smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]ncc1CCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000079129696 542502090 /nfs/dbraw/zinc/50/20/90/542502090.db2.gz HTXBGVIQGBHFPC-UHFFFAOYSA-N 0 1 371.485 2.329 20 10 FECDMN CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093707700 542939522 /nfs/dbraw/zinc/93/95/22/542939522.db2.gz PZQOIUHBRWPCCX-UHFFFAOYSA-N 0 1 350.824 2.209 20 10 FECDMN CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093707700 542939523 /nfs/dbraw/zinc/93/95/23/542939523.db2.gz PZQOIUHBRWPCCX-UHFFFAOYSA-N 0 1 350.824 2.209 20 10 FECDMN C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)Cc1ccccc1O ZINC000111235253 543388722 /nfs/dbraw/zinc/38/87/22/543388722.db2.gz PBZQMDZZIPGZFQ-HOCLYGCPSA-N 0 1 356.422 2.169 20 10 FECDMN CCCC(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134261075 544300503 /nfs/dbraw/zinc/30/05/03/544300503.db2.gz PRWKUOAIGBYVSN-HNNXBMFYSA-N 0 1 367.877 2.043 20 10 FECDMN CCCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134261056 544300772 /nfs/dbraw/zinc/30/07/72/544300772.db2.gz PRWKUOAIGBYVSN-OAHLLOKOSA-N 0 1 367.877 2.043 20 10 FECDMN C[C@@H](CN1CCOCC1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804917463 674306535 /nfs/dbraw/zinc/30/65/35/674306535.db2.gz PQYIUOSBBBHHNZ-JTQLQIEISA-N 0 1 362.257 2.219 20 10 FECDMN CCn1nccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135995 674321804 /nfs/dbraw/zinc/32/18/04/674321804.db2.gz YLALPUBEGUAWRG-UHFFFAOYSA-N 0 1 350.227 2.394 20 10 FECDMN CC(=O)OCCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135013 674321857 /nfs/dbraw/zinc/32/18/57/674321857.db2.gz DPXVQVNCNBLEJF-UHFFFAOYSA-N 0 1 356.227 2.072 20 10 FECDMN C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000156543235 545634896 /nfs/dbraw/zinc/63/48/96/545634896.db2.gz BBWRLTIYLFTLSH-LPHOPBHVSA-N 0 1 355.486 2.148 20 10 FECDMN CCN(CC(=O)NC[C@@H]1CCCO1)Cc1cc(Br)ccc1O ZINC000174422952 546295568 /nfs/dbraw/zinc/29/55/68/546295568.db2.gz UWKJVPUQPXQFGG-AWEZNQCLSA-N 0 1 371.275 2.272 20 10 FECDMN O=C([C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1)N1CCOCC1 ZINC000191206456 548341880 /nfs/dbraw/zinc/34/18/80/548341880.db2.gz BMGFPNSPPQYSOA-GFCCVEGCSA-N 0 1 356.825 2.256 20 10 FECDMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000245742309 548986300 /nfs/dbraw/zinc/98/63/00/548986300.db2.gz RUJDLOSTWJVUKP-PXFQQHSPSA-N 0 1 360.454 2.211 20 10 FECDMN CN(C)c1ccc(CNC[C@](O)(c2nccn2C)C(F)(F)F)cc1F ZINC000264933531 550004205 /nfs/dbraw/zinc/00/42/05/550004205.db2.gz BWTBRGDUIOIBFZ-HNNXBMFYSA-N 0 1 360.355 2.165 20 10 FECDMN CCCCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271104259 550340996 /nfs/dbraw/zinc/34/09/96/550340996.db2.gz QUCCQXOFQJPDPD-AWEZNQCLSA-N 0 1 357.472 2.199 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000278153892 550755006 /nfs/dbraw/zinc/75/50/06/550755006.db2.gz CRQDHIGWPNBEKI-UHFFFAOYSA-N 0 1 364.427 2.478 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000278153892 550755008 /nfs/dbraw/zinc/75/50/08/550755008.db2.gz CRQDHIGWPNBEKI-UHFFFAOYSA-N 0 1 364.427 2.478 20 10 FECDMN Cc1ccc([C@H](N)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000280539720 551005529 /nfs/dbraw/zinc/00/55/29/551005529.db2.gz HWSMHEWTPNIORO-FQEVSTJZSA-N 0 1 353.466 2.490 20 10 FECDMN CCN1CCN(c2ccc(CNCc3cn(C(C)C)nn3)cc2F)CC1 ZINC000289161637 552275481 /nfs/dbraw/zinc/27/54/81/552275481.db2.gz AKQRNMMLYPGQAV-UHFFFAOYSA-N 0 1 360.481 2.430 20 10 FECDMN CCCOc1ccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000289338499 552303498 /nfs/dbraw/zinc/30/34/98/552303498.db2.gz HNWRSCMBNOMHKR-INIZCTEOSA-N 0 1 356.488 2.037 20 10 FECDMN CN(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1)S(C)(=O)=O ZINC000294687415 552926774 /nfs/dbraw/zinc/92/67/74/552926774.db2.gz NHCYWPOSSOAOGX-NSHDSACASA-N 0 1 364.870 2.288 20 10 FECDMN CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000296622586 553188939 /nfs/dbraw/zinc/18/89/39/553188939.db2.gz WZNZSDGIQLUBFZ-GXSJLCMTSA-N 0 1 365.293 2.133 20 10 FECDMN COC(=O)C1CCN(C(=O)CN(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000298737603 553466292 /nfs/dbraw/zinc/46/62/92/553466292.db2.gz VTIZRFOKDGFJED-UHFFFAOYSA-N 0 1 373.497 2.129 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000363099051 555029998 /nfs/dbraw/zinc/02/99/98/555029998.db2.gz KGBBKCUIZGPMJX-SFHVURJKSA-N 0 1 369.513 2.324 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000363099051 555030000 /nfs/dbraw/zinc/03/00/00/555030000.db2.gz KGBBKCUIZGPMJX-SFHVURJKSA-N 0 1 369.513 2.324 20 10 FECDMN O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)CC[C@@H]12 ZINC000366481795 555856824 /nfs/dbraw/zinc/85/68/24/555856824.db2.gz LMPZNRNGSPVOHA-MSOLQXFVSA-N 0 1 366.417 2.066 20 10 FECDMN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000368874034 556435709 /nfs/dbraw/zinc/43/57/09/556435709.db2.gz BXXLQFCRXKTPSB-KGLIPLIRSA-N 0 1 355.341 2.038 20 10 FECDMN CCOc1ccc(O)c(CN2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000374353905 557870283 /nfs/dbraw/zinc/87/02/83/557870283.db2.gz WPHQTIJRIHTBDV-GOSISDBHSA-N 0 1 362.470 2.298 20 10 FECDMN CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000378345280 558534857 /nfs/dbraw/zinc/53/48/57/558534857.db2.gz IRASFOGETUAZEF-LLVKDONJSA-N 0 1 353.271 2.213 20 10 FECDMN CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000378345280 558534858 /nfs/dbraw/zinc/53/48/58/558534858.db2.gz IRASFOGETUAZEF-LLVKDONJSA-N 0 1 353.271 2.213 20 10 FECDMN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000809701115 674505953 /nfs/dbraw/zinc/50/59/53/674505953.db2.gz UNIBMZUNBJFPQW-GXTWGEPZSA-N 0 1 355.276 2.450 20 10 FECDMN C[C@]1(C[C@H]2CCC[N@H+]2Cc2c([O-])ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704734 674506252 /nfs/dbraw/zinc/50/62/52/674506252.db2.gz IUUWVINAOZFYLO-JDNHERCYSA-N 0 1 355.797 2.137 20 10 FECDMN O=C([O-])NC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000834215752 605554484 /nfs/dbraw/zinc/55/44/84/605554484.db2.gz NWASLKIXZQNUKV-OAHLLOKOSA-N 0 1 351.422 2.142 20 10 FECDMN O=C([N-]C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)C(F)(F)F ZINC000811515021 674610148 /nfs/dbraw/zinc/61/01/48/674610148.db2.gz LCYXHKADEXYOFH-SNVBAGLBSA-N 0 1 360.332 2.011 20 10 FECDMN CN(Cc1ccccc1S(N)(=O)=O)Cc1c(O)ccc(Cl)c1F ZINC000816626354 675069356 /nfs/dbraw/zinc/06/93/56/675069356.db2.gz GAAOHXITHJWLCT-UHFFFAOYSA-N 0 1 358.822 2.464 20 10 FECDMN CN(Cc1cc(Cl)cc(F)c1O)Cc1ccccc1S(N)(=O)=O ZINC000816626245 675069366 /nfs/dbraw/zinc/06/93/66/675069366.db2.gz AWNLZBOIXZJQCZ-UHFFFAOYSA-N 0 1 358.822 2.464 20 10 FECDMN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])Cc1ccccc1S(N)(=O)=O ZINC000816626245 675069368 /nfs/dbraw/zinc/06/93/68/675069368.db2.gz AWNLZBOIXZJQCZ-UHFFFAOYSA-N 0 1 358.822 2.464 20 10 FECDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])Cc1ccccc1S(N)(=O)=O ZINC000816626245 675069371 /nfs/dbraw/zinc/06/93/71/675069371.db2.gz AWNLZBOIXZJQCZ-UHFFFAOYSA-N 0 1 358.822 2.464 20 10 FECDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000054828541 670342028 /nfs/dbraw/zinc/34/20/28/670342028.db2.gz PUCCYITWOKGJTD-UHFFFAOYSA-N 0 1 358.416 2.388 20 10 FECDMN Cc1nc(CN2CCN(Cc3cccc(Br)c3O)CC2)no1 ZINC000093274182 670751190 /nfs/dbraw/zinc/75/11/90/670751190.db2.gz ZTAKOBWKAYMCEM-UHFFFAOYSA-N 0 1 367.247 2.164 20 10 FECDMN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000134065896 672119080 /nfs/dbraw/zinc/11/90/80/672119080.db2.gz NGHUKCUSPGVLET-DYVFJYSZSA-N 0 1 351.878 2.496 20 10 FECDMN CN(C)c1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1F ZINC000159401432 672281711 /nfs/dbraw/zinc/28/17/11/672281711.db2.gz OKBFARXHAGNVQC-HNNXBMFYSA-N 0 1 357.495 2.186 20 10 FECDMN CCS(=O)(=O)C[C@H](C)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000733329370 673410045 /nfs/dbraw/zinc/41/00/45/673410045.db2.gz RKNMOSXHYSJXQA-AWEZNQCLSA-N 0 1 369.487 2.498 20 10 FECDMN Cc1cc(Br)c([O-])c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000818431383 675219203 /nfs/dbraw/zinc/21/92/03/675219203.db2.gz KIKMLQXTRZQSHN-DZGCQCFKSA-N 0 1 365.275 2.123 20 10 FECDMN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCc2[nH]cnc2C1 ZINC000822552862 675491463 /nfs/dbraw/zinc/49/14/63/675491463.db2.gz BISYNIRTYZDLJI-OAHLLOKOSA-N 0 1 356.495 2.384 20 10 FECDMN CCC[C@H](OC)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000823161573 675533349 /nfs/dbraw/zinc/53/33/49/675533349.db2.gz HFVOLWMBPRHSSY-SFHVURJKSA-N 0 1 351.466 2.399 20 10 FECDMN COCCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824548785 675609853 /nfs/dbraw/zinc/60/98/53/675609853.db2.gz QTGOHKOBGSKETR-UHFFFAOYSA-N 0 1 371.275 2.129 20 10 FECDMN CNC(=O)CCOC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824912871 675628745 /nfs/dbraw/zinc/62/87/45/675628745.db2.gz CAUNVOQKNDWMDV-UHFFFAOYSA-N 0 1 371.275 2.272 20 10 FECDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCCS2(=O)=O)ccc1N1CCCCC1 ZINC000765266297 680837469 /nfs/dbraw/zinc/83/74/69/680837469.db2.gz GDRNBCLSWYOGDG-HNNXBMFYSA-N 0 1 367.471 2.252 20 10 FECDMN Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1[O-] ZINC000749259195 680034587 /nfs/dbraw/zinc/03/45/87/680034587.db2.gz UNGNMVKANXUMQP-CYBMUJFWSA-N 0 1 364.833 2.177 20 10 FECDMN CCN1C[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1=O ZINC000834890751 680280381 /nfs/dbraw/zinc/28/03/81/680280381.db2.gz PHLMVHFKIDRJPU-ZIAGYGMSSA-N 0 1 351.878 2.448 20 10 FECDMN CCS(=O)(=O)NC1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835054509 680291361 /nfs/dbraw/zinc/29/13/61/680291361.db2.gz WFCCOILHGKVOSI-WAYWQWQTSA-N 0 1 351.516 2.170 20 10 FECDMN [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000841954340 680918970 /nfs/dbraw/zinc/91/89/70/680918970.db2.gz WCTOTMMYOCYOEX-ZWNOBZJWSA-N 0 1 356.264 2.471 20 10 FECDMN C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCN1c1nccn2cnnc12 ZINC000770279252 681011560 /nfs/dbraw/zinc/01/15/60/681011560.db2.gz HELKNERRLQLZFM-GFCCVEGCSA-N 0 1 358.833 2.194 20 10 FECDMN COc1ccc(N(C)CCN(C)C(=O)CN(C)[C@H]2CCSC2)cc1 ZINC000844855446 681088255 /nfs/dbraw/zinc/08/82/55/681088255.db2.gz WPXGYTQCLNHBMK-INIZCTEOSA-N 0 1 351.516 2.027 20 10 FECDMN CCN1C[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000845485569 681131754 /nfs/dbraw/zinc/13/17/54/681131754.db2.gz DLUBZYXTECMGRC-SECBINFHSA-N 0 1 360.241 2.367 20 10 FECDMN COCC[N@@H+](CCC(=O)[O-])Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000846270472 681216139 /nfs/dbraw/zinc/21/61/39/681216139.db2.gz XXGVUOUUKQTXKK-UHFFFAOYSA-N 0 1 350.459 2.225 20 10 FECDMN C[C@@H](NCC(=O)N(C)c1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000775259456 681290826 /nfs/dbraw/zinc/29/08/26/681290826.db2.gz UHHLMRXMMRYXAK-CQSZACIVSA-N 0 1 360.483 2.293 20 10 FECDMN CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000775506531 681311917 /nfs/dbraw/zinc/31/19/17/681311917.db2.gz AKIIADXXDPLIIY-SJLPKXTDSA-N 0 1 367.921 2.493 20 10 FECDMN Cc1cc(Br)c([O-])c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000781906379 681987003 /nfs/dbraw/zinc/98/70/03/681987003.db2.gz BWYZTQWEOZZSBP-JKSUJKDBSA-N 0 1 369.303 2.494 20 10 FECDMN O=C(NCC1([NH+]2CCSCC2)CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789957456 682640699 /nfs/dbraw/zinc/64/06/99/682640699.db2.gz OTZQSVHOBWYXFS-UHFFFAOYSA-N 0 1 354.447 2.328 20 10 FECDMN C[C@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1[O-] ZINC000858489703 682972466 /nfs/dbraw/zinc/97/24/66/682972466.db2.gz JZLAXAOWCAHWMF-WCQYABFASA-N 0 1 358.833 2.413 20 10 FECDMN C[C@@H]([NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)cc1[O-] ZINC000858489702 682972566 /nfs/dbraw/zinc/97/25/66/682972566.db2.gz JZLAXAOWCAHWMF-DGCLKSJQSA-N 0 1 358.833 2.413 20 10 FECDMN COC(=O)[C@]12C[N@H+](Cc3c([O-])cccc3Br)C[C@H]1COCC2 ZINC000862352089 683575743 /nfs/dbraw/zinc/57/57/43/683575743.db2.gz YZAUZXIDGXBKPS-MEDUHNTESA-N 0 1 370.243 2.166 20 10 FECDMN COC(=O)[C@]12C[N@@H+](Cc3c([O-])cccc3Br)C[C@H]1COCC2 ZINC000862352089 683575747 /nfs/dbraw/zinc/57/57/47/683575747.db2.gz YZAUZXIDGXBKPS-MEDUHNTESA-N 0 1 370.243 2.166 20 10 FECDMN COc1ccc(N2CCN(C[C@H](O)CCC3(O)CCC3)CC2)cc1F ZINC000929824696 683643751 /nfs/dbraw/zinc/64/37/51/683643751.db2.gz XXOVFRBEYRHPPR-MRXNPFEDSA-N 0 1 352.450 2.012 20 10 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CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000109769697 543338659 /nfs/dbraw/zinc/33/86/59/543338659.db2.gz HYXBNKRTGHHJQO-UHFFFAOYSA-N 0 1 355.438 2.299 20 10 FECDMN O=S(=O)(C1CC1)N1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000802658460 674190744 /nfs/dbraw/zinc/19/07/44/674190744.db2.gz CCGSIWLZATWEAA-UHFFFAOYSA-N 0 1 362.854 2.185 20 10 FECDMN COc1cc(Br)cc(CN(C)[C@H]2CCCCNC2=O)c1O ZINC000123843906 543786112 /nfs/dbraw/zinc/78/61/12/543786112.db2.gz AYLKIQXIGOZUQR-LBPRGKRZSA-N 0 1 357.248 2.264 20 10 FECDMN O=C1NCCN1C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000127648983 544005692 /nfs/dbraw/zinc/00/56/92/544005692.db2.gz WAFXFQNSCDJVAZ-UHFFFAOYSA-N 0 1 354.248 2.144 20 10 FECDMN Cn1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cn1 ZINC000134269240 544300876 /nfs/dbraw/zinc/30/08/76/544300876.db2.gz SPMVFYOQWFYXRA-MRXNPFEDSA-N 0 1 362.861 2.102 20 10 FECDMN O=C(C[C@H]1COC(=O)C1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134269623 544300987 /nfs/dbraw/zinc/30/09/87/544300987.db2.gz AEPZZRWNKALUGG-DOMZBBRYSA-N 0 1 366.845 2.079 20 10 FECDMN C[C@H]1CN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)C[C@H](C)O1 ZINC000805134465 674321874 /nfs/dbraw/zinc/32/18/74/674321874.db2.gz AFARBGBEHADSAK-IUCAKERBSA-N 0 1 369.270 2.143 20 10 FECDMN CN(C)c1ncc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)n1C ZINC000805187595 674325006 /nfs/dbraw/zinc/32/50/06/674325006.db2.gz RIFRNYSXTIWVAP-UHFFFAOYSA-N 0 1 372.256 2.498 20 10 FECDMN COc1cccc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000182297020 547469153 /nfs/dbraw/zinc/46/91/53/547469153.db2.gz FXDHFDSHWQUJAT-INIZCTEOSA-N 0 1 368.499 2.227 20 10 FECDMN Cc1cc(C(=O)N[C@H](C)CN2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000264443541 549996006 /nfs/dbraw/zinc/99/60/06/549996006.db2.gz OMYZTLACPAEXHM-MRXNPFEDSA-N 0 1 354.498 2.460 20 10 FECDMN CN1CCN(C)[C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000266892776 550025325 /nfs/dbraw/zinc/02/53/25/550025325.db2.gz YTXJYOVGCTXQML-IBGZPJMESA-N 0 1 374.529 2.482 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)C[C@](C)(O)C3CC3)cc2F)CC1 ZINC000270079733 550247757 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CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289383456 552312069 /nfs/dbraw/zinc/31/20/69/552312069.db2.gz MRXHUGQENLPCAU-CYBMUJFWSA-N 0 1 367.402 2.410 20 10 FECDMN Cc1ccccc1[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000295920032 553075607 /nfs/dbraw/zinc/07/56/07/553075607.db2.gz BOEQWVHGZPXYEA-IBGZPJMESA-N 0 1 357.429 2.287 20 10 FECDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000296457445 553162900 /nfs/dbraw/zinc/16/29/00/553162900.db2.gz OOPKLNFWFGNJCL-NSHDSACASA-N 0 1 351.786 2.304 20 10 FECDMN COc1cc(O)c(CN2CCCN(C(=O)c3ccccn3)CC2)cc1OC ZINC000362381449 554967877 /nfs/dbraw/zinc/96/78/77/554967877.db2.gz ZLEQHLJEIQCKLX-UHFFFAOYSA-N 0 1 371.437 2.153 20 10 FECDMN CC(C)(O)C[N@H+]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000364122544 555254247 /nfs/dbraw/zinc/25/42/47/555254247.db2.gz TXNCRYNKBAQHCX-UHFFFAOYSA-N 0 1 357.838 2.232 20 10 FECDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000364528317 555330142 /nfs/dbraw/zinc/33/01/42/555330142.db2.gz GSFKQNREUBSIHU-KRWDZBQOSA-N 0 1 366.425 2.129 20 10 FECDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000364528317 555330145 /nfs/dbraw/zinc/33/01/45/555330145.db2.gz GSFKQNREUBSIHU-KRWDZBQOSA-N 0 1 366.425 2.129 20 10 FECDMN Nc1nc(-n2cccn2)cc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000367396938 556037815 /nfs/dbraw/zinc/03/78/15/556037815.db2.gz OSRXQYYRMIWZCQ-UHFFFAOYSA-N 0 1 353.817 2.587 20 10 FECDMN COc1ccc(O)c(CNC(=O)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000369332791 556574404 /nfs/dbraw/zinc/57/44/04/556574404.db2.gz WBCJBOXFAJOLMG-UHFFFAOYSA-N 0 1 370.453 2.260 20 10 FECDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)C(N)=O)C1 ZINC000444032423 560099486 /nfs/dbraw/zinc/09/94/86/560099486.db2.gz KTEKSPNUZJHELS-UHFFFAOYSA-N 0 1 370.497 2.036 20 10 FECDMN CCc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n(C)n1 ZINC000807511893 674418288 /nfs/dbraw/zinc/41/82/88/674418288.db2.gz ZVJCQDZGPSRUSF-UHFFFAOYSA-N 0 1 371.224 2.250 20 10 FECDMN O=C(CNC(=O)c1cccc(O)c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807837477 674431249 /nfs/dbraw/zinc/43/12/49/674431249.db2.gz RLEPVGMKTKFZSO-UHFFFAOYSA-N 0 1 369.204 2.451 20 10 FECDMN O=C(CNC(=O)c1ccccn1)NCc1cc(Cl)cc(Cl)c1O ZINC000807836575 674431279 /nfs/dbraw/zinc/43/12/79/674431279.db2.gz GFEXNXTVJWYPTR-UHFFFAOYSA-N 0 1 354.193 2.140 20 10 FECDMN c1cc(-c2nn[n-]n2)oc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823757271 599408446 /nfs/dbraw/zinc/40/84/46/599408446.db2.gz NSAORGFGCYHFQU-UHFFFAOYSA-N 0 1 356.455 2.303 20 10 FECDMN CCOCC[N@H+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000737177579 600214437 /nfs/dbraw/zinc/21/44/37/600214437.db2.gz QYXACGFCOQUOTL-DYLGSBMWSA-N 0 1 363.414 2.240 20 10 FECDMN C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827281553 604745918 /nfs/dbraw/zinc/74/59/18/604745918.db2.gz PBOFIEPOEWNQFA-RISCZKNCSA-N 0 1 354.834 2.237 20 10 FECDMN O=S(=O)(Nc1ccc(O)cc1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826492766 609524907 /nfs/dbraw/zinc/52/49/07/609524907.db2.gz BZVLSSCXMDOVDI-UHFFFAOYSA-N 0 1 351.775 2.027 20 10 FECDMN COc1cc(Br)cc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000131049937 672083274 /nfs/dbraw/zinc/08/32/74/672083274.db2.gz RJTDKETZMLPVER-AYLIAGHASA-N 0 1 350.278 2.362 20 10 FECDMN CN(C)c1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1F ZINC000159401271 672281517 /nfs/dbraw/zinc/28/15/17/672281517.db2.gz OKBFARXHAGNVQC-OAHLLOKOSA-N 0 1 357.495 2.186 20 10 FECDMN COc1cccc(O)c1CNCc1cccc(S(=O)(=O)NC(C)C)c1 ZINC000731450424 673330935 /nfs/dbraw/zinc/33/09/35/673330935.db2.gz QMWYOZWSOVWKHH-UHFFFAOYSA-N 0 1 364.467 2.377 20 10 FECDMN C[C@@]1(c2ccc(C[NH2+]Cc3c([O-])cccc3Cl)cc2)NC(=O)NC1=O ZINC000733327112 673409977 /nfs/dbraw/zinc/40/99/77/673409977.db2.gz KKKGTEDGXWWOHY-SFHVURJKSA-N 0 1 359.813 2.390 20 10 FECDMN C[NH+](C)Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000746681938 673889828 /nfs/dbraw/zinc/88/98/28/673889828.db2.gz FKEKBMRRZQOYGN-UHFFFAOYSA-N 0 1 363.439 2.078 20 10 FECDMN CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824938088 675630063 /nfs/dbraw/zinc/63/00/63/675630063.db2.gz FPHVLOBLEDVXQD-UHFFFAOYSA-N 0 1 368.861 2.245 20 10 FECDMN COC(=O)CC1([NH2+]Cc2ccc(Br)cc2[O-])CCOCC1 ZINC000825429528 675652717 /nfs/dbraw/zinc/65/27/17/675652717.db2.gz MDRWNKOBTVPLBC-UHFFFAOYSA-N 0 1 358.232 2.357 20 10 FECDMN C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825885457 675672676 /nfs/dbraw/zinc/67/26/76/675672676.db2.gz GRCNAXRJIWDXOR-WFASDCNBSA-N 0 1 355.276 2.450 20 10 FECDMN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825885457 675672677 /nfs/dbraw/zinc/67/26/77/675672677.db2.gz GRCNAXRJIWDXOR-WFASDCNBSA-N 0 1 355.276 2.450 20 10 FECDMN COc1c([O-])c(C[NH2+]Cc2cnc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000826840301 675709594 /nfs/dbraw/zinc/70/95/94/675709594.db2.gz WVXYNCKFGNKLHF-UHFFFAOYSA-N 0 1 358.276 2.408 20 10 FECDMN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)nn1 ZINC000761226269 680715576 /nfs/dbraw/zinc/71/55/76/680715576.db2.gz NPKKMHWQQWDMEW-NSHDSACASA-N 0 1 354.769 2.010 20 10 FECDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000762000278 680736989 /nfs/dbraw/zinc/73/69/89/680736989.db2.gz MRQNEJUGTHPFDX-UHFFFAOYSA-N 0 1 350.396 2.079 20 10 FECDMN CC(C)(C)OC(=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000764866299 680823055 /nfs/dbraw/zinc/82/30/55/680823055.db2.gz CRRODCDMXRZFQQ-CQSZACIVSA-N 0 1 368.861 2.468 20 10 FECDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)CN1CCOCC1 ZINC000840977660 680858489 /nfs/dbraw/zinc/85/84/89/680858489.db2.gz LKAGLEIRAKQYTP-UHFFFAOYSA-N 0 1 357.838 2.496 20 10 FECDMN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000753732056 680311540 /nfs/dbraw/zinc/31/15/40/680311540.db2.gz OJSVREMFOWJCGZ-GDBMZVCRSA-N 0 1 370.490 2.280 20 10 FECDMN O=C(NCC[N@H+]1CCCOCC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000836473139 680474567 /nfs/dbraw/zinc/47/45/67/680474567.db2.gz JMVICIUNAHBHCS-UHFFFAOYSA-N 0 1 362.257 2.221 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)NC(CF)CF)cc2F)CC1 ZINC000836530542 680480656 /nfs/dbraw/zinc/48/06/56/680480656.db2.gz YEJQPHUHIMWGKY-UHFFFAOYSA-N 0 1 358.408 2.074 20 10 FECDMN COc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000759163350 680632444 /nfs/dbraw/zinc/63/24/44/680632444.db2.gz LUGWQTSRAWTDKK-UHFFFAOYSA-N 0 1 352.324 2.133 20 10 FECDMN C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000766439969 680876900 /nfs/dbraw/zinc/87/69/00/680876900.db2.gz ZJEXVIXJYHLGFF-DYVFJYSZSA-N 0 1 351.878 2.448 20 10 FECDMN COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000775204520 681284562 /nfs/dbraw/zinc/28/45/62/681284562.db2.gz ORJWNAWUZBHYKA-OCCSQVGLSA-N 0 1 374.275 2.001 20 10 FECDMN C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(Br)cc1[O-] ZINC000848563991 681579634 /nfs/dbraw/zinc/57/96/34/681579634.db2.gz GJTPIUBOROMIRC-MWLCHTKSSA-N 0 1 351.248 2.491 20 10 FECDMN NC(=O)CCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779812413 681755941 /nfs/dbraw/zinc/75/59/41/681755941.db2.gz LVBFELYTFBNZHY-OAHLLOKOSA-N 0 1 367.877 2.172 20 10 FECDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000781902233 681987038 /nfs/dbraw/zinc/98/70/38/681987038.db2.gz OXSXSQNSTYCRJZ-CYBMUJFWSA-N 0 1 368.275 2.453 20 10 FECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1O ZINC000787676507 682471976 /nfs/dbraw/zinc/47/19/76/682471976.db2.gz OAEFSHKFYROLRU-QGZVFWFLSA-N 0 1 350.434 2.421 20 10 FECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1[O-] ZINC000787676507 682471979 /nfs/dbraw/zinc/47/19/79/682471979.db2.gz OAEFSHKFYROLRU-QGZVFWFLSA-N 0 1 350.434 2.421 20 10 FECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1[O-] ZINC000787676507 682471981 /nfs/dbraw/zinc/47/19/81/682471981.db2.gz OAEFSHKFYROLRU-QGZVFWFLSA-N 0 1 350.434 2.421 20 10 FECDMN CC[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788477 682701872 /nfs/dbraw/zinc/70/18/72/682701872.db2.gz YUJAZIBLUZOXTB-HUUCEWRRSA-N 0 1 368.861 2.325 20 10 FECDMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2SC)cn1C ZINC000792703229 682829398 /nfs/dbraw/zinc/82/93/98/682829398.db2.gz QWKVGOPUXMVEFR-UHFFFAOYSA-N 0 1 370.452 2.430 20 10 FECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c(Cl)c1 ZINC000858244380 682948593 /nfs/dbraw/zinc/94/85/93/682948593.db2.gz WDZQYRKTGXPTHF-LBPRGKRZSA-N 0 1 358.833 2.160 20 10 FECDMN COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862475547 683594468 /nfs/dbraw/zinc/59/44/68/683594468.db2.gz OFUCNTBRWPSOHQ-HNNXBMFYSA-N 0 1 358.232 2.227 20 10 FECDMN CCN(CC)c1ccc(CN2CCC[C@@H](CS(=O)(=O)NC)C2)cc1F ZINC000862550968 683600474 /nfs/dbraw/zinc/60/04/74/683600474.db2.gz IGYCRVFCLKTLQR-MRXNPFEDSA-N 0 1 371.522 2.433 20 10 FECDMN O=c1[nH]c(=O)n(CC(F)(F)F)cc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000922497047 683735912 /nfs/dbraw/zinc/73/59/12/683735912.db2.gz SBODTBAHCNJCSU-UHFFFAOYSA-N 0 1 363.723 2.160 20 10 FECDMN CN1CCN(c2ccc(CNc3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000863984529 683796886 /nfs/dbraw/zinc/79/68/86/683796886.db2.gz HFMCLKWUKQLTBA-UHFFFAOYSA-N 0 1 359.495 2.454 20 10 FECDMN NS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000877761824 686450354 /nfs/dbraw/zinc/45/03/54/686450354.db2.gz QNPNLIMWIVBUNR-UHFFFAOYSA-N 0 1 370.833 2.390 20 10 FECDMN COc1cc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)sn1 ZINC000886324792 688232289 /nfs/dbraw/zinc/23/22/89/688232289.db2.gz HFYDMOOPYTYFDL-UHFFFAOYSA-N 0 1 360.483 2.143 20 10 FECDMN COCCc1noc(CN(C)Cc2cc(Br)cc(F)c2O)n1 ZINC000894041651 689455169 /nfs/dbraw/zinc/45/51/69/689455169.db2.gz FOZHGYVMQQJZBH-UHFFFAOYSA-N 0 1 374.210 2.498 20 10 FECDMN C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(Br)cc(F)c1O ZINC000894565337 689555911 /nfs/dbraw/zinc/55/59/11/689555911.db2.gz DRMYHLAPFYFWQG-SECBINFHSA-N 0 1 366.252 2.303 20 10 FECDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000895229440 689680473 /nfs/dbraw/zinc/68/04/73/689680473.db2.gz VOWIPWOVAXHTPK-JTQLQIEISA-N 0 1 355.211 2.407 20 10 FECDMN COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)CCC1 ZINC000897702800 690067227 /nfs/dbraw/zinc/06/72/27/690067227.db2.gz UNXDJARQQKUPLT-GOSISDBHSA-N 0 1 355.381 2.341 20 10 FECDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(C(C)C)c2)n(C)c1 ZINC000901946573 690718912 /nfs/dbraw/zinc/71/89/12/690718912.db2.gz HSTQIYSIJPPVJQ-UHFFFAOYSA-N 0 1 352.412 2.442 20 10 FECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000079434360 542518779 /nfs/dbraw/zinc/51/87/79/542518779.db2.gz CRPXZJXRONWIPP-HNNXBMFYSA-N 0 1 350.434 2.278 20 10 FECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000079434360 542518781 /nfs/dbraw/zinc/51/87/81/542518781.db2.gz CRPXZJXRONWIPP-HNNXBMFYSA-N 0 1 350.434 2.278 20 10 FECDMN CCC[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000802656322 674190387 /nfs/dbraw/zinc/19/03/87/674190387.db2.gz NRSNULIQZXXDQS-LBPRGKRZSA-N 0 1 355.232 2.124 20 10 FECDMN O=C(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)NCC(F)(F)F ZINC000804973619 674310045 /nfs/dbraw/zinc/31/00/45/674310045.db2.gz XGASXQXVUBTSRP-UHFFFAOYSA-N 0 1 374.146 2.177 20 10 FECDMN O=C1NC[C@@H]2CN(Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000183120982 547605149 /nfs/dbraw/zinc/60/51/49/547605149.db2.gz OLIPKARJWQXEAO-QGZVFWFLSA-N 0 1 353.422 2.181 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)Nc3ccon3)CC2)cc1 ZINC000183588971 547685495 /nfs/dbraw/zinc/68/54/95/547685495.db2.gz KOFPMAQMQCRNGR-UHFFFAOYSA-N 0 1 359.430 2.017 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)CCOCC(F)F)cc2F)CC1 ZINC000191430442 548344980 /nfs/dbraw/zinc/34/49/80/548344980.db2.gz CRNQAZKQGWKFHA-UHFFFAOYSA-N 0 1 373.419 2.256 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000248569054 549459529 /nfs/dbraw/zinc/45/95/29/549459529.db2.gz RBURURBNDRLEOS-UHOSZYNNSA-N 0 1 373.497 2.429 20 10 FECDMN Cc1cccc(N2CCN(CCCNC(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000269280854 550175910 /nfs/dbraw/zinc/17/59/10/550175910.db2.gz FHEOVUJJTWUIOW-UHFFFAOYSA-N 0 1 366.509 2.448 20 10 FECDMN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C)c1cccc(O)c1)cc2=O ZINC000271757865 550400140 /nfs/dbraw/zinc/40/01/40/550400140.db2.gz CAYOLXSSAFZCGX-NSHDSACASA-N 0 1 356.382 2.168 20 10 FECDMN COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000273799074 550511504 /nfs/dbraw/zinc/51/15/04/550511504.db2.gz WUSVKSRQEGMIEQ-QWHCGFSZSA-N 0 1 370.877 2.417 20 10 FECDMN C[C@@H]1C[NH+](CC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)C[C@@H](C)O1 ZINC000276575004 550579044 /nfs/dbraw/zinc/57/90/44/550579044.db2.gz KXRUDTXMSYRIKT-CHWSQXEVSA-N 0 1 366.433 2.198 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278253179 550765781 /nfs/dbraw/zinc/76/57/81/550765781.db2.gz PIWKUYHVSZKVEL-CYBMUJFWSA-N 0 1 365.430 2.293 20 10 FECDMN CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000278269958 550767257 /nfs/dbraw/zinc/76/72/57/550767257.db2.gz RKQRAEMGJKUMGR-ZDUSSCGKSA-N 0 1 372.443 2.098 20 10 FECDMN CCCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000278269958 550767259 /nfs/dbraw/zinc/76/72/59/550767259.db2.gz RKQRAEMGJKUMGR-ZDUSSCGKSA-N 0 1 372.443 2.098 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)CC(C)(C)OC)cc2F)CC1 ZINC000278802712 550823775 /nfs/dbraw/zinc/82/37/75/550823775.db2.gz XWKSCYCQWPRLCI-UHFFFAOYSA-N 0 1 351.466 2.399 20 10 FECDMN O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)N1 ZINC000279402867 550886171 /nfs/dbraw/zinc/88/61/71/550886171.db2.gz LEDRAZPXNAFORD-HXUWFJFHSA-N 0 1 351.406 2.233 20 10 FECDMN COC(=O)c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000286042057 551842034 /nfs/dbraw/zinc/84/20/34/551842034.db2.gz QNYREARWAWUVIX-UHFFFAOYSA-N 0 1 355.438 2.337 20 10 FECDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 ZINC000289262662 552291049 /nfs/dbraw/zinc/29/10/49/552291049.db2.gz FUPORVHAPVNIQN-YLJYHZDGSA-N 0 1 358.486 2.485 20 10 FECDMN CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000294662519 552924849 /nfs/dbraw/zinc/92/48/49/552924849.db2.gz AHFHRXLDLBUNBL-XMMPIXPASA-N 0 1 353.484 2.285 20 10 FECDMN COc1c([O-])c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)ccc1[N+](=O)[O-] ZINC000294697141 552927731 /nfs/dbraw/zinc/92/77/31/552927731.db2.gz CTJSGMFSNUWGIQ-GXTWGEPZSA-N 0 1 371.393 2.090 20 10 FECDMN CN(C)C(=O)C1(NCC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCCC1 ZINC000295187613 552967778 /nfs/dbraw/zinc/96/77/78/552967778.db2.gz SQWHEFFAGWLHJQ-UHFFFAOYSA-N 0 1 374.529 2.092 20 10 FECDMN CC[C@H](C)N1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000297334069 553279522 /nfs/dbraw/zinc/27/95/22/553279522.db2.gz JQFZVCDLGVJUNS-KRWDZBQOSA-N 0 1 360.502 2.149 20 10 FECDMN Cc1cc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c(C)n1-c1ccccc1C ZINC000363395372 555094741 /nfs/dbraw/zinc/09/47/41/555094741.db2.gz JMSPFLPOGGZVIS-KRWDZBQOSA-N 0 1 366.425 2.129 20 10 FECDMN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)nn1 ZINC000365266343 555527135 /nfs/dbraw/zinc/52/71/35/555527135.db2.gz KZWBDOKQPQWNLJ-JTQLQIEISA-N 0 1 368.796 2.400 20 10 FECDMN CN(C)c1ccc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000367086250 556001126 /nfs/dbraw/zinc/00/11/26/556001126.db2.gz KGZVEPUQYKKUDB-UHFFFAOYSA-N 0 1 351.516 2.143 20 10 FECDMN COc1cccc(C[N@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)c1O ZINC000371414402 557178737 /nfs/dbraw/zinc/17/87/37/557178737.db2.gz HKYUROXRVOOGEL-UHFFFAOYSA-N 0 1 364.877 2.496 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420478 558024143 /nfs/dbraw/zinc/02/41/43/558024143.db2.gz VJYBLRFRILCKIL-HBUWYVDXSA-N 0 1 366.414 2.061 20 10 FECDMN CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810263733 674538594 /nfs/dbraw/zinc/53/85/94/674538594.db2.gz RUANWHNSBCRWND-LBPRGKRZSA-N 0 1 354.394 2.343 20 10 FECDMN Cc1ccc(O)c(CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826291516 608854679 /nfs/dbraw/zinc/85/46/79/608854679.db2.gz JQXRMYCAELYTDS-SFHVURJKSA-N 0 1 351.410 2.454 20 10 FECDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093017359 670747793 /nfs/dbraw/zinc/74/77/93/670747793.db2.gz JICTWOUJZCYSAU-ZDUSSCGKSA-N 0 1 369.849 2.498 20 10 FECDMN CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093416930 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356.220 2.359 20 10 FECDMN O=C(C[NH2+]Cc1c([O-])cccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000113329766 670884243 /nfs/dbraw/zinc/88/42/43/670884243.db2.gz HZXNNDYBCQGMQL-UHFFFAOYSA-N 0 1 359.857 2.484 20 10 FECDMN O=S(=O)(Nc1ccc(OCCCO)cc1)c1cccc2nsnc21 ZINC000577130810 671418780 /nfs/dbraw/zinc/41/87/80/671418780.db2.gz WQSIVYSRDWBJJR-UHFFFAOYSA-N 0 1 365.436 2.253 20 10 FECDMN O=C(NCCCCN1CCOCC1)NCCCSc1nccs1 ZINC000152250754 672177973 /nfs/dbraw/zinc/17/79/73/672177973.db2.gz DFQZMLNBQFDFNH-UHFFFAOYSA-N 0 1 358.533 2.037 20 10 FECDMN CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825520005 675657435 /nfs/dbraw/zinc/65/74/35/675657435.db2.gz QZJQNXPCDKTGOJ-HNNXBMFYSA-N 0 1 360.248 2.337 20 10 FECDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000764783749 680821042 /nfs/dbraw/zinc/82/10/42/680821042.db2.gz LYCWJVCIDZXZAN-ZDUSSCGKSA-N 0 1 368.275 2.438 20 10 FECDMN O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000764783749 680821043 /nfs/dbraw/zinc/82/10/43/680821043.db2.gz LYCWJVCIDZXZAN-ZDUSSCGKSA-N 0 1 368.275 2.438 20 10 FECDMN COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(Br)cc2[O-])CC1 ZINC000840821979 680844831 /nfs/dbraw/zinc/84/48/31/680844831.db2.gz IYDIPFZKUVXVDU-JTQLQIEISA-N 0 1 357.248 2.101 20 10 FECDMN C[C@@H](NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cncs1 ZINC000765978287 680862079 /nfs/dbraw/zinc/86/20/79/680862079.db2.gz NZZGOEGVFBYTQH-CYBMUJFWSA-N 0 1 351.497 2.229 20 10 FECDMN [O-]c1c(Br)cc(Br)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841079036 680862310 /nfs/dbraw/zinc/86/23/10/680862310.db2.gz VXUZXDFEBXYZAD-JZYVYDRUSA-N 0 1 362.065 2.225 20 10 FECDMN C[N@H+](CC(=O)NCc1ccco1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768194376 680940199 /nfs/dbraw/zinc/94/01/99/680940199.db2.gz WAMYUHQRCPXYPU-UHFFFAOYSA-N 0 1 353.762 2.295 20 10 FECDMN C[N@@H+](CC(=O)NCc1ccco1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768194376 680940201 /nfs/dbraw/zinc/94/02/01/680940201.db2.gz WAMYUHQRCPXYPU-UHFFFAOYSA-N 0 1 353.762 2.295 20 10 FECDMN COc1c([O-])c(C[NH2+][C@H](C)C(=O)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775007363 681267285 /nfs/dbraw/zinc/26/72/85/681267285.db2.gz LPKQSGFZOYYYGB-NWDGAFQWSA-N 0 1 351.403 2.188 20 10 FECDMN CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775650131 681321639 /nfs/dbraw/zinc/32/16/39/681321639.db2.gz QTFVOVPJIDZRFE-ZDUSSCGKSA-N 0 1 364.870 2.479 20 10 FECDMN COc1cc(Br)cc([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c1O ZINC000848536719 681574144 /nfs/dbraw/zinc/57/41/44/681574144.db2.gz UMDFBHXFKACTCS-RNCFNFMXSA-N 0 1 370.247 2.281 20 10 FECDMN COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cccc(Br)c1O ZINC000779146072 681684622 /nfs/dbraw/zinc/68/46/22/681684622.db2.gz YVYVUPYHXAXNPJ-WCQYABFASA-N 0 1 358.232 2.307 20 10 FECDMN NC(=O)CCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000779812412 681756002 /nfs/dbraw/zinc/75/60/02/681756002.db2.gz LVBFELYTFBNZHY-HNNXBMFYSA-N 0 1 367.877 2.172 20 10 FECDMN CC(C)(C)S(=O)(=O)CC[NH2+]Cc1c([O-])cccc1Br ZINC000858136562 682937505 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ZINC000862326463 683569075 /nfs/dbraw/zinc/56/90/75/683569075.db2.gz OIXVXVJBBKJLBU-LLVKDONJSA-N 0 1 354.248 2.191 20 10 FECDMN COC(=O)[C@H]1CSCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862394937 683583711 /nfs/dbraw/zinc/58/37/11/683583711.db2.gz TZQURXGQVPWHEC-SNVBAGLBSA-N 0 1 360.273 2.493 20 10 FECDMN COC(=O)[C@H]1CSCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862394937 683583719 /nfs/dbraw/zinc/58/37/19/683583719.db2.gz TZQURXGQVPWHEC-SNVBAGLBSA-N 0 1 360.273 2.493 20 10 FECDMN O=C(CCc1cn[nH]c1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000863897789 683785348 /nfs/dbraw/zinc/78/53/48/683785348.db2.gz VZKYYZDRCMCRIP-MRXNPFEDSA-N 0 1 362.861 2.482 20 10 FECDMN C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Br)ccc1[O-] ZINC000866519451 684114751 /nfs/dbraw/zinc/11/47/51/684114751.db2.gz BGMXVKPVERHKNR-MEBBXXQBSA-N 0 1 371.231 2.027 20 10 FECDMN CC(C)(C(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911369053 685204347 /nfs/dbraw/zinc/20/43/47/685204347.db2.gz LUPSLMXYDJUPJH-ZDUSSCGKSA-N 0 1 354.834 2.237 20 10 FECDMN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(Cl)nn3)cc2)C1 ZINC000877146296 686332084 /nfs/dbraw/zinc/33/20/84/686332084.db2.gz RGFBDMKLUMSGNU-CQSZACIVSA-N 0 1 359.861 2.122 20 10 FECDMN Cc1cccc(O)c1CNc1cccc(S(=O)(=O)NCCN(C)C)c1 ZINC000877512996 686397242 /nfs/dbraw/zinc/39/72/42/686397242.db2.gz IGNYUOMYFJAHOE-UHFFFAOYSA-N 0 1 363.483 2.153 20 10 FECDMN CN1CCN(c2ccc(CNC(=O)c3snnc3C3CC3)cc2)CC1 ZINC000881853108 687234408 /nfs/dbraw/zinc/23/44/08/687234408.db2.gz JJRNPWNORDMWEZ-UHFFFAOYSA-N 0 1 357.483 2.097 20 10 FECDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)[C@H]1C[C@@H]2CC[C@H]1O2 ZINC000882197764 687322289 /nfs/dbraw/zinc/32/22/89/687322289.db2.gz MPQYYDYEZRHYNN-WCQGTBRESA-N 0 1 352.239 2.438 20 10 FECDMN C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1[O-])CN1CCN(C)CC1 ZINC000882979831 687539770 /nfs/dbraw/zinc/53/97/70/687539770.db2.gz OKGJUQRGAMIZLP-LBPRGKRZSA-N 0 1 374.298 2.267 20 10 FECDMN C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882988369 687541293 /nfs/dbraw/zinc/54/12/93/687541293.db2.gz MPGNXJCPYHBCFT-NSHDSACASA-N 0 1 360.271 2.019 20 10 FECDMN CC(C)c1nnc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883146705 687576974 /nfs/dbraw/zinc/57/69/74/687576974.db2.gz VYLSAOIKPKZIID-UHFFFAOYSA-N 0 1 359.499 2.343 20 10 FECDMN CC[C@H]([NH2+]Cc1nnc2n1CCNC2=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000883305105 687604856 /nfs/dbraw/zinc/60/48/56/687604856.db2.gz OWMNOWQKDJMRMU-NSHDSACASA-N 0 1 370.240 2.275 20 10 FECDMN CSCC[C@H](C)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883432561 687628402 /nfs/dbraw/zinc/62/84/02/687628402.db2.gz UYDMARWLNAFJIZ-HNNXBMFYSA-N 0 1 350.532 2.379 20 10 FECDMN CC[C@H](CSC)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883591500 687676063 /nfs/dbraw/zinc/67/60/63/687676063.db2.gz FQXPDGLXDCFXOI-MRXNPFEDSA-N 0 1 350.532 2.379 20 10 FECDMN CCCCN(Cc1ccc(OC)c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000891477831 689066447 /nfs/dbraw/zinc/06/64/47/689066447.db2.gz PAEZKFATTUCDBC-AWEZNQCLSA-N 0 1 357.472 2.199 20 10 FECDMN COc1ccc(CN2CCCN(c3nc(C)ns3)CC2)c(O)c1OC ZINC000892126642 689154077 /nfs/dbraw/zinc/15/40/77/689154077.db2.gz HBKLIZFCTFTTKB-UHFFFAOYSA-N 0 1 364.471 2.282 20 10 FECDMN COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1 ZINC000894002470 689447036 /nfs/dbraw/zinc/44/70/36/689447036.db2.gz PPGOZRCPZOEWKE-LLVKDONJSA-N 0 1 364.623 2.182 20 10 FECDMN C[C@H]1CN(Cc2cc(F)cc(F)c2O)CCN1C(=O)c1cscn1 ZINC000894966898 689631455 /nfs/dbraw/zinc/63/14/55/689631455.db2.gz MLOGBRIZTSCHTI-JTQLQIEISA-N 0 1 353.394 2.473 20 10 FECDMN COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895392876 689709058 /nfs/dbraw/zinc/70/90/58/689709058.db2.gz UKLQTFCOHZKBQS-AWEZNQCLSA-N 0 1 362.195 2.058 20 10 FECDMN O=C1OCC[C@@H]1NCc1cc(Br)cc(Br)c1O ZINC000895802222 689773482 /nfs/dbraw/zinc/77/34/82/689773482.db2.gz PIWAFNCSUITADK-VIFPVBQESA-N 0 1 365.021 2.322 20 10 FECDMN O=C(NCc1cccc(Cl)c1[O-])NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895850727 689781204 /nfs/dbraw/zinc/78/12/04/689781204.db2.gz FAWJZPZRQKGYAS-CQSZACIVSA-N 0 1 353.850 2.098 20 10 FECDMN C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(Br)cc1[O-] ZINC000903432769 690893269 /nfs/dbraw/zinc/89/32/69/690893269.db2.gz RDXWCDDRNVRRDI-SNVBAGLBSA-N 0 1 368.231 2.158 20 10 FECDMN C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093420499 542931128 /nfs/dbraw/zinc/93/11/28/542931128.db2.gz GBYBDVBLHSFPSU-IUCAKERBSA-N 0 1 350.824 2.207 20 10 FECDMN C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093420499 542931131 /nfs/dbraw/zinc/93/11/31/542931131.db2.gz GBYBDVBLHSFPSU-IUCAKERBSA-N 0 1 350.824 2.207 20 10 FECDMN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)Cc1ccccc1O ZINC000111235255 543388291 /nfs/dbraw/zinc/38/82/91/543388291.db2.gz PBZQMDZZIPGZFQ-ZBFHGGJFSA-N 0 1 356.422 2.169 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)N(C)CC3CC3)CC2)cc1 ZINC000120810046 543685335 /nfs/dbraw/zinc/68/53/35/543685335.db2.gz ASJCIAWSQITXHM-UHFFFAOYSA-N 0 1 360.502 2.259 20 10 FECDMN O=S(=O)(NCc1cc(Cl)cc(Cl)c1O)c1cnc2n1CCC2 ZINC000805135309 674321834 /nfs/dbraw/zinc/32/18/34/674321834.db2.gz IWOZEWYNQYWPMS-UHFFFAOYSA-N 0 1 362.238 2.320 20 10 FECDMN COC(=O)CCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134813 674321956 /nfs/dbraw/zinc/32/19/56/674321956.db2.gz KILPYCMDFUCUHB-UHFFFAOYSA-N 0 1 356.227 2.072 20 10 FECDMN C[C@@H]1COCCN1CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805187352 674324901 /nfs/dbraw/zinc/32/49/01/674324901.db2.gz JRGFPCXYXCCUCH-SNVBAGLBSA-N 0 1 362.257 2.219 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)C3=C(C)OCCC3)CC2)cc1 ZINC000160402695 546037352 /nfs/dbraw/zinc/03/73/52/546037352.db2.gz LNWJWFVRNXNTGJ-UHFFFAOYSA-N 0 1 373.497 2.408 20 10 FECDMN COc1cccc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000182297048 547469377 /nfs/dbraw/zinc/46/93/77/547469377.db2.gz FXDHFDSHWQUJAT-MRXNPFEDSA-N 0 1 368.499 2.227 20 10 FECDMN CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(=O)N1CCOCC1 ZINC000185665521 548017237 /nfs/dbraw/zinc/01/72/37/548017237.db2.gz FFUFVJCIFRRVAR-BXUZGUMPSA-N 0 1 371.275 2.443 20 10 FECDMN CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185971104 548067733 /nfs/dbraw/zinc/06/77/33/548067733.db2.gz VQQVFOSDADZYGK-JTQLQIEISA-N 0 1 365.293 2.133 20 10 FECDMN C[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCN(c2ccccc2)CC1 ZINC000262199719 549798004 /nfs/dbraw/zinc/79/80/04/549798004.db2.gz UWIWWEQYBBOXLU-KRWDZBQOSA-N 0 1 352.482 2.138 20 10 FECDMN O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268963245 550138067 /nfs/dbraw/zinc/13/80/67/550138067.db2.gz KDZWSIKHDMOPBX-AHKGRUIUSA-N 0 1 352.438 2.453 20 10 FECDMN CN(C)c1ccc(CN(CC(=O)N2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000269484485 550200601 /nfs/dbraw/zinc/20/06/01/550200601.db2.gz LARBLJDOFJZLCP-UHFFFAOYSA-N 