smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000363868253 149023100 /nfs/dbraw/zinc/02/31/00/149023100.db2.gz NCYDEUSUOCTXMK-KBAYOESNSA-N 2 0 333.432 2.587 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415106077 312095030 /nfs/dbraw/zinc/09/50/30/312095030.db2.gz JDEWAXFEUIPXMX-ZWKOTPCHSA-N 2 0 333.432 2.622 10 5 EFBERP Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728239 473178352 /nfs/dbraw/zinc/17/83/52/473178352.db2.gz MROKTJXXKFFMSF-HIFRSBDPSA-N 2 0 348.447 2.646 10 5 EFBERP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000600708740 478479541 /nfs/dbraw/zinc/47/95/41/478479541.db2.gz FPIPSMQINCQGAB-GOSISDBHSA-N 2 0 329.400 2.510 10 5 EFBERP O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478615 478908841 /nfs/dbraw/zinc/90/88/41/478908841.db2.gz GBNUAWSYJGVETJ-TZMCWYRMSA-N 2 0 330.388 2.700 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593323729 479295003 /nfs/dbraw/zinc/29/50/03/479295003.db2.gz WBXZFULGRBGZAC-NXHRZFHOSA-N 2 0 333.432 2.764 10 5 EFBERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593323037 479295191 /nfs/dbraw/zinc/29/51/91/479295191.db2.gz ONLJIYXQZWTGSE-IRXDYDNUSA-N 2 0 343.431 2.784 10 5 EFBERP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731508 479437730 /nfs/dbraw/zinc/43/77/30/479437730.db2.gz YMSXSIZFQKRSGN-CGTJXYLNSA-N 2 0 333.432 2.764 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450185 1261688136 /nfs/dbraw/zinc/68/81/36/1261688136.db2.gz FGZAOMFCTBTITF-GOEBONIOSA-N 2 0 333.432 2.794 10 5 EFBERP C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1C[NH3+] ZINC000923494413 1261779866 /nfs/dbraw/zinc/77/98/66/1261779866.db2.gz WYRJFBOKXSIWFZ-MNOVXSKESA-N 2 0 342.237 2.774 10 5 EFBERP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000819073251 1276621245 /nfs/dbraw/zinc/62/12/45/1276621245.db2.gz LNBZEJLOSJVRGN-SFHVURJKSA-N 2 0 347.390 2.619 10 5 EFBERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872041669 1287409629 /nfs/dbraw/zinc/40/96/29/1287409629.db2.gz JRBJBPQIXUEEPF-STQMWFEESA-N 2 0 327.400 2.741 10 5 EFBERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086007 1287424836 /nfs/dbraw/zinc/42/48/36/1287424836.db2.gz SWIYXGGDHOYJBV-UONOGXRCSA-N 2 0 340.443 2.657 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510716 1312791941 /nfs/dbraw/zinc/79/19/41/1312791941.db2.gz JGHTZLDGMYJTKN-ZMYBRWDISA-N 2 0 344.459 2.556 10 5 EFBERP Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866206913 1303563048 /nfs/dbraw/zinc/56/30/48/1303563048.db2.gz GJYVHUAEVKSXQZ-DYVFJYSZSA-N 2 0 326.400 2.982 10 5 EFBERP C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC000723902258 715006778 /nfs/dbraw/zinc/00/67/78/715006778.db2.gz NVMGBNYISXBQOJ-ZYHUDNBSSA-N 2 0 342.237 2.774 10 5 EFBERP C[N@@H+]1C[C@]23C[NH+](CCc4ccc([N+](=O)[O-])cc4)C[C@@]2(C1)CCCC3 ZINC001620683390 1091142926 /nfs/dbraw/zinc/14/29/26/1091142926.db2.gz HDAUZWZOAHVLDF-KDURUIRLSA-N 2 0 329.444 2.945 10 5 EFBERP Cc1ccnc(N2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000349966450 142384248 /nfs/dbraw/zinc/38/42/48/142384248.db2.gz MQGXMJJTGQEHFX-UHFFFAOYSA-N 2 0 326.400 2.929 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420367817 290251119 /nfs/dbraw/zinc/25/11/19/290251119.db2.gz ACKXHPGJFGMCOW-XWIAVFTESA-N 2 0 333.432 2.874 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415106074 312095137 /nfs/dbraw/zinc/09/51/37/312095137.db2.gz JDEWAXFEUIPXMX-ROUUACIJSA-N 2 0 333.432 2.622 10 5 EFBERP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423206418 476963331 /nfs/dbraw/zinc/96/33/31/476963331.db2.gz WULIGCHARMMEHN-CQSZACIVSA-N 2 0 348.447 2.953 10 5 EFBERP Cc1c([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cccc1[N+](=O)[O-] ZINC000423504170 477051769 /nfs/dbraw/zinc/05/17/69/477051769.db2.gz GMQLSGBICVOJBG-GTPINHCMSA-N 2 0 346.475 2.770 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600762506 478509462 /nfs/dbraw/zinc/50/94/62/478509462.db2.gz CVUJDQFJCZEJAE-RDTXWAMCSA-N 2 0 333.432 2.746 10 5 EFBERP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600771536 478512282 /nfs/dbraw/zinc/51/22/82/478512282.db2.gz HNTAJYDGTSWQEX-AJNOYIKESA-N 2 0 345.443 2.699 10 5 EFBERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600778275 478516575 /nfs/dbraw/zinc/51/65/75/478516575.db2.gz XNYJEMQLCGDYMP-UHFFFAOYSA-N 2 0 333.388 2.523 10 5 EFBERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595058813 478644577 /nfs/dbraw/zinc/64/45/77/478644577.db2.gz CXJGNDWJSIGNHJ-HNAYVOBHSA-N 2 0 348.491 2.834 10 5 EFBERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000573360053 479048038 /nfs/dbraw/zinc/04/80/38/479048038.db2.gz BQUTYVKPTHYZEO-SUMWQHHRSA-N 2 0 330.432 2.939 10 5 EFBERP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595901468 479058943 /nfs/dbraw/zinc/05/89/43/479058943.db2.gz WNMYOFCQEMRQOM-INIZCTEOSA-N 2 0 333.432 2.685 10 5 EFBERP C[NH+](C)CCOC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599041795 479134793 /nfs/dbraw/zinc/13/47/93/479134793.db2.gz AWWNBOAHAWXFCB-UHFFFAOYSA-N 2 0 344.415 2.690 10 5 EFBERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593319983 479293967 /nfs/dbraw/zinc/29/39/67/479293967.db2.gz HDEPKTCXIJAYLT-FRAGRWOZSA-N 2 0 345.443 2.969 10 5 EFBERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593320372 479294040 /nfs/dbraw/zinc/29/40/40/479294040.db2.gz HDEPKTCXIJAYLT-GBQCJDKSSA-N 2 0 345.443 2.969 10 5 EFBERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349979172 535551134 /nfs/dbraw/zinc/55/11/34/535551134.db2.gz WCXHCDCUKSIBAG-SFHVURJKSA-N 2 0 335.448 2.836 10 5 EFBERP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000819073851 1276619735 /nfs/dbraw/zinc/61/97/35/1276619735.db2.gz QGMNYZJZJYCZKJ-GOSISDBHSA-N 2 0 347.390 2.619 10 5 EFBERP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925764466 1296875751 /nfs/dbraw/zinc/87/57/51/1296875751.db2.gz ZGJBQUMYDNFJNS-JTQLQIEISA-N 2 0 330.226 2.964 10 5 EFBERP O=[N+]([O-])c1ccc(OC2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903895049 1313368631 /nfs/dbraw/zinc/36/86/31/1313368631.db2.gz KCULVNKLEGIPAY-MQVJKMGUSA-N 2 0 345.443 2.969 10 5 EFBERP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956057 1313484019 /nfs/dbraw/zinc/48/40/19/1313484019.db2.gz GITUMEUVBHAIDF-TZMCWYRMSA-N 2 0 327.375 2.750 10 5 EFBERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925764019 717436471 /nfs/dbraw/zinc/43/64/71/717436471.db2.gz VFJDHDZJLZUNEZ-JOYOIKCWSA-N 2 0 328.210 2.574 10 5 EFBERP Cc1cc(N[C@@H](C)CN(C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001640146255 1101017623 /nfs/dbraw/zinc/01/76/23/1101017623.db2.gz LDIXYFGHZCYNJE-ZDUSSCGKSA-N 2 0 326.416 2.726 10 5 EFBERP [NH3+]C1CCC([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000051694162 214101070 /nfs/dbraw/zinc/10/10/70/214101070.db2.gz XVBDVXCTCLNANK-UHFFFAOYSA-N 2 0 328.210 2.717 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415106065 312095051 /nfs/dbraw/zinc/09/50/51/312095051.db2.gz JDEWAXFEUIPXMX-MSOLQXFVSA-N 2 0 333.432 2.622 10 5 EFBERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000193998543 473826540 /nfs/dbraw/zinc/82/65/40/473826540.db2.gz WXWPMBFHKXKPMB-IUODEOHRSA-N 2 0 336.392 2.665 10 5 EFBERP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423499847 477049536 /nfs/dbraw/zinc/04/95/36/477049536.db2.gz BGPKUSRTFGOJNG-TVPLGVNVSA-N 2 0 346.475 2.852 10 5 EFBERP Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1[N+](=O)[O-] ZINC000423524838 