smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(C2CC[NH2+]CC2)nc(-c2ccc(C[NH+]3CCSCC3)cc2)[nH]1 ZINC000023581855 539716261 /nfs/dbraw/zinc/71/62/61/539716261.db2.gz AZZQPZVDPUCTCH-UHFFFAOYSA-N 2 0 370.522 2.453 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)[C@@H](C)C1 ZINC000247458083 549336401 /nfs/dbraw/zinc/33/64/01/549336401.db2.gz UDTOBGBMGIFMKG-ZSYWTGECSA-N 2 0 368.566 2.151 10 0 FEAERP CC[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1CCOC ZINC000117498713 543634190 /nfs/dbraw/zinc/63/41/90/543634190.db2.gz ZAFGMIRQHHEBRW-IRXDYDNUSA-N 2 0 356.555 2.105 10 0 FEAERP CC[N@H+](CC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1)C1CC1 ZINC000153324755 544761790 /nfs/dbraw/zinc/76/17/90/544761790.db2.gz RWUNOUUTFSNTLU-MRXNPFEDSA-N 2 0 351.516 2.030 10 0 FEAERP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247537626 549352758 /nfs/dbraw/zinc/35/27/58/549352758.db2.gz CQQWAURZKJSKCS-ICSRJNTNSA-N 2 0 364.530 2.068 10 0 FEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190692748 328225038 /nfs/dbraw/zinc/22/50/38/328225038.db2.gz WYWNCCZSUGKLOH-ICSRJNTNSA-N 2 0 373.545 2.419 10 0 FEAERP CC[N@H+](CCNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000190705199 328226073 /nfs/dbraw/zinc/22/60/73/328226073.db2.gz NPZPEGVCNKWMDS-GOSISDBHSA-N 2 0 359.518 2.029 10 0 FEAERP CCCCOC[C@H](O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000193364517 328370843 /nfs/dbraw/zinc/37/08/43/328370843.db2.gz LTMYUIZBRDJSRZ-QGZVFWFLSA-N 2 0 350.507 2.208 10 0 FEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000081292966 325168663 /nfs/dbraw/zinc/16/86/63/325168663.db2.gz MZIVUFCLEHKAAS-IBGZPJMESA-N 2 0 360.546 2.291 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000121145735 326316678 /nfs/dbraw/zinc/31/66/78/326316678.db2.gz TYEFPKDTQXDGOE-INIZCTEOSA-N 2 0 357.502 2.007 10 0 FEAERP CCC[C@@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000161530299 327001860 /nfs/dbraw/zinc/00/18/60/327001860.db2.gz ARFLLSWNBIPLSK-FQEVSTJZSA-N 2 0 360.546 2.041 10 0 FEAERP Cn1cc([C@H]2CC[NH+](CCCC[N@H+]3CC[C@H](c4cnn(C)c4)C3)C2)cn1 ZINC000158414561 545857468 /nfs/dbraw/zinc/85/74/68/545857468.db2.gz LPAKCHZRANQZAH-ROUUACIJSA-N 2 0 356.518 2.213 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000175946724 546377715 /nfs/dbraw/zinc/37/77/15/546377715.db2.gz SQEXDJWEWKLPQG-GOSISDBHSA-N 2 0 350.482 2.383 10 0 FEAERP CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178779278 546848062 /nfs/dbraw/zinc/84/80/62/546848062.db2.gz MUMHKCRWTILGLC-WMZOPIPTSA-N 2 0 359.495 2.280 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000182077330 547433533 /nfs/dbraw/zinc/43/35/33/547433533.db2.gz AAJOEPJQBOOWOV-DLBZAZTESA-N 2 0 373.501 2.317 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000245413647 548911425 /nfs/dbraw/zinc/91/14/25/548911425.db2.gz BQADEWOKPAUVSK-RTWAWAEBSA-N 2 0 370.541 2.133 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000246111597 549054464 /nfs/dbraw/zinc/05/44/64/549054464.db2.gz HVBWHOCHEMFVRK-UXHICEINSA-N 2 0 371.529 2.314 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000246457547 549138327 /nfs/dbraw/zinc/13/83/27/549138327.db2.gz PPAHLGKPFOITAH-APWZRJJASA-N 2 0 357.502 2.176 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000246724174 549196821 /nfs/dbraw/zinc/19/68/21/549196821.db2.gz AGNHEQQHVDWTAN-OLMNPRSZSA-N 2 0 350.482 2.456 10 0 FEAERP Cn1cc([C@@H]2CC[NH+](CCCC[N@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000246977350 549255562 /nfs/dbraw/zinc/25/55/62/549255562.db2.gz LPAKCHZRANQZAH-QZTJIDSGSA-N 2 0 356.518 2.213 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000247605809 549366137 /nfs/dbraw/zinc/36/61/37/549366137.db2.gz LPUURABJVNXLIM-QZTJIDSGSA-N 2 0 361.530 2.058 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000247800534 549381057 /nfs/dbraw/zinc/38/10/57/549381057.db2.gz UYFVPONQXJKIKF-LAUBAEHRSA-N 2 0 373.541 2.349 10 0 FEAERP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247807959 549383473 /nfs/dbraw/zinc/38/34/73/549383473.db2.gz TYFBZETYNLMBLR-OKZBNKHCSA-N 2 0 361.530 2.277 10 0 FEAERP c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000248411166 549431915 /nfs/dbraw/zinc/43/19/15/549431915.db2.gz YYIZJBVCOGJZGD-MUGJNUQGSA-N 2 0 351.498 2.483 10 0 FEAERP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)CCCC2)CC1 ZINC000261886631 549765784 /nfs/dbraw/zinc/76/57/84/549765784.db2.gz FYXOLDNNEWCIRX-VAMGGRTRSA-N 2 0 365.562 2.157 10 0 FEAERP CCN(C)c1ccc(CN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261934627 549771331 /nfs/dbraw/zinc/77/13/31/549771331.db2.gz LXVKLMNSXJLKLO-GOSISDBHSA-N 2 0 368.529 2.416 10 0 FEAERP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)nc1-c1ccncc1 ZINC000261985669 549777251 /nfs/dbraw/zinc/77/72/51/549777251.db2.gz SAWCEOHVZQWFAP-ZACQAIPSSA-N 2 0 358.511 2.494 10 0 FEAERP CN1CC[NH2+]C[C@@H]1c1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000263228044 549887233 /nfs/dbraw/zinc/88/72/33/549887233.db2.gz NAOLIWSPUJQPLH-DOTOQJQBSA-N 2 0 359.449 2.164 10 0 FEAERP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000246063096 672829146 /nfs/dbraw/zinc/82/91/46/672829146.db2.gz ZGTUMLZTGIRTLG-GVDBMIGSSA-N 2 0 355.523 2.116 10 0 FEAERP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000246063091 672829154 /nfs/dbraw/zinc/82/91/54/672829154.db2.gz ZGTUMLZTGIRTLG-BBWFWOEESA-N 2 0 355.523 2.116 10 0 FEAERP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126560 543204302 /nfs/dbraw/zinc/20/43/02/543204302.db2.gz GUSGBMIIHABZFG-ZIFCJYIRSA-N 2 0 353.551 2.191 10 0 FEAERP C[N@@H+](CC(=O)NCC1CCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000108867565 543306296 /nfs/dbraw/zinc/30/62/96/543306296.db2.gz RWOCGVJQBRHINB-NRFANRHFSA-N 2 0 373.541 2.280 10 0 FEAERP CCN(CC)C(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112550022 543451582 /nfs/dbraw/zinc/45/15/82/543451582.db2.gz AQWHIPFPBQEPQZ-PXNSSMCTSA-N 2 0 361.530 2.279 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000113614709 543492790 /nfs/dbraw/zinc/49/27/90/543492790.db2.gz NSCWBESUHGRISF-PKOBYXMFSA-N 2 0 374.529 2.395 10 0 FEAERP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOCC)[C@@H](CC)C2)CC1 ZINC000117042103 543621473 /nfs/dbraw/zinc/62/14/73/543621473.db2.gz OWEIEZPCIWRPDC-IBGZPJMESA-N 2 0 368.566 2.393 10 0 FEAERP CCOCCN1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000116769250 543614903 /nfs/dbraw/zinc/61/49/03/543614903.db2.gz ZBIRJONUFVHEAE-WOJBJXKFSA-N 2 0 361.530 2.119 10 0 FEAERP COc1ccccc1[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000247496883 549345156 /nfs/dbraw/zinc/34/51/56/549345156.db2.gz MSFFBQLKUAYRGU-HKUYNNGSSA-N 2 0 372.513 2.322 10 0 FEAERP CC[N@H+](CC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1)C1CC1 ZINC000153326224 544761442 /nfs/dbraw/zinc/76/14/42/544761442.db2.gz DYDFACBFRVKYFA-GDBMZVCRSA-N 2 0 351.516 2.110 10 0 FEAERP C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000091712120 325391336 /nfs/dbraw/zinc/39/13/36/325391336.db2.gz HWGNAJMZECWEIE-ZWKOTPCHSA-N 2 0 366.550 2.051 10 0 FEAERP CCC[C@@H](C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000161526927 327002010 /nfs/dbraw/zinc/00/20/10/327002010.db2.gz ODANGQBACWMNDV-FQEVSTJZSA-N 2 0 360.546 2.354 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000163511408 327053329 /nfs/dbraw/zinc/05/33/29/327053329.db2.gz HSOMWJDYGJKZDM-HXUWFJFHSA-N 2 0 359.514 2.105 10 0 FEAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262941427 328901911 /nfs/dbraw/zinc/90/19/11/328901911.db2.gz IVWJWPXXROQQSI-VWPQPMDRSA-N 2 0 373.541 2.456 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000177389959 546606653 /nfs/dbraw/zinc/60/66/53/546606653.db2.gz IUBWOXDUEMPHDM-SFHVURJKSA-N 2 0 362.518 2.253 10 0 FEAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000182955830 547578921 /nfs/dbraw/zinc/57/89/21/547578921.db2.gz KJUUMVCJTMXUFG-SFHVURJKSA-N 2 0 364.921 2.402 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000246272163 549093703 /nfs/dbraw/zinc/09/37/03/549093703.db2.gz ARTASOPGTDHLEL-VQIMIIECSA-N 2 0 360.502 2.369 10 0 FEAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000246360679 549113548 /nfs/dbraw/zinc/11/35/48/549113548.db2.gz FCZCDNIKXZFHAK-XLIONFOSSA-N 2 0 356.514 2.313 10 0 FEAERP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000248595292 549465088 /nfs/dbraw/zinc/46/50/88/549465088.db2.gz MFWGPXXBBUWAQP-UYAOXDASSA-N 2 0 359.514 2.186 10 0 FEAERP Cc1csc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cc(=O)n12 ZINC000261879062 549765288 /nfs/dbraw/zinc/76/52/88/549765288.db2.gz YILSNCKNJFZVRX-WBVHZDCISA-N 2 0 354.479 2.239 10 0 FEAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000180210132 672410877 /nfs/dbraw/zinc/41/08/77/672410877.db2.gz TUYBRYVMGHBKLJ-IXDOHACOSA-N 2 0 355.523 2.068 10 0 FEAERP COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000055072139 205206295 /nfs/dbraw/zinc/20/62/95/205206295.db2.gz JRNAQKAUSJYUTL-ZDUSSCGKSA-N 2 0 369.425 2.293 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000106126275 543204557 /nfs/dbraw/zinc/20/45/57/543204557.db2.gz HPBOUGJIOMIDCV-AWEZNQCLSA-N 2 0 353.894 2.303 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000106126700 543204704 /nfs/dbraw/zinc/20/47/04/543204704.db2.gz TYFBZETYNLMBLR-BZSNNMDCSA-N 2 0 361.530 2.277 10 0 FEAERP CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180620404 327694023 /nfs/dbraw/zinc/69/40/23/327694023.db2.gz YDTLLQXHGOQYDM-WBVHZDCISA-N 2 0 357.502 2.447 10 0 FEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000190591777 328218409 /nfs/dbraw/zinc/21/84/09/328218409.db2.gz JKFKJMZMBGCORG-LJQANCHMSA-N 2 0 358.530 2.482 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000117031413 326048124 /nfs/dbraw/zinc/04/81/24/326048124.db2.gz LLEZZVMIWSWRFR-IAGOWNOFSA-N 2 0 368.547 2.103 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)[C@H](C)C1 ZINC000120875357 326295438 /nfs/dbraw/zinc/29/54/38/326295438.db2.gz UDTOBGBMGIFMKG-YDZRNGNQSA-N 2 0 368.566 2.151 10 0 FEAERP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171904695 327169452 /nfs/dbraw/zinc/16/94/52/327169452.db2.gz YHHVWDOEIMFWAJ-FQEVSTJZSA-N 2 0 356.514 2.388 10 0 FEAERP CC[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174623553 327339454 /nfs/dbraw/zinc/33/94/54/327339454.db2.gz JLPYUKYLCROOED-XLIONFOSSA-N 2 0 359.514 2.200 10 0 FEAERP CC(C)N1CCC[C@@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175010422 327367687 /nfs/dbraw/zinc/36/76/87/327367687.db2.gz FLQXQUVGDPKHSH-RTWAWAEBSA-N 2 0 373.541 2.421 10 0 FEAERP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000158412723 545858319 /nfs/dbraw/zinc/85/83/19/545858319.db2.gz HARMHPMKZDNSKI-HXUWFJFHSA-N 2 0 369.513 2.014 10 0 FEAERP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc3c(C)cccn23)ncn1 ZINC000174361066 546295515 /nfs/dbraw/zinc/29/55/15/546295515.db2.gz NXZQJKKZJUZZPA-HNNXBMFYSA-N 2 0 351.458 2.233 10 0 FEAERP CC[NH+](CC)CC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177466037 546625456 /nfs/dbraw/zinc/62/54/56/546625456.db2.gz UDTIELUSULTKHN-HXUWFJFHSA-N 2 0 361.530 2.232 10 0 FEAERP c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(CN2CC[NH+]3CCC[C@H]3C2)c1 ZINC000245896123 549013088 /nfs/dbraw/zinc/01/30/88/549013088.db2.gz SLDXHXACUKOAOZ-VXKWHMMOSA-N 2 0 354.542 2.247 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C[C@H]1CC ZINC000246601845 549171900 /nfs/dbraw/zinc/17/19/00/549171900.db2.gz ZPNXTTFFAXVQRB-RTBURBONSA-N 2 0 368.566 2.107 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000247245953 549305993 /nfs/dbraw/zinc/30/59/93/549305993.db2.gz NHKUNCHTTIRYHT-AEFFLSMTSA-N 2 0 360.502 2.005 10 0 FEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC000247337087 549321603 /nfs/dbraw/zinc/32/16/03/549321603.db2.gz NGZIYUVXZPIGBF-YLJYHZDGSA-N 2 0 358.530 2.287 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248484258 549448904 /nfs/dbraw/zinc/44/89/04/549448904.db2.gz JXNPIKGQOOJLHN-RBUKOAKNSA-N 2 0 368.566 2.129 10 0 FEAERP CCN(C)c1ccc(CN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261934629 549771433 /nfs/dbraw/zinc/77/14/33/549771433.db2.gz LXVKLMNSXJLKLO-SFHVURJKSA-N 2 0 368.529 2.416 10 0 FEAERP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261938516 549771899 /nfs/dbraw/zinc/77/18/99/549771899.db2.gz MPBMSLMPKKPKSZ-ZCNNSNEGSA-N 2 0 357.498 2.056 10 0 FEAERP COc1ccc(-n2ccc(CN[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)n2)cc1 ZINC000261954446 549773894 /nfs/dbraw/zinc/77/38/94/549773894.db2.gz OUFWNOWWJCAESM-VAMGGRTRSA-N 2 0 356.470 2.128 10 0 FEAERP Cn1cc([C@H]2[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC(=O)N2C)cn1 ZINC000328634508 553800021 /nfs/dbraw/zinc/80/00/21/553800021.db2.gz UAQXTHHICUYIBC-HRAATJIYSA-N 2 0 373.545 2.326 10 0 FEAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638804399 677150378 /nfs/dbraw/zinc/15/03/78/677150378.db2.gz UJCXINKZEMOQLN-BZUAXINKSA-N 2 0 355.404 2.023 10 0 FEAERP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000247375490 549325930 /nfs/dbraw/zinc/32/59/30/549325930.db2.gz OGKQLCLQWKAQLN-PKOBYXMFSA-N 2 0 371.481 2.402 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)[NH+](C)C)c1 ZINC000105083149 543157720 /nfs/dbraw/zinc/15/77/20/543157720.db2.gz ZXROHYIWHWSEAP-MJGOQNOKSA-N 2 0 360.502 2.178 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000113589091 543491317 /nfs/dbraw/zinc/49/13/17/543491317.db2.gz NHKUNCHTTIRYHT-FUHWJXTLSA-N 2 0 360.502 2.005 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000155108086 544990733 /nfs/dbraw/zinc/99/07/33/544990733.db2.gz LDXIUOWRJIYHNX-SJORKVTESA-N 2 0 353.551 2.191 10 0 FEAERP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000183162527 327804819 /nfs/dbraw/zinc/80/48/19/327804819.db2.gz IBROTSUDSYEZDB-FUHIMQAGSA-N 2 0 359.514 2.313 10 0 FEAERP CC[NH+](CC)CCNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190678897 328224088 /nfs/dbraw/zinc/22/40/88/328224088.db2.gz NGTCOYXRBONDPE-MRXNPFEDSA-N 2 0 367.563 2.257 10 0 FEAERP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000152019523 326697122 /nfs/dbraw/zinc/69/71/22/326697122.db2.gz QLTCIFKSRMTKFT-FXAWDEMLSA-N 2 0 374.529 2.089 10 0 FEAERP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cc2)CC1 ZINC000173749309 327281077 /nfs/dbraw/zinc/28/10/77/327281077.db2.gz ZTUKICSSBPCZIX-FXAWDEMLSA-N 2 0 356.514 2.137 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000173755010 327281523 /nfs/dbraw/zinc/28/15/23/327281523.db2.gz DOHPLVYFJRZRCH-RTBURBONSA-N 2 0 374.529 2.395 10 0 FEAERP CN(C)CC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000020167842 521788681 /nfs/dbraw/zinc/78/86/81/521788681.db2.gz CBMJWMOUGXEZPE-OAQYLSRUSA-N 2 0 371.525 2.210 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000157826390 545789648 /nfs/dbraw/zinc/78/96/48/545789648.db2.gz BFLMGVANRJQHOT-APWZRJJASA-N 2 0 362.518 2.155 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000158918212 545905359 /nfs/dbraw/zinc/90/53/59/545905359.db2.gz QFDODSOSQMXESP-AEFFLSMTSA-N 2 0 362.518 2.155 10 0 FEAERP COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000170862939 546180571 /nfs/dbraw/zinc/18/05/71/546180571.db2.gz OTZSPHGLTHKXMB-SJLPKXTDSA-N 2 0 360.502 2.178 10 0 FEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000176861869 546497772 /nfs/dbraw/zinc/49/77/72/546497772.db2.gz DAZAREUENWBZKR-YLJYHZDGSA-N 2 0 361.530 2.231 10 0 FEAERP CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180621327 547143340 /nfs/dbraw/zinc/14/33/40/547143340.db2.gz IVDZZXAZWNVRHD-NVXWUHKLSA-N 2 0 357.502 2.447 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)C[C@H]1CC ZINC000246901001 549238882 /nfs/dbraw/zinc/23/88/82/549238882.db2.gz AIIKLLFZBCSNKX-IAGOWNOFSA-N 2 0 366.506 2.025 10 0 FEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246995539 549260419 /nfs/dbraw/zinc/26/04/19/549260419.db2.gz FIPAMPYCVLNQDC-IEBWSBKVSA-N 2 0 371.529 2.447 10 0 FEAERP CSC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000249279501 549575672 /nfs/dbraw/zinc/57/56/72/549575672.db2.gz OIXIUUJLDFBNIT-RTBURBONSA-N 2 0 352.544 2.088 10 0 FEAERP Cn1cc(C[NH+]2CCC3(CC[C@@H](C[N@H+](C)Cc4ccncc4)O3)CC2)cn1 ZINC000257192166 549715378 /nfs/dbraw/zinc/71/53/78/549715378.db2.gz SSKZIHVLTAQPHV-FQEVSTJZSA-N 2 0 369.513 2.461 10 0 FEAERP CC(C)c1csc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000262008132 549779865 /nfs/dbraw/zinc/77/98/65/549779865.db2.gz FFJPNWJBKKWLSG-HNNXBMFYSA-N 2 0 350.532 2.268 10 0 FEAERP COCCN1CCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130078857 672070511 /nfs/dbraw/zinc/07/05/11/672070511.db2.gz FAZZVMJHHCTQRG-SJORKVTESA-N 2 0 355.523 2.334 10 0 FEAERP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000653122373 677516704 /nfs/dbraw/zinc/51/67/04/677516704.db2.gz VDCQNENXEWYNNZ-SLBVQIDZSA-N 2 0 355.404 2.164 10 0 FEAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C)nn(C)c2OC)CC1 ZINC000093769450 542940517 /nfs/dbraw/zinc/94/05/17/542940517.db2.gz JOMYQXJQMCOSTC-UHFFFAOYSA-N 2 0 352.523 2.308 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000106125952 543205006 /nfs/dbraw/zinc/20/50/06/543205006.db2.gz HYJLBVRAJWGLER-UZLBHIALSA-N 2 0 359.514 2.031 10 0 FEAERP C[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000116791106 543615674 /nfs/dbraw/zinc/61/56/74/543615674.db2.gz LEOWLVRVVWWQPT-RXVVDRJESA-N 2 0 373.541 2.119 10 0 FEAERP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000151063282 544501363 /nfs/dbraw/zinc/50/13/63/544501363.db2.gz VXDCIPKRKHYACY-AWEZNQCLSA-N 2 0 352.450 2.137 10 0 FEAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nnnn1C1CC1 ZINC000190576863 328217191 /nfs/dbraw/zinc/21/71/91/328217191.db2.gz AKWDCMIVOKWAEV-DNVCBOLYSA-N 2 0 370.501 2.104 10 0 FEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000190686695 328224767 /nfs/dbraw/zinc/22/47/67/328224767.db2.gz AZGIYWIJOSXHIR-HXUWFJFHSA-N 2 0 373.545 2.421 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000121390690 326335070 /nfs/dbraw/zinc/33/50/70/326335070.db2.gz XBRLOWKOCLSTJN-QYZOEREBSA-N 2 0 368.566 2.030 10 0 FEAERP COCCC[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000171193081 327123457 /nfs/dbraw/zinc/12/34/57/327123457.db2.gz AWGSYHOXFGZEIC-LJQANCHMSA-N 2 0 362.518 2.089 10 0 FEAERP CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000171901781 327168520 /nfs/dbraw/zinc/16/85/20/327168520.db2.gz PBYCSCDNSHBXAG-IBGZPJMESA-N 2 0 356.514 2.313 10 0 FEAERP CC(C)N1CCC[C@@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175010460 327367750 /nfs/dbraw/zinc/36/77/50/327367750.db2.gz FLQXQUVGDPKHSH-NHCUHLMSSA-N 2 0 373.541 2.421 10 0 FEAERP CCC[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000245513097 548936752 /nfs/dbraw/zinc/93/67/52/548936752.db2.gz OKKARFSMYOHIOG-AEFFLSMTSA-N 2 0 360.502 2.053 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000246111585 549054295 /nfs/dbraw/zinc/05/42/95/549054295.db2.gz HVBWHOCHEMFVRK-PMACEKPBSA-N 2 0 371.529 2.314 10 0 FEAERP c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)ccc1CN1CC[NH+]2CCC[C@H]2C1 ZINC000246252048 549089783 /nfs/dbraw/zinc/08/97/83/549089783.db2.gz FNHGOSTUZRKDCX-VXKWHMMOSA-N 2 0 354.542 2.247 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000247001350 549261542 /nfs/dbraw/zinc/26/15/42/549261542.db2.gz GQGWUIRSACDYID-RTBURBONSA-N 2 0 368.566 2.251 10 0 FEAERP C(C[NH+]1CCO[C@H]2CCCC[C@H]21)OCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247152761 549291920 /nfs/dbraw/zinc/29/19/20/549291920.db2.gz UIPWEEZTJSCMBX-WTGUMLROSA-N 2 0 352.519 2.290 10 0 FEAERP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247567635 549360088 /nfs/dbraw/zinc/36/00/88/549360088.db2.gz GUSGBMIIHABZFG-YQVWRLOYSA-N 2 0 353.551 2.191 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000247800532 549380924 /nfs/dbraw/zinc/38/09/24/549380924.db2.gz UYFVPONQXJKIKF-DYESRHJHSA-N 2 0 373.541 2.349 10 0 FEAERP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC000249741169 549622522 /nfs/dbraw/zinc/62/25/22/549622522.db2.gz IPEIKQCZTGKMLU-SJLPKXTDSA-N 2 0 360.502 2.226 10 0 FEAERP CCn1ccnc1CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583621387 570811003 /nfs/dbraw/zinc/81/10/03/570811003.db2.gz AFGHQWUQQGVYRY-IEBWSBKVSA-N 2 0 367.497 2.074 10 0 FEAERP COCC[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000169789532 672322748 /nfs/dbraw/zinc/32/27/48/672322748.db2.gz JHLUWOIQPYLPTA-MRXNPFEDSA-N 2 0 354.441 2.118 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000247440069 549333512 /nfs/dbraw/zinc/33/35/12/549333512.db2.gz RXWGZDYPBJEAIN-QFBILLFUSA-N 2 0 359.518 2.074 10 0 FEAERP CCOc1ccc(OCC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000106125429 543204454 /nfs/dbraw/zinc/20/44/54/543204454.db2.gz FRAQOQAUKMTNEZ-QGZVFWFLSA-N 2 0 350.503 2.489 10 0 FEAERP CC(C)N(C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000106126744 543205052 /nfs/dbraw/zinc/20/50/52/543205052.db2.gz BYODCIYNLCXICZ-SFHVURJKSA-N 2 0 361.530 2.453 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C[C@@H]1CC ZINC000150757976 544467926 /nfs/dbraw/zinc/46/79/26/544467926.db2.gz ZPNXTTFFAXVQRB-OALUTQOASA-N 2 0 368.566 2.107 10 0 FEAERP CC1CC[NH+](CCNC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000190692512 328224926 /nfs/dbraw/zinc/22/49/26/328224926.db2.gz OYTWVHURQSVVTJ-HXUWFJFHSA-N 2 0 373.545 2.277 10 0 FEAERP Cc1csc([C@H]2CN(CCCN3CC[NH+](C(C)C)CC3)CCO2)n1 ZINC000191468156 328267174 /nfs/dbraw/zinc/26/71/74/328267174.db2.gz YKFQSYOBBBCAPL-QGZVFWFLSA-N 2 0 352.548 2.241 10 0 FEAERP COCCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000121091313 326312667 /nfs/dbraw/zinc/31/26/67/326312667.db2.gz WWLDAFUOLRVNLR-KRWDZBQOSA-N 2 0 350.503 2.236 10 0 FEAERP C[NH+](C)[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000170835411 327101353 /nfs/dbraw/zinc/10/13/53/327101353.db2.gz OWOSGAXVAYREPR-INIZCTEOSA-N 2 0 350.532 2.306 10 0 FEAERP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170844387 327102282 /nfs/dbraw/zinc/10/22/82/327102282.db2.gz RZBSLNQVIQWVJV-LJQANCHMSA-N 2 0 372.513 2.020 10 0 FEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171900713 327168510 /nfs/dbraw/zinc/16/85/10/327168510.db2.gz KTYJRWAIBAOKAJ-LJQANCHMSA-N 2 0 374.529 2.397 10 0 FEAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171907203 327169608 /nfs/dbraw/zinc/16/96/08/327169608.db2.gz AROAXUWFEJQGOE-WOJBJXKFSA-N 2 0 356.514 2.041 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)[C@@H](C)C1 ZINC000158918355 545904854 /nfs/dbraw/zinc/90/48/54/545904854.db2.gz QFDODSOSQMXESP-WMZOPIPTSA-N 2 0 362.518 2.155 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC000172115151 546236906 /nfs/dbraw/zinc/23/69/06/546236906.db2.gz GEIMWAGKLORNLD-SFHVURJKSA-N 2 0 354.539 2.002 10 0 FEAERP COCCN1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C ZINC000176495943 546454274 /nfs/dbraw/zinc/45/42/74/546454274.db2.gz ZBGRBQYJIXORMS-KRWDZBQOSA-N 2 0 366.550 2.146 10 0 FEAERP C[NH+](C)[C@H](CNC(=O)CN1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000184960431 547907219 /nfs/dbraw/zinc/90/72/19/547907219.db2.gz DHBXUNKLKLXMRY-LJQANCHMSA-N 