0 1 373.497 2.083 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](CCO)c2ccccc2)cc1 ZINC000271724548 550398015 /nfs/dbraw/zinc/39/80/15/550398015.db2.gz XJJXGGVRJAMLBD-FQEVSTJZSA-N 0 1 355.482 2.424 20 10 FECDMN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277403453 550666135 /nfs/dbraw/zinc/66/61/35/550666135.db2.gz JZRMWFXIQDCPGP-IINYFYTJSA-N 0 1 368.275 2.437 20 10 FECDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277403453 550666136 /nfs/dbraw/zinc/66/61/36/550666136.db2.gz JZRMWFXIQDCPGP-IINYFYTJSA-N 0 1 368.275 2.437 20 10 FECDMN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277403466 550666385 /nfs/dbraw/zinc/66/63/85/550666385.db2.gz JZRMWFXIQDCPGP-YGRLFVJLSA-N 0 1 368.275 2.437 20 10 FECDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277403466 550666386 /nfs/dbraw/zinc/66/63/86/550666386.db2.gz JZRMWFXIQDCPGP-YGRLFVJLSA-N 0 1 368.275 2.437 20 10 FECDMN C[C@H](O)c1ncc(CNCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000289053580 552258992 /nfs/dbraw/zinc/25/89/92/552258992.db2.gz BLZHLOAWSBFRPY-LBPRGKRZSA-N 0 1 351.447 2.462 20 10 FECDMN CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000294751279 552931473 /nfs/dbraw/zinc/93/14/73/552931473.db2.gz IFLSLPSRUCOYOK-HSZRJFAPSA-N 0 1 359.875 2.322 20 10 FECDMN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@]3(C)[C@@H](C1)C3(F)F)cc2=O ZINC000298234622 553401584 /nfs/dbraw/zinc/40/15/84/553401584.db2.gz HZXNJGZTRZSWOC-WBMJQRKESA-N 0 1 366.368 2.089 20 10 FECDMN O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]12 ZINC000366481801 555856637 /nfs/dbraw/zinc/85/66/37/555856637.db2.gz LMPZNRNGSPVOHA-ROUUACIJSA-N 0 1 366.417 2.066 20 10 FECDMN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1 ZINC000367541328 556078365 /nfs/dbraw/zinc/07/83/65/556078365.db2.gz GGZSNRZLMUMQLS-GWCFXTLKSA-N 0 1 353.806 2.444 20 10 FECDMN COc1ccc(O)c([C@@H](C)N2CCN(C3(C(N)=O)CCCCC3)CC2)c1 ZINC000372512627 557489590 /nfs/dbraw/zinc/48/95/90/557489590.db2.gz IUTUEWBPBVVGBB-OAHLLOKOSA-N 0 1 361.486 2.268 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000373210226 557650628 /nfs/dbraw/zinc/65/06/28/557650628.db2.gz OCWWTLZYJHEINR-CQSZACIVSA-N 0 1 363.414 2.286 20 10 FECDMN O=C(CC1OCCCO1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000373539318 557713703 /nfs/dbraw/zinc/71/37/03/557713703.db2.gz QZYHEKQZHAPQFK-OAHLLOKOSA-N 0 1 368.861 2.279 20 10 FECDMN COc1cccc(CN2CCc3ccc(S(C)(=O)=O)cc3CC2)c1O ZINC000375031288 557967021 /nfs/dbraw/zinc/96/70/21/557967021.db2.gz OTDPKLYJRLQUDE-UHFFFAOYSA-N 0 1 361.463 2.405 20 10 FECDMN COCCn1cc2c(n1)[C@@H](NCc1cc(OC)c(OC)cc1O)CCC2 ZINC000376614328 558198003 /nfs/dbraw/zinc/19/80/03/558198003.db2.gz GGHMOYIGVAORLW-HNNXBMFYSA-N 0 1 361.442 2.420 20 10 FECDMN COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000376690230 558209307 /nfs/dbraw/zinc/20/93/07/558209307.db2.gz PKDWXBJDAWQKEM-HNNXBMFYSA-N 0 1 372.469 2.180 20 10 FECDMN COCCCOCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378446845 558559381 /nfs/dbraw/zinc/55/93/81/558559381.db2.gz DBOZORMGVSMHEK-INIZCTEOSA-N 0 1 370.877 2.179 20 10 FECDMN COc1ccc(-c2n[nH]c(CNC(=O)C=Cc3ccc(O)c(O)c3)n2)cc1 ZINC000378553526 558581525 /nfs/dbraw/zinc/58/15/25/558581525.db2.gz PEBMHSNATNMBOB-YCRREMRBSA-N 0 1 366.377 2.221 20 10 FECDMN COc1ccc(-c2nc(CNC(=O)C=Cc3ccc(O)c(O)c3)n[nH]2)cc1 ZINC000378553526 558581526 /nfs/dbraw/zinc/58/15/26/558581526.db2.gz PEBMHSNATNMBOB-YCRREMRBSA-N 0 1 366.377 2.221 20 10 FECDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669585 562380766 /nfs/dbraw/zinc/38/07/66/562380766.db2.gz ZFIVLPXECGUEHA-IYBDPMFKSA-N 0 1 358.276 2.276 20 10 FECDMN CC(C)NC(=O)CNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806598556 674382845 /nfs/dbraw/zinc/38/28/45/674382845.db2.gz JMQTUWHHRVYSGN-UHFFFAOYSA-N 0 1 350.271 2.188 20 10 FECDMN CCCN(CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736469699 598524333 /nfs/dbraw/zinc/52/43/33/598524333.db2.gz KXBCEGMVAVUKJJ-UHFFFAOYSA-N 0 1 372.454 2.485 20 10 FECDMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825871334 603854005 /nfs/dbraw/zinc/85/40/05/603854005.db2.gz DOWCEWWEEIHILV-JKIFEVAISA-N 0 1 362.474 2.050 20 10 FECDMN COc1ncnc(OC)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683955 674769054 /nfs/dbraw/zinc/76/90/54/674769054.db2.gz IDQXFBQTGFINHG-UHFFFAOYSA-N 0 1 358.181 2.436 20 10 FECDMN CCC[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1nn[nH]n1 ZINC000817956996 675188064 /nfs/dbraw/zinc/18/80/64/675188064.db2.gz HBGPXSCYTITBPV-LBPRGKRZSA-N 0 1 357.443 2.100 20 10 FECDMN CC(C)(C[NH2+]Cc1cc(Br)ccc1[O-])CS(C)(=O)=O ZINC000723851509 673087130 /nfs/dbraw/zinc/08/71/30/673087130.db2.gz ZOFYKHWZAYWSEU-UHFFFAOYSA-N 0 1 350.278 2.315 20 10 FECDMN CN1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742803985 673738382 /nfs/dbraw/zinc/73/83/82/673738382.db2.gz RUMLQPSLGYXNSJ-CZUORRHYSA-N 0 1 353.413 2.467 20 10 FECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886459 675672663 /nfs/dbraw/zinc/67/26/63/675672663.db2.gz PFBRHHLVZMJVCD-SJCJKPOMSA-N 0 1 351.834 2.307 20 10 FECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886459 675672665 /nfs/dbraw/zinc/67/26/65/675672665.db2.gz PFBRHHLVZMJVCD-SJCJKPOMSA-N 0 1 351.834 2.307 20 10 FECDMN Cc1cc(Br)cc(CN2CC[C@H](N3CCOC3=O)C2)c1O ZINC000827001058 675722304 /nfs/dbraw/zinc/72/23/04/675722304.db2.gz RVVAYEBFSLAAEJ-ZDUSSCGKSA-N 0 1 355.232 2.490 20 10 FECDMN CC1=NO[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544629 677046283 /nfs/dbraw/zinc/04/62/83/677046283.db2.gz SBIQNIJSXCYLJS-ZBFHGGJFSA-N 0 1 351.834 2.291 20 10 FECDMN COc1ccsc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765243971 680837011 /nfs/dbraw/zinc/83/70/11/680837011.db2.gz LHFJIYSVRNZGBC-UHFFFAOYSA-N 0 1 366.508 2.281 20 10 FECDMN Cc1cc([O-])c(C[NH2+]CCNS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000840886107 680849195 /nfs/dbraw/zinc/84/91/95/680849195.db2.gz OALIQTGLFLXETK-UHFFFAOYSA-N 0 1 354.859 2.422 20 10 FECDMN Cc1cc(N(C)C)ccc1CN1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000840943195 680855263 /nfs/dbraw/zinc/85/52/63/680855263.db2.gz LNKUTLYUPJIUOW-UHFFFAOYSA-N 0 1 351.516 2.061 20 10 FECDMN Cc1cc([O-])c(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c(Cl)c1 ZINC000840941801 680855301 /nfs/dbraw/zinc/85/53/01/680855301.db2.gz MKTPRFQFKUYQNE-UHFFFAOYSA-N 0 1 369.870 2.410 20 10 FECDMN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000753732058 680311662 /nfs/dbraw/zinc/31/16/62/680311662.db2.gz OJSVREMFOWJCGZ-HOCLYGCPSA-N 0 1 370.490 2.280 20 10 FECDMN O=C(CN1CCCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000874279805 685341709 /nfs/dbraw/zinc/34/17/09/685341709.db2.gz VFRSXDDNLIWPEF-UHFFFAOYSA-N 0 1 353.413 2.469 20 10 FECDMN CC[C@H]1CN(C)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651639 680630098 /nfs/dbraw/zinc/63/00/98/680630098.db2.gz OCFWVNDKRBAZGE-KRWDZBQOSA-N 0 1 362.543 2.475 20 10 FECDMN [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000841954333 680918975 /nfs/dbraw/zinc/91/89/75/680918975.db2.gz WCTOTMMYOCYOEX-GWCFXTLKSA-N 0 1 356.264 2.471 20 10 FECDMN Cc1cc(Br)c(O)c(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000843037811 680984179 /nfs/dbraw/zinc/98/41/79/680984179.db2.gz BLBIYPSNZQMNNM-LBPRGKRZSA-N 0 1 354.204 2.112 20 10 FECDMN CCS(=O)(=O)C[C@@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000775380854 681302671 /nfs/dbraw/zinc/30/26/71/681302671.db2.gz YMPCFMJSWQOAOA-KFWWJZLASA-N 0 1 372.506 2.352 20 10 FECDMN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cccc(Br)c1O ZINC000779146066 681684924 /nfs/dbraw/zinc/68/49/24/681684924.db2.gz YVYVUPYHXAXNPJ-AAEUAGOBSA-N 0 1 358.232 2.307 20 10 FECDMN CCn1ncc(C)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000850455114 681903994 /nfs/dbraw/zinc/90/39/94/681903994.db2.gz VTZFBVXACIFHQG-UHFFFAOYSA-N 0 1 371.224 2.479 20 10 FECDMN Cc1cc(Br)c([O-])c(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000781906923 681988014 /nfs/dbraw/zinc/98/80/14/681988014.db2.gz ABMKBQTZJDXXGK-LLVKDONJSA-N 0 1 362.289 2.330 20 10 FECDMN Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1S(=O)(=O)N(C)C ZINC000789940480 682639963 /nfs/dbraw/zinc/63/99/63/682639963.db2.gz AWYQILCQFCICKG-UHFFFAOYSA-N 0 1 368.386 2.048 20 10 FECDMN O=C1[C@@H](NCc2c(O)cccc2Br)CCN1CC(F)(F)F ZINC000858134261 682937103 /nfs/dbraw/zinc/93/71/03/682937103.db2.gz NJBSLUYYQIPZSJ-JTQLQIEISA-N 0 1 367.165 2.408 20 10 FECDMN O=C1[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCN1CC(F)(F)F ZINC000858134261 682937107 /nfs/dbraw/zinc/93/71/07/682937107.db2.gz NJBSLUYYQIPZSJ-JTQLQIEISA-N 0 1 367.165 2.408 20 10 FECDMN CN(C[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1)S(C)(=O)=O ZINC000795651365 683077511 /nfs/dbraw/zinc/07/75/11/683077511.db2.gz RRHXMFJVULRYNV-CQSZACIVSA-N 0 1 363.483 2.044 20 10 FECDMN CN(C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1)S(C)(=O)=O ZINC000795651365 683077515 /nfs/dbraw/zinc/07/75/15/683077515.db2.gz RRHXMFJVULRYNV-CQSZACIVSA-N 0 1 363.483 2.044 20 10 FECDMN C[N@@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cccc3nsnc32)C1 ZINC000799122453 683424341 /nfs/dbraw/zinc/42/43/41/683424341.db2.gz MUCOYWFXPYXSPN-UHFFFAOYSA-N 0 1 360.464 2.480 20 10 FECDMN C[N@H+]1CCc2c(cccc2[N-]S(=O)(=O)c2cccc3nsnc32)C1 ZINC000799122453 683424345 /nfs/dbraw/zinc/42/43/45/683424345.db2.gz MUCOYWFXPYXSPN-UHFFFAOYSA-N 0 1 360.464 2.480 20 10 FECDMN CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000866765549 684147866 /nfs/dbraw/zinc/14/78/66/684147866.db2.gz YSKRBJWMQRNILB-CVEARBPZSA-N 0 1 367.877 2.041 20 10 FECDMN CC(=O)c1cc(F)cc(CN2CCC([C@@]3(C)COC(=O)N3)CC2)c1O ZINC000932092912 684406159 /nfs/dbraw/zinc/40/61/59/684406159.db2.gz HGTDFJUYDZYVKT-GOSISDBHSA-N 0 1 350.390 2.444 20 10 FECDMN CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911369502 685204471 /nfs/dbraw/zinc/20/44/71/685204471.db2.gz TVXYTVYGIVZYTQ-KBPBESRZSA-N 0 1 354.834 2.237 20 10 FECDMN CN1CCN(c2ccc(CNC(=O)C3SCCCS3)cc2)CC1 ZINC000881853312 687234793 /nfs/dbraw/zinc/23/47/93/687234793.db2.gz QVCMJFZMSSJKNK-UHFFFAOYSA-N 0 1 351.541 2.251 20 10 FECDMN C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000883369963 687616176 /nfs/dbraw/zinc/61/61/76/687616176.db2.gz DEWOEGCJJFLHKY-NVXWUHKLSA-N 0 1 367.921 2.493 20 10 FECDMN C[C@@H]1CCSCCN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889664931 688804288 /nfs/dbraw/zinc/80/42/88/688804288.db2.gz ARKWMSHMYQCTMN-MRXNPFEDSA-N 0 1 362.543 2.475 20 10 FECDMN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(F)cc(F)c2O)cn1 ZINC000894556100 689554476 /nfs/dbraw/zinc/55/44/76/689554476.db2.gz UHEDTZPKMSKIFI-MYYSRTQBSA-N 0 1 355.410 2.192 20 10 FECDMN C[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CC[S@@](=O)C1 ZINC000894567615 689556347 /nfs/dbraw/zinc/55/63/47/689556347.db2.gz WSVZYWOVKVPVEK-AYLIAGHASA-N 0 1 350.253 2.494 20 10 FECDMN CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895375497 689705455 /nfs/dbraw/zinc/70/54/55/689705455.db2.gz SNBVZGCCDYYOOF-QGZVFWFLSA-N 0 1 353.369 2.185 20 10 FECDMN C[C@]1(CO)C[N@H+](Cc2cc(Br)cc(F)c2[O-])C[C@@]1(C)CO ZINC000895402007 689709863 /nfs/dbraw/zinc/70/98/63/689709863.db2.gz HUAPWVCNCRJPSY-GASCZTMLSA-N 0 1 362.239 2.107 20 10 FECDMN COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)CCC1 ZINC000897702130 690066628 /nfs/dbraw/zinc/06/66/28/690066628.db2.gz JCCUYAOBQDRRPU-SFHVURJKSA-N 0 1 355.381 2.341 20 10 FECDMN O=c1cc(N2CC[C@H]([NH2+]Cc3c([O-])cccc3Br)C2)nc[nH]1 ZINC000898150030 690134532 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CC(C)(C[NH2+]Cc1c([O-])cccc1Br)CS(C)(=O)=O ZINC000723875351 673087150 /nfs/dbraw/zinc/08/71/50/673087150.db2.gz XKRADHYZQTXMNQ-UHFFFAOYSA-N 0 1 350.278 2.315 20 10 FECDMN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCc2n[nH]nc21 ZINC000822554313 675491522 /nfs/dbraw/zinc/49/15/22/675491522.db2.gz VWBJYOXEAUIHHI-OAHLLOKOSA-N 0 1 357.483 2.094 20 10 FECDMN Cc1cc(Br)c([O-])c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000824501564 675607030 /nfs/dbraw/zinc/60/70/30/675607030.db2.gz OPYDHNNNNSKRQI-CABCVRRESA-N 0 1 355.276 2.368 20 10 FECDMN O=S(=O)(CCNCc1ccc(N2CCCCC2)cc1)C1CCOCC1 ZINC000824897202 675627650 /nfs/dbraw/zinc/62/76/50/675627650.db2.gz QQOBHPIPLYSVDY-UHFFFAOYSA-N 0 1 366.527 2.360 20 10 FECDMN CCCNC(=O)CN1CCC([NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825107828 675637253 /nfs/dbraw/zinc/63/72/53/675637253.db2.gz NBJCOKZLNHKXDU-UHFFFAOYSA-N 0 1 353.894 2.434 20 10 FECDMN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000753732059 680311562 /nfs/dbraw/zinc/31/15/62/680311562.db2.gz OJSVREMFOWJCGZ-ZBFHGGJFSA-N 0 1 370.490 2.280 20 10 FECDMN CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769534019 680986209 /nfs/dbraw/zinc/98/62/09/680986209.db2.gz QLKSKLUJGCSUQR-LLVKDONJSA-N 0 1 353.271 2.213 20 10 FECDMN CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769534019 680986210 /nfs/dbraw/zinc/98/62/10/680986210.db2.gz QLKSKLUJGCSUQR-LLVKDONJSA-N 0 1 353.271 2.213 20 10 FECDMN CN1CCN(c2cccc(C(=O)NCc3cc(Cl)ccc3O)n2)CC1 ZINC000846472858 681246396 /nfs/dbraw/zinc/24/63/96/681246396.db2.gz GGHOBXFCAOSAGG-UHFFFAOYSA-N 0 1 360.845 2.122 20 10 FECDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cn1 ZINC000775291144 681293463 /nfs/dbraw/zinc/29/34/63/681293463.db2.gz BFZBROGQPUVRFK-UHFFFAOYSA-N 0 1 350.396 2.300 20 10 FECDMN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000776013896 681356208 /nfs/dbraw/zinc/35/62/08/681356208.db2.gz OQSRNVQJUUWKQI-OLZOCXBDSA-N 0 1 372.805 2.496 20 10 FECDMN O=C(NCCCSc1nccs1)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000847336367 681365004 /nfs/dbraw/zinc/36/50/04/681365004.db2.gz PWTWFJZMDILRNO-SNVBAGLBSA-N 0 1 368.488 2.094 20 10 FECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847463964 681382555 /nfs/dbraw/zinc/38/25/55/681382555.db2.gz FLTHOGHKQOPVHQ-LLVKDONJSA-N 0 1 374.224 2.481 20 10 FECDMN Cn1nnc2c1CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C2 ZINC000848669636 681596583 /nfs/dbraw/zinc/59/65/83/681596583.db2.gz HGLQBHKCYYLWEF-JTQLQIEISA-N 0 1 370.240 2.184 20 10 FECDMN COCc1nc(CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)n[nH]1 ZINC000850514953 681911037 /nfs/dbraw/zinc/91/10/37/681911037.db2.gz SNHWXFSVUWPYSN-GFCCVEGCSA-N 0 1 365.865 2.292 20 10 FECDMN Cc1nc(F)ccc1CNCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000785467010 682299479 /nfs/dbraw/zinc/29/94/79/682299479.db2.gz TVPJKEOEJZWGOO-UHFFFAOYSA-N 0 1 363.458 2.054 20 10 FECDMN C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)c1cc(Cl)ccc1[O-] ZINC000858488961 682972406 /nfs/dbraw/zinc/97/24/06/682972406.db2.gz OTYBOTBVWQEAAS-YPMHNXCESA-N 0 1 358.833 2.413 20 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ATOKKYUDAQNAJB-UHFFFAOYSA-N 0 1 363.723 2.160 20 10 FECDMN C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Br)ccc1[O-] ZINC000866519452 684114686 /nfs/dbraw/zinc/11/46/86/684114686.db2.gz BGMXVKPVERHKNR-ZUZCIYMTSA-N 0 1 371.231 2.027 20 10 FECDMN C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Br)ccc1[O-] ZINC000866519449 684114795 /nfs/dbraw/zinc/11/47/95/684114795.db2.gz BGMXVKPVERHKNR-BMIGLBTASA-N 0 1 371.231 2.027 20 10 FECDMN C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(Br)cc1[O-] ZINC000866521068 684115069 /nfs/dbraw/zinc/11/50/69/684115069.db2.gz KQVMLQSPOXOTEL-BONVTDFDSA-N 0 1 371.231 2.027 20 10 FECDMN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCN3CCSC[C@H]23)c1 ZINC000925153693 684530810 /nfs/dbraw/zinc/53/08/10/684530810.db2.gz ZRRPFMVBDCTOHX-VBNZEHGJSA-N 0 1 365.499 2.341 20 10 FECDMN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000925153689 684530818 /nfs/dbraw/zinc/53/08/18/684530818.db2.gz ZRRPFMVBDCTOHX-MAZHCROVSA-N 0 1 365.499 2.341 20 10 FECDMN CCOc1cc(O)ccc1NS(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000872366248 684940955 /nfs/dbraw/zinc/94/09/55/684940955.db2.gz ATRRKYUIECVWQZ-INIZCTEOSA-N 0 1 359.444 2.117 20 10 FECDMN CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H]1CN2CCC1CC2 ZINC000877145109 686332224 /nfs/dbraw/zinc/33/22/24/686332224.db2.gz DDKIUMJCCXUHIL-QGZVFWFLSA-N 0 1 356.495 2.482 20 10 FECDMN CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000883526919 687659272 /nfs/dbraw/zinc/65/92/72/687659272.db2.gz DTBZPLZWPIVPGQ-OAHLLOKOSA-N 0 1 352.429 2.425 20 10 FECDMN CC[C@@H](CSC)NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883591499 687675934 /nfs/dbraw/zinc/67/59/34/687675934.db2.gz FQXPDGLXDCFXOI-INIZCTEOSA-N 0 1 350.532 2.379 20 10 FECDMN C[C@H]1CSCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000889665249 688804245 /nfs/dbraw/zinc/80/42/45/688804245.db2.gz JUYRDBJBPFTECQ-MRXNPFEDSA-N 0 1 362.543 2.333 20 10 FECDMN C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762806 688962907 /nfs/dbraw/zinc/96/29/07/688962907.db2.gz JHLDGPRRZHVUKV-ZDUSSCGKSA-N 0 1 371.865 2.117 20 10 FECDMN COc1ccc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113084 689152163 /nfs/dbraw/zinc/15/21/63/689152163.db2.gz VSMYQKITFHZZBG-HIFRSBDPSA-N 0 1 357.472 2.197 20 10 FECDMN Oc1c(F)cc(Br)cc1CN1CCOC[C@H]1c1ncon1 ZINC000894428695 689530370 /nfs/dbraw/zinc/53/03/70/689530370.db2.gz DBNJSPATKUXWDB-NSHDSACASA-N 0 1 358.167 2.250 20 10 FECDMN O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894544618 689551358 /nfs/dbraw/zinc/55/13/58/689551358.db2.gz HJOLSPKRKLTQEL-LBPRGKRZSA-N 0 1 357.223 2.491 20 10 FECDMN COc1ccc(CN2CCCN(C(=O)CC(C)C)CC2)c(O)c1OC ZINC000895873358 689785585 /nfs/dbraw/zinc/78/55/85/689785585.db2.gz SFPGDGQEYUFCSX-UHFFFAOYSA-N 0 1 350.459 2.490 20 10 FECDMN C[C@@H](NC(=O)NCc1ccc(N2CCN(C)CC2)cc1)c1cncs1 ZINC000896443813 689874902 /nfs/dbraw/zinc/87/49/02/689874902.db2.gz DWXMCVCVGSOSQH-CQSZACIVSA-N 0 1 359.499 2.455 20 10 FECDMN COc1ccc(N2CCCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000053772435 540553043 /nfs/dbraw/zinc/55/30/43/540553043.db2.gz QJLIESZQCMSCBK-UHFFFAOYSA-N 0 1 370.478 2.477 20 10 FECDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)Cn1cccn1 ZINC000076118478 542235367 /nfs/dbraw/zinc/23/53/67/542235367.db2.gz BPRYGOLVXGNFHW-CQSZACIVSA-N 0 1 354.248 2.234 20 10 FECDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)Cn1cccn1 ZINC000076118478 542235368 /nfs/dbraw/zinc/23/53/68/542235368.db2.gz BPRYGOLVXGNFHW-CQSZACIVSA-N 0 1 354.248 2.234 20 10 FECDMN O=S(=O)(C1CC1)N1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000802746236 674195437 /nfs/dbraw/zinc/19/54/37/674195437.db2.gz IPPRUJUQRCIBHH-UHFFFAOYSA-N 0 1 364.511 2.271 20 10 FECDMN O=S(=O)(C1CC1)N1CCCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000802746236 674195439 /nfs/dbraw/zinc/19/54/39/674195439.db2.gz IPPRUJUQRCIBHH-UHFFFAOYSA-N 0 1 364.511 2.271 20 10 FECDMN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCc2[nH]ncc21 ZINC000136068339 544366460 /nfs/dbraw/zinc/36/64/60/544366460.db2.gz OTBQRMXAEWPGFH-HNNXBMFYSA-N 0 1 372.444 2.246 20 10 FECDMN Cc1nn(C)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135841 674321945 /nfs/dbraw/zinc/32/19/45/674321945.db2.gz YQJQOJBZXNRBRU-UHFFFAOYSA-N 0 1 350.227 2.219 20 10 FECDMN C[C@@H](NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000181651542 547353485 /nfs/dbraw/zinc/35/34/85/547353485.db2.gz RMNMPAJADGHTRH-OAHLLOKOSA-N 0 1 372.444 2.024 20 10 FECDMN C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000185179055 547946629 /nfs/dbraw/zinc/94/66/29/547946629.db2.gz KKJBRSXAMAWAMV-SSDOTTSWSA-N 0 1 355.154 2.484 20 10 FECDMN CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000230990831 548763020 /nfs/dbraw/zinc/76/30/20/548763020.db2.gz IBMPFTAHWGVNDR-GFCCVEGCSA-N 0 1 365.293 2.087 20 10 FECDMN CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1n[nH]c(=S)s1 ZINC000267207021 550028932 /nfs/dbraw/zinc/02/89/32/550028932.db2.gz YMMXLOOTRUHXLR-UHFFFAOYSA-N 0 1 368.509 2.411 20 10 FECDMN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000268799880 550117540 /nfs/dbraw/zinc/11/75/40/550117540.db2.gz AEIZACRSHSVIMP-QGZVFWFLSA-N 0 1 355.442 2.123 20 10 FECDMN NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000271208799 550352856 /nfs/dbraw/zinc/35/28/56/550352856.db2.gz XEHZLTWXPMTEGY-VIFPVBQESA-N 0 1 353.271 2.200 20 10 FECDMN C[C@H]1CN(Cc2c(O)cccc2Cl)CCN1c1nccn2cnnc12 ZINC000271302116 550362881 /nfs/dbraw/zinc/36/28/81/550362881.db2.gz UMNKDMHZBDXVNG-LBPRGKRZSA-N 0 1 358.833 2.194 20 10 FECDMN C[C@@H]1CN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2F)C[C@H](C)O1 ZINC000271680142 550394683 /nfs/dbraw/zinc/39/46/83/550394683.db2.gz IIRNBJGBCKPBLJ-LZWOXQAQSA-N 0 1 370.490 