477062397 /nfs/dbraw/zinc/06/23/97/477062397.db2.gz XJZRCFJDTKIYTP-FAEJEUNOSA-N 2 0 346.475 2.770 10 5 EFBERP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600762489 478510252 /nfs/dbraw/zinc/51/02/52/478510252.db2.gz CVUJDQFJCZEJAE-KBXCAEBGSA-N 2 0 333.432 2.746 10 5 EFBERP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600771547 478513741 /nfs/dbraw/zinc/51/37/41/478513741.db2.gz HNTAJYDGTSWQEX-YZTRRJNXSA-N 2 0 345.443 2.699 10 5 EFBERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600778420 478516093 /nfs/dbraw/zinc/51/60/93/478516093.db2.gz YUQIIHSKXGXKEO-UHFFFAOYSA-N 2 0 349.456 2.991 10 5 EFBERP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600778223 478516455 /nfs/dbraw/zinc/51/64/55/478516455.db2.gz WVYJONFFEDIYJS-UHFFFAOYSA-N 2 0 335.429 2.778 10 5 EFBERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000573360050 479048710 /nfs/dbraw/zinc/04/87/10/479048710.db2.gz BQUTYVKPTHYZEO-CXAGYDPISA-N 2 0 330.432 2.939 10 5 EFBERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000593323038 479294898 /nfs/dbraw/zinc/29/48/98/479294898.db2.gz ONLJIYXQZWTGSE-SJORKVTESA-N 2 0 343.431 2.784 10 5 EFBERP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731511 479438371 /nfs/dbraw/zinc/43/83/71/479438371.db2.gz YMSXSIZFQKRSGN-NXHRZFHOSA-N 2 0 333.432 2.764 10 5 EFBERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846227182 1280077675 /nfs/dbraw/zinc/07/76/75/1280077675.db2.gz IQKFRPONQJJMAO-DJIMGWMZSA-N 2 0 337.395 2.595 10 5 EFBERP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001308091134 1324792827 /nfs/dbraw/zinc/79/28/27/1324792827.db2.gz XUGJOOCGIOLGLF-OAHLLOKOSA-N 2 0 342.399 2.579 10 5 EFBERP Cc1c([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000925845928 719753584 /nfs/dbraw/zinc/75/35/84/719753584.db2.gz PYVVSWPTHBJYKP-INIZCTEOSA-N 2 0 334.464 2.629 10 5 EFBERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349075234 285282754 /nfs/dbraw/zinc/28/27/54/285282754.db2.gz OCAXKBNPPCSNTD-IBGZPJMESA-N 2 0 348.491 2.751 10 5 EFBERP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@H]3CC[NH2+]C3)cs2)c1 ZINC000414827221 312054868 /nfs/dbraw/zinc/05/48/68/312054868.db2.gz GWBQYAZMLCMJNH-GFCCVEGCSA-N 2 0 332.429 2.808 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123041 312098055 /nfs/dbraw/zinc/09/80/55/312098055.db2.gz KPKQNYUBHVQQHO-SJLPKXTDSA-N 2 0 333.432 2.622 10 5 EFBERP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000067457273 472037165 /nfs/dbraw/zinc/03/71/65/472037165.db2.gz KNWIFSPYPOSFGU-HNNXBMFYSA-N 2 0 333.432 2.700 10 5 EFBERP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192813800 473730944 /nfs/dbraw/zinc/73/09/44/473730944.db2.gz AKROKAOSKGUWTJ-SJLPKXTDSA-N 2 0 333.432 2.673 10 5 EFBERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268454034 474987532 /nfs/dbraw/zinc/98/75/32/474987532.db2.gz WVEZSTPTSHNORX-UHFFFAOYSA-N 2 0 341.839 2.573 10 5 EFBERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000423208099 476963357 /nfs/dbraw/zinc/96/33/57/476963357.db2.gz YVKKPNZHXRLJTI-HUUCEWRRSA-N 2 0 335.452 2.916 10 5 EFBERP Cc1c([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595058442 478644849 /nfs/dbraw/zinc/64/48/49/478644849.db2.gz BOEMKDOCQKSAFA-HOCLYGCPSA-N 2 0 336.480 2.826 10 5 EFBERP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000595061773 478645996 /nfs/dbraw/zinc/64/59/96/478645996.db2.gz MSFOANQRZGFLKI-JKSUJKDBSA-N 2 0 336.480 2.826 10 5 EFBERP O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478613 478909026 /nfs/dbraw/zinc/90/90/26/478909026.db2.gz GBNUAWSYJGVETJ-JSGCOSHPSA-N 2 0 330.388 2.700 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316425 479291653 /nfs/dbraw/zinc/29/16/53/479291653.db2.gz RLJHBLWFENRIFJ-XYJFISCASA-N 2 0 333.432 2.622 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593323726 479295292 /nfs/dbraw/zinc/29/52/92/479295292.db2.gz WBXZFULGRBGZAC-CGTJXYLNSA-N 2 0 333.432 2.764 10 5 EFBERP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000619466097 479802137 /nfs/dbraw/zinc/80/21/37/479802137.db2.gz MBMZHZFWBZQCQB-BACDZXNISA-N 2 0 347.463 2.882 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450187 1261687572 /nfs/dbraw/zinc/68/75/72/1261687572.db2.gz FGZAOMFCTBTITF-HOCLYGCPSA-N 2 0 333.432 2.794 10 5 EFBERP O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506114 1261805161 /nfs/dbraw/zinc/80/51/61/1261805161.db2.gz HHNPFSCAXGHLDL-AWEZNQCLSA-N 2 0 333.432 2.902 10 5 EFBERP O=[N+]([O-])c1ccc(N2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923299846 1277510761 /nfs/dbraw/zinc/51/07/61/1277510761.db2.gz XYWOFSPQUARUIH-ALOPSCKCSA-N 2 0 344.459 2.638 10 5 EFBERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872035006 1287407908 /nfs/dbraw/zinc/40/79/08/1287407908.db2.gz JMZGIJCDINKCJI-ZIAGYGMSSA-N 2 0 339.411 2.621 10 5 EFBERP [NH3+]CC1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001332402256 1317350560 /nfs/dbraw/zinc/35/05/60/1317350560.db2.gz QIQBXDPAZMJTJB-UHFFFAOYSA-N 2 0 342.237 2.964 10 5 EFBERP C[NH2+]CCOc1ccc2cc3ccc(OCC[NH2+]C)cc3nc2c1 ZINC000029411938 202186423 /nfs/dbraw/zinc/18/64/23/202186423.db2.gz UUFBNWXGRUUKLK-UHFFFAOYSA-N 2 0 325.412 2.584 10 5 EFBERP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000414188234 244038316 /nfs/dbraw/zinc/03/83/16/244038316.db2.gz QHEKQOQEMNZLQK-JKSUJKDBSA-N 2 0 340.387 2.713 10 5 EFBERP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414860674 244375986 /nfs/dbraw/zinc/37/59/86/244375986.db2.gz QCJORFMCVHMMQK-CQSZACIVSA-N 2 0 348.447 2.953 10 5 EFBERP CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659968 250323622 /nfs/dbraw/zinc/32/36/22/250323622.db2.gz DVCKEISKEQMIOL-WBMJQRKESA-N 2 0 331.420 2.633 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415123039 312097917 /nfs/dbraw/zinc/09/79/17/312097917.db2.gz KPKQNYUBHVQQHO-AEFFLSMTSA-N 2 0 333.432 2.622 10 5 EFBERP O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000123316047 473126914 /nfs/dbraw/zinc/12/69/14/473126914.db2.gz ZUIFRNKWUOUPMX-UHFFFAOYSA-N 2 0 340.427 2.787 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245522227 473714578 /nfs/dbraw/zinc/71/45/78/473714578.db2.gz LPSDIZCWCAYJFA-HOTGVXAUSA-N 2 0 349.475 2.989 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182752482 474248671 /nfs/dbraw/zinc/24/86/71/474248671.db2.gz LPSDIZCWCAYJFA-CVEARBPZSA-N 2 0 349.475 2.989 10 5 EFBERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000283283613 474360127 /nfs/dbraw/zinc/36/01/27/474360127.db2.gz MFEQPODKVNFTGS-ZBFHGGJFSA-N 2 0 348.447 2.586 10 5 EFBERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000283283597 474360329 /nfs/dbraw/zinc/36/03/29/474360329.db2.gz MFEQPODKVNFTGS-GOEBONIOSA-N 2 0 348.447 2.586 10 5 EFBERP C[N@@H+]1CC[C@@]2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533524 477055768 /nfs/dbraw/zinc/05/57/68/477055768.db2.gz HRFRRTSILRIMBP-GOSISDBHSA-N 2 0 342.399 2.777 10 5 EFBERP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600756264 478506131 /nfs/dbraw/zinc/50/61/31/478506131.db2.gz HZWNXUYAUUNNCF-ZBFHGGJFSA-N 2 0 333.432 2.746 10 5 EFBERP COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000594734900 478520136 /nfs/dbraw/zinc/52/01/36/478520136.db2.gz GJTCMPMJHHYJNF-MRXNPFEDSA-N 2 0 333.432 2.815 10 5 EFBERP O=[N+]([O-])c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000594952333 478602345 /nfs/dbraw/zinc/60/23/45/478602345.db2.gz