38/92/489133892.db2.gz NYADRDWIWKOREW-AWEZNQCLSA-N 1 0 372.381 0.743 10 5 FCBERO CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366001253 489134127 /nfs/dbraw/zinc/13/41/27/489134127.db2.gz NYADRDWIWKOREW-CQSZACIVSA-N 1 0 372.381 0.743 10 5 FCBERO CC(C)[C@@H](O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290826786 489167680 /nfs/dbraw/zinc/16/76/80/489167680.db2.gz UBVZMCRRJAVRDS-HNNXBMFYSA-N 1 0 374.463 0.864 10 5 FCBERO O=C1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1c1cccnc1 ZINC000563617822 491258635 /nfs/dbraw/zinc/25/86/35/491258635.db2.gz HLSKTNONQYEIPY-GJZGRUSLSA-N 1 0 360.374 0.332 10 5 FCBERO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427165195 489597489 /nfs/dbraw/zinc/59/74/89/489597489.db2.gz QKPUBKQTWUNUKW-AWEZNQCLSA-N 1 0 351.407 0.895 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000427642773 489616457 /nfs/dbraw/zinc/61/64/57/489616457.db2.gz SWYYSPQOZKVISO-OAHLLOKOSA-N 1 0 373.413 0.960 10 5 FCBERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000563960261 491279700 /nfs/dbraw/zinc/27/97/00/491279700.db2.gz ROLNDIQHJMUKHZ-GXSJLCMTSA-N 1 0 372.328 0.906 10 5 FCBERO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494915708 489920313 /nfs/dbraw/zinc/92/03/13/489920313.db2.gz PSBSPSODGABBJZ-ZDUSSCGKSA-N 1 0 370.431 0.520 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000378243447 490032728 /nfs/dbraw/zinc/03/27/28/490032728.db2.gz MZGHKWBRYKWBAW-HUUCEWRRSA-N 1 0 355.416 0.877 10 5 FCBERO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000556509572 491317245 /nfs/dbraw/zinc/31/72/45/491317245.db2.gz ILNOOGKEHPXXCM-GFCCVEGCSA-N 1 0 366.418 0.870 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@]2(CCO)CCOC2)cc1 ZINC000571642217 491320467 /nfs/dbraw/zinc/32/04/67/491320467.db2.gz JQQAHKBWJPAEII-HNNXBMFYSA-N 1 0 358.416 0.747 10 5 FCBERO CC[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000486382990 490616160 /nfs/dbraw/zinc/61/61/60/490616160.db2.gz UVPZXACESRMWLD-NSHDSACASA-N 1 0 360.370 0.791 10 5 FCBERO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000512267201 490669475 /nfs/dbraw/zinc/66/94/75/490669475.db2.gz WMGOZXODBZZXRM-STQMWFEESA-N 1 0 359.404 0.087 10 5 FCBERO CC[NH+](CC)CC(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000502358509 490702542 /nfs/dbraw/zinc/70/25/42/490702542.db2.gz AEUQBNYCNVRFII-UHFFFAOYSA-N 1 0 361.406 0.628 10 5 FCBERO COC(=O)c1cc(OC[C@H](O)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000516775470 490877489 /nfs/dbraw/zinc/87/74/89/490877489.db2.gz QPRYTQDCUJFMLY-GFCCVEGCSA-N 1 0 353.375 0.369 10 5 FCBERO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000518519385 490943678 /nfs/dbraw/zinc/94/36/78/490943678.db2.gz SEJHALXZMBMKDR-IUODEOHRSA-N 1 0 372.385 0.540 10 5 FCBERO CN1CCC(CNC(=O)c2c[nH]nc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000519529625 490974524 /nfs/dbraw/zinc/97/45/24/490974524.db2.gz YMNDRKAPWJBWSI-UHFFFAOYSA-N 1 0 350.423 0.998 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000575134861 491541058 /nfs/dbraw/zinc/54/10/58/491541058.db2.gz KCSONDLXKIAHFV-CYBMUJFWSA-N 1 0 362.434 0.814 10 5 FCBERO C[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000575195635 491544877 /nfs/dbraw/zinc/54/48/77/491544877.db2.gz PLEKNZBZCNFYSB-NSHDSACASA-N 1 0 356.404 0.036 10 5 FCBERO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000575950286 491572267 /nfs/dbraw/zinc/57/22/67/491572267.db2.gz VTFFNIOOSCUIRC-UHFFFAOYSA-N 1 0 350.466 0.818 10 5 FCBERO COC(=O)c1cccc(OC[C@@H](O)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000584533632 491601644 /nfs/dbraw/zinc/60/16/44/491601644.db2.gz HNKKTVWSMGIXOQ-LBPRGKRZSA-N 1 0 353.375 0.369 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000576464848 491617037 /nfs/dbraw/zinc/61/70/37/491617037.db2.gz SDIUKVUOBPBCSB-GXFFZTMASA-N 1 0 369.399 0.754 10 5 FCBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000577856683 491657175 /nfs/dbraw/zinc/65/71/75/491657175.db2.gz BCBFFJHJIJKDBX-UHFFFAOYSA-N 1 0 362.386 0.444 10 5 FCBERO CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000580191465 491721133 /nfs/dbraw/zinc/72/11/33/491721133.db2.gz GIFLIBMAODHHIV-DCAQKATOSA-N 1 0 370.431 0.987 10 5 FCBERO [NH3+]CCCCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580431996 491731250 /nfs/dbraw/zinc/73/12/50/491731250.db2.gz IAEXPLUMKZBICI-UHFFFAOYSA-N 1 0 370.431 0.557 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000590445013 491777080 /nfs/dbraw/zinc/77/70/80/491777080.db2.gz PJUVNJYQMAZZQY-SMDDNHRTSA-N 1 0 360.370 0.483 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000582964152 491834533 /nfs/dbraw/zinc/83/45/33/491834533.db2.gz JAGOWXLESXGVAV-NSHDSACASA-N 1 0 369.399 0.896 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)n1 ZINC000583811575 491852538 /nfs/dbraw/zinc/85/25/38/491852538.db2.gz KDPOYCRHUDJPQZ-UHFFFAOYSA-N 1 0 350.423 0.757 10 5 FCBERO O=C(N1CC[NH2+]CC1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000600712884 491878195 /nfs/dbraw/zinc/87/81/95/491878195.db2.gz CDCMIVBNLFKYHA-UHFFFAOYSA-N 1 0 374.401 0.879 10 5 FCBERO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000595109476 491884302 /nfs/dbraw/zinc/88/43/02/491884302.db2.gz GYPNGDYTHPRJSE-OCCSQVGLSA-N 1 0 370.431 0.897 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601181024 491898605 /nfs/dbraw/zinc/89/86/05/491898605.db2.gz CSAOTWYNGPTTQG-MRVPVSSYSA-N 1 0 364.328 0.903 10 5 FCBERO Cc1cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601354646 491907885 /nfs/dbraw/zinc/90/78/85/491907885.db2.gz CPLBJZXMURUKQZ-JTQLQIEISA-N 1 0 362.477 0.879 10 5 FCBERO CC(C)[C@H]([NH3+])CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595951019 491964420 /nfs/dbraw/zinc/96/44/20/491964420.db2.gz VQLLRFFUDHWIDQ-CQSZACIVSA-N 1 0 372.447 0.705 10 5 FCBERO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000596106721 491975348 /nfs/dbraw/zinc/97/53/48/491975348.db2.gz RBBGSSXTVGCEPL-UHFFFAOYSA-N 1 0 371.397 0.962 10 5 FCBERO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598165510 492087031 /nfs/dbraw/zinc/08/70/31/492087031.db2.gz YDCWKOGROYPEFV-LBPRGKRZSA-N 1 0 350.375 0.812 10 5 FCBERO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000598181629 492087672 /nfs/dbraw/zinc/08/76/72/492087672.db2.gz BGPRKQAFEXOIMG-UHFFFAOYSA-N 1 0 372.372 0.894 10 5 FCBERO CC[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598531325 492103375 /nfs/dbraw/zinc/10/33/75/492103375.db2.gz JRJAIVLDOCWMFC-GXSJLCMTSA-N 1 0 356.404 0.455 10 5 FCBERO C[NH+](C)C1CC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598716563 492115471 /nfs/dbraw/zinc/11/54/71/492115471.db2.gz NBWISHJGTSKFMF-UHFFFAOYSA-N 1 0 370.431 0.472 10 5 FCBERO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599265572 492151523 /nfs/dbraw/zinc/15/15/23/492151523.db2.gz FJEYZESRJJHPAL-LBPRGKRZSA-N 1 0 359.452 0.975 10 5 FCBERO CN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000609532464 492211997 /nfs/dbraw/zinc/21/19/97/492211997.db2.gz CUVJLILVLFRWSH-HNNXBMFYSA-N 1 0 374.397 0.873 10 5 FCBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599916377 492217080 /nfs/dbraw/zinc/21/70/80/492217080.db2.gz AHJNZGPERQTXLR-UONOGXRCSA-N 1 0 370.431 0.808 10 5 FCBERO CCc1n[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000444331917 536005285 /nfs/dbraw/zinc/00/52/85/536005285.db2.gz RAGYVPGRDLHGQJ-LBPRGKRZSA-N 1 0 368.438 0.703 10 5 FCBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183812 546945572 /nfs/dbraw/zinc/94/55/72/546945572.db2.gz FUSYSCMQCJMRGI-PWSUYJOCSA-N 1 0 365.312 0.153 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872822 546959984 /nfs/dbraw/zinc/95/99/84/546959984.db2.gz LZQSEXCQQYKRRG-SNVBAGLBSA-N 1 0 352.395 0.462 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000593230693 546964550 /nfs/dbraw/zinc/96/45/50/546964550.db2.gz AFGKOJISCMKDOB-UHFFFAOYSA-N 1 0 350.375 0.206 10 5 FCBERO C[NH+](C)CCN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593235304 546964870 /nfs/dbraw/zinc/96/48/70/546964870.db2.gz RKERDKJCAANDNQ-UHFFFAOYSA-N 1 0 350.375 0.206 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593749807 546990289 /nfs/dbraw/zinc/99/02/89/546990289.db2.gz XELQTTLBASGEEF-NSHDSACASA-N 1 0 352.366 0.855 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593770655 546990493 /nfs/dbraw/zinc/99/04/93/546990493.db2.gz MHWVDZIMXQNWBY-BXUZGUMPSA-N 1 0 350.375 0.664 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593919001 546994950 /nfs/dbraw/zinc/99/49/50/546994950.db2.gz LQBDWCLRIYMMNO-MJBXVCDLSA-N 1 0 351.407 0.987 10 5 FCBERO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C[C@H]1C[NH3+] ZINC000593916118 546995141 /nfs/dbraw/zinc/99/51/41/546995141.db2.gz BENDXXAHXDVURH-QMTHXVAHSA-N 1 0 351.359 0.802 10 5 FCBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000594400352 546998238 /nfs/dbraw/zinc/99/82/38/546998238.db2.gz BETQSNRTXPDWOF-TXEJJXNPSA-N 1 0 370.431 0.330 10 5 FCBERO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(F)(F)F ZINC000594450700 546998976 /nfs/dbraw/zinc/99/89/76/546998976.db2.gz RIAHDVOHFAGRAU-CBAPKCEASA-N 1 0 364.280 0.798 10 5 FCBERO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594478377 547000098 /nfs/dbraw/zinc/00/00/98/547000098.db2.gz RMGNQOKTOZJARG-UONOGXRCSA-N 1 0 355.416 0.218 10 5 FCBERO C[C@H]1CN(CC(C)(C)O)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772260 547008285 /nfs/dbraw/zinc/00/82/85/547008285.db2.gz XITAYHRNQUAKNZ-NSHDSACASA-N 1 0 358.420 0.456 10 5 FCBERO CN1CC[N@H+](C)CC(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000913659878 666639634 /nfs/dbraw/zinc/63/96/34/666639634.db2.gz MQKSFLIUHZAWCQ-KRWDZBQOSA-N 1 0 350.419 0.412 10 5 FCBERO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000917904182 667090928 /nfs/dbraw/zinc/09/09/28/667090928.db2.gz UGSZMWSEMGGNFW-UHFFFAOYSA-N 1 0 360.461 0.524 10 5 FCBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923307371 667823325 /nfs/dbraw/zinc/82/33/25/667823325.db2.gz VHQDXCASGSSCBT-LBPRGKRZSA-N 1 0 366.443 0.793 10 5 FCBERO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000775809306 668231927 /nfs/dbraw/zinc/23/19/27/668231927.db2.gz DHIHKZZLMMHICX-DYEKYZERSA-N 1 0 355.395 0.609 10 5 FCBERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843316210 670796410 /nfs/dbraw/zinc/79/64/10/670796410.db2.gz KQVWMRMEAPNEOU-UHFFFAOYSA-N 1 0 354.338 0.003 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844033498 670884823 /nfs/dbraw/zinc/88/48/23/670884823.db2.gz FFFWIKMWXGRJCM-BXUZGUMPSA-N 1 0 350.375 0.207 10 5 FCBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844033500 670885142 /nfs/dbraw/zinc/88/51/42/670885142.db2.gz FFFWIKMWXGRJCM-RISCZKNCSA-N 1 0 350.375 0.207 10 5 FCBERO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844748488 670940107 /nfs/dbraw/zinc/94/01/07/670940107.db2.gz TTZKERNAJJPKGL-DZNAWHIJSA-N 1 0 351.384 0.695 10 5 FCBERO CCc1noc(C[C@]2(O)CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000856674672 671694521 /nfs/dbraw/zinc/69/45/21/671694521.db2.gz NSOYGFFAOHZZSP-OAHLLOKOSA-N 1 0 350.379 0.806 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000861517393 671967768 /nfs/dbraw/zinc/96/77/68/671967768.db2.gz IYZAWEGXSVAULO-UHFFFAOYSA-N 