2 0 355.486 2.008 10 0 FEAERP COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000195122578 548581200 /nfs/dbraw/zinc/58/12/00/548581200.db2.gz DHEYMEQWKYMDTJ-MJGOQNOKSA-N 2 0 360.502 2.226 10 0 FEAERP CC[C@H]1CN(C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)CC[N@@H+]1CCOC ZINC000246489777 549145061 /nfs/dbraw/zinc/14/50/61/549145061.db2.gz RPWGRSYWBLFGNW-MOPGFXCFSA-N 2 0 368.566 2.107 10 0 FEAERP C[C@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246721954 549196806 /nfs/dbraw/zinc/19/68/06/549196806.db2.gz NGUJFTSNDNYERR-FGTMMUONSA-N 2 0 373.545 2.053 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000248453974 549441569 /nfs/dbraw/zinc/44/15/69/549441569.db2.gz LRGSICZVGZGPGB-GUDVDZBRSA-N 2 0 368.566 2.128 10 0 FEAERP CC[C@H]1CN(C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248461137 549443821 /nfs/dbraw/zinc/44/38/21/549443821.db2.gz UCQOCQNLHIMJHL-ROUUACIJSA-N 2 0 368.566 2.128 10 0 FEAERP CCN(C(=O)NC[C@H](C)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249274653 549575111 /nfs/dbraw/zinc/57/51/11/549575111.db2.gz CMHWQBLEHFPDKW-ICSRJNTNSA-N 2 0 374.529 2.013 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccco1 ZINC000262696343 549840018 /nfs/dbraw/zinc/84/00/18/549840018.db2.gz BDYXIBCSHRFMOP-DOTOQJQBSA-N 2 0 359.474 2.214 10 0 FEAERP COc1cc([C@H]([NH3+])CC[NH3+])c(Br)c(Br)c1O ZINC000396461802 558623326 /nfs/dbraw/zinc/62/33/26/558623326.db2.gz JCXLAWPOGRQTHH-ZCFIWIBFSA-N 2 0 354.042 2.274 10 0 FEAERP CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000072317311 541799934 /nfs/dbraw/zinc/79/99/34/541799934.db2.gz HDDYBPBBORAKQQ-QGZVFWFLSA-N 2 0 351.516 2.091 10 0 FEAERP O=C1CCCN1CCC1CC[NH+](C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063846418 205295582 /nfs/dbraw/zinc/29/55/82/205295582.db2.gz HXDBMIVYUXYVCQ-TZIWHRDSSA-N 2 0 363.546 2.090 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000113614933 543493514 /nfs/dbraw/zinc/49/35/14/543493514.db2.gz RPJKSKFEBDWEGA-HLAWJBBLSA-N 2 0 370.541 2.429 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000247471073 549338879 /nfs/dbraw/zinc/33/88/79/549338879.db2.gz RRDHBEPNCBCPAA-DOTOQJQBSA-N 2 0 370.921 2.104 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000247497140 549345477 /nfs/dbraw/zinc/34/54/77/549345477.db2.gz USKDJCYMVAWSFZ-WMZOPIPTSA-N 2 0 360.502 2.005 10 0 FEAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186437388 327961875 /nfs/dbraw/zinc/96/18/75/327961875.db2.gz UJOJURBWQOQWBS-QZTJIDSGSA-N 2 0 363.502 2.086 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092599811 325421323 /nfs/dbraw/zinc/42/13/23/325421323.db2.gz BUDBOFPXQSRUIL-KRWDZBQOSA-N 2 0 374.529 2.110 10 0 FEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000122050013 326382069 /nfs/dbraw/zinc/38/20/69/326382069.db2.gz AKGBWVZNADARFW-HBMCJLEFSA-N 2 0 373.541 2.043 10 0 FEAERP C[NH+](C)C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000163730424 327057524 /nfs/dbraw/zinc/05/75/24/327057524.db2.gz FCFDFMNBXUZNRC-IBGZPJMESA-N 2 0 359.514 2.078 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000170827391 327100941 /nfs/dbraw/zinc/10/09/41/327100941.db2.gz KYVWIGOAJNBCOD-PKOBYXMFSA-N 2 0 362.518 2.424 10 0 FEAERP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000170844821 327102099 /nfs/dbraw/zinc/10/20/99/327102099.db2.gz WJJHPJHLMUAXSN-LPHOPBHVSA-N 2 0 372.513 2.020 10 0 FEAERP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170843338 327102185 /nfs/dbraw/zinc/10/21/85/327102185.db2.gz OJUQGTNCFWYAIE-WBVHZDCISA-N 2 0 372.513 2.148 10 0 FEAERP COc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000170862286 327103312 /nfs/dbraw/zinc/10/33/12/327103312.db2.gz MAVINDGWSHYQFR-IEBWSBKVSA-N 2 0 360.502 2.178 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000171351244 327134236 /nfs/dbraw/zinc/13/42/36/327134236.db2.gz PMBAWMYZCWNIPP-VQTJNVASSA-N 2 0 358.530 2.335 10 0 FEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900716 327168665 /nfs/dbraw/zinc/16/86/65/327168665.db2.gz MMUHAIVPIVZTPK-IBGZPJMESA-N 2 0 374.529 2.397 10 0 FEAERP [NH3+]C1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCOCC1 ZINC000261880002 328826663 /nfs/dbraw/zinc/82/66/63/328826663.db2.gz PAJIJTITBHHSIP-MRXNPFEDSA-N 2 0 351.878 2.101 10 0 FEAERP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc3c(C)cccn23)ncn1 ZINC000174361083 546295669 /nfs/dbraw/zinc/29/56/69/546295669.db2.gz NXZQJKKZJUZZPA-OAHLLOKOSA-N 2 0 351.458 2.233 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000177014939 546524304 /nfs/dbraw/zinc/52/43/04/546524304.db2.gz XZWGSUXJDZMTLD-FQEVSTJZSA-N 2 0 358.530 2.385 10 0 FEAERP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246020131 549037404 /nfs/dbraw/zinc/03/74/04/549037404.db2.gz OJUQGTNCFWYAIE-NVXWUHKLSA-N 2 0 372.513 2.148 10 0 FEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246395513 549124206 /nfs/dbraw/zinc/12/42/06/549124206.db2.gz KZRVHIUUIMCLNZ-VQIMIIECSA-N 2 0 374.529 2.312 10 0 FEAERP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246517432 549151152 /nfs/dbraw/zinc/15/11/52/549151152.db2.gz OFKYVPOCTDVADY-RLLQIKCJSA-N 2 0 374.529 2.012 10 0 FEAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000246919685 549241884 /nfs/dbraw/zinc/24/18/84/549241884.db2.gz QNWKMQZWVQKJRB-HLAWJBBLSA-N 2 0 373.541 2.202 10 0 FEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000248845554 549512812 /nfs/dbraw/zinc/51/28/12/549512812.db2.gz RPWBIPGISBFWMV-ULRHQZHYSA-N 2 0 364.530 2.420 10 0 FEAERP Cc1cc(Br)ccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261768232 549753415 /nfs/dbraw/zinc/75/34/15/549753415.db2.gz VPBSPINWTZGUNO-FPMFFAJLSA-N 2 0 352.276 2.365 10 0 FEAERP [NH3+][C@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000262661963 549836432 /nfs/dbraw/zinc/83/64/32/549836432.db2.gz GPLMMPUIFUFCPF-SFTDATJTSA-N 2 0 367.493 2.248 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000183441758 672468368 /nfs/dbraw/zinc/46/83/68/672468368.db2.gz ILQTUKMNLGAJIT-IRXDYDNUSA-N 2 0 355.523 2.212 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000247470021 549338783 /nfs/dbraw/zinc/33/87/83/549338783.db2.gz RPJKSKFEBDWEGA-HMXCVIKNSA-N 2 0 370.541 2.429 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000247490723 549342467 /nfs/dbraw/zinc/34/24/67/549342467.db2.gz WVSKYKLZAFHYED-IAGOWNOFSA-N 2 0 368.591 2.376 10 0 FEAERP CCC[C@H](C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000129961291 544133430 /nfs/dbraw/zinc/13/34/30/544133430.db2.gz MDBGCBVQELNROM-DNVCBOLYSA-N 2 0 364.509 2.485 10 0 FEAERP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000151063333 544501297 /nfs/dbraw/zinc/50/12/97/544501297.db2.gz VXDCIPKRKHYACY-CQSZACIVSA-N 2 0 352.450 2.137 10 0 FEAERP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000152019470 544606793 /nfs/dbraw/zinc/60/67/93/544606793.db2.gz QLTCIFKSRMTKFT-PXNSSMCTSA-N 2 0 374.529 2.089 10 0 FEAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000183162471 327804814 /nfs/dbraw/zinc/80/48/14/327804814.db2.gz IBROTSUDSYEZDB-ZWOKBUDYSA-N 2 0 359.514 2.313 10 0 FEAERP C[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C1CC1 ZINC000190707553 328226388 /nfs/dbraw/zinc/22/63/88/328226388.db2.gz TVBXXXGBVWGPJX-AEFFLSMTSA-N 2 0 359.518 2.028 10 0 FEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000190915530 328239986 /nfs/dbraw/zinc/23/99/86/328239986.db2.gz OGEPESRBBLFLFG-PGYGNJIDSA-N 2 0 352.519 2.279 10 0 FEAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC000121071682 326311462 /nfs/dbraw/zinc/31/14/62/326311462.db2.gz JRKFTHNVVQXYTR-IBGZPJMESA-N 2 0 356.514 2.395 10 0 FEAERP COc1ccc(CN(C)C2CC[NH+](CCn3cccn3)CC2)c(OC)c1 ZINC000121188813 326320307 /nfs/dbraw/zinc/32/03/07/326320307.db2.gz OCVQVTVHMQSZEN-UHFFFAOYSA-N 2 0 358.486 2.497 10 0 FEAERP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000170941845 327108983 /nfs/dbraw/zinc/10/89/83/327108983.db2.gz CQQWAURZKJSKCS-UYAOXDASSA-N 2 0 364.530 2.068 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000173833171 327287771 /nfs/dbraw/zinc/28/77/71/327287771.db2.gz YDVREAURUOYPPE-VQTJNVASSA-N 2 0 356.514 2.313 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000174181928 327311243 /nfs/dbraw/zinc/31/12/43/327311243.db2.gz OCDMGYQOFUZJIV-ZWKOTPCHSA-N 2 0 368.485 2.344 10 0 FEAERP CC(C)N1CC[C@@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175191180 327378808 /nfs/dbraw/zinc/37/88/08/327378808.db2.gz LACLQPUMZCSRHC-WOJBJXKFSA-N 2 0 359.514 2.031 10 0 FEAERP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261872970 328826156 /nfs/dbraw/zinc/82/61/56/328826156.db2.gz OHRAOAXSAAHWRM-IRXDYDNUSA-N 2 0 359.514 2.289 10 0 FEAERP CC1CC[NH+](Cc2ccccc2CNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262322585 328858949 /nfs/dbraw/zinc/85/89/49/328858949.db2.gz RLRCFMHHMLNIKK-UHFFFAOYSA-N 2 0 359.514 2.290 10 0 FEAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158817559 545897746 /nfs/dbraw/zinc/89/77/46/545897746.db2.gz MOAMDYOCQVFJBR-PMACEKPBSA-N 2 0 369.513 2.075 10 0 FEAERP COc1cc(OC)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(OC)c1 ZINC000179517152 546969211 /nfs/dbraw/zinc/96/92/11/546969211.db2.gz JBWAYXAGZPTMOJ-OAHLLOKOSA-N 2 0 366.502 2.237 10 0 FEAERP COCCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000179517526 546970132 /nfs/dbraw/zinc/97/01/32/546970132.db2.gz ABVFYTZENLYSSQ-QGZVFWFLSA-N 2 0 350.503 2.236 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000194323263 548465726 /nfs/dbraw/zinc/46/57/26/548465726.db2.gz FULIDPYDNXTIEO-KRWDZBQOSA-N 2 0 359.518 2.353 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194445687 548483755 /nfs/dbraw/zinc/48/37/55/548483755.db2.gz FMPSZBQBCHONJA-YZGWKJHDSA-N 2 0 356.514 2.387 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000246582915 549167199 /nfs/dbraw/zinc/16/71/99/549167199.db2.gz ZUYSQSGPCIYIAN-MOPGFXCFSA-N 2 0 374.529 2.395 10 0 FEAERP C[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)[C@H](C)N1CCOCC1 ZINC000246869943 549232637 /nfs/dbraw/zinc/23/26/37/549232637.db2.gz DYVAOMQVNMPTFD-IKGGRYGDSA-N 2 0 371.485 2.342 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000247067638 549276418 /nfs/dbraw/zinc/27/64/18/549276418.db2.gz IUEBSDIRLXRZLD-VQIMIIECSA-N 2 0 359.518 2.074 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000247333615 549320391 /nfs/dbraw/zinc/32/03/91/549320391.db2.gz XBRLOWKOCLSTJN-CEXWTWQISA-N 2 0 368.566 2.030 10 0 FEAERP CCS[C@@H](C)c1noc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000248132526 549408907 /nfs/dbraw/zinc/40/89/07/549408907.db2.gz OPKPFQNBIVUQBZ-KBPBESRZSA-N 2 0 356.536 2.408 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)C[C@@H]1CC ZINC000248484702 549448807 /nfs/dbraw/zinc/44/88/07/549448807.db2.gz KFQFMZFVHIGABP-OALUTQOASA-N 2 0 368.566 2.393 10 0 FEAERP Cc1cc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261746708 549750594 /nfs/dbraw/zinc/75/05/94/549750594.db2.gz SRULHKFASUPFQH-CORIIIEPSA-N 2 0 352.276 2.365 10 0 FEAERP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)CCCC2)CC1 ZINC000261886632 549766122 /nfs/dbraw/zinc/76/61/22/549766122.db2.gz FYXOLDNNEWCIRX-XUVXKRRUSA-N 2 0 365.562 2.157 10 0 FEAERP CC(C)c1nc(CN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cs1 ZINC000072410012 670495789 /nfs/dbraw/zinc/49/57/89/670495789.db2.gz AJDZZVDYEHBJLF-HNNXBMFYSA-N 2 0 350.532 2.299 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000130028378 672069232 /nfs/dbraw/zinc/06/92/32/672069232.db2.gz ZSIVIOGWNKIWCC-DLBZAZTESA-N 2 0 355.523 2.070 10 0 FEAERP COc1ccc(Br)cc1C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782185 672322138 /nfs/dbraw/zinc/32/21/38/672322138.db2.gz BVKAXNJWKKVBTJ-AWEZNQCLSA-N 2 0 369.303 2.252 10 0 FEAERP C[C@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)[C@@H]1CCCO1 ZINC000183098538 672460185 /nfs/dbraw/zinc/46/01/85/672460185.db2.gz BGNABJIRIKYVDP-HOCLYGCPSA-N 2 0 366.531 2.471 10 0 FEAERP CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccccc3)C[C@H]2C(=O)NCC)CC1 ZINC000023158381 207835995 /nfs/dbraw/zinc/83/59/95/207835995.db2.gz PAUCVFSOFCHEQE-FPOVZHCZSA-N 2 0 372.557 2.230 10 0 FEAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000112549951 543451171 /nfs/dbraw/zinc/45/11/71/543451171.db2.gz RTYVTSRNPUQRNU-APWZRJJASA-N 2 0 361.530 2.325 10 0 FEAERP CCN(C)C(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000130351822 544148116 /nfs/dbraw/zinc/14/81/16/544148116.db2.gz BRUHSVJNESVLOA-FQEVSTJZSA-N 2 0 361.530 2.232 10 0 FEAERP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247513722 549349237 /nfs/dbraw/zinc/34/92/37/549349237.db2.gz QGSMYJPEVDVVRH-IRXDYDNUSA-N 2 0 362.543 2.450 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000155107972 544990494 /nfs/dbraw/zinc/99/04/94/544990494.db2.gz LDXIUOWRJIYHNX-IRXDYDNUSA-N 2 0 353.551 2.191 10 0 FEAERP CSC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187879766 328052166 /nfs/dbraw/zinc/05/21/66/328052166.db2.gz OIXIUUJLDFBNIT-OALUTQOASA-N 2 0 352.544 2.088 10 0 FEAERP C[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C1CC1 ZINC000190707517 328226281 /nfs/dbraw/zinc/22/62/81/328226281.db2.gz TVBXXXGBVWGPJX-SJLPKXTDSA-N 2 0 359.518 2.028 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000173471818 327259723 /nfs/dbraw/zinc/25/97/23/327259723.db2.gz BQADEWOKPAUVSK-LEWJYISDSA-N 2 0 370.541 2.133 10 0 FEAERP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000175500412 327396294 /nfs/dbraw/zinc/39/62/94/327396294.db2.gz HYUWONNSEKXOTJ-CYBMUJFWSA-N 2 0 354.445 2.351 10 0 FEAERP C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000175519732 327397305 /nfs/dbraw/zinc/39/73/05/327397305.db2.gz CEIWIVFSVDHETA-QGZVFWFLSA-N 2 0 371.485 2.345 10 0 FEAERP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCOCC1)c1ccccc1 ZINC000261695564 328812563 /nfs/dbraw/zinc/81/25/63/328812563.db2.gz IATATQOKTFCMFY-BHIYHBOVSA-N 2 0 359.514 2.378 10 0 FEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262716989 328883727 /nfs/dbraw/zinc/88/37/27/328883727.db2.gz VWACZPHPFZBBEJ-CXAGYDPISA-N 2 0 361.490 2.214 10 0 FEAERP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000170862943 546180945 /nfs/dbraw/zinc/18/09/45/546180945.db2.gz OTZSPHGLTHKXMB-FUHWJXTLSA-N 2 0 360.502 2.178 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000171865622 546228346 /nfs/dbraw/zinc/22/83/46/546228346.db2.gz IMTCBSVSOKWOEC-IBGZPJMESA-N 2 0 358.530 2.189 10 0 FEAERP c1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)ccc1CN1CC[NH+]2CCC[C@@H]2C1 ZINC000178641395 546825524 /nfs/dbraw/zinc/82/55/24/546825524.db2.gz FNHGOSTUZRKDCX-FGZHOGPDSA-N 2 0 354.542 2.247 10 0 FEAERP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(F)c1 ZINC000179525661 546970993 /nfs/dbraw/zinc/97/09/93/546970993.db2.gz FYOCCXIFZQSXRW-AWEZNQCLSA-N 2 0 352.450 2.137 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000179805743 547015161 /nfs/dbraw/zinc/01/51/61/547015161.db2.gz KLBXMTXXXCLCDX-LJQANCHMSA-N 2 0 374.529 2.049 10 0 FEAERP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000184900120 547895826 /nfs/dbraw/zinc/89/58/26/547895826.db2.gz WGGJMMJKKWUQKU-IBGZPJMESA-N 2 0 357.502 2.140 10 0 FEAERP CN1CC[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000245747852 548987693 /nfs/dbraw/zinc/98/76/93/548987693.db2.gz ANFWQCUQWJMVQV-IKGGRYGDSA-N 2 0 350.894 2.431 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000246797841 549215872 /nfs/dbraw/zinc/21/58/72/549215872.db2.gz AWAVEDPJYUPQLL-UXLLHSPISA-N 2 0 350.532 2.477 10 0 FEAERP [NH3+]C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000261845709 549761744 /nfs/dbraw/zinc/76/17/44/549761744.db2.gz LXJVNIAMMPMDMT-FQEVSTJZSA-N 2 0 357.498 2.009 10 0 FEAERP C[C@H](C(=O)NCCc1ccccc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261861212 549763259 /nfs/dbraw/zinc/76/32/59/549763259.db2.gz WJLICKVESLRPJJ-UIFIKXQLSA-N 2 0 351.494 2.408 10 0 FEAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)C2)c1 ZINC000261901912 549767762 /nfs/dbraw/zinc/76/77/62/549767762.db2.gz HTVLAPYYIPJZBX-RCOXNQKVSA-N 2 0 359.514 2.268 10 0 FEAERP [NH3+]C1(C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)CCOCC1 ZINC000261929926 549771190 /nfs/dbraw/zinc/77/11/90/549771190.db2.gz WBRHVOFTAOYEIS-KRWDZBQOSA-N 2 0 365.905 2.319 10 0 FEAERP CN1CC[NH2+]C[C@@H]1c1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000263228045 549887113 /nfs/dbraw/zinc/88/71/13/549887113.db2.gz NAOLIWSPUJQPLH-NVXWUHKLSA-N 2 0 359.449 2.164 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000130027760 672069580 /nfs/dbraw/zinc/06/95/80/672069580.db2.gz ZSIVIOGWNKIWCC-SJORKVTESA-N 2 0 355.523 2.070 10 0 FEAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111063 677516349 /nfs/dbraw/zinc/51/63/49/677516349.db2.gz CHLVJYOGGBAAFI-BZUAXINKSA-N 2 0 355.404 2.165 10 0 FEAERP CCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127861 543204830 /nfs/dbraw/zinc/20/48/30/543204830.db2.gz KYMJPRJSFHINQG-XLIONFOSSA-N 2 0 361.530 2.279 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000109947636 543344277 /nfs/dbraw/zinc/34/42/77/543344277.db2.gz SFSZVFVLVTYYBA-IBGZPJMESA-N 2 0 360.546 2.435 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117025989 543622056 /nfs/dbraw/zinc/62/20/56/543622056.db2.gz ORJPXLQDLYWGES-MOPGFXCFSA-N 2 0 362.518 2.042 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000247501532 549345982 /nfs/dbraw/zinc/34/59/82/549345982.db2.gz XPUFVUPZWNASEJ-UYAOXDASSA-N 2 0 358.530 2.044 10 0 FEAERP CC1CC[NH+](C2CCC(NC(=O)N3CCO[C@H](C[NH+](C)C)C3)CC2)CC1 ZINC000152743244 544690763 /nfs/dbraw/zinc/69/07/63/544690763.db2.gz IWJBPRCGPDZFIX-CTWPCTMYSA-N 2 0 366.550 2.002 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000247542703 549353604 /nfs/dbraw/zinc/35/36/04/549353604.db2.gz YOCXLLTYCBGGBZ-HOCLYGCPSA-N 2 0 357.433 2.390 10 0 FEAERP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000192835023 328342816 /nfs/dbraw/zinc/34/28/16/328342816.db2.gz PSWROTMJJQPSGI-OALUTQOASA-N 2 0 351.560 2.172 10 0 FEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170829341 327100917 /nfs/dbraw/zinc/10/09/17/327100917.db2.gz DIXXTTOCTZJHBG-SFHVURJKSA-N 2 0 362.518 2.253 10 0 FEAERP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171905501 327169374 /nfs/dbraw/zinc/16/93/74/327169374.db2.gz QGSMYJPEVDVVRH-IAGOWNOFSA-N 2 0 362.543 2.450 10 0 FEAERP CN(c1ccccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000245539910 548941544 /nfs/dbraw/zinc/94/15/44/548941544.db2.gz LVLHOVYIBUWMQY-OAQYLSRUSA-N 2 0 372.557 2.124 10 0 FEAERP CN1CC[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000245747844 548987146 /nfs/dbraw/zinc/98/71/46/548987146.db2.gz ANFWQCUQWJMVQV-BRWVUGGUSA-N 2 0 350.894 2.431 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C[C@@H]1CC ZINC000247116452 549284909 /nfs/dbraw/zinc/28/49/09/549284909.db2.gz NQGHDPAIIUIPKN-OALUTQOASA-N 2 0 368.566 2.251 10 0 FEAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)cc2)CC1 ZINC000247337070 549321796 /nfs/dbraw/zinc/32/17/96/549321796.db2.gz NGZIYUVXZPIGBF-XLIONFOSSA-N 2 0 358.530 2.287 10 0 FEAERP Cn1cc(C[NH+]2CCC3(CC[C@H](C[N@H+](C)Cc4ccncc4)O3)CC2)cn1 ZINC000257192167 549715672 /nfs/dbraw/zinc/71/56/72/549715672.db2.gz SSKZIHVLTAQPHV-HXUWFJFHSA-N 2 0 369.513 2.461 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])COC)c1ccc(C(F)(F)F)cc1 ZINC000262171592 549795381 /nfs/dbraw/zinc/79/53/81/549795381.db2.gz AUZDGYQNZNCMBX-HUUCEWRRSA-N 2 0 361.408 2.178 10 0 FEAERP O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328625109 553797814 /nfs/dbraw/zinc/79/78/14/553797814.db2.gz CSZOERSHWLLDGQ-HOTGVXAUSA-N 2 0 365.568 2.314 10 0 FEAERP COCCN1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079550 672070290 /nfs/dbraw/zinc/07/02/90/672070290.db2.gz FAZZVMJHHCTQRG-DLBZAZTESA-N 2 0 355.523 2.334 10 0 FEAERP COCCN1CCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079335 672070403 /nfs/dbraw/zinc/07/04/03/672070403.db2.gz FAZZVMJHHCTQRG-IAGOWNOFSA-N 2 0 355.523 2.334 10 0 FEAERP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000180210005 672410853 /nfs/dbraw/zinc/41/08/53/672410853.db2.gz DBUGLASHBWQRQE-OFLPRAFFSA-N 2 0 355.523 2.259 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN(C)Cc2ccc(F)cc2)CC1 ZINC000181689795 672429587 /nfs/dbraw/zinc/42/95/87/672429587.db2.gz RYYCXPNPXSFWOC-KRWDZBQOSA-N 2 0 351.510 2.282 10 0 FEAERP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105113806 543159407 /nfs/dbraw/zinc/15/94/07/543159407.db2.gz LDGAWMDZJGKQMD-SFHVURJKSA-N 2 0 360.502 2.007 10 0 FEAERP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105205421 543164216 /nfs/dbraw/zinc/16/42/16/543164216.db2.gz FWZBRUSAFVNHFM-GOSISDBHSA-N 2 0 360.502 2.007 10 0 FEAERP CC[N@H+](CC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000153420566 544773348 /nfs/dbraw/zinc/77/33/48/544773348.db2.gz KWJQLEPVFQVJMP-OAQYLSRUSA-N 2 0 373.541 2.375 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190692073 328224908 /nfs/dbraw/zinc/22/49/08/328224908.db2.gz KDYMPJOJMWAWOY-HKUYNNGSSA-N 2 0 361.534 2.275 10 0 FEAERP CC1CC[NH+](CCNC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000190692533 328224954 /nfs/dbraw/zinc/22/49/54/328224954.db2.gz OYTWVHURQSVVTJ-FQEVSTJZSA-N 2 0 373.545 2.277 10 0 FEAERP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)CC1 ZINC000117488668 326062715 /nfs/dbraw/zinc/06/27/15/326062715.db2.gz AGXBNHBNRHZXQK-SFHVURJKSA-N 2 0 354.539 2.003 10 0 FEAERP CCC[C@@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000129960637 326549165 /nfs/dbraw/zinc/54/91/65/326549165.db2.gz MDBGCBVQELNROM-KXBFYZLASA-N 2 0 364.509 2.485 10 0 FEAERP CCC[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000130956382 326566410 /nfs/dbraw/zinc/56/64/10/326566410.db2.gz GWAWUYCLDBCESA-VQTJNVASSA-N 2 0 361.530 2.279 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000171351186 327134145 /nfs/dbraw/zinc/13/41/45/327134145.db2.gz ICRDFNAHWVMXGT-GOSISDBHSA-N 2 0 362.518 2.301 10 0 FEAERP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)sc2n1 ZINC000171651169 327151755 /nfs/dbraw/zinc/15/17/55/327151755.db2.gz BWCYQDFJAXXCDT-CQSZACIVSA-N 2 0 370.482 2.097 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000194324134 548465175 /nfs/dbraw/zinc/46/51/75/548465175.db2.gz FULIDPYDNXTIEO-QGZVFWFLSA-N 2 0 359.518 2.353 10 0 FEAERP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246020125 549038100 /nfs/dbraw/zinc/03/81/00/549038100.db2.gz OJUQGTNCFWYAIE-DOTOQJQBSA-N 2 0 372.513 2.148 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000246332161 549107802 /nfs/dbraw/zinc/10/78/02/549107802.db2.gz LDXIUOWRJIYHNX-IAGOWNOFSA-N 2 0 353.551 2.191 10 0 FEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000246628770 549177704 /nfs/dbraw/zinc/17/77/04/549177704.db2.gz NXESBYXTYDLUAO-QZTJIDSGSA-N 2 0 368.566 2.033 10 0 FEAERP CCOCCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000247201095 549298118 /nfs/dbraw/zinc/29/81/18/549298118.db2.gz TUKZBGCJFATQOM-FPOVZHCZSA-N 2 0 373.541 2.468 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)C1 ZINC000247373095 549325797 /nfs/dbraw/zinc/32/57/97/549325797.db2.gz