BXHFMDCIBJFCND-UHFFFAOYSA-N 2 0 339.461 2.637 10 5 EFBERP O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478612 478908655 /nfs/dbraw/zinc/90/86/55/478908655.db2.gz GBNUAWSYJGVETJ-GXTWGEPZSA-N 2 0 330.388 2.700 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316421 479291226 /nfs/dbraw/zinc/29/12/26/479291226.db2.gz RLJHBLWFENRIFJ-LZLYRXPVSA-N 2 0 333.432 2.622 10 5 EFBERP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322930 479294774 /nfs/dbraw/zinc/29/47/74/479294774.db2.gz QDTZZTFQYSZXDF-NUJGCVRESA-N 2 0 333.432 2.764 10 5 EFBERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593324047 479296214 /nfs/dbraw/zinc/29/62/14/479296214.db2.gz XLRMKDUJDAJVHI-XYPHTWIQSA-N 2 0 337.395 2.595 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593739160 479440254 /nfs/dbraw/zinc/44/02/54/479440254.db2.gz YLNUPRRIMMIVJX-GRZALLJUSA-N 2 0 333.432 2.874 10 5 EFBERP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000619466100 479802301 /nfs/dbraw/zinc/80/23/01/479802301.db2.gz MBMZHZFWBZQCQB-SJJHQCBESA-N 2 0 347.463 2.882 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247380000 526084927 /nfs/dbraw/zinc/08/49/27/526084927.db2.gz VUHLFMGGTDRFOB-LSDHHAIUSA-N 2 0 335.448 2.680 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450183 1261687338 /nfs/dbraw/zinc/68/73/38/1261687338.db2.gz FGZAOMFCTBTITF-GDBMZVCRSA-N 2 0 333.432 2.794 10 5 EFBERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000923450875 1261688164 /nfs/dbraw/zinc/68/81/64/1261688164.db2.gz XUODNUDNXUDLQR-AWEZNQCLSA-N 2 0 339.823 2.578 10 5 EFBERP C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1C[NH3+] ZINC000923494414 1261779517 /nfs/dbraw/zinc/77/95/17/1261779517.db2.gz WYRJFBOKXSIWFZ-QWRGUYRKSA-N 2 0 342.237 2.774 10 5 EFBERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872041667 1287409364 /nfs/dbraw/zinc/40/93/64/1287409364.db2.gz JRBJBPQIXUEEPF-OLZOCXBDSA-N 2 0 327.400 2.741 10 5 EFBERP C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510717 1312792367 /nfs/dbraw/zinc/79/23/67/1312792367.db2.gz JGHTZLDGMYJTKN-ZOCIIQOWSA-N 2 0 344.459 2.556 10 5 EFBERP Cc1c(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC001656474737 1102104056 /nfs/dbraw/zinc/10/40/56/1102104056.db2.gz NKMBTINKGASTTA-UHFFFAOYSA-N 2 0 347.459 2.716 10 5 EFBERP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000414188233 244037676 /nfs/dbraw/zinc/03/76/76/244037676.db2.gz QHEKQOQEMNZLQK-HZPDHXFCSA-N 2 0 340.387 2.713 10 5 EFBERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447537475 250573609 /nfs/dbraw/zinc/57/36/09/250573609.db2.gz WCWOYUUUNVZABL-IAGOWNOFSA-N 2 0 349.479 2.987 10 5 EFBERP CC[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447564210 250578964 /nfs/dbraw/zinc/57/89/64/250578964.db2.gz VWLJZPLGQJZNLI-IRXDYDNUSA-N 2 0 349.479 2.987 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000363868254 149023341 /nfs/dbraw/zinc/02/33/41/149023341.db2.gz NCYDEUSUOCTXMK-RYQLBKOJSA-N 2 0 333.432 2.587 10 5 EFBERP O=C(CC[NH+]1CCC(c2c[nH]cn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374202106 151300837 /nfs/dbraw/zinc/30/08/37/151300837.db2.gz ZICOGSWSNZUGSL-UHFFFAOYSA-N 2 0 343.387 2.526 10 5 EFBERP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047968192 472788450 /nfs/dbraw/zinc/78/84/50/472788450.db2.gz MSKSYBOGBPKSCY-UHFFFAOYSA-N 2 0 333.432 2.781 10 5 EFBERP Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181454290 474036852 /nfs/dbraw/zinc/03/68/52/474036852.db2.gz YGQMOGPVCQIBJB-HNNXBMFYSA-N 2 0 344.415 2.710 10 5 EFBERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447537477 477007845 /nfs/dbraw/zinc/00/78/45/477007845.db2.gz WCWOYUUUNVZABL-SJORKVTESA-N 2 0 349.479 2.987 10 5 EFBERP C[NH+](C)CCOCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000447590835 477018549 /nfs/dbraw/zinc/01/85/49/477018549.db2.gz FSNKFIJILKMUQP-LJQANCHMSA-N 2 0 343.427 2.852 10 5 EFBERP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000423499846 477049239 /nfs/dbraw/zinc/04/92/39/477049239.db2.gz BGPKUSRTFGOJNG-FAFZWHIHSA-N 2 0 346.475 2.852 10 5 EFBERP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000591275482 478504740 /nfs/dbraw/zinc/50/47/40/478504740.db2.gz GQJIEWVHVYTFPV-LBPRGKRZSA-N 2 0 343.383 2.676 10 5 EFBERP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600756261 478505596 /nfs/dbraw/zinc/50/55/96/478505596.db2.gz HZWNXUYAUUNNCF-HOCLYGCPSA-N 2 0 333.432 2.746 10 5 EFBERP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600772532 478513867 /nfs/dbraw/zinc/51/38/67/478513867.db2.gz DLVOZSICTJKGOC-UHFFFAOYSA-N 2 0 335.429 2.778 10 5 EFBERP COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000594734899 478520612 /nfs/dbraw/zinc/52/06/12/478520612.db2.gz GJTCMPMJHHYJNF-INIZCTEOSA-N 2 0 333.432 2.815 10 5 EFBERP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900424 479059123 /nfs/dbraw/zinc/05/91/23/479059123.db2.gz FWDBALIBPZWBHC-MRXNPFEDSA-N 2 0 333.432 2.685 10 5 EFBERP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000595900596 479059461 /nfs/dbraw/zinc/05/94/61/479059461.db2.gz HUHMVKKVLLVBGM-MRXNPFEDSA-N 2 0 333.432 2.685 10 5 EFBERP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596364114 479266773 /nfs/dbraw/zinc/26/67/73/479266773.db2.gz XXRFPRNKTZXGQI-AWEZNQCLSA-N 2 0 345.447 2.827 10 5 EFBERP [NH3+]CC1(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000593314900 479289705 /nfs/dbraw/zinc/28/97/05/479289705.db2.gz HKQRSYGAATUVBY-UHFFFAOYSA-N 2 0 332.429 2.937 10 5 EFBERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593323035 479295113 /nfs/dbraw/zinc/29/51/13/479295113.db2.gz ONLJIYXQZWTGSE-DLBZAZTESA-N 2 0 343.431 2.784 10 5 EFBERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000593323036 479295397 /nfs/dbraw/zinc/29/53/97/479295397.db2.gz ONLJIYXQZWTGSE-IAGOWNOFSA-N 2 0 343.431 2.784 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593739163 479440112 /nfs/dbraw/zinc/44/01/12/479440112.db2.gz YLNUPRRIMMIVJX-VUNQQRPYSA-N 2 0 333.432 2.874 10 5 EFBERP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000589497352 479533627 /nfs/dbraw/zinc/53/36/27/479533627.db2.gz PBPLHZTXNZBHGU-UHFFFAOYSA-N 2 0 349.431 2.545 10 5 EFBERP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000819073852 1276620264 /nfs/dbraw/zinc/62/02/64/1276620264.db2.gz QGMNYZJZJYCZKJ-SFHVURJKSA-N 2 0 347.390 2.619 10 5 EFBERP C[C@@H](O)CC[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180199785 1289458502 /nfs/dbraw/zinc/45/85/02/1289458502.db2.gz YIIISRBDUOMROW-MRXNPFEDSA-N 2 0 349.475 2.552 10 5 EFBERP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956055 1313483668 /nfs/dbraw/zinc/48/36/68/1313483668.db2.gz GITUMEUVBHAIDF-JSGCOSHPSA-N 2 0 327.375 2.750 10 5 EFBERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925764015 717436289 /nfs/dbraw/zinc/43/62/89/717436289.db2.gz VFJDHDZJLZUNEZ-CABZTGNLSA-N 2 0 328.210 2.574 10 5 EFBERP C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC001620542775 1090606920 /nfs/dbraw/zinc/60/69/20/1090606920.db2.gz JWHWDIFCRKRHGL-HNNXBMFYSA-N 2 0 342.399 2.579 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123040 312098187 /nfs/dbraw/zinc/09/81/87/312098187.db2.gz KPKQNYUBHVQQHO-FUHWJXTLSA-N 2 0 333.432 2.622 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415123042 312098223 /nfs/dbraw/zinc/09/82/23/312098223.db2.gz KPKQNYUBHVQQHO-WMZOPIPTSA-N 2 0 333.432 2.622 10 5 