2.106 20 10 FECDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc3c(c2)CCO3)cc1 ZINC000273348186 550495353 /nfs/dbraw/zinc/49/53/53/550495353.db2.gz ALJQRMMJHWVPRK-UHFFFAOYSA-N 0 1 362.407 2.093 20 10 FECDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC([C@H]3CCCO3)CC1)cc2=O ZINC000275805260 550574612 /nfs/dbraw/zinc/57/46/12/550574612.db2.gz GYTQPVIAGYJJDP-MRXNPFEDSA-N 0 1 374.441 2.003 20 10 FECDMN O=C(NCc1ccc(N2CCOCC2)cc1)c1[nH]nc2c1CCCCC2 ZINC000276488884 550578791 /nfs/dbraw/zinc/57/87/91/550578791.db2.gz UIAAXNKRWCZZGZ-UHFFFAOYSA-N 0 1 354.454 2.445 20 10 FECDMN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCN1C1CC1 ZINC000279260450 550870741 /nfs/dbraw/zinc/87/07/41/550870741.db2.gz VMJQLNFCNKUAGS-IBGZPJMESA-N 0 1 361.461 2.030 20 10 FECDMN O=S1(=O)CCC[C@H](CN(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000283949858 551455876 /nfs/dbraw/zinc/45/58/76/551455876.db2.gz DKVRQZDUVINOMM-WBVHZDCISA-N 0 1 353.484 2.198 20 10 FECDMN OCc1cn([C@H]2CCCN(Cc3cc(Br)ccc3O)C2)nn1 ZINC000293581906 552837340 /nfs/dbraw/zinc/83/73/40/552837340.db2.gz HTWHEYALKMMEIR-AWEZNQCLSA-N 0 1 367.247 2.076 20 10 FECDMN COC(=O)Cn1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)nn1 ZINC000294512142 552912067 /nfs/dbraw/zinc/91/20/67/552912067.db2.gz DARDXPQTZSVGQF-UHFFFAOYSA-N 0 1 358.442 2.492 20 10 FECDMN COC1CCN(c2ccc(CN3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653047 553039532 /nfs/dbraw/zinc/03/95/32/553039532.db2.gz DEYQDVHEPVTABK-ZWKOTPCHSA-N 0 1 361.530 2.189 20 10 FECDMN COc1ccc(N2CCN(CCN[C@@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000297622934 553316738 /nfs/dbraw/zinc/31/67/38/553316738.db2.gz IZRIJKARIISYPD-VQIMIIECSA-N 0 1 355.486 2.309 20 10 FECDMN COc1cc(O)c(CN2CCCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000362380931 554967724 /nfs/dbraw/zinc/96/77/24/554967724.db2.gz SFQCUUICMGKGNJ-UHFFFAOYSA-N 0 1 350.459 2.490 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831295 556149760 /nfs/dbraw/zinc/14/97/60/556149760.db2.gz HGLRVNYMYMARNE-CYBMUJFWSA-N 0 1 372.443 2.098 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831295 556149764 /nfs/dbraw/zinc/14/97/64/556149764.db2.gz HGLRVNYMYMARNE-CYBMUJFWSA-N 0 1 372.443 2.098 20 10 FECDMN O=C(NCc1ccc(N2CCCC2)cc1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000368981001 556466739 /nfs/dbraw/zinc/46/67/39/556466739.db2.gz NZMVBIGYKKUGPQ-UXHICEINSA-N 0 1 372.513 2.027 20 10 FECDMN CCN(CC)c1ccc(CN[C@H]2CCN(c3ccn(C)n3)C2=O)cc1F ZINC000371763204 557286540 /nfs/dbraw/zinc/28/65/40/557286540.db2.gz VZJGLNHXESICLP-INIZCTEOSA-N 0 1 359.449 2.301 20 10 FECDMN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCc2[nH]cnc21 ZINC000377661423 558389301 /nfs/dbraw/zinc/38/93/01/558389301.db2.gz GAFNVARZDQTMQL-HNNXBMFYSA-N 0 1 372.444 2.246 20 10 FECDMN Cn1nnc2cc(C(=O)NCc3cc(Cl)cc(Cl)c3O)cnc21 ZINC000807837071 674431189 /nfs/dbraw/zinc/43/11/89/674431189.db2.gz ZWZANMFOSFETJS-UHFFFAOYSA-N 0 1 352.181 2.306 20 10 FECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1COCCN1CC(F)F ZINC000807836645 674431204 /nfs/dbraw/zinc/43/12/04/674431204.db2.gz IOBYCAWFYJXYGZ-LLVKDONJSA-N 0 1 369.195 2.281 20 10 FECDMN CC(C)OCC[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827031043 600985858 /nfs/dbraw/zinc/98/58/58/600985858.db2.gz QUNTUKICDNKBLW-GQCTYLIASA-N 0 1 363.414 2.240 20 10 FECDMN CN(C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)S(C)(=O)=O ZINC000809689098 674505274 /nfs/dbraw/zinc/50/52/74/674505274.db2.gz TYDLAXCIXREHJH-LLVKDONJSA-N 0 1 364.870 2.288 20 10 FECDMN O=C([O-])N1CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)C1 ZINC000834081791 605619819 /nfs/dbraw/zinc/61/98/19/605619819.db2.gz AQYLATDILNEABH-INIZCTEOSA-N 0 1 363.433 2.379 20 10 FECDMN c1cc(-c2nnn[n-]2)sc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000823757996 606411947 /nfs/dbraw/zinc/41/19/47/606411947.db2.gz ZKFLQPPOYMBSNV-UHFFFAOYSA-N 0 1 356.455 2.055 20 10 FECDMN c1cc(-c2nn[n-]n2)sc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000823757996 606411949 /nfs/dbraw/zinc/41/19/49/606411949.db2.gz ZKFLQPPOYMBSNV-UHFFFAOYSA-N 0 1 356.455 2.055 20 10 FECDMN CS(=O)(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1O ZINC000816487048 675058985 /nfs/dbraw/zinc/05/89/85/675058985.db2.gz BSKQOYCQDLUTSG-NSHDSACASA-N 0 1 350.843 2.088 20 10 FECDMN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1[O-] ZINC000090025982 670709339 /nfs/dbraw/zinc/70/93/39/670709339.db2.gz BHSWYUXZUBDHBX-NWDGAFQWSA-N 0 1 355.232 2.343 20 10 FECDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000092218028 670736647 /nfs/dbraw/zinc/73/66/47/670736647.db2.gz IGKVTISHUIIDFM-CQSZACIVSA-N 0 1 355.822 2.250 20 10 FECDMN CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cccc(Br)c1[O-] ZINC000093707897 670754853 /nfs/dbraw/zinc/75/48/53/670754853.db2.gz DQLSXAAKBKXNQL-UHFFFAOYSA-N 0 1 350.278 2.410 20 10 FECDMN CN(C)S(=O)(=O)CCCN(Cc1ccco1)Cc1ccccc1O ZINC000109761021 670844066 /nfs/dbraw/zinc/84/40/66/670844066.db2.gz RDKMGECHPVXOLT-UHFFFAOYSA-N 0 1 352.456 2.269 20 10 FECDMN CCNS(=O)(=O)CC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000229561412 672798079 /nfs/dbraw/zinc/79/80/79/672798079.db2.gz TXZVKWLHYUUVJY-GFCCVEGCSA-N 0 1 365.293 2.135 20 10 FECDMN C[C@]1(c2ccc(C[NH2+]Cc3cc(Cl)ccc3[O-])cc2)NC(=O)NC1=O ZINC000726190290 673110110 /nfs/dbraw/zinc/11/01/10/673110110.db2.gz YCHOXGZRIHKYAF-GOSISDBHSA-N 0 1 359.813 2.390 20 10 FECDMN COc1ccc2c(c1)CCCN2CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000727116602 673156374 /nfs/dbraw/zinc/15/63/74/673156374.db2.gz CHGCBVPHDFHDIQ-UHFFFAOYSA-N 0 1 357.435 2.470 20 10 FECDMN CCN1CCN(c2ccc(CNS(=O)(=O)CC(C)C)cc2F)CC1 ZINC000730268714 673268239 /nfs/dbraw/zinc/26/82/39/673268239.db2.gz FRVDDHHCMAOXEN-UHFFFAOYSA-N 0 1 357.495 2.043 20 10 FECDMN CN1C(=O)NCC12CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000822529958 675490884 /nfs/dbraw/zinc/49/08/84/675490884.db2.gz LSZYNLOJAVVFSZ-UHFFFAOYSA-N 0 1 354.248 2.144 20 10 FECDMN COc1cc(Br)cc(CNCc2n[nH]c(C3CC3)n2)c1O ZINC000824603128 675613006 /nfs/dbraw/zinc/61/30/06/675613006.db2.gz KHQDBJABYHHPIG-UHFFFAOYSA-N 0 1 353.220 2.449 20 10 FECDMN O=C1NCCN1[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000824601757 675613074 /nfs/dbraw/zinc/61/30/74/675613074.db2.gz NFNRAHLGRUXGOK-CYBMUJFWSA-N 0 1 354.248 2.144 20 10 FECDMN O=C1[C@H]([NH2+]Cc2ccc(Br)cc2[O-])CCN1CC(F)(F)F ZINC000825258763 675643858 /nfs/dbraw/zinc/64/38/58/675643858.db2.gz FBUHGMHPHAKBMR-SNVBAGLBSA-N 0 1 367.165 2.408 20 10 FECDMN CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000825278762 675644643 /nfs/dbraw/zinc/64/46/43/675644643.db2.gz IFODVVFGQHOGHK-GFCCVEGCSA-N 0 1 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WQXXNFPCLGENHH-DZGCQCFKSA-N 0 1 356.308 2.441 20 10 FECDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000072878903 541887305 /nfs/dbraw/zinc/88/73/05/541887305.db2.gz PONJIYJGBIFOPX-UHFFFAOYSA-N 0 1 370.478 2.225 20 10 FECDMN COc1ccc(-n2c(C)cc(C(=O)NCCN3CCN(C)CC3)c2C)cc1 ZINC000073120062 541920450 /nfs/dbraw/zinc/92/04/50/541920450.db2.gz FAJGSBRIDLJLIM-UHFFFAOYSA-N 0 1 370.497 2.080 20 10 FECDMN CS(=O)(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000801517037 674133164 /nfs/dbraw/zinc/13/31/64/674133164.db2.gz JNNSWQVRGKYBJR-HNNXBMFYSA-N 0 1 352.500 2.418 20 10 FECDMN CS(=O)(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)C1 ZINC000801517037 674133167 /nfs/dbraw/zinc/13/31/67/674133167.db2.gz JNNSWQVRGKYBJR-HNNXBMFYSA-N 0 1 352.500 2.418 20 10 FECDMN COCCOc1cccc(CNC(=O)CN(C)Cc2ccccc2O)c1 ZINC000109769081 543338847 /nfs/dbraw/zinc/33/88/47/543338847.db2.gz NAIUOHWJYPUROY-UHFFFAOYSA-N 0 1 358.438 2.166 20 10 FECDMN O=C(c1ccc2[nH]nnc2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109891748 543343606 /nfs/dbraw/zinc/34/36/06/543343606.db2.gz RQYMRRMSFWDNRD-HNNXBMFYSA-N 0 1 352.394 2.485 20 10 FECDMN COC(=O)c1ccc(CNC(=O)[C@H](C)N(C)Cc2ccccc2O)cc1 ZINC000112583492 543453105 /nfs/dbraw/zinc/45/31/05/543453105.db2.gz DIEKSMIDLYXMIO-AWEZNQCLSA-N 0 1 356.422 2.316 20 10 FECDMN Cn1cc(C(=O)NCC2CC[NH+](Cc3c([O-])cccc3Cl)CC2)cn1 ZINC000127116995 543973211 /nfs/dbraw/zinc/97/32/11/543973211.db2.gz RAKMPZRGYRXQMP-UHFFFAOYSA-N 0 1 362.861 2.421 20 10 FECDMN O=S(=O)(C[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl)c1cccs1 ZINC000129442053 544112416 /nfs/dbraw/zinc/11/24/16/544112416.db2.gz BRVKRZTUAKDCAP-JTQLQIEISA-N 0 1 361.872 2.032 20 10 FECDMN CCOCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134261785 544300746 /nfs/dbraw/zinc/30/07/46/544300746.db2.gz LEBBTPGZZBHOLC-MRXNPFEDSA-N 0 1 370.877 2.179 20 10 FECDMN CN(CC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCSC1 ZINC000804737427 674299464 /nfs/dbraw/zinc/29/94/64/674299464.db2.gz QUVYJZZQSQYRSV-GFCCVEGCSA-N 0 1 359.289 2.208 20 10 FECDMN CCn1cncc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135326 674321779 /nfs/dbraw/zinc/32/17/79/674321779.db2.gz JOZDXJKKHUKPLZ-UHFFFAOYSA-N 0 1 350.227 2.394 20 10 FECDMN CCn1nccc1CNCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000159906853 545990818 /nfs/dbraw/zinc/99/08/18/545990818.db2.gz RQFSTPKTPJWZNP-UHFFFAOYSA-N 0 1 357.502 2.214 20 10 FECDMN COc1cc(O)c(CN2CCCN(c3nc(C)ns3)CC2)cc1OC ZINC000160310169 546028002 /nfs/dbraw/zinc/02/80/02/546028002.db2.gz RUIMEHXFWRYZNK-UHFFFAOYSA-N 0 1 364.471 2.282 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)N(C)C3CCC3)CC2)cc1 ZINC000173536037 546282972 /nfs/dbraw/zinc/28/29/72/546282972.db2.gz BUOXEEFEQFYODC-UHFFFAOYSA-N 0 1 360.502 2.401 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)c3cc[nH]c3C)CC2)cc1 ZINC000175088230 546306363 /nfs/dbraw/zinc/30/63/63/546306363.db2.gz YESUSFVVXHDNCV-UHFFFAOYSA-N 0 1 356.470 2.274 20 10 FECDMN Cc1cc(NC(=O)CN2CCN(Cc3cccc(Cl)c3O)CC2)no1 ZINC000179642929 546990131 /nfs/dbraw/zinc/99/01/31/546990131.db2.gz BDLHVYRQYOJLAI-UHFFFAOYSA-N 0 1 364.833 2.098 20 10 FECDMN Cc1cc(NC(=O)CN2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000179642929 546990138 /nfs/dbraw/zinc/99/01/38/546990138.db2.gz BDLHVYRQYOJLAI-UHFFFAOYSA-N 0 1 364.833 2.098 20 10 FECDMN C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000185179034 547946860 /nfs/dbraw/zinc/94/68/60/547946860.db2.gz KKJBRSXAMAWAMV-ZETCQYMHSA-N 0 1 355.154 2.484 20 10 FECDMN C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(F)ccc1[O-] ZINC000186026135 548074477 /nfs/dbraw/zinc/07/44/77/548074477.db2.gz SXOOOQKDULKDRH-JTQLQIEISA-N 0 1 366.405 2.446 20 10 FECDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000267427162 550031736 /nfs/dbraw/zinc/03/17/36/550031736.db2.gz BOUOPBXQBMAKJH-JSGCOSHPSA-N 0 1 366.433 2.097 20 10 FECDMN COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427162 550031740 /nfs/dbraw/zinc/03/17/40/550031740.db2.gz BOUOPBXQBMAKJH-JSGCOSHPSA-N 0 1 366.433 2.097 20 10 FECDMN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000268829387 550120724 /nfs/dbraw/zinc/12/07/24/550120724.db2.gz JHUPIZXIMIBYFF-INIZCTEOSA-N 0 1 373.432 2.262 20 10 FECDMN NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000271208797 550352636 /nfs/dbraw/zinc/35/26/36/550352636.db2.gz XEHZLTWXPMTEGY-SECBINFHSA-N 0 1 353.271 2.200 20 10 FECDMN CN(C)c1ccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000273517095 550501523 /nfs/dbraw/zinc/50/15/23/550501523.db2.gz RZPSHVDYHHQLQO-UHFFFAOYSA-N 0 1 363.439 2.224 20 10 FECDMN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273583395 550504037 /nfs/dbraw/zinc/50/40/37/550504037.db2.gz NCVLGYBEVFLMIY-HUUCEWRRSA-N 0 1 350.463 2.225 20 10 FECDMN COc1cc(N2CCN(Cc3nc(C)ccc3O)CC2)cc(OC)c1OC ZINC000273715564 550508877 /nfs/dbraw/zinc/50/88/77/550508877.db2.gz GZVXHKKNUXIPKD-UHFFFAOYSA-N 0 1 373.453 2.444 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133797 550752876 /nfs/dbraw/zinc/75/28/76/550752876.db2.gz CPNMZIZBOLWZHY-YGRLFVJLSA-N 0 1 364.320 2.444 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133797 550752877 /nfs/dbraw/zinc/75/28/77/550752877.db2.gz CPNMZIZBOLWZHY-YGRLFVJLSA-N 0 1 364.320 2.444 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143715 550754003 /nfs/dbraw/zinc/75/40/03/550754003.db2.gz BJEYLRAKHNKVCF-GXFFZTMASA-N 0 1 350.293 2.197 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143715 550754005 /nfs/dbraw/zinc/75/40/05/550754005.db2.gz BJEYLRAKHNKVCF-GXFFZTMASA-N 0 1 350.293 2.197 20 10 FECDMN COc1c([O-])c(C[NH2+][C@H](C)C(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278935148 550837957 /nfs/dbraw/zinc/83/79/57/550837957.db2.gz WVUKQXLGPUBGJP-GFCCVEGCSA-N 0 1 359.382 2.104 20 10 FECDMN CCCOc1ccc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000279474140 550894265 /nfs/dbraw/zinc/89/42/65/550894265.db2.gz SNJVTNUOHRCECB-MRXNPFEDSA-N 0 1 368.499 2.181 20 10 FECDMN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000288960818 552244151 /nfs/dbraw/zinc/24/41/51/552244151.db2.gz HEXNYJWKZFYQIG-YJBOKZPZSA-N 0 1 373.497 2.120 20 10 FECDMN O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1c(F)ccc(O)c1[O-] ZINC000295335165 552989284 /nfs/dbraw/zinc/98/92/84/552989284.db2.gz UJOXEWXEGAFAKC-UHFFFAOYSA-N 0 1 374.412 2.124 20 10 FECDMN Cc1cc(C(=O)NCCN2CCC(O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000297043127 553246165 /nfs/dbraw/zinc/24/61/65/553246165.db2.gz SWSUHUSIDGSGDE-UHFFFAOYSA-N 0 1 359.445 2.420 20 10 FECDMN COC1CCN(c2ccc(CN3CCN(c4cccnn4)CC3)cc2)CC1 ZINC000297180322 553260059 /nfs/dbraw/zinc/26/00/59/553260059.db2.gz PYMVKCHYKZSXLA-UHFFFAOYSA-N 0 1 367.497 2.414 20 10 FECDMN COCCCCC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000299385277 553556111 /nfs/dbraw/zinc/55/61/11/553556111.db2.gz OUJUMEBKEWLDDC-UHFFFAOYSA-N 0 1 363.502 2.140 20 10 FECDMN COc1ccc(N2CCC(N(C)CC(=O)Nc3nncs3)CC2)cc1 ZINC000365715742 555649003 /nfs/dbraw/zinc/64/90/03/555649003.db2.gz KTLZUMJMPKWIQQ-UHFFFAOYSA-N 0 1 361.471 2.086 20 10 FECDMN O=S(=O)(NC1CCN(Cc2cc(F)ccc2O)CC1)c1ccccc1 ZINC000374908201 557949685 /nfs/dbraw/zinc/94/96/85/557949685.db2.gz GYZKCEADWBNAIM-UHFFFAOYSA-N 0 1 364.442 2.474 20 10 FECDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377667548 558391132 /nfs/dbraw/zinc/39/11/32/558391132.db2.gz DNTDMHXSFLBRAU-KRWDZBQOSA-N 0 1 372.387 2.451 20 10 FECDMN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCc4[nH]cnc4C3)CC2)cc1 ZINC000378097344 558480657 /nfs/dbraw/zinc/48/06/57/558480657.db2.gz UTAXCTIYELMHIJ-OAHLLOKOSA-N 0 1 369.469 2.198 20 10 FECDMN C[C@@H]1CCCN1C(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000828271806 601006310 /nfs/dbraw/zinc/00/63/10/601006310.db2.gz PVJHHZMPRSRNQS-GFCCVEGCSA-N 0 1 354.834 2.333 20 10 FECDMN Cc1cc(C(=O)C[N@@H+]2CCC[C@H]2CO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858083 601594883 /nfs/dbraw/zinc/59/48/83/601594883.db2.gz GYFXYDOADWBGSH-KRWDZBQOSA-N 0 1 356.422 2.432 20 10 FECDMN Cc1cc(C(=O)C[N@H+]2CCC[C@H]2CO)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858083 601594884 /nfs/dbraw/zinc/59/48/84/601594884.db2.gz GYFXYDOADWBGSH-KRWDZBQOSA-N 0 1 356.422 2.432 20 10 FECDMN COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739760559 602431363 /nfs/dbraw/zinc/43/13/63/602431363.db2.gz HFSHNHJUTMDNSM-LBPRGKRZSA-N 0 1 370.833 2.411 20 10 FECDMN COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739760559 602431364 /nfs/dbraw/zinc/43/13/64/602431364.db2.gz HFSHNHJUTMDNSM-LBPRGKRZSA-N 0 1 370.833 2.411 20 10 FECDMN Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859036 604767852 /nfs/dbraw/zinc/76/78/52/604767852.db2.gz NWTZKLNOAIOGAL-OAHLLOKOSA-N 0 1 356.422 2.289 20 10 FECDMN Cc1cc(C(=O)C[N@H+]2CC[C@@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859036 604767853 /nfs/dbraw/zinc/76/78/53/604767853.db2.gz NWTZKLNOAIOGAL-OAHLLOKOSA-N 0 1 356.422 2.289 20 10 FECDMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000833742578 605259297 /nfs/dbraw/zinc/25/92/97/605259297.db2.gz PPSVXBQKWGXSIY-OAHLLOKOSA-N 0 1 370.453 2.110 20 10 FECDMN COc1ccc(O)c(CN2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826210491 608590546 /nfs/dbraw/zinc/59/05/46/608590546.db2.gz UDRFARIROZEXKO-GOSISDBHSA-N 0 1 367.409 2.154 20 10 FECDMN COC(=O)Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 ZINC000811696793 674620883 /nfs/dbraw/zinc/62/08/83/674620883.db2.gz QHANCPUHRGIFNS-UHFFFAOYSA-N 0 1 363.391 2.111 20 10 FECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@]12CCC(=O)N1CCS2 ZINC000813685327 674769403 /nfs/dbraw/zinc/76/94/03/674769403.db2.gz GJKBMOUDCMABGS-CQSZACIVSA-N 0 1 361.250 2.381 20 10 FECDMN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)nn1 ZINC000816569708 675065886 /nfs/dbraw/zinc/06/58/86/675065886.db2.gz UJUJKFQXTOBOIU-SNVBAGLBSA-N 0 1 354.769 2.010 20 10 FECDMN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc2c1OCC2 ZINC000817354798 675124314 /nfs/dbraw/zinc/12/43/14/675124314.db2.gz IUDSSDGLVNGPNM-UHFFFAOYSA-N 0 1 360.435 2.259 20 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/nfs/dbraw/zinc/23/26/77/672232677.db2.gz DCGYEGWLZOSDMG-KRWDZBQOSA-N 0 1 363.527 2.218 20 10 FECDMN CNC(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000179821822 672405943 /nfs/dbraw/zinc/40/59/43/672405943.db2.gz MKFLEGKEUBATEW-UHFFFAOYSA-N 0 1 357.248 2.121 20 10 FECDMN CC(C)(CN1CCOCC1)C(=O)NCc1cc(Br)ccc1O ZINC000822898984 675515016 /nfs/dbraw/zinc/51/50/16/675515016.db2.gz OWVNBKMPVGUYAA-UHFFFAOYSA-N 0 1 371.275 2.129 20 10 FECDMN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2=NC(=O)N(C)C2)cc1 ZINC000912110160 685315198 /nfs/dbraw/zinc/31/51/98/685315198.db2.gz OREVTUYEUYUHTI-UHFFFAOYSA-N 0 1 356.348 2.396 20 10 FECDMN COC(=O)C[C@]1([NH2+]Cc2cc(Br)ccc2[O-])CCCOC1 ZINC000770678345 681023571 /nfs/dbraw/zinc/02/35/71/681023571.db2.gz ZTMCRPMYASOXPK-OAHLLOKOSA-N 0 1 358.232 2.357 20 10 FECDMN Cn1c(=O)sc2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)ccc21 ZINC000773140202 681127207 /nfs/dbraw/zinc/12/72/07/681127207.db2.gz PUWOBTOZIUMLOA-UKTHLTGXSA-N 0 1 351.387 2.061 20 10 FECDMN 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C[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000773102688 681125643 /nfs/dbraw/zinc/12/56/43/681125643.db2.gz HSPZFKKWYQGJAQ-QWHCGFSZSA-N 0 1 360.907 2.260 20 10 FECDMN CCc1noc(COCC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000935993147 681871118 /nfs/dbraw/zinc/87/11/18/681871118.db2.gz QQHMYRPCJWWWQF-UHFFFAOYSA-N 0 1 360.197 2.477 20 10 FECDMN CN(C)c1ccc(/C=C\CNCCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850365524 681892792 /nfs/dbraw/zinc/89/27/92/681892792.db2.gz JPCMTMHVDGGKOA-ARJAWSKDSA-N 0 1 350.406 2.333 20 10 FECDMN Cc1cc(Br)c([O-])c(C[N@H+](CCO)C2CCN(C)CC2)c1 ZINC000781899152 681986571 /nfs/dbraw/zinc/98/65/71/681986571.db2.gz HTSQKHBIECGMJL-UHFFFAOYSA-N 0 1 357.292 2.352 20 10 FECDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000781902234 681986979 /nfs/dbraw/zinc/98/69/79/681986979.db2.gz OXSXSQNSTYCRJZ-ZDUSSCGKSA-N 0 1 368.275 2.453 20 10 FECDMN COC1CCN(c2ccc(C[N@H+]3CCSC[C@H]3C(=O)[O-])cc2)CC1 ZINC000851705390 682107516 /nfs/dbraw/zinc/10/75/16/682107516.db2.gz JBBZLMADTMZVRP-KRWDZBQOSA-N 0 1 350.484 2.304 20 10 FECDMN COc1ccc(N2CCN(C(=O)c3nc[nH]c3C(F)(F)F)CC2)cc1 ZINC000854199019 682523416 /nfs/dbraw/zinc/52/34/16/682523416.db2.gz VAVYIQJMIBOJJD-UHFFFAOYSA-N 0 1 354.332 2.400 20 10 FECDMN O=S(=O)(NC1CCCC1)C1CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000792173368 682794038 /nfs/dbraw/zinc/79/40/38/682794038.db2.gz CRVVNBYDVHPVIP-UHFFFAOYSA-N 0 1 362.854 2.231 20 10 FECDMN Cc1cc([O-])c(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)cc1Cl ZINC000862464060 683593232 /nfs/dbraw/zinc/59/32/32/683593232.db2.gz RLMAVYIMWVIFEB-SFHVURJKSA-N 0 1 354.878 2.059 20 10 FECDMN [O-]c1cccc(Br)c1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922620314 683756109 /nfs/dbraw/zinc/75/61/09/683756109.db2.gz QQEXUFVNZMVEHI-UHFFFAOYSA-N 0 1 372.259 2.293 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)O[C@H](C)COC)cc2F)CC1 ZINC000866746718 684144350 /nfs/dbraw/zinc/14/43/50/684144350.db2.gz DPRDJDUZHVUZIW-CQSZACIVSA-N 0 1 353.438 2.229 20 10 FECDMN Cc1csc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000881853914 687234980 /nfs/dbraw/zinc/23/49/80/687234980.db2.gz OFNXOOCRZCQAHE-UHFFFAOYSA-N 0 1 358.511 2.452 20 10 FECDMN CN1CCN(C(C)(C)C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882886853 687523714 /nfs/dbraw/zinc/52/37/14/687523714.db2.gz PKWXRDVWFYHIMN-UHFFFAOYSA-N 0 1 374.298 2.409 20 10 FECDMN OC[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895836608 689777867 /nfs/dbraw/zinc/77/78/67/689777867.db2.gz NTRXOUVIJIZADP-MRXNPFEDSA-N 0 1 362.367 2.409 