PGRXBLFOURCIPM-ZIFCJYIRSA-N 2 0 359.518 2.199 10 0 FEAERP COc1ccccc1C[N@@H+]1C[C@@H](C(=O)NC2CC2)C2(C1)CC[NH+](C)CC2 ZINC000257174906 549711548 /nfs/dbraw/zinc/71/15/48/549711548.db2.gz LVEBGJXZEREBPQ-SFHVURJKSA-N 2 0 357.498 2.118 10 0 FEAERP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261672391 549741710 /nfs/dbraw/zinc/74/17/10/549741710.db2.gz KMZLHCJWHBYNQL-QUCCMNQESA-N 2 0 373.522 2.111 10 0 FEAERP C[C@@H](C(=O)NCCc1cccs1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261691599 549742963 /nfs/dbraw/zinc/74/29/63/549742963.db2.gz IZDKLWDIAZLSMQ-WDYCEAGBSA-N 2 0 357.523 2.470 10 0 FEAERP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261777753 549754180 /nfs/dbraw/zinc/75/41/80/549754180.db2.gz HEHRDQOOIIYFAT-IRXDYDNUSA-N 2 0 359.514 2.289 10 0 FEAERP [NH3+]C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000261845711 549761389 /nfs/dbraw/zinc/76/13/89/549761389.db2.gz LXJVNIAMMPMDMT-HXUWFJFHSA-N 2 0 357.498 2.009 10 0 FEAERP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(CO)o2)C[C@@H]2CCCO2)CC1 ZINC000012385172 207368885 /nfs/dbraw/zinc/36/88/85/207368885.db2.gz SVIZARXCZVKTBI-SFHVURJKSA-N 2 0 366.502 2.111 10 0 FEAERP CCC[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000094132728 542953066 /nfs/dbraw/zinc/95/30/66/542953066.db2.gz PXIJIUOJJJZCSQ-GOSISDBHSA-N 2 0 360.502 2.181 10 0 FEAERP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2nccn2CC(F)(F)F)ncn1 ZINC000109070163 543313048 /nfs/dbraw/zinc/31/30/48/543313048.db2.gz NPKQVXVZLGOYFN-GFCCVEGCSA-N 2 0 369.395 2.036 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000113614707 543492764 /nfs/dbraw/zinc/49/27/64/543492764.db2.gz NSCWBESUHGRISF-IEBWSBKVSA-N 2 0 374.529 2.395 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)[C@H](C)C1 ZINC000247458075 549336380 /nfs/dbraw/zinc/33/63/80/549336380.db2.gz UDTOBGBMGIFMKG-AKHDSKFASA-N 2 0 368.566 2.151 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000132252181 544224287 /nfs/dbraw/zinc/22/42/87/544224287.db2.gz WVSKYKLZAFHYED-SJORKVTESA-N 2 0 368.591 2.376 10 0 FEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000150778475 544469597 /nfs/dbraw/zinc/46/95/97/544469597.db2.gz KZRVHIUUIMCLNZ-LPHOPBHVSA-N 2 0 374.529 2.312 10 0 FEAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000171843596 327165000 /nfs/dbraw/zinc/16/50/00/327165000.db2.gz GJVYMJRVRXFDKF-INIZCTEOSA-N 2 0 362.518 2.305 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000174440252 327327107 /nfs/dbraw/zinc/32/71/07/327327107.db2.gz PTYNIXXLSAVLDY-FUHWJXTLSA-N 2 0 360.502 2.178 10 0 FEAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000176687251 546476418 /nfs/dbraw/zinc/47/64/18/546476418.db2.gz UPEXVXYQPLWAHD-FQEVSTJZSA-N 2 0 361.530 2.165 10 0 FEAERP CC[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000181802715 547384218 /nfs/dbraw/zinc/38/42/18/547384218.db2.gz JXNPIKGQOOJLHN-MOPGFXCFSA-N 2 0 368.566 2.129 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000245540884 548942388 /nfs/dbraw/zinc/94/23/88/548942388.db2.gz PSJVUGFAZXPKGO-QFBILLFUSA-N 2 0 359.518 2.326 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000245664317 548968971 /nfs/dbraw/zinc/96/89/71/548968971.db2.gz DOHPLVYFJRZRCH-OALUTQOASA-N 2 0 374.529 2.395 10 0 FEAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246504663 549148781 /nfs/dbraw/zinc/14/87/81/549148781.db2.gz UJQCWWQNRBVDQP-SFTDATJTSA-N 2 0 370.541 2.431 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000246582920 549167696 /nfs/dbraw/zinc/16/76/96/549167696.db2.gz ZUYSQSGPCIYIAN-OALUTQOASA-N 2 0 374.529 2.395 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000246747752 549203341 /nfs/dbraw/zinc/20/33/41/549203341.db2.gz BFOVYWITFCFSCN-TZIWHRDSSA-N 2 0 372.557 2.434 10 0 FEAERP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249093079 549549015 /nfs/dbraw/zinc/54/90/15/549549015.db2.gz DXOIAWGJRQKARN-JKSUJKDBSA-N 2 0 368.543 2.176 10 0 FEAERP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000251667616 549651276 /nfs/dbraw/zinc/65/12/76/549651276.db2.gz LNZOMRULBHLBTA-VQTJNVASSA-N 2 0 356.514 2.387 10 0 FEAERP C[C@H](C(=O)NCCc1cccs1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261691595 549743287 /nfs/dbraw/zinc/74/32/87/549743287.db2.gz IZDKLWDIAZLSMQ-SUMDDJOVSA-N 2 0 357.523 2.470 10 0 FEAERP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)nc2)CC1 ZINC000262036066 549781998 /nfs/dbraw/zinc/78/19/98/549781998.db2.gz XYGYJKCPXOZPIO-AQNXPRMDSA-N 2 0 373.545 2.181 10 0 FEAERP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000385663299 558606489 /nfs/dbraw/zinc/60/64/89/558606489.db2.gz LBVISKMCDNULIU-VNTMZGSJSA-N 2 0 360.498 2.191 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000194169992 672750423 /nfs/dbraw/zinc/75/04/23/672750423.db2.gz KOLONAQNJFCTJG-QGZVFWFLSA-N 2 0 350.482 2.383 10 0 FEAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000247530683 672851519 /nfs/dbraw/zinc/85/15/19/672851519.db2.gz OZGVRMHRYVPROW-BBWFWOEESA-N 2 0 355.523 2.475 10 0 FEAERP COc1ccc(C[NH2+]CCCSC)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000011842381 207326609 /nfs/dbraw/zinc/32/66/09/207326609.db2.gz CMUFRDIZVFRWGQ-QGZVFWFLSA-N 2 0 368.543 2.373 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000106126228 543204821 /nfs/dbraw/zinc/20/48/21/543204821.db2.gz LPUURABJVNXLIM-MSOLQXFVSA-N 2 0 361.530 2.058 10 0 FEAERP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106912569 543254560 /nfs/dbraw/zinc/25/45/60/543254560.db2.gz OOTRSZHUVYGECV-FQEVSTJZSA-N 2 0 369.509 2.416 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000113591855 543491731 /nfs/dbraw/zinc/49/17/31/543491731.db2.gz LCXRCEDBRDFZHD-YLJYHZDGSA-N 2 0 356.514 2.313 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)[C@H](C)C1 ZINC000115852481 543590506 /nfs/dbraw/zinc/59/05/06/543590506.db2.gz JNTGDXQFATVCIL-XWSJACJDSA-N 2 0 366.550 2.002 10 0 FEAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(OC)c1OC ZINC000121140085 326316168 /nfs/dbraw/zinc/31/61/68/326316168.db2.gz XWQGHTRTPJIMDA-OAHLLOKOSA-N 2 0 366.502 2.237 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000170827395 327100898 /nfs/dbraw/zinc/10/08/98/327100898.db2.gz KYVWIGOAJNBCOD-IEBWSBKVSA-N 2 0 362.518 2.424 10 0 FEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170829349 327101119 /nfs/dbraw/zinc/10/11/19/327101119.db2.gz JNNJBNAIWCYXOX-SFHVURJKSA-N 2 0 362.518 2.253 10 0 FEAERP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)c(C)c2)CC1 ZINC000170874733 327104338 /nfs/dbraw/zinc/10/43/38/327104338.db2.gz SXRVQPLUHLEBMM-SFHVURJKSA-N 2 0 359.518 2.305 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000171994141 327174921 /nfs/dbraw/zinc/17/49/21/327174921.db2.gz XQEZHVRXPZTXHT-GJZGRUSLSA-N 2 0 359.474 2.217 10 0 FEAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000174623762 546299695 /nfs/dbraw/zinc/29/96/95/546299695.db2.gz QNWKMQZWVQKJRB-HMXCVIKNSA-N 2 0 373.541 2.202 10 0 FEAERP C(C[NH+]1CCO[C@H]2CCCC[C@H]21)OCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000178613043 546819349 /nfs/dbraw/zinc/81/93/49/546819349.db2.gz UIPWEEZTJSCMBX-YRPNKDGESA-N 2 0 352.519 2.290 10 0 FEAERP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000184900104 547896160 /nfs/dbraw/zinc/89/61/60/547896160.db2.gz WGGJMMJKKWUQKU-LJQANCHMSA-N 2 0 357.502 2.140 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000246360373 549114026 /nfs/dbraw/zinc/11/40/26/549114026.db2.gz PTYNIXXLSAVLDY-AEFFLSMTSA-N 2 0 360.502 2.178 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000246457563 549137905 /nfs/dbraw/zinc/13/79/05/549137905.db2.gz PPAHLGKPFOITAH-LPHOPBHVSA-N 2 0 357.502 2.176 10 0 FEAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000246509173 549149702 /nfs/dbraw/zinc/14/97/02/549149702.db2.gz UPTIYLNEASQJSA-PXNSSMCTSA-N 2 0 374.529 2.191 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)[NH+](C)C)c1 ZINC000246568413 549164091 /nfs/dbraw/zinc/16/40/91/549164091.db2.gz ZXROHYIWHWSEAP-HKUYNNGSSA-N 2 0 360.502 2.178 10 0 FEAERP COc1cccc([C@H](CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)[NH+](C)C)c1 ZINC000246756009 549205520 /nfs/dbraw/zinc/20/55/20/549205520.db2.gz BORDKEVOKFXVQV-LZQZEXGQSA-N 2 0 362.518 2.326 10 0 FEAERP COc1cccc([C@H](CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)[NH+](C)C)c1 ZINC000246755999 549205855 /nfs/dbraw/zinc/20/58/55/549205855.db2.gz BORDKEVOKFXVQV-IPELMVKDSA-N 2 0 362.518 2.326 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1CC ZINC000246924516 549243471 /nfs/dbraw/zinc/24/34/71/549243471.db2.gz BKEQHJYJTMECMR-MOPGFXCFSA-N 2 0 368.566 2.249 10 0 FEAERP CCC(CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)[NH+]1CCOCC1 ZINC000247325997 549318971 /nfs/dbraw/zinc/31/89/71/549318971.db2.gz MSZVQPVGPJEUGE-NEWSRXKRSA-N 2 0 368.566 2.151 10 0 FEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000248629618 549471482 /nfs/dbraw/zinc/47/14/82/549471482.db2.gz WAVGIFGLJCSKGV-AZUAARDMSA-N 2 0 359.514 2.186 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000249234018 549572309 /nfs/dbraw/zinc/57/23/09/549572309.db2.gz VVGVKCJORJAGJN-MSOLQXFVSA-N 2 0 372.513 2.080 10 0 FEAERP COCc1ccc(CNC(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261691704 549743324 /nfs/dbraw/zinc/74/33/24/549743324.db2.gz JBBHPRUHYCGUBO-RTWAWAEBSA-N 2 0 367.493 2.124 10 0 FEAERP c1cc2nc(c1)C[NH2+][C@@H]1CCCC[C@H]1NCC[NH2+][C@@H]1CCCC[C@H]1NC2 ZINC000022449878 539695147 /nfs/dbraw/zinc/69/51/47/539695147.db2.gz MTQZSJFDXWEENV-XRXFAXGQSA-N 2 0 357.546 2.076 10 0 in-man FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000106126538 543204537 /nfs/dbraw/zinc/20/45/37/543204537.db2.gz ZPPAUBHFBXEYHP-ROUUACIJSA-N 2 0 373.541 2.379 10 0 FEAERP CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180620374 327694106 /nfs/dbraw/zinc/69/41/06/327694106.db2.gz YDTLLQXHGOQYDM-RDJZCZTQSA-N 2 0 357.502 2.447 10 0 FEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190692057 328224881 /nfs/dbraw/zinc/22/48/81/328224881.db2.gz KDYMPJOJMWAWOY-IEBWSBKVSA-N 2 0 361.534 2.275 10 0 FEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191904392 328287968 /nfs/dbraw/zinc/28/79/68/328287968.db2.gz SSCRNWXJEDKWMQ-QGZVFWFLSA-N 2 0 367.534 2.125 10 0 FEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000193122169 328358804 /nfs/dbraw/zinc/35/88/04/328358804.db2.gz PALDNMIFVBPFPD-GOSISDBHSA-N 2 0 362.518 2.425 10 0 FEAERP CC[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC000117479533 326062653 /nfs/dbraw/zinc/06/26/53/326062653.db2.gz KVESLMOLWFHWDJ-LJQANCHMSA-N 2 0 362.518 2.000 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000117478585 326062663 /nfs/dbraw/zinc/06/26/63/326062663.db2.gz QIWQJHINHFMCEK-LJQANCHMSA-N 2 0 368.566 2.251 10 0 FEAERP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170843341 327102160 /nfs/dbraw/zinc/10/21/60/327102160.db2.gz OJUQGTNCFWYAIE-RDJZCZTQSA-N 2 0 372.513 2.148 10 0 FEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171900354 327168606 /nfs/dbraw/zinc/16/86/06/327168606.db2.gz HUMSWCWTPXXQET-HXUWFJFHSA-N 2 0 356.514 2.449 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000174130433 327307730 /nfs/dbraw/zinc/30/77/30/327307730.db2.gz CWJMPYYDMBBGGK-VQTJNVASSA-N 2 0 371.529 2.314 10 0 FEAERP C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000175519713 327397333 /nfs/dbraw/zinc/39/73/33/327397333.db2.gz CEIWIVFSVDHETA-KRWDZBQOSA-N 2 0 371.485 2.345 10 0 FEAERP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000261988647 328833656 /nfs/dbraw/zinc/83/36/56/328833656.db2.gz SLWBKFITKPWJIF-MOPGFXCFSA-N 2 0 373.545 2.028 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])COC)c1ccc(C(F)(F)F)cc1 ZINC000262171596 328848073 /nfs/dbraw/zinc/84/80/73/328848073.db2.gz AUZDGYQNZNCMBX-LSDHHAIUSA-N 2 0 361.408 2.178 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCCC2CC[NH+](CC)CC2)C[C@H]1CC ZINC000175952178 546378932 /nfs/dbraw/zinc/37/89/32/546378932.db2.gz SHOSWAZHWUCIQR-LJQANCHMSA-N 2 0 368.566 2.251 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000181778842 547379086 /nfs/dbraw/zinc/37/90/86/547379086.db2.gz RJHOYDBBHZNYFV-SJLPKXTDSA-N 2 0 370.582 2.087 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000181778801 547379089 /nfs/dbraw/zinc/37/90/89/547379089.db2.gz RJHOYDBBHZNYFV-AEFFLSMTSA-N 2 0 370.582 2.087 10 0 FEAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000182955853 547578755 /nfs/dbraw/zinc/57/87/55/547578755.db2.gz KJUUMVCJTMXUFG-GOSISDBHSA-N 2 0 364.921 2.402 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184834710 547884971 /nfs/dbraw/zinc/88/49/71/547884971.db2.gz UCQOCQNLHIMJHL-QZTJIDSGSA-N 2 0 368.566 2.128 10 0 FEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000246628789 549177901 /nfs/dbraw/zinc/17/79/01/549177901.db2.gz NXESBYXTYDLUAO-ZWKOTPCHSA-N 2 0 368.566 2.033 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000246779112 549210242 /nfs/dbraw/zinc/21/02/42/549210242.db2.gz BDUCJJOBULNFSR-CTNGQTDRSA-N 2 0 370.541 2.284 10 0 FEAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000246831733 549223987 /nfs/dbraw/zinc/22/39/87/549223987.db2.gz CTOQFUQCGAAYQB-HLIPFELVSA-N 2 0 356.514 2.311 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)[C@@H](C)C1 ZINC000247272221 549309541 /nfs/dbraw/zinc/30/95/41/549309541.db2.gz RKGKOTJMQKZZDM-OTWHNJEPSA-N 2 0 366.550 2.003 10 0 FEAERP CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000247582275 549362276 /nfs/dbraw/zinc/36/22/76/549362276.db2.gz IOGQZIWXMTXSBQ-RHSMWYFYSA-N 2 0 369.469 2.209 10 0 FEAERP CC(C)OC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247780317 549380908 /nfs/dbraw/zinc/38/09/08/549380908.db2.gz XLTOMJROYMAUHQ-LEWJYISDSA-N 2 0 364.530 2.150 10 0 FEAERP COc1ccc(NC(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261625682 549735622 /nfs/dbraw/zinc/73/56/22/549735622.db2.gz DKFHHLHDLNAAOK-AEFFLSMTSA-N 2 0 369.465 2.317 10 0 FEAERP O=C(CC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1)N1CC[NH2+]CC1 ZINC000262152237 549793270 /nfs/dbraw/zinc/79/32/70/549793270.db2.gz PHCAGZPFRRILOF-GOSISDBHSA-N 2 0 371.460 2.175 10 0 FEAERP CC(C)c1cc(N2CC[NH+]3CCC[C@H]3C2)nc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000302766502 553731600 /nfs/dbraw/zinc/73/16/00/553731600.db2.gz LSXARSCEXQZMQC-ROUUACIJSA-N 2 0 370.545 2.169 10 0 FEAERP CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000098178627 209205636 /nfs/dbraw/zinc/20/56/36/209205636.db2.gz FKSNSQGCSOBQTJ-SFHVURJKSA-N 2 0 365.543 2.480 10 0 FEAERP Cc1cc(=O)n2c(n1)NC(NCC[NH+]1CCCCC1)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000009289481 207263787 /nfs/dbraw/zinc/26/37/87/207263787.db2.gz DFZROZILPGRGAB-SJLPKXTDSA-N 2 0 370.501 2.264 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000247440077 549333496 /nfs/dbraw/zinc/33/34/96/549333496.db2.gz RXWGZDYPBJEAIN-VQIMIIECSA-N 2 0 359.518 2.074 10 0 FEAERP C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189895229 328174603 /nfs/dbraw/zinc/17/46/03/328174603.db2.gz DTOUQIWCLUCPEY-KBXCAEBGSA-N 2 0 350.426 2.062 10 0 FEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000190686673 328224753 /nfs/dbraw/zinc/22/47/53/328224753.db2.gz AZGIYWIJOSXHIR-FQEVSTJZSA-N 2 0 373.545 2.421 10 0 FEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000119570577 326176530 /nfs/dbraw/zinc/17/65/30/326176530.db2.gz AAVGQLDBZFYQFB-OAQYLSRUSA-N 2 0 372.557 2.284 10 0 FEAERP COC(=O)c1oc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121004510 326305597 /nfs/dbraw/zinc/30/55/97/326305597.db2.gz MUKHOHHCRXVSAO-CABCVRRESA-N 2 0 352.475 2.460 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000121100293 326313567 /nfs/dbraw/zinc/31/35/67/326313567.db2.gz POVYPNIRUSZFLF-MRXNPFEDSA-N 2 0 357.502 2.007 10 0 FEAERP C[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCOCC1 ZINC000132855930 326599092 /nfs/dbraw/zinc/59/90/92/326599092.db2.gz BSHOLYADVMGWFS-GOSISDBHSA-N 2 0 360.546 2.027 10 0 FEAERP COc1cccc([C@H](CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)[NH+](C)C)c1 ZINC000162503829 327027313 /nfs/dbraw/zinc/02/73/13/327027313.db2.gz BORDKEVOKFXVQV-SNRMKQJTSA-N 2 0 362.518 2.326 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCCC2CCCCC2)CC1 ZINC000170941695 327108587 /nfs/dbraw/zinc/10/85/87/327108587.db2.gz OHJZOZYMPCWCRU-KRWDZBQOSA-N 2 0 353.551 2.098 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000173753909 327281276 /nfs/dbraw/zinc/28/12/76/327281276.db2.gz ZUYSQSGPCIYIAN-RBUKOAKNSA-N 2 0 374.529 2.395 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000173753891 327281330 /nfs/dbraw/zinc/28/13/30/327281330.db2.gz ZUYSQSGPCIYIAN-RTBURBONSA-N 2 0 374.529 2.395 10 0 FEAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NCCCN(C)c1ccccc1 ZINC000178303425 546771806 /nfs/dbraw/zinc/77/18/06/546771806.db2.gz WJOASTVIQUUBMP-FQEVSTJZSA-N 2 0 369.513 2.299 10 0 FEAERP CCC[C@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000179547161 546975455 /nfs/dbraw/zinc/97/54/55/546975455.db2.gz LTPHYRCFJHZQCN-HXUWFJFHSA-N 2 0 360.546 2.435 10 0 FEAERP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC000195122111 548580679 /nfs/dbraw/zinc/58/06/79/548580679.db2.gz IPEIKQCZTGKMLU-WMZOPIPTSA-N 2 0 360.502 2.226 10 0 FEAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247063415 549274657 /nfs/dbraw/zinc/27/46/57/549274657.db2.gz XOEQKVRDTDRSLG-LEWJYISDSA-N 2 0 373.541 2.423 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)[C@@H](C)C1 ZINC000247169927 549294084 /nfs/dbraw/zinc/29/40/84/549294084.db2.gz JNTGDXQFATVCIL-RDGPPVDQSA-N 2 0 366.550 2.002 10 0 FEAERP [NH3+][C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780686 549755142 /nfs/dbraw/zinc/75/51/42/549755142.db2.gz MZFLDTVIXRDPKX-IFMALSPDSA-N 2 0 371.525 2.255 10 0 FEAERP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000385663278 558606557 /nfs/dbraw/zinc/60/65/57/558606557.db2.gz LBVISKMCDNULIU-FUMNGEBKSA-N 2 0 360.498 2.191 10 0 FEAERP COc1ccc(C[NH2+]CCCSC)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000011842382 207326043 /nfs/dbraw/zinc/32/60/43/207326043.db2.gz CMUFRDIZVFRWGQ-KRWDZBQOSA-N 2 0 368.543 2.373 10 0 FEAERP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105114129 543158932 /nfs/dbraw/zinc/15/89/32/543158932.db2.gz ISLLRWIPZRHEDC-SFHVURJKSA-N 2 0 360.502 2.007 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000106126292 543204507 /nfs/dbraw/zinc/20/45/07/543204507.db2.gz VWLBERABCBDAST-CYBMUJFWSA-N 2 0 371.884 2.442 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000112217214 543434920 /nfs/dbraw/zinc/43/49/20/543434920.db2.gz DDEBSPBJGOTUOL-MRXNPFEDSA-N 2 0 354.564 2.084 10 0 FEAERP C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000116791102 543615844 /nfs/dbraw/zinc/61/58/44/543615844.db2.gz LEOWLVRVVWWQPT-GHTZIAJQSA-N 2 0 373.541 2.119 10 0 FEAERP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)CC[N@@H+]1CCOC ZINC000130694853 544161557 /nfs/dbraw/zinc/16/15/57/544161557.db2.gz RPWGRSYWBLFGNW-RBUKOAKNSA-N 2 0 368.566 2.107 10 0 FEAERP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190647053 328221730 /nfs/dbraw/zinc/22/17/30/328221730.db2.gz AZKCSGRHJDGSJG-QGZVFWFLSA-N 2 0 353.470 2.137 10 0 FEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190709947 328226861 /nfs/dbraw/zinc/22/68/61/328226861.db2.gz OSPNCIFVDNNUBR-UXHICEINSA-N 2 0 373.545 2.419 10 0 FEAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1CCOC ZINC000117482909 326062558 /nfs/dbraw/zinc/06/25/58/326062558.db2.gz NORPHYSAXIAYLO-QGZVFWFLSA-N 2 0 354.539 2.002 10 0 FEAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(OC)c1OC ZINC000121139956 326316210 /nfs/dbraw/zinc/31/62/10/326316210.db2.gz XWQGHTRTPJIMDA-HNNXBMFYSA-N 2 0 366.502 2.237 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000170941844 327108987 /nfs/dbraw/zinc/10/89/87/327108987.db2.gz HOSJUITULOFYQS-QAPCUYQASA-N 2 0 370.921 2.104 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000171994142 327174859 /nfs/dbraw/zinc/17/48/59/327174859.db2.gz XQEZHVRXPZTXHT-CABCVRRESA-N 2 0 359.474 2.217 10 0 FEAERP CCC(CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000156988888 545684744 /nfs/dbraw/zinc/68/47/44/545684744.db2.gz MSZVQPVGPJEUGE-WDSOQIARSA-N 2 0 368.566 2.151 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000176893770 546501965 /nfs/dbraw/zinc/50/19/65/546501965.db2.gz JUFJXMILTZXAQG-GOSISDBHSA-N 2 0 373.541 2.447 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000181429859 547314362 /nfs/dbraw/zinc/31/43/62/547314362.db2.gz BBXTUEUYBSYKIG-IBGZPJMESA-N 2 0 366.550 2.005 10 0 FEAERP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000246172411 549068794 /nfs/dbraw/zinc/06/87/94/549068794.db2.gz FGDVKZMMLPCBJY-WOJBJXKFSA-N 2 0 359.514 2.004 10 0 FEAERP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246260712 549091822 /nfs/dbraw/zinc/09/18/22/549091822.db2.gz GHCQZLKJPBQZHP-XLAORIBOSA-N 2 0 353.551 2.189 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000246965018 549253198 /nfs/dbraw/zinc/25/31/98/549253198.db2.gz BTGYIKPNDHSCOU-HUUCEWRRSA-N 2 0 351.466 2.177 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000247573975 549361184 /nfs/dbraw/zinc/36/11/84/549361184.db2.gz HOSJUITULOFYQS-CRAIPNDOSA-N 2 0 370.921 2.104 10 0 FEAERP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000247777314 549380043 /nfs/dbraw/zinc/38/00/43/549380043.db2.gz QXOAMAGMMFZALZ-JKSUJKDBSA-N 2 0 363.502 2.047 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248717861 549489567 /nfs/dbraw/zinc/48/95/67/549489567.db2.gz FMPSZBQBCHONJA-RLLQIKCJSA-N 2 0 356.514 2.387 10 0 FEAERP Cc1cc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261746712 549750551 /nfs/dbraw/zinc/75/05/51/549750551.db2.gz SRULHKFASUPFQH-NJZAAPMLSA-N 2 0 352.276 2.365 10 0 FEAERP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)nc1-c1ccncc1 ZINC000261985666 549777352 /nfs/dbraw/zinc/77/73/52/549777352.db2.gz SAWCEOHVZQWFAP-BRWVUGGUSA-N 2 0 358.511 2.494 10 0 FEAERP Cc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CCC(=O)N3CC[NH2+]CC3)n2)c1 ZINC000262228167 549800688 /nfs/dbraw/zinc/80/06/88/549800688.db2.gz VCLJAVXHICDCHE-LJQANCHMSA-N 2 0 367.497 2.344 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000183441778 672468444 /nfs/dbraw/zinc/46/84/44/672468444.db2.gz ILQTUKMNLGAJIT-SJORKVTESA-N 2 0 355.523 2.212 10 0 FEAERP Cc1cc(N2CC[NH+](C3CCN(c4ccccc4C)CC3)CC2)nc(N)[nH+]1 ZINC000065493805 221225775 /nfs/dbraw/zinc/22/57/75/221225775.db2.gz IUVKEFMVJKBZIR-UHFFFAOYSA-N 2 0 366.513 2.467 10 0 FEAERP O=C(c1cc[n+](COC[n+]2ccccc2C=NNO)cc1)C1CCCCC1 ZINC000095115866 542957578 /nfs/dbraw/zinc/95/75/78/542957578.db2.gz KKFQTBMASUVHEA-UHFFFAOYSA-O 2 0 369.445 2.437 10 0 FEAERP C[N@@H+](CC(=O)NC(C)(C)C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128128 543205942 /nfs/dbraw/zinc/20/59/42/543205942.db2.gz DPIGSIZUKHDRPY-LJQANCHMSA-N 2 0 361.530 2.279 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000106125950 543204325 /nfs/dbraw/zinc/20/43/25/543204325.db2.gz HYJLBVRAJWGLER-JXFKEZNVSA-N 2 0 359.514 2.031 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000106125066 543204520 /nfs/dbraw/zinc/20/45/20/543204520.db2.gz