1 0 358.782 0.881 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000929522843 673961185 /nfs/dbraw/zinc/96/11/85/673961185.db2.gz CZIGYICOMBXUGL-UHFFFAOYSA-N 1 0 350.423 0.340 10 5 FCBERO O=C(C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)N1CCC1 ZINC001267097219 1171756556 /nfs/dbraw/zinc/75/65/56/1171756556.db2.gz WLOZRDMICQFTTO-HZPDHXFCSA-N 1 0 360.414 0.332 10 5 FCBERO COc1cc[nH+]c(N2CCN(C(=O)Cn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC001125989763 1183881461 /nfs/dbraw/zinc/88/14/61/1183881461.db2.gz HSYLFJAHQUFOJP-UHFFFAOYSA-N 1 0 360.374 0.852 10 5 FCBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001270880646 1188398771 /nfs/dbraw/zinc/39/87/71/1188398771.db2.gz YUQQFYAKAGKKNS-CHWSQXEVSA-N 1 0 366.418 0.019 10 5 FCBERO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000895679646 1189875278 /nfs/dbraw/zinc/87/52/78/1189875278.db2.gz HLTWDHAKOUWCBC-OAHLLOKOSA-N 1 0 361.402 0.359 10 5 FCBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052715 1196605581 /nfs/dbraw/zinc/60/55/81/1196605581.db2.gz VCMOFFCGQZUTMU-CYBMUJFWSA-N 1 0 363.418 0.628 10 5 FCBERO CCO[C@@H]1CN(C(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)C[C@H]1C[NH3+] ZINC000593917108 1196840795 /nfs/dbraw/zinc/84/07/95/1196840795.db2.gz WGRMSMODOPZQMP-JHJVBQTASA-N 1 0 368.438 0.649 10 5 FCBERO O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000594025730 1196847006 /nfs/dbraw/zinc/84/70/06/1196847006.db2.gz RLYDLRBRUOXUIQ-WDEREUQCSA-N 1 0 364.358 0.013 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001198755439 1208289222 /nfs/dbraw/zinc/28/92/22/1208289222.db2.gz YUHFXKFRRQNAQB-OLZOCXBDSA-N 1 0 367.402 0.855 10 5 FCBERO C[NH+](C)CC1(C(=O)NCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001488633066 1208543874 /nfs/dbraw/zinc/54/38/74/1208543874.db2.gz BMBBMDZZRVKQDJ-ZIAGYGMSSA-N 1 0 350.419 0.268 10 5 FCBERO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001299345710 1210855227 /nfs/dbraw/zinc/85/52/27/1210855227.db2.gz KZEWTPOQUVQUDS-HUUCEWRRSA-N 1 0 366.462 0.833 10 5 FCBERO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000753117386 1220086882 /nfs/dbraw/zinc/08/68/82/1220086882.db2.gz ZZOOLBRXVLBTJO-UHFFFAOYSA-N 1 0 374.401 0.954 10 5 FCBERO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118902413 1221842681 /nfs/dbraw/zinc/84/26/81/1221842681.db2.gz KPSPOMMFHANGBW-UHFFFAOYSA-N 1 0 364.402 0.174 10 5 FCBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001119004263 1221854539 /nfs/dbraw/zinc/85/45/39/1221854539.db2.gz WRYAEPSDUKGIRP-KBXCAEBGSA-N 1 0 360.414 0.664 10 5 FCBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001261876875 1260206559 /nfs/dbraw/zinc/20/65/59/1260206559.db2.gz RKTOUKYJRUHNSN-HOCLYGCPSA-N 1 0 360.414 0.949 10 5 FCBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2c(c1)nnn2C ZINC001266043223 1260421709 /nfs/dbraw/zinc/42/17/09/1260421709.db2.gz VNXRBPNMECKMIV-CZUORRHYSA-N 1 0 360.418 0.962 10 5 FCBERO CC(C)(C)NC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001282985300 1261664918 /nfs/dbraw/zinc/66/49/18/1261664918.db2.gz LHYQCMKLEFLZSY-HLNSBACISA-N 1 0 366.462 0.737 10 5 FCBERO CN(CCC[NH2+]CC(=O)N(C)CC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483463998 1263443491 /nfs/dbraw/zinc/44/34/91/1263443491.db2.gz CAPKRQWWLQLFJN-NXEZZACHSA-N 1 0 354.329 0.110 10 5 FCBERO C[N@H+](CC(=O)Nc1ccon1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485756135 1263513707 /nfs/dbraw/zinc/51/37/07/1263513707.db2.gz AHFKARUTHURIQR-VXGBXAGGSA-N 1 0 351.363 0.201 10 5 FCBERO CCC[N@H+](C)CCC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001492174284 1263643206 /nfs/dbraw/zinc/64/32/06/1263643206.db2.gz QUDBRZXLBJRRGX-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CCN1CCCC1=O ZINC001319877098 1263740037 /nfs/dbraw/zinc/74/00/37/1263740037.db2.gz WLEVNFFIGOBDQM-HZPDHXFCSA-N 1 0 366.462 0.835 10 5 FCBERO Cc1ccc(CNC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001499220882 1264015660 /nfs/dbraw/zinc/01/56/60/1264015660.db2.gz GSXGPFYUCSTCGG-HUUCEWRRSA-N 1 0 360.414 0.515 10 5 FCBERO CN(CC1CC1)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001501735228 1264143468 /nfs/dbraw/zinc/14/34/68/1264143468.db2.gz FWYVIWLJDGKGJH-HUUCEWRRSA-N 1 0 364.446 0.444 10 5 FCBERO CC1([NH2+]CC(=O)Nc2ccon2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001502779272 1264182164 /nfs/dbraw/zinc/18/21/64/1264182164.db2.gz SYVOANAYMYGPJI-GHMZBOCLSA-N 1 0 351.363 0.249 10 5 FCBERO C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCO1 ZINC001334589033 1267093977 /nfs/dbraw/zinc/09/39/77/1267093977.db2.gz XBLOUJVFIRFXKS-CYBMUJFWSA-N 1 0 352.391 0.326 10 5 FCBERO C[NH+]1CCC(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)CC1 ZINC001531603390 1267142764 /nfs/dbraw/zinc/14/27/64/1267142764.db2.gz BHGOHNUIDMBJPI-ZIAGYGMSSA-N 1 0 352.435 0.539 10 5 FCBERO C[NH+]1CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)(c2ccccc2)CC1 ZINC001533988235 1267247569 /nfs/dbraw/zinc/24/75/69/1267247569.db2.gz IKGJJZLJAPKUCH-UHFFFAOYSA-N 1 0 358.402 0.966 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2C1 ZINC001538046034 1267390746 /nfs/dbraw/zinc/39/07/46/1267390746.db2.gz GMBFGXFPMCVDJG-NZVBXONLSA-N 1 0 372.381 0.647 10 5 FCBERO COc1cc(CCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC001540521249 1267450537 /nfs/dbraw/zinc/45/05/37/1267450537.db2.gz WJBGSQYLLQVSCG-YVEFUNNKSA-N 1 0 367.402 0.726 10 5 FCBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC001542841848 1267508694 /nfs/dbraw/zinc/50/86/94/1267508694.db2.gz JFZRWPYUSWAFKQ-UHFFFAOYSA-N 1 0 361.402 0.678 10 5 FCBERO CC(C)N(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001338760002 1268079772 /nfs/dbraw/zinc/07/97/72/1268079772.db2.gz JDDGKNMCKAGLLR-HUUCEWRRSA-N 1 0 354.451 0.689 10 5 FCBERO CC[N@@H+]1CC[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001557064599 1268923949 /nfs/dbraw/zinc/92/39/49/1268923949.db2.gz CMTKORBXXBHSJM-CQSZACIVSA-N 1 0 370.431 0.426 10 5 FCBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1(C)C ZINC001570615684 1269904248 /nfs/dbraw/zinc/90/42/48/1269904248.db2.gz FJKBUQVJEDDXTH-QWHCGFSZSA-N 1 0 370.431 0.701 10 5 FCBERO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)Nc1ccccc1F ZINC001712946558 1287259321 /nfs/dbraw/zinc/25/93/21/1287259321.db2.gz ZJJRNMSJIBCNTN-BXUZGUMPSA-N 1 0 352.366 0.868 10 5 FCBERO Cc1cc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1C ZINC001713068127 1287262684 /nfs/dbraw/zinc/26/26/84/1287262684.db2.gz JXRDXVJEFTZANZ-HZPDHXFCSA-N 1 0 364.450 0.018 10 5 FCBERO Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1F ZINC001713159348 1287267643 /nfs/dbraw/zinc/26/76/43/1287267643.db2.gz XODZUXADWJQTTO-RGCMKSIDSA-N 1 0 364.377 0.975 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)NCc1ccco1 ZINC001714133060 1287312775 /nfs/dbraw/zinc/31/27/75/1287312775.db2.gz HYHNQGPVMRVQOI-ZIAGYGMSSA-N 1 0 364.402 0.580 10 5 FCBERO CN(CC[NH2+]CC(=O)NCc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714704596 1287330774 /nfs/dbraw/zinc/33/07/74/1287330774.db2.gz TZXZJHIKJIDEFP-ZIAGYGMSSA-N 1 0 368.821 0.669 10 5 FCBERO O=C(C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1cnccn1 ZINC001715183052 1287345752 /nfs/dbraw/zinc/34/57/52/1287345752.db2.gz QJYZDHZDDRSAIY-FDYHWXHSSA-N 1 0 362.390 0.097 10 5 FCBERO CC(C)NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001716725996 1287388702 /nfs/dbraw/zinc/38/87/02/1287388702.db2.gz UTIFNYQOUHTFEI-ZIAGYGMSSA-N 1 0 352.435 0.491 10 5 FCBERO O=C(NCC1([NH2+]Cc2cc3n(n2)CCC3)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716904357 1287393002 /nfs/dbraw/zinc/39/30/02/1287393002.db2.gz JOHVWULAMXYOTD-HUUCEWRRSA-N 1 0 363.418 0.250 10 5 FCBERO CCCNC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001717347597 1287419281 /nfs/dbraw/zinc/41/92/81/1287419281.db2.gz AYAJQVMCWRIZCP-HUUCEWRRSA-N 1 0 366.462 0.882 10 5 FCBERO Cc1nsc(C)c1C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717350761 1287419308 /nfs/dbraw/zinc/41/93/08/1287419308.db2.gz QEUHLDCGJVTNBM-TZMCWYRMSA-N 1 0 368.459 0.868 10 5 FCBERO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCNC(=O)C1CC1)C2 ZINC001717631392 1287430809 /nfs/dbraw/zinc/43/08/09/1287430809.db2.gz HSPVCWVLGMUVKW-DTDBQYNISA-N 1 0 364.446 0.348 10 5 FCBERO CN(CC(C)(C)CNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001718124528 1287461504 /nfs/dbraw/zinc/46/15/04/1287461504.db2.gz QGSDMVCICXZSGN-ZIAGYGMSSA-N 1 0 368.478 0.984 10 5 FCBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC001585786757 1282244262 /nfs/dbraw/zinc/24/42/62/1282244262.db2.gz HGQZFUDLRAFLKH-AWEZNQCLSA-N 1 0 363.418 0.435 10 5 FCBERO C[C@@H](CN1CCOCC1)C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001587297513 1282345929 /nfs/dbraw/zinc/34/59/29/1282345929.db2.gz XFGYCXLEKJKWEP-SUMWQHHRSA-N 1 0 351.403 0.887 10 5 FCBERO Cc1c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001636278566 1282478695 /nfs/dbraw/zinc/47/86/95/1282478695.db2.gz MXWIEYIVQBRWCU-HNNXBMFYSA-N 1 0 352.347 0.950 10 5 FCBERO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001636979315 1282548966 /nfs/dbraw/zinc/54/89/66/1282548966.db2.gz RFWAXCXTUZHJHL-KRWDZBQOSA-N 1 0 361.402 0.882 10 5 FCBERO COc1cc(OCC(=O)NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC001640857524 1282909568 /nfs/dbraw/zinc/90/95/68/1282909568.db2.gz ODTPEMXLCNSXRJ-UHFFFAOYSA-N 1 0 353.375 0.555 10 5 FCBERO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001641852157 1282976267 /nfs/dbraw/zinc/97/62/67/1282976267.db2.gz BGIDAUSNWPLBRK-GFCCVEGCSA-N 1 0 369.443 0.866 10 5 FCBERO C[NH+](C)CC1(C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001703518949 1286115555 /nfs/dbraw/zinc/11/55/55/1286115555.db2.gz PXFYVZNEYWDOFH-ZIAGYGMSSA-N 1 0 352.435 0.348 10 5 FCBERO C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)(C)C ZINC001703880284 1286159511 /nfs/dbraw/zinc/15/95/11/1286159511.db2.gz WLHUJFFUIVWNDN-LXTVHRRPSA-N 1 0 366.462 0.831 10 5 FCBERO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001731445153 1288557665 /nfs/dbraw/zinc/55/76/65/1288557665.db2.gz YFBZKNYTHKIPJM-QHSBEEBCSA-N 1 0 362.386 0.536 10 5 FCBERO CCc1onc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001733467009 1288611432 /nfs/dbraw/zinc/61/14/32/1288611432.db2.gz NVDIIEPEUPPLDJ-TZMCWYRMSA-N 1 0 366.418 0.966 10 5 FCBERO Cc1cncc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001733578274 1288618925 /nfs/dbraw/zinc/61/89/25/1288618925.db2.gz DEDKZMYMLVCTHP-IAGOWNOFSA-N 1 0 361.446 0.725 10 5 FCBERO CCC1([NH2+]CCN2CCNC2=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733802542 1288630236 /nfs/dbraw/zinc/63/02/36/1288630236.db2.gz DJQABUJUFHGPSA-CHWSQXEVSA-N 1 0 353.423 0.038 10 5 FCBERO C[NH+](C)C1(C(=O)NCCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CCC1 ZINC001735627544 1288760536 /nfs/dbraw/zinc/76/05/36/1288760536.db2.gz QVTHWIWNNUQKCD-HUUCEWRRSA-N 1 0 364.446 0.801 10 5 FCBERO CN1CC[C@H]([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)C1=O ZINC001612509362 1289680976 /nfs/dbraw/zinc/68/09/76/1289680976.db2.gz DXOCMAQZMPHQCO-ZDUSSCGKSA-N 1 0 362.390 0.196 10 5 FCBERO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC001618485015 1289912722 /nfs/dbraw/zinc/91/27/22/1289912722.db2.gz NIJATHPDYPQFTH-DYVFJYSZSA-N 1 0 363.418 0.849 10 5 FCBERO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cnc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC001625767842 1290367157 /nfs/dbraw/zinc/36/71/57/1290367157.db2.gz GHGKJYVZQVXAFA-OKILXGFUSA-N 1 0 362.434 0.860 10 5 FCBERO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001626354263 1290392332 /nfs/dbraw/zinc/39/23/32/1290392332.db2.gz RXQMKPLKPKPZKQ-HNNXBMFYSA-N 1 0 361.402 0.731 10 5 FCBERO COC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001643279013 1290870673 /nfs/dbraw/zinc/87/06/73/1290870673.db2.gz MWVIENPQZMEGJQ-OLZOCXBDSA-N 1 0 350.375 0.812 10 5 FCBERO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCC1OCCO1 ZINC001643564761 1290905307 /nfs/dbraw/zinc/90/53/07/1290905307.db2.gz HNLOFPIRVMSHLW-UHFFFAOYSA-N 1 0 359.404 0.568 10 5 FCBERO COC(=O)c1cnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])c1 ZINC001651494836 1291224908 /nfs/dbraw/zinc/22/49/08/1291224908.db2.gz CBIAZFPSLSRSNV-STQMWFEESA-N 1 0 350.375 0.812 10 5 FCBERO COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC001654057284 1291391318 /nfs/dbraw/zinc/39/13/18/1291391318.db2.gz VRUIYYDOMIMQDN-MNOVXSKESA-N 1 0 356.301 0.024 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)CCNC(=O)OC(C)(C)C ZINC001654085995 1291392862 /nfs/dbraw/zinc/39/28/62/1291392862.db2.gz YNSXCMGKHPPAHJ-UHFFFAOYSA-N 1 0 357.411 0.919 10 5 FCBERO NS(=O)(=O)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001654975466 1291447956 /nfs/dbraw/zinc/44/79/56/1291447956.db2.gz SJWZMGBZLLALGQ-NSHDSACASA-N 1 0 356.404 0.534 10 5 FCBERO CN(Cc1cccs1)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001661593525 1291702003 /nfs/dbraw/zinc/70/20/03/1291702003.db2.gz KQUZUEBDERKCPO-ZMJPVWNMSA-N 1 0 366.443 0.609 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@@H](CO)C1 ZINC001196760089 853010471 /nfs/dbraw/zinc/01/04/71/853010471.db2.gz SJTBRZOKLZVSFR-CYBMUJFWSA-N 1 0 352.391 0.540 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001198326319 853250138 /nfs/dbraw/zinc/25/01/38/853250138.db2.gz CIPPZSNSXVMQKO-LBPRGKRZSA-N 1 0 370.431 0.842 10 5 FCBERO CN(CC[NH2+]CC(=O)N(C1CC1)C1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267370653 859504519 /nfs/dbraw/zinc/50/45/19/859504519.db2.gz CGPHOFGTHRGHKE-HUUCEWRRSA-N 1 0 352.435 0.633 10 5 FCBERO Cc1nc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001274515225 860767778 /nfs/dbraw/zinc/76/77/78/860767778.db2.gz DXEMZCPAOJBKPT-TZMCWYRMSA-N 1 0 368.459 0.868 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1)NCC1CC1 ZINC001282607413 864364897 /nfs/dbraw/zinc/36/48/97/864364897.db2.gz NLAVAULMPBAMEP-ZIAGYGMSSA-N 1 0 352.435 0.587 10 5 FCBERO CCC(CC)NC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283307638 864491900 /nfs/dbraw/zinc/49/19/00/864491900.db2.gz PZIJTQCILPIQNK-HUUCEWRRSA-N 1 0 354.451 0.879 10 5 FCBERO CN(CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)CC[NH+](C)C ZINC001285300145 864620284 /nfs/dbraw/zinc/62/02/84/864620284.db2.gz VHZDORRVHHJZNH-HUUCEWRRSA-N 1 0 354.451 0.690 10 5 FCBERO C[NH+](C)CCCCC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001293830653 865809579 /nfs/dbraw/zinc/80/95/79/865809579.db2.gz GFCOVQRTRIIFFK-HUUCEWRRSA-N 1 0 354.451 0.738 10 5 FCBERO C[N@@H+]1C[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3C[C@@H]3CCOC3)C[C@]2(C)C1 ZINC001349236577 866274837 /nfs/dbraw/zinc/27/48/37/866274837.db2.gz BMMWXSMOECTMCR-ZENOOKHLSA-N 1 0 350.423 0.479 10 5 FCBERO O=C(C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC001316915795 867508583 /nfs/dbraw/zinc/50/85/83/867508583.db2.gz YQZWYSCEAOQFPK-HUUCEWRRSA-N 1 0 352.435 0.635 10 5 FCBERO CN(CCN1CC[NH+](CC2CC(F)(F)C2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317818943 867561897 /nfs/dbraw/zinc/56/18/97/867561897.db2.gz MOZQHMFJZAANOJ-ZIAGYGMSSA-N 1 0 360.405 0.773 10 5 FCBERO CC[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2C[C@@H]2CCOC2)CC1 ZINC001344483491 870903103 /nfs/dbraw/zinc/90/31/03/870903103.db2.gz ASTXJGIGDHRGSP-AWEZNQCLSA-N 1 0 352.439 0.666 10 5 FCBERO CC1([NH2+]CC(=O)Nc2nncs2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327981307 871168023 /nfs/dbraw/zinc/16/80/23/871168023.db2.gz BQSOPEYDTBBUPG-NXEZZACHSA-N 1 0 368.419 0.113 10 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C[NH+](C)C1(CNC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275386581 212017406 /nfs/dbraw/zinc/01/74/06/212017406.db2.gz BXSOVJIEDXESTJ-HUUCEWRRSA-N 1 0 366.418 0.773 10 5 FCBERO Cc1cn2c(n1)CN(C(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)CC2 ZINC000374660936 217154785 /nfs/dbraw/zinc/15/47/85/217154785.db2.gz GSIKFEQYBGLLSC-UHFFFAOYSA-N 1 0 369.337 0.738 10 5 FCBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181691240 209120954 /nfs/dbraw/zinc/12/09/54/209120954.db2.gz CMUMVPDNYGSFQT-AWEZNQCLSA-N 1 0 365.415 0.972 10 5 FCBERO Cn1cc([C@@H]2CNCCN2S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000181688684 209119825 /nfs/dbraw/zinc/11/98/25/209119825.db2.gz OCPWWINUWROLQK-LBPRGKRZSA-N 1 0 369.378 0.803 10 5 FCBERO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000452389779 249317158 /nfs/dbraw/zinc/31/71/58/249317158.db2.gz MRWDRQAQHYOHFS-LBPRGKRZSA-N 1 0 365.386 0.943 10 5 FCBERO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]2C1 ZINC000470462235 250044934 /nfs/dbraw/zinc/04/49/34/250044934.db2.gz QORXLMBGPLOLDO-FRRDWIJNSA-N 1 0 362.386 0.812 10 5 FCBERO NS(=O)(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131340 488158550 /nfs/dbraw/zinc/15/85/50/488158550.db2.gz NJPHDQIYCKWZRX-NSHDSACASA-N 1 0 358.420 0.501 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000075969103 488400533 /nfs/dbraw/zinc/40/05/33/488400533.db2.gz QQIDPZHPRFWYSB-ZBFHGGJFSA-N 1 0 353.423 0.339 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000191801795 488421337 /nfs/dbraw/zinc/42/13/37/488421337.db2.gz OQXFLHBIMVWJLA-UHFFFAOYSA-N 1 0 364.406 0.191 10 5 FCBERO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000191835604 488421375 /nfs/dbraw/zinc/42/13/75/488421375.db2.gz PAVIGCSACVFOBG-LBPRGKRZSA-N 1 0 353.423 0.976 10 5 FCBERO Cn1cc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CO)CCC2)cn1 ZINC000569891138 491201404 /nfs/dbraw/zinc/20/14/04/491201404.db2.gz RQLPISDLPMPQHZ-GJZGRUSLSA-N 1 0 364.406 0.379 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000271470027 488521787 /nfs/dbraw/zinc/52/17/87/488521787.db2.gz YMQPAMXLUHVEQQ-UHFFFAOYSA-N 1 0 374.401 0.550 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262155943 488553792 /nfs/dbraw/zinc/55/37/92/488553792.db2.gz GLSSGTQXPGMJPX-CYBMUJFWSA-N 1 0 370.431 0.272 10 5 FCBERO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262295709 488562190 /nfs/dbraw/zinc/56/21/90/488562190.db2.gz PBMPRKZEUZCFHG-JOYOIKCWSA-N 1 0 358.192 0.596 10 5 FCBERO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000263751442 488624239 /nfs/dbraw/zinc/62/42/39/488624239.db2.gz SUMHYJRSHFNQPG-CYBMUJFWSA-N 1 0 364.406 0.443 10 5 FCBERO NS(=O)(=O)c1cccc(NC[C@@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000273499435 488654815 /nfs/dbraw/zinc/65/48/15/488654815.db2.gz RJEYDKOOTLVBTL-LLVKDONJSA-N 1 0 358.420 0.501 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000264379443 488668970 /nfs/dbraw/zinc/66/89/70/488668970.db2.gz FCSONWKBACEGQU-CYBMUJFWSA-N 1 0 362.434 0.695 10 5 FCBERO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000274485175 488712567 /nfs/dbraw/zinc/71/25/67/488712567.db2.gz CBPCVYVYMBVQPF-HNNXBMFYSA-N 1 0 364.402 0.288 10 5 FCBERO Cc1c(C(=O)NCCCC[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266835930 488735657 /nfs/dbraw/zinc/73/56/57/488735657.db2.gz MCYMZMDGXUPJGF-UHFFFAOYSA-N 1 0 358.420 0.622 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000154355442 488741748 /nfs/dbraw/zinc/74/17/48/488741748.db2.gz CYYRWTUTIONZIO-OAHLLOKOSA-N 1 0 357.432 0.861 10 5 FCBERO CN1CCC(CNC(=O)Cn2ccc([N+](=O)[O-])n2)([NH+]2CCCCC2)CC1 ZINC000172753038 488837490 /nfs/dbraw/zinc/83/74/90/488837490.db2.gz PNFMMQIUVJYGIH-UHFFFAOYSA-N 1 0 364.450 0.858 10 5 FCBERO O=c1nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289398535 489064611 /nfs/dbraw/zinc/06/46/11/489064611.db2.gz KTZDJMMPGXXRMZ-WCQYABFASA-N 1 0 363.374 0.626 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000371585875 489489415 /nfs/dbraw/zinc/48/94/15/489489415.db2.gz MSPLCAZBGRSRQY-OAHLLOKOSA-N 1 0 364.450 0.728 10 5 FCBERO CNS(=O)(=O)c1ccc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000371801266 489510345 /nfs/dbraw/zinc/51/03/45/489510345.db2.gz FSWJDDKXQKVYJG-NSHDSACASA-N 1 0 356.404 0.024 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427162061 489597108 /nfs/dbraw/zinc/59/71/08/489597108.db2.gz ZDMULIVDCVAVHM-OAHLLOKOSA-N 1 0 351.407 0.895 10 5 FCBERO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000495049233 489924931 /nfs/dbraw/zinc/92/49/31/489924931.db2.gz RCPWYPHFINUMDP-ZDUSSCGKSA-N 1 0 370.431 0.520 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420480572 489983511 /nfs/dbraw/zinc/98/35/11/489983511.db2.gz PKJFNPXHHLCCGP-QWRGUYRKSA-N 1 0 371.415 0.987 10 5 FCBERO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000420969151 490036106 /nfs/dbraw/zinc/03/61/06/490036106.db2.gz BIZNACOYBARLKK-UHFFFAOYSA-N 1 0 373.431 0.346 10 5 FCBERO CNC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000420980922 490038632 /nfs/dbraw/zinc/03/86/32/490038632.db2.gz VFZQDTBKRMLFSO-LLVKDONJSA-N 1 0 350.375 1.000 10 5 FCBERO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411374045 490441485 /nfs/dbraw/zinc/44/14/85/490441485.db2.gz BFDPNSDIHBAZHV-CYBMUJFWSA-N 1 0 356.404 0.676 10 5 FCBERO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000487091270 490692276 /nfs/dbraw/zinc/69/22/76/490692276.db2.gz HOKUVVMWEUELRV-WFASDCNBSA-N 1 0 362.434 0.551 10 5 FCBERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000514085854 490762067 /nfs/dbraw/zinc/76/20/67/490762067.db2.gz ZMHQVFNLJJUJMW-CHWSQXEVSA-N 1 0 369.447 0.758 10 5 FCBERO COCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000518399989 490939892 /nfs/dbraw/zinc/93/98/92/490939892.db2.gz ZFYZIDCADNZSQD-LBPRGKRZSA-N 1 0 368.390 0.487 10 5 FCBERO Cc1ncc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000518804845 490952145 /nfs/dbraw/zinc/95/21/45/490952145.db2.gz OGSFBGSEDIZCQY-UHFFFAOYSA-N 1 0 351.388 0.761 10 5 FCBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000596359328 491984721 /nfs/dbraw/zinc/98/47/21/491984721.db2.gz ALUMWHQYQQTVPL-LBPRGKRZSA-N 1 0 373.479 0.926 10 5 FCBERO [NH3+]C1CCC(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000573203024 491418934 /nfs/dbraw/zinc/41/89/34/491418934.db2.gz SUNNIPSVQJHORU-UHFFFAOYSA-N 1 0 363.418 0.925 10 5 FCBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCCN1CCO ZINC000578132293 491670601 /nfs/dbraw/zinc/67/06/01/491670601.db2.gz WZPWJPATJXWFQQ-HUUCEWRRSA-N 1 0 353.419 0.771 10 5 FCBERO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000589929528 491767490 /nfs/dbraw/zinc/76/74/90/491767490.db2.gz JSAMKCWXEYSSRX-GXFFZTMASA-N 1 0 369.399 0.706 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[C@@H]2C1 ZINC000589929929 491767531 /nfs/dbraw/zinc/76/75/31/491767531.db2.gz ORPACKXUQZHJSM-CMPLNLGQSA-N 1 0 369.399 0.691 10 5 FCBERO C[N@@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590443470 491776880 /nfs/dbraw/zinc/77/68/80/491776880.db2.gz IWVOHQXRJOPTIY-WCQYABFASA-N 1 0 368.415 0.036 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592082239 491831092 /nfs/dbraw/zinc/83/10/92/491831092.db2.gz IHIPBAIXUXFKDD-NSHDSACASA-N 1 0 356.404 0.335 10 5 FCBERO O=C(N1CC[NH2+]CC1)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600714165 491878251 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FIBVPQFBYJQRRB-CYBMUJFWSA-N 1 0 371.415 1.000 10 5 FCBERO Cn1cc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C2(CO)CCC2)cn1 ZINC000595495605 491937334 /nfs/dbraw/zinc/93/73/34/491937334.db2.gz VQJGFZYQZMVOBU-MRXNPFEDSA-N 1 0 361.402 0.984 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000596066031 491974328 /nfs/dbraw/zinc/97/43/28/491974328.db2.gz NVCKLXSZUCRGNE-BZUAXINKSA-N 1 0 365.434 0.385 10 5 FCBERO CN(CCC[NH+](C)C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000596425882 491985249 /nfs/dbraw/zinc/98/52/49/491985249.db2.gz XYLKOTNLERWWSK-UHFFFAOYSA-N 1 0 359.452 0.538 10 5 FCBERO COC(=O)[C@@H](C)NC(=O)c1ccc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000596453014 491986422 /nfs/dbraw/zinc/98/64/22/491986422.db2.gz HXRUOANQJBNHOD-LLVKDONJSA-N 1 0 364.402 0.884 10 5 FCBERO NS(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000596539688 491989311 /nfs/dbraw/zinc/98/93/11/491989311.db2.gz PVCIMHNGKGBJNI-ZDUSSCGKSA-N 1 0 370.431 0.278 10 5 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Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000599237933 492147133 /nfs/dbraw/zinc/14/71/33/492147133.db2.gz HYJTVLMRJJSBAW-GFCCVEGCSA-N 1 0 357.436 0.967 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000599237936 492147262 /nfs/dbraw/zinc/14/72/62/492147262.db2.gz HYJTVLMRJJSBAW-LBPRGKRZSA-N 1 0 357.436 0.967 10 5 FCBERO CC1(N2CCOCC2)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599622539 492194943 /nfs/dbraw/zinc/19/49/43/492194943.db2.gz LEEMHHYETZOCEC-OAHLLOKOSA-N 1 0 353.423 0.339 10 5 FCBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]21 ZINC000599656395 492196902 /nfs/dbraw/zinc/19/69/02/492196902.db2.gz IPQDNJZBMAOFTB-GBJTYRQASA-N 1 0 352.391 0.816 10 5 FCBERO C[C@@H]1CC[C@H](NC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599916786 492217442 /nfs/dbraw/zinc/21/74/42/492217442.db2.gz DNDYTKGYPNXRGP-NEPJUHHUSA-N 1 0 370.431 0.808 10 5 FCBERO CN(C)c1nccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cn3C)CC2)n1 ZINC000610049133 492232143 /nfs/dbraw/zinc/23/21/43/492232143.db2.gz HSEPBQFJCVFZQX-UHFFFAOYSA-N 1 0 359.390 0.752 10 5 FCBERO COc1cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])cc1F ZINC000593050562 546907936 /nfs/dbraw/zinc/90/79/36/546907936.db2.gz FTJWZSZQUQBRDH-UHFFFAOYSA-N 1 0 354.382 0.948 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498164 546915790 /nfs/dbraw/zinc/91/57/90/546915790.db2.gz WTHODUHHBRAYJK-JTQLQIEISA-N 1 0 357.388 0.611 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000591328851 546934392 /nfs/dbraw/zinc/93/43/92/546934392.db2.gz XNJSCCZCAVEZLT-YGRLFVJLSA-N 1 0 369.399 0.706 10 5 FCBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592183815 546945486 /nfs/dbraw/zinc/94/54/86/546945486.db2.gz FUSYSCMQCJMRGI-ZYHUDNBSSA-N 1 0 365.312 0.153 10 5 FCBERO COc1c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000592871538 546958719 /nfs/dbraw/zinc/95/87/19/546958719.db2.gz JJKRWVQJLUPXRR-LLVKDONJSA-N 1 0 350.375 0.795 10 5 FCBERO C[NH+](C)CCN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1=O ZINC000593486010 546968731 /nfs/dbraw/zinc/96/87/31/546968731.db2.gz GQYLFHMSRVBKKR-UHFFFAOYSA-N 1 0 372.223 0.963 10 5 FCBERO CN(CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000593534632 546971546 /nfs/dbraw/zinc/97/15/46/546971546.db2.gz NSYHZVPINBZYQG-UHFFFAOYSA-N 1 0 371.463 0.636 10 5 FCBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593622745 546984442 /nfs/dbraw/zinc/98/44/42/546984442.db2.gz UXJQPKIZBZNZPC-UHFFFAOYSA-N 1 0 370.431 0.298 10 5 FCBERO CCO[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593730211 546990252 /nfs/dbraw/zinc/99/02/52/546990252.db2.gz FSFOSGAPVKOQDB-UKRRQHHQSA-N 1 0 357.432 0.763 10 5 FCBERO COCC[NH2+]C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000593767345 546990623 /nfs/dbraw/zinc/99/06/23/546990623.db2.gz PTHREEVKRBNWEL-UHFFFAOYSA-N 1 0 350.375 0.760 10 5 FCBERO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000593917096 546995157 /nfs/dbraw/zinc/99/51/57/546995157.db2.gz VYEOTMUMYJZNJF-BXUZGUMPSA-N 1 0 371.415 0.434 10 5 FCBERO CCN(CC)S(=O)(=O)c1ccc(OC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000594698598 547003350 /nfs/dbraw/zinc/00/33/50/547003350.db2.gz NKRBWBWZOFROML-LBPRGKRZSA-N 1 0 373.431 0.993 10 5 FCBERO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594774515 547008264 /nfs/dbraw/zinc/00/82/64/547008264.db2.gz FVANTBMVDVCILP-YRGRVCCFSA-N 1 0 370.431 0.862 10 5 FCBERO Cc1cc(S(=O)(=O)N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000917892528 667091609 /nfs/dbraw/zinc/09/16/09/667091609.db2.gz ZDEDUQWCRWELGF-UHFFFAOYSA-N 1 0 374.488 0.833 10 5 FCBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762555230 667921295 /nfs/dbraw/zinc/92/12/95/667921295.db2.gz OQZIGXFPZLOVNU-ZDUSSCGKSA-N 1 0 363.823 0.902 10 5 FCBERO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)CO ZINC000828834858 669672058 /nfs/dbraw/zinc/67/20/58/669672058.db2.gz XEFTWKAUWKGTKG-ZIAGYGMSSA-N 1 0 350.419 0.850 10 5 FCBERO Cc1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1F ZINC000842693324 670713208 /nfs/dbraw/zinc/71/32/08/670713208.db2.gz DTRNECXESPCKNM-UHFFFAOYSA-N 1 0 374.394 0.095 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844033499 670885159 /nfs/dbraw/zinc/88/51/59/670885159.db2.gz FFFWIKMWXGRJCM-FZMZJTMJSA-N 1 0 350.375 0.207 10 5 FCBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000844227427 670911938 /nfs/dbraw/zinc/91/19/38/670911938.db2.gz YMJZXEHGTIDSSX-JTQLQIEISA-N 1 0 362.839 0.820 10 5 FCBERO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cs1 ZINC000851852677 671473881 /nfs/dbraw/zinc/47/38/81/671473881.db2.gz PPNPOLVWUBHSJZ-NSHDSACASA-N 1 0 361.445 0.876 10 5 FCBERO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cs1 ZINC000851852675 671474009 /nfs/dbraw/zinc/47/40/09/671474009.db2.gz PPNPOLVWUBHSJZ-LLVKDONJSA-N 1 0 361.445 0.876 10 5 FCBERO [NH3+]C[C@H]1CC(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)=NO1 ZINC000852816825 671526497 /nfs/dbraw/zinc/52/64/97/671526497.db2.gz HBXJXTCFXQWKGE-SECBINFHSA-N 1 0 367.387 0.044 10 5 FCBERO C[NH+](C)CCOCCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863507206 672132602 /nfs/dbraw/zinc/13/26/02/672132602.db2.gz PYKSXNUMWMRKSL-MRXNPFEDSA-N 1 0 350.375 0.940 10 5 FCBERO O=C(N1CC[NH2+]CC1)N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000863546448 672135646 /nfs/dbraw/zinc/13/56/46/672135646.db2.gz IXOSLTPZGWWLLB-UHFFFAOYSA-N 1 0 351.382 0.877 10 5 FCBERO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)Nc1nccs1 ZINC001481896715 1187545879 /nfs/dbraw/zinc/54/58/79/1187545879.db2.gz ZWSMWKODNYKJQR-GHMZBOCLSA-N 1 0 367.431 0.765 10 5 FCBERO O=C(C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC001268540070 1187583462 /nfs/dbraw/zinc/58/34/62/1187583462.db2.gz BJERRVXTENVWHZ-WXVGIEASSA-N 1 0 368.340 0.831 10 5 FCBERO CN(CCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268791113 1187780251 /nfs/dbraw/zinc/78/02/51/1187780251.db2.gz LBDLLWXDIAHQDB-TZMCWYRMSA-N 1 0 359.386 0.939 10 5 FCBERO C[NH+](C)CCN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1=O ZINC000593053102 1196605903 /nfs/dbraw/zinc/60/59/03/1196605903.db2.gz WZFXYNLFCSZDEM-UHFFFAOYSA-N 1 0 363.418 0.629 10 5 FCBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000592998733 1196745559 /nfs/dbraw/zinc/74/55/59/1196745559.db2.gz FUOSDEIFROANMH-UHFFFAOYSA-N 1 0 364.402 0.587 10 5 FCBERO Cc1c(CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cccc1[N+](=O)[O-] ZINC000593399342 1196779453 /nfs/dbraw/zinc/77/94/53/1196779453.db2.gz YZFYVUZEYOUFBP-UHFFFAOYSA-N 1 0 363.418 0.819 10 5 FCBERO CCO[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593769959 1196819518 /nfs/dbraw/zinc/81/95/18/1196819518.db2.gz GYNCQTYVFJERFM-QMTHXVAHSA-N 1 0 366.374 0.364 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027481 1196847197 /nfs/dbraw/zinc/84/71/97/1196847197.db2.gz POXSBCKMZBQFCC-UONOGXRCSA-N 1 0 364.402 0.683 10 5 FCBERO COc1ccc(NC(=O)CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594026466 1196847311 /nfs/dbraw/zinc/84/73/11/1196847311.db2.gz CXFUXPBHMGNPEX-QWHCGFSZSA-N 1 0 364.402 0.683 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001135112850 1203043999 /nfs/dbraw/zinc/04/39/99/1203043999.db2.gz MVLWSYUOWFWEDB-UHFFFAOYSA-N 1 0 357.370 0.937 10 5 FCBERO COc1cc(OC)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000818964770 1203145365 /nfs/dbraw/zinc/14/53/65/1203145365.db2.gz GVMIUICEHYGXKT-GFCCVEGCSA-N 1 0 366.374 0.968 10 5 FCBERO C[NH+](C)CCN1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000844714127 1204429689 /nfs/dbraw/zinc/42/96/89/1204429689.db2.gz JQUAVPFNYHEGGJ-UHFFFAOYSA-N 1 0 373.417 0.517 10 5 FCBERO C[C@@H](CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)N1CC[NH+](C)CC1 ZINC001144220639 1204437078 /nfs/dbraw/zinc/43/70/78/1204437078.db2.gz OZKUADXBTRXWTG-ZDUSSCGKSA-N 1 0 373.417 0.541 10 5 FCBERO COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001175810932 1206308289 /nfs/dbraw/zinc/30/82/89/1206308289.db2.gz MYMLPOINPMBFGW-MRXNPFEDSA-N 1 0 360.370 0.997 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001198755438 1208288889 /nfs/dbraw/zinc/28/88/89/1208288889.db2.gz YUHFXKFRRQNAQB-CHWSQXEVSA-N 1 0 367.402 0.855 10 5 FCBERO C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000852870782 1209570885 /nfs/dbraw/zinc/57/08/85/1209570885.db2.gz XYZCXUJCQLYMAZ-UHFFFAOYSA-N 1 0 363.418 0.897 10 5 FCBERO O=Cc1ccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c([N+](=O)[O-])c1 ZINC000854353847 1209623274 /nfs/dbraw/zinc/62/32/74/1209623274.db2.gz HOTUPFPQFGFCAU-CQSZACIVSA-N 1 0 362.386 0.292 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707322 1210001817 /nfs/dbraw/zinc/00/18/17/1210001817.db2.gz HYKZTGYXMGCTMR-LZWOXQAQSA-N 1 0 362.386 0.970 10 5 FCBERO Cc1ccc(NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001274017062 1210861497 /nfs/dbraw/zinc/86/14/97/1210861497.db2.gz QMWPWBUIXAZVIY-MZSZDEQASA-N 1 0 364.377 1.000 10 5 FCBERO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001119594493 1221938821 /nfs/dbraw/zinc/93/88/21/1221938821.db2.gz WUNCCCYRELFAHW-SJLPKXTDSA-N 1 0 362.430 0.694 10 5 FCBERO C[NH+](C)CCN1C[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1=O ZINC000911476090 1245496558 /nfs/dbraw/zinc/49/65/58/1245496558.db2.gz MMTSDBAVNZLWJD-LLVKDONJSA-N 1 0 370.356 0.899 10 5 FCBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C2 ZINC001330019062 1265927027 /nfs/dbraw/zinc/92/70/27/1265927027.db2.gz IMUWHOULYJHJNP-HDICACEKSA-N 1 0 360.414 0.712 10 5 FCBERO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001127691692 