20 10 FECDMN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1Cl)C(=O)NCCF ZINC000800498201 674057513 /nfs/dbraw/zinc/05/75/13/674057513.db2.gz FBRXETJBFCUJEM-CHWSQXEVSA-N 0 1 357.857 2.301 20 10 FECDMN COCCCNC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079401835 542517034 /nfs/dbraw/zinc/51/70/34/542517034.db2.gz ZOJUZXXFOMDXPC-UHFFFAOYSA-N 0 1 366.433 2.099 20 10 FECDMN O=C1NCCN1[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000092188234 542847825 /nfs/dbraw/zinc/84/78/25/542847825.db2.gz IFDFCKWFSOQTKT-ZDUSSCGKSA-N 0 1 354.248 2.144 20 10 FECDMN CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000802656217 674190428 /nfs/dbraw/zinc/19/04/28/674190428.db2.gz MACABHREEWUVSL-ZDUSSCGKSA-N 0 1 369.259 2.432 20 10 FECDMN CN(C)C(=O)CN1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000129385836 544109622 /nfs/dbraw/zinc/10/96/22/544109622.db2.gz TXEZIRKBYMGIJD-UHFFFAOYSA-N 0 1 360.285 2.295 20 10 FECDMN Cc1cc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]n1 ZINC000267954626 550035938 /nfs/dbraw/zinc/03/59/38/550035938.db2.gz NMDIWPQFJROGGU-ZIAGYGMSSA-N 0 1 360.433 2.330 20 10 FECDMN CC(=O)N[C@@H]1CCCN(C(=O)CN(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000268565435 550087761 /nfs/dbraw/zinc/08/77/61/550087761.db2.gz FPORJPYILZGTCZ-LJQANCHMSA-N 0 1 374.529 2.090 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)CC(C)(C)OC)CC2)cc1 ZINC000278482994 550791095 /nfs/dbraw/zinc/79/10/95/550791095.db2.gz KGNQEBAGYOMLQQ-UHFFFAOYSA-N 0 1 363.502 2.139 20 10 FECDMN Cc1ccc([C@@H](N)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000280748265 551027930 /nfs/dbraw/zinc/02/79/30/551027930.db2.gz PQFYQXSLSIPYIY-HXUWFJFHSA-N 0 1 371.456 2.411 20 10 FECDMN CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290145041 552434290 /nfs/dbraw/zinc/43/42/90/552434290.db2.gz CJAIJQCBARFABI-CQSZACIVSA-N 0 1 358.479 2.136 20 10 FECDMN COCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000290356520 552466375 /nfs/dbraw/zinc/46/63/75/552466375.db2.gz GMUNCTQAPDVKSD-LBPRGKRZSA-N 0 1 368.282 2.335 20 10 FECDMN COCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000290356520 552466376 /nfs/dbraw/zinc/46/63/76/552466376.db2.gz GMUNCTQAPDVKSD-LBPRGKRZSA-N 0 1 368.282 2.335 20 10 FECDMN CCOC(=O)C1([S@](C)=O)CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000294662516 552924817 /nfs/dbraw/zinc/92/48/17/552924817.db2.gz AHFHRXLDLBUNBL-DEOSSOPVSA-N 0 1 353.484 2.285 20 10 FECDMN CN(C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1)S(C)(=O)=O ZINC000294687411 552926869 /nfs/dbraw/zinc/92/68/69/552926869.db2.gz NHCYWPOSSOAOGX-LLVKDONJSA-N 0 1 364.870 2.288 20 10 FECDMN C[C@@H]1CN(c2ccc(NC(=O)c3c(F)ccc(O)c3O)cn2)C[C@H](C)O1 ZINC000295000867 552950379 /nfs/dbraw/zinc/95/03/79/552950379.db2.gz ZWUXNOSFQOJWBO-PHIMTYICSA-N 0 1 361.373 2.498 20 10 FECDMN COC1CCN(c2ccc(CN3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653040 553039336 /nfs/dbraw/zinc/03/93/36/553039336.db2.gz DEYQDVHEPVTABK-ROUUACIJSA-N 0 1 361.530 2.189 20 10 FECDMN O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)CC[C@@H]12 ZINC000366481799 555856507 /nfs/dbraw/zinc/85/65/07/555856507.db2.gz LMPZNRNGSPVOHA-QZTJIDSGSA-N 0 1 366.417 2.066 20 10 FECDMN Fc1ccc(N2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000367722781 556123745 /nfs/dbraw/zinc/12/37/45/556123745.db2.gz RKTYDWVASZLVBP-UHFFFAOYSA-N 0 1 356.445 2.380 20 10 FECDMN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000369423511 556597149 /nfs/dbraw/zinc/59/71/49/556597149.db2.gz GJIDAJFVKWTTPZ-DNVCBOLYSA-N 0 1 371.485 2.350 20 10 FECDMN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000369423510 556597394 /nfs/dbraw/zinc/59/73/94/556597394.db2.gz GJIDAJFVKWTTPZ-BEFAXECRSA-N 0 1 371.485 2.350 20 10 FECDMN C[C@@]1([C@H]2CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410662 557463767 /nfs/dbraw/zinc/46/37/67/557463767.db2.gz VBAQUNLUSYOMIL-XOBRGWDASA-N 0 1 353.422 2.356 20 10 FECDMN C[C@@]1([C@H]2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410662 557463769 /nfs/dbraw/zinc/46/37/69/557463769.db2.gz VBAQUNLUSYOMIL-XOBRGWDASA-N 0 1 353.422 2.356 20 10 FECDMN Cn1cc([C@@H]2[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCCN2C)cn1 ZINC000378537491 558577833 /nfs/dbraw/zinc/57/78/33/558577833.db2.gz FAJKQWDKCWXNPJ-OFENVMMZSA-N 0 1 370.453 2.044 20 10 FECDMN CCNC(=O)[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435621183 559926397 /nfs/dbraw/zinc/92/63/97/559926397.db2.gz JOHLWISIWBDUEN-HNNXBMFYSA-N 0 1 370.497 2.049 20 10 FECDMN COc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807511395 674418113 /nfs/dbraw/zinc/41/81/13/674418113.db2.gz MDUNVTJXQCOSPZ-UHFFFAOYSA-N 0 1 370.192 2.358 20 10 FECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCS1(=O)=O ZINC000807839943 674431258 /nfs/dbraw/zinc/43/12/58/674431258.db2.gz NIVSIADVAFPUNP-LLVKDONJSA-N 0 1 352.239 2.283 20 10 FECDMN CN(C)c1ccc(CN(C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821611162 607386996 /nfs/dbraw/zinc/38/69/96/607386996.db2.gz SSGXBSLEQWRXPP-UHFFFAOYSA-N 0 1 362.441 2.212 20 10 FECDMN CC[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000736943598 600213749 /nfs/dbraw/zinc/21/37/49/600213749.db2.gz PGZFJBVZBIELJI-ZQMJAJRESA-N 0 1 363.414 2.240 20 10 FECDMN C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CCS(=O)(=O)CC1 ZINC000809713167 674506772 /nfs/dbraw/zinc/50/67/72/674506772.db2.gz KMHORZIYQFZPKQ-SNVBAGLBSA-N 0 1 362.289 2.458 20 10 FECDMN Cc1cc(C(=O)C[N@@H+]2CC[C@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859034 604767745 /nfs/dbraw/zinc/76/77/45/604767745.db2.gz NWTZKLNOAIOGAL-HNNXBMFYSA-N 0 1 356.422 2.289 20 10 FECDMN Cc1cc(C(=O)C[N@H+]2CC[C@H](CO)C2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859034 604767750 /nfs/dbraw/zinc/76/77/50/604767750.db2.gz NWTZKLNOAIOGAL-HNNXBMFYSA-N 0 1 356.422 2.289 20 10 FECDMN CC(=O)c1cc(Cl)cc(CN2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1O ZINC000833401652 605192823 /nfs/dbraw/zinc/19/28/23/605192823.db2.gz ZSQKCHSPQSJXSN-NSHDSACASA-N 0 1 354.834 2.229 20 10 FECDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093664796 670754968 /nfs/dbraw/zinc/75/49/68/670754968.db2.gz LHGFPZSRAZGRKU-ZDUSSCGKSA-N 0 1 355.276 2.309 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)C[C@@H](C)SC)CC2)cc1 ZINC000156279168 672244212 /nfs/dbraw/zinc/24/42/12/672244212.db2.gz SVUVBYVSCYTCDK-MRXNPFEDSA-N 0 1 365.543 2.465 20 10 FECDMN COc1cc(Br)cc(CN2CCC(CC(N)=O)CC2)c1O ZINC000159735023 672285121 /nfs/dbraw/zinc/28/51/21/672285121.db2.gz CCNCQFRZGFVLLX-UHFFFAOYSA-N 0 1 357.248 2.251 20 10 FECDMN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1Cl ZINC000825484182 675655578 /nfs/dbraw/zinc/65/55/78/675655578.db2.gz IKQJATDEQLGIPS-HNNXBMFYSA-N 0 1 362.861 2.368 20 10 FECDMN COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825556133 675658673 /nfs/dbraw/zinc/65/86/73/675658673.db2.gz OBAFXVLUWFSUCF-DZGCQCFKSA-N 0 1 360.248 2.065 20 10 FECDMN O=C(CC1(O)CCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000827095920 675728826 /nfs/dbraw/zinc/72/88/26/675728826.db2.gz NTRARKHOYJJIOL-HNNXBMFYSA-N 0 1 352.862 2.431 20 10 FECDMN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1 ZINC000761998901 680737096 /nfs/dbraw/zinc/73/70/96/680737096.db2.gz AMNXLYJUHQQVSG-UHFFFAOYSA-N 0 1 364.423 2.340 20 10 FECDMN C[C@@H](NCCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000839564714 680761965 /nfs/dbraw/zinc/76/19/65/680761965.db2.gz XPJRWAAUWMESNY-CQSZACIVSA-N 0 1 370.515 2.160 20 10 FECDMN COCc1cc(O)ccc1NS(=O)(=O)c1cc(OC)ccc1OC ZINC000840915107 680852747 /nfs/dbraw/zinc/85/27/47/680852747.db2.gz KDKRHINCFJKCGV-UHFFFAOYSA-N 0 1 353.396 2.357 20 10 FECDMN COC(=O)c1cn([C@@H]2CC[N@H+](Cc3c([O-])cc(C)cc3Cl)C2)nn1 ZINC000840938813 680855113 /nfs/dbraw/zinc/85/51/13/680855113.db2.gz HJIKPTRAYSLTRO-LLVKDONJSA-N 0 1 350.806 2.179 20 10 FECDMN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c([O-])cc(C)cc3Cl)C2)nn1 ZINC000840938813 680855114 /nfs/dbraw/zinc/85/51/14/680855114.db2.gz HJIKPTRAYSLTRO-LLVKDONJSA-N 0 1 350.806 2.179 20 10 FECDMN CN(C)c1ccc(/C=C\CN2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000835026194 680286797 /nfs/dbraw/zinc/28/67/97/680286797.db2.gz RWXDMHSGCVEFPI-MJRGOJFPSA-N 0 1 351.516 2.170 20 10 FECDMN COc1cc(Br)cc(CN2CCC3(COC(=O)N3)CC2)c1O ZINC000753587121 680305359 /nfs/dbraw/zinc/30/53/59/680305359.db2.gz LZXOMXSQOGDQRK-UHFFFAOYSA-N 0 1 371.231 2.238 20 10 FECDMN O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842012746 680922008 /nfs/dbraw/zinc/92/20/08/680922008.db2.gz AVCDQBSLVSRPIS-WCFLWFBJSA-N 0 1 368.275 2.342 20 10 FECDMN CC(C)c1nc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n[nH]1 ZINC000842250481 680934812 /nfs/dbraw/zinc/93/48/12/680934812.db2.gz LPCRAFSSCWDHIT-UHFFFAOYSA-N 0 1 363.805 2.252 20 10 FECDMN O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])Oc2ccccc21 ZINC000842722211 680962072 /nfs/dbraw/zinc/96/20/72/680962072.db2.gz OAPSPNFERFKMOT-CYBMUJFWSA-N 0 1 353.827 2.370 20 10 FECDMN CN(C)c1ccc([C@@H]([NH3+])C[N-]S(=O)(=O)c2sccc2Cl)cc1 ZINC000842786282 680966485 /nfs/dbraw/zinc/96/64/85/680966485.db2.gz VIBZKKXPCXSVGC-ZDUSSCGKSA-N 0 1 359.904 2.446 20 10 FECDMN O=C(NC[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058322 680985077 /nfs/dbraw/zinc/98/50/77/680985077.db2.gz RQAVQZRAFVVKCN-SWLSCSKDSA-N 0 1 369.868 2.265 20 10 FECDMN COc1c([O-])c(C[NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775007364 681267347 /nfs/dbraw/zinc/26/73/47/681267347.db2.gz LPKQSGFZOYYYGB-RYUDHWBXSA-N 0 1 351.403 2.188 20 10 FECDMN C[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(N(C)C)cc1 ZINC000775834657 681340128 /nfs/dbraw/zinc/34/01/28/681340128.db2.gz BTDFFURBLQSDHE-ZDUSSCGKSA-N 0 1 358.467 2.425 20 10 FECDMN O=C1[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCN1C1CCOCC1 ZINC000776230446 681375036 /nfs/dbraw/zinc/37/50/36/681375036.db2.gz 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CCN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN3C(=O)[O-])cc2F)CC1 ZINC000739457901 602686300 /nfs/dbraw/zinc/68/63/00/602686300.db2.gz VDGMYGCAGCTJMO-INIZCTEOSA-N 0 1 364.465 2.200 20 10 FECDMN CN(C)c1ccc(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000809783934 674509898 /nfs/dbraw/zinc/50/98/98/674509898.db2.gz GFUJOGZRZLAWKV-HNNXBMFYSA-N 0 1 369.506 2.186 20 10 FECDMN Cc1cc(C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c(C)n1-c1ccccn1 ZINC000833742678 605110575 /nfs/dbraw/zinc/11/05/75/605110575.db2.gz SARNSSLMJXPIDK-OAHLLOKOSA-N 0 1 370.453 2.110 20 10 FECDMN O=[N+]([O-])c1ccc2[nH]c(C(Cl)=CC3=S=C(c4nn[nH]n4)C=C3)nc2c1 ZINC000823643827 606390071 /nfs/dbraw/zinc/39/00/71/606390071.db2.gz CJFZVPGADJAKBE-TWGQIWQCSA-N 0 1 373.785 2.260 20 10 FECDMN CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816488088 675059056 /nfs/dbraw/zinc/05/90/56/675059056.db2.gz IADNTTVGUXBUNS-LBPRGKRZSA-N 0 1 364.870 2.479 20 10 FECDMN CCN(CC(=O)NC1CCOCC1)Cc1cc(Br)ccc1O ZINC000076118577 670542034 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CC[C@H](C)NC(=S)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000749763318 680073303 /nfs/dbraw/zinc/07/33/03/680073303.db2.gz PJTCYSYGVXEYMZ-INIZCTEOSA-N 0 1 364.559 2.470 20 10 FECDMN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000753732057 680311656 /nfs/dbraw/zinc/31/16/56/680311656.db2.gz OJSVREMFOWJCGZ-GOEBONIOSA-N 0 1 370.490 2.280 20 10 FECDMN Cc1nc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)sc1C(=O)[O-] ZINC000756300373 680471558 /nfs/dbraw/zinc/47/15/58/680471558.db2.gz KVEUZQVTUYFOKI-UHFFFAOYSA-N 0 1 365.430 2.415 20 10 FECDMN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)C(F)F ZINC000837708254 680638596 /nfs/dbraw/zinc/63/85/96/680638596.db2.gz SFTCPOWRKWMPRU-UHFFFAOYSA-N 0 1 356.266 2.318 20 10 FECDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(C(F)F)CC1)cc2=O ZINC000767082494 680898405 /nfs/dbraw/zinc/89/84/05/680898405.db2.gz LOEWTLRGJYGDBC-UHFFFAOYSA-N 0 1 354.357 2.089 20 10 FECDMN C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841765427 680910864 /nfs/dbraw/zinc/91/08/64/680910864.db2.gz 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ZINC000908460273 691683817 /nfs/dbraw/zinc/68/38/17/691683817.db2.gz RCGQGSSYUOWYKH-CQSZACIVSA-N 0 1 367.437 2.227 20 10 FECDMN NC(=O)C1CCN(c2ncccc2C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113335319 543484495 /nfs/dbraw/zinc/48/44/95/543484495.db2.gz RMUANKHQQQWOTI-UHFFFAOYSA-N 0 1 374.872 2.432 20 10 FECDMN C[C@H]1CN(CCCNC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1 ZINC000125226237 543868425 /nfs/dbraw/zinc/86/84/25/543868425.db2.gz XQZBTQQMCZVZTL-ROUUACIJSA-N 0 1 372.513 2.361 20 10 FECDMN CC[C@H](C)OCC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000127272950 543981960 /nfs/dbraw/zinc/98/19/60/543981960.db2.gz FZDLOKWUBQTKLR-HNNXBMFYSA-N 0 1 351.466 2.399 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000132265652 544225118 /nfs/dbraw/zinc/22/51/18/544225118.db2.gz GAJQDYKMYPNONU-QFIPXVFZSA-N 0 1 367.493 2.135 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)n3cccn3)cc2F)CC1 ZINC000264484386 549996720 /nfs/dbraw/zinc/99/67/20/549996720.db2.gz JFAXWCKIAMGSPZ-HNNXBMFYSA-N 0 1 359.449 2.042 20 10 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20 10 FECDMN CN(C)c1ccc(CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000365146741 555494924 /nfs/dbraw/zinc/49/49/24/555494924.db2.gz OIQCGUVYWVDTGY-VQTJNVASSA-N 0 1 372.513 2.290 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831296 556149962 /nfs/dbraw/zinc/14/99/62/556149962.db2.gz HGLRVNYMYMARNE-ZDUSSCGKSA-N 0 1 372.443 2.098 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831296 556149965 /nfs/dbraw/zinc/14/99/65/556149965.db2.gz HGLRVNYMYMARNE-ZDUSSCGKSA-N 0 1 372.443 2.098 20 10 FECDMN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000368874036 556435474 /nfs/dbraw/zinc/43/54/74/556435474.db2.gz BXXLQFCRXKTPSB-ZIAGYGMSSA-N 0 1 355.341 2.038 20 10 FECDMN CCCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000377202577 558287884 /nfs/dbraw/zinc/28/78/84/558287884.db2.gz WLXYMJNMXBTDFE-UHFFFAOYSA-N 0 1 351.403 2.143 20 10 FECDMN CCCC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 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CC(=O)c1cc(Cl)cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[O-] ZINC000852708443 682323829 /nfs/dbraw/zinc/32/38/29/682323829.db2.gz BLNMRCWWKLSZFV-INIZCTEOSA-N 0 1 352.862 2.279 20 10 FECDMN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853622305 682446972 /nfs/dbraw/zinc/44/69/72/682446972.db2.gz WHEIEACLMRTJDK-KOLCDFICSA-N 0 1 360.332 2.010 20 10 FECDMN NC(=O)c1cc(-c2csc(NC(=O)c3c(F)ccc(O)c3O)n2)c[nH]1 ZINC000789974986 682642222 /nfs/dbraw/zinc/64/22/22/682642222.db2.gz ZHYPTRYVOOULMF-UHFFFAOYSA-N 0 1 362.342 2.040 20 10 FECDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)n[nH]1 ZINC000791372549 682738694 /nfs/dbraw/zinc/73/86/94/682738694.db2.gz DSYHPWJTEOCRLR-UHFFFAOYSA-N 0 1 351.204 2.277 20 10 FECDMN C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000794827647 682997869 /nfs/dbraw/zinc/99/78/69/682997869.db2.gz HKVCEOTWUUTMSS-CYBMUJFWSA-N 0 1 372.918 2.404 20 10 FECDMN O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926668726 683160809 /nfs/dbraw/zinc/16/08/09/683160809.db2.gz KNWMFBMZTOVBJB-CDMKHQONSA-N 0 1 361.225 2.302 20 10 FECDMN CON(C)C(=O)C1CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862373781 683579809 /nfs/dbraw/zinc/57/98/09/683579809.db2.gz WPQMMPIILUNHKI-UHFFFAOYSA-N 0 1 357.248 2.387 20 10 FECDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922953366 683810383 /nfs/dbraw/zinc/81/03/83/683810383.db2.gz APGSUIDHJPSUKX-ZDUSSCGKSA-N 0 1 355.276 2.498 20 10 FECDMN COc1ccc(N2CCN(C[C@H](O)CC3(O)CCCC3)CC2)cc1F ZINC000878181631 686536160 /nfs/dbraw/zinc/53/61/60/686536160.db2.gz WGTPLFLDISPMFU-MRXNPFEDSA-N 0 1 352.450 2.012 20 10 FECDMN CCc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881855247 687235574 /nfs/dbraw/zinc/23/55/74/687235574.db2.gz RRLMTUGFHPAZLX-UHFFFAOYSA-N 0 1 361.877 2.307 20 10 FECDMN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCCN1CCOCC1 ZINC000882894663 687524993 /nfs/dbraw/zinc/52/49/93/687524993.db2.gz VGVHHCOHWZQTGH-UHFFFAOYSA-N 0 1 361.255 2.496 20 10 FECDMN O=C(NCc1cccc(Cl)c1[O-])NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893739747 689397081 /nfs/dbraw/zinc/39/70/81/689397081.db2.gz CSCRDIGKZJLLKU-HOTGVXAUSA-N 0 1 367.877 2.223 20 10 FECDMN Oc1c(F)cc(Br)cc1CN1CCN(c2cnccn2)CC1 ZINC000893945552 689435092 /nfs/dbraw/zinc/43/50/92/689435092.db2.gz FARIGCZTYHMJMT-UHFFFAOYSA-N 0 1 367.222 2.406 20 10 FECDMN Cn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000895380272 689706713 /nfs/dbraw/zinc/70/67/13/689706713.db2.gz NZIBOVAHYKPDAM-LFVRLGFBSA-N 0 1 357.838 2.224 20 10 FECDMN COc1cc(Br)cc(CN(C)[C@@H]2CCCCNC2=O)c1O ZINC000123843719 543786460 /nfs/dbraw/zinc/78/64/60/543786460.db2.gz AYLKIQXIGOZUQR-GFCCVEGCSA-N 0 1 357.248 2.264 20 10 FECDMN COC(=O)CC1([NH2+]Cc2cc(Br)ccc2[O-])CCOCC1 ZINC000152513419 544663833 /nfs/dbraw/zinc/66/38/33/544663833.db2.gz SMLSWQRQLABPPQ-UHFFFAOYSA-N 0 1 358.232 2.357 20 10 FECDMN CCc1nncn1CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805162323 674323937 /nfs/dbraw/zinc/32/39/37/674323937.db2.gz TZLVJHJUVCVCGR-UHFFFAOYSA-N 0 1 358.229 2.352 20 10 FECDMN Cc1nn(C)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000158089884 545820494 /nfs/dbraw/zinc/82/04/94/545820494.db2.gz UVXRICHFEUXYCN-HNNXBMFYSA-N 0 1 362.861 2.482 20 10 FECDMN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000162356994 546138701 /nfs/dbraw/zinc/13/87/01/546138701.db2.gz SEZPRFOQNJBSRA-UHFFFAOYSA-N 0 1 363.421 2.238 20 10 FECDMN O=C(CN1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1)N1CCCC1 ZINC000179676480 546996294 /nfs/dbraw/zinc/99/62/94/546996294.db2.gz ZKNCZVCVPZRNCP-UHFFFAOYSA-N 0 1 351.878 2.176 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)Cc3ccncc3)cc2F)CC1 ZINC000181989277 547418657 /nfs/dbraw/zinc/41/86/57/547418657.db2.gz XYCOYSLTXZBFCJ-UHFFFAOYSA-N 0 1 356.445 2.222 20 10 FECDMN C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000185179657 547946649 /nfs/dbraw/zinc/94/66/49/547946649.db2.gz QDHCMQUTZNHZHL-SSDOTTSWSA-N 0 1 355.154 2.484 20 10 FECDMN C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000185179635 547946905 /nfs/dbraw/zinc/94/69/05/547946905.db2.gz QDHCMQUTZNHZHL-ZETCQYMHSA-N 0 1 355.154 2.484 20 10 FECDMN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000262625273 549833355 /nfs/dbraw/zinc/83/33/55/549833355.db2.gz BEUCYHYRDUEKJH-KRWDZBQOSA-N 0 1 352.482 2.138 20 10 FECDMN CCN1CCN(c2ccc(CNc3cc(C)nc4ncnn43)cc2F)CC1 ZINC000264415050 549995908 /nfs/dbraw/zinc/99/59/08/549995908.db2.gz PKGLRIHXUUUUOS-UHFFFAOYSA-N 0 1 369.448 2.326 20 10 FECDMN C[NH+](C)C1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277298261 550653193 /nfs/dbraw/zinc/65/31/93/550653193.db2.gz BXQCNNOTKVJPMV-UHFFFAOYSA-N 0 1 356.264 2.438 20 10 FECDMN COCCO[C@H]1C[C@H](CO)CN(Cc2cc(Br)ccc2O)C1 ZINC000278766319 550819916 /nfs/dbraw/zinc/81/99/16/550819916.db2.gz UFSQSWCRMVYCLC-WFASDCNBSA-N 0 1 374.275 2.001 20 10 FECDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000285203807 551720013 /nfs/dbraw/zinc/72/00/13/551720013.db2.gz WNCWFEJKQLMEMJ-HNNXBMFYSA-N 0 1 363.332 2.337 20 10 FECDMN CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289383460 552312102 /nfs/dbraw/zinc/31/21/02/552312102.db2.gz MRXHUGQENLPCAU-ZDUSSCGKSA-N 0 1 367.402 2.410 20 10 FECDMN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289383460 552312104 /nfs/dbraw/zinc/31/21/04/552312104.db2.gz MRXHUGQENLPCAU-ZDUSSCGKSA-N 0 1 367.402 2.410 20 10 FECDMN Fc1cc(CNCc2cnn(CC(F)F)c2)ccc1N1CCOCC1 ZINC000292936105 552772658 /nfs/dbraw/zinc/77/26/58/552772658.db2.gz IGJRWNAUIRTAOU-UHFFFAOYSA-N 0 1 354.376 2.414 20 10 FECDMN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C2CC2)[nH]n1 ZINC000294957213 552947135 /nfs/dbraw/zinc/94/71/35/552947135.db2.gz MOZSUPQIUWILED-UHFFFAOYSA-N 0 1 363.801 2.462 20 10 FECDMN COc1ccc(-n2c(C)cc(C(=O)NCCN3CCC(O)CC3)c2C)cc1 ZINC000296918164 553229342 /nfs/dbraw/zinc/22/93/42/553229342.db2.gz LMYOFCHWNRYLSP-UHFFFAOYSA-N 0 1 371.481 2.289 20 10 FECDMN CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[O-] ZINC000364231775 555274908 /nfs/dbraw/zinc/27/49/08/555274908.db2.gz QPZQYPQSCSQJPZ-QGZVFWFLSA-N 0 1 365.905 2.460 20 10 FECDMN CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[O-] ZINC000364231775 555274910 /nfs/dbraw/zinc/27/49/10/555274910.db2.gz QPZQYPQSCSQJPZ-QGZVFWFLSA-N 