EFBERP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000516050020 315650056 /nfs/dbraw/zinc/65/00/56/315650056.db2.gz JABXKOSGNBDYIH-UHFFFAOYSA-N 2 0 348.447 2.633 10 5 EFBERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000105862392 472791513 /nfs/dbraw/zinc/79/15/13/472791513.db2.gz VUHLFMGGTDRFOB-GJZGRUSLSA-N 2 0 335.448 2.680 10 5 EFBERP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000051907939 473071739 /nfs/dbraw/zinc/07/17/39/473071739.db2.gz RMCQLWAUGBZXRP-UHFFFAOYSA-N 2 0 333.432 2.781 10 5 EFBERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255050248 474793737 /nfs/dbraw/zinc/79/37/37/474793737.db2.gz HTKWAFAQRNXGHC-WRLNGNIRSA-N 2 0 347.459 2.633 10 5 EFBERP CCC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447537476 477007451 /nfs/dbraw/zinc/00/74/51/477007451.db2.gz WCWOYUUUNVZABL-IRXDYDNUSA-N 2 0 349.479 2.987 10 5 EFBERP Cc1c([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cccc1[N+](=O)[O-] ZINC000423504171 477051810 /nfs/dbraw/zinc/05/18/10/477051810.db2.gz GMQLSGBICVOJBG-KLAILNCOSA-N 2 0 346.475 2.770 10 5 EFBERP [NH3+]CCCOCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000600709998 478478947 /nfs/dbraw/zinc/47/89/47/478478947.db2.gz MFWRTDIKNOWJOQ-SFHVURJKSA-N 2 0 329.400 2.639 10 5 EFBERP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOCC1 ZINC000600772479 478513466 /nfs/dbraw/zinc/51/34/66/478513466.db2.gz CVYCNIBZOCTFOT-UHFFFAOYSA-N 2 0 347.440 2.921 10 5 EFBERP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000595061771 478646596 /nfs/dbraw/zinc/64/65/96/478646596.db2.gz MSFOANQRZGFLKI-HOTGVXAUSA-N 2 0 336.480 2.826 10 5 EFBERP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000595901608 479059537 /nfs/dbraw/zinc/05/95/37/479059537.db2.gz YWRIXEHSMYYPRI-CQSZACIVSA-N 2 0 344.415 2.948 10 5 EFBERP C[NH+](C)C1(C)CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000872227196 1287486751 /nfs/dbraw/zinc/48/67/51/1287486751.db2.gz BEWYQMOMXGPVCH-UHFFFAOYSA-N 2 0 348.447 2.776 10 5 EFBERP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925764467 1296874937 /nfs/dbraw/zinc/87/49/37/1296874937.db2.gz ZGJBQUMYDNFJNS-SNVBAGLBSA-N 2 0 330.226 2.964 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000183454644 235087165 /nfs/dbraw/zinc/08/71/65/235087165.db2.gz IGVWSKSQESIHIK-HOTGVXAUSA-N 2 0 335.448 2.882 10 5 EFBERP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000444659967 250323308 /nfs/dbraw/zinc/32/33/08/250323308.db2.gz DVCKEISKEQMIOL-MLGOLLRUSA-N 2 0 331.420 2.633 10 5 EFBERP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375484 473367430 /nfs/dbraw/zinc/36/74/30/473367430.db2.gz NIBGCTWHRNLVDI-HNNXBMFYSA-N 2 0 334.464 2.614 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245522232 473715424 /nfs/dbraw/zinc/71/54/24/473715424.db2.gz LPSDIZCWCAYJFA-JKSUJKDBSA-N 2 0 349.475 2.989 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397285 477747438 /nfs/dbraw/zinc/74/74/38/477747438.db2.gz XBQYKIINGTUVRZ-MZMPZRCHSA-N 2 0 333.432 2.874 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397288 477748098 /nfs/dbraw/zinc/74/80/98/477748098.db2.gz XBQYKIINGTUVRZ-SKDZVZGDSA-N 2 0 333.432 2.874 10 5 EFBERP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH3+])CCOCC1 ZINC000600707437 478478917 /nfs/dbraw/zinc/47/89/17/478478917.db2.gz HPGKTQKFQNEDRJ-CYBMUJFWSA-N 2 0 339.461 2.563 10 5 EFBERP [NH3+]CCCOCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000600709997 478479296 /nfs/dbraw/zinc/47/92/96/478479296.db2.gz MFWRTDIKNOWJOQ-GOSISDBHSA-N 2 0 329.400 2.639 10 5 EFBERP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600771545 478512762 /nfs/dbraw/zinc/51/27/62/478512762.db2.gz HNTAJYDGTSWQEX-LKIHTYOGSA-N 2 0 345.443 2.699 10 5 EFBERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600771875 478514176 /nfs/dbraw/zinc/51/41/76/478514176.db2.gz BWQSGVNLNVTADW-UHFFFAOYSA-N 2 0 349.456 2.991 10 5 EFBERP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900423 479060272 /nfs/dbraw/zinc/06/02/72/479060272.db2.gz FWDBALIBPZWBHC-INIZCTEOSA-N 2 0 333.432 2.685 10 5 EFBERP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596362890 479265115 /nfs/dbraw/zinc/26/51/15/479265115.db2.gz DTXLQRMLGVVBJQ-AWEZNQCLSA-N 2 0 345.447 2.827 10 5 EFBERP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000619466099 479802603 /nfs/dbraw/zinc/80/26/03/479802603.db2.gz MBMZHZFWBZQCQB-GQGLESIBSA-N 2 0 347.463 2.882 10 5 EFBERP C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1CC[NH3+] ZINC000923429177 1261636549 /nfs/dbraw/zinc/63/65/49/1261636549.db2.gz QXKJBLGVXXJMEQ-GHMZBOCLSA-N 2 0 342.237 2.774 10 5 EFBERP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000819073250 1276621064 /nfs/dbraw/zinc/62/10/64/1276621064.db2.gz LNBZEJLOSJVRGN-GOSISDBHSA-N 2 0 347.390 2.619 10 5 EFBERP C[C@H](O)CC[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180199784 1289458349 /nfs/dbraw/zinc/45/83/49/1289458349.db2.gz YIIISRBDUOMROW-INIZCTEOSA-N 2 0 349.475 2.552 10 5 EFBERP C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511195 1312792676 /nfs/dbraw/zinc/79/26/76/1312792676.db2.gz WYLHIBFCGYRORD-OIISXLGYSA-N 2 0 344.459 2.556 10 5 EFBERP C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001186999086 1291077915 /nfs/dbraw/zinc/07/79/15/1291077915.db2.gz HUWTZWFOCSQESL-AWEZNQCLSA-N 2 0 349.479 2.553 10 5 EFBERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925764012 717436318 /nfs/dbraw/zinc/43/63/18/717436318.db2.gz VFJDHDZJLZUNEZ-BXKDBHETSA-N 2 0 328.210 2.574 10 5 EFBERP C[N@@H+]1C[C@@]23CN(CCOc4ccccc4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001656573986 1102124818 /nfs/dbraw/zinc/12/48/18/1102124818.db2.gz LMPDZAAZLWJBNC-KDURUIRLSA-N 2 0 345.443 2.781 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183454602 235087152 /nfs/dbraw/zinc/08/71/52/235087152.db2.gz IGVWSKSQESIHIK-IYBDPMFKSA-N 2 0 335.448 2.882 10 5 EFBERP COc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000414808975 244362258 /nfs/dbraw/zinc/36/22/58/244362258.db2.gz LPVBYNVSPDHIIZ-GFCCVEGCSA-N 2 0 345.399 2.922 10 5 EFBERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000105862394 204173104 /nfs/dbraw/zinc/17/31/04/204173104.db2.gz VUHLFMGGTDRFOB-CABCVRRESA-N 2 0 335.448 2.680 10 5 EFBERP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000344843219 142086799 /nfs/dbraw/zinc/08/67/99/142086799.db2.gz FMXVGRWEPPYELM-DTQAZKPQSA-N 2 0 333.432 2.700 10 5 EFBERP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351970857 146251875 /nfs/dbraw/zinc/25/18/75/146251875.db2.gz KRMHPRVMLIYPPV-UHFFFAOYSA-N 2 0 333.432 2.911 10 5 EFBERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121089420 472796691 /nfs/dbraw/zinc/79/66/91/472796691.db2.gz HTKWAFAQRNXGHC-YERXGYGTSA-N 2 0 347.459 2.633 10 5 EFBERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121089572 472797243 /nfs/dbraw/zinc/79/72/43/472797243.db2.gz HTKWAFAQRNXGHC-BIENSFFJSA-N 2 0 347.459 2.633 10 5 EFBERP Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123728005 473177714 /nfs/dbraw/zinc/17/77/14/473177714.db2.gz MROKTJXXKFFMSF-UKRRQHHQSA-N 2 0 348.447 2.646 10 5 EFBERP COCCN1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192813819 473731066 /nfs/dbraw/zinc/73/10/66/473731066.db2.gz AKROKAOSKGUWTJ-FUHWJXTLSA-N 2 0 333.432 2.673 10 5 EFBERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000283283605 474359515 /nfs/dbraw/zinc/35/95/15/474359515.db2.gz MFEQPODKVNFTGS-HOCLYGCPSA-N 