1259184507 /nfs/dbraw/zinc/18/45/07/1259184507.db2.gz ZJVQGTYARMDXPK-UHFFFAOYSA-N 1 0 362.390 0.752 10 5 FCBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001331754210 1266277610 /nfs/dbraw/zinc/27/76/10/1266277610.db2.gz OWXCDBWFQHSQEF-HNNXBMFYSA-N 1 0 360.414 0.997 10 5 FCBERO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)CC[C@@H]21 ZINC001332012149 1266315640 /nfs/dbraw/zinc/31/56/40/1266315640.db2.gz JIZYNEHENNEVTK-CJNGLKHVSA-N 1 0 358.398 0.990 10 5 FCBERO C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001472025538 1261426644 /nfs/dbraw/zinc/42/66/44/1261426644.db2.gz DSPOSKKEZKGOGL-CQSZACIVSA-N 1 0 362.386 0.777 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001472258440 1261454979 /nfs/dbraw/zinc/45/49/79/1261454979.db2.gz GJOXIHNWCCZUDT-ZIAGYGMSSA-N 1 0 351.407 0.547 10 5 FCBERO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001294065849 1262725169 /nfs/dbraw/zinc/72/51/69/1262725169.db2.gz KMIQWDXKSVSTGJ-HZPDHXFCSA-N 1 0 366.462 0.738 10 5 FCBERO C[NH+](C)CCCC(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001297708779 1262888325 /nfs/dbraw/zinc/88/83/25/1262888325.db2.gz SBDGLRNREWUZCH-HUUCEWRRSA-N 1 0 366.462 0.835 10 5 FCBERO Cc1nsc(C)c1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484952495 1263493454 /nfs/dbraw/zinc/49/34/54/1263493454.db2.gz GEJOHPBLWXQHPJ-TZMCWYRMSA-N 1 0 368.459 0.868 10 5 FCBERO CC1CC[NH+](CC(=O)NCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 ZINC001497530325 1263937808 /nfs/dbraw/zinc/93/78/08/1263937808.db2.gz LXGULUPRJSMAAC-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO CN(CCC[NH2+]Cc1ncnn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001498545051 1263976779 /nfs/dbraw/zinc/97/67/79/1263976779.db2.gz DEQSMTLBTJRXAU-HUUCEWRRSA-N 1 0 358.402 0.871 10 5 FCBERO CC(C)N(C)C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001500424965 1264067258 /nfs/dbraw/zinc/06/72/58/1264067258.db2.gz YGMUDGDYKUPEEY-ZIAGYGMSSA-N 1 0 354.451 0.737 10 5 FCBERO O=C(NC1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001334767602 1267167717 /nfs/dbraw/zinc/16/77/17/1267167717.db2.gz QBXKLMUMHCGWMA-ZIAGYGMSSA-N 1 0 364.446 0.683 10 5 FCBERO CC[NH+]1CCN(CCCNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001543829653 1267562161 /nfs/dbraw/zinc/56/21/61/1267562161.db2.gz WMDXZZLUIWWWQZ-MRXNPFEDSA-N 1 0 350.419 0.772 10 5 FCBERO CCOC(=O)Cc1csc(N(CC[NH+](C)C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001544765011 1267591529 /nfs/dbraw/zinc/59/15/29/1267591529.db2.gz MLXSVMWBOJROBW-VXGBXAGGSA-N 1 0 370.431 0.809 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC001558042392 1269008554 /nfs/dbraw/zinc/00/85/54/1269008554.db2.gz CDAALFQJWPMIPN-OAHLLOKOSA-N 1 0 371.415 0.137 10 5 FCBERO CN(C(=O)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001560060420 1269184428 /nfs/dbraw/zinc/18/44/28/1269184428.db2.gz NCIXPSHELZQKKY-CALCHBBNSA-N 1 0 360.370 0.542 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001560231835 1269199517 /nfs/dbraw/zinc/19/95/17/1269199517.db2.gz CDAPNACAAYZGGR-OLZOCXBDSA-N 1 0 367.402 0.855 10 5 FCBERO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCC(F)(F)C(F)F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566971962 1269670940 /nfs/dbraw/zinc/67/09/40/1269670940.db2.gz XUJMFWQKCYJNEC-NZFPMDFQSA-N 1 0 369.315 0.615 10 5 FCBERO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC001567317512 1269687629 /nfs/dbraw/zinc/68/76/29/1269687629.db2.gz OYYHSYLIOXOTIL-QGZVFWFLSA-N 1 0 359.386 0.636 10 5 FCBERO O=C(NC1(C[NH2+]Cc2ccc(F)cn2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570300879 1269867551 /nfs/dbraw/zinc/86/75/51/1269867551.db2.gz BDEQSQOAVIXPHX-ZIAGYGMSSA-N 1 0 352.366 0.641 10 5 FCBERO O=C(NC1(CO)CC[NH+](Cc2ccc(CO)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570491919 1269893308 /nfs/dbraw/zinc/89/33/08/1269893308.db2.gz ISMOHGQESSMKGC-HZPDHXFCSA-N 1 0 363.414 0.287 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCc1ccccc1F ZINC001713192637 1287270054 /nfs/dbraw/zinc/27/00/54/1287270054.db2.gz TWVYWBLQTHWCHY-QVHKTLOISA-N 1 0 364.377 0.344 10 5 FCBERO Cc1cc(NC(=O)C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001715181009 1287346075 /nfs/dbraw/zinc/34/60/75/1287346075.db2.gz AFSAWILSYMMDME-FDYHWXHSSA-N 1 0 365.390 0.604 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CCC[NH+]1CCC2 ZINC001581372711 1279785892 /nfs/dbraw/zinc/78/58/92/1279785892.db2.gz DYRSXEFHZIKKOW-ZIAGYGMSSA-N 1 0 352.435 0.635 10 5 FCBERO Cc1ncsc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717016244 1287401789 /nfs/dbraw/zinc/40/17/89/1287401789.db2.gz YXDVMUVFMHXGAW-ZIAGYGMSSA-N 1 0 367.475 0.787 10 5 FCBERO CCC1([NH2+]CCN2CCCC2=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717237351 1287414389 /nfs/dbraw/zinc/41/43/89/1287414389.db2.gz GSAJWTWHBIIMCC-ZIAGYGMSSA-N 1 0 352.435 0.635 10 5 FCBERO COc1nccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001717452366 1287421905 /nfs/dbraw/zinc/42/19/05/1287421905.db2.gz ASOMALNYBQIQIY-CHWSQXEVSA-N 1 0 351.407 0.725 10 5 FCBERO CCO[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC001584103958 1282135732 /nfs/dbraw/zinc/13/57/32/1282135732.db2.gz AVFBUPYPFXWBHW-LLVKDONJSA-N 1 0 373.431 0.695 10 5 FCBERO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCN1CCC2(C1)OCCO2 ZINC001585224422 1282215879 /nfs/dbraw/zinc/21/58/79/1282215879.db2.gz JLTCGPGSUXQWDT-UHFFFAOYSA-N 1 0 354.338 0.495 10 5 FCBERO COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC3(C2)OCCO3)c1 ZINC001585224734 1282216213 /nfs/dbraw/zinc/21/62/13/1282216213.db2.gz MNTXVTYUDOQGKS-UHFFFAOYSA-N 1 0 351.359 0.782 10 5 FCBERO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001587975805 1282390635 /nfs/dbraw/zinc/39/06/35/1282390635.db2.gz ODGSBWKZMPFWMD-BLLLJJGKSA-N 1 0 368.438 0.352 10 5 FCBERO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001588016525 1282396668 /nfs/dbraw/zinc/39/66/68/1282396668.db2.gz IXJUBXMPPWPYET-LSDHHAIUSA-N 1 0 364.402 0.251 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC001636278106 1282478948 /nfs/dbraw/zinc/47/89/48/1282478948.db2.gz GLFCOTATSGMGOR-QGZVFWFLSA-N 1 0 365.386 0.895 10 5 FCBERO C[NH+](C)CCCC(=O)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001681268992 1283490004 /nfs/dbraw/zinc/49/00/04/1283490004.db2.gz CVRUNKCFTCNZJU-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1([NH+](C)C)CCCC1 ZINC001704884538 1286314332 /nfs/dbraw/zinc/31/43/32/1286314332.db2.gz QYJHXQAWIZDPFQ-ZIAGYGMSSA-N 1 0 354.451 0.833 10 5 FCBERO CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001724595439 1288446461 /nfs/dbraw/zinc/44/64/61/1288446461.db2.gz LDARBZJSIWMOBR-YIDVYQOGSA-N 1 0 366.462 0.878 10 5 FCBERO CC(C)CN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C(C)C ZINC001731475823 1288557471 /nfs/dbraw/zinc/55/74/71/1288557471.db2.gz CRRQIZATTSNIQA-LXTVHRRPSA-N 1 0 354.451 0.781 10 5 FCBERO CN(C(=O)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001732292016 1288580946 /nfs/dbraw/zinc/58/09/46/1288580946.db2.gz FSDXWBPRRFAYBH-HUUCEWRRSA-N 1 0 352.435 0.491 10 5 FCBERO Cc1cccc(CNC(=O)C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001733242755 1288605148 /nfs/dbraw/zinc/60/51/48/1288605148.db2.gz KBVCEIGWMZAMSF-HUUCEWRRSA-N 1 0 360.414 0.515 10 5 FCBERO C[N@H+](CCn1cncn1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733678521 1288625009 /nfs/dbraw/zinc/62/50/09/1288625009.db2.gz ZMGNLIKSJGBOCB-HZPDHXFCSA-N 1 0 358.402 0.692 10 5 FCBERO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)C1=CC[N@H+](C)CC1 ZINC001611445614 1289649684 /nfs/dbraw/zinc/64/96/84/1289649684.db2.gz OEVGZAYXUCICAI-LLVKDONJSA-N 1 0 357.374 0.951 10 5 FCBERO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001612950793 1289706760 /nfs/dbraw/zinc/70/67/60/1289706760.db2.gz WOIDVXWUFXPZHN-QMTHXVAHSA-N 1 0 357.436 0.288 10 5 FCBERO C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001612950792 1289706861 /nfs/dbraw/zinc/70/68/61/1289706861.db2.gz WOIDVXWUFXPZHN-IINYFYTJSA-N 1 0 357.436 0.288 10 5 FCBERO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001615088031 1289750543 /nfs/dbraw/zinc/75/05/43/1289750543.db2.gz GECTZCCIPVRZCE-NWDGAFQWSA-N 1 0 370.431 0.845 10 5 FCBERO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001615088030 1289750643 /nfs/dbraw/zinc/75/06/43/1289750643.db2.gz GECTZCCIPVRZCE-NEPJUHHUSA-N 1 0 370.431 0.845 10 5 FCBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC001618530009 1289917631 /nfs/dbraw/zinc/91/76/31/1289917631.db2.gz UULIOGHOBHJJMZ-RISCZKNCSA-N 1 0 353.375 0.919 10 5 FCBERO C[C@]12C[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@]1(C)C(=O)NC2=O ZINC001620488419 1289991986 /nfs/dbraw/zinc/99/19/86/1289991986.db2.gz YJCRCWJHZUKQTF-HDICACEKSA-N 1 0 372.381 0.469 10 5 FCBERO COc1cccc2c1CC[C@]2(CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620538240 1289998398 /nfs/dbraw/zinc/99/83/98/1289998398.db2.gz RXZLPSCEVANOAH-CXAGYDPISA-N 1 0 362.386 0.584 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)[C@H]2C1 ZINC001623651513 1290227621 /nfs/dbraw/zinc/22/76/21/1290227621.db2.gz APZUZNPPIFCDLY-BPNCWPANSA-N 1 0 357.374 0.641 10 5 FCBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)[C@@H]2C1 ZINC001623651514 1290228175 /nfs/dbraw/zinc/22/81/75/1290228175.db2.gz APZUZNPPIFCDLY-GDLCADMTSA-N 1 0 357.374 0.641 10 5 FCBERO CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC001626697351 1290410104 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MDFPEVNFGLFQDL-NSHDSACASA-N 1 0 370.431 0.702 10 5 FCBERO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001146196194 849548198 /nfs/dbraw/zinc/54/81/98/849548198.db2.gz IJKMGMUMFDIXNW-SNVBAGLBSA-N 1 0 372.813 0.108 10 5 FCBERO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC001171511612 850687240 /nfs/dbraw/zinc/68/72/40/850687240.db2.gz XOSVUMSTJAGLSR-UHFFFAOYSA-N 1 0 373.431 0.346 10 5 FCBERO COc1ccc(OCC[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001175955895 850778921 /nfs/dbraw/zinc/77/89/21/850778921.db2.gz QKXLUKWQZVNEFP-GFCCVEGCSA-N 1 0 373.431 0.853 10 5 FCBERO CN(C)C(=O)CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001195487219 852771248 /nfs/dbraw/zinc/77/12/48/852771248.db2.gz GNXDJSKKOHTTAI-UHFFFAOYSA-N 1 0 372.447 0.673 10 5 FCBERO CN(CC(C)(C)C[NH2+]Cc1nnc(C2CC2)[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282294802 864172882 /nfs/dbraw/zinc/17/28/82/864172882.db2.gz GXVJZJSKOBXNRX-VXGBXAGGSA-N 1 0 350.423 0.922 10 5 FCBERO O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCCCC1 ZINC001283041769 864483128 /nfs/dbraw/zinc/48/31/28/864483128.db2.gz QLMLGNMYZVOTMW-KBUPBQIOSA-N 1 0 352.435 0.539 10 5 FCBERO O=C(NCC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001285118179 864611164 /nfs/dbraw/zinc/61/11/64/864611164.db2.gz ILJOJEJVSCOJQH-CHWSQXEVSA-N 1 0 350.419 0.293 10 5 FCBERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001292247999 865709358 /nfs/dbraw/zinc/70/93/58/865709358.db2.gz HJQUKAUKHOWASS-NSHDSACASA-N 1 0 370.431 0.704 10 5 FCBERO CC(C)[N@H+](C)CC(=O)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001297603927 866043810 /nfs/dbraw/zinc/04/38/10/866043810.db2.gz DTRMYLOFLHXJBN-HUUCEWRRSA-N 1 