0 1 365.905 2.460 20 10 FECDMN Cc1nnc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)o1 ZINC000365990891 555719848 /nfs/dbraw/zinc/71/98/48/555719848.db2.gz BRMFAIUDMRRNKA-CQSZACIVSA-N 0 1 364.833 2.060 20 10 FECDMN C[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1ccc2ccccc2c1[O-] ZINC000370372992 556853544 /nfs/dbraw/zinc/85/35/44/556853544.db2.gz ABFHKBZOJLQAQK-CYBMUJFWSA-N 0 1 352.442 2.389 20 10 FECDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000371222829 557111352 /nfs/dbraw/zinc/11/13/52/557111352.db2.gz JJHLKLPNPHACCK-CYBMUJFWSA-N 0 1 372.860 2.490 20 10 FECDMN COc1ccc(N2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)CC2)cc1F ZINC000371304391 557138361 /nfs/dbraw/zinc/13/83/61/557138361.db2.gz SUBJLIMVILHEIV-HNNXBMFYSA-N 0 1 358.417 2.326 20 10 FECDMN O=C(c1ccco1)N1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000371420925 557181254 /nfs/dbraw/zinc/18/12/54/557181254.db2.gz JANAOOPESVBSBG-UHFFFAOYSA-N 0 1 369.465 2.464 20 10 FECDMN COC(=O)C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000372088766 557377335 /nfs/dbraw/zinc/37/73/35/557377335.db2.gz PHLFOULYDQGDMT-AWEZNQCLSA-N 0 1 366.845 2.079 20 10 FECDMN O=C1NCCc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)cc3F)cc21 ZINC000377144264 558275806 /nfs/dbraw/zinc/27/58/06/558275806.db2.gz ZUIPYTIFBBDGHA-UHFFFAOYSA-N 0 1 370.789 2.271 20 10 FECDMN COCCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378446846 558559554 /nfs/dbraw/zinc/55/95/54/558559554.db2.gz DBOZORMGVSMHEK-MRXNPFEDSA-N 0 1 370.877 2.179 20 10 FECDMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)C1=CC(=O)CS1 ZINC000807688011 674424158 /nfs/dbraw/zinc/42/41/58/674424158.db2.gz WKTSBJHDSUYFCO-UHFFFAOYSA-N 0 1 359.495 2.344 20 10 FECDMN CCN(CC)c1ccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000809688898 674505314 /nfs/dbraw/zinc/50/53/14/674505314.db2.gz REOVWVFXXQPEJZ-GOSISDBHSA-N 0 1 353.532 2.389 20 10 FECDMN CC(C)S(=O)(=O)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809790491 674510128 /nfs/dbraw/zinc/51/01/28/674510128.db2.gz HRWGJLHPMIYDHH-UHFFFAOYSA-N 0 1 369.487 2.498 20 10 FECDMN CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000833442081 604949175 /nfs/dbraw/zinc/94/91/75/604949175.db2.gz MYWBLGDSFQPPTQ-UHFFFAOYSA-N 0 1 358.822 2.457 20 10 FECDMN COc1cc(Br)cc(CN(C)[C@@H](C)C[S@@](C)=O)c1O ZINC000131050135 672083819 /nfs/dbraw/zinc/08/38/19/672083819.db2.gz RJTDKETZMLPVER-UGZDLDLSSA-N 0 1 350.278 2.362 20 10 FECDMN COc1cc(Br)cc(CN2CCC[C@H](OCCO)C2)c1O ZINC000179571412 672403380 /nfs/dbraw/zinc/40/33/80/672403380.db2.gz ANHKZMQJRXCGAQ-ZDUSSCGKSA-N 0 1 360.248 2.137 20 10 FECDMN C[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCS1(=O)=O ZINC000708216923 673065258 /nfs/dbraw/zinc/06/52/58/673065258.db2.gz WAHZHUGCSGOZJM-QMMMGPOBSA-N 0 1 368.680 2.427 20 10 FECDMN O=S1(=O)CCN(c2ccc(CNCc3cc(F)ccc3F)cc2)CC1 ZINC000733330907 673410129 /nfs/dbraw/zinc/41/01/29/673410129.db2.gz SCYXZVNDHXPCCQ-UHFFFAOYSA-N 0 1 366.433 2.489 20 10 FECDMN CC1(O)CC(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000827096591 675728719 /nfs/dbraw/zinc/72/87/19/675728719.db2.gz XTDNJHUMVWHOJX-NSWWBONSSA-N 0 1 352.862 2.287 20 10 FECDMN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000827545280 675763980 /nfs/dbraw/zinc/76/39/80/675763980.db2.gz YUYKGTSGPUIEGG-CYBMUJFWSA-N 0 1 356.264 2.342 20 10 FECDMN Cc1cc(Br)c([O-])c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000827700216 675773577 /nfs/dbraw/zinc/77/35/77/675773577.db2.gz QBTGMSJZDNZVRG-OAHLLOKOSA-N 0 1 369.303 2.494 20 10 FECDMN Cc1cc(Br)c([O-])c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000827700216 675773579 /nfs/dbraw/zinc/77/35/79/675773579.db2.gz QBTGMSJZDNZVRG-OAHLLOKOSA-N 0 1 369.303 2.494 20 10 FECDMN CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000762001644 680737091 /nfs/dbraw/zinc/73/70/91/680737091.db2.gz VHLIVTDWNZIYMI-UHFFFAOYSA-N 0 1 362.407 2.475 20 10 FECDMN 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Cc1cc(N(C)C)ccc1CNCc1ccc(S(N)(=O)=O)cc1F ZINC000842681632 680959250 /nfs/dbraw/zinc/95/92/50/680959250.db2.gz PAZFKGQXVGJQBF-UHFFFAOYSA-N 0 1 351.447 2.137 20 10 FECDMN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000842785233 680966357 /nfs/dbraw/zinc/96/63/57/680966357.db2.gz FOQFFXVPCCFWID-OAHLLOKOSA-N 0 1 355.410 2.009 20 10 FECDMN Cc1nc(S(=O)(=O)NCc2ccccc2O)sc1Br ZINC000771756797 681068096 /nfs/dbraw/zinc/06/80/96/681068096.db2.gz BFPFXEHHDNFRNW-UHFFFAOYSA-N 0 1 363.258 2.398 20 10 FECDMN Cc1nonc1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000845833695 681155861 /nfs/dbraw/zinc/15/58/61/681155861.db2.gz MOKUWOKWIQBIBP-AWEZNQCLSA-N 0 1 364.833 2.060 20 10 FECDMN COc1c([O-])c(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)ccc1[N+](=O)[O-] ZINC000775100171 681274938 /nfs/dbraw/zinc/27/49/38/681274938.db2.gz BBAGNIRXAUPMDI-UHFFFAOYSA-N 0 1 372.424 2.064 20 10 FECDMN CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775649076 681321514 /nfs/dbraw/zinc/32/15/14/681321514.db2.gz 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FECDMN COC(=O)[C@](C)(Cn1cccn1)NCc1cccc(Br)c1O ZINC000898340761 690161728 /nfs/dbraw/zinc/16/17/28/690161728.db2.gz UAYKWHKAJCCWSZ-HNNXBMFYSA-N 0 1 368.231 2.073 20 10 FECDMN CCOC(=O)[C@@H]1CN(Cc2cc(Br)ccc2O)CC12COC2 ZINC000824489726 675606160 /nfs/dbraw/zinc/60/61/60/675606160.db2.gz QNUXMEKVTZPRGX-ZDUSSCGKSA-N 0 1 370.243 2.166 20 10 FECDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000132564173 544235789 /nfs/dbraw/zinc/23/57/89/544235789.db2.gz TWGQDOFNYMTFET-KRWDZBQOSA-N 0 1 354.454 2.325 20 10 FECDMN Cc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)n[nH]1 ZINC000806439070 674376688 /nfs/dbraw/zinc/37/66/88/674376688.db2.gz ZZFXZBOYKRJVSG-GFCCVEGCSA-N 0 1 360.487 2.227 20 10 FECDMN CCNS(=O)(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000181555996 547335154 /nfs/dbraw/zinc/33/51/54/547335154.db2.gz IQUXVJGJKOASCT-SFHVURJKSA-N 0 1 351.516 2.191 20 10 FECDMN CC[C@H]([NH2+][C@H](C)c1cc(Br)ccc1[O-])C(=O)N1CCOCC1 ZINC000185664670 548016937 /nfs/dbraw/zinc/01/69/37/548016937.db2.gz ZNGNNXQDXRYVHH-RISCZKNCSA-N 0 1 371.275 2.443 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000248569056 549459718 /nfs/dbraw/zinc/45/97/18/549459718.db2.gz RBURURBNDRLEOS-WDSOQIARSA-N 0 1 373.497 2.429 20 10 FECDMN C[C@@H](CN1CCN(C)CC1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264354269 549994382 /nfs/dbraw/zinc/99/43/82/549994382.db2.gz MWPBTCHSPNOPDG-KRWDZBQOSA-N 0 1 373.545 2.063 20 10 FECDMN CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000277431880 550669530 /nfs/dbraw/zinc/66/95/30/550669530.db2.gz VTPWGCRQHVHTSV-UHFFFAOYSA-N 0 1 358.360 2.344 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000278238643 550764120 /nfs/dbraw/zinc/76/41/20/550764120.db2.gz NOSZZTFHFJUVAC-CQSZACIVSA-N 0 1 363.414 2.047 20 10 FECDMN CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1 ZINC000289262661 552291060 /nfs/dbraw/zinc/29/10/60/552291060.db2.gz FUPORVHAPVNIQN-XLIONFOSSA-N 0 1 358.486 2.485 20 10 FECDMN C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000291455186 552626104 /nfs/dbraw/zinc/62/61/04/552626104.db2.gz CSSJPYKRPXKDAW-BXUZGUMPSA-N 0 1 355.822 2.249 20 10 FECDMN CCCS(=O)(=O)NC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293484737 552828525 /nfs/dbraw/zinc/82/85/25/552828525.db2.gz MOLVFRNCEZJZQA-UHFFFAOYSA-N 0 1 353.532 2.355 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000363099048 555030136 /nfs/dbraw/zinc/03/01/36/555030136.db2.gz KGBBKCUIZGPMJX-GOSISDBHSA-N 0 1 369.513 2.324 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000363099048 555030138 /nfs/dbraw/zinc/03/01/38/555030138.db2.gz KGBBKCUIZGPMJX-GOSISDBHSA-N 0 1 369.513 2.324 20 10 FECDMN C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Cl)ccc1[O-] ZINC000363862987 555201493 /nfs/dbraw/zinc/20/14/93/555201493.db2.gz ZWBPFGQWRGANOZ-WVQJBOLRSA-N 0 1 351.834 2.417 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000370082718 556776197 /nfs/dbraw/zinc/77/61/97/556776197.db2.gz OXBRZDUJZUQXKW-UHFFFAOYSA-N 0 1 358.398 2.416 20 10 FECDMN CCCn1nc2c(cc1=O)CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000371310873 557141822 /nfs/dbraw/zinc/14/18/22/557141822.db2.gz PLMWGWUECJVYGV-UHFFFAOYSA-N 0 1 368.481 2.048 20 10 FECDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(OCC3CC3)CC1)cc2=O ZINC000374090875 557822076 /nfs/dbraw/zinc/82/20/76/557822076.db2.gz BNFOLKNFYKPQDV-UHFFFAOYSA-N 0 1 374.441 2.003 20 10 FECDMN COc1cc(O)c(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000376941324 558242249 /nfs/dbraw/zinc/24/22/49/558242249.db2.gz NVASVDWQRSWCQX-ZDUSSCGKSA-N 0 1 362.386 2.351 20 10 FECDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000378574082 558586483 /nfs/dbraw/zinc/58/64/83/558586483.db2.gz VXQLGPQFRYHMOK-VXGBXAGGSA-N 0 1 365.231 2.425 20 10 FECDMN O=C(CCCN1C(=O)CCC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838591 674431239 /nfs/dbraw/zinc/43/12/39/674431239.db2.gz YMBMEYWSLWLWQD-UHFFFAOYSA-N 0 1 359.209 2.244 20 10 FECDMN 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20 10 FECDMN C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(Br)cc1[O-] ZINC000866571247 684121001 /nfs/dbraw/zinc/12/10/01/684121001.db2.gz BSMALGSDMHNITI-SECBINFHSA-N 0 1 365.293 2.120 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000925143015 684528367 /nfs/dbraw/zinc/52/83/67/684528367.db2.gz PGTRJIFZWFOFEI-ROUUACIJSA-N 0 1 362.543 2.474 20 10 FECDMN CC[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911369505 685204515 /nfs/dbraw/zinc/20/45/15/685204515.db2.gz TVXYTVYGIVZYTQ-ZIAGYGMSSA-N 0 1 354.834 2.237 20 10 FECDMN CC(=O)c1ncc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000881853278 687235137 /nfs/dbraw/zinc/23/51/37/687235137.db2.gz PDDYYPGJVJJBMB-UHFFFAOYSA-N 0 1 358.467 2.028 20 10 FECDMN [O-]c1c(Br)cc(Cl)cc1C[NH2+]Cc1nnnn1C1CC1 ZINC000883023243 687548214 /nfs/dbraw/zinc/54/82/14/687548214.db2.gz PVKNHSJOQRXBEQ-UHFFFAOYSA-N 0 1 358.627 2.419 20 10 FECDMN COC(=O)CC[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000883519428 687657260 /nfs/dbraw/zinc/65/72/60/687657260.db2.gz QZBBUDGETLWPKQ-UHFFFAOYSA-N 0 1 362.348 2.221 20 10 FECDMN O=C(NCc1cccc(Cl)c1[O-])NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000893739746 689397110 /nfs/dbraw/zinc/39/71/10/689397110.db2.gz CSCRDIGKZJLLKU-CVEARBPZSA-N 0 1 367.877 2.223 20 10 FECDMN COC(=O)C[C@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000894781883 689594742 /nfs/dbraw/zinc/59/47/42/689594742.db2.gz TXSJRCGMIGTUMX-NSHDSACASA-N 0 1 362.195 2.058 20 10 FECDMN O=[N+]([O-])c1cccnc1N1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000894962756 689630506 /nfs/dbraw/zinc/63/05/06/689630506.db2.gz KERCCNQNEHYPTC-UHFFFAOYSA-N 0 1 350.325 2.296 20 10 FECDMN C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(Br)cc1[O-] ZINC000903432768 690893500 /nfs/dbraw/zinc/89/35/00/690893500.db2.gz RDXWCDDRNVRRDI-JTQLQIEISA-N 0 1 368.231 2.158 20 10 FECDMN NC1(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000904449948 691029327 /nfs/dbraw/zinc/02/93/27/691029327.db2.gz NORFRNSLAJKYRY-UHFFFAOYSA-N 0 1 350.054 2.498 20 10 FECDMN CCN1CCN(c2ccc(CNc3ccc4nnc(C)n4n3)cc2F)CC1 ZINC000068702895 541621165 /nfs/dbraw/zinc/62/11/65/541621165.db2.gz UHKGEJJZZHIDFZ-UHFFFAOYSA-N 0 1 369.448 2.326 20 10 FECDMN C[C@H](Nc1cc(-n2cccn2)nc(N)n1)c1ccc(N2CCOCC2)cc1 ZINC000092892035 542894382 /nfs/dbraw/zinc/89/43/82/542894382.db2.gz PKBOMGCUQKFXKW-AWEZNQCLSA-N 0 1 365.441 2.254 20 10 FECDMN COc1cccc(CNC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1O ZINC000105651285 543179176 /nfs/dbraw/zinc/17/91/76/543179176.db2.gz UCBQAWRADLOANC-UHFFFAOYSA-N 0 1 369.465 2.078 20 10 FECDMN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(C)Cc1ccccc1O ZINC000111235251 543388509 /nfs/dbraw/zinc/38/85/09/543388509.db2.gz PBZQMDZZIPGZFQ-GDBMZVCRSA-N 0 1 356.422 2.169 20 10 FECDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CN(C)CCO1 ZINC000805221184 674326315 /nfs/dbraw/zinc/32/63/15/674326315.db2.gz GLFSVPRBDPDRSB-RNCFNFMXSA-N 0 1 362.257 2.217 20 10 FECDMN Cc1nc([C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)n[nH]1 ZINC000806439071 674376575 /nfs/dbraw/zinc/37/65/75/674376575.db2.gz ZZFXZBOYKRJVSG-LBPRGKRZSA-N 0 1 360.487 2.227 20 10 FECDMN O=C(NCCCCN1CCOCC1)NCc1c(O)ccc2c1CCCC2 ZINC000175523398 546312717 /nfs/dbraw/zinc/31/27/17/546312717.db2.gz FEPTUNHWFGHNQH-UHFFFAOYSA-N 0 1 361.486 2.183 20 10 FECDMN COc1ccc(N2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC2)cc1 ZINC000179972281 547034592 /nfs/dbraw/zinc/03/45/92/547034592.db2.gz ALIQUMOEXIQRID-UHFFFAOYSA-N 0 1 363.421 2.443 20 10 FECDMN CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000181554308 547333409 /nfs/dbraw/zinc/33/34/09/547333409.db2.gz TXDYTSYCXWEJOZ-LLVKDONJSA-N 0 1 353.271 2.213 20 10 FECDMN CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000181554308 547333414 /nfs/dbraw/zinc/33/34/14/547333414.db2.gz TXDYTSYCXWEJOZ-LLVKDONJSA-N 0 1 353.271 2.213 20 10 FECDMN COC(=O)c1cn(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)nn1 ZINC000184758431 547875827 /nfs/dbraw/zinc/87/58/27/547875827.db2.gz XFMGDRDCNDNRSP-UHFFFAOYSA-N 0 1 350.806 2.261 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccncn3)cc2F)CC1 ZINC000194153928 548441723 /nfs/dbraw/zinc/44/17/23/548441723.db2.gz VHSFFLQAAKDJMS-UHFFFAOYSA-N 0 1 358.421 2.079 20 10 FECDMN Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000264820729 550002244 /nfs/dbraw/zinc/00/22/44/550002244.db2.gz ZPLKRBJSPOSEPL-GOSISDBHSA-N 0 1 358.461 2.209 20 10 FECDMN Cc1cc(C(=O)NC[C@@H]2CN(C)CCN2C)c(C)n1-c1ccc(F)cc1 ZINC000264820729 550002246 /nfs/dbraw/zinc/00/22/46/550002246.db2.gz ZPLKRBJSPOSEPL-GOSISDBHSA-N 0 1 358.461 2.209 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CCCS3)CC2)cc1 ZINC000266612684 550022127 /nfs/dbraw/zinc/02/21/27/550022127.db2.gz RNXOCJHYONOWNX-SFHVURJKSA-N 0 1 363.527 2.219 20 10 FECDMN CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000269500713 550201986 /nfs/dbraw/zinc/20/19/86/550201986.db2.gz QQAAMBBOHJXUIU-JTQLQIEISA-N 0 1 367.298 2.460 20 10 FECDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc([S@@](C)=O)cc1 ZINC000273046791 550481951 /nfs/dbraw/zinc/48/19/51/550481951.db2.gz XTZZEWICHNAGRP-PVPMGCCUSA-N 0 1 373.522 2.457 20 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O=C([O-])NC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000834222049 605559862 /nfs/dbraw/zinc/55/98/62/605559862.db2.gz XMHRMNWMWLSENC-OAHLLOKOSA-N 0 1 351.422 2.284 20 10 FECDMN COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)nn1 ZINC000816570140 675065896 /nfs/dbraw/zinc/06/58/96/675065896.db2.gz KHANTBCVLKGSSS-LLVKDONJSA-N 0 1 368.796 2.400 20 10 FECDMN CCc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)nn1C ZINC000817390891 675128436 /nfs/dbraw/zinc/12/84/36/675128436.db2.gz VVYRHRWCTAXVLX-UHFFFAOYSA-N 0 1 371.224 2.250 20 10 FECDMN COc1cc(Br)cc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092100483 670734853 /nfs/dbraw/zinc/73/48/53/670734853.db2.gz XEUXKRWQPBPFJE-GFCCVEGCSA-N 0 1 371.275 2.464 20 10 FECDMN COc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1[O-] ZINC000092100483 670734859 /nfs/dbraw/zinc/73/48/59/670734859.db2.gz XEUXKRWQPBPFJE-GFCCVEGCSA-N 0 1 371.275 2.464 20 10 FECDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092217801 670736873 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CCN(Cc1cc(Br)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000715773002 673073676 /nfs/dbraw/zinc/07/36/76/673073676.db2.gz QYKGXRSDPXMPDC-LLVKDONJSA-N 0 1 366.252 2.303 20 10 FECDMN O=C1NCCN1[C@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000824601758 675613066 /nfs/dbraw/zinc/61/30/66/675613066.db2.gz NFNRAHLGRUXGOK-ZDUSSCGKSA-N 0 1 354.248 2.144 20 10 FECDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@@H]2CCC[C@H]21 ZINC000825203124 675641383 /nfs/dbraw/zinc/64/13/83/675641383.db2.gz XRJKRRPJMPVJPW-CHWSQXEVSA-N 0 1 360.273 2.306 20 10 FECDMN COC(=O)[C@]12C[N@H+](Cc3ccc(Br)cc3[O-])C[C@H]1COCC2 ZINC000825748753 675667144 /nfs/dbraw/zinc/66/71/44/675667144.db2.gz IGXKMPJTRDLLTO-BLLLJJGKSA-N 0 1 370.243 2.166 20 10 FECDMN COC(=O)[C@]12C[N@@H+](Cc3ccc(Br)cc3[O-])C[C@H]1COCC2 ZINC000825748753 675667147 /nfs/dbraw/zinc/66/71/47/675667147.db2.gz IGXKMPJTRDLLTO-BLLLJJGKSA-N 0 1 370.243 2.166 20 10 FECDMN COC(=O)CCCc1csc(NC(=O)c2c(F)ccc(O)c2O)n1 ZINC000826838211 675709580 /nfs/dbraw/zinc/70/95/80/675709580.db2.gz 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ICSXELORKNOOEL-UHFFFAOYSA-N 0 1 354.359 2.251 20 10 FECDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000791051134 682720594 /nfs/dbraw/zinc/72/05/94/682720594.db2.gz AHBCKQWWEPRYKC-UHFFFAOYSA-N 0 1 360.395 2.201 20 10 FECDMN CS(=O)(=O)NC[C@@H]1CCCCN1Cc1c(O)ccc(Cl)c1F ZINC000792162816 682792881 /nfs/dbraw/zinc/79/28/81/682792881.db2.gz PUMZUOPPKDMYMR-JTQLQIEISA-N 0 1 350.843 2.088 20 10 FECDMN COc1cc(Br)cc([C@@H](C)N[C@@H](CO)c2ccnn2C)c1O ZINC000858435616 682968167 /nfs/dbraw/zinc/96/81/67/682968167.db2.gz MWFZQQWKTHEWAV-SKDRFNHKSA-N 0 1 370.247 2.281 20 10 FECDMN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2)c1OC ZINC000795276605 683034554 /nfs/dbraw/zinc/03/45/54/683034554.db2.gz RFQGTAWYJLPSNJ-UHFFFAOYSA-N 0 1 370.814 2.215 20 10 FECDMN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(O)c(OC)c1 ZINC000797820217 683276324 /nfs/dbraw/zinc/27/63/24/683276324.db2.gz LWINOUCHBGKKNP-UHFFFAOYSA-N 0 1 351.380 2.297 20 10 FECDMN COC(=O)C[C@@]1([NH2+]Cc2c([O-])cccc2Br)CCCOC1 ZINC000862328453 683570109 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O=C(NC[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058320 680985048 /nfs/dbraw/zinc/98/50/48/680985048.db2.gz RQAVQZRAFVVKCN-DOMZBBRYSA-N 0 1 369.868 2.265 20 10 FECDMN COc1ccc(N(C)CCN(C)C(=O)CN(C)[C@@H]2CCSC2)cc1 ZINC000844855447 681088240 /nfs/dbraw/zinc/08/82/40/681088240.db2.gz WPXGYTQCLNHBMK-MRXNPFEDSA-N 0 1 351.516 2.027 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)COC(F)(F)F)cc2F)CC1 ZINC000932190477 681191710 /nfs/dbraw/zinc/19/17/10/681191710.db2.gz MSABEUKZTRIVOT-UHFFFAOYSA-N 0 1 363.355 2.120 20 10 FECDMN COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000775204516 681284921 /nfs/dbraw/zinc/28/49/21/681284921.db2.gz ORJWNAWUZBHYKA-GXTWGEPZSA-N 0 1 374.275 2.001 20 10 FECDMN C[C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000775260065 681290768 /nfs/dbraw/zinc/29/07/68/681290768.db2.gz MQVHGXLLRAHOQD-CYBMUJFWSA-N 0 1 359.392 2.242 20 10 FECDMN COc1cc(Br)cc(CNCc2ccnc(N(C)C)n2)c1O ZINC000776497484 681396346 /nfs/dbraw/zinc/39/63/46/681396346.db2.gz VFWYFCYCTSAFMS-UHFFFAOYSA-N 0 1 367.247 2.309 20 10 FECDMN O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1ccccc1O ZINC000849371598 681698300 /nfs/dbraw/zinc/69/83/00/681698300.db2.gz YRWRFVHGARRQGT-UHFFFAOYSA-N 0 1 364.492 2.424 20 10 FECDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000779460060 681718253 /nfs/dbraw/zinc/71/82/53/681718253.db2.gz JRMSHEFGVYTFKH-UHFFFAOYSA-N 0 1 366.351 2.196 20 10 FECDMN CS(=O)(=O)NC[C@H]1CCCCN1Cc1c(O)ccc(Cl)c1F ZINC000792162818 682792964 /nfs/dbraw/zinc/79/29/64/682792964.db2.gz PUMZUOPPKDMYMR-SNVBAGLBSA-N 0 1 350.843 2.088 20 10 FECDMN COc1ccc(CNC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)c(O)c1 ZINC000796352809 683155384 /nfs/dbraw/zinc/15/53/84/683155384.db2.gz MSBODASWACUCSN-UHFFFAOYSA-N 0 1 357.391 2.268 20 10 FECDMN C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccc(Br)cc1[O-] ZINC000927147526 683212137 /nfs/dbraw/zinc/21/21/37/683212137.db2.gz SNTOYHBLKLIDJR-ONGXEEELSA-N 0 1 351.248 2.491 20 10 FECDMN CCN(CC)c1ccc(CN2CCC[C@H](CS(=O)(=O)NC)C2)cc1F ZINC000862550967 683600492 /nfs/dbraw/zinc/60/04/92/683600492.db2.gz IGYCRVFCLKTLQR-INIZCTEOSA-N 0 1 371.522 2.433 20 10 FECDMN CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000865819418 684033325 /nfs/dbraw/zinc/03/33/25/684033325.db2.gz UCFAOFYAUXDCTP-UHFFFAOYSA-N 0 1 354.859 2.286 20 10 FECDMN C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(Br)cc1[O-] ZINC000866571248 684120920 /nfs/dbraw/zinc/12/09/20/684120920.db2.gz BSMALGSDMHNITI-VIFPVBQESA-N 0 1 365.293 2.120 20 10 FECDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932024182 684393099 /nfs/dbraw/zinc/39/30/99/684393099.db2.gz GIUBAKFZCDFPAH-ACJLOTCBSA-N 0 1 350.390 2.444 20 10 FECDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932024182 684393107 /nfs/dbraw/zinc/39/31/07/684393107.db2.gz GIUBAKFZCDFPAH-ACJLOTCBSA-N 0 1 350.390 2.444 