2 0 348.447 2.586 10 5 EFBERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600775193 478515295 /nfs/dbraw/zinc/51/52/95/478515295.db2.gz LQJCSFACZHORFF-UHFFFAOYSA-N 2 0 333.388 2.523 10 5 EFBERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600778343 478516613 /nfs/dbraw/zinc/51/66/13/478516613.db2.gz YPCCRWSCKAOTOT-UHFFFAOYSA-N 2 0 333.388 2.523 10 5 EFBERP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000595000086 478623845 /nfs/dbraw/zinc/62/38/45/478623845.db2.gz BXQBADLHVWTBHV-UHFFFAOYSA-N 2 0 333.432 2.815 10 5 EFBERP Cc1c([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000595058440 478645251 /nfs/dbraw/zinc/64/52/51/478645251.db2.gz BOEMKDOCQKSAFA-GOEBONIOSA-N 2 0 336.480 2.826 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000595061473 478646255 /nfs/dbraw/zinc/64/62/55/478646255.db2.gz LCZJKHZPRJEXBY-JKSUJKDBSA-N 2 0 336.480 2.826 10 5 EFBERP O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000592478614 478908804 /nfs/dbraw/zinc/90/88/04/478908804.db2.gz GBNUAWSYJGVETJ-OCCSQVGLSA-N 2 0 330.388 2.700 10 5 EFBERP C[N+](C)(C)CCCCN1CC[C@](C[NH3+])(CCc2ccccc2)CC1=O ZINC000584645836 479198202 /nfs/dbraw/zinc/19/82/02/479198202.db2.gz VSYFDPZPPHMDTJ-OAQYLSRUSA-N 2 0 346.539 2.673 10 5 EFBERP C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000588959757 479462888 /nfs/dbraw/zinc/46/28/88/479462888.db2.gz OCDQCNVWAKFTKE-ZDUSSCGKSA-N 2 0 330.432 2.939 10 5 EFBERP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000588959495 479463208 /nfs/dbraw/zinc/46/32/08/479463208.db2.gz DSMHHZMNNRMDTO-HUUCEWRRSA-N 2 0 328.416 2.835 10 5 EFBERP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC([NH+]3CCCCC3)C2)n1 ZINC000619466098 479801733 /nfs/dbraw/zinc/80/17/33/479801733.db2.gz MBMZHZFWBZQCQB-BHUNQDJPSA-N 2 0 347.463 2.882 10 5 EFBERP C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1C[NH3+] ZINC000923494412 1261780067 /nfs/dbraw/zinc/78/00/67/1261780067.db2.gz WYRJFBOKXSIWFZ-GHMZBOCLSA-N 2 0 342.237 2.774 10 5 EFBERP COc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])cc1O ZINC000922848025 1267013263 /nfs/dbraw/zinc/01/32/63/1267013263.db2.gz KEZQEMVTXLNEDW-UHFFFAOYSA-N 2 0 349.431 2.806 10 5 EFBERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846227185 1280077707 /nfs/dbraw/zinc/07/77/07/1280077707.db2.gz IQKFRPONQJJMAO-PVAVHDDUSA-N 2 0 337.395 2.595 10 5 EFBERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872041666 1287409447 /nfs/dbraw/zinc/40/94/47/1287409447.db2.gz JRBJBPQIXUEEPF-CHWSQXEVSA-N 2 0 327.400 2.741 10 5 EFBERP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473809448 1397335041 /nfs/dbraw/zinc/33/50/41/1397335041.db2.gz ODTMFQIVNKIWEY-HNNXBMFYSA-N 2 0 342.399 2.579 10 5 EFBERP C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001560108891 1415263516 /nfs/dbraw/zinc/26/35/16/1415263516.db2.gz OLVZRXHZVUKEAG-OAHLLOKOSA-N 2 0 342.399 2.579 10 5 EFBERP C[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162158188 716703831 /nfs/dbraw/zinc/70/38/31/716703831.db2.gz CJMXRPUEHYVFST-UHFFFAOYSA-N 2 0 342.237 2.789 10 5 EFBERP O=[N+]([O-])c1ccc(CNCCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000414872558 244380613 /nfs/dbraw/zinc/38/06/13/244380613.db2.gz FRXAVBJMFSVIQU-UHFFFAOYSA-N 2 0 334.807 2.913 10 5 EFBERP Cc1ccncc1N1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000343634882 145258594 /nfs/dbraw/zinc/25/85/94/145258594.db2.gz FXYMICZIUUETAE-UHFFFAOYSA-N 2 0 326.400 2.929 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420367815 290251426 /nfs/dbraw/zinc/25/14/26/290251426.db2.gz ACKXHPGJFGMCOW-JEBQAFNWSA-N 2 0 333.432 2.874 10 5 EFBERP [NH3+]C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000423208500 476963445 /nfs/dbraw/zinc/96/34/45/476963445.db2.gz YVKKPNZHXRLJTI-LSDHHAIUSA-N 2 0 335.452 2.916 10 5 EFBERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447564209 477013952 /nfs/dbraw/zinc/01/39/52/477013952.db2.gz VWLJZPLGQJZNLI-IAGOWNOFSA-N 2 0 349.479 2.987 10 5 EFBERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411379714 477211735 /nfs/dbraw/zinc/21/17/35/477211735.db2.gz BQMDAKOBZPJGQM-WMLDXEAASA-N 2 0 348.447 2.586 10 5 EFBERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594962489 478608092 /nfs/dbraw/zinc/60/80/92/478608092.db2.gz FNUFHMNFDOHCBC-ZDUSSCGKSA-N 2 0 342.871 2.610 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593739162 479441041 /nfs/dbraw/zinc/44/10/41/479441041.db2.gz YLNUPRRIMMIVJX-VKZRIFJHSA-N 2 0 333.432 2.874 10 5 EFBERP CC[NH+](CC)CC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738070515 577430816 /nfs/dbraw/zinc/43/08/16/577430816.db2.gz IGDCNDIJRCTASP-UHFFFAOYSA-N 2 0 345.447 2.956 10 5 EFBERP C[N@@H+]1C[C@@]23CN(CCOc4ccc([N+](=O)[O-])cc4)C[C@]2(C1)CCCC3 ZINC001648660612 1092247237 /nfs/dbraw/zinc/24/72/37/1092247237.db2.gz MLYNVYFCJWLCDU-KDURUIRLSA-N 2 0 345.443 2.781 10 5 EFBERP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000414188228 244039965 /nfs/dbraw/zinc/03/99/65/244039965.db2.gz QHEKQOQEMNZLQK-CVEARBPZSA-N 2 0 340.387 2.713 10 5 EFBERP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659965 250323913 /nfs/dbraw/zinc/32/39/13/250323913.db2.gz DVCKEISKEQMIOL-BLLLJJGKSA-N 2 0 331.420 2.633 10 5 EFBERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349979171 142386547 /nfs/dbraw/zinc/38/65/47/142386547.db2.gz WCXHCDCUKSIBAG-GOSISDBHSA-N 2 0 335.448 2.836 10 5 EFBERP Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181454308 280626696 /nfs/dbraw/zinc/62/66/96/280626696.db2.gz YGQMOGPVCQIBJB-OAHLLOKOSA-N 2 0 344.415 2.710 10 5 EFBERP COc1ccc(-c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414825963 312054962 /nfs/dbraw/zinc/05/49/62/312054962.db2.gz DKNFYMCKCGUFSY-ZDUSSCGKSA-N 2 0 345.399 2.953 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634415 476491319 /nfs/dbraw/zinc/49/13/19/476491319.db2.gz WZADGYBQASYAOS-IBGZPJMESA-N 2 0 346.475 2.504 10 5 EFBERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594520248 478425369 /nfs/dbraw/zinc/42/53/69/478425369.db2.gz JGHRMYWQULBCHB-GSJFWJNXSA-N 2 0 329.347 2.626 10 5 EFBERP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000600708746 478479102 /nfs/dbraw/zinc/47/91/02/478479102.db2.gz FPIPSMQINCQGAB-SFHVURJKSA-N 2 0 329.400 2.510 10 5 EFBERP C[N+](C)(C)CCCCN1CC[C@@](C[NH3+])(CCc2ccccc2)CC1=O ZINC000584645833 479198212 /nfs/dbraw/zinc/19/82/12/479198212.db2.gz VSYFDPZPPHMDTJ-NRFANRHFSA-N 2 0 346.539 2.673 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593316417 479291111 /nfs/dbraw/zinc/29/11/11/479291111.db2.gz RLJHBLWFENRIFJ-JZXOWHBKSA-N 2 0 333.432 2.622 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593323728 479294623 /nfs/dbraw/zinc/29/46/23/479294623.db2.gz WBXZFULGRBGZAC-KBAYOESNSA-N 2 0 333.432 2.764 10 5 EFBERP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322928 479295463 /nfs/dbraw/zinc/29/54/63/479295463.db2.gz QDTZZTFQYSZXDF-LZLYRXPVSA-N 2 0 333.432 2.764 10 5 EFBERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593324046 479296402 /nfs/dbraw/zinc/29/64/02/479296402.db2.gz XLRMKDUJDAJVHI-XOKHGSTOSA-N 2 0 337.395 2.595 10 5 EFBERP O=[N+]([O-])c1ccccc1N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923297555 1261422017 /nfs/dbraw/zinc/42/20/17/1261422017.db2.gz JTVREHTUEGQGQR-ALOPSCKCSA-N 2 0 344.459 2.638 10 5 EFBERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846227184 1280076568 /nfs/dbraw/zinc/07/65/68/1280076568.db2.gz