0 354.451 0.737 10 5 FCBERO CC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001299017412 866142716 /nfs/dbraw/zinc/14/27/16/866142716.db2.gz JECWSBLXIHVLEO-LLVKDONJSA-N 1 0 370.431 0.799 10 5 FCBERO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001302833280 866359404 /nfs/dbraw/zinc/35/94/04/866359404.db2.gz RTJIXQYYONSJQV-KBPBESRZSA-N 1 0 351.407 0.594 10 5 FCBERO CN(C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001317108679 867520741 /nfs/dbraw/zinc/52/07/41/867520741.db2.gz DOVRNESIWOXDIZ-AYRXBEOTSA-N 1 0 352.435 0.680 10 5 FCBERO CCN(C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)C1CC1 ZINC001319351346 867894955 /nfs/dbraw/zinc/89/49/55/867894955.db2.gz IDLIXGGNTZZMDJ-ZIAGYGMSSA-N 1 0 352.435 0.681 10 5 FCBERO COC(=O)C1CC[NH+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001324841564 869689989 /nfs/dbraw/zinc/68/99/89/869689989.db2.gz NFEMYVXIEWDKQB-UHFFFAOYSA-N 1 0 353.379 0.333 10 5 FCBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000265305193 210091587 /nfs/dbraw/zinc/09/15/87/210091587.db2.gz OFBJKNFVSWONKP-GFCCVEGCSA-N 1 0 370.431 0.855 10 5 FCBERO C[N@H+]1C[C@H]2CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]2C1 ZINC000193604449 209314048 /nfs/dbraw/zinc/31/40/48/209314048.db2.gz DCBCKXQZQYAIQC-IYBDPMFKSA-N 1 0 373.457 0.737 10 5 FCBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423689740 247110246 /nfs/dbraw/zinc/11/02/46/247110246.db2.gz YDDPYGXDFGHIHR-GWCFXTLKSA-N 1 0 356.404 0.211 10 5 FCBERO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424069124 247166896 /nfs/dbraw/zinc/16/68/96/247166896.db2.gz UKBLGCUYCWHDQR-AWEZNQCLSA-N 1 0 359.390 0.953 10 5 FCBERO C[NH+](C)CCCNS(=O)(=O)c1ccc(N[C@@H]2CC[C@H]2O)c([N+](=O)[O-])c1 ZINC000425275309 247314166 /nfs/dbraw/zinc/31/41/66/247314166.db2.gz NMNVFQZGRSFEBX-UKRRQHHQSA-N 1 0 372.447 0.760 10 5 FCBERO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000443087392 248306328 /nfs/dbraw/zinc/30/63/28/248306328.db2.gz PQJKBCAGSUYGJF-UHFFFAOYSA-N 1 0 362.477 0.961 10 5 FCBERO COc1cc(OCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000452390205 249316392 /nfs/dbraw/zinc/31/63/92/249316392.db2.gz NUIBFQPFLNVUNY-CYBMUJFWSA-N 1 0 367.402 0.945 10 5 FCBERO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075960572 208064107 /nfs/dbraw/zinc/06/41/07/208064107.db2.gz LZOLZIQOIBPWNZ-GDBMZVCRSA-N 1 0 353.419 0.723 10 5 FCBERO Cc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000116790712 208332853 /nfs/dbraw/zinc/33/28/53/208332853.db2.gz QNLYOKACYXDSNP-HNNXBMFYSA-N 1 0 374.401 0.887 10 5 FCBERO CS(=O)(=O)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c1 ZINC000160658400 208831689 /nfs/dbraw/zinc/83/16/89/208831689.db2.gz NSJLBZUAGBCJCO-TXEJJXNPSA-N 1 0 353.400 0.965 10 5 FCBERO O=C1NC(=O)[C@]2(CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279003651 488909759 /nfs/dbraw/zinc/90/97/59/488909759.db2.gz DCNFRXCARYJBHW-BDJLRTHQSA-N 1 0 364.358 0.009 10 5 FCBERO NS(=O)(=O)c1ccc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000052308763 488163503 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0 363.422 0.094 10 5 FCBERO C[C@H](O)C[N@@H+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000246948584 488479017 /nfs/dbraw/zinc/47/90/17/488479017.db2.gz RZZSMMHIMROOGR-KGLIPLIRSA-N 1 0 350.419 0.945 10 5 FCBERO CC[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C[C@H](C)O ZINC000248444371 488496202 /nfs/dbraw/zinc/49/62/02/488496202.db2.gz BNJMATSIMKYTHC-STQMWFEESA-N 1 0 354.411 0.278 10 5 FCBERO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262794536 488593441 /nfs/dbraw/zinc/59/34/41/488593441.db2.gz STSDOAJZGFOUPY-VHSXEESVSA-N 1 0 357.388 0.642 10 5 FCBERO Cc1cc([N+](=O)[O-])cn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1=O ZINC000155802025 488759328 /nfs/dbraw/zinc/75/93/28/488759328.db2.gz LNESOJSUSJHXCU-OAHLLOKOSA-N 1 0 366.418 0.538 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000158926182 488781615 /nfs/dbraw/zinc/78/16/15/488781615.db2.gz AFTRMAMBAHURPP-LBPRGKRZSA-N 1 0 361.395 0.859 10 5 FCBERO C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000161637390 488797884 /nfs/dbraw/zinc/79/78/84/488797884.db2.gz IARMFHZDFHJAGP-CYBMUJFWSA-N 1 0 366.422 0.686 10 5 FCBERO O=C(C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 ZINC000173496529 488843126 /nfs/dbraw/zinc/84/31/26/488843126.db2.gz CPRMRXDFDLPFGK-MRXNPFEDSA-N 1 0 365.434 0.877 10 5 FCBERO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000451657816 489514628 /nfs/dbraw/zinc/51/46/28/489514628.db2.gz BVDQQJUGXCFOSK-OAHLLOKOSA-N 1 0 357.432 0.861 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000451673181 489517141 /nfs/dbraw/zinc/51/71/41/489517141.db2.gz UTNNOCVKKNTKTI-OAHLLOKOSA-N 1 0 357.432 0.861 10 5 FCBERO Cc1cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416462287 489596077 /nfs/dbraw/zinc/59/60/77/489596077.db2.gz PHOWNCXTXMHYDP-UHFFFAOYSA-N 1 0 357.432 0.947 10 5 FCBERO COc1ccc(S(=O)(=O)N2CCN(CCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000420318293 489962463 /nfs/dbraw/zinc/96/24/63/489962463.db2.gz OJEFDSSCRRXAFG-UHFFFAOYSA-N 1 0 358.420 0.259 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000420480569 489983639 /nfs/dbraw/zinc/98/36/39/489983639.db2.gz PKJFNPXHHLCCGP-GHMZBOCLSA-N 1 0 371.415 0.987 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000378398394 490059753 /nfs/dbraw/zinc/05/97/53/490059753.db2.gz FJYLNLKTMFAIFY-UHFFFAOYSA-N 1 0 351.407 0.903 10 5 FCBERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000408027625 490215712 /nfs/dbraw/zinc/21/57/12/490215712.db2.gz MGDRZSHVGQGAFI-CABCVRRESA-N 1 0 355.416 0.830 10 5 FCBERO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)nc2)C1 ZINC000448178761 490318557 /nfs/dbraw/zinc/31/85/57/490318557.db2.gz ODMTWSLRTPJJSS-GFCCVEGCSA-N 1 0 360.378 0.360 10 5 FCBERO COCC[NH2+]C1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000571650051 491320762 /nfs/dbraw/zinc/32/07/62/491320762.db2.gz UITNYKZJIGRWIG-UHFFFAOYSA-N 1 0 364.402 0.438 10 5 FCBERO COC(=O)[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000413899586 490507737 /nfs/dbraw/zinc/50/77/37/490507737.db2.gz JTFWYRJYQIZQAC-JTQLQIEISA-N 1 0 371.340 0.979 10 5 FCBERO C[NH+](C)C[C@@H]1CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000524318723 490531356 /nfs/dbraw/zinc/53/13/56/490531356.db2.gz DHIUVAVTXQSPRU-ZDUSSCGKSA-N 1 0 362.386 0.873 10 5 FCBERO CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCC[NH+]1CCC1 ZINC000500897438 490560805 /nfs/dbraw/zinc/56/08/05/490560805.db2.gz ZDNDJCXBVNTSPI-LLVKDONJSA-N 1 0 370.431 0.861 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000502019783 490667995 /nfs/dbraw/zinc/66/79/95/490667995.db2.gz SMWLRIIGBWUDTA-UHFFFAOYSA-N 1 0 359.390 0.405 10 5 FCBERO CC(C)[NH+]1CCC(N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC000541869354 490875791 /nfs/dbraw/zinc/87/57/91/490875791.db2.gz NAPWVHOTHZVNCB-UHFFFAOYSA-N 1 0 364.450 0.959 10 5 FCBERO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2cncnc2)c([N+](=O)[O-])c1 ZINC000584377927 491584426 /nfs/dbraw/zinc/58/44/26/491584426.db2.gz MOLFTFLPGQXOLV-UHFFFAOYSA-N 1 0 351.388 0.754 10 5 FCBERO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561243225 491589087 /nfs/dbraw/zinc/58/90/87/491589087.db2.gz BSSGIWRLHCOUAR-GOSISDBHSA-N 1 0 360.414 0.856 10 5 FCBERO C[C@@H](C[NH+](C)C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000561766564 491629662 /nfs/dbraw/zinc/62/96/62/491629662.db2.gz OGDIOTFXELQUTC-NSHDSACASA-N 1 0 358.420 0.330 10 5 FCBERO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000578865820 491686053 /nfs/dbraw/zinc/68/60/53/491686053.db2.gz AKKVEJIAWOGSJE-SNVBAGLBSA-N 1 0 357.388 0.741 10 5 FCBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590445056 491777213 /nfs/dbraw/zinc/77/72/13/491777213.db2.gz PXDQOUJUXODDOP-PWSUYJOCSA-N 1 0 354.388 0.018 10 5 FCBERO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590564999 491779392 /nfs/dbraw/zinc/77/93/92/491779392.db2.gz IJUUUKQOZGPDOK-KBPBESRZSA-N 1 0 350.375 0.078 10 5 FCBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592082181 491831023 /nfs/dbraw/zinc/83/10/23/491831023.db2.gz GMPHMTFUPFJJGC-LBPRGKRZSA-N 1 0 370.431 0.644 10 5 FCBERO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000582970289 491834817 /nfs/dbraw/zinc/83/48/17/491834817.db2.gz MLEYKJGZTXUBCX-UHFFFAOYSA-N 1 0 373.431 0.993 10 5 FCBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592309626 491835992 /nfs/dbraw/zinc/83/59/92/491835992.db2.gz SLIAJTJFJSSWNS-NSHDSACASA-N 1 0 363.374 0.112 10 5 FCBERO COc1cc(C[NH2+]C[C@@]2(OCCO)CCOC2)c([N+](=O)[O-])cc1OC ZINC000594973543 491873930 /nfs/dbraw/zinc/87/39/30/491873930.db2.gz FNSNGJIJDWEMPZ-INIZCTEOSA-N 1 0 356.375 0.870 10 5 FCBERO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)nc1 ZINC000595109328 491884319 /nfs/dbraw/zinc/88/43/19/491884319.db2.gz ASSGCNYOLWRSIU-UHFFFAOYSA-N 1 0 369.447 0.485 10 5 FCBERO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595384357 491926486 /nfs/dbraw/zinc/92/64/86/491926486.db2.gz JLYAJLGNUAKQCM-INIZCTEOSA-N 1 0 369.443 0.956 10 5 FCBERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595660840 491947089 /nfs/dbraw/zinc/94/70/89/491947089.db2.gz GMAQWQCMEPJYQE-SWLSCSKDSA-N 1 0 367.358 0.852 10 5 FCBERO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595986709 491969141 /nfs/dbraw/zinc/96/91/41/491969141.db2.gz RREVZNCWFDYWJJ-LLVKDONJSA-N 1 0 374.405 0.470 10 5 FCBERO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596165452 491978155 /nfs/dbraw/zinc/97/81/55/491978155.db2.gz KYWVOCJQQJDJKR-VIFPVBQESA-N 1 0 363.403 0.783 10 5 FCBERO NS(=O)(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537869 491989000 /nfs/dbraw/zinc/98/90/00/491989000.db2.gz IYFQCQPHWXBUBW-GFCCVEGCSA-N 1 0 370.431 0.278 10 5 FCBERO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537193 491989117 /nfs/dbraw/zinc/98/91/17/491989117.db2.gz CGPQZPFJGIAQRD-ZDUSSCGKSA-N 1 0 370.431 0.278 10 5 FCBERO CN(CCC[NH+](C)C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597990382 492076630 /nfs/dbraw/zinc/07/66/30/492076630.db2.gz UOJBDKYMWYBZDD-UHFFFAOYSA-N 1 0 352.391 0.937 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598454610 492099574 /nfs/dbraw/zinc/09/95/74/492099574.db2.gz XFPFVPXIGQZVON-GFCCVEGCSA-N 1 0 351.407 0.942 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)n1 ZINC000599099519 492135261 /nfs/dbraw/zinc/13/52/61/492135261.db2.gz YPDSKZWXMWHWGZ-NWDGAFQWSA-N 1 0 351.388 0.362 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)n1 ZINC000599101622 492135278 /nfs/dbraw/zinc/13/52/78/492135278.db2.gz MTIYIYDQJWZVCE-HTQZYQBOSA-N 1 0 371.341 0.476 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000599102761 492135712 /nfs/dbraw/zinc/13/57/12/492135712.db2.gz UCOGCXONTWUABJ-LBPRGKRZSA-N 1 0 357.436 0.729 10 5 FCBERO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[NH2+]1 ZINC000599106558 492135883 /nfs/dbraw/zinc/13/58/83/492135883.db2.gz VKHSXAAQJZQWTA-ZJUUUORDSA-N 1 0 357.388 0.785 10 5 FCBERO C[NH2+]CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000599108200 492136128 /nfs/dbraw/zinc/13/61/28/492136128.db2.gz SGWAYCKWDMJWJY-UHFFFAOYSA-N 1 0 354.388 