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCN3CCSC[C@H]23)cc1 ZINC000925143017 684528168 /nfs/dbraw/zinc/52/81/68/684528168.db2.gz PGTRJIFZWFOFEI-ZWKOTPCHSA-N 0 1 362.543 2.474 20 10 FECDMN CC(C)(O)CN1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000877478433 686385975 /nfs/dbraw/zinc/38/59/75/686385975.db2.gz GKHGJAIMRXZKSE-UHFFFAOYSA-N 0 1 357.292 2.480 20 10 FECDMN CN1CCN(c2ccc(CNC(=O)Cc3ccc(Cl)cn3)cc2)CC1 ZINC000881853695 687235024 /nfs/dbraw/zinc/23/50/24/687235024.db2.gz GWGVWAZGTOKJAM-UHFFFAOYSA-N 0 1 358.873 2.346 20 10 FECDMN Cn1cc([C@@H]2C[S@](=O)CCN2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000895377781 689706352 /nfs/dbraw/zinc/70/63/52/689706352.db2.gz HBSOQOHYFIQLRO-ZAMGYDSWSA-N 0 1 357.838 2.224 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895837955 689778588 /nfs/dbraw/zinc/77/85/88/689778588.db2.gz YTOFQKHEDGIXTO-CYBMUJFWSA-N 0 1 350.293 2.056 20 10 FECDMN COc1c([O-])c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895837955 689778592 /nfs/dbraw/zinc/77/85/92/689778592.db2.gz YTOFQKHEDGIXTO-CYBMUJFWSA-N 0 1 350.293 2.056 20 10 FECDMN C[C@@H]1CC[N@H+](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000897454675 690025492 /nfs/dbraw/zinc/02/54/92/690025492.db2.gz IODZNBRRTCTUNN-LLVKDONJSA-N 0 1 356.264 2.296 20 10 FECDMN C[C@@H]1CC[N@@H+](CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000897454675 690025493 /nfs/dbraw/zinc/02/54/93/690025493.db2.gz IODZNBRRTCTUNN-LLVKDONJSA-N 0 1 356.264 2.296 20 10 FECDMN O=C1NCCN1CC1CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000897580341 690043327 /nfs/dbraw/zinc/04/33/27/690043327.db2.gz LRLPKTWFRAZVFO-UHFFFAOYSA-N 0 1 368.275 2.392 20 10 FECDMN O=C(NCc1cnc2n1CCOC2)NCc1cc(Cl)cc(Cl)c1O ZINC000898947971 690279011 /nfs/dbraw/zinc/27/90/11/690279011.db2.gz QDAXPIXPHVKWJL-UHFFFAOYSA-N 0 1 371.224 2.425 20 10 FECDMN O=C(Cc1cnc[nH]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900868503 690577148 /nfs/dbraw/zinc/57/71/48/690577148.db2.gz IOZJEMIGZAIHMR-GFCCVEGCSA-N 0 1 350.369 2.339 20 10 FECDMN O=C(CSc1c[nH]nn1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000020530830 539676070 /nfs/dbraw/zinc/67/60/70/539676070.db2.gz UPLPAGKSGIIFIT-UHFFFAOYSA-N 0 1 364.386 2.311 20 10 FECDMN CCOC(=O)C1CCN(C(=O)CN(C)Cc2cc(C)c(C)cc2O)CC1 ZINC000092964980 542898946 /nfs/dbraw/zinc/89/89/46/542898946.db2.gz VQSJLHYUKKMMLL-UHFFFAOYSA-N 0 1 362.470 2.243 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)CCCCOC)cc2F)CC1 ZINC000106702155 543243841 /nfs/dbraw/zinc/24/38/41/543243841.db2.gz LTHVILJHSKLDMA-UHFFFAOYSA-N 0 1 351.466 2.401 20 10 FECDMN COc1cc2c(cc1OC)CN(C(=O)CN(C)Cc1ccccc1O)CC2 ZINC000109773470 543338671 /nfs/dbraw/zinc/33/86/71/543338671.db2.gz NZPVPHFQWRPCBQ-UHFFFAOYSA-N 0 1 370.449 2.426 20 10 FECDMN CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000128827193 544075411 /nfs/dbraw/zinc/07/54/11/544075411.db2.gz QMXASHSOJQHLDV-CYBMUJFWSA-N 0 1 357.248 2.054 20 10 FECDMN O=C(NCc1nnc2n1CCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000804889346 674305301 /nfs/dbraw/zinc/30/53/01/674305301.db2.gz KYRSADOUXWZRAT-UHFFFAOYSA-N 0 1 356.213 2.236 20 10 FECDMN CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805189611 674325075 /nfs/dbraw/zinc/32/50/75/674325075.db2.gz YTCMTFHPDQSPFJ-MRVPVSSYSA-N 0 1 369.270 2.321 20 10 FECDMN C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000159004753 545913630 /nfs/dbraw/zinc/91/36/30/545913630.db2.gz VVHHGEYCBKSPJS-PXNSSMCTSA-N 0 1 369.513 2.491 20 10 FECDMN C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000185879904 548051011 /nfs/dbraw/zinc/05/10/11/548051011.db2.gz PCLDFQGVFNUTHJ-GFCCVEGCSA-N 0 1 356.854 2.069 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)[C@H](C)OC)cc2F)CC1 ZINC000188891584 548290377 /nfs/dbraw/zinc/29/03/77/548290377.db2.gz ULJNZUHTEFONKX-GJZGRUSLSA-N 0 1 366.481 2.190 20 10 FECDMN Cc1cc(C(=O)NC[C@H]2CN(C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC000264807574 550001464 /nfs/dbraw/zinc/00/14/64/550001464.db2.gz XNCFJDVXZCMGCE-IBGZPJMESA-N 0 1 354.498 2.378 20 10 FECDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CN(C)CCN1C ZINC000264806827 550001513 /nfs/dbraw/zinc/00/15/13/550001513.db2.gz VBTWYYLITPKBBH-FQEVSTJZSA-N 0 1 373.545 2.064 20 10 FECDMN Cc1cc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[nH]n1 ZINC000267954624 550036143 /nfs/dbraw/zinc/03/61/43/550036143.db2.gz NMDIWPQFJROGGU-KBPBESRZSA-N 0 1 360.433 2.330 20 10 FECDMN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269147510 550160643 /nfs/dbraw/zinc/16/06/43/550160643.db2.gz QCYRKHFFOUQJOL-UHFFFAOYSA-N 0 1 371.393 2.409 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)C[C@@](C)(O)C3CC3)cc2F)CC1 ZINC000270079735 550247749 /nfs/dbraw/zinc/24/77/49/550247749.db2.gz UYNLOCFSXKICQC-HXUWFJFHSA-N 0 1 363.477 2.135 20 10 FECDMN C[C@@H]1CN(c2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2F)C[C@@H](C)O1 ZINC000271680135 550394742 /nfs/dbraw/zinc/39/47/42/550394742.db2.gz IIRNBJGBCKPBLJ-FMKPAKJESA-N 0 1 370.490 2.106 20 10 FECDMN C[C@H]1CN(c2ccc(CNc3nc4[nH]ncc4c(=O)[nH]3)cc2F)C[C@H](C)O1 ZINC000274682991 550549022 /nfs/dbraw/zinc/54/90/22/550549022.db2.gz OHMFKHUWRBZMQM-QWRGUYRKSA-N 0 1 372.404 2.423 20 10 FECDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000276838226 550601999 /nfs/dbraw/zinc/60/19/99/550601999.db2.gz HWTDZPQJGYJABS-UHFFFAOYSA-N 0 1 351.380 2.363 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133788 550752832 /nfs/dbraw/zinc/75/28/32/550752832.db2.gz CPNMZIZBOLWZHY-HZMBPMFUSA-N 0 1 364.320 2.444 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133788 550752833 /nfs/dbraw/zinc/75/28/33/550752833.db2.gz CPNMZIZBOLWZHY-HZMBPMFUSA-N 0 1 364.320 2.444 20 10 FECDMN COc1c([O-])c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278870701 550831132 /nfs/dbraw/zinc/83/11/32/550831132.db2.gz MVRXYQLCZDQGBT-HNNXBMFYSA-N 0 1 371.393 2.200 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273718 552293724 /nfs/dbraw/zinc/29/37/24/552293724.db2.gz GNKWEHWKYXXUKY-GHMZBOCLSA-N 0 1 364.320 2.302 20 10 FECDMN COc1c([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273718 552293726 /nfs/dbraw/zinc/29/37/26/552293726.db2.gz GNKWEHWKYXXUKY-GHMZBOCLSA-N 0 1 364.320 2.302 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)CCc3cncnc3)cc2F)CC1 ZINC000291992862 552682483 /nfs/dbraw/zinc/68/24/83/552682483.db2.gz APKUDKMVEHFPMM-UHFFFAOYSA-N 0 1 371.460 2.007 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCOC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000365829213 555677491 /nfs/dbraw/zinc/67/74/91/555677491.db2.gz WZTGTLBEVDQHKQ-UHFFFAOYSA-N 0 1 352.387 2.081 20 10 FECDMN Cc1cccc(CN2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1O ZINC000367817671 556146955 /nfs/dbraw/zinc/14/69/55/556146955.db2.gz FEFBCCJPKSVCMR-QGZVFWFLSA-N 0 1 351.406 2.354 20 10 FECDMN COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000372030840 557362003 /nfs/dbraw/zinc/36/20/03/557362003.db2.gz KGDGXDFOMFLHIU-ZDUSSCGKSA-N 0 1 350.806 2.261 20 10 FECDMN COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000372030840 557362006 /nfs/dbraw/zinc/36/20/06/557362006.db2.gz KGDGXDFOMFLHIU-ZDUSSCGKSA-N 0 1 350.806 2.261 20 10 FECDMN O=C(C[N@H+]1C[C@H]2CCCC[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000377767514 558416191 /nfs/dbraw/zinc/41/61/91/558416191.db2.gz NNBRMLSEPYAZCY-SJLPKXTDSA-N 0 1 361.461 2.153 20 10 FECDMN O=C(CN1C[C@H]2CCCC[C@H]21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000377767514 558416192 /nfs/dbraw/zinc/41/61/92/558416192.db2.gz NNBRMLSEPYAZCY-SJLPKXTDSA-N 0 1 361.461 2.153 20 10 FECDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C(C)(C)C(N)=O)C1 ZINC000452628768 560369547 /nfs/dbraw/zinc/36/95/47/560369547.db2.gz SXUNLGDSEFVNAN-UHFFFAOYSA-N 0 1 370.497 2.130 20 10 FECDMN C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cc(Cl)ccc1[O-] ZINC000527957093 562309660 /nfs/dbraw/zinc/30/96/60/562309660.db2.gz RSLSQSJXQFIKNJ-UGSOOPFHSA-N 0 1 354.878 2.312 20 10 FECDMN CC(=O)NCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H](C)C(=O)[O-] ZINC000819770494 597704009 /nfs/dbraw/zinc/70/40/09/597704009.db2.gz WBCAQPTTYUTBAI-AWEZNQCLSA-N 0 1 356.422 2.470 20 10 FECDMN Cn1nnc2c1nccc2C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807839009 674431393 /nfs/dbraw/zinc/43/13/93/674431393.db2.gz FNRUGVPZOWDUOH-UHFFFAOYSA-N 0 1 352.181 2.306 20 10 FECDMN 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CC(C)OCC[NH+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827031044 600985914 /nfs/dbraw/zinc/98/59/14/600985914.db2.gz QUNTUKICDNKBLW-XQRVVYSFSA-N 0 1 363.414 2.240 20 10 FECDMN COCCc1noc(C[N@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000831795851 602089951 /nfs/dbraw/zinc/08/99/51/602089951.db2.gz OKTZPVPWXHEGEU-UHFFFAOYSA-N 0 1 371.393 2.448 20 10 FECDMN COCCc1noc(C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000831795851 602089955 /nfs/dbraw/zinc/08/99/55/602089955.db2.gz OKTZPVPWXHEGEU-UHFFFAOYSA-N 0 1 371.393 2.448 20 10 FECDMN c1nc(C2OCCO2)sc1CNCc1ccc(N2CCOCC2)cc1 ZINC000809607836 674500638 /nfs/dbraw/zinc/50/06/38/674500638.db2.gz CVBJCNAZQQHFSP-UHFFFAOYSA-N 0 1 361.467 2.315 20 10 FECDMN CN1CCN(CCC[N@H+](C)Cc2cccc(Br)c2[O-])CC1 ZINC000809742736 674508371 /nfs/dbraw/zinc/50/83/71/674508371.db2.gz IARPHOIOCLYONG-UHFFFAOYSA-N 0 1 356.308 2.224 20 10 FECDMN CN1CCN(CCC[N@@H+](C)Cc2cccc(Br)c2[O-])CC1 ZINC000809742736 674508372 /nfs/dbraw/zinc/50/83/72/674508372.db2.gz 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[O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000816641715 675069986 /nfs/dbraw/zinc/06/99/86/675069986.db2.gz CVGWQCMWQQBAQJ-CYBMUJFWSA-N 0 1 367.247 2.076 20 10 FECDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093017358 670747712 /nfs/dbraw/zinc/74/77/12/670747712.db2.gz JICTWOUJZCYSAU-CYBMUJFWSA-N 0 1 369.849 2.498 20 10 FECDMN O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000171842012 672336585 /nfs/dbraw/zinc/33/65/85/672336585.db2.gz FCHVTTFDRGZIJO-UHFFFAOYSA-N 0 1 368.833 2.400 20 10 FECDMN CC(C)CN1CCO[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000177732429 672385969 /nfs/dbraw/zinc/38/59/69/672385969.db2.gz XUGJTYRBUCQUIE-CQSZACIVSA-N 0 1 372.560 2.281 20 10 FECDMN O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc(-n2cnnn2)cc1 ZINC000727251586 673162785 /nfs/dbraw/zinc/16/27/85/673162785.db2.gz YPROLMQNXYLNOR-UHFFFAOYSA-N 0 1 374.407 2.180 20 10 FECDMN CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000827545038 675763900 /nfs/dbraw/zinc/76/39/00/675763900.db2.gz 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CCCNC(=O)CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000443917827 560096062 /nfs/dbraw/zinc/09/60/62/560096062.db2.gz DXVUVOCTFQTNPH-UHFFFAOYSA-N 0 1 370.497 2.050 20 10 FECDMN COC[C@H](CNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)OC ZINC000444363817 560111826 /nfs/dbraw/zinc/11/18/26/560111826.db2.gz KLESIRLUHAXKCW-INIZCTEOSA-N 0 1 373.497 2.185 20 10 FECDMN COc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ccn1 ZINC000807512018 674418336 /nfs/dbraw/zinc/41/83/36/674418336.db2.gz IEBMISYYPHQBPD-UHFFFAOYSA-N 0 1 370.192 2.358 20 10 FECDMN C[C@]1(CCCC(=O)NCc2cc(Cl)cc(Cl)c2O)NC(=O)NC1=O ZINC000807837942 674431243 /nfs/dbraw/zinc/43/12/43/674431243.db2.gz HKGKNLRIFNFXKP-OAHLLOKOSA-N 0 1 374.224 2.084 20 10 FECDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836156 674431298 /nfs/dbraw/zinc/43/12/98/674431298.db2.gz PNZVDUWUOMIVIY-UHFFFAOYSA-N 0 1 372.164 2.085 20 10 FECDMN C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2[O-])NC(=O)NC1=O ZINC000809705308 674506196 /nfs/dbraw/zinc/50/61/96/674506196.db2.gz 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O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1[O-] ZINC000824653666 675615106 /nfs/dbraw/zinc/61/51/06/675615106.db2.gz FCWDROYRWWKGGJ-GDLCADMTSA-N 0 1 356.806 2.316 20 10 FECDMN CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000825278764 675644706 /nfs/dbraw/zinc/64/47/06/675644706.db2.gz IFODVVFGQHOGHK-LBPRGKRZSA-N 0 1 356.264 2.390 20 10 FECDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000825883619 675672750 /nfs/dbraw/zinc/67/27/50/675672750.db2.gz YXCHMPPLPUEBGV-ZDUSSCGKSA-N 0 1 360.907 2.457 20 10 FECDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000825883619 675672751 /nfs/dbraw/zinc/67/27/51/675672751.db2.gz YXCHMPPLPUEBGV-ZDUSSCGKSA-N 0 1 360.907 2.457 20 10 FECDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CCC1 ZINC000827311290 675747209 /nfs/dbraw/zinc/74/72/09/675747209.db2.gz XYJOOEGVKZQGKJ-RDJZCZTQSA-N 0 1 352.862 2.287 20 10 FECDMN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000840167663 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CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(Br)ccc1[O-] ZINC000155108606 544990781 /nfs/dbraw/zinc/99/07/81/544990781.db2.gz WTCXVGGYYTWNEK-ZDUSSCGKSA-N 0 1 371.275 2.478 20 10 FECDMN COCC[N@@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805073663 674317156 /nfs/dbraw/zinc/31/71/56/674317156.db2.gz SLWFWHDKRIOKLQ-UHFFFAOYSA-N 0 1 350.246 2.076 20 10 FECDMN Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1cccc2nonc21 ZINC000161691329 546132637 /nfs/dbraw/zinc/13/26/37/546132637.db2.gz OELSNQDOXYTABX-UHFFFAOYSA-N 0 1 374.422 2.169 20 10 FECDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000177296948 546589620 /nfs/dbraw/zinc/58/96/20/546589620.db2.gz QRJITJXDNYFONP-CQSZACIVSA-N 0 1 352.862 2.402 20 10 FECDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000177296948 546589625 /nfs/dbraw/zinc/58/96/25/546589625.db2.gz QRJITJXDNYFONP-CQSZACIVSA-N 0 1 352.862 2.402 20 10 FECDMN CN1CCN(Cc2cccc(NC(=O)/C=C/c3ccc(O)c(O)c3)c2)CC1 ZINC000180704582 547161754 /nfs/dbraw/zinc/16/17/54/547161754.db2.gz HHYCYRXYEJSWHD-SOFGYWHQSA-N 0 1 367.449 2.497 20 10 FECDMN O=C(CCCCc1cn[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000184886933 547893939 /nfs/dbraw/zinc/89/39/39/547893939.db2.gz DSMDQPKMCXNPBP-QGZVFWFLSA-N 0 1 358.442 2.431 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)CC(C)(F)F)CC2)cc1 ZINC000277243077 550647286 /nfs/dbraw/zinc/64/72/86/550647286.db2.gz ORHZNWXZIRMOKS-UHFFFAOYSA-N 0 1 355.429 2.369 20 10 FECDMN COc1c([O-])c(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209962 550761204 /nfs/dbraw/zinc/76/12/04/550761204.db2.gz KEGLRJPNAXPUFA-JSGCOSHPSA-N 0 1 372.443 2.097 20 10 FECDMN COc1c([O-])c(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209962 550761205 /nfs/dbraw/zinc/76/12/05/550761205.db2.gz KEGLRJPNAXPUFA-JSGCOSHPSA-N 0 1 372.443 2.097 20 10 FECDMN CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000282361219 551217033 /nfs/dbraw/zinc/21/70/33/551217033.db2.gz DIRPBTJTHZEIRU-INIZCTEOSA-N 0 1 361.486 2.074 20 10 FECDMN Cc1ccc(O)c(CNc2cccc(S(=O)(=O)NCCN(C)C)c2)c1 ZINC000285442072 551757433 /nfs/dbraw/zinc/75/74/33/551757433.db2.gz FSSBBBLPJRVENB-UHFFFAOYSA-N 0 1 363.483 2.153 20 10 FECDMN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000288960803 552243921 /nfs/dbraw/zinc/24/39/21/552243921.db2.gz HEXNYJWKZFYQIG-CRAIPNDOSA-N 0 1 373.497 2.120 20 10 FECDMN COc1c([O-])c(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000292861179 552765797 /nfs/dbraw/zinc/76/57/97/552765797.db2.gz VISBWFYBCACFRZ-UHFFFAOYSA-N 0 1 373.413 2.297 20 10 FECDMN Cc1nccc(CN2CCC[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000363971224 555224313 /nfs/dbraw/zinc/22/43/13/555224313.db2.gz HKQZGJZIVVEUIQ-INIZCTEOSA-N 0 1 360.845 2.425 20 10 FECDMN COCCN(CCN1C[C@H]2CC[C@@H](C1)O2)c1ccc(OC)c(OC)c1 ZINC000367582394 556089281 /nfs/dbraw/zinc/08/92/81/556089281.db2.gz KKZCKKNXLLXXOX-CALCHBBNSA-N 0 1 350.459 2.020 20 10 FECDMN Cc1cc(Br)cc(CN2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000367741701 556127537 /nfs/dbraw/zinc/12/75/37/556127537.db2.gz UYNJIVYOQCVBHP-CQSZACIVSA-N 0 1 368.275 2.453 20 10 FECDMN CN(C)c1ccc(CNC(=O)CN2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000368629810 556368824 /nfs/dbraw/zinc/36/88/24/556368824.db2.gz BJEDXDCGLHAXIS-LJQANCHMSA-N 0 1 352.482 2.328 20 10 FECDMN CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2c([O-])ccc3ccccc32)C1=O ZINC000371083925 557069960 /nfs/dbraw/zinc/06/99/60/557069960.db2.gz FEGKHRUFGMPULD-VBKZILBWSA-N 0 1 353.422 2.356 20 10 FECDMN COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000373912487 557785702 /nfs/dbraw/zinc/78/57/02/557785702.db2.gz VKBGVVFTOUFJBV-PXAZEXFGSA-N 0 1 350.371 2.084 20 10 FECDMN CCNC(=O)[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435621184 559926543 /nfs/dbraw/zinc/92/65/43/559926543.db2.gz JOHLWISIWBDUEN-OAHLLOKOSA-N 0 1 370.497 2.049 20 10 FECDMN COCCn1c(C)c(C)c2cc(C(=O)N3CCc4[nH]nnc4C3)ccc21 ZINC000461545450 560775135 /nfs/dbraw/zinc/77/51/35/560775135.db2.gz STOQRVUEAQXMPO-UHFFFAOYSA-N 0 1 353.426 2.221 20 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/nfs/dbraw/zinc/69/70/89/604697089.db2.gz CAGGMLIOLAUGJG-UHFFFAOYSA-N 0 1 351.424 2.110 20 10 FECDMN CCS(=O)(=O)CC[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833665034 604697091 /nfs/dbraw/zinc/69/70/91/604697091.db2.gz CAGGMLIOLAUGJG-UHFFFAOYSA-N 0 1 351.424 2.110 20 10 FECDMN Cc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000833742577 605259132 /nfs/dbraw/zinc/25/91/32/605259132.db2.gz PPSVXBQKWGXSIY-HNNXBMFYSA-N 0 1 370.453 2.110 20 10 FECDMN C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)NC(=O)[O-] ZINC000824622153 605520404 /nfs/dbraw/zinc/52/04/04/605520404.db2.gz KOCKZDHMCLSPJZ-SMDDNHRTSA-N 0 1 369.849 2.172 20 10 FECDMN O=C([O-])NCCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000832608661 605522596 /nfs/dbraw/zinc/52/25/96/605522596.db2.gz LTKAVTQQJWFGHM-AWEZNQCLSA-N 0 1 369.849 2.174 20 10 FECDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000833812609 605992748 /nfs/dbraw/zinc/99/27/48/605992748.db2.gz KPUJHAOMCIYRGZ-SJLPKXTDSA-N 0 1 360.502 2.307 20 10 FECDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000833812609 605992751 /nfs/dbraw/zinc/99/27/51/605992751.db2.gz KPUJHAOMCIYRGZ-SJLPKXTDSA-N 0 1 360.502 2.307 20 10 FECDMN CCCNC(=O)CN(CCC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092192339 670735700 /nfs/dbraw/zinc/73/57/00/670735700.db2.gz AEKBVOABZNFEAX-UHFFFAOYSA-N 0 1 351.466 2.401 20 10 FECDMN COc1cc(Br)cc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000131049749 672083207 /nfs/dbraw/zinc/08/32/07/672083207.db2.gz RJTDKETZMLPVER-ZRNGKTOUSA-N 0 1 350.278 2.362 20 10 FECDMN CN1CCOc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc21 ZINC000192833407 672703167 /nfs/dbraw/zinc/70/31/67/672703167.db2.gz VPXURORMQMYKAS-UHFFFAOYSA-N 0 1 362.436 2.321 20 10 FECDMN CS(=O)(=O)CC1(C[NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000826123358 675682816 /nfs/dbraw/zinc/68/28/16/675682816.db2.gz LJADZGBJFHHKRD-UHFFFAOYSA-N 0 1 362.289 2.459 20 10 FECDMN CS(=O)(=O)[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1C(F)(F)F ZINC000826894745 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FECDMN COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769469933 680984012 /nfs/dbraw/zinc/98/40/12/680984012.db2.gz HUCIXDQRJALPAS-NSHDSACASA-N 0 1 360.819 2.434 20 10 FECDMN N[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000844171787 681042988 /nfs/dbraw/zinc/04/29/88/681042988.db2.gz WUEJAIRVCXFPRW-SFHVURJKSA-N 0 1 359.857 2.493 20 10 FECDMN CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846035529 681176111 /nfs/dbraw/zinc/17/61/11/681176111.db2.gz VIOGCQCEBDRMNP-AAEUAGOBSA-N 0 1 366.405 2.486 20 10 FECDMN CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846255424 681212514 /nfs/dbraw/zinc/21/25/14/681212514.db2.gz FUDRXNYSRXEOPC-VXGBXAGGSA-N 0 1 350.444 2.239 20 10 FECDMN C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000847411373 681375267 /nfs/dbraw/zinc/37/52/67/681375267.db2.gz GMWCEJRVDPCKSF-KLPPZKSPSA-N 0 1 356.264 2.294 20 10 FECDMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000776748174 681433147 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CCNc1ncc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000881851142 687234502 /nfs/dbraw/zinc/23/45/02/687234502.db2.gz OMNBFAUZXRXESG-UHFFFAOYSA-N 0 1 359.499 2.257 20 10 FECDMN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C)CCN(C)CC1 ZINC000888994149 688717399 /nfs/dbraw/zinc/71/73/99/688717399.db2.gz WLQDLFXZZYUITF-UHFFFAOYSA-N 0 1 360.527 2.475 20 10 FECDMN C[C@@H]1CN(CCCNC(=O)NCc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC000891728281 689098056 /nfs/dbraw/zinc/09/80/56/689098056.db2.gz MJYBOWDEXKQAHU-CHWSQXEVSA-N 