IQKFRPONQJJMAO-OIISXLGYSA-N 2 0 337.395 2.595 10 5 EFBERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846227183 1280077425 /nfs/dbraw/zinc/07/74/25/1280077425.db2.gz IQKFRPONQJJMAO-HYVNUMGLSA-N 2 0 337.395 2.595 10 5 EFBERP C[NH+](C)CCCCCOC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000747768488 1284882365 /nfs/dbraw/zinc/88/23/65/1284882365.db2.gz MQJMBRHDIGMEHK-UHFFFAOYSA-N 2 0 346.387 2.669 10 5 EFBERP C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1CC[NH3+] ZINC000903976824 1313524890 /nfs/dbraw/zinc/52/48/90/1313524890.db2.gz CHRKTGNHKWIGGO-GHMZBOCLSA-N 2 0 329.347 2.613 10 5 EFBERP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001308091126 1324793188 /nfs/dbraw/zinc/79/31/88/1324793188.db2.gz XUGJOOCGIOLGLF-HNNXBMFYSA-N 2 0 342.399 2.579 10 5 EFBERP Cc1c([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000925845929 719753561 /nfs/dbraw/zinc/75/35/61/719753561.db2.gz PYVVSWPTHBJYKP-MRXNPFEDSA-N 2 0 334.464 2.629 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397286 245669855 /nfs/dbraw/zinc/66/98/55/245669855.db2.gz XBQYKIINGTUVRZ-QBIMZIAESA-N 2 0 333.432 2.874 10 5 EFBERP Cc1cc(NCCCC[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272790482 266382705 /nfs/dbraw/zinc/38/27/05/266382705.db2.gz CAZMPJYFKDPSPM-UHFFFAOYSA-N 2 0 344.415 2.976 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420367813 290251190 /nfs/dbraw/zinc/25/11/90/290251190.db2.gz ACKXHPGJFGMCOW-FSPWUOQZSA-N 2 0 333.432 2.874 10 5 EFBERP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(C4CC4)CC3)c2c1 ZINC000577359239 320102977 /nfs/dbraw/zinc/10/29/77/320102977.db2.gz MLRZRSIMKXEFQV-UHFFFAOYSA-N 2 0 328.416 2.835 10 5 EFBERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255050247 474793506 /nfs/dbraw/zinc/79/35/06/474793506.db2.gz HTKWAFAQRNXGHC-GMNBZTITSA-N 2 0 347.459 2.633 10 5 EFBERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411379713 477211321 /nfs/dbraw/zinc/21/13/21/477211321.db2.gz BQMDAKOBZPJGQM-RHSMWYFYSA-N 2 0 348.447 2.586 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000594952324 478600689 /nfs/dbraw/zinc/60/06/89/478600689.db2.gz BPOIKNCTBXPCDT-UHFFFAOYSA-N 2 0 347.459 2.884 10 5 EFBERP O=[N+]([O-])c1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000594956914 478604030 /nfs/dbraw/zinc/60/40/30/478604030.db2.gz XMONYEGLKSJREO-UHFFFAOYSA-N 2 0 333.432 2.575 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601069724 478641779 /nfs/dbraw/zinc/64/17/79/478641779.db2.gz VVQRGFZUBNJUGK-UHFFFAOYSA-N 2 0 341.415 2.662 10 5 EFBERP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901246 479059775 /nfs/dbraw/zinc/05/97/75/479059775.db2.gz TWJFVNLEVNLRMO-HNNXBMFYSA-N 2 0 333.432 2.815 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593316413 479291312 /nfs/dbraw/zinc/29/13/12/479291312.db2.gz RLJHBLWFENRIFJ-BQFCYCMXSA-N 2 0 333.432 2.622 10 5 EFBERP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000611287775 479337928 /nfs/dbraw/zinc/33/79/28/479337928.db2.gz HVPALQFOABZODK-KBPBESRZSA-N 2 0 329.425 2.975 10 5 EFBERP C[C@@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407711 479370432 /nfs/dbraw/zinc/37/04/32/479370432.db2.gz MWFKGSQDIXYXHO-NVXWUHKLSA-N 2 0 343.427 2.738 10 5 EFBERP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731509 479437534 /nfs/dbraw/zinc/43/75/34/479437534.db2.gz YMSXSIZFQKRSGN-JQHSSLGASA-N 2 0 333.432 2.764 10 5 EFBERP O=C(CC[NH2+]C1CC[NH+](C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000579222768 479675622 /nfs/dbraw/zinc/67/56/22/479675622.db2.gz DSAUCLPDXPTWSK-UHFFFAOYSA-N 2 0 346.431 2.530 10 5 EFBERP O=[N+]([O-])c1cccc(N2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000923321942 1261472378 /nfs/dbraw/zinc/47/23/78/1261472378.db2.gz JUXMMFFHANZUDS-ALOPSCKCSA-N 2 0 344.459 2.638 10 5 EFBERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000923448261 1261669051 /nfs/dbraw/zinc/66/90/51/1261669051.db2.gz ANSJQWXIFOITMX-AWEZNQCLSA-N 2 0 339.823 2.578 10 5 EFBERP CC[NH+](CC)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738071614 1268310761 /nfs/dbraw/zinc/31/07/61/1268310761.db2.gz SSBOTJHXEZQTPE-UHFFFAOYSA-N 2 0 345.447 2.956 10 5 EFBERP Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866206915 1303563303 /nfs/dbraw/zinc/56/33/03/1303563303.db2.gz GJYVHUAEVKSXQZ-SUMWQHHRSA-N 2 0 326.400 2.982 10 5 EFBERP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473809553 1397335210 /nfs/dbraw/zinc/33/52/10/1397335210.db2.gz ODTMFQIVNKIWEY-OAHLLOKOSA-N 2 0 342.399 2.579 10 5 EFBERP C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCN1c1cc[nH+]cc1 ZINC001620542776 1090607517 /nfs/dbraw/zinc/60/75/17/1090607517.db2.gz JWHWDIFCRKRHGL-OAHLLOKOSA-N 2 0 342.399 2.579 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000183373601 235033349 /nfs/dbraw/zinc/03/33/49/235033349.db2.gz DPNUMNAUAYHYEA-UHFFFAOYSA-N 2 0 347.459 2.980 10 5 EFBERP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000414860672 244375768 /nfs/dbraw/zinc/37/57/68/244375768.db2.gz QCJORFMCVHMMQK-AWEZNQCLSA-N 2 0 348.447 2.953 10 5 EFBERP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000562987594 318723163 /nfs/dbraw/zinc/72/31/63/318723163.db2.gz STEZVDCPSZQTCN-UHFFFAOYSA-N 2 0 348.447 2.635 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182752458 474249046 /nfs/dbraw/zinc/24/90/46/474249046.db2.gz LPSDIZCWCAYJFA-HZPDHXFCSA-N 2 0 349.475 2.989 10 5 EFBERP [NH3+]C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000423208098 476963802 /nfs/dbraw/zinc/96/38/02/476963802.db2.gz YVKKPNZHXRLJTI-GJZGRUSLSA-N 2 0 335.452 2.916 10 5 EFBERP O=[N+]([O-])c1ccc(CN2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000375716290 476968230 /nfs/dbraw/zinc/96/82/30/476968230.db2.gz AUMWGDQTAPKCIP-UHFFFAOYSA-N 2 0 331.332 2.606 10 5 EFBERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447564211 477013392 /nfs/dbraw/zinc/01/33/92/477013392.db2.gz VWLJZPLGQJZNLI-SJORKVTESA-N 2 0 349.479 2.987 10 5 EFBERP Cc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1[N+](=O)[O-] ZINC000423524850 477061640 /nfs/dbraw/zinc/06/16/40/477061640.db2.gz XJZRCFJDTKIYTP-ZLPCBKJTSA-N 2 0 346.475 2.770 10 5 EFBERP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000591275481 478504920 /nfs/dbraw/zinc/50/49/20/478504920.db2.gz GQJIEWVHVYTFPV-GFCCVEGCSA-N 2 0 343.383 2.676 10 5 EFBERP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600756259 478506622 /nfs/dbraw/zinc/50/66/22/478506622.db2.gz HZWNXUYAUUNNCF-GOEBONIOSA-N 2 0 333.432 2.746 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600762494 478510181 /nfs/dbraw/zinc/51/01/81/478510181.db2.gz CVUJDQFJCZEJAE-KDOFPFPSSA-N 2 0 333.432 2.746 10 5 EFBERP O=[N+]([O-])c1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000594955942 478601967 /nfs/dbraw/zinc/60/19/67/478601967.db2.gz QJJMKWQGNWSWLB-UHFFFAOYSA-N 2 0 333.432 2.575 10 5 EFBERP Cc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000594954438 478602828 /nfs/dbraw/zinc/60/28/28/478602828.db2.gz LNMSTJCOJPMWDV-UHFFFAOYSA-N 2 0 347.459 2.884 10 5 EFBERP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596361942 479265308 /nfs/dbraw/zinc/26/53/08/479265308.db2.gz NDRUNEDMSDURCY-AWEZNQCLSA-N 2 0 345.447 2.827 10 5 EFBERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000593319982 479293348 /nfs/dbraw/zinc/29/33/48/479293348.db2.gz HDEPKTCXIJAYLT-BYSCVUIBSA-N 2 0 345.443 2.969 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000599620364 