DLIMOKOBGJWPRS-VGSWGCGISA-N 2 0 373.541 2.279 10 0 FEAERP CCOc1ccc(OCC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000106125435 543204690 /nfs/dbraw/zinc/20/46/90/543204690.db2.gz FRAQOQAUKMTNEZ-KRWDZBQOSA-N 2 0 350.503 2.489 10 0 FEAERP CCCCNC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112550004 543451445 /nfs/dbraw/zinc/45/14/45/543451445.db2.gz UCCVCMVKCAWRCC-FXAWDEMLSA-N 2 0 361.530 2.326 10 0 FEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117052332 543622708 /nfs/dbraw/zinc/62/27/08/543622708.db2.gz VLEIBXMVDGGHEI-XLIONFOSSA-N 2 0 374.529 2.184 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000247490711 549342835 /nfs/dbraw/zinc/34/28/35/549342835.db2.gz WVSKYKLZAFHYED-DLBZAZTESA-N 2 0 368.591 2.376 10 0 FEAERP CCC[C@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000130956596 544172298 /nfs/dbraw/zinc/17/22/98/544172298.db2.gz GWAWUYCLDBCESA-WOJBJXKFSA-N 2 0 361.530 2.279 10 0 FEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000117024629 326047934 /nfs/dbraw/zinc/04/79/34/326047934.db2.gz YNDNFBICLOYZLR-GOSISDBHSA-N 2 0 366.550 2.147 10 0 FEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000117030800 326048042 /nfs/dbraw/zinc/04/80/42/326048042.db2.gz ASPPCBMGBZUPQU-LJQANCHMSA-N 2 0 362.518 2.000 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000121390347 326335190 /nfs/dbraw/zinc/33/51/90/326335190.db2.gz XBRLOWKOCLSTJN-QRVBRYPASA-N 2 0 368.566 2.030 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000174130420 327307897 /nfs/dbraw/zinc/30/78/97/327307897.db2.gz CWJMPYYDMBBGGK-WOJBJXKFSA-N 2 0 371.529 2.314 10 0 FEAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC[NH2+]1 ZINC000262403758 328863714 /nfs/dbraw/zinc/86/37/14/328863714.db2.gz OMDZQVIEQZWALK-XYJFISCASA-N 2 0 357.498 2.479 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC000172115149 546237232 /nfs/dbraw/zinc/23/72/32/546237232.db2.gz GEIMWAGKLORNLD-GOSISDBHSA-N 2 0 354.539 2.002 10 0 FEAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000176867168 546498412 /nfs/dbraw/zinc/49/84/12/546498412.db2.gz OSNTYGIVRIVLAD-GHTZIAJQSA-N 2 0 373.541 2.202 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000177390667 546607565 /nfs/dbraw/zinc/60/75/65/546607565.db2.gz KVYNDRUPWMUZAO-GOSISDBHSA-N 2 0 362.518 2.253 10 0 FEAERP COc1cc(OC)c(OC)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179516699 546970030 /nfs/dbraw/zinc/97/00/30/546970030.db2.gz XGLIDOUVNSCUQN-HNNXBMFYSA-N 2 0 366.502 2.237 10 0 FEAERP C[NH+](C)[C@H]1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000179805756 547014951 /nfs/dbraw/zinc/01/49/51/547014951.db2.gz KLBXMTXXXCLCDX-IBGZPJMESA-N 2 0 374.529 2.049 10 0 FEAERP C[N@H+](C[C@H](O)C(F)(F)F)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000181689850 547360673 /nfs/dbraw/zinc/36/06/73/547360673.db2.gz FRLDRBNUHQULAJ-IRXDYDNUSA-N 2 0 360.420 2.287 10 0 FEAERP C[N@H+](C[C@H](O)C(F)(F)F)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000181689869 547360712 /nfs/dbraw/zinc/36/07/12/547360712.db2.gz FRLDRBNUHQULAJ-SJORKVTESA-N 2 0 360.420 2.287 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000245469276 548929712 /nfs/dbraw/zinc/92/97/12/548929712.db2.gz LREXUHZKGINITQ-MOPGFXCFSA-N 2 0 366.550 2.144 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000245540887 548941746 /nfs/dbraw/zinc/94/17/46/548941746.db2.gz PSJVUGFAZXPKGO-VQIMIIECSA-N 2 0 359.518 2.326 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000245662354 548969748 /nfs/dbraw/zinc/96/97/48/548969748.db2.gz DIKPMJMGJDIJSD-MOPGFXCFSA-N 2 0 374.529 2.395 10 0 FEAERP Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245687894 548975221 /nfs/dbraw/zinc/97/52/21/548975221.db2.gz OAGMLEANVHEZQF-PBHICJAKSA-N 2 0 361.490 2.077 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247324079 549319054 /nfs/dbraw/zinc/31/90/54/549319054.db2.gz MPVWXSSMRUWYJK-FUHIMQAGSA-N 2 0 358.530 2.461 10 0 FEAERP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247809011 549382888 /nfs/dbraw/zinc/38/28/88/549382888.db2.gz UGRHBIDBWQSTCK-IMBTUZDBSA-N 2 0 353.551 2.094 10 0 FEAERP Cc1ccc(OC[C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000247809433 549383331 /nfs/dbraw/zinc/38/33/31/549383331.db2.gz UJDDKOORALPCPU-ICSRJNTNSA-N 2 0 364.530 2.068 10 0 FEAERP CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H]1CCC[NH2+]C1 ZINC000261861151 549763374 /nfs/dbraw/zinc/76/33/74/549763374.db2.gz UIVVCJCYZNNOJS-ZDUSSCGKSA-N 2 0 374.348 2.448 10 0 FEAERP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262287734 549807327 /nfs/dbraw/zinc/80/73/27/549807327.db2.gz OKZVYOIDSXIXAS-UHFFFAOYSA-N 2 0 359.514 2.113 10 0 FEAERP OC[C@H]1C[N@H+](Cc2cc(Br)ccc2F)CC12CC[NH2+]CC2 ZINC000169783921 672322578 /nfs/dbraw/zinc/32/25/78/672322578.db2.gz SKUJXEZTQLMHME-CYBMUJFWSA-N 2 0 357.267 2.382 10 0 FEAERP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CCCCC2)CCO1 ZINC000261797489 672903656 /nfs/dbraw/zinc/90/36/56/672903656.db2.gz QPOFFVLAPQVVJA-IAGOWNOFSA-N 2 0 351.535 2.291 10 0 FEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151921 677517747 /nfs/dbraw/zinc/51/77/47/677517747.db2.gz XXBOCLJLNJIKSK-LCGIIJARSA-N 2 0 355.404 2.021 10 0 FEAERP C[N@H+](CCOc1ccccc1)Cc1ccc(-c2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000023581299 211392077 /nfs/dbraw/zinc/39/20/77/211392077.db2.gz NBWBWTAEOSMYOW-UHFFFAOYSA-N 2 0 364.449 2.406 10 0 FEAERP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105150134 543162450 /nfs/dbraw/zinc/16/24/50/543162450.db2.gz VNFTUTRYXSVKCL-KRWDZBQOSA-N 2 0 366.575 2.228 10 0 FEAERP CCCCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128134 543205955 /nfs/dbraw/zinc/20/59/55/543205955.db2.gz UDXSQNSACKORAC-HXUWFJFHSA-N 2 0 361.530 2.280 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000106124719 543204427 /nfs/dbraw/zinc/20/44/27/543204427.db2.gz CDGAGSJBVVBIQT-SFHVURJKSA-N 2 0 373.541 2.207 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000106124608 543205065 /nfs/dbraw/zinc/20/50/65/543205065.db2.gz OBSOVLMXKFZPLS-INIZCTEOSA-N 2 0 364.486 2.209 10 0 FEAERP CCC[C@@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000130955956 544172211 /nfs/dbraw/zinc/17/22/11/544172211.db2.gz GWAWUYCLDBCESA-PMACEKPBSA-N 2 0 361.530 2.279 10 0 FEAERP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247513730 549348704 /nfs/dbraw/zinc/34/87/04/549348704.db2.gz QGSMYJPEVDVVRH-SJORKVTESA-N 2 0 362.543 2.450 10 0 FEAERP C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccc(-n2ccnc2)c1 ZINC000189887368 328173728 /nfs/dbraw/zinc/17/37/28/328173728.db2.gz AZEDCIWIQGWNHK-AWEZNQCLSA-N 2 0 367.409 2.142 10 0 FEAERP CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000190352586 328201920 /nfs/dbraw/zinc/20/19/20/328201920.db2.gz IRQFMHFJALFALH-UHFFFAOYSA-N 2 0 350.507 2.401 10 0 FEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000190692614 328225184 /nfs/dbraw/zinc/22/51/84/328225184.db2.gz KSTMSSHEUVYRII-UYAOXDASSA-N 2 0 373.545 2.277 10 0 FEAERP C[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000190697432 328225501 /nfs/dbraw/zinc/22/55/01/328225501.db2.gz BDMXDHGISWEFKP-ICSRJNTNSA-N 2 0 373.545 2.277 10 0 FEAERP C[NH+](C)C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000163730281 327057529 /nfs/dbraw/zinc/05/75/29/327057529.db2.gz FCFDFMNBXUZNRC-LJQANCHMSA-N 2 0 359.514 2.078 10 0 FEAERP COc1ccc(C[NH+]2CCC(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000170835101 327101417 /nfs/dbraw/zinc/10/14/17/327101417.db2.gz BLMRKAWVJDVFGI-LJQANCHMSA-N 2 0 374.529 2.253 10 0 FEAERP COc1ccccc1[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000171897983 327168028 /nfs/dbraw/zinc/16/80/28/327168028.db2.gz MSFFBQLKUAYRGU-MJGOQNOKSA-N 2 0 372.513 2.322 10 0 FEAERP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)c2)CC1 ZINC000261874598 328826129 /nfs/dbraw/zinc/82/61/29/328826129.db2.gz DPEFXSZBYABXLA-BHDDXSALSA-N 2 0 373.541 2.460 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000247871812 549387189 /nfs/dbraw/zinc/38/71/89/549387189.db2.gz XSLFWHSLVXQHPU-MSOLQXFVSA-N 2 0 373.541 2.379 10 0 FEAERP c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000248411165 549431997 /nfs/dbraw/zinc/43/19/97/549431997.db2.gz YYIZJBVCOGJZGD-HAGHYFMRSA-N 2 0 351.498 2.483 10 0 FEAERP [NH3+][C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780690 549755064 /nfs/dbraw/zinc/75/50/64/549755064.db2.gz MZFLDTVIXRDPKX-IRLDBZIGSA-N 2 0 371.525 2.255 10 0 FEAERP CC(=O)NCCN(Cc1ccc(Br)s1)C[C@@H]1CCC[NH2+]C1 ZINC000261861150 549763473 /nfs/dbraw/zinc/76/34/73/549763473.db2.gz UIVVCJCYZNNOJS-CYBMUJFWSA-N 2 0 374.348 2.448 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000113445023 543488797 /nfs/dbraw/zinc/48/87/97/543488797.db2.gz BDUCJJOBULNFSR-TZIWHRDSSA-N 2 0 370.541 2.284 10 0 FEAERP C[C@@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000114539303 543522831 /nfs/dbraw/zinc/52/28/31/543522831.db2.gz NGUJFTSNDNYERR-KSZLIROESA-N 2 0 373.545 2.053 10 0 FEAERP COc1cccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000247487459 549342530 /nfs/dbraw/zinc/34/25/30/549342530.db2.gz KYFHTPQNVBEEEH-AZUAARDMSA-N 2 0 372.513 2.322 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C[C@H]1CC ZINC000150757964 544467955 /nfs/dbraw/zinc/46/79/55/544467955.db2.gz ZPNXTTFFAXVQRB-RBUKOAKNSA-N 2 0 368.566 2.107 10 0 FEAERP C[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000190697448 328225440 /nfs/dbraw/zinc/22/54/40/328225440.db2.gz BDMXDHGISWEFKP-QUCCMNQESA-N 2 0 373.545 2.277 10 0 FEAERP C[NH+](CCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCCC1 ZINC000190708140 328226409 /nfs/dbraw/zinc/22/64/09/328226409.db2.gz JXFJKLVEOZQQGE-LJQANCHMSA-N 2 0 373.545 2.419 10 0 FEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190709926 328226752 /nfs/dbraw/zinc/22/67/52/328226752.db2.gz OSPNCIFVDNNUBR-WOJBJXKFSA-N 2 0 373.545 2.419 10 0 FEAERP C[C@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000261921813 328829608 /nfs/dbraw/zinc/82/96/08/328829608.db2.gz YYUWLADGPWEHRZ-RNIPGJKVSA-N 2 0 351.535 2.099 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000176228902 546422233 /nfs/dbraw/zinc/42/22/33/546422233.db2.gz AXFZIXKRMABBQS-KRWDZBQOSA-N 2 0 368.591 2.474 10 0 FEAERP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCOCC2 ZINC000186346542 548123031 /nfs/dbraw/zinc/12/30/31/548123031.db2.gz YNMZHECOARNJNP-YTQUADARSA-N 2 0 352.519 2.051 10 0 FEAERP CCC(CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)[NH+]1CCOCC1 ZINC000247326007 549319291 /nfs/dbraw/zinc/31/92/91/549319291.db2.gz MSZVQPVGPJEUGE-QRQLOZEOSA-N 2 0 368.566 2.151 10 0 FEAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000247817284 549384204 /nfs/dbraw/zinc/38/42/04/549384204.db2.gz WLROISGPCIXBOZ-AZUAARDMSA-N 2 0 364.530 2.068 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000252443588 549665444 /nfs/dbraw/zinc/66/54/44/549665444.db2.gz DALKTWVRUWDLNO-WMZOPIPTSA-N 2 0 360.502 2.005 10 0 FEAERP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C[C@H]1c1ccccc1 ZINC000261689216 549743183 /nfs/dbraw/zinc/74/31/83/549743183.db2.gz IYGVXHHKDOKYHK-HOJAQTOUSA-N 2 0 362.477 2.239 10 0 FEAERP Cc1cc(Br)ccc1NC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261768233 549753531 /nfs/dbraw/zinc/75/35/31/549753531.db2.gz VPBSPINWTZGUNO-IACUBPJLSA-N 2 0 352.276 2.365 10 0 FEAERP [NH3+]C1(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CCOCC1 ZINC000261939371 549772229 /nfs/dbraw/zinc/77/22/29/549772229.db2.gz XDUUUSKNOAHRFT-HNNXBMFYSA-N 2 0 369.868 2.240 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000129997608 672068773 /nfs/dbraw/zinc/06/87/73/672068773.db2.gz MINVULJKBPQMKF-QGZVFWFLSA-N 2 0 355.523 2.336 10 0 FEAERP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649305145 677329031 /nfs/dbraw/zinc/32/90/31/677329031.db2.gz GPSUODOOHCYZRM-IAGOWNOFSA-N 2 0 351.441 2.402 10 0 FEAERP c1ccc(C[N@H+]2CC[C@@H](CCNc3ncnc4c3CC[NH2+]CC4)C2)cc1 ZINC000072427854 210064639 /nfs/dbraw/zinc/06/46/39/210064639.db2.gz RXXYUSYZEVUECO-GOSISDBHSA-N 2 0 351.498 2.489 10 0 FEAERP [NH3+]CCCN(Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)CCC[NH3+] ZINC000095883496 542983112 /nfs/dbraw/zinc/98/31/12/542983112.db2.gz BJFPUXIGFGIQBS-UHFFFAOYSA-N 2 0 361.511 2.183 10 0 FEAERP CCN(CC)C(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112550023 543451556 /nfs/dbraw/zinc/45/15/56/543451556.db2.gz AQWHIPFPBQEPQZ-YLJYHZDGSA-N 2 0 361.530 2.279 10 0 FEAERP C[NH+]1CCC(NS(=O)(=O)c2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000098178623 222230901 /nfs/dbraw/zinc/23/09/01/222230901.db2.gz QTTCLMAEQZSAPR-UHFFFAOYSA-N 2 0 351.516 2.091 10 0 FEAERP CC[N@H+](CC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000153420450 544773485 /nfs/dbraw/zinc/77/34/85/544773485.db2.gz KWJQLEPVFQVJMP-NRFANRHFSA-N 2 0 373.541 2.375 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187682570 328039279 /nfs/dbraw/zinc/03/92/79/328039279.db2.gz DXOIAWGJRQKARN-HOTGVXAUSA-N 2 0 368.543 2.176 10 0 FEAERP CCCCOC[C@@H](O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000193364533 328370864 /nfs/dbraw/zinc/37/08/64/328370864.db2.gz LTMYUIZBRDJSRZ-KRWDZBQOSA-N 2 0 350.507 2.208 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000061073648 324854708 /nfs/dbraw/zinc/85/47/08/324854708.db2.gz HLZJBZISXWXAOL-KRWDZBQOSA-N 2 0 354.539 2.051 10 0 FEAERP CN(C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092328656 325410642 /nfs/dbraw/zinc/41/06/42/325410642.db2.gz BGASRKXLGKRWJU-QUCCMNQESA-N 2 0 373.545 2.213 10 0 FEAERP C[N@H+](CC[C@H]1CCOC1=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120475260 326261830 /nfs/dbraw/zinc/26/18/30/326261830.db2.gz MXHDWQYTQGOOOW-PMACEKPBSA-N 2 0 360.498 2.317 10 0 FEAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(OC)c1OC ZINC000121097056 326312896 /nfs/dbraw/zinc/31/28/96/326312896.db2.gz CNBGQBKORLOINS-HNNXBMFYSA-N 2 0 366.502 2.237 10 0 FEAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000176687234 327470182 /nfs/dbraw/zinc/47/01/82/327470182.db2.gz UPEXVXYQPLWAHD-HXUWFJFHSA-N 2 0 361.530 2.165 10 0 FEAERP C[C@@H]1C[NH+](CCC2CCN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000261807618 328820973 /nfs/dbraw/zinc/82/09/73/328820973.db2.gz NBTDETKTJNQTIM-ZAWLATJESA-N 2 0 351.535 2.242 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000176886051 546500651 /nfs/dbraw/zinc/50/06/51/546500651.db2.gz FAHFKDVIUMDGSD-SFHVURJKSA-N 2 0 374.533 2.188 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000192344559 548362543 /nfs/dbraw/zinc/36/25/43/548362543.db2.gz DMBRDHLZQQQMJE-VQTJNVASSA-N 2 0 374.529 2.061 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000245413648 548912196 /nfs/dbraw/zinc/91/21/96/548912196.db2.gz BQADEWOKPAUVSK-SFTDATJTSA-N 2 0 370.541 2.133 10 0 FEAERP C[C@H](O)C[N@@H+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000245704727 548979922 /nfs/dbraw/zinc/97/99/22/548979922.db2.gz DTVGBRVNSGRNID-MOPGFXCFSA-N 2 0 374.573 2.104 10 0 FEAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246457552 549137473 /nfs/dbraw/zinc/13/74/73/549137473.db2.gz PHRHEYXUMXZPJE-FQEVSTJZSA-N 2 0 356.514 2.315 10 0 FEAERP CC[C@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1CCOC ZINC000247266071 549308548 /nfs/dbraw/zinc/30/85/48/549308548.db2.gz ZAFGMIRQHHEBRW-DLBZAZTESA-N 2 0 356.555 2.105 10 0 FEAERP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000247807964 549383486 /nfs/dbraw/zinc/38/34/86/549383486.db2.gz TYFBZETYNLMBLR-RCCFBDPRSA-N 2 0 361.530 2.277 10 0 FEAERP c1cc(CN2CC[NH+]3CCC[C@H]3C2)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252692196 549676701 /nfs/dbraw/zinc/67/67/01/549676701.db2.gz RHCGKEHUIMLOBR-VXKWHMMOSA-N 2 0 354.542 2.247 10 0 FEAERP CC(C)c1cc(N2CC[NH+]3CCC[C@@H]3C2)nc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000302766500 553731796 /nfs/dbraw/zinc/73/17/96/553731796.db2.gz LSXARSCEXQZMQC-QZTJIDSGSA-N 2 0 370.545 2.169 10 0 FEAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000105149623 543161713 /nfs/dbraw/zinc/16/17/13/543161713.db2.gz FCZCDNIKXZFHAK-FXAWDEMLSA-N 2 0 356.514 2.313 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000106126225 543204640 /nfs/dbraw/zinc/20/46/40/543204640.db2.gz LPUURABJVNXLIM-ROUUACIJSA-N 2 0 361.530 2.058 10 0 FEAERP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000106125611 543204678 /nfs/dbraw/zinc/20/46/78/543204678.db2.gz QXOAMAGMMFZALZ-HOTGVXAUSA-N 2 0 363.502 2.047 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000113445026 543488803 /nfs/dbraw/zinc/48/88/03/543488803.db2.gz BDUCJJOBULNFSR-PZJWPPBQSA-N 2 0 370.541 2.284 10 0 FEAERP CCN(C)C(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000130352067 544148090 /nfs/dbraw/zinc/14/80/90/544148090.db2.gz BRUHSVJNESVLOA-HXUWFJFHSA-N 2 0 361.530 2.232 10 0 FEAERP CCC[C@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000130956163 544172076 /nfs/dbraw/zinc/17/20/76/544172076.db2.gz GWAWUYCLDBCESA-UXHICEINSA-N 2 0 361.530 2.279 10 0 FEAERP CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000131759325 544205221 /nfs/dbraw/zinc/20/52/21/544205221.db2.gz JTEDWXIKRMATJH-PMACEKPBSA-N 2 0 361.530 2.231 10 0 FEAERP CC[NH+]1CCN(CCOc2cc(Cl)cc(N3CC[NH2+]CC3)c2C)CC1 ZINC000149923374 544460237 /nfs/dbraw/zinc/46/02/37/544460237.db2.gz FNSRDZSZLGZKCM-UHFFFAOYSA-N 2 0 366.937 2.074 10 0 FEAERP C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000183162507 327804847 /nfs/dbraw/zinc/80/48/47/327804847.db2.gz IBROTSUDSYEZDB-ABSDTBQOSA-N 2 0 359.514 2.313 10 0 FEAERP CC[N@H+](CC(=O)N1CC[C@@H](C[NH+](C)Cc2scnc2C)C1)C1CC1 ZINC000190557417 328216161 /nfs/dbraw/zinc/21/61/61/328216161.db2.gz PZGWTIMTTHMMMU-HNNXBMFYSA-N 2 0 350.532 2.216 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190692038 328224988 /nfs/dbraw/zinc/22/49/88/328224988.db2.gz KDYMPJOJMWAWOY-PKOBYXMFSA-N 2 0 361.534 2.275 10 0 FEAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](CCOCC)[C@@H](CC)C2)CC1 ZINC000117041831 326049200 /nfs/dbraw/zinc/04/92/00/326049200.db2.gz ASUBSSSBGIFOEW-IBGZPJMESA-N 2 0 368.566 2.251 10 0 FEAERP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C[C@H](C)O1 ZINC000170828759 327100951 /nfs/dbraw/zinc/10/09/51/327100951.db2.gz CEXMRVQVWBLRMD-QKLQHJQFSA-N 2 0 374.529 2.141 10 0 FEAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171907204 327169562 /nfs/dbraw/zinc/16/95/62/327169562.db2.gz AROAXUWFEJQGOE-VQTJNVASSA-N 2 0 356.514 2.041 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc21 ZINC000174440237 327327205 /nfs/dbraw/zinc/32/72/05/327327205.db2.gz PTYNIXXLSAVLDY-SJLPKXTDSA-N 2 0 360.502 2.178 10 0 FEAERP CC(C)N1CC[C@@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175191145 327378905 /nfs/dbraw/zinc/37/89/05/327378905.db2.gz LACLQPUMZCSRHC-UXHICEINSA-N 2 0 359.514 2.031 10 0 FEAERP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261926004 328829817 /nfs/dbraw/zinc/82/98/17/328829817.db2.gz LCQQUDMDOQCSIG-YXJHDRRASA-N 2 0 362.493 2.272 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000156865992 545669953 /nfs/dbraw/zinc/66/99/53/545669953.db2.gz CKDBSUMNTOBNQN-HOJAQTOUSA-N 2 0 374.529 2.088 10 0 FEAERP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000158412584 545857231 /nfs/dbraw/zinc/85/72/31/545857231.db2.gz HARMHPMKZDNSKI-FQEVSTJZSA-N 2 0 369.513 2.014 10 0 FEAERP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000170862933 546180632 /nfs/dbraw/zinc/18/06/32/546180632.db2.gz OTZSPHGLTHKXMB-AEFFLSMTSA-N 2 0 360.502 2.178 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000176886032 546500953 /nfs/dbraw/zinc/50/09/53/546500953.db2.gz FAHFKDVIUMDGSD-GOSISDBHSA-N 2 0 374.533 2.188 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179423152 546950722 /nfs/dbraw/zinc/95/07/22/546950722.db2.gz SCDVMKKHIJNCED-GOSISDBHSA-N 2 0 356.514 2.456 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180361806 547091469 /nfs/dbraw/zinc/09/14/69/547091469.db2.gz PSJVUGFAZXPKGO-APWZRJJASA-N 2 0 359.518 2.326 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C[C@H]1CC ZINC000182691655 547534854 /nfs/dbraw/zinc/53/48/54/547534854.db2.gz KFQFMZFVHIGABP-RTBURBONSA-N 2 0 368.566 2.393 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000194169875 548444508 /nfs/dbraw/zinc/44/45/08/548444508.db2.gz UPOMCEUSIHIDMK-GOSISDBHSA-N 2 0 350.482 2.383 10 0 FEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000246294233 549098203 /nfs/dbraw/zinc/09/82/03/549098203.db2.gz BHNHJPPEDBNUIG-KVPLUYHFSA-N 2 0 358.530 2.489 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1COc2ccccc21 ZINC000246360384 549114251 /nfs/dbraw/zinc/11/42/51/549114251.db2.gz PTYNIXXLSAVLDY-WMZOPIPTSA-N 2 0 360.502 2.178 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C[C@H]1CC ZINC000247116481 549286833 /nfs/dbraw/zinc/28/68/33/549286833.db2.gz NQGHDPAIIUIPKN-RBUKOAKNSA-N 2 0 368.566 2.251 10 0 FEAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661234 549479782 /nfs/dbraw/zinc/47/97/82/549479782.db2.gz WXPGGJOSKYVMQU-FGZHOGPDSA-N 2 0 369.509 2.413 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000252443587 549665425 /nfs/dbraw/zinc/66/54/25/549665425.db2.gz DALKTWVRUWDLNO-AEFFLSMTSA-N 2 0 360.502 2.005 10 0 FEAERP CC(C)C[N@H+]1CCc2nnc([C@H]3CC[NH+](Cc4cccnc4)C3)n2CC1 ZINC000257184343 549713450 /nfs/dbraw/zinc/71/34/50/549713450.db2.gz ILJMTSGMVFMXCZ-SFHVURJKSA-N 2 0 354.502 2.177 10 0 FEAERP Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CCC(=O)N3CC[NH2+]CC3)n2)c1 ZINC000262228166 549801049 /nfs/dbraw/zinc/80/10/49/549801049.db2.gz VCLJAVXHICDCHE-IBGZPJMESA-N 2 0 367.497 2.344 10 0 FEAERP CCn1ccnc1CN(C(=O)[C@@H]([NH3+])c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583621388 570810970 /nfs/dbraw/zinc/81/09/70/570810970.db2.gz AFGHQWUQQGVYRY-MJGOQNOKSA-N 2 0 367.497 2.074 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000129997837 672068821 /nfs/dbraw/zinc/06/88/21/672068821.db2.gz MINVULJKBPQMKF-KRWDZBQOSA-N 2 0 355.523 2.336 10 0 FEAERP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000195193448 672778630 /nfs/dbraw/zinc/77/86/30/672778630.db2.gz ZPJFBBRVOPHBBG-VQIMIIECSA-N 2 0 355.523 2.070 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000068587629 541612313 /nfs/dbraw/zinc/61/23/13/541612313.db2.gz RPQFIKDCIXKZFU-SFHVURJKSA-N 2 0 350.482 2.383 10 0 FEAERP O=C(NCc1cc(-c2ccccc2Cl)no1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072149790 541789059 /nfs/dbraw/zinc/78/90/59/541789059.db2.gz FJUNCJBYJOTFPV-QGZVFWFLSA-N 2 0 374.872 2.343 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000247400626 549329245 /nfs/dbraw/zinc/32/92/45/549329245.db2.gz LMDQMWPNYMACFQ-UWJYYQICSA-N 2 0 371.525 2.200 10 0 FEAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105128663 543160999 /nfs/dbraw/zinc/16/09/99/543160999.db2.gz PHRHEYXUMXZPJE-HXUWFJFHSA-N 2 0 356.514 2.315 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000106126542 543204584 /nfs/dbraw/zinc/20/45/84/543204584.db2.gz ZPPAUBHFBXEYHP-MSOLQXFVSA-N 2 0 373.541 2.379 10 0 FEAERP Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000117040931 543622060 /nfs/dbraw/zinc/62/20/60/543622060.db2.gz BOMDJJRYLXRTOJ-UXHICEINSA-N 2 0 374.529 