0 1 355.866 2.344 20 10 FECDMN CCNC(=O)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893912897 689427828 /nfs/dbraw/zinc/42/78/28/689427828.db2.gz LWEWDYCALJZNDX-UHFFFAOYSA-N 0 1 360.227 2.141 20 10 FECDMN C[C@H]1CN(Cc2cc(Br)cc(F)c2O)CC[S@@](=O)C1 ZINC000894567620 689556309 /nfs/dbraw/zinc/55/63/09/689556309.db2.gz WSVZYWOVKVPVEK-ZRNGKTOUSA-N 0 1 350.253 2.494 20 10 FECDMN CS(=O)(=O)C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C1 ZINC000894845110 689607018 /nfs/dbraw/zinc/60/70/18/689607018.db2.gz YTPANUSOTNXNKM-VIFPVBQESA-N 0 1 366.252 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O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092071652 542844167 /nfs/dbraw/zinc/84/41/67/542844167.db2.gz MDOPKHDEZGVBKT-GFCCVEGCSA-N 0 1 365.282 2.355 20 10 FECDMN C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093420498 542931522 /nfs/dbraw/zinc/93/15/22/542931522.db2.gz GBYBDVBLHSFPSU-RKDXNWHRSA-N 0 1 350.824 2.207 20 10 FECDMN C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093420498 542931525 /nfs/dbraw/zinc/93/15/25/542931525.db2.gz GBYBDVBLHSFPSU-RKDXNWHRSA-N 0 1 350.824 2.207 20 10 FECDMN CCC[N@@H+](Cc1cc(C)cc(Br)c1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000802656216 674190436 /nfs/dbraw/zinc/19/04/36/674190436.db2.gz MACABHREEWUVSL-CYBMUJFWSA-N 0 1 369.259 2.432 20 10 FECDMN C[C@H](CCS(C)(=O)=O)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805210842 674325898 /nfs/dbraw/zinc/32/58/98/674325898.db2.gz XPBSSMHOYNEKJU-MRVPVSSYSA-N 0 1 369.270 2.321 20 10 FECDMN CS(=O)(=O)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805409355 674335551 /nfs/dbraw/zinc/33/55/51/674335551.db2.gz BSMUNPKJBHQLDF-UHFFFAOYSA-N 0 1 367.254 2.075 20 10 FECDMN C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(Br)cc1[O-] ZINC000185002994 547915696 /nfs/dbraw/zinc/91/56/96/547915696.db2.gz BCRWYYBRFIWHSA-SNVBAGLBSA-N 0 1 357.248 2.087 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCSC3)cc2F)CC1 ZINC000266472221 550021169 /nfs/dbraw/zinc/02/11/69/550021169.db2.gz AVPIXFKMHPPIII-HNNXBMFYSA-N 0 1 366.506 2.272 20 10 FECDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000267467563 550032110 /nfs/dbraw/zinc/03/21/10/550032110.db2.gz WUAQWXKCCOGWKP-QGZVFWFLSA-N 0 1 355.486 2.314 20 10 FECDMN C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398509 550496939 /nfs/dbraw/zinc/49/69/39/550496939.db2.gz MQMHRGVANDITKC-CQSZACIVSA-N 0 1 371.441 2.298 20 10 FECDMN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000273417888 550497952 /nfs/dbraw/zinc/49/79/52/550497952.db2.gz REIFOMDQNDTQEV-CRAIPNDOSA-N 0 1 363.502 2.101 20 10 FECDMN CC[NH+]1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277481262 550675910 /nfs/dbraw/zinc/67/59/10/550675910.db2.gz PRMBUZFMHJIGQK-UHFFFAOYSA-N 0 1 356.264 2.438 20 10 FECDMN O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)N1 ZINC000279402849 550885983 /nfs/dbraw/zinc/88/59/83/550885983.db2.gz LEDRAZPXNAFORD-FQEVSTJZSA-N 0 1 351.406 2.233 20 10 FECDMN CCCOc1ccc(CN2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC000284491208 551561232 /nfs/dbraw/zinc/56/12/32/551561232.db2.gz GHRIHBXUSQFYBP-ROUUACIJSA-N 0 1 362.470 2.393 20 10 FECDMN COc1c([O-])c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291296369 552611834 /nfs/dbraw/zinc/61/18/34/552611834.db2.gz QAVTZSUDXXMZKJ-LJQANCHMSA-N 0 1 358.394 2.445 20 10 FECDMN C[C@H]1[C@@H](NCc2ccc(N(C)C)cc2C(F)(F)F)CCS1(=O)=O ZINC000293806583 552858015 /nfs/dbraw/zinc/85/80/15/552858015.db2.gz DSBVGDLRISHKGR-HZMBPMFUSA-N 0 1 350.406 2.437 20 10 FECDMN COC1CCN(c2ccc(CN3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000295572061 553027426 /nfs/dbraw/zinc/02/74/26/553027426.db2.gz RHDFSVOQFRZGDB-UHFFFAOYSA-N 0 1 367.497 2.414 20 10 FECDMN COc1ccc([C@@H](CCO)NCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000299732879 553609276 /nfs/dbraw/zinc/60/92/76/553609276.db2.gz YARYDIYCQQAOTC-HXUWFJFHSA-N 0 1 371.481 2.091 20 10 FECDMN COc1c([O-])c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000376468923 558177295 /nfs/dbraw/zinc/17/72/95/558177295.db2.gz NSCIMVLQYPSCRM-IBGZPJMESA-N 0 1 369.377 2.405 20 10 FECDMN Cc1cc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c(C)n1-c1cccc(C)c1 ZINC000377595091 558373109 /nfs/dbraw/zinc/37/31/09/558373109.db2.gz KNQWPAKGNPHWLP-KRWDZBQOSA-N 0 1 366.425 2.129 20 10 FECDMN CCc1nn(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807510968 674418053 /nfs/dbraw/zinc/41/80/53/674418053.db2.gz AWSQHENFGYYYJQ-UHFFFAOYSA-N 0 1 371.224 2.250 20 10 FECDMN CCNS(=O)(=O)CC[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226348 674537600 /nfs/dbraw/zinc/53/76/00/674537600.db2.gz XIHPHTWGUZDOPJ-LBPRGKRZSA-N 0 1 354.394 2.391 20 10 FECDMN Cn1cccc1C(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816483343 675058653 /nfs/dbraw/zinc/05/86/53/675058653.db2.gz OYRJNBCYSRRBNA-UHFFFAOYSA-N 0 1 351.809 2.481 20 10 FECDMN COCc1nc([C@H]2COCCN2Cc2cc(Cl)c(F)cc2O)no1 ZINC000816565383 675065363 /nfs/dbraw/zinc/06/53/63/675065363.db2.gz NFTTZKWHJUXOOV-GFCCVEGCSA-N 0 1 357.769 2.288 20 10 FECDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000041374390 670145248 /nfs/dbraw/zinc/14/52/48/670145248.db2.gz ZCTXHDBUXRVBDD-UHFFFAOYSA-N 0 1 363.395 2.232 20 10 FECDMN COc1ccc(N2CCN(C(=O)CN3CCSC(C)(C)C3)CC2)cc1 ZINC000083415455 670657609 /nfs/dbraw/zinc/65/76/09/670657609.db2.gz WYGWBVVRJWMVFD-UHFFFAOYSA-N 0 1 363.527 2.171 20 10 FECDMN CS(=O)(=O)N[C@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000116869267 670908643 /nfs/dbraw/zinc/90/86/43/670908643.db2.gz BRFLNIQCQAAHLD-LBPRGKRZSA-N 0 1 364.467 2.141 20 10 FECDMN CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000116869267 670908646 /nfs/dbraw/zinc/90/86/46/670908646.db2.gz BRFLNIQCQAAHLD-LBPRGKRZSA-N 0 1 364.467 2.141 20 10 FECDMN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCOCC2)cc1Cl ZINC000134065672 672119044 /nfs/dbraw/zinc/11/90/44/672119044.db2.gz NGHUKCUSPGVLET-GUYCJALGSA-N 0 1 351.878 2.496 20 10 FECDMN COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134267417 672121577 /nfs/dbraw/zinc/12/15/77/672121577.db2.gz FERGQRHNZXLYAT-IUODEOHRSA-N 0 1 368.861 2.325 20 10 FECDMN CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000154054596 672209924 /nfs/dbraw/zinc/20/99/24/672209924.db2.gz ZOGRMNHQIKMFQE-QGZVFWFLSA-N 0 1 351.516 2.191 20 10 FECDMN COc1ccc(N2CCN(C(=O)CN3CCS[C@@H](C)CC3)CC2)cc1 ZINC000192179165 672684342 /nfs/dbraw/zinc/68/43/42/672684342.db2.gz ACAIRQJIFMTYDR-INIZCTEOSA-N 0 1 363.527 2.171 20 10 FECDMN NC(=O)C1CCN(Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000731871582 673345852 /nfs/dbraw/zinc/34/58/52/673345852.db2.gz JEOLVNJXRZSBQZ-UHFFFAOYSA-N 0 1 359.451 2.403 20 10 FECDMN CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000735073298 673480735 /nfs/dbraw/zinc/48/07/35/673480735.db2.gz MJQGXBHECDEKCD-CYBMUJFWSA-N 0 1 360.435 2.415 20 10 FECDMN CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000735073298 673480739 /nfs/dbraw/zinc/48/07/39/673480739.db2.gz MJQGXBHECDEKCD-CYBMUJFWSA-N 0 1 360.435 2.415 20 10 FECDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@@H]2CCC[C@@H]21 ZINC000825203128 675641423 /nfs/dbraw/zinc/64/14/23/675641423.db2.gz XRJKRRPJMPVJPW-OLZOCXBDSA-N 0 1 360.273 2.306 20 10 FECDMN Cc1cc([O-])c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000825422718 675652509 /nfs/dbraw/zinc/65/25/09/675652509.db2.gz RGTZKZFQQASNMA-UHFFFAOYSA-N 0 1 354.859 2.334 20 10 FECDMN COC(=O)C[C@]1([NH2+]Cc2ccc(Br)cc2[O-])CCCOC1 ZINC000825535968 675658029 /nfs/dbraw/zinc/65/80/29/675658029.db2.gz CZCMYTFXVKLTAR-OAHLLOKOSA-N 0 1 358.232 2.357 20 10 FECDMN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825556137 675658657 /nfs/dbraw/zinc/65/86/57/675658657.db2.gz OBAFXVLUWFSUCF-UKRRQHHQSA-N 0 1 360.248 2.065 20 10 FECDMN Cc1cc(Br)c([O-])c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000827700215 675773511 /nfs/dbraw/zinc/77/35/11/675773511.db2.gz QBTGMSJZDNZVRG-HNNXBMFYSA-N 0 1 369.303 2.494 20 10 FECDMN Cc1cc(Br)c([O-])c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000827700215 675773514 /nfs/dbraw/zinc/77/35/14/675773514.db2.gz QBTGMSJZDNZVRG-HNNXBMFYSA-N 0 1 369.303 2.494 20 10 FECDMN CCN(Cc1cc(Br)ccc1O)C(=O)C1=NC(=O)N(C)C1 ZINC000830149603 677027695 /nfs/dbraw/zinc/02/76/95/677027695.db2.gz HLHIMSZDTBEMSB-UHFFFAOYSA-N 0 1 354.204 2.256 20 10 FECDMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](F)C3)cc2F)CC1 ZINC000838338684 680687612 /nfs/dbraw/zinc/68/76/12/680687612.db2.gz VZDOQUJIXBJCRC-HNNXBMFYSA-N 0 1 352.429 2.221 20 10 FECDMN COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000874043742 685278556 /nfs/dbraw/zinc/27/85/56/685278556.db2.gz YTWONJWFCZNUDM-HNNXBMFYSA-N 0 1 358.232 2.386 20 10 FECDMN COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000874043742 685278560 /nfs/dbraw/zinc/27/85/60/685278560.db2.gz YTWONJWFCZNUDM-HNNXBMFYSA-N 0 1 358.232 2.386 20 10 FECDMN COCC1(O)CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769451864 680983544 /nfs/dbraw/zinc/98/35/44/680983544.db2.gz OWLWINGUZOXBII-UHFFFAOYSA-N 0 1 360.248 2.137 20 10 FECDMN C[C@H]1CN(Cc2cc(Cl)ccc2O)CCN1c1nccn2cnnc12 ZINC000770279255 681011506 /nfs/dbraw/zinc/01/15/06/681011506.db2.gz HELKNERRLQLZFM-LBPRGKRZSA-N 0 1 358.833 2.194 20 10 FECDMN COc1c([O-])c(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775007365 681267331 /nfs/dbraw/zinc/26/73/31/681267331.db2.gz LPKQSGFZOYYYGB-VXGBXAGGSA-N 0 1 351.403 2.188 20 10 FECDMN Cn1cccc1C(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775646554 681321540 /nfs/dbraw/zinc/32/15/40/681321540.db2.gz ZULPDTBQBULPCN-UHFFFAOYSA-N 0 1 351.809 2.481 20 10 FECDMN O=C1[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCN1C1CCOCC1 ZINC000776230443 681374858 /nfs/dbraw/zinc/37/48/58/681374858.db2.gz IPAJODLNLCEZTB-AWEZNQCLSA-N 0 1 369.259 2.024 20 10 FECDMN Cc1cc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)ccc1O ZINC000776748102 681433071 /nfs/dbraw/zinc/43/30/71/681433071.db2.gz XDXOHQKHQDMUTG-UHFFFAOYSA-N 0 1 374.415 2.012 20 10 FECDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)c1[O-] ZINC000782978706 682100264 /nfs/dbraw/zinc/10/02/64/682100264.db2.gz IMZSYOGXFVBPSR-JTQLQIEISA-N 0 1 366.414 2.232 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)[C@@H](F)C(C)C)CC2)cc1 ZINC000784028700 682194361 /nfs/dbraw/zinc/19/43/61/682194361.db2.gz VUVXGFAPXLISND-SFHVURJKSA-N 0 1 351.466 2.318 20 10 FECDMN CCC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000852628259 682310767 /nfs/dbraw/zinc/31/07/67/682310767.db2.gz BXNRBEWGNAYKRL-LBPRGKRZSA-N 0 1 356.264 2.438 20 10 FECDMN CCC[N@H+]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000852628259 682310771 /nfs/dbraw/zinc/31/07/71/682310771.db2.gz BXNRBEWGNAYKRL-LBPRGKRZSA-N 0 1 356.264 2.438 20 10 FECDMN CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000790761242 682699869 /nfs/dbraw/zinc/69/98/69/682699869.db2.gz UCFZXFOKGNXKSM-YPMHNXCESA-N 0 1 362.264 2.219 20 10 FECDMN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000790760188 682699981 /nfs/dbraw/zinc/69/99/81/682699981.db2.gz MSTKRIFOBSGIJK-DGCLKSJQSA-N 0 1 362.264 2.219 20 10 FECDMN CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000795654666 683077802 /nfs/dbraw/zinc/07/78/02/683077802.db2.gz UVSACNIKJAKOOX-OAHLLOKOSA-N 0 1 370.515 2.251 20 10 FECDMN Cc1ccnn1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000860243120 683222134 /nfs/dbraw/zinc/22/21/34/683222134.db2.gz XZFMVGGFVYIWKJ-MRXNPFEDSA-N 0 1 362.861 2.331 20 10 FECDMN COc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2F)ccc1O ZINC000797819256 683275924 /nfs/dbraw/zinc/27/59/24/683275924.db2.gz BYRMKCZIZUSSPA-UHFFFAOYSA-N 0 1 354.359 2.299 20 10 FECDMN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000862551011 683600318 /nfs/dbraw/zinc/60/03/18/683600318.db2.gz JEUQDXZSFKWWPG-JTQLQIEISA-N 0 1 367.298 2.460 20 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CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000270587494 550286961 /nfs/dbraw/zinc/28/69/61/550286961.db2.gz BANWGJPYYAMROK-CQSZACIVSA-N 0 1 372.473 2.325 20 10 FECDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCN1c1nccn2cnnc12 ZINC000271834321 550404779 /nfs/dbraw/zinc/40/47/79/550404779.db2.gz PGKCBYZVFPARMC-GFCCVEGCSA-N 0 1 358.833 2.194 20 10 FECDMN COC(=O)c1cn(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)nn1 ZINC000273779173 550511053 /nfs/dbraw/zinc/51/10/53/550511053.db2.gz SGCUCBHQMASQCO-UHFFFAOYSA-N 0 1 361.421 2.107 20 10 FECDMN COc1c([O-])c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133791 550752888 /nfs/dbraw/zinc/75/28/88/550752888.db2.gz CPNMZIZBOLWZHY-IINYFYTJSA-N 0 1 364.320 2.444 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133791 550752887 /nfs/dbraw/zinc/75/28/87/550752887.db2.gz CPNMZIZBOLWZHY-IINYFYTJSA-N 0 1 364.320 2.444 20 10 FECDMN COc1c([O-])c(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] 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/nfs/dbraw/zinc/29/36/40/552293640.db2.gz GNKWEHWKYXXUKY-MNOVXSKESA-N 0 1 364.320 2.302 20 10 FECDMN NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000289690526 552362416 /nfs/dbraw/zinc/36/24/16/552362416.db2.gz FLXXPFOLOWNIOB-KRWDZBQOSA-N 0 1 359.857 2.390 20 10 FECDMN CCc1cc(O)ccc1NS(=O)(=O)c1cnc(C)c(C(=O)OC)c1 ZINC000292017948 552685060 /nfs/dbraw/zinc/68/50/60/552685060.db2.gz ZQBNYWROSRZALJ-UHFFFAOYSA-N 0 1 350.396 2.245 20 10 FECDMN C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000294477427 552909310 /nfs/dbraw/zinc/90/93/10/552909310.db2.gz ZSZDEWMWXOQHOE-UHFFFAOYSA-N 0 1 350.843 2.041 20 10 FECDMN COc1cc(Br)cc(CN2CC[C@H](n3cncn3)C2)c1O ZINC000364534961 555331579 /nfs/dbraw/zinc/33/15/79/555331579.db2.gz YYDGEQIGWMNMGT-LBPRGKRZSA-N 0 1 353.220 2.202 20 10 FECDMN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000366532588 555869633 /nfs/dbraw/zinc/86/96/33/555869633.db2.gz DIUJYWNIKHCLHP-SFHVURJKSA-N 0 1 366.527 2.312 20 10 FECDMN CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000370074631 556773620 /nfs/dbraw/zinc/77/36/20/556773620.db2.gz WQNYKHGVSJQXFK-NSHDSACASA-N 0 1 368.434 2.006 20 10 FECDMN CC(C)NS(=O)(=O)[C@@H]1CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000372812292 557567294 /nfs/dbraw/zinc/56/72/94/557567294.db2.gz AVPOAINDVWPUEJ-SNVBAGLBSA-N 0 1 350.843 2.087 20 10 FECDMN COc1cc(O)c(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000376941323 558242186 /nfs/dbraw/zinc/24/21/86/558242186.db2.gz NVASVDWQRSWCQX-CYBMUJFWSA-N 0 1 362.386 2.351 20 10 FECDMN CCN(CC)c1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1F ZINC000377714016 558403286 /nfs/dbraw/zinc/40/32/86/558403286.db2.gz DDHFPWYJSAQGPO-UHFFFAOYSA-N 0 1 362.449 2.188 20 10 FECDMN Cn1cc([C@H]2[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCCN2C)cn1 ZINC000378537489 558577920 /nfs/dbraw/zinc/57/79/20/558577920.db2.gz FAJKQWDKCWXNPJ-IVBWXWQKSA-N 0 1 370.453 2.044 20 10 FECDMN CC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CCN1C[C@H](C)O ZINC000472219558 561021296 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Cc1csc(-c2ccc(NC(=O)C3=S=C(c4nn[nH]n4)C=C3)cc2)n1 ZINC000822410119 606545113 /nfs/dbraw/zinc/54/51/13/606545113.db2.gz XFJRHJUQGQZJSW-UHFFFAOYSA-N 0 1 368.447 2.266 20 10 FECDMN Cc1cccc(CN2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1O ZINC000826298275 608583062 /nfs/dbraw/zinc/58/30/62/608583062.db2.gz LKMJFAXAYRQEEV-UHFFFAOYSA-N 0 1 368.416 2.342 20 10 FECDMN COc1cccc(CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826216158 608853590 /nfs/dbraw/zinc/85/35/90/608853590.db2.gz MTAIOSSGZVCMNE-KRWDZBQOSA-N 0 1 367.409 2.154 20 10 FECDMN Cc1cc(C)n(CC(=O)NCc2cc(Cl)cc(Cl)c2O)c(=O)n1 ZINC000813682918 674768986 /nfs/dbraw/zinc/76/89/86/674768986.db2.gz NKWAEYFLDQVPOS-UHFFFAOYSA-N 0 1 356.209 2.189 20 10 FECDMN CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816484748 675058629 /nfs/dbraw/zinc/05/86/29/675058629.db2.gz NFOLWTPGUFGLMW-GFCCVEGCSA-N 0 1 357.857 2.217 20 10 FECDMN COC(=O)C[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134267435 672121488 /nfs/dbraw/zinc/12/14/88/672121488.db2.gz FERGQRHNZXLYAT-WFASDCNBSA-N 0 1 368.861 2.325 20 10 FECDMN CN(CCN1CCCS1(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000746296377 673871367 /nfs/dbraw/zinc/87/13/67/673871367.db2.gz KXAAPUPDGFGSCY-UHFFFAOYSA-N 0 1 351.516 2.144 20 10 FECDMN COc1c([O-])c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124679 675637765 /nfs/dbraw/zinc/63/77/65/675637765.db2.gz WAFBPIBWTWOIIQ-NOZJJQNGSA-N 0 1 350.293 2.054 20 10 FECDMN COc1c([O-])c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124679 675637767 /nfs/dbraw/zinc/63/77/67/675637767.db2.gz WAFBPIBWTWOIIQ-NOZJJQNGSA-N 0 1 350.293 2.054 20 10 FECDMN CNS(=O)(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828461367 675821964 /nfs/dbraw/zinc/82/19/64/675821964.db2.gz UQZCPZUWFLNKDU-KRWDZBQOSA-N 0 1 351.516 2.109 20 10 FECDMN O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000761228968 680715864 /nfs/dbraw/zinc/71/58/64/680715864.db2.gz PNRRVXPQJNNFKW-GFCCVEGCSA-N 0 1 354.248 2.191 20 10 FECDMN 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FECDMN COc1ccc(N2CCCN(Cc3ccc(C(=O)N(C)C)[nH]3)CC2)cc1 ZINC000092380661 542861077 /nfs/dbraw/zinc/86/10/77/542861077.db2.gz DVKFJWLTUJQBSM-UHFFFAOYSA-N 0 1 356.470 2.437 20 10 FECDMN CCOc1ccc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1 ZINC000093534126 542932871 /nfs/dbraw/zinc/93/28/71/542932871.db2.gz LINNHXNCUUAKIL-UHFFFAOYSA-N 0 1 355.438 2.212 20 10 FECDMN COc1cccc(CN(C)CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000093685864 542938098 /nfs/dbraw/zinc/93/80/98/542938098.db2.gz CUZQGNMPUKYSAW-UHFFFAOYSA-N 0 1 364.467 2.120 20 10 FECDMN CCc1[nH]nc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1[N+](=O)[O-] ZINC000171804076 546225586 /nfs/dbraw/zinc/22/55/86/546225586.db2.gz WXLGUKMOGJVICY-UHFFFAOYSA-N 0 1 373.413 2.241 20 10 FECDMN CN(C)c1ccncc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000183483974 547668986 /nfs/dbraw/zinc/66/89/86/547668986.db2.gz IWGNXZSLIOXGBZ-UHFFFAOYSA-N 0 1 354.454 2.256 20 10 FECDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000187515870 548258892 /nfs/dbraw/zinc/25/88/92/548258892.db2.gz 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CCN(CC)CCS(=O)(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000810046956 674527170 /nfs/dbraw/zinc/52/71/70/674527170.db2.gz FGFGMJWRNKUHCY-UHFFFAOYSA-N 0 1 359.511 2.433 20 10 FECDMN COc1ccnc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816484419 675058623 /nfs/dbraw/zinc/05/86/23/675058623.db2.gz BNLFQTHSCBKPHK-UHFFFAOYSA-N 0 1 352.797 2.306 20 10 FECDMN COc1cc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)ncn1 ZINC000816570309 675065697 /nfs/dbraw/zinc/06/56/97/675065697.db2.gz PTKWWHYFHIKWPW-UHFFFAOYSA-N 0 1 352.797 2.306 20 10 FECDMN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Br)ccc1[O-] ZINC000090025993 670709521 /nfs/dbraw/zinc/70/95/21/670709521.db2.gz BHSWYUXZUBDHBX-NEPJUHHUSA-N 0 1 355.232 2.343 20 10 FECDMN [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092218232 670736851 /nfs/dbraw/zinc/73/68/51/670736851.db2.gz LLHMCIBVINQIAI-AWEZNQCLSA-N 0 1 355.276 2.451 20 10 FECDMN COC(=O)c1cccc(F)c1NS(=O)(=O)c1cccc2nsnc21 ZINC000547702961 673882748 /nfs/dbraw/zinc/88/27/48/673882748.db2.gz VUDSTAPJRAVKIY-UHFFFAOYSA-N 0 1 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C[C@@H]1CN(CCCNC(=O)NCc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000844868215 681089032 /nfs/dbraw/zinc/08/90/32/681089032.db2.gz LRLBAYZWLHKRQR-BETUJISGSA-N 0 1 355.866 2.344 20 10 FECDMN O=C([C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-])N1CCOCC1 ZINC000775678641 681323602 /nfs/dbraw/zinc/32/36/02/681323602.db2.gz HKJLKQJQLUUALE-OAHLLOKOSA-N 0 1 356.825 2.398 20 10 FECDMN O=C([C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-])N1CCOCC1 ZINC000775678641 681323608 /nfs/dbraw/zinc/32/36/08/681323608.db2.gz HKJLKQJQLUUALE-OAHLLOKOSA-N 0 1 356.825 2.398 20 10 FECDMN Cc1cc(Br)cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000775712821 681326931 /nfs/dbraw/zinc/32/69/31/681326931.db2.gz JLLOSHXINFJEAO-LLVKDONJSA-N 0 1 362.289 2.330 20 10 FECDMN Cc1cc(Br)c([O-])c(CN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000781908565 681987761 /nfs/dbraw/zinc/98/77/61/681987761.db2.gz KNAKXPNBLQAHPH-UHFFFAOYSA-N 0 1 357.292 2.352 20 10 FECDMN COc1ccc(N2CCN(CCCNC(=O)CSC(C)C)CC2)cc1 ZINC000914467546 685508163 /nfs/dbraw/zinc/50/81/63/685508163.db2.gz 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