479355476 /nfs/dbraw/zinc/35/54/76/479355476.db2.gz ZRTQRQITHDCQBL-OAHLLOKOSA-N 2 0 333.432 2.843 10 5 EFBERP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cccc1[N+](=O)[O-] ZINC000593731510 479437362 /nfs/dbraw/zinc/43/73/62/479437362.db2.gz YMSXSIZFQKRSGN-KBAYOESNSA-N 2 0 333.432 2.764 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593739161 479440777 /nfs/dbraw/zinc/44/07/77/479440777.db2.gz YLNUPRRIMMIVJX-NOVWEMISSA-N 2 0 333.432 2.874 10 5 EFBERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000923448262 1261669442 /nfs/dbraw/zinc/66/94/42/1261669442.db2.gz ANSJQWXIFOITMX-CQSZACIVSA-N 2 0 339.823 2.578 10 5 EFBERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000923450876 1261687541 /nfs/dbraw/zinc/68/75/41/1261687541.db2.gz XUODNUDNXUDLQR-CQSZACIVSA-N 2 0 339.823 2.578 10 5 EFBERP C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1C[NH3+] ZINC000923494416 1261779934 /nfs/dbraw/zinc/77/99/34/1261779934.db2.gz WYRJFBOKXSIWFZ-WDEREUQCSA-N 2 0 342.237 2.774 10 5 EFBERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086006 1287424684 /nfs/dbraw/zinc/42/46/84/1287424684.db2.gz SWIYXGGDHOYJBV-KBPBESRZSA-N 2 0 340.443 2.657 10 5 EFBERP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956056 1313484134 /nfs/dbraw/zinc/48/41/34/1313484134.db2.gz GITUMEUVBHAIDF-OCCSQVGLSA-N 2 0 327.375 2.750 10 5 EFBERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578019 1299616543 /nfs/dbraw/zinc/61/65/43/1299616543.db2.gz AAJBXTSGKVJUQQ-SFHVURJKSA-N 2 0 335.448 2.682 10 5 EFBERP Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866206912 1303562738 /nfs/dbraw/zinc/56/27/38/1303562738.db2.gz GJYVHUAEVKSXQZ-CXAGYDPISA-N 2 0 326.400 2.982 10 5 EFBERP Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866206914 1303562799 /nfs/dbraw/zinc/56/27/99/1303562799.db2.gz GJYVHUAEVKSXQZ-GUYCJALGSA-N 2 0 326.400 2.982 10 5 EFBERP [NH3+]C1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162770780 721090025 /nfs/dbraw/zinc/09/00/25/721090025.db2.gz YLPAAZVKHUBLPD-UHFFFAOYSA-N 2 0 328.210 2.717 10 5 EFBERP COc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000414808978 244361895 /nfs/dbraw/zinc/36/18/95/244361895.db2.gz LPVBYNVSPDHIIZ-LBPRGKRZSA-N 2 0 345.399 2.922 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368211504 150066873 /nfs/dbraw/zinc/06/68/73/150066873.db2.gz GSGRZWPYSXXHAO-UHFFFAOYSA-N 2 0 347.459 2.838 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420367811 290250661 /nfs/dbraw/zinc/25/06/61/290250661.db2.gz ACKXHPGJFGMCOW-BVGQSLNGSA-N 2 0 333.432 2.874 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415106071 312095169 /nfs/dbraw/zinc/09/51/69/312095169.db2.gz JDEWAXFEUIPXMX-QZTJIDSGSA-N 2 0 333.432 2.622 10 5 EFBERP CC(C)c1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000578819247 320241211 /nfs/dbraw/zinc/24/12/11/320241211.db2.gz GZTNVXJAWJXMCR-UHFFFAOYSA-N 2 0 336.480 2.643 10 5 EFBERP C[NH+](C)CCCn1c2ccc([N+](=O)[O-])cc2nc1CC[NH+]1CCCC1 ZINC000002017851 471400200 /nfs/dbraw/zinc/40/02/00/471400200.db2.gz GGNACQZWWXXBSL-UHFFFAOYSA-N 2 0 345.447 2.535 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000067457274 472036436 /nfs/dbraw/zinc/03/64/36/472036436.db2.gz KNWIFSPYPOSFGU-OAHLLOKOSA-N 2 0 333.432 2.700 10 5 EFBERP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000195352551 474063339 /nfs/dbraw/zinc/06/33/39/474063339.db2.gz YENLCDFQQYDLPI-UHFFFAOYSA-N 2 0 333.432 2.781 10 5 EFBERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCCC1 ZINC000423208097 476963627 /nfs/dbraw/zinc/96/36/27/476963627.db2.gz YVKKPNZHXRLJTI-CABCVRRESA-N 2 0 335.452 2.916 10 5 EFBERP C[N@@H+]1CC[C@]2(CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000366533525 477056302 /nfs/dbraw/zinc/05/63/02/477056302.db2.gz HRFRRTSILRIMBP-SFHVURJKSA-N 2 0 342.399 2.777 10 5 EFBERP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600762500 478510212 /nfs/dbraw/zinc/51/02/12/478510212.db2.gz CVUJDQFJCZEJAE-KSSFIOAISA-N 2 0 333.432 2.746 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000595061472 478646640 /nfs/dbraw/zinc/64/66/40/478646640.db2.gz LCZJKHZPRJEXBY-HOTGVXAUSA-N 2 0 336.480 2.826 10 5 EFBERP C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592527179 478934592 /nfs/dbraw/zinc/93/45/92/478934592.db2.gz MDICALJWDGZIAM-FOWTUZBSSA-N 2 0 345.443 2.795 10 5 EFBERP C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592527181 478934716 /nfs/dbraw/zinc/93/47/16/478934716.db2.gz MDICALJWDGZIAM-VBKFSLOCSA-N 2 0 345.443 2.795 10 5 EFBERP C[C@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407712 479371030 /nfs/dbraw/zinc/37/10/30/479371030.db2.gz MWFKGSQDIXYXHO-RDJZCZTQSA-N 2 0 343.427 2.738 10 5 EFBERP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000588959492 479463301 /nfs/dbraw/zinc/46/33/01/479463301.db2.gz DSMHHZMNNRMDTO-GJZGRUSLSA-N 2 0 328.416 2.835 10 5 EFBERP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450191 1261687978 /nfs/dbraw/zinc/68/79/78/1261687978.db2.gz FGZAOMFCTBTITF-ZBFHGGJFSA-N 2 0 333.432 2.794 10 5 EFBERP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]C3CCOCC3)CC2)cc1 ZINC000952992892 1284969503 /nfs/dbraw/zinc/96/95/03/1284969503.db2.gz DKLMIGABPQWLOY-UHFFFAOYSA-N 2 0 347.459 2.618 10 5 EFBERP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956054 1313484061 /nfs/dbraw/zinc/48/40/61/1313484061.db2.gz GITUMEUVBHAIDF-GXTWGEPZSA-N 2 0 327.375 2.750 10 5 EFBERP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423206417 246598420 /nfs/dbraw/zinc/59/84/20/246598420.db2.gz WULIGCHARMMEHN-AWEZNQCLSA-N 2 0 348.447 2.953 10 5 EFBERP COc1ccc(-c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000414825960 312055020 /nfs/dbraw/zinc/05/50/20/312055020.db2.gz DKNFYMCKCGUFSY-CYBMUJFWSA-N 2 0 345.399 2.953 10 5 EFBERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000283283588 474360438 /nfs/dbraw/zinc/36/04/38/474360438.db2.gz MFEQPODKVNFTGS-GDBMZVCRSA-N 2 0 348.447 2.586 10 5 EFBERP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000353186343 475754020 /nfs/dbraw/zinc/75/40/20/475754020.db2.gz DVRMARRRODXJSL-UHFFFAOYSA-N 2 0 339.461 2.520 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634416 476490577 /nfs/dbraw/zinc/49/05/77/476490577.db2.gz WZADGYBQASYAOS-LJQANCHMSA-N 2 0 346.475 2.504 10 5 EFBERP CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000444659966 476727406 /nfs/dbraw/zinc/72/74/06/476727406.db2.gz DVCKEISKEQMIOL-LRDDRELGSA-N 2 0 331.420 2.633 10 5 EFBERP CCC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447537474 477007917 /nfs/dbraw/zinc/00/79/17/477007917.db2.gz WCWOYUUUNVZABL-DLBZAZTESA-N 2 0 349.479 2.987 10 5 EFBERP CC[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447564208 477013564 /nfs/dbraw/zinc/01/35/64/477013564.db2.gz VWLJZPLGQJZNLI-DLBZAZTESA-N 2 0 349.479 2.987 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397287 477747626 /nfs/dbraw/zinc/74/76/26/477747626.db2.gz XBQYKIINGTUVRZ-RPVQJOFSSA-N 2 0 333.432 2.874 10 5 EFBERP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH3+])CCOCC1 ZINC000600707442 478479408 /nfs/dbraw/zinc/47/94/08/478479408.db2.gz HPGKTQKFQNEDRJ-ZDUSSCGKSA-N 2 0 339.461 2.563 10 5 EFBERP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600756257 478505667 /nfs/dbraw/zinc/50/56/67/478505667.db2.gz HZWNXUYAUUNNCF-GDBMZVCRSA-N 2 0 333.432 2.746 10 5 EFBERP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600771546 