2.104 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000117478728 543633363 /nfs/dbraw/zinc/63/33/63/543633363.db2.gz GQGWUIRSACDYID-RBUKOAKNSA-N 2 0 368.566 2.251 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000132361195 544228636 /nfs/dbraw/zinc/22/86/36/544228636.db2.gz IJQYLXBBWOEJFW-HKUYNNGSSA-N 2 0 366.550 2.002 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000247501523 549346533 /nfs/dbraw/zinc/34/65/33/549346533.db2.gz XPUFVUPZWNASEJ-AZUAARDMSA-N 2 0 358.530 2.044 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1CC ZINC000117023545 326047787 /nfs/dbraw/zinc/04/77/87/326047787.db2.gz UQYKRVTVCLJYTJ-KRWDZBQOSA-N 2 0 368.566 2.438 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccsc1 ZINC000117031419 326048530 /nfs/dbraw/zinc/04/85/30/326048530.db2.gz LLEZZVMIWSWRFR-DLBZAZTESA-N 2 0 368.547 2.103 10 0 FEAERP CC(C)N1CC[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175191127 327378970 /nfs/dbraw/zinc/37/89/70/327378970.db2.gz LACLQPUMZCSRHC-PMACEKPBSA-N 2 0 359.514 2.031 10 0 FEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000175672433 546331499 /nfs/dbraw/zinc/33/14/99/546331499.db2.gz OFUJPTPYMAMGMZ-NRFANRHFSA-N 2 0 366.509 2.335 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000175946744 546377924 /nfs/dbraw/zinc/37/79/24/546377924.db2.gz SQEXDJWEWKLPQG-SFHVURJKSA-N 2 0 350.482 2.383 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000177014952 546523557 /nfs/dbraw/zinc/52/35/57/546523557.db2.gz XZWGSUXJDZMTLD-HXUWFJFHSA-N 2 0 358.530 2.385 10 0 FEAERP CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000177465839 546625440 /nfs/dbraw/zinc/62/54/40/546625440.db2.gz KGFVYZKMAAIRJZ-NRFANRHFSA-N 2 0 373.541 2.232 10 0 FEAERP CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180620354 547143753 /nfs/dbraw/zinc/14/37/53/547143753.db2.gz YDTLLQXHGOQYDM-DOTOQJQBSA-N 2 0 357.502 2.447 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000181689560 547361572 /nfs/dbraw/zinc/36/15/72/547361572.db2.gz YOWPLUKWQSBTIG-QGZVFWFLSA-N 2 0 367.578 2.296 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000194153232 548441867 /nfs/dbraw/zinc/44/18/67/548441867.db2.gz YPTPFPCMISQWGI-MRXNPFEDSA-N 2 0 354.564 2.132 10 0 FEAERP COc1ccccc1C[N@@H+]1C[C@H](C(=O)NC2CC2)C2(C1)CC[NH+](C)CC2 ZINC000257174905 549711620 /nfs/dbraw/zinc/71/16/20/549711620.db2.gz LVEBGJXZEREBPQ-GOSISDBHSA-N 2 0 357.498 2.118 10 0 FEAERP NC(=[NH2+])c1ccc2[nH]c(CCCc3nc4cc(C(N)=[NH2+])ccc4[nH]3)nc2c1 ZINC000005117256 539402654 /nfs/dbraw/zinc/40/26/54/539402654.db2.gz JSWDSBAWSDFTEK-UHFFFAOYSA-N 2 0 360.425 2.183 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)[C@@H](C)C1 ZINC000247458079 549335987 /nfs/dbraw/zinc/33/59/87/549335987.db2.gz UDTOBGBMGIFMKG-CADBVGFASA-N 2 0 368.566 2.151 10 0 FEAERP CCOCCN1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1CC ZINC000116769252 543615053 /nfs/dbraw/zinc/61/50/53/543615053.db2.gz ZBIRJONUFVHEAE-VQTJNVASSA-N 2 0 361.530 2.119 10 0 FEAERP CC(C)CSCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000152624228 544675385 /nfs/dbraw/zinc/67/53/85/544675385.db2.gz ASVRNXXEXAXPAF-LJQANCHMSA-N 2 0 357.608 2.493 10 0 FEAERP CC[N@H+](CC(=O)N1CC[C@H](C[NH+](C)Cc2scnc2C)C1)C1CC1 ZINC000190557398 328216151 /nfs/dbraw/zinc/21/61/51/328216151.db2.gz PZGWTIMTTHMMMU-OAHLLOKOSA-N 2 0 350.532 2.216 10 0 FEAERP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190647075 328221559 /nfs/dbraw/zinc/22/15/59/328221559.db2.gz AZKCSGRHJDGSJG-KRWDZBQOSA-N 2 0 353.470 2.137 10 0 FEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000191592521 328272978 /nfs/dbraw/zinc/27/29/78/328272978.db2.gz DCARWOVWYPFSHK-YLJYHZDGSA-N 2 0 367.484 2.489 10 0 FEAERP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C1CC[NH2+]CC1 ZINC000237151096 328506771 /nfs/dbraw/zinc/50/67/71/328506771.db2.gz AGAUHECYCVFTFJ-UHFFFAOYSA-N 2 0 368.319 2.339 10 0 FEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117028051 326047442 /nfs/dbraw/zinc/04/74/42/326047442.db2.gz PXZFTJWNERGBCX-LJQANCHMSA-N 2 0 362.518 2.000 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccsc1 ZINC000117031416 326048641 /nfs/dbraw/zinc/04/86/41/326048641.db2.gz LLEZZVMIWSWRFR-IRXDYDNUSA-N 2 0 368.547 2.103 10 0 FEAERP C[N@H+](CC[C@@H]1CCOC1=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120475100 326261912 /nfs/dbraw/zinc/26/19/12/326261912.db2.gz MXHDWQYTQGOOOW-UXHICEINSA-N 2 0 360.498 2.317 10 0 FEAERP COC(=O)c1oc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121004339 326305560 /nfs/dbraw/zinc/30/55/60/326305560.db2.gz MUKHOHHCRXVSAO-HUUCEWRRSA-N 2 0 352.475 2.460 10 0 FEAERP O=C1Nc2ccccc2C12CCC([NH2+]C[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000151332143 326679843 /nfs/dbraw/zinc/67/98/43/326679843.db2.gz XLHJUOVYYMBRMH-BATSVXPKSA-N 2 0 357.498 2.256 10 0 FEAERP COc1cccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)c1 ZINC000170863284 327103754 /nfs/dbraw/zinc/10/37/54/327103754.db2.gz OJJZZZTWZBPQKI-PKOBYXMFSA-N 2 0 360.502 2.178 10 0 FEAERP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171652995 327152234 /nfs/dbraw/zinc/15/22/34/327152234.db2.gz BMQRMJGTVBEDOZ-GOSISDBHSA-N 2 0 368.481 2.449 10 0 FEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171900714 327168637 /nfs/dbraw/zinc/16/86/37/327168637.db2.gz KTYJRWAIBAOKAJ-IBGZPJMESA-N 2 0 374.529 2.397 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COc2ccccc2Cl)CC1 ZINC000172111271 327181506 /nfs/dbraw/zinc/18/15/06/327181506.db2.gz RRDHBEPNCBCPAA-WBVHZDCISA-N 2 0 370.921 2.104 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCCC2)C[C@H]1CC ZINC000172117481 327181802 /nfs/dbraw/zinc/18/18/02/327181802.db2.gz BOKPLEQBBPANNK-GOSISDBHSA-N 2 0 354.539 2.005 10 0 FEAERP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261851459 328824290 /nfs/dbraw/zinc/82/42/90/328824290.db2.gz QLNYJSJDDPMLSJ-UHFFFAOYSA-N 2 0 359.539 2.451 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171900861 546229419 /nfs/dbraw/zinc/22/94/19/546229419.db2.gz WFNALJAOUIGCMH-WOJBJXKFSA-N 2 0 358.530 2.429 10 0 FEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000176903793 546505434 /nfs/dbraw/zinc/50/54/34/546505434.db2.gz XCMWSEOUNVQZKM-LJQANCHMSA-N 2 0 374.529 2.410 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000177448860 546620540 /nfs/dbraw/zinc/62/05/40/546620540.db2.gz CZDRCGVTLKNINN-GOSISDBHSA-N 2 0 362.518 2.253 10 0 FEAERP COCCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000179517513 546969299 /nfs/dbraw/zinc/96/92/99/546969299.db2.gz ABVFYTZENLYSSQ-KRWDZBQOSA-N 2 0 350.503 2.236 10 0 FEAERP CC[C@@H]1CN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000182688700 547534135 /nfs/dbraw/zinc/53/41/35/547534135.db2.gz PLWXHUQNXDPSSN-QZTJIDSGSA-N 2 0 354.539 2.003 10 0 FEAERP O=C(C[NH2+][C@@H](CO)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183624641 547691411 /nfs/dbraw/zinc/69/14/11/547691411.db2.gz BBSVPUSPIKIHGH-NRFANRHFSA-N 2 0 367.493 2.222 10 0 FEAERP COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@@H]([NH+](C)C)C3)CC[N@@H+]2C2CC2)c1 ZINC000183765062 547716456 /nfs/dbraw/zinc/71/64/56/547716456.db2.gz FSKLSHYFNHZOSO-YZGWKJHDSA-N 2 0 372.513 2.319 10 0 FEAERP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000246171255 549069121 /nfs/dbraw/zinc/06/91/21/549069121.db2.gz FGDVKZMMLPCBJY-UXHICEINSA-N 2 0 359.514 2.004 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000246540732 549157594 /nfs/dbraw/zinc/15/75/94/549157594.db2.gz YDVREAURUOYPPE-PMACEKPBSA-N 2 0 356.514 2.313 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000246741812 549201666 /nfs/dbraw/zinc/20/16/66/549201666.db2.gz AZVIJUKOWOYGBG-YLJYHZDGSA-N 2 0 358.530 2.463 10 0 FEAERP Cc1ccc(N2CC[C@@H]([N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)cc1 ZINC000246776330 549209238 /nfs/dbraw/zinc/20/92/38/549209238.db2.gz OJKKRFNSBNXRRS-FXAWDEMLSA-N 2 0 359.514 2.125 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000247029393 549269493 /nfs/dbraw/zinc/26/94/93/549269493.db2.gz HQSGLGHDHKIFNU-ZTFGCOKTSA-N 2 0 350.482 2.456 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000247649672 549368897 /nfs/dbraw/zinc/36/88/97/549368897.db2.gz WFNALJAOUIGCMH-PMACEKPBSA-N 2 0 358.530 2.429 10 0 FEAERP COC[C@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000262284580 549806389 /nfs/dbraw/zinc/80/63/89/549806389.db2.gz MERADKUDPURUIU-INIZCTEOSA-N 2 0 374.312 2.392 10 0 FEAERP CS(=O)(=O)c1cccc(OCCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000262309373 549809229 /nfs/dbraw/zinc/80/92/29/549809229.db2.gz YTRGQXAWGCSNND-XLIONFOSSA-N 2 0 374.506 2.143 10 0 FEAERP C[C@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)c1ccc(Cl)s1 ZINC000182983802 672457740 /nfs/dbraw/zinc/45/77/40/672457740.db2.gz BRSMPSCXKMCDJM-LBPRGKRZSA-N 2 0 359.923 2.279 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000106124540 543204525 /nfs/dbraw/zinc/20/45/25/543204525.db2.gz VCPMQRVSTNDWLM-SFHVURJKSA-N 2 0 373.541 2.202 10 0 FEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000111881060 543422675 /nfs/dbraw/zinc/42/26/75/543422675.db2.gz NXESBYXTYDLUAO-MSOLQXFVSA-N 2 0 368.566 2.033 10 0 FEAERP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247537619 549352589 /nfs/dbraw/zinc/35/25/89/549352589.db2.gz CQQWAURZKJSKCS-AZUAARDMSA-N 2 0 364.530 2.068 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189180539 328133645 /nfs/dbraw/zinc/13/36/45/328133645.db2.gz VCJHDZYPJKNCAW-LBPRGKRZSA-N 2 0 362.383 2.225 10 0 FEAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190692091 328225073 /nfs/dbraw/zinc/22/50/73/328225073.db2.gz KDYMPJOJMWAWOY-MJGOQNOKSA-N 2 0 361.534 2.275 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000171083070 327116614 /nfs/dbraw/zinc/11/66/14/327116614.db2.gz CCOGKDGYRVGZFI-GOSISDBHSA-N 2 0 362.543 2.446 10 0 FEAERP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c(C)c2)CC1 ZINC000171806948 327162595 /nfs/dbraw/zinc/16/25/95/327162595.db2.gz PSFQMQDMRRVGSN-LJQANCHMSA-N 2 0 371.529 2.449 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccco1 ZINC000262696344 328881831 /nfs/dbraw/zinc/88/18/31/328881831.db2.gz BDYXIBCSHRFMOP-NVXWUHKLSA-N 2 0 359.474 2.214 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176627771 546469015 /nfs/dbraw/zinc/46/90/15/546469015.db2.gz LREXUHZKGINITQ-RBUKOAKNSA-N 2 0 366.550 2.144 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000177373758 546602815 /nfs/dbraw/zinc/60/28/15/546602815.db2.gz BSOIDWAYCGVVQQ-IBGZPJMESA-N 2 0 359.518 2.172 10 0 FEAERP COc1cc(OC)c(OC)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179516708 546970107 /nfs/dbraw/zinc/97/01/07/546970107.db2.gz XGLIDOUVNSCUQN-OAHLLOKOSA-N 2 0 366.502 2.237 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000186942669 548224809 /nfs/dbraw/zinc/22/48/09/548224809.db2.gz NPCQYCXIABGOHM-INIZCTEOSA-N 2 0 359.514 2.120 10 0 FEAERP COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000195122593 548580699 /nfs/dbraw/zinc/58/06/99/548580699.db2.gz DHEYMEQWKYMDTJ-HKUYNNGSSA-N 2 0 360.502 2.226 10 0 FEAERP CCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000236852340 548783310 /nfs/dbraw/zinc/78/33/10/548783310.db2.gz MFLPWWZAXWFQPD-KRWDZBQOSA-N 2 0 352.910 2.096 10 0 FEAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000246360668 549113618 /nfs/dbraw/zinc/11/36/18/549113618.db2.gz FCZCDNIKXZFHAK-PXNSSMCTSA-N 2 0 356.514 2.313 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C[C@@H]1CC ZINC000246601830 549171655 /nfs/dbraw/zinc/17/16/55/549171655.db2.gz ZPNXTTFFAXVQRB-MOPGFXCFSA-N 2 0 368.566 2.107 10 0 FEAERP CN(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000247596881 549365324 /nfs/dbraw/zinc/36/53/24/549365324.db2.gz SPHJJWGAFZGQEA-WMLDXEAASA-N 2 0 350.894 2.432 10 0 FEAERP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249208578 549569489 /nfs/dbraw/zinc/56/94/89/549569489.db2.gz CFNRDAZZCJNZHE-QRVBRYPASA-N 2 0 351.535 2.209 10 0 FEAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249296652 549577823 /nfs/dbraw/zinc/57/78/23/549577823.db2.gz MOAMDYOCQVFJBR-VQTJNVASSA-N 2 0 369.513 2.075 10 0 FEAERP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000195193461 672778525 /nfs/dbraw/zinc/77/85/25/672778525.db2.gz ZPJFBBRVOPHBBG-APWZRJJASA-N 2 0 355.523 2.070 10 0 FEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151922 677517649 /nfs/dbraw/zinc/51/76/49/677517649.db2.gz XXBOCLJLNJIKSK-MIGQKNRLSA-N 2 0 355.404 2.021 10 0 FEAERP CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000653448418 677531441 /nfs/dbraw/zinc/53/14/41/677531441.db2.gz RVJJLRLLDRNWAR-BZUAXINKSA-N 2 0 355.404 2.117 10 0 FEAERP CCC[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000094132727 542953164 /nfs/dbraw/zinc/95/31/64/542953164.db2.gz PXIJIUOJJJZCSQ-SFHVURJKSA-N 2 0 360.502 2.181 10 0 FEAERP COc1cccc([C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)[NH+](C)C)c1 ZINC000105083151 543157847 /nfs/dbraw/zinc/15/78/47/543157847.db2.gz ZXROHYIWHWSEAP-IEBWSBKVSA-N 2 0 360.502 2.178 10 0 FEAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105244843 543166869 /nfs/dbraw/zinc/16/68/69/543166869.db2.gz UJQCWWQNRBVDQP-NHCUHLMSSA-N 2 0 370.541 2.431 10 0 FEAERP C[N@@H+](CC(=O)N1CCCCC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128340 543206004 /nfs/dbraw/zinc/20/60/04/543206004.db2.gz OFPFATFAYIZLNQ-OAQYLSRUSA-N 2 0 373.541 2.376 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000106126415 543205019 /nfs/dbraw/zinc/20/50/19/543205019.db2.gz RKACOCKZKTVBPB-CYBMUJFWSA-N 2 0 371.884 2.442 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117025992 543621970 /nfs/dbraw/zinc/62/19/70/543621970.db2.gz ORJPXLQDLYWGES-RTBURBONSA-N 2 0 362.518 2.042 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189180560 328133457 /nfs/dbraw/zinc/13/34/57/328133457.db2.gz VCJHDZYPJKNCAW-GFCCVEGCSA-N 2 0 362.383 2.225 10 0 FEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000106459134 325599149 /nfs/dbraw/zinc/59/91/49/325599149.db2.gz LNXMWDYFCWKTRF-OAQYLSRUSA-N 2 0 366.509 2.335 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000170835481 327101407 /nfs/dbraw/zinc/10/14/07/327101407.db2.gz JWALMVLFCJXSJJ-HZPDHXFCSA-N 2 0 350.532 2.306 10 0 FEAERP COc1cccc(NC(=O)CC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000174783017 327350863 /nfs/dbraw/zinc/35/08/63/327350863.db2.gz FZTYZZVZKQQNIW-MRXNPFEDSA-N 2 0 363.502 2.048 10 0 FEAERP CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000178779259 546847942 /nfs/dbraw/zinc/84/79/42/546847942.db2.gz MUMHKCRWTILGLC-FUHWJXTLSA-N 2 0 359.495 2.280 10 0 FEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000179072260 546895382 /nfs/dbraw/zinc/89/53/82/546895382.db2.gz RWHHEVGDHXLASE-HXUWFJFHSA-N 2 0 373.545 2.466 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000181429879 547313730 /nfs/dbraw/zinc/31/37/30/547313730.db2.gz BBXTUEUYBSYKIG-LJQANCHMSA-N 2 0 366.550 2.005 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000195011480 548564289 /nfs/dbraw/zinc/56/42/89/548564289.db2.gz ANMUHNUMCNVOJO-CQSZACIVSA-N 2 0 363.527 2.125 10 0 FEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195222929 548598401 /nfs/dbraw/zinc/59/84/01/548598401.db2.gz FKRODCWZQBDSIE-IBGZPJMESA-N 2 0 371.529 2.449 10 0 FEAERP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C12CCOCC2 ZINC000249061544 549545502 /nfs/dbraw/zinc/54/55/02/549545502.db2.gz YNMZHECOARNJNP-NZSAHSFTSA-N 2 0 352.519 2.051 10 0 FEAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000251714078 549651743 /nfs/dbraw/zinc/65/17/43/549651743.db2.gz KSTMSSHEUVYRII-QUCCMNQESA-N 2 0 373.545 2.277 10 0 FEAERP COC[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000257183587 549713676 /nfs/dbraw/zinc/71/36/76/549713676.db2.gz HSTYWGYUGVUGFR-WOJBJXKFSA-N 2 0 359.514 2.124 10 0 FEAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)C2)c1 ZINC000261901911 549767594 /nfs/dbraw/zinc/76/75/94/549767594.db2.gz HTVLAPYYIPJZBX-QYRPDUKASA-N 2 0 359.514 2.268 10 0 FEAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105158 677515895 /nfs/dbraw/zinc/51/58/95/677515895.db2.gz ICPQKHIOMIJOJZ-HZPDHXFCSA-N 2 0 355.404 2.165 10 0 FEAERP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105244065 543166995 /nfs/dbraw/zinc/16/69/95/543166995.db2.gz IADJDGPALVGOJP-LJQANCHMSA-N 2 0 374.529 2.397 10 0 FEAERP CC(C)NC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127462 543205071 /nfs/dbraw/zinc/20/50/71/543205071.db2.gz SWXZXZKLMLJELN-HXUWFJFHSA-N 2 0 361.530 2.279 10 0 FEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117052330 543622736 /nfs/dbraw/zinc/62/27/36/543622736.db2.gz VLEIBXMVDGGHEI-PXNSSMCTSA-N 2 0 374.529 2.184 10 0 FEAERP C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000116791107 543615936 /nfs/dbraw/zinc/61/59/36/543615936.db2.gz LEOWLVRVVWWQPT-NQIIRXRSSA-N 2 0 373.541 2.119 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000189495471 328151713 /nfs/dbraw/zinc/15/17/13/328151713.db2.gz KLURGIBCIBVVNS-LPHOPBHVSA-N 2 0 372.513 2.162 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000191131228 328251238 /nfs/dbraw/zinc/25/12/38/328251238.db2.gz PFJHYHZIQYUUPS-SFHVURJKSA-N 2 0 362.518 2.253 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000118881482 326109855 /nfs/dbraw/zinc/10/98/55/326109855.db2.gz FUKKSBWIEFCKLA-HXUWFJFHSA-N 2 0 360.546 2.140 10 0 FEAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000170941614 327108406 /nfs/dbraw/zinc/10/84/06/327108406.db2.gz WLROISGPCIXBOZ-UYAOXDASSA-N 2 0 364.530 2.068 10 0 FEAERP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000170941616 327108471 /nfs/dbraw/zinc/10/84/71/327108471.db2.gz WLROISGPCIXBOZ-QUCCMNQESA-N 2 0 364.530 2.068 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000174181914 327311295 /nfs/dbraw/zinc/31/12/95/327311295.db2.gz OCDMGYQOFUZJIV-QZTJIDSGSA-N 2 0 368.485 2.344 10 0 FEAERP [NH3+][C@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000262661961 328879387 /nfs/dbraw/zinc/87/93/87/328879387.db2.gz GPLMMPUIFUFCPF-RTWAWAEBSA-N 2 0 367.493 2.248 10 0 FEAERP COCCN1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1C ZINC000176495928 546454290 /nfs/dbraw/zinc/45/42/90/546454290.db2.gz ZBGRBQYJIXORMS-QGZVFWFLSA-N 2 0 366.550 2.146 10 0 FEAERP CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000178779269 546847668 /nfs/dbraw/zinc/84/76/68/546847668.db2.gz MUMHKCRWTILGLC-SJLPKXTDSA-N 2 0 359.495 2.280 10 0 FEAERP CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668819 547154106 /nfs/dbraw/zinc/15/41/06/547154106.db2.gz LKSIFEWSXYJTNI-SJORKVTESA-N 2 0 355.486 2.076 10 0 FEAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000181778823 547378942 /nfs/dbraw/zinc/37/89/42/547378942.db2.gz RJHOYDBBHZNYFV-FUHWJXTLSA-N 2 0 370.582 2.087 10 0 FEAERP COc1cccc([C@@H]2[C@H](NC(=O)N3CC[C@H]([NH+](C)C)C3)CC[N@@H+]2C2CC2)c1 ZINC000183765043 547716284 /nfs/dbraw/zinc/71/62/84/547716284.db2.gz FSKLSHYFNHZOSO-DFQSSKMNSA-N 2 0 372.513 2.319 10 0 FEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000246121072 549056328 /nfs/dbraw/zinc/05/63/28/549056328.db2.gz DAZAREUENWBZKR-PXNSSMCTSA-N 2 0 361.530 2.231 10 0 FEAERP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246260738 549091382 /nfs/dbraw/zinc/09/13/82/549091382.db2.gz GHCQZLKJPBQZHP-ZJPYXAASSA-N 2 0 353.551 2.189 10 0 FEAERP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247605816 549365810 /nfs/dbraw/zinc/36/58/10/549365810.db2.gz LPUURABJVNXLIM-ZWKOTPCHSA-N 2 0 361.530 2.058 10 0 FEAERP CCN(C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000247870682 549387271 /nfs/dbraw/zinc/38/72/71/549387271.db2.gz XKVHQNFQJIMASX-ZWKOTPCHSA-N 2 0 361.530 2.453 10 0 FEAERP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1CCOC ZINC000247980033 549398028 /nfs/dbraw/zinc/39/80/28/549398028.db2.gz HHTUBKYNQPBJJJ-HSALFYBXSA-N 2 0 374.529 2.184 10 0 FEAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000248798118 549503433 /nfs/dbraw/zinc/50/34/33/549503433.db2.gz ZLWKNSFKLZBAIM-UXHICEINSA-N 2 0 356.514 2.388 10 0 FEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000248845552 549512487 /nfs/dbraw/zinc/51/24/87/549512487.db2.gz RPWBIPGISBFWMV-JTEYQQGYSA-N 2 0 364.530 2.420 10 0 FEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000251667614 549650641 /nfs/dbraw/zinc/65/06/41/549650641.db2.gz LNZOMRULBHLBTA-PMACEKPBSA-N 2 0 356.514 2.387 10 0 FEAERP C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261982489 549777323 /nfs/dbraw/zinc/77/73/23/549777323.db2.gz ROGOCDBXIWHROK-CVEARBPZSA-N 2 0 351.516 2.219 10 0 FEAERP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CC(F)(F)CN2)C[N@@H+]1Cc1ccccc1 ZINC000262695558 549840370 /nfs/dbraw/zinc/84/03/70/549840370.db2.gz BDTWYVVEWCRNFU-DJIMGWMZSA-N 2 0 351.441 2.401 10 0 FEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237093853 672806512 /nfs/dbraw/zinc/80/65/12/672806512.db2.gz WBOZBSQRXNTNLT-SUNYJGFJSA-N 2 0 350.482 2.128 10 0 FEAERP C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000116791104 543615814 /nfs/dbraw/zinc/61/58/14/543615814.db2.gz LEOWLVRVVWWQPT-WIYYLYMNSA-N 2 0 373.541 2.119 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000132361032 544228502 /nfs/dbraw/zinc/22/85/02/544228502.db2.gz IJQYLXBBWOEJFW-MJGOQNOKSA-N 2 0 366.550 2.002 10 0 FEAERP CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+](C)C ZINC000136533396 544374101 /nfs/dbraw/zinc/37/41/01/544374101.db2.gz VQLGRQZDGFGPSN-SFHVURJKSA-N 2 0 360.502 2.053 10 0 FEAERP COC(=O)c1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)s1 ZINC000151063113 544500895 /nfs/dbraw/zinc/50/08/95/544500895.db2.gz KFRSHKSRQINTKJ-ZDUSSCGKSA-N 2 0 354.516 2.368 10 0 FEAERP O=C1Nc2ccccc2C12CCC([NH2+]CC1CC[NH+](CCO)CC1)CC2 ZINC000151872438 544591131 /nfs/dbraw/zinc/59/11/31/544591131.db2.gz QUYXDPZLJDHRFL-UHFFFAOYSA-N 2 0 357.498 2.113 10 0 FEAERP COc1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)nn1C ZINC000180798206 327702477 /nfs/dbraw/zinc/70/24/77/327702477.db2.gz MBMFAWGBYVBRDS-UHFFFAOYSA-N 2 0 350.507 2.062 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000181420019 327729677 /nfs/dbraw/zinc/72/96/77/327729677.db2.gz VQIVLGBVAUAEBB-SFHVURJKSA-N 2 0 368.566 2.251 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](C)C2CCCC2)C[C@@H]1CC ZINC000117046372 326048879 /nfs/dbraw/zinc/04/88/79/326048879.db2.gz LWKLJTMTVLPYBI-KRWDZBQOSA-N 2 0 354.539 2.003 10 0 FEAERP COCCOc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121138459 326316328 /nfs/dbraw/zinc/31/63/28/326316328.db2.gz RAAAUFBXZUVZRG-QGZVFWFLSA-N 2 0 350.503 2.236 10 0 FEAERP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000151332196 326679896 /nfs/dbraw/zinc/67/98/96/326679896.db2.gz XLHJUOVYYMBRMH-BQIYRTECSA-N 2 0 357.498 2.256 10 0 FEAERP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)sc2n1 ZINC000171651165 327151793 /nfs/dbraw/zinc/15/17/93/327151793.db2.gz BWCYQDFJAXXCDT-AWEZNQCLSA-N 2 0 370.482 2.097 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000173745931 327280909 /nfs/dbraw/zinc/28/09/09/327280909.db2.gz HVBWHOCHEMFVRK-VQTJNVASSA-N 2 0 371.529 2.314 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000173833160 327287668 /nfs/dbraw/zinc/28/76/68/327287668.db2.gz YDVREAURUOYPPE-WOJBJXKFSA-N 2 0 356.514 2.313 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000176151908 546414795 /nfs/dbraw/zinc/41/47/95/546414795.db2.gz LILVOSCABSITBG-HKUYNNGSSA-N 2 0 362.518 2.424 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000177390687 546607111 /nfs/dbraw/zinc/60/71/11/546607111.db2.gz KVYNDRUPWMUZAO-SFHVURJKSA-N 2 0 362.518 2.253 10 0 FEAERP CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180621292 547143913 /nfs/dbraw/zinc/14/39/13/547143913.db2.gz IVDZZXAZWNVRHD-DOTOQJQBSA-N 2 0 357.502 2.447 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000194156917 548443044 /nfs/dbraw/zinc/44/30/44/548443044.db2.gz OUYKGAKTIJNSFY-LJQANCHMSA-N 2 0 372.513 2.212 10 0 FEAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000194432141 548481676 /nfs/dbraw/zinc/48/16/76/548481676.db2.gz ZLWKNSFKLZBAIM-VQTJNVASSA-N 2 0 356.514 2.388 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000245469031 548929419 /nfs/dbraw/zinc/92/94/19/548929419.db2.gz LILVOSCABSITBG-IEBWSBKVSA-N 2 0 362.518 2.424 10 0 FEAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000246121061 549056656 /nfs/dbraw/zinc/05/66/56/549056656.db2.gz DAZAREUENWBZKR-FXAWDEMLSA-N 2 0 361.530 2.231 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000246593693 549169976 /nfs/dbraw/zinc/16/99/76/549169976.db2.gz PNOFIXBURUNFFI-NJYVYQBISA-N 2 0 371.525 2.363 10 0 FEAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246696784 549191298 /nfs/dbraw/zinc/19/12/98/549191298.db2.gz AROAXUWFEJQGOE-PMACEKPBSA-N 2 0 356.514 2.041 10 0 FEAERP CC[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246793257 549214612 /nfs/dbraw/zinc/21/46/12/549214612.db2.gz JLPYUKYLCROOED-FXAWDEMLSA-N 2 0 359.514 2.200 10 0 FEAERP c1ncn([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@@H](n4cncn4)C3)C2)n1 ZINC000246833745 549224833 /nfs/dbraw/zinc/22/48/33/549224833.db2.gz BZCAOEXHIJMGJT-RTBURBONSA-N 2 0 372.521 2.014 10 0 FEAERP C(C[NH+]1CCO[C@H]2CCCC[C@H]21)OCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247152775 549291540 /nfs/dbraw/zinc/29/15/40/549291540.db2.gz UIPWEEZTJSCMBX-ZRNYENFQSA-N 2 0 352.519 2.290 10 0 FEAERP C[C@@H](C(=O)NCCc1ccccc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261861213 549763515 /nfs/dbraw/zinc/76/35/15/549763515.db2.gz WJLICKVESLRPJJ-WMQCIHAUSA-N 2 0 351.494 2.408 10 0 FEAERP NC(=O)[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000112549922 543451272 /nfs/dbraw/zinc/45/12/72/543451272.db2.gz POEQDBJYMWLKBZ-RTWAWAEBSA-N 2 0 367.493 2.248 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000247470017 549338910 /nfs/dbraw/zinc/33/89/10/549338910.db2.gz RPJKSKFEBDWEGA-GIVPXCGWSA-N 2 0 370.541 2.429 10 0 FEAERP Cc1ccc([C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000117040936 543621901 /nfs/dbraw/zinc/62/19/01/543621901.db2.gz BOMDJJRYLXRTOJ-PMACEKPBSA-N 2 0 374.529 2.104 10 0 FEAERP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000117478730 543633700 /nfs/dbraw/zinc/63/37/00/543633700.db2.gz GQGWUIRSACDYID-OALUTQOASA-N 2 0 368.566 2.251 10 0 FEAERP CC(C)OC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000123113597 543742778 /nfs/dbraw/zinc/74/27/78/543742778.db2.gz XLTOMJROYMAUHQ-RTWAWAEBSA-N 2 0 364.530 2.150 10 0 FEAERP C[NH+](C)C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000128581262 544061151 /nfs/dbraw/zinc/06/11/51/544061151.db2.gz VXCNHHKSXGRZOL-IBGZPJMESA-N 2 0 359.514 2.441 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@@H](C)C1 ZINC000132252362 544224248 /nfs/dbraw/zinc/22/42/48/544224248.db2.gz WVSKYKLZAFHYED-IRXDYDNUSA-N 2 0 368.591 2.376 10 0 FEAERP C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000151804812 544582263 /nfs/dbraw/zinc/58/22/63/544582263.db2.gz OYJPVNRCDZPAMW-SFHVURJKSA-N 2 0 366.550 2.005 10 0 FEAERP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000152019608 544607399 /nfs/dbraw/zinc/60/73/99/544607399.db2.gz QLTCIFKSRMTKFT-XLIONFOSSA-N 2 0 374.529 2.089 10 0 FEAERP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCOCC2 ZINC000186346578 327958003 /nfs/dbraw/zinc/95/80/03/327958003.db2.gz YNMZHECOARNJNP-QXAKKESOSA-N 2 0 352.519 2.051 10 0 FEAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186437407 327961861 /nfs/dbraw/zinc/96/18/61/327961861.db2.gz UJOJURBWQOQWBS-MSOLQXFVSA-N 2 0 363.502 2.086 10 0 FEAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000190499311 328211814 /nfs/dbraw/zinc/21/18/14/328211814.db2.gz FFISEDSZYNWODZ-VQTJNVASSA-N 2 0 373.545 2.277 10 0 FEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000192785748 328339559 /nfs/dbraw/zinc/33/95/59/328339559.db2.gz ACQMMZYNMLWASL-KRWDZBQOSA-N 2 0 367.559 2.157 10 0 FEAERP C[NH+](C)C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000117024632 326047916 /nfs/dbraw/zinc/04/79/16/326047916.db2.gz YNDNFBICLOYZLR-SFHVURJKSA-N 2 0 366.550 2.147 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000172080461 327179648 /nfs/dbraw/zinc/17/96/48/327179648.db2.gz GMPLKBNRFVIVDD-WIYYLYMNSA-N 2 0 370.541 2.067 10 0 FEAERP CC(C)N1CCC[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175010407 327367692 /nfs/dbraw/zinc/36/76/92/327367692.db2.gz FLQXQUVGDPKHSH-SFTDATJTSA-N 2 0 373.541 2.421 10 0 FEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261872967 328826092 /nfs/dbraw/zinc/82/60/92/328826092.db2.gz OHRAOAXSAAHWRM-IAGOWNOFSA-N 2 0 359.514 2.289 10 0 FEAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000176893750 546501799 /nfs/dbraw/zinc/50/17/99/546501799.db2.gz JUFJXMILTZXAQG-SFHVURJKSA-N 2 0 373.541 2.447 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000177373739 546602202 /nfs/dbraw/zinc/60/22/02/546602202.db2.gz BSOIDWAYCGVVQQ-LJQANCHMSA-N 2 0 359.518 2.172 10 0 FEAERP COc1cccc([C@@H]2[C@H](NC(=O)N3CC[C@@H]([NH+](C)C)C3)CC[N@@H+]2C2CC2)c1 ZINC000183765030 547716367 /nfs/dbraw/zinc/71/63/67/547716367.db2.gz FSKLSHYFNHZOSO-MISYRCLQSA-N 2 0 372.513 2.319 10 0 FEAERP [NH3+]CCCCCCCNC(=O)CCCC(=O)NCCCCCCC[NH3+] ZINC000225811271 548743747 /nfs/dbraw/zinc/74/37/47/548743747.db2.gz FZRPTGGPFQCZTR-UHFFFAOYSA-N 2 0 356.555 2.208 10 0 FEAERP CC(C)N1CC[C@@H]([N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000245468332 548930064 /nfs/dbraw/zinc/93/00/64/548930064.db2.gz KPGUYGSNACKWOT-NHCUHLMSSA-N 2 0 373.541 2.373 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000246441304 549133408 /nfs/dbraw/zinc/13/34/08/549133408.db2.gz UCXCYGHMAKHRMK-AQNXPRMDSA-N 2 0 358.530 2.428 10 0 FEAERP C[N@H+](CC[C@H]1CCOC1=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246936158 549246165 /nfs/dbraw/zinc/24/61/65/549246165.db2.gz MXHDWQYTQGOOOW-VQTJNVASSA-N 2 0 360.498 2.317 10 0 FEAERP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247019177 549266596 /nfs/dbraw/zinc/26/65/96/549266596.db2.gz LSEXLIGOHVMKOW-ZWKOTPCHSA-N 2 0 359.470 2.495 10 0 FEAERP CC[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1CCOC ZINC000247266082 549308959 /nfs/dbraw/zinc/30/89/59/549308959.db2.gz ZAFGMIRQHHEBRW-IAGOWNOFSA-N 2 0 356.555 2.105 10 0 FEAERP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000247777311 549379818 /nfs/dbraw/zinc/37/98/18/549379818.db2.gz QXOAMAGMMFZALZ-HZPDHXFCSA-N 2 0 363.502 2.047 10 0 FEAERP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1CCOC ZINC000247980029 549397924 /nfs/dbraw/zinc/39/79/24/549397924.db2.gz HHTUBKYNQPBJJJ-AABGKKOBSA-N 2 0 374.529 2.184 10 0 FEAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000248798115 549503347 /nfs/dbraw/zinc/50/33/47/549503347.db2.gz ZLWKNSFKLZBAIM-PMACEKPBSA-N 2 0 356.514 2.388 10 0 FEAERP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249208575 549569448 /nfs/dbraw/zinc/56/94/48/549569448.db2.gz CFNRDAZZCJNZHE-OTWHNJEPSA-N 2 0 351.535 2.209 10 0 FEAERP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261938510 549771735 /nfs/dbraw/zinc/77/17/35/549771735.db2.gz MPBMSLMPKKPKSZ-AQNXPRMDSA-N 2 0 357.498 2.056 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])COC)c1ccc(C(F)(F)F)cc1 ZINC000262171587 549795633 /nfs/dbraw/zinc/79/56/33/549795633.db2.gz AUZDGYQNZNCMBX-GJZGRUSLSA-N 2 0 361.408 2.178 10 0 FEAERP C[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)[C@H]1CCCO1 ZINC000183098590 672460108 /nfs/dbraw/zinc/46/01/08/672460108.db2.gz BGNABJIRIKYVDP-GDBMZVCRSA-N 2 0 366.531 2.471 10 0 FEAERP CC(C)CC[N@@H+]1CCOc2ccc(CN3CC[NH+](CCO)CC3)cc2C1 ZINC000022911980 539702111 /nfs/dbraw/zinc/70/21/11/539702111.db2.gz CNAPYGFTJJUOSK-UHFFFAOYSA-N 2 0 361.530 2.037 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000052594507 540476135 /nfs/dbraw/zinc/47/61/35/540476135.db2.gz JJHMCMKUMDQVLM-LJQANCHMSA-N 2 0 374.529 2.397 10 0 FEAERP CC[N@@H+]1CCN(c2nc(-c3ccncc3)nc3c2CC[NH2+]C3)CC1(C)C ZINC000071745413 136139906 /nfs/dbraw/zinc/13/99/06/136139906.db2.gz MLHOYANKWVKDKH-UHFFFAOYSA-N 2 0 352.486 2.105 10 0 FEAERP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105150141 543162346 /nfs/dbraw/zinc/16/23/46/543162346.db2.gz VNFTUTRYXSVKCL-QGZVFWFLSA-N 2 0 366.575 2.228 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[C@H]1CC ZINC000117032121 543621721 /nfs/dbraw/zinc/62/17/21/543621721.db2.gz YKBGDKPNBYZTIZ-ZWKOTPCHSA-N 2 0 354.539 2.003 10 0 FEAERP CC[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)CC[N@@H+]1CCOC ZINC000130695065 544161250 /nfs/dbraw/zinc/16/12/50/544161250.db2.gz RPWGRSYWBLFGNW-OALUTQOASA-N 2 0 368.566 2.107 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000247542709 549354369 /nfs/dbraw/zinc/35/43/69/549354369.db2.gz YOCXLLTYCBGGBZ-ZBFHGGJFSA-N 2 0 357.433 2.390 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091232627 325381921 /nfs/dbraw/zinc/38/19/21/325381921.db2.gz PPAHLGKPFOITAH-QFBILLFUSA-N 2 0 357.502 2.176 10 0 FEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117050388 326049109 /nfs/dbraw/zinc/04/91/09/326049109.db2.gz QILYGTJSVQXUAZ-SJLPKXTDSA-N 2 0 362.518 2.088 10 0 FEAERP CC1CC[NH+](CC(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000121772682 326366087 /nfs/dbraw/zinc/36/60/87/326366087.db2.gz YHUWWLDSYVCEAI-NRFANRHFSA-N 2 0 373.541 2.280 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000171048342 327114414 /nfs/dbraw/zinc/11/44/14/327114414.db2.gz VCRKARVYACEQPH-IBGZPJMESA-N 2 0 373.545 2.214 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000171351238 327134071 /nfs/dbraw/zinc/13/40/71/327134071.db2.gz PMBAWMYZCWNIPP-PMACEKPBSA-N 2 0 358.530 2.335 10 0 FEAERP COc1ccccc1[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCC1 ZINC000171897982 327167914 /nfs/dbraw/zinc/16/79/14/327167914.db2.gz MSFFBQLKUAYRGU-IEBWSBKVSA-N 2 0 372.513 2.322 10 0 FEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900715 327168564 /nfs/dbraw/zinc/16/85/64/327168564.db2.gz MMUHAIVPIVZTPK-LJQANCHMSA-N 2 0 374.529 2.397 10 0 FEAERP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905460 327169246 /nfs/dbraw/zinc/16/92/46/327169246.db2.gz WWGTVMPXYFBIFZ-QGZVFWFLSA-N 2 0 362.543 2.450 10 0 FEAERP O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171978552 327174037 /nfs/dbraw/zinc/17/40/37/327174037.db2.gz ILQVQYVIFFVZQR-QGZVFWFLSA-N 2 0 366.575 2.228 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000173471964 327259593 /nfs/dbraw/zinc/25/95/93/327259593.db2.gz PTPNUTGYCGEXQC-LEWJYISDSA-N 2 0 370.541 2.133 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000173471951 327259794 /nfs/dbraw/zinc/25/97/94/327259794.db2.gz PTPNUTGYCGEXQC-NHCUHLMSSA-N 2 0 370.541 2.133 10 0 FEAERP CC(C)N1CC[C@@H]([N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175191704 327378840 /nfs/dbraw/zinc/37/88/40/327378840.db2.gz KPGUYGSNACKWOT-RTWAWAEBSA-N 2 0 373.541 2.373 10 0 FEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261649224 328808396 /nfs/dbraw/zinc/80/83/96/328808396.db2.gz DZHLIGPSOHZLSY-DKKFBQAASA-N 2 0 359.514 2.108 10 0 FEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262048438 328838229 /nfs/dbraw/zinc/83/82/29/328838229.db2.gz ZIWDIYDVGRHTFR-BHDDXSALSA-N 2 0 373.541 2.408 10 0 FEAERP c1cc(C2CC[NH+](CCOCC[NH+]3CCC(c4cc[nH]n4)CC3)CC2)n[nH]1 ZINC000178617160 546821328 /nfs/dbraw/zinc/82/13/28/546821328.db2.gz RSONEUYPOVQYNU-UHFFFAOYSA-N 2 0 372.517 2.208 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000181802696 547384150 /nfs/dbraw/zinc/38/41/50/547384150.db2.gz JXNPIKGQOOJLHN-RTBURBONSA-N 2 0 368.566 2.129 10 0 FEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000194325655 548466154 /nfs/dbraw/zinc/46/61/54/548466154.db2.gz OOTIXOYSNMXBDX-QGZVFWFLSA-N 2 0 359.518 2.434 10 0 FEAERP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC000195122100 548581277 /nfs/dbraw/zinc/58/12/77/548581277.db2.gz IPEIKQCZTGKMLU-AEFFLSMTSA-N 2 0 360.502 2.226 10 0 FEAERP CCC[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000245513098 548936788 /nfs/dbraw/zinc/93/67/88/548936788.db2.gz OKKARFSMYOHIOG-SJLPKXTDSA-N 2 0 360.502 2.053 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000246747737 549202362 /nfs/dbraw/zinc/20/23/62/549202362.db2.gz BFOVYWITFCFSCN-PZJWPPBQSA-N 2 0 372.557 2.434 10 0 FEAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C12CCOCC2 ZINC000249054380 549543309 /nfs/dbraw/zinc/54/33/09/549543309.db2.gz XHSQQFZMKKDHAV-NJDAHSKKSA-N 2 0 374.525 2.317 10 0 FEAERP COc1cc(NC(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(OC)c1 ZINC000261768675 549753449 /nfs/dbraw/zinc/75/34/49/549753449.db2.gz OQKFVSFGKDMCAG-UZLBHIALSA-N 2 0 369.465 2.317 10 0 FEAERP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CC(F)(F)CN2)C[N@@H+]1Cc1ccccc1 ZINC000262695559 549840352 /nfs/dbraw/zinc/84/03/52/549840352.db2.gz BDTWYVVEWCRNFU-HYVNUMGLSA-N 2 0 351.441 2.401 10 0 FEAERP CCn1ccnc1CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000583621389 570810868 /nfs/dbraw/zinc/81/08/68/570810868.db2.gz AFGHQWUQQGVYRY-PKOBYXMFSA-N 2 0 367.497 2.074 10 0 FEAERP COc1ccc(Br)cc1C[N@@H+]1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782186 672322188 /nfs/dbraw/zinc/32/21/88/672322188.db2.gz BVKAXNJWKKVBTJ-CQSZACIVSA-N 2 0 369.303 2.252 10 0 FEAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000178853941 672395867 /nfs/dbraw/zinc/39/58/67/672395867.db2.gz OZGVRMHRYVPROW-BRWVUGGUSA-N 2 0 355.523 2.475 10 0 FEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183502253 672470043 /nfs/dbraw/zinc/47/00/43/672470043.db2.gz APSGGBSSRUOGSB-SJORKVTESA-N 2 0 354.539 2.002 10 0 FEAERP COc1ccc(C[NH2+]Cc2ccncc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012436242 539559976 /nfs/dbraw/zinc/55/99/76/539559976.db2.gz HJOUCSNSTJIWKI-LJQANCHMSA-N 2 0 373.497 2.460 10 0 FEAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3CN(C)CCO3)cc2)C1 ZINC000104787342 543143977 /nfs/dbraw/zinc/14/39/77/543143977.db2.gz SLDMGCILWWBPQY-YLJYHZDGSA-N 2 0 374.529 2.048 10 0 FEAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000117040266 543621591 /nfs/dbraw/zinc/62/15/91/543621591.db2.gz KOGCAFGKXDQRDK-UXHICEINSA-N 2 0 374.529 2.013 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000247497136 549345211 /nfs/dbraw/zinc/34/52/11/549345211.db2.gz USKDJCYMVAWSFZ-AEFFLSMTSA-N 2 0 360.502 2.005 10 0 FEAERP COC(=O)c1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)s1 ZINC000151063059 544500792 /nfs/dbraw/zinc/50/07/92/544500792.db2.gz KFRSHKSRQINTKJ-CYBMUJFWSA-N 2 0 354.516 2.368 10 0 FEAERP CC[N@H+](CC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000153174396 544742304 /nfs/dbraw/zinc/74/23/04/544742304.db2.gz NGYVCNFGDUAEHJ-FQEVSTJZSA-N 2 0 359.514 2.033 10 0 FEAERP CCC[C@@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000179547148 327649214 /nfs/dbraw/zinc/64/92/14/327649214.db2.gz LTPHYRCFJHZQCN-FQEVSTJZSA-N 2 0 360.546 2.435 10 0 FEAERP C[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000190697414 328225513 /nfs/dbraw/zinc/22/55/13/328225513.db2.gz BDMXDHGISWEFKP-UYAOXDASSA-N 2 0 373.545 2.277 10 0 FEAERP CCCCNC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112550003 325790280 /nfs/dbraw/zinc/79/02/80/325790280.db2.gz UCCVCMVKCAWRCC-YLJYHZDGSA-N 2 0 361.530 2.326 10 0 FEAERP Cc1ccc(N2CC[C@H]([N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)cc1 ZINC000119184409 326135477 /nfs/dbraw/zinc/13/54/77/326135477.db2.gz OJKKRFNSBNXRRS-XLIONFOSSA-N 2 0 359.514 2.125 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000121100156 326313383 /nfs/dbraw/zinc/31/33/83/326313383.db2.gz POVYPNIRUSZFLF-INIZCTEOSA-N 2 0 357.502 2.007 10 0 FEAERP CCC[C@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000161530418 327002050 /nfs/dbraw/zinc/00/20/50/327002050.db2.gz ARFLLSWNBIPLSK-HXUWFJFHSA-N 2 0 360.546 2.041 10 0 FEAERP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C[C@@H](C)O1 ZINC000170828764 327100962 /nfs/dbraw/zinc/10/09/62/327100962.db2.gz CEXMRVQVWBLRMD-HLIPFELVSA-N 2 0 374.529 2.141 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)c1 ZINC000170863275 327103566 /nfs/dbraw/zinc/10/35/66/327103566.db2.gz OJJZZZTWZBPQKI-HKUYNNGSSA-N 2 0 360.502 2.178 10 0 FEAERP COC(=O)c1cc(F)ccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000170941664 327108423 /nfs/dbraw/zinc/10/84/23/327108423.db2.gz ZGPMWQGIUJRNIC-CQSZACIVSA-N 2 0 352.450 2.137 10 0 FEAERP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000170941846 327108936 /nfs/dbraw/zinc/10/89/36/327108936.db2.gz CQQWAURZKJSKCS-QUCCMNQESA-N 2 0 364.530 2.068 10 0 FEAERP COc1cccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000171898170 327168242 /nfs/dbraw/zinc/16/82/42/327168242.db2.gz KYFHTPQNVBEEEH-UYAOXDASSA-N 2 0 372.513 2.322 10 0 FEAERP C[C@@H](NC(=O)NCCN1CCOCC1(C)C)c1cccc(-n2ccnc2)c1 ZINC000173180152 327239639 /nfs/dbraw/zinc/23/96/39/327239639.db2.gz SFJOHUWUQONINJ-MRXNPFEDSA-N 2 0 371.485 2.343 10 0 FEAERP C[NH+](C)CCCOC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000177087310 327496531 /nfs/dbraw/zinc/49/65/31/327496531.db2.gz FSKSTEANFFNWHK-FQEVSTJZSA-N 2 0 361.530 2.119 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@@H](C)C1 ZINC000157495686 545748245 /nfs/dbraw/zinc/74/82/45/545748245.db2.gz RXWGZDYPBJEAIN-LPHOPBHVSA-N 2 0 359.518 2.074 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000176228878 546421716 /nfs/dbraw/zinc/42/17/16/546421716.db2.gz AXFZIXKRMABBQS-QGZVFWFLSA-N 2 0 368.591 2.474 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000177377026 546603718 /nfs/dbraw/zinc/60/37/18/546603718.db2.gz HNLRKTSDNYFKAN-LJQANCHMSA-N 2 0 359.518 2.172 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000192344567 548362641 /nfs/dbraw/zinc/36/26/41/548362641.db2.gz DMBRDHLZQQQMJE-WOJBJXKFSA-N 2 0 374.529 2.061 10 0 FEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246395498 549124568 /nfs/dbraw/zinc/12/45/68/549124568.db2.gz KZRVHIUUIMCLNZ-APWZRJJASA-N 2 0 374.529 2.312 10 0 FEAERP CC[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000246972142 549253901 /nfs/dbraw/zinc/25/39/01/549253901.db2.gz DXAJSNXCPNLEST-JKSUJKDBSA-N 2 0 368.547 2.103 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)[C@@H](C)C1 ZINC000247272215 549310153 /nfs/dbraw/zinc/31/01/53/549310153.db2.gz RKGKOTJMQKZZDM-FHWLQOOXSA-N 2 0 366.550 2.003 10 0 FEAERP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000248651346 549477647 /nfs/dbraw/zinc/47/76/47/549477647.db2.gz MVBRSTBTHVCCAN-NSHGMRRFSA-N 2 0 358.530 2.340 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000248751579 549495858 /nfs/dbraw/zinc/49/58/58/549495858.db2.gz KLURGIBCIBVVNS-VQIMIIECSA-N 2 0 372.513 2.162 10 0 FEAERP COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000249735160 549621271 /nfs/dbraw/zinc/62/12/71/549621271.db2.gz DHEYMEQWKYMDTJ-IEBWSBKVSA-N 2 0 360.502 2.226 10 0 FEAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000252032644 549661754 /nfs/dbraw/zinc/66/17/54/549661754.db2.gz ZVGAEGZFXSYVKV-XUVXKRRUSA-N 2 0 373.545 2.418 10 0 FEAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000261864731 549763015 /nfs/dbraw/zinc/76/30/15/549763015.db2.gz WRTYEZSLYYANTE-MJGOQNOKSA-N 2 0 366.465 2.399 10 0 FEAERP CN(C)S(=O)(=O)c1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261861014 549763162 /nfs/dbraw/zinc/76/31/62/549763162.db2.gz WHHBLMMMSSCEAK-QUCCMNQESA-N 2 0 373.522 2.111 10 0 FEAERP CC(C)c1cc(N2CC[NH+]3CCC[C@@H]3C2)nc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000302766498 553731746 /nfs/dbraw/zinc/73/17/46/553731746.db2.gz LSXARSCEXQZMQC-MSOLQXFVSA-N 2 0 370.545 2.169 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000130027991 672069341 /nfs/dbraw/zinc/06/93/41/672069341.db2.gz ZSIVIOGWNKIWCC-IRXDYDNUSA-N 2 0 355.523 2.070 10 0 FEAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000178853914 672395850 /nfs/dbraw/zinc/39/58/50/672395850.db2.gz OZGVRMHRYVPROW-IXDOHACOSA-N 2 0 355.523 2.475 10 0 FEAERP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649305140 677329034 /nfs/dbraw/zinc/32/90/34/677329034.db2.gz GPSUODOOHCYZRM-DLBZAZTESA-N 2 0 351.441 2.402 10 0 FEAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653120731 677516730 /nfs/dbraw/zinc/51/67/30/677516730.db2.gz YQJWEPFWAMFKGE-BZUAXINKSA-N 2 0 355.404 2.165 10 0 FEAERP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000653122370 677516758 /nfs/dbraw/zinc/51/67/58/677516758.db2.gz VDCQNENXEWYNNZ-ARLBYUKCSA-N 2 0 355.404 2.164 10 0 FEAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000049381291 540388783 /nfs/dbraw/zinc/38/87/83/540388783.db2.gz IKZFBWKDYIBXPQ-IBGZPJMESA-N 2 0 368.481 2.106 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000106124774 543204809 /nfs/dbraw/zinc/20/48/09/543204809.db2.gz RMXQKGDUOMKCDV-HNNXBMFYSA-N 2 0 351.466 2.179 10 0 FEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000152431529 544652599 /nfs/dbraw/zinc/65/25/99/544652599.db2.gz WGEVLTXOHUAEJY-GOSISDBHSA-N 2 0 368.566 2.249 10 0 FEAERP COc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000171896330 327167978 /nfs/dbraw/zinc/16/79/78/327167978.db2.gz VAPFZODQEBEKDY-UYAOXDASSA-N 2 0 372.513 2.322 10 0 FEAERP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175645942 546327373 /nfs/dbraw/zinc/32/73/73/546327373.db2.gz OFKYVPOCTDVADY-YZGWKJHDSA-N 2 0 374.529 2.012 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000177377042 546604156 /nfs/dbraw/zinc/60/41/56/546604156.db2.gz HNLRKTSDNYFKAN-IBGZPJMESA-N 2 0 359.518 2.172 10 0 FEAERP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000187053926 548248314 /nfs/dbraw/zinc/24/83/14/548248314.db2.gz ZNOBBPZIVGYBBX-HXUWFJFHSA-N 2 0 374.529 2.063 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000246593699 549170699 /nfs/dbraw/zinc/17/06/99/549170699.db2.gz PNOFIXBURUNFFI-QHAWAJNXSA-N 2 0 371.525 2.363 10 0 FEAERP CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246721745 549196858 /nfs/dbraw/zinc/19/68/58/549196858.db2.gz GELOIEIDKLAZPF-HZPDHXFCSA-N 2 0 368.547 2.149 10 0 FEAERP C[N@H+](CC[C@@H]1CCOC1=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246936180 549245269 /nfs/dbraw/zinc/24/52/69/549245269.db2.gz MXHDWQYTQGOOOW-WOJBJXKFSA-N 2 0 360.498 2.317 10 0 FEAERP Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000247581055 549362403 /nfs/dbraw/zinc/36/24/03/549362403.db2.gz ILDVCOIPRHEGJR-ROUUACIJSA-N 2 0 361.530 2.024 10 0 FEAERP [NH3+][C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780696 549755081 /nfs/dbraw/zinc/75/50/81/549755081.db2.gz MZFLDTVIXRDPKX-UNMCSNQZSA-N 2 0 371.525 2.255 10 0 FEAERP FC(F)(F)COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)ccn1 ZINC000261861071 549763458 /nfs/dbraw/zinc/76/34/58/549763458.db2.gz CDODYYLORLUFQA-KFWWJZLASA-N 2 0 359.392 2.269 10 0 FEAERP O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000262065452 672908545 /nfs/dbraw/zinc/90/85/45/672908545.db2.gz BBCCDVGOZHQTOS-RTXFEEFZSA-N 2 0 372.309 2.229 10 0 FEAERP CC[NH+](CC)CCOC(=O)N(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC000032139372 539929537 /nfs/dbraw/zinc/92/95/37/539929537.db2.gz WYSNKYGFHNBDRJ-UHFFFAOYSA-N 3 0 358.571 2.450 10 0 FEAERP FC(F)(F)CNCCC[NH2+]CCCC[NH2+]CCCNCC(F)(F)F ZINC000013603056 220078583 /nfs/dbraw/zinc/07/85/83/220078583.db2.gz BWFFJKUUEUOBNI-UHFFFAOYSA-N 2 0 366.394 2.030 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000106124543 543204895 /nfs/dbraw/zinc/20/48/95/543204895.db2.gz VCPMQRVSTNDWLM-GOSISDBHSA-N 2 0 373.541 2.202 10 0 FEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106908118 543254842 /nfs/dbraw/zinc/25/48/42/543254842.db2.gz DQPLZMYLEJCETD-NRFANRHFSA-N 2 0 369.509 2.416 10 0 FEAERP CC[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000117469317 543632758 /nfs/dbraw/zinc/63/27/58/543632758.db2.gz LBIUSZVWPJTPPL-OALUTQOASA-N 2 0 362.518 2.042 10 0 FEAERP CN(c1ccccc1CNC[C@H](O)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000133300390 544264160 /nfs/dbraw/zinc/26/41/60/544264160.db2.gz KAYFWCVFIOEIEZ-NRFANRHFSA-N 2 0 374.573 2.153 10 0 FEAERP CC[N@H+](CC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1)C1CC1 ZINC000153322955 544761597 /nfs/dbraw/zinc/76/15/97/544761597.db2.gz SJRHSJRABULMTQ-MRXNPFEDSA-N 2 0 351.516 2.064 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000189462921 328149780 /nfs/dbraw/zinc/14/97/80/328149780.db2.gz BHFCTTYKOMLJNP-LJQANCHMSA-N 2 0 374.529 2.410 10 0 FEAERP C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189895286 328174797 /nfs/dbraw/zinc/17/47/97/328174797.db2.gz DTOUQIWCLUCPEY-KDOFPFPSSA-N 2 0 350.426 2.062 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc3c2OCOC3)CC1 ZINC000170941899 327108917 /nfs/dbraw/zinc/10/89/17/327108917.db2.gz CUBWNRGBWJQPPA-AWEZNQCLSA-N 2 0 352.450 2.217 10 0 FEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000172134667 327182767 /nfs/dbraw/zinc/18/27/67/327182767.db2.gz FIPAMPYCVLNQDC-HKUYNNGSSA-N 2 0 371.529 2.447 10 0 FEAERP CC(C)N(C)C(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000175191311 327378957 /nfs/dbraw/zinc/37/89/57/327378957.db2.gz BIQWNHPVQVBNCT-PXNSSMCTSA-N 2 0 361.530 2.277 10 0 FEAERP CC(C)[N@H+](C)CC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177455606 546623295 /nfs/dbraw/zinc/62/32/95/546623295.db2.gz WAKJQDMFMHYZRX-FQEVSTJZSA-N 2 0 361.530 2.231 10 0 FEAERP CCN1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668799 547154760 /nfs/dbraw/zinc/15/47/60/547154760.db2.gz LKSIFEWSXYJTNI-IAGOWNOFSA-N 2 0 355.486 2.076 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000195011466 548563948 /nfs/dbraw/zinc/56/39/48/548563948.db2.gz ANMUHNUMCNVOJO-AWEZNQCLSA-N 2 0 363.527 2.125 10 0 FEAERP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)CC[N@@H+]1CCOC ZINC000246489794 549144695 /nfs/dbraw/zinc/14/46/95/549144695.db2.gz RPWGRSYWBLFGNW-RTBURBONSA-N 2 0 368.566 2.107 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246747688 549203360 /nfs/dbraw/zinc/20/33/60/549203360.db2.gz BFLMGVANRJQHOT-VQIMIIECSA-N 2 0 362.518 2.155 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCN2CCc3sccc3C2)C1 ZINC000246862413 549230151 /nfs/dbraw/zinc/23/01/51/549230151.db2.gz FPYGXGSJTRWHOM-GDBMZVCRSA-N 2 0 350.532 2.134 10 0 FEAERP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000247004379 549262973 /nfs/dbraw/zinc/26/29/73/549262973.db2.gz FPFNPNXZYDXCQV-ICSRJNTNSA-N 2 0 364.530 2.068 10 0 FEAERP CN(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000247596886 549364881 /nfs/dbraw/zinc/36/48/81/549364881.db2.gz SPHJJWGAFZGQEA-YOEHRIQHSA-N 2 0 350.894 2.432 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000247805800 549382126 /nfs/dbraw/zinc/38/21/26/549382126.db2.gz SPTVJESGLKNMGR-VIHIWDAPSA-N 2 0 353.551 2.094 10 0 FEAERP c1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000248411167 549431335 /nfs/dbraw/zinc/43/13/35/549431335.db2.gz YYIZJBVCOGJZGD-YRPNKDGESA-N 2 0 351.498 2.483 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261749007 549751544 /nfs/dbraw/zinc/75/15/44/549751544.db2.gz MOHZPGMWENTQQZ-VMGRFDJRSA-N 2 0 366.303 2.318 10 0 FEAERP CC(C)c1cc(N2CC[NH+]3CCC[C@H]3C2)nc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000302766504 553731466 /nfs/dbraw/zinc/73/14/66/553731466.db2.gz LSXARSCEXQZMQC-ZWKOTPCHSA-N 2 0 370.545 2.169 10 0 FEAERP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000131105845 672084047 /nfs/dbraw/zinc/08/40/47/672084047.db2.gz HXCOZMWRHNCYJC-KRWDZBQOSA-N 2 0 355.523 2.070 10 0 FEAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183502236 672470035 /nfs/dbraw/zinc/47/00/35/672470035.db2.gz APSGGBSSRUOGSB-IRXDYDNUSA-N 2 0 354.539 2.002 10 0 FEAERP C[C@@H]1CCCC[N@@H+]1CCN(C)c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000071750810 541770229 /nfs/dbraw/zinc/77/02/29/541770229.db2.gz AIPWTHVPTCEWKW-MRXNPFEDSA-N 2 0 366.513 2.495 10 0 FEAERP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105244849 543166590 /nfs/dbraw/zinc/16/65/90/543166590.db2.gz UJQCWWQNRBVDQP-LEWJYISDSA-N 2 0 370.541 2.431 10 0 FEAERP CCCCNC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112549999 543451566 /nfs/dbraw/zinc/45/15/66/543451566.db2.gz UCCVCMVKCAWRCC-XLIONFOSSA-N 2 0 361.530 2.326 10 0 FEAERP Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000191486058 328267966 /nfs/dbraw/zinc/26/79/66/328267966.db2.gz ATITZFCATDYUTG-FQEVSTJZSA-N 2 0 362.566 2.023 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000117031410 326048419 /nfs/dbraw/zinc/04/84/19/326048419.db2.gz LLEZZVMIWSWRFR-SJORKVTESA-N 2 0 368.547 2.103 10 0 FEAERP CC(C)[C@@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000119875656 326207924 /nfs/dbraw/zinc/20/79/24/326207924.db2.gz FFDVRMSVKGVZIE-SFTDATJTSA-N 2 0 373.541 2.032 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc3c2OCOC3)CC1 ZINC000170941900 327109083 /nfs/dbraw/zinc/10/90/83/327109083.db2.gz CUBWNRGBWJQPPA-CQSZACIVSA-N 2 0 352.450 2.217 10 0 FEAERP CC(C)N1CCC[C@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175010442 327367716 /nfs/dbraw/zinc/36/77/16/327367716.db2.gz FLQXQUVGDPKHSH-LEWJYISDSA-N 2 0 373.541 2.421 10 0 FEAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000176060898 327431532 /nfs/dbraw/zinc/43/15/32/327431532.db2.gz OVZHHIYRKHJELS-QGZVFWFLSA-N 2 0 362.518 2.088 10 0 FEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000246467225 328619546 /nfs/dbraw/zinc/61/95/46/328619546.db2.gz AKGBWVZNADARFW-PWRODBHTSA-N 2 0 373.541 2.043 10 0 FEAERP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)c2cccs2)CC1 ZINC000261628819 328806879 /nfs/dbraw/zinc/80/68/79/328806879.db2.gz CTOQAONIHDCARQ-WMZOPIPTSA-N 2 0 365.543 2.391 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171900860 546229647 /nfs/dbraw/zinc/22/96/47/546229647.db2.gz WFNALJAOUIGCMH-UXHICEINSA-N 2 0 358.530 2.429 10 0 FEAERP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000178848355 546861624 /nfs/dbraw/zinc/86/16/24/546861624.db2.gz ZALSSYQHIDINRP-IBGZPJMESA-N 2 0 359.514 2.174 10 0 FEAERP O=C(CN1CCCC[C@@H]1c1cn[nH]c1)N1CCN(Cc2cccs2)CC1 ZINC000178871835 546864465 /nfs/dbraw/zinc/86/44/65/546864465.db2.gz UDWGJHOMINGYFB-GOSISDBHSA-N 2 0 373.526 2.343 10 0 FEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCS[C@@H](C)C2)CC1 ZINC000246213806 549080601 /nfs/dbraw/zinc/08/06/01/549080601.db2.gz ZMWFXHNOUSTQIB-SFHVURJKSA-N 2 0 361.555 2.467 10 0 FEAERP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246260725 549091294 /nfs/dbraw/zinc/09/12/94/549091294.db2.gz GHCQZLKJPBQZHP-XWTMOSNGSA-N 2 0 353.551 2.189 10 0 FEAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000246831763 549223497 /nfs/dbraw/zinc/22/34/97/549223497.db2.gz CTOQFUQCGAAYQB-UWVAXJGDSA-N 2 0 356.514 2.311 10 0 FEAERP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000248595291 549464719 /nfs/dbraw/zinc/46/47/19/549464719.db2.gz MFWGPXXBBUWAQP-AZUAARDMSA-N 2 0 359.514 2.186 10 0 FEAERP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC000249741162 549622104 /nfs/dbraw/zinc/62/21/04/549622104.db2.gz IPEIKQCZTGKMLU-FUHWJXTLSA-N 2 0 360.502 2.226 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccco1 ZINC000262696346 549840185 /nfs/dbraw/zinc/84/01/85/549840185.db2.gz BDYXIBCSHRFMOP-WBVHZDCISA-N 2 0 359.474 2.214 10 0 FEAERP CCc1nc(C)sc1C[N@@H+]1CC[C@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091603439 670729713 /nfs/dbraw/zinc/72/97/13/670729713.db2.gz YVXFDQRQOOVWHX-IBGZPJMESA-N 2 0 367.559 2.309 10 0 FEAERP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000247530689 672851492 /nfs/dbraw/zinc/85/14/92/672851492.db2.gz OZGVRMHRYVPROW-ZACQAIPSSA-N 2 0 355.523 2.475 10 0 FEAERP COc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1Br ZINC000038052066 204789133 /nfs/dbraw/zinc/78/91/33/204789133.db2.gz BDXHEGXGWGOKBP-HNNXBMFYSA-N 2 0 356.308 2.484 10 0 FEAERP CCN(C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000106125710 543204985 /nfs/dbraw/zinc/20/49/85/543204985.db2.gz XKVHQNFQJIMASX-QZTJIDSGSA-N 2 0 361.530 2.453 10 0 FEAERP CC[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1CCOC ZINC000117498709 543634602 /nfs/dbraw/zinc/63/46/02/543634602.db2.gz ZAFGMIRQHHEBRW-SJORKVTESA-N 2 0 356.555 2.105 10 0 FEAERP C[NH+](C)C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000117028078 326047816 /nfs/dbraw/zinc/04/78/16/326047816.db2.gz SEQCIJNRNRLDBK-FQEVSTJZSA-N 2 0 374.529 2.145 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000120835186 326292002 /nfs/dbraw/zinc/29/20/02/326292002.db2.gz RESBDEHEFPRANH-KSSFIOAISA-N 2 0 350.482 2.415 10 0 FEAERP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904694 327169216 /nfs/dbraw/zinc/16/92/16/327169216.db2.gz YHHVWDOEIMFWAJ-HXUWFJFHSA-N 2 0 356.514 2.388 10 0 FEAERP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171907193 327169679 /nfs/dbraw/zinc/16/96/79/327169679.db2.gz CSTQROODYRNQEN-SFHVURJKSA-N 2 0 360.502 2.007 10 0 FEAERP CC1CC[NH+]([C@H](CNC(=O)C2([NH3+])CCOCC2)c2cccs2)CC1 ZINC000261863762 328825131 /nfs/dbraw/zinc/82/51/31/328825131.db2.gz NIMAETUFWARYQN-OAHLLOKOSA-N 2 0 351.516 2.145 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000157826512 545789207 /nfs/dbraw/zinc/78/92/07/545789207.db2.gz BFLMGVANRJQHOT-LPHOPBHVSA-N 2 0 362.518 2.155 10 0 FEAERP c1ncn([C@@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908622 545798635 /nfs/dbraw/zinc/79/86/35/545798635.db2.gz BZCAOEXHIJMGJT-KDURUIRLSA-N 2 0 372.521 2.014 10 0 FEAERP c1cc(CN2CC[NH+]3CCC[C@@H]3C2)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178630953 546823585 /nfs/dbraw/zinc/82/35/85/546823585.db2.gz RHCGKEHUIMLOBR-FGZHOGPDSA-N 2 0 354.542 2.247 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)C[C@@H]1CC ZINC000246900978 549238802 /nfs/dbraw/zinc/23/88/02/549238802.db2.gz AIIKLLFZBCSNKX-DLBZAZTESA-N 2 0 366.506 2.025 10 0 FEAERP C(C[NH+]1CCO[C@H]2CCCC[C@H]21)OCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000247152749 549291757 /nfs/dbraw/zinc/29/17/57/549291757.db2.gz UIPWEEZTJSCMBX-JVSBHGNQSA-N 2 0 352.519 2.290 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247324092 549319275 /nfs/dbraw/zinc/31/92/75/549319275.db2.gz MPVWXSSMRUWYJK-UWVAXJGDSA-N 2 0 358.530 2.461 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000247374969 549325669 /nfs/dbraw/zinc/32/56/69/549325669.db2.gz PKCANPBDSHFPRE-YLJYHZDGSA-N 2 0 374.529 2.047 10 0 FEAERP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247882990 549390164 /nfs/dbraw/zinc/39/01/64/549390164.db2.gz ZPPAUBHFBXEYHP-ZWKOTPCHSA-N 2 0 373.541 2.379 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000249234020 549572147 /nfs/dbraw/zinc/57/21/47/549572147.db2.gz VVGVKCJORJAGJN-ROUUACIJSA-N 2 0 372.513 2.080 10 0 FEAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000261661008 549740840 /nfs/dbraw/zinc/74/08/40/549740840.db2.gz GVHYLXKXSBMVAH-AEFFLSMTSA-N 2 0 367.449 2.418 10 0 FEAERP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)nc2)CC1 ZINC000262036068 549781947 /nfs/dbraw/zinc/78/19/47/549781947.db2.gz XYGYJKCPXOZPIO-XUVXKRRUSA-N 2 0 373.545 2.181 10 0 FEAERP COC[C@@H]([NH3+])C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000262314360 549809470 /nfs/dbraw/zinc/80/94/70/549809470.db2.gz DFFHINFVLXSYHI-HXUWFJFHSA-N 2 0 355.482 2.121 10 0 FEAERP C[C@@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)c1ccc(Cl)s1 ZINC000182983817 672457705 /nfs/dbraw/zinc/45/77/05/672457705.db2.gz BRSMPSCXKMCDJM-GFCCVEGCSA-N 2 0 359.923 2.279 10 0 FEAERP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000195193441 672778496 /nfs/dbraw/zinc/77/84/96/672778496.db2.gz ZPJFBBRVOPHBBG-LPHOPBHVSA-N 2 0 355.523 2.070 10 0 FEAERP O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000262065448 672908522 /nfs/dbraw/zinc/90/85/22/672908522.db2.gz BBCCDVGOZHQTOS-CYZMBNFOSA-N 2 0 372.309 2.229 10 0 FEAERP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649305146 677329047 /nfs/dbraw/zinc/32/90/47/677329047.db2.gz GPSUODOOHCYZRM-IRXDYDNUSA-N 2 0 351.441 2.402 10 0 FEAERP COCC[NH+]1CCC(C[N@H+](Cc2cnn(C)c2)Cc2ccncc2)CC1 ZINC000011821858 539536535 /nfs/dbraw/zinc/53/65/35/539536535.db2.gz HEVWYZLQBGUSLL-UHFFFAOYSA-N 2 0 357.502 2.176 10 0 FEAERP COc1cc(C[NH2+]CCCSC)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012576313 539565692 /nfs/dbraw/zinc/56/56/92/539565692.db2.gz COBNBZQNQRGJHZ-KRWDZBQOSA-N 2 0 368.543 2.373 10 0 FEAERP CC(C)C[C@@]1(CO)[NH2+][C@H](c2cc(C[NH+](C)C)cs2)[C@@H]2CN(C)C[C@@H]21 ZINC000065374828 205341054 /nfs/dbraw/zinc/34/10/54/205341054.db2.gz GIWHVKVZVDPOTM-NEPXVJNWSA-N 2 0 351.560 2.409 10 0 FEAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000111881062 543422710 /nfs/dbraw/zinc/42/27/10/543422710.db2.gz NXESBYXTYDLUAO-ROUUACIJSA-N 2 0 368.566 2.033 10 0 FEAERP COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898919 328174592 /nfs/dbraw/zinc/17/45/92/328174592.db2.gz WPVSGCBVUXGQCY-YJBOKZPZSA-N 2 0 372.469 2.227 10 0 FEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000190706984 328226363 /nfs/dbraw/zinc/22/63/63/328226363.db2.gz QDXJNXULBYJDOY-FQEVSTJZSA-N 2 0 373.545 2.277 10 0 FEAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117050394 326048815 /nfs/dbraw/zinc/04/88/15/326048815.db2.gz QILYGTJSVQXUAZ-AEFFLSMTSA-N 2 0 362.518 2.088 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000170827392 327101050 /nfs/dbraw/zinc/10/10/50/327101050.db2.gz KYVWIGOAJNBCOD-MJGOQNOKSA-N 2 0 362.518 2.424 10 0 FEAERP COc1ccc(NC(=O)CC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000170941666 327108524 /nfs/dbraw/zinc/10/85/24/327108524.db2.gz PYKGXVLSAVAMOR-MRXNPFEDSA-N 2 0 363.502 2.048 10 0 FEAERP Cc1ccc(OC[C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000170941618 327108602 /nfs/dbraw/zinc/10/86/02/327108602.db2.gz UJDDKOORALPCPU-QUCCMNQESA-N 2 0 364.530 2.068 10 0 FEAERP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171857370 327165960 /nfs/dbraw/zinc/16/59/60/327165960.db2.gz CHSXJTMPNDBYGR-NRFANRHFSA-N 2 0 370.541 2.286 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000173755023 327281564 /nfs/dbraw/zinc/28/15/64/327281564.db2.gz DOHPLVYFJRZRCH-RBUKOAKNSA-N 2 0 374.529 2.395 10 0 FEAERP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c2)CC1 ZINC000261874597 328826087 /nfs/dbraw/zinc/82/60/87/328826087.db2.gz DPEFXSZBYABXLA-BDTNDASRSA-N 2 0 373.541 2.460 10 0 FEAERP c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(CN2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000179310616 546928591 /nfs/dbraw/zinc/92/85/91/546928591.db2.gz SLDXHXACUKOAOZ-FGZHOGPDSA-N 2 0 354.542 2.247 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000180361820 547091368 /nfs/dbraw/zinc/09/13/68/547091368.db2.gz PSJVUGFAZXPKGO-LPHOPBHVSA-N 2 0 359.518 2.326 10 0 FEAERP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000183146859 547610408 /nfs/dbraw/zinc/61/04/08/547610408.db2.gz MFWGPXXBBUWAQP-ICSRJNTNSA-N 2 0 359.514 2.186 10 0 FEAERP CC[C@H]1CN(C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184834731 547885398 /nfs/dbraw/zinc/88/53/98/547885398.db2.gz UCQOCQNLHIMJHL-MSOLQXFVSA-N 2 0 368.566 2.128 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000246540739 549156876 /nfs/dbraw/zinc/15/68/76/549156876.db2.gz YDVREAURUOYPPE-UXHICEINSA-N 2 0 356.514 2.313 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1CC ZINC000246964713 549253100 /nfs/dbraw/zinc/25/31/00/549253100.db2.gz IVMSJLFBLNUUBG-KZNAEPCWSA-N 2 0 354.539 2.002 10 0 FEAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000251845076 549654150 /nfs/dbraw/zinc/65/41/50/549654150.db2.gz OSPNCIFVDNNUBR-VQTJNVASSA-N 2 0 373.545 2.419 10 0 FEAERP CN(Cc1ccccc1F)C(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261609342 549733839 /nfs/dbraw/zinc/73/38/39/549733839.db2.gz BPNFCRDMMHOQGN-MOPGFXCFSA-N 2 0 355.457 2.458 10 0 FEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261777746 549754128 /nfs/dbraw/zinc/75/41/28/549754128.db2.gz HEHRDQOOIIYFAT-CALCHBBNSA-N 2 0 359.514 2.289 10 0 FEAERP CN1CC[NH2+]C[C@H]1c1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000263228047 549887428 /nfs/dbraw/zinc/88/74/28/549887428.db2.gz NAOLIWSPUJQPLH-WBVHZDCISA-N 2 0 359.449 2.164 10 0 FEAERP CN(C)c1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1C ZINC000311552023 553754843 /nfs/dbraw/zinc/75/48/43/553754843.db2.gz PVGMYGGEURXZGH-MISYRCLQSA-N 2 0 353.514 2.486 10 0 FEAERP COc1cc([C@@H]([NH3+])CC[NH3+])c(Br)c(Br)c1O ZINC000396461798 558623492 /nfs/dbraw/zinc/62/34/92/558623492.db2.gz JCXLAWPOGRQTHH-LURJTMIESA-N 2 0 354.042 2.274 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN(C)Cc2ccc(F)cc2)CC1 ZINC000181689815 672429661 /nfs/dbraw/zinc/42/96/61/672429661.db2.gz RYYCXPNPXSFWOC-QGZVFWFLSA-N 2 0 351.510 2.282 10 0 FEAERP CC(C)CNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128140 543205732 /nfs/dbraw/zinc/20/57/32/543205732.db2.gz AWMZNULSBPEYQM-HXUWFJFHSA-N 2 0 361.530 2.136 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000113596184 543492097 /nfs/dbraw/zinc/49/20/97/543492097.db2.gz SBEIBEUQCOZSOL-IAGOWNOFSA-N 2 0 366.575 2.226 10 0 FEAERP Cc1csc([C@@H]2CN(CCCN3CC[NH+](C(C)C)CC3)CCO2)n1 ZINC000191468141 328267031 /nfs/dbraw/zinc/26/70/31/328267031.db2.gz YKFQSYOBBBCAPL-KRWDZBQOSA-N 2 0 352.548 2.241 10 0 FEAERP COc1cccc([C@H](CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)[NH+](C)C)c1 ZINC000162503691 327027454 /nfs/dbraw/zinc/02/74/54/327027454.db2.gz BORDKEVOKFXVQV-MNEFBYGVSA-N 2 0 362.518 2.326 10 0 FEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000170835479 327101229 /nfs/dbraw/zinc/10/12/29/327101229.db2.gz JWALMVLFCJXSJJ-HOTGVXAUSA-N 2 0 350.532 2.306 10 0 FEAERP COc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000170862279 327103209 /nfs/dbraw/zinc/10/32/09/327103209.db2.gz MAVINDGWSHYQFR-MJGOQNOKSA-N 2 0 360.502 2.178 10 0 FEAERP CC(C)(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000171901780 327168740 /nfs/dbraw/zinc/16/87/40/327168740.db2.gz PBYCSCDNSHBXAG-LJQANCHMSA-N 2 0 356.514 2.313 10 0 FEAERP C[C@@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+]1CCCCCC1 ZINC000173577222 327268072 /nfs/dbraw/zinc/26/80/72/327268072.db2.gz PBHVSURZQDXGNU-SFHVURJKSA-N 2 0 373.545 2.056 10 0 FEAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262941425 328902037 /nfs/dbraw/zinc/90/20/37/328902037.db2.gz IVWJWPXXROQQSI-URVUXULASA-N 2 0 373.541 2.456 10 0 FEAERP CC[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000172320808 546247010 /nfs/dbraw/zinc/24/70/10/546247010.db2.gz DXAJSNXCPNLEST-HOTGVXAUSA-N 2 0 368.547 2.103 10 0 FEAERP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@@H+]1CCOC ZINC000179481068 546961769 /nfs/dbraw/zinc/96/17/69/546961769.db2.gz HHTUBKYNQPBJJJ-VAMGGRTRSA-N 2 0 374.529 2.184 10 0 FEAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000181778783 547379256 /nfs/dbraw/zinc/37/92/56/547379256.db2.gz RJHOYDBBHZNYFV-WMZOPIPTSA-N 2 0 370.582 2.087 10 0 FEAERP CCN1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188995515 548293160 /nfs/dbraw/zinc/29/31/60/548293160.db2.gz UWVSFKKZQNGWJG-SRMUXQRQSA-N 2 0 357.832 2.431 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000245662357 548969438 /nfs/dbraw/zinc/96/94/38/548969438.db2.gz DIKPMJMGJDIJSD-OALUTQOASA-N 2 0 374.529 2.395 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246151833 549064202 /nfs/dbraw/zinc/06/42/02/549064202.db2.gz PMBAWMYZCWNIPP-WOJBJXKFSA-N 2 0 358.530 2.335 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246260698 549091462 /nfs/dbraw/zinc/09/14/62/549091462.db2.gz GHCQZLKJPBQZHP-MHORFTMASA-N 2 0 353.551 2.189 10 0 FEAERP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246332151 549107601 /nfs/dbraw/zinc/10/76/01/549107601.db2.gz LDXIUOWRJIYHNX-DLBZAZTESA-N 2 0 353.551 2.191 10 0 FEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246467212 549139354 /nfs/dbraw/zinc/13/93/54/549139354.db2.gz AKGBWVZNADARFW-NJDAHSKKSA-N 2 0 373.541 2.043 10 0 FEAERP COc1cccc([C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)[NH+](C)C)c1 ZINC000246568418 549163578 /nfs/dbraw/zinc/16/35/78/549163578.db2.gz ZXROHYIWHWSEAP-PKOBYXMFSA-N 2 0 360.502 2.178 10 0 FEAERP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000247004358 549262450 /nfs/dbraw/zinc/26/24/50/549262450.db2.gz FPFNPNXZYDXCQV-AZUAARDMSA-N 2 0 364.530 2.068 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000247772522 549379199 /nfs/dbraw/zinc/37/91/99/549379199.db2.gz PPJWLHPQQYDRCD-BZSNNMDCSA-N 2 0 373.541 2.377 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)C[C@H]1CC ZINC000248484703 549449439 /nfs/dbraw/zinc/44/94/39/549449439.db2.gz KFQFMZFVHIGABP-RBUKOAKNSA-N 2 0 368.566 2.393 10 0 FEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000248951260 549531315 /nfs/dbraw/zinc/53/13/15/549531315.db2.gz DCARWOVWYPFSHK-PXNSSMCTSA-N 2 0 367.484 2.489 10 0 FEAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000252032642 549662162 /nfs/dbraw/zinc/66/21/62/549662162.db2.gz ZVGAEGZFXSYVKV-SLFFLAALSA-N 2 0 373.545 2.418 10 0 FEAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000154537694 672218440 /nfs/dbraw/zinc/21/84/40/672218440.db2.gz FGFIWHPGHSHDEJ-YJBOKZPZSA-N 2 0 367.921 2.464 10 0 FEAERP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000180210729 672411091 /nfs/dbraw/zinc/41/10/91/672411091.db2.gz ZGTUMLZTGIRTLG-ULQDDVLXSA-N 2 0 355.523 2.116 10 0 FEAERP C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249376603 672870109 /nfs/dbraw/zinc/87/01/09/672870109.db2.gz UEEVHQPQJYVKHW-HZPDHXFCSA-N 2 0 357.420 2.365 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000247388293 549326511 /nfs/dbraw/zinc/32/65/11/549326511.db2.gz QFDODSOSQMXESP-FUHWJXTLSA-N 