0.657 10 5 FCBERO Cc1cc(NC2CN(S(=O)(=O)N(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599182548 492139822 /nfs/dbraw/zinc/13/98/22/492139822.db2.gz MMTIKEJSFGCNRS-UHFFFAOYSA-N 1 0 365.415 0.776 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000599213508 492142794 /nfs/dbraw/zinc/14/27/94/492142794.db2.gz OUEKSVIZTNZJCN-UHFFFAOYSA-N 1 0 353.404 0.868 10 5 FCBERO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)n1 ZINC000599240786 492147573 /nfs/dbraw/zinc/14/75/73/492147573.db2.gz BEJNFMRCESGPTO-UHFFFAOYSA-N 1 0 361.424 0.060 10 5 FCBERO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC000599286356 492154869 /nfs/dbraw/zinc/15/48/69/492154869.db2.gz IDRXYXUMGYUQRU-LLVKDONJSA-N 1 0 361.424 0.108 10 5 FCBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000599542624 492185713 /nfs/dbraw/zinc/18/57/13/492185713.db2.gz COQLWPMFBXMEGR-ZFWWWQNUSA-N 1 0 354.407 0.406 10 5 FCBERO C[NH+](C)C1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609417044 492208074 /nfs/dbraw/zinc/20/80/74/492208074.db2.gz CZMPVURMNBYZCP-UHFFFAOYSA-N 1 0 363.418 0.947 10 5 FCBERO C[NH2+]CCOCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599936941 492218753 /nfs/dbraw/zinc/21/87/53/492218753.db2.gz QNFZYJQTVZBPRC-UHFFFAOYSA-N 1 0 351.407 0.662 10 5 FCBERO Cc1nn(CCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000618924484 492243597 /nfs/dbraw/zinc/24/35/97/492243597.db2.gz YOADNJPOAHDWJT-MRXNPFEDSA-N 1 0 353.423 0.713 10 5 FCBERO COC(=O)c1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000618924076 492243649 /nfs/dbraw/zinc/24/36/49/492243649.db2.gz PUXNRDXJZFVFJP-QGZVFWFLSA-N 1 0 365.386 0.910 10 5 FCBERO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262258633 534753358 /nfs/dbraw/zinc/75/33/58/534753358.db2.gz MANZQNAHOHGRKK-UGSOOPFHSA-N 1 0 351.406 0.851 10 5 FCBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1 ZINC000592879327 546959538 /nfs/dbraw/zinc/95/95/38/546959538.db2.gz KWQVDUNDDBDWNF-NSHDSACASA-N 1 0 350.375 0.795 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592877898 546959853 /nfs/dbraw/zinc/95/98/53/546959853.db2.gz APZYEQLQCZGMQR-NSHDSACASA-N 1 0 350.375 0.795 10 5 FCBERO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1 ZINC000593551758 546974146 /nfs/dbraw/zinc/97/41/46/546974146.db2.gz DPHRUFNFBCWSRH-LBPRGKRZSA-N 1 0 357.436 0.152 10 5 FCBERO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593623320 546984772 /nfs/dbraw/zinc/98/47/72/546984772.db2.gz ZTEQHGGBHVZNOJ-UHFFFAOYSA-N 1 0 374.394 0.128 10 5 FCBERO CCCc1n[nH]c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593783676 546991802 /nfs/dbraw/zinc/99/18/02/546991802.db2.gz BXZNLJGZOLBFDM-UHFFFAOYSA-N 1 0 352.395 0.116 10 5 FCBERO CN(CCN(C)S(=O)(=O)c1ncccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000594755461 547005118 /nfs/dbraw/zinc/00/51/18/547005118.db2.gz MKZCMOKAHGSLCF-UHFFFAOYSA-N 1 0 371.463 0.636 10 5 FCBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697314 547352567 /nfs/dbraw/zinc/35/25/67/547352567.db2.gz TZKLSEPBYAVBII-FZMZJTMJSA-N 1 0 368.415 0.907 10 5 FCBERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000262111242 663512774 /nfs/dbraw/zinc/51/27/74/663512774.db2.gz FJEAFXRTXMURKU-WKEGUHRASA-N 1 0 362.155 0.807 10 5 FCBERO C[C@@]1(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]C1 ZINC000262128823 665011656 /nfs/dbraw/zinc/01/16/56/665011656.db2.gz XZMXWZYXXMZWOT-MRXNPFEDSA-N 1 0 368.459 0.901 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776587528 668275163 /nfs/dbraw/zinc/27/51/63/668275163.db2.gz VWARXZXYYQIMAT-MRXNPFEDSA-N 1 0 350.419 0.724 10 5 FCBERO C[NH+](C)CCN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1=O ZINC000845968530 671058952 /nfs/dbraw/zinc/05/89/52/671058952.db2.gz JEAMTASUPMVMQJ-UHFFFAOYSA-N 1 0 362.433 0.051 10 5 FCBERO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)C3(O)CCOCC3)CC2)c1 ZINC000929269383 673947139 /nfs/dbraw/zinc/94/71/39/673947139.db2.gz JRVBMSDGXRFGBA-MRXNPFEDSA-N 1 0 351.403 0.619 10 5 FCBERO CS(=O)(=O)N1CC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000801507878 675788785 /nfs/dbraw/zinc/78/87/85/675788785.db2.gz JSIIGNOYWOICBP-CQSZACIVSA-N 1 0 368.459 0.998 10 5 FCBERO CS(=O)(=O)N1CC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000801507875 675788834 /nfs/dbraw/zinc/78/88/34/675788834.db2.gz JSIIGNOYWOICBP-AWEZNQCLSA-N 1 0 368.459 0.998 10 5 FCBERO Nc1c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc(F)cc1[N+](=O)[O-] ZINC001648908315 1169351601 /nfs/dbraw/zinc/35/16/01/1169351601.db2.gz CRUJJHPASNDLCI-MEDUHNTESA-N 1 0 368.365 0.272 10 5 FCBERO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCCc1ccccc1 ZINC001266683547 1170059189 /nfs/dbraw/zinc/05/91/89/1170059189.db2.gz QPRZLFLUVNSVRP-QKPAOTATSA-N 1 0 360.414 0.247 10 5 FCBERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001625875661 1171788922 /nfs/dbraw/zinc/78/89/22/1171788922.db2.gz HUXHBHPBASHWJE-RYUDHWBXSA-N 1 0 357.374 0.927 10 5 FCBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000581478703 1181791415 /nfs/dbraw/zinc/79/14/15/1181791415.db2.gz SAHFXUQDDBNOTE-BETUJISGSA-N 1 0 362.386 0.443 10 5 FCBERO Cc1ccnc(CN2CCN(CCN(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001267607816 1182374040 /nfs/dbraw/zinc/37/40/40/1182374040.db2.gz WARKAXQSFMMHPX-HUUCEWRRSA-N 1 0 362.434 0.026 10 5 FCBERO CCN(CC1CCN(C(=O)Cn2ccnc2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000936428112 1183343460 /nfs/dbraw/zinc/34/34/60/1183343460.db2.gz MFWYFTLMQZNDAG-HUUCEWRRSA-N 1 0 363.418 0.635 10 5 FCBERO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3-n3cnnn3)CC[C@H]21 ZINC001648928046 1183675433 /nfs/dbraw/zinc/67/54/33/1183675433.db2.gz IQHATXRGAHWFAV-SMDDNHRTSA-N 1 0 357.374 0.737 10 5 FCBERO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cc(F)ccc1F ZINC001268540055 1187583220 /nfs/dbraw/zinc/58/32/20/1187583220.db2.gz BJERRVXTENVWHZ-LEINQQNWSA-N 1 0 368.340 0.831 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccc(F)cc1 ZINC001269411836 1187847368 /nfs/dbraw/zinc/84/73/68/1187847368.db2.gz VIFZVFJTXLCFFI-ZIAGYGMSSA-N 1 0 364.377 0.346 10 5 FCBERO O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000908451218 1195745891 /nfs/dbraw/zinc/74/58/91/1195745891.db2.gz IQJJBGNXGSUBEC-UHFFFAOYSA-N 1 0 358.398 0.975 10 5 FCBERO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1C[NH2+]CCC1(F)F ZINC000592339573 1196599758 /nfs/dbraw/zinc/59/97/58/1196599758.db2.gz WSOQEPKGETVBPP-LBPRGKRZSA-N 1 0 370.312 0.434 10 5 FCBERO C[NH+](C)CCN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1=O ZINC000593050866 1196605954 /nfs/dbraw/zinc/60/59/54/1196605954.db2.gz HIXUYKPLSKAKIN-UHFFFAOYSA-N 1 0 374.401 0.851 10 5 FCBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001132907583 1202970413 /nfs/dbraw/zinc/97/04/13/1202970413.db2.gz QUUWSZDUHUIVTJ-UHFFFAOYSA-N 1 0 363.418 0.879 10 5 FCBERO C[C@H](NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001136874587 1203294066 /nfs/dbraw/zinc/29/40/66/1203294066.db2.gz QWOAUUNMKDSTEY-JSGCOSHPSA-N 1 0 373.417 0.540 10 5 FCBERO COc1cc(OCC(=O)N(CCO)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001143821925 1203338174 /nfs/dbraw/zinc/33/81/74/1203338174.db2.gz IOJUOWBDHPCMIT-UHFFFAOYSA-N 1 0 367.402 0.897 10 5 FCBERO Cc1nn(CN2CCN(CC[NH+](C)C)C(=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000844713443 1204428922 /nfs/dbraw/zinc/42/89/22/1204428922.db2.gz BZJTWWFNNLHFGT-UHFFFAOYSA-N 1 0 361.406 0.311 10 5 FCBERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001147775549 1204809482 /nfs/dbraw/zinc/80/94/82/1204809482.db2.gz KUNOIKWUGYIWOQ-HIFRSBDPSA-N 1 0 361.402 0.723 10 5 FCBERO C[C@@](CO)([NH2+]C[C@@](O)(C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001175322327 1206303601 /nfs/dbraw/zinc/30/36/01/1206303601.db2.gz ATZACVGEISBVBU-ROUUACIJSA-N 1 0 359.382 0.765 10 5 FCBERO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000773528964 1206308248 /nfs/dbraw/zinc/30/82/48/1206308248.db2.gz HTPRUNLFVCIJCC-CXAGYDPISA-N 1 0 373.413 0.594 10 5 FCBERO C[NH+](C)CCCC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001489011835 1208606645 /nfs/dbraw/zinc/60/66/45/1208606645.db2.gz KPIUWPLCGPNLQV-HUUCEWRRSA-N 1 0 352.435 0.658 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001489818564 1209097122 /nfs/dbraw/zinc/09/71/22/1209097122.db2.gz AHQHCVBXFQEDNW-LXTVHRRPSA-N 1 0 352.435 0.539 10 5 FCBERO CN(CC1C[NH+](C)C1)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853555956 1209598837 /nfs/dbraw/zinc/59/88/37/1209598837.db2.gz TXSHRFVZOBCQPB-KRWDZBQOSA-N 1 0 361.402 0.813 10 5 FCBERO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000854354024 1209623300 /nfs/dbraw/zinc/62/33/00/1209623300.db2.gz KRLXHQXXPGHKIS-CYBMUJFWSA-N 1 0 363.374 0.931 10 5 FCBERO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863569869 1209945256 /nfs/dbraw/zinc/94/52/56/1209945256.db2.gz BCJJXWHWEWEDON-SJLPKXTDSA-N 1 0 365.430 0.834 10 5 FCBERO Cc1ccc(NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001274017061 1210861541 /nfs/dbraw/zinc/86/15/41/1210861541.db2.gz QMWPWBUIXAZVIY-KXAWDHGWSA-N 1 0 364.377 1.000 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC001274516471 1211071820 /nfs/dbraw/zinc/07/18/20/1211071820.db2.gz SPWVLJXWRPZJDE-HZPDHXFCSA-N 1 0 363.414 0.287 10 5 FCBERO CCc1[nH]nc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000795617748 1213214397 /nfs/dbraw/zinc/21/43/97/1213214397.db2.gz ZYYJBCUKNWMUKM-UHFFFAOYSA-N 1 0 365.390 0.780 10 5 FCBERO COc1ccccc1NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001490890485 1219386564 /nfs/dbraw/zinc/38/65/64/1219386564.db2.gz QVONSIJBEIZOGA-HKUMRIAESA-N 1 0 362.386 0.536 10 5 FCBERO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000830014670 1222456514 /nfs/dbraw/zinc/45/65/14/1222456514.db2.gz YLQUMIMFBDMGNA-SNVBAGLBSA-N 1 0 368.365 0.831 10 5 FCBERO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000834569331 1222579540 /nfs/dbraw/zinc/57/95/40/1222579540.db2.gz MXZKWQSSMREKBO-QGZVFWFLSA-N 1 0 365.386 0.701 10 5 FCBERO O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839717692 1222754903 /nfs/dbraw/zinc/75/49/03/1222754903.db2.gz JUDGSXRPZPVOIE-CAOSSQGBSA-N 1 0 358.398 0.367 10 5 FCBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000941007776 1246428301 /nfs/dbraw/zinc/42/83/01/1246428301.db2.gz SRNXLFJTJKRITQ-HUUCEWRRSA-N 1 0 364.446 0.589 10 5 FCBERO CN(CC(C)(C)C[NH2+]Cc1nc(C2CC2)nn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329291154 1265728336 /nfs/dbraw/zinc/72/83/36/1265728336.db2.gz HHCZAFFOWDHWNE-CHWSQXEVSA-N 1 0 364.450 0.932 10 5 FCBERO C[N@H+](CCNC(=O)NC(C)(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283306750 1261677460 /nfs/dbraw/zinc/67/74/60/1261677460.db2.gz GOWAVLUNTKRALF-ZIAGYGMSSA-N 1 0 369.466 0.672 10 5 FCBERO CCN(C)C(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001285003643 1261801809 /nfs/dbraw/zinc/80/18/09/1261801809.db2.gz BHSGJJYHSZRYKX-UKRRQHHQSA-N 1 0 366.393 0.675 10 5 FCBERO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CCC[NH+](CCC1)C2 ZINC001296502585 1262814818 /nfs/dbraw/zinc/81/48/18/1262814818.db2.gz VOJAMBZTBMELEA-HUUCEWRRSA-N 1 0 366.462 0.882 10 5 FCBERO