478512881 /nfs/dbraw/zinc/51/28/81/478512881.db2.gz HNTAJYDGTSWQEX-YWPBOTNQSA-N 2 0 345.443 2.699 10 5 EFBERP O=[N+]([O-])c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000594955953 478602412 /nfs/dbraw/zinc/60/24/12/478602412.db2.gz QRLGRSZKDGMLFS-UHFFFAOYSA-N 2 0 333.432 2.575 10 5 EFBERP CC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000573360052 479048327 /nfs/dbraw/zinc/04/83/27/479048327.db2.gz BQUTYVKPTHYZEO-GUYCJALGSA-N 2 0 330.432 2.939 10 5 EFBERP CC[N@@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)C1 ZINC000573360051 479048763 /nfs/dbraw/zinc/04/87/63/479048763.db2.gz BQUTYVKPTHYZEO-DYVFJYSZSA-N 2 0 330.432 2.939 10 5 EFBERP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000595900595 479060173 /nfs/dbraw/zinc/06/01/73/479060173.db2.gz HUHMVKKVLLVBGM-INIZCTEOSA-N 2 0 333.432 2.685 10 5 EFBERP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595901469 479060253 /nfs/dbraw/zinc/06/02/53/479060253.db2.gz WNMYOFCQEMRQOM-MRXNPFEDSA-N 2 0 333.432 2.685 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593323727 479294530 /nfs/dbraw/zinc/29/45/30/479294530.db2.gz WBXZFULGRBGZAC-JQHSSLGASA-N 2 0 333.432 2.764 10 5 EFBERP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322926 479294708 /nfs/dbraw/zinc/29/47/08/479294708.db2.gz QDTZZTFQYSZXDF-JZXOWHBKSA-N 2 0 333.432 2.764 10 5 EFBERP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593322925 479295096 /nfs/dbraw/zinc/29/50/96/479295096.db2.gz QDTZZTFQYSZXDF-JFIYKMOQSA-N 2 0 333.432 2.764 10 5 EFBERP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000599620363 479355430 /nfs/dbraw/zinc/35/54/30/479355430.db2.gz ZRTQRQITHDCQBL-HNNXBMFYSA-N 2 0 333.432 2.843 10 5 EFBERP C[C@@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407713 479370663 /nfs/dbraw/zinc/37/06/63/479370663.db2.gz MWFKGSQDIXYXHO-WBVHZDCISA-N 2 0 343.427 2.738 10 5 EFBERP C[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407710 479370724 /nfs/dbraw/zinc/37/07/24/479370724.db2.gz MWFKGSQDIXYXHO-DOTOQJQBSA-N 2 0 343.427 2.738 10 5 EFBERP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000588959498 479462600 /nfs/dbraw/zinc/46/26/00/479462600.db2.gz DSMHHZMNNRMDTO-LSDHHAIUSA-N 2 0 328.416 2.835 10 5 EFBERP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000588959490 479463360 /nfs/dbraw/zinc/46/33/60/479463360.db2.gz DSMHHZMNNRMDTO-CABCVRRESA-N 2 0 328.416 2.835 10 5 EFBERP O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506115 1261804881 /nfs/dbraw/zinc/80/48/81/1261804881.db2.gz HHNPFSCAXGHLDL-CQSZACIVSA-N 2 0 333.432 2.902 10 5 EFBERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872041668 1287409556 /nfs/dbraw/zinc/40/95/56/1287409556.db2.gz JRBJBPQIXUEEPF-QWHCGFSZSA-N 2 0 327.400 2.741 10 5 EFBERP C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511194 1312793219 /nfs/dbraw/zinc/79/32/19/1312793219.db2.gz WYLHIBFCGYRORD-BHYGNILZSA-N 2 0 344.459 2.556 10 5 EFBERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578014 1299616158 /nfs/dbraw/zinc/61/61/58/1299616158.db2.gz AAJBXTSGKVJUQQ-GOSISDBHSA-N 2 0 335.448 2.682 10 5 EFBERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750039809 1311047167 /nfs/dbraw/zinc/04/71/67/1311047167.db2.gz KKVHGEFEVZSEGP-GOSISDBHSA-N 2 0 335.448 2.682 10 5 EFBERP C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCN1c1cc[nH+]cc1 ZINC001560108890 1415263489 /nfs/dbraw/zinc/26/34/89/1415263489.db2.gz OLVZRXHZVUKEAG-HNNXBMFYSA-N 2 0 342.399 2.579 10 5 EFBERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000925764022 717437195 /nfs/dbraw/zinc/43/71/95/717437195.db2.gz VFJDHDZJLZUNEZ-SKDRFNHKSA-N 2 0 328.210 2.574 10 5 EFBERP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000183454627 235086456 /nfs/dbraw/zinc/08/64/56/235086456.db2.gz IGVWSKSQESIHIK-HZPDHXFCSA-N 2 0 335.448 2.882 10 5 EFBERP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c[nH+]cn3c2)n1 ZINC000414188232 244039133 /nfs/dbraw/zinc/03/91/33/244039133.db2.gz QHEKQOQEMNZLQK-HOTGVXAUSA-N 2 0 340.387 2.713 10 5 EFBERP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000344843220 142086639 /nfs/dbraw/zinc/08/66/39/142086639.db2.gz FMXVGRWEPPYELM-SSZFMOIBSA-N 2 0 333.432 2.700 10 5 EFBERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349075235 146048271 /nfs/dbraw/zinc/04/82/71/146048271.db2.gz OCAXKBNPPCSNTD-LJQANCHMSA-N 2 0 348.491 2.751 10 5 EFBERP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000414827222 312054839 /nfs/dbraw/zinc/05/48/39/312054839.db2.gz GWBQYAZMLCMJNH-LBPRGKRZSA-N 2 0 332.429 2.808 10 5 EFBERP O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000567700169 319200044 /nfs/dbraw/zinc/20/00/44/319200044.db2.gz GJNGPMVQTUDOIA-UHFFFAOYSA-N 2 0 346.431 2.530 10 5 EFBERP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375502 473367018 /nfs/dbraw/zinc/36/70/18/473367018.db2.gz NIBGCTWHRNLVDI-OAHLLOKOSA-N 2 0 334.464 2.614 10 5 EFBERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000247379994 474132850 /nfs/dbraw/zinc/13/28/50/474132850.db2.gz VUHLFMGGTDRFOB-HUUCEWRRSA-N 2 0 335.448 2.680 10 5 EFBERP C[NH+](C)CCOCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000447590834 477018690 /nfs/dbraw/zinc/01/86/90/477018690.db2.gz FSNKFIJILKMUQP-IBGZPJMESA-N 2 0 343.427 2.852 10 5 EFBERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411379715 477211120 /nfs/dbraw/zinc/21/11/20/477211120.db2.gz BQMDAKOBZPJGQM-YOEHRIQHSA-N 2 0 348.447 2.586 10 5 EFBERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000411379712 477211553 /nfs/dbraw/zinc/21/15/53/477211553.db2.gz BQMDAKOBZPJGQM-PBHICJAKSA-N 2 0 348.447 2.586 10 5 EFBERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595058825 478645397 /nfs/dbraw/zinc/64/53/97/478645397.db2.gz CXJGNDWJSIGNHJ-KXBFYZLASA-N 2 0 348.491 2.834 10 5 EFBERP C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1CC[NH2+]C2 ZINC000595894846 479055875 /nfs/dbraw/zinc/05/58/75/479055875.db2.gz ZLBLAZCUGIKHLJ-UHFFFAOYSA-N 2 0 325.412 2.915 10 5 EFBERP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)nc2c1 ZINC000595901607 479059413 /nfs/dbraw/zinc/05/94/13/479059413.db2.gz YWRIXEHSMYYPRI-AWEZNQCLSA-N 2 0 344.415 2.948 10 5 EFBERP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901247 479060013 /nfs/dbraw/zinc/06/00/13/479060013.db2.gz TWJFVNLEVNLRMO-OAHLLOKOSA-N 2 0 333.432 2.815 10 5 EFBERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000593320373 479293629 /nfs/dbraw/zinc/29/36/29/479293629.db2.gz HDEPKTCXIJAYLT-IWJYJPLXSA-N 2 0 345.443 2.969 10 5 EFBERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593324043 479296535 /nfs/dbraw/zinc/29/65/35/479296535.db2.gz XLRMKDUJDAJVHI-COXVUDFISA-N 2 0 337.395 2.595 10 5 EFBERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000593324045 479296870 /nfs/dbraw/zinc/29/68/70/479296870.db2.gz XLRMKDUJDAJVHI-KBRIMQKVSA-N 2 0 337.395 2.595 10 5 EFBERP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000611287776 479338372 /nfs/dbraw/zinc/33/83/72/479338372.db2.gz HVPALQFOABZODK-ZIAGYGMSSA-N 2 0 329.425 2.975 10 5 EFBERP C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC[NH+](C)CC1 ZINC000588959752 479463322 /nfs/dbraw/zinc/46/33/22/479463322.db2.gz OCDQCNVWAKFTKE-CYBMUJFWSA-N 2 0 330.432 2.939 10 5 EFBERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000903974229 1313521282 /nfs/dbraw/zinc/52/12/82/1313521282.db2.gz MNYGXHMDNAFDBU-GHMZBOCLSA-N 2 0 329.347 2.531 10 5 EFBERP