C[NH+](C)Cc1ccccc1C(=O)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001298395934 1262924576 /nfs/dbraw/zinc/92/45/76/1262924576.db2.gz GWYODONMPKORMF-DOOVEFGSSA-N 1 0 360.414 0.816 10 5 FCBERO Cc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(F)c1 ZINC001480203529 1263425920 /nfs/dbraw/zinc/42/59/20/1263425920.db2.gz NYIKUTPVZHWIES-NWJSVONSSA-N 1 0 364.377 0.975 10 5 FCBERO CN(CCC[NH2+]Cc1cnnn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483464749 1263442970 /nfs/dbraw/zinc/44/29/70/1263442970.db2.gz QKZHEAYUERFSRT-HZPDHXFCSA-N 1 0 358.402 0.871 10 5 FCBERO CC(C)N(C)C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001483835741 1263448196 /nfs/dbraw/zinc/44/81/96/1263448196.db2.gz MUVYPPWSSGLUPK-HUUCEWRRSA-N 1 0 366.462 0.833 10 5 FCBERO Cc1cc(NC(=O)C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001484916507 1263491461 /nfs/dbraw/zinc/49/14/61/1263491461.db2.gz TZFLQLDYJXWZRG-VXGBXAGGSA-N 1 0 365.390 0.557 10 5 FCBERO Cn1cnnc1C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001317367067 1263508284 /nfs/dbraw/zinc/50/82/84/1263508284.db2.gz UESIBVCMFYOOFA-HUUCEWRRSA-N 1 0 358.402 0.429 10 5 FCBERO CC(C)N1CC[NH+](C2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC001319802838 1263734182 /nfs/dbraw/zinc/73/41/82/1263734182.db2.gz APHCBHITDFBJRT-UHFFFAOYSA-N 1 0 365.438 0.203 10 5 FCBERO C[NH+](C)C1(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCCC1 ZINC001494218226 1263757690 /nfs/dbraw/zinc/75/76/90/1263757690.db2.gz WLTWMPYOOJAXFW-XJFOESAGSA-N 1 0 352.435 0.680 10 5 FCBERO C[N@H+](CCC(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001498304651 1263968640 /nfs/dbraw/zinc/96/86/40/1263968640.db2.gz NBBZHVUMGOCTLU-HUUCEWRRSA-N 1 0 352.435 0.633 10 5 FCBERO O=C(C[NH+]1CCCC1)NCCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001499771868 1264045789 /nfs/dbraw/zinc/04/57/89/1264045789.db2.gz CXRYSOBVIAEVKL-HUUCEWRRSA-N 1 0 352.435 0.492 10 5 FCBERO Cc1ccncc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001501258324 1264114802 /nfs/dbraw/zinc/11/48/02/1264114802.db2.gz ZFJYPOWGOXNENW-IAGOWNOFSA-N 1 0 361.446 0.725 10 5 FCBERO Cc1cc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001501258187 1264114852 /nfs/dbraw/zinc/11/48/52/1264114852.db2.gz TXMKYQLJEOPAHM-HUUCEWRRSA-N 1 0 367.475 0.787 10 5 FCBERO Cc1nnc(C[NH2+]CCCOC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC001506480813 1264323675 /nfs/dbraw/zinc/32/36/75/1264323675.db2.gz BQNISXZYBMAART-ZIAGYGMSSA-N 1 0 366.422 0.266 10 5 FCBERO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001323615045 1264468908 /nfs/dbraw/zinc/46/89/08/1264468908.db2.gz CWFGUQMWXNIYIU-OCCSQVGLSA-N 1 0 366.422 0.096 10 5 FCBERO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001327420503 1265313259 /nfs/dbraw/zinc/31/32/59/1265313259.db2.gz CAOUTCBOMYKKKM-LSDHHAIUSA-N 1 0 361.406 0.377 10 5 FCBERO CC(C)[N@H+](C)CC(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001532046724 1267158978 /nfs/dbraw/zinc/15/89/78/1267158978.db2.gz BRPYXFWNGORAPN-HUUCEWRRSA-N 1 0 366.462 0.833 10 5 FCBERO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC001556137391 1268818369 /nfs/dbraw/zinc/81/83/69/1268818369.db2.gz PMIDUAOORCGGMQ-INIZCTEOSA-N 1 0 367.427 0.971 10 5 FCBERO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC001558043658 1269010591 /nfs/dbraw/zinc/01/05/91/1269010591.db2.gz QITMQPADDVEQQU-INIZCTEOSA-N 1 0 360.374 0.314 10 5 FCBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001560231836 1269199720 /nfs/dbraw/zinc/19/97/20/1269199720.db2.gz CDAPNACAAYZGGR-QWHCGFSZSA-N 1 0 367.402 0.855 10 5 FCBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001565566702 1269478511 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DUNKGWFNARNRGD-HUUCEWRRSA-N 1 0 352.435 0.492 10 5 FCBERO CC(C)NC(=O)NCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001715199153 1287347009 /nfs/dbraw/zinc/34/70/09/1287347009.db2.gz PXCBTODYLZTIGD-HUUCEWRRSA-N 1 0 369.466 0.578 10 5 FCBERO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)N1CCCCC1 ZINC001715300870 1287348924 /nfs/dbraw/zinc/34/89/24/1287348924.db2.gz UBBIUWCEPZQDJP-ZIAGYGMSSA-N 1 0 352.435 0.683 10 5 FCBERO COCC[N@@H+]1CCCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001583589552 1282102323 /nfs/dbraw/zinc/10/23/23/1282102323.db2.gz BOAOXUPEGDAMPZ-UHFFFAOYSA-N 1 0 374.401 0.970 10 5 FCBERO CCO[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC001584103961 1282135427 /nfs/dbraw/zinc/13/54/27/1282135427.db2.gz AVFBUPYPFXWBHW-NSHDSACASA-N 1 0 373.431 0.695 10 5 FCBERO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001632606378 1282190646 /nfs/dbraw/zinc/19/06/46/1282190646.db2.gz RKVLMTISEBKEFM-UHFFFAOYSA-N 1 0 364.406 0.245 10 5 FCBERO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001632763156 1282204558 /nfs/dbraw/zinc/20/45/58/1282204558.db2.gz SRCDIQHKCIFXFF-QGZVFWFLSA-N 1 0 359.386 0.919 10 5 FCBERO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001633492947 1282247100 /nfs/dbraw/zinc/24/71/00/1282247100.db2.gz GVCZBZTXGRZTQX-NSHDSACASA-N 1 0 358.354 0.497 10 5 FCBERO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC001633879106 1282280443 /nfs/dbraw/zinc/28/04/43/1282280443.db2.gz KTBBGRQLCPNCOC-UHFFFAOYSA-N 1 0 371.397 0.932 10 5 FCBERO C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001639068230 1282744421 /nfs/dbraw/zinc/74/44/21/1282744421.db2.gz HQNRTPCEPKWWIF-CZUORRHYSA-N 1 0 364.450 0.940 10 5 FCBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(O)(C[NH+]3CCCCC3)CC2)n1 ZINC001640440091 1282864440 /nfs/dbraw/zinc/86/44/40/1282864440.db2.gz HMNDHJFIHZJLTN-UHFFFAOYSA-N 1 0 351.407 0.781 10 5 FCBERO CC1CC[NH+](CC(=O)N(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 ZINC001720653175 1288246529 /nfs/dbraw/zinc/24/65/29/1288246529.db2.gz JRKVNJDOFUXSBH-HZPDHXFCSA-N 1 0 366.462 0.881 10 5 FCBERO CN(CC[NH2+]CC(=O)Nc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731908011 1288570420 /nfs/dbraw/zinc/57/04/20/1288570420.db2.gz AGGJGPFRWROHFI-ZWNOBZJWSA-N 1 0 356.329 0.617 10 5 FCBERO CC(C)(C)CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001734204683 1288645397 /nfs/dbraw/zinc/64/53/97/1288645397.db2.gz IHCPAFWGBSBFPV-AAVRWANBSA-N 1 0 354.451 0.688 10 5 FCBERO O=C(CCC[NH+]1CCCC1)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001735512280 1288756613 /nfs/dbraw/zinc/75/66/13/1288756613.db2.gz QBHXBDMECBEULC-HZPDHXFCSA-N 1 0 364.446 0.803 10 5 FCBERO CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001735578418 1288756875 /nfs/dbraw/zinc/75/68/75/1288756875.db2.gz NYXSGGWLILLOPT-ZIAGYGMSSA-N 1 0 352.435 0.444 10 5 FCBERO C[NH+]1CCC(C(=O)NCCC2=CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001735628139 1288760688 /nfs/dbraw/zinc/76/06/88/1288760688.db2.gz WXDYWNOGIXGHBI-HZPDHXFCSA-N 1 0 364.446 0.658 10 5 FCBERO CCCN(C(=O)C[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001737368909 1289537578 /nfs/dbraw/zinc/53/75/78/1289537578.db2.gz XXRFMGFHLZVPFW-HZPDHXFCSA-N 1 0 366.462 0.977 10 5 FCBERO CCC(C)(C)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700275917 1289590987 /nfs/dbraw/zinc/59/09/87/1289590987.db2.gz JMFDQLLLWGXVMX-CHWSQXEVSA-N 1 0 354.451 0.927 10 5 FCBERO CCC[N@H+](C)CC(=O)NC1(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001701929038 1289716933 /nfs/dbraw/zinc/71/69/33/1289716933.db2.gz JVCIPHMJJSZXGL-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO CN1CC[NH+](CC2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC001615718680 1289759852 /nfs/dbraw/zinc/75/98/52/1289759852.db2.gz IHSSYKFMYMKAPE-UHFFFAOYSA-N 1 0 363.418 0.795 10 5 FCBERO CC[NH+]1CCN(CCNC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC1 ZINC001616218689 1289770255 /nfs/dbraw/zinc/77/02/55/1289770255.db2.gz SECIFLZSINYGHY-UHFFFAOYSA-N 1 0 373.417 0.543 10 5 FCBERO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@]1(O)CCCOC1 ZINC001618805229 1289939296 /nfs/dbraw/zinc/93/92/96/1289939296.db2.gz XAZGEPWUNYQEHC-OAHLLOKOSA-N 1 0 373.431 0.346 10 5 FCBERO C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001620412784 1289987895 /nfs/dbraw/zinc/98/78/95/1289987895.db2.gz BEJIEBBRSYXFPY-CYBMUJFWSA-N 1 0 357.411 0.999 10 5 FCBERO COc1c(C)[nH]cc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O ZINC001620471179 1289990339 /nfs/dbraw/zinc/99/03/39/1289990339.db2.gz IOXMIYWKDZJPTH-ZDUSSCGKSA-N 1 0 351.363 0.290 10 5 FCBERO C[C@]12C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@]1(C)C(=O)NC2=O ZINC001620487912 1289991578 /nfs/dbraw/zinc/99/15/78/1289991578.db2.gz JCPNMDLKOPGUSL-XWIAVFTESA-N 1 0 372.381 0.685 10 5 FCBERO C[C@]12C[NH+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@]1(C)C(=O)NC2=O ZINC001620487911 1289991923 /nfs/dbraw/zinc/99/19/23/1289991923.db2.gz JCPNMDLKOPGUSL-MORSLUCNSA-N 1 0 372.381 0.685 10 5 FCBERO COc1ccc(OCC[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC001620633881 1290011416 /nfs/dbraw/zinc/01/14/16/1290011416.db2.gz BYOHYABRZPKPSA-NSHDSACASA-N 1 0 359.404 0.593 10 5 FCBERO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001623265152 1290208432 /nfs/dbraw/zinc/20/84/32/1290208432.db2.gz QHLAYTGLDOMRGD-RYUDHWBXSA-N 1 0 370.431 0.424 10 5 FCBERO CCC[N@H+](C)CC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001627402126 1290460397 /nfs/dbraw/zinc/46/03/97/1290460397.db2.gz IPIYFFPKFOEHKQ-UHFFFAOYSA-N 1 0 372.447 0.673 10 5 FCBERO C[NH+](C)CCn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC001629787838 1290625479 /nfs/dbraw/zinc/62/54/79/1290625479.db2.gz ZJWUCZMUKSNKEF-UHFFFAOYSA-N 1 0 373.417 0.710 10 5 FCBERO CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CCS(=O)(=O)C1 ZINC001630641039 1290684918 /nfs/dbraw/zinc/68/49/18/1290684918.db2.gz XOAAGCFDPJQDPO-LBPRGKRZSA-N 1 0 370.431 0.368 10 5 FCBERO CC[NH+](CC)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001630845853 1290704892 /nfs/dbraw/zinc/70/48/92/1290704892.db2.gz GWPLFZGQMIHNDH-LLVKDONJSA-N 1 0 373.435 0.289 10 5 FCBERO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001643460139 1290894794 /nfs/dbraw/zinc/89/47/94/1290894794.db2.gz RIDVADRMEYIOTR-TXEJJXNPSA-N 1 0 372.381 0.934 10 5 FCBERO CC[N@@H+]1CC[C@@H]1C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001643561764 1290905668 /nfs/dbraw/zinc/90/56/68/1290905668.db2.gz ZBJOPSIFDMBOQG-CYBMUJFWSA-N 1 0 370.431 0.426 10 5 FCBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001644116276 1290940665 /nfs/dbraw/zinc/94/06/65/1290940665.db2.gz KRSBHUPGMPFJQA-LWNYNHHKSA-N 1 0 360.370 0.906 10 5 FCBERO COc1ccccc1NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001661598309 1291701505 /nfs/dbraw/zinc/70/15/05/1291701505.db2.gz QVONSIJBEIZOGA-GFQSEFKGSA-N 1 0 362.386 0.536 10 5 FCBERO CCN(C)C(=O)C[N@H+](CCOC)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001670994369 1292029132 /nfs/dbraw/zinc/02/91/32/1292029132.db2.gz YLNYUTJYJCXDJA-HUUCEWRRSA-N 1 0 370.450 0.069 10 5 FCBERO CCC(CC)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001673009615 1292097524 /nfs/dbraw/zinc/09/75/24/1292097524.db2.gz XHVSUBZWELGZOE-HUUCEWRRSA-N 1 0 366.462 0.881 10 5 FCBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001685621188 1292574896 /nfs/dbraw/zinc/57/48/96/1292574896.db2.gz GBDNJPUZUDPFHW-BZUAXINKSA-N 1 0 366.418 0.773 10 5 FCBERO