2 0 362.518 2.155 10 0 FEAERP O=C(NCc1cc(-c2ccccc2Cl)no1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072149789 541789050 /nfs/dbraw/zinc/78/90/50/541789050.db2.gz FJUNCJBYJOTFPV-KRWDZBQOSA-N 2 0 374.872 2.343 10 0 FEAERP C[N@@H+](CC(=O)NC1CCCC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128078 543204284 /nfs/dbraw/zinc/20/42/84/543204284.db2.gz UMFLNXLIXCAOMS-OAQYLSRUSA-N 2 0 373.541 2.423 10 0 FEAERP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126555 543204502 /nfs/dbraw/zinc/20/45/02/543204502.db2.gz GUSGBMIIHABZFG-ZHALLVOQSA-N 2 0 353.551 2.191 10 0 FEAERP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000113310643 543483776 /nfs/dbraw/zinc/48/37/76/543483776.db2.gz FPFNPNXZYDXCQV-UYAOXDASSA-N 2 0 364.530 2.068 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000113589127 543491708 /nfs/dbraw/zinc/49/17/08/543491708.db2.gz USKDJCYMVAWSFZ-FUHWJXTLSA-N 2 0 360.502 2.005 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1CC ZINC000117046080 543621732 /nfs/dbraw/zinc/62/17/32/543621732.db2.gz BKEQHJYJTMECMR-OALUTQOASA-N 2 0 368.566 2.249 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000247487467 549342271 /nfs/dbraw/zinc/34/22/71/549342271.db2.gz KYFHTPQNVBEEEH-ICSRJNTNSA-N 2 0 372.513 2.322 10 0 FEAERP CC[N@H+](CC(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1)C1CC1 ZINC000153322833 544761832 /nfs/dbraw/zinc/76/18/32/544761832.db2.gz SJRHSJRABULMTQ-INIZCTEOSA-N 2 0 351.516 2.064 10 0 FEAERP CC[N@H+](CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000153174456 544742625 /nfs/dbraw/zinc/74/26/25/544742625.db2.gz NGYVCNFGDUAEHJ-HXUWFJFHSA-N 2 0 359.514 2.033 10 0 FEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117028054 326047881 /nfs/dbraw/zinc/04/78/81/326047881.db2.gz PXZFTJWNERGBCX-IBGZPJMESA-N 2 0 362.518 2.000 10 0 FEAERP CC[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCOC ZINC000117479536 326062945 /nfs/dbraw/zinc/06/29/45/326062945.db2.gz KVESLMOLWFHWDJ-IBGZPJMESA-N 2 0 362.518 2.000 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCCC2CCCCC2)CC1 ZINC000170941696 327108756 /nfs/dbraw/zinc/10/87/56/327108756.db2.gz OHJZOZYMPCWCRU-QGZVFWFLSA-N 2 0 353.551 2.098 10 0 FEAERP COCCC[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000171193073 327123506 /nfs/dbraw/zinc/12/35/06/327123506.db2.gz AWGSYHOXFGZEIC-IBGZPJMESA-N 2 0 362.518 2.089 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000171898171 327168350 /nfs/dbraw/zinc/16/83/50/327168350.db2.gz KYFHTPQNVBEEEH-QUCCMNQESA-N 2 0 372.513 2.322 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173829183 327287201 /nfs/dbraw/zinc/28/72/01/327287201.db2.gz VAMFIBPTBDFHEQ-KRWDZBQOSA-N 2 0 354.539 2.003 10 0 FEAERP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)CC2)c1 ZINC000261819062 328821806 /nfs/dbraw/zinc/82/18/06/328821806.db2.gz HTFNDNAHDKEJFM-LJQANCHMSA-N 2 0 358.530 2.093 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000176867183 546498385 /nfs/dbraw/zinc/49/83/85/546498385.db2.gz OSNTYGIVRIVLAD-WIYYLYMNSA-N 2 0 373.541 2.202 10 0 FEAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000178303163 546771772 /nfs/dbraw/zinc/77/17/72/546771772.db2.gz ICTZUUJTFZZHIO-BHYGNILZSA-N 2 0 361.490 2.060 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+]2CC)[C@@H](C)C1 ZINC000245428873 548916342 /nfs/dbraw/zinc/91/63/42/548916342.db2.gz XTAREDKFGZPTCA-FHWLQOOXSA-N 2 0 368.566 2.249 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)C[C@@H]1CC ZINC000247260343 549308622 /nfs/dbraw/zinc/30/86/22/549308622.db2.gz YKBGDKPNBYZTIZ-MSOLQXFVSA-N 2 0 354.539 2.003 10 0 FEAERP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cc2)CC1 ZINC000247259937 549308944 /nfs/dbraw/zinc/30/89/44/549308944.db2.gz ZTUKICSSBPCZIX-XLIONFOSSA-N 2 0 356.514 2.137 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000247649675 549368672 /nfs/dbraw/zinc/36/86/72/549368672.db2.gz WFNALJAOUIGCMH-VQTJNVASSA-N 2 0 358.530 2.429 10 0 FEAERP C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247767922 549378039 /nfs/dbraw/zinc/37/80/39/549378039.db2.gz OIKZUCHGFHPRKG-DLBZAZTESA-N 2 0 353.551 2.096 10 0 FEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000248951262 549530517 /nfs/dbraw/zinc/53/05/17/549530517.db2.gz DCARWOVWYPFSHK-XLIONFOSSA-N 2 0 367.484 2.489 10 0 FEAERP CC(C)C[N@@H+]1CC[C@H](c2nnc3n2CC[NH+](Cc2cccnc2)CC3)C1 ZINC000257194425 549716064 /nfs/dbraw/zinc/71/60/64/549716064.db2.gz UAOAYBSPVDVQLL-SFHVURJKSA-N 2 0 354.502 2.177 10 0 FEAERP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)c2)CC1 ZINC000261874600 549765244 /nfs/dbraw/zinc/76/52/44/549765244.db2.gz DPEFXSZBYABXLA-YPAWHYETSA-N 2 0 373.541 2.460 10 0 FEAERP C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261982493 549777394 /nfs/dbraw/zinc/77/73/94/549777394.db2.gz ROGOCDBXIWHROK-HZPDHXFCSA-N 2 0 351.516 2.219 10 0 FEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)C2)cc1 ZINC000261992569 549777807 /nfs/dbraw/zinc/77/78/07/549777807.db2.gz SXIFOMMUWZALCP-CIAFKFPVSA-N 2 0 357.542 2.298 10 0 FEAERP O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328625108 553797809 /nfs/dbraw/zinc/79/78/09/553797809.db2.gz CSZOERSHWLLDGQ-CVEARBPZSA-N 2 0 365.568 2.314 10 0 FEAERP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000385663292 558606831 /nfs/dbraw/zinc/60/68/31/558606831.db2.gz LBVISKMCDNULIU-LWYYNNOASA-N 2 0 360.498 2.191 10 0 FEAERP COCCN1CCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079081 672070489 /nfs/dbraw/zinc/07/04/89/672070489.db2.gz FAZZVMJHHCTQRG-IRXDYDNUSA-N 2 0 355.523 2.334 10 0 FEAERP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000183496303 672470203 /nfs/dbraw/zinc/47/02/03/672470203.db2.gz RADXBYVFCIZQCY-DLBZAZTESA-N 2 0 354.539 2.002 10 0 FEAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000105149627 543161613 /nfs/dbraw/zinc/16/16/13/543161613.db2.gz FCZCDNIKXZFHAK-YLJYHZDGSA-N 2 0 356.514 2.313 10 0 FEAERP Cc1c(O)ccc2c(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc(=O)oc12 ZINC000106126071 543204385 /nfs/dbraw/zinc/20/43/85/543204385.db2.gz ANJVNQCXJMJBCC-CQSZACIVSA-N 2 0 374.481 2.332 10 0 FEAERP CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+](C)C ZINC000136533433 544373903 /nfs/dbraw/zinc/37/39/03/544373903.db2.gz VQLGRQZDGFGPSN-GOSISDBHSA-N 2 0 360.502 2.053 10 0 FEAERP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCCO1 ZINC000183144837 327803954 /nfs/dbraw/zinc/80/39/54/327803954.db2.gz DVADCZFDRQADAU-YJBOKZPZSA-N 2 0 363.527 2.331 10 0 FEAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000190692637 328224936 /nfs/dbraw/zinc/22/49/36/328224936.db2.gz KSTMSSHEUVYRII-AZUAARDMSA-N 2 0 373.545 2.277 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000077793591 325016835 /nfs/dbraw/zinc/01/68/35/325016835.db2.gz VSKWQVYMBGIABA-INIZCTEOSA-N 2 0 356.580 2.378 10 0 FEAERP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171907192 327169765 /nfs/dbraw/zinc/16/97/65/327169765.db2.gz CSTQROODYRNQEN-GOSISDBHSA-N 2 0 360.502 2.007 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COc2ccccc2Cl)CC1 ZINC000172111267 327181419 /nfs/dbraw/zinc/18/14/19/327181419.db2.gz RRDHBEPNCBCPAA-RDJZCZTQSA-N 2 0 370.921 2.104 10 0 FEAERP C[C@H](NC(=O)NCCN1CCOCC1(C)C)c1cccc(-n2ccnc2)c1 ZINC000173180136 327239592 /nfs/dbraw/zinc/23/95/92/327239592.db2.gz SFJOHUWUQONINJ-INIZCTEOSA-N 2 0 371.485 2.343 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000174438959 327327050 /nfs/dbraw/zinc/32/70/50/327327050.db2.gz DIKPMJMGJDIJSD-RBUKOAKNSA-N 2 0 374.529 2.395 10 0 FEAERP CC(C)N1CC[C@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000175191167 327378879 /nfs/dbraw/zinc/37/88/79/327378879.db2.gz LACLQPUMZCSRHC-VQTJNVASSA-N 2 0 359.514 2.031 10 0 FEAERP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261888844 328827162 /nfs/dbraw/zinc/82/71/62/328827162.db2.gz VGDCMRXVTSCLAS-HXUWFJFHSA-N 2 0 359.514 2.289 10 0 FEAERP C[NH+](C)[C@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1ccc(F)cc1 ZINC000264703458 329050699 /nfs/dbraw/zinc/05/06/99/329050699.db2.gz QTOZSUQQDQYRAG-DLBZAZTESA-N 2 0 359.449 2.292 10 0 FEAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000176867133 546498536 /nfs/dbraw/zinc/49/85/36/546498536.db2.gz OSNTYGIVRIVLAD-RXVVDRJESA-N 2 0 373.541 2.202 10 0 FEAERP CCc1oc(C(=O)OC)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177133406 546551938 /nfs/dbraw/zinc/55/19/38/546551938.db2.gz NWVACGXZWPPOAP-AWEZNQCLSA-N 2 0 352.475 2.153 10 0 FEAERP Cn1cc([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000178636573 546824087 /nfs/dbraw/zinc/82/40/87/546824087.db2.gz OIOAINICHHRUMY-WOJBJXKFSA-N 2 0 372.517 2.144 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179423141 546951241 /nfs/dbraw/zinc/95/12/41/546951241.db2.gz SCDVMKKHIJNCED-SFHVURJKSA-N 2 0 356.514 2.456 10 0 FEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000183090183 547600094 /nfs/dbraw/zinc/60/00/94/547600094.db2.gz WAVGIFGLJCSKGV-QUCCMNQESA-N 2 0 359.514 2.186 10 0 FEAERP CCN1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188995489 548292709 /nfs/dbraw/zinc/29/27/09/548292709.db2.gz UWVSFKKZQNGWJG-KSYCFECVSA-N 2 0 357.832 2.431 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+]2CC)[C@H](C)C1 ZINC000245428876 548916051 /nfs/dbraw/zinc/91/60/51/548916051.db2.gz XTAREDKFGZPTCA-QYZOEREBSA-N 2 0 368.566 2.249 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000248453972 549441079 /nfs/dbraw/zinc/44/10/79/549441079.db2.gz LRGSICZVGZGPGB-CEXWTWQISA-N 2 0 368.566 2.128 10 0 FEAERP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)CCCC2)CC1 ZINC000261886630 549765880 /nfs/dbraw/zinc/76/58/80/549765880.db2.gz FYXOLDNNEWCIRX-AQNXPRMDSA-N 2 0 365.562 2.157 10 0 FEAERP CCc1nc(C)sc1C[N@@H+]1CC[C@@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091603442 670729601 /nfs/dbraw/zinc/72/96/01/670729601.db2.gz YVXFDQRQOOVWHX-LJQANCHMSA-N 2 0 367.559 2.309 10 0 FEAERP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(CO)o2)C[C@H]2CCCO2)CC1 ZINC000012385173 539557179 /nfs/dbraw/zinc/55/71/79/539557179.db2.gz SVIZARXCZVKTBI-GOSISDBHSA-N 2 0 366.502 2.111 10 0 FEAERP CCN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C1CCCCC1 ZINC000106125796 543204471 /nfs/dbraw/zinc/20/44/71/543204471.db2.gz MDBUSRDUJGFBDG-QGZVFWFLSA-N 2 0 353.551 2.192 10 0 FEAERP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106459149 543231229 /nfs/dbraw/zinc/23/12/29/543231229.db2.gz CUZOIUOCUCSRAV-OAQYLSRUSA-N 2 0 369.509 2.416 10 0 FEAERP CCN(CC)C(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112550020 543451229 /nfs/dbraw/zinc/45/12/29/543451229.db2.gz AQWHIPFPBQEPQZ-XLIONFOSSA-N 2 0 361.530 2.279 10 0 FEAERP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000113310646 543483976 /nfs/dbraw/zinc/48/39/76/543483976.db2.gz FPFNPNXZYDXCQV-QUCCMNQESA-N 2 0 364.530 2.068 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000113591858 543491924 /nfs/dbraw/zinc/49/19/24/543491924.db2.gz LCXRCEDBRDFZHD-FXAWDEMLSA-N 2 0 356.514 2.313 10 0 FEAERP COc1ccccc1[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCC1 ZINC000247496887 549344989 /nfs/dbraw/zinc/34/49/89/549344989.db2.gz MSFFBQLKUAYRGU-PKOBYXMFSA-N 2 0 372.513 2.322 10 0 FEAERP CC(C)CSCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000152624337 544675698 /nfs/dbraw/zinc/67/56/98/544675698.db2.gz ASVRNXXEXAXPAF-IBGZPJMESA-N 2 0 357.608 2.493 10 0 FEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000190905648 328239567 /nfs/dbraw/zinc/23/95/67/328239567.db2.gz ARMVYQBLDNZSIE-QPIRBTGLSA-N 2 0 352.519 2.421 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](C)C2CCCC2)C[C@H]1CC ZINC000117046370 326049263 /nfs/dbraw/zinc/04/92/63/326049263.db2.gz LWKLJTMTVLPYBI-QGZVFWFLSA-N 2 0 354.539 2.003 10 0 FEAERP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000117478589 326062884 /nfs/dbraw/zinc/06/28/84/326062884.db2.gz QIWQJHINHFMCEK-IBGZPJMESA-N 2 0 368.566 2.251 10 0 FEAERP CCC[C@H](C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)[NH+](C)C ZINC000161590568 327003687 /nfs/dbraw/zinc/00/36/87/327003687.db2.gz YPBHJBFLVBVDHA-HXUWFJFHSA-N 2 0 360.546 2.171 10 0 FEAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170829353 327100913 /nfs/dbraw/zinc/10/09/13/327100913.db2.gz JNNJBNAIWCYXOX-GOSISDBHSA-N 2 0 362.518 2.253 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000170835477 327101196 /nfs/dbraw/zinc/10/11/96/327101196.db2.gz JWALMVLFCJXSJJ-JKSUJKDBSA-N 2 0 350.532 2.306 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000171843598 327164968 /nfs/dbraw/zinc/16/49/68/327164968.db2.gz GJVYMJRVRXFDKF-MRXNPFEDSA-N 2 0 362.518 2.305 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000174203019 327312708 /nfs/dbraw/zinc/31/27/08/327312708.db2.gz UCXCYGHMAKHRMK-XUVXKRRUSA-N 2 0 358.530 2.428 10 0 FEAERP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262398415 328863290 /nfs/dbraw/zinc/86/32/90/328863290.db2.gz PFTAGAYNKBZZBE-LAUBAEHRSA-N 2 0 357.498 2.362 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000171865625 546229019 /nfs/dbraw/zinc/22/90/19/546229019.db2.gz IMTCBSVSOKWOEC-LJQANCHMSA-N 2 0 358.530 2.189 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176627753 546469736 /nfs/dbraw/zinc/46/97/36/546469736.db2.gz LREXUHZKGINITQ-RTBURBONSA-N 2 0 366.550 2.144 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000177310772 546592509 /nfs/dbraw/zinc/59/25/09/546592509.db2.gz NHKOWEVBHHDVHK-FQEVSTJZSA-N 2 0 374.529 2.145 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000177389942 546606710 /nfs/dbraw/zinc/60/67/10/546606710.db2.gz IUBWOXDUEMPHDM-GOSISDBHSA-N 2 0 362.518 2.253 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000194156887 548443305 /nfs/dbraw/zinc/44/33/05/548443305.db2.gz OUYKGAKTIJNSFY-IBGZPJMESA-N 2 0 372.513 2.212 10 0 FEAERP CCC[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000245639929 548963548 /nfs/dbraw/zinc/96/35/48/548963548.db2.gz AUBSNJJPWDWORO-UXHICEINSA-N 2 0 360.546 2.212 10 0 FEAERP CN1CC[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000245747865 548987791 /nfs/dbraw/zinc/98/77/91/548987791.db2.gz ANFWQCUQWJMVQV-ZACQAIPSSA-N 2 0 350.894 2.431 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000246151824 549063853 /nfs/dbraw/zinc/06/38/53/549063853.db2.gz PMBAWMYZCWNIPP-UXHICEINSA-N 2 0 358.530 2.335 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246747675 549203227 /nfs/dbraw/zinc/20/32/27/549203227.db2.gz BFLMGVANRJQHOT-QFBILLFUSA-N 2 0 362.518 2.155 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000247037448 549270576 /nfs/dbraw/zinc/27/05/76/549270576.db2.gz GMPLKBNRFVIVDD-RXVVDRJESA-N 2 0 370.541 2.067 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247324084 549319118 /nfs/dbraw/zinc/31/91/18/549319118.db2.gz MPVWXSSMRUWYJK-MBOZVWFJSA-N 2 0 358.530 2.461 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000247577364 549360817 /nfs/dbraw/zinc/36/08/17/549360817.db2.gz HYJLBVRAJWGLER-OXJNMPFZSA-N 2 0 359.514 2.031 10 0 FEAERP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249208581 549569216 /nfs/dbraw/zinc/56/92/16/549569216.db2.gz CFNRDAZZCJNZHE-QYZOEREBSA-N 2 0 351.535 2.209 10 0 FEAERP [NH3+][C@@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000262661957 549836395 /nfs/dbraw/zinc/83/63/95/549836395.db2.gz GPLMMPUIFUFCPF-LEWJYISDSA-N 2 0 367.493 2.248 10 0 FEAERP NC(=O)c1c[nH+]ccc1NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000302217552 553711489 /nfs/dbraw/zinc/71/14/89/553711489.db2.gz KFVJIUZLNZQLHK-LJQANCHMSA-N 2 0 354.454 2.038 10 0 FEAERP COCC[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000169789520 672322542 /nfs/dbraw/zinc/32/25/42/672322542.db2.gz YEKMKYXPNXCTJG-QGZVFWFLSA-N 2 0 352.906 2.493 10 0 FEAERP [NH3+]C1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCOCC1 ZINC000261880000 672904794 /nfs/dbraw/zinc/90/47/94/672904794.db2.gz PAJIJTITBHHSIP-INIZCTEOSA-N 2 0 351.878 2.101 10 0 FEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104787285 543143938 /nfs/dbraw/zinc/14/39/38/543143938.db2.gz MTGMADARVPHIBX-YLJYHZDGSA-N 2 0 374.529 2.191 10 0 FEAERP CCCCNC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128132 543206063 /nfs/dbraw/zinc/20/60/63/543206063.db2.gz UDXSQNSACKORAC-FQEVSTJZSA-N 2 0 361.530 2.280 10 0 FEAERP CCN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C1CCCCC1 ZINC000106125799 543204618 /nfs/dbraw/zinc/20/46/18/543204618.db2.gz MDBUSRDUJGFBDG-KRWDZBQOSA-N 2 0 353.551 2.192 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000106125620 543204728 /nfs/dbraw/zinc/20/47/28/543204728.db2.gz BTGYIKPNDHSCOU-GJZGRUSLSA-N 2 0 351.466 2.177 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000106124612 543205031 /nfs/dbraw/zinc/20/50/31/543205031.db2.gz OBSOVLMXKFZPLS-MRXNPFEDSA-N 2 0 364.486 2.209 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000113596187 543491890 /nfs/dbraw/zinc/49/18/90/543491890.db2.gz SBEIBEUQCOZSOL-DLBZAZTESA-N 2 0 366.575 2.226 10 0 FEAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000113596124 543491959 /nfs/dbraw/zinc/49/19/59/543491959.db2.gz CTOQFUQCGAAYQB-FUHIMQAGSA-N 2 0 356.514 2.311 10 0 FEAERP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898937 328174641 /nfs/dbraw/zinc/17/46/41/328174641.db2.gz WPVSGCBVUXGQCY-MAUKXSAKSA-N 2 0 372.469 2.227 10 0 FEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000190706962 328226276 /nfs/dbraw/zinc/22/62/76/328226276.db2.gz QDXJNXULBYJDOY-HXUWFJFHSA-N 2 0 373.545 2.277 10 0 FEAERP CC[C@@H](O)C[NH+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000123560775 326435691 /nfs/dbraw/zinc/43/56/91/326435691.db2.gz LRNWFTQQKMOFTL-OAQYLSRUSA-N 2 0 374.573 2.106 10 0 FEAERP COc1cccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)c1 ZINC000170863279 327103549 /nfs/dbraw/zinc/10/35/49/327103549.db2.gz OJJZZZTWZBPQKI-IEBWSBKVSA-N 2 0 360.502 2.178 10 0 FEAERP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000174737170 327346998 /nfs/dbraw/zinc/34/69/98/327346998.db2.gz WKUMNEGXGFBXSG-UHFFFAOYSA-N 2 0 369.513 2.181 10 0 FEAERP COc1cccc(NC(=O)CC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000174783009 327350753 /nfs/dbraw/zinc/35/07/53/327350753.db2.gz FZTYZZVZKQQNIW-INIZCTEOSA-N 2 0 363.502 2.048 10 0 FEAERP CC(C)N(C)C(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000175191352 327378914 /nfs/dbraw/zinc/37/89/14/327378914.db2.gz BIQWNHPVQVBNCT-FXAWDEMLSA-N 2 0 361.530 2.277 10 0 FEAERP c1ncn([C@H]2CCC[NH+](CCCCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157908773 545798990 /nfs/dbraw/zinc/79/89/90/545798990.db2.gz BZCAOEXHIJMGJT-OALUTQOASA-N 2 0 372.521 2.014 10 0 FEAERP COC(=O)c1ccc(F)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000181925616 547406643 /nfs/dbraw/zinc/40/66/43/547406643.db2.gz KCUDIXZVVDYVSL-AWEZNQCLSA-N 2 0 352.450 2.137 10 0 FEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@H+](CC)C3)c2)CC1 ZINC000184910003 547897962 /nfs/dbraw/zinc/89/79/62/547897962.db2.gz HLGOAQVYEFGLFF-GOSISDBHSA-N 2 0 359.518 2.434 10 0 FEAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C12CCOCC2 ZINC000186499263 548144407 /nfs/dbraw/zinc/14/44/07/548144407.db2.gz XHSQQFZMKKDHAV-PWRODBHTSA-N 2 0 374.525 2.317 10 0 FEAERP CCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000236943357 548789738 /nfs/dbraw/zinc/78/97/38/548789738.db2.gz MFLPWWZAXWFQPD-QGZVFWFLSA-N 2 0 352.910 2.096 10 0 FEAERP C[C@H](O)C[N@@H+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000245704734 548980011 /nfs/dbraw/zinc/98/00/11/548980011.db2.gz DTVGBRVNSGRNID-OALUTQOASA-N 2 0 374.573 2.104 10 0 FEAERP CC[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246793269 549214153 /nfs/dbraw/zinc/21/41/53/549214153.db2.gz JLPYUKYLCROOED-PXNSSMCTSA-N 2 0 359.514 2.200 10 0 FEAERP CC[C@H]1CN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000247001333 549261698 /nfs/dbraw/zinc/26/16/98/549261698.db2.gz GQGWUIRSACDYID-MOPGFXCFSA-N 2 0 368.566 2.251 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000247573980 549361103 /nfs/dbraw/zinc/36/11/03/549361103.db2.gz HOSJUITULOFYQS-MAUKXSAKSA-N 2 0 370.921 2.104 10 0 FEAERP C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247809007 549383168 /nfs/dbraw/zinc/38/31/68/549383168.db2.gz UGRHBIDBWQSTCK-BMFAXAFESA-N 2 0 353.551 2.094 10 0 FEAERP CC[C@H]1CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000248493692 549450546 /nfs/dbraw/zinc/45/05/46/549450546.db2.gz PLWXHUQNXDPSSN-ROUUACIJSA-N 2 0 354.539 2.003 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000248751572 549496277 /nfs/dbraw/zinc/49/62/77/549496277.db2.gz KLURGIBCIBVVNS-APWZRJJASA-N 2 0 372.513 2.162 10 0 FEAERP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[NH+]2CCCC2)c1 ZINC000249735163 549620878 /nfs/dbraw/zinc/62/08/78/549620878.db2.gz DHEYMEQWKYMDTJ-PKOBYXMFSA-N 2 0 360.502 2.226 10 0 FEAERP CC(C)C[N@H+]1CCc2nnc([C@@H]3CC[NH+](Cc4cccnc4)C3)n2CC1 ZINC000257184342 549713531 /nfs/dbraw/zinc/71/35/31/549713531.db2.gz ILJMTSGMVFMXCZ-GOSISDBHSA-N 2 0 354.502 2.177 10 0 FEAERP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CC(F)(F)CN2)C[N@@H+]1Cc1ccccc1 ZINC000262695561 549840237 /nfs/dbraw/zinc/84/02/37/549840237.db2.gz BDTWYVVEWCRNFU-PVAVHDDUSA-N 2 0 351.441 2.401 10 0 FEAERP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000385663287 558606802 /nfs/dbraw/zinc/60/68/02/558606802.db2.gz LBVISKMCDNULIU-IYWMVGAKSA-N 2 0 360.498 2.191 10 0 FEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151920 677517742 /nfs/dbraw/zinc/51/77/42/677517742.db2.gz XXBOCLJLNJIKSK-DTZQCDIJSA-N 2 0 355.404 2.021 10 0 FEAERP [NH3+][C@H](C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000886084534 688200921 /nfs/dbraw/zinc/20/09/21/688200921.db2.gz GESBUJOEBARGHC-RDJZCZTQSA-N 2 0 356.495 2.314 10 0 FEAERP CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000098178628 209206547 /nfs/dbraw/zinc/20/65/47/209206547.db2.gz FKSNSQGCSOBQTJ-GOSISDBHSA-N 2 0 365.543 2.480 10 0 FEAERP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cnc(C3CCCCC3)nc1)CC2 ZINC000091974241 209010090 /nfs/dbraw/zinc/01/00/90/209010090.db2.gz RRBLUBQCVSMFNX-MOPGFXCFSA-N 2 0 374.529 2.215 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000106126511 543204550 /nfs/dbraw/zinc/20/45/50/543204550.db2.gz OIKZUCHGFHPRKG-IRXDYDNUSA-N 2 0 353.551 2.096 10 0 FEAERP C[NH+](C)CCOc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106459150 543231129 /nfs/dbraw/zinc/23/11/29/543231129.db2.gz CUZOIUOCUCSRAV-NRFANRHFSA-N 2 0 369.509 2.416 10 0 FEAERP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106912567 543254759 /nfs/dbraw/zinc/25/47/59/543254759.db2.gz OOTRSZHUVYGECV-HXUWFJFHSA-N 2 0 369.509 2.416 10 0 FEAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186437373 327961849 /nfs/dbraw/zinc/96/18/49/327961849.db2.gz UJOJURBWQOQWBS-ROUUACIJSA-N 2 0 363.502 2.086 10 0 FEAERP CC(C)CNC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112549986 325790401 /nfs/dbraw/zinc/79/04/01/325790401.db2.gz GTEFEUNLFWHUIE-PXNSSMCTSA-N 2 0 361.530 2.182 10 0 FEAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](CCOCC)[C@H](CC)C2)CC1 ZINC000117041828 326049233 /nfs/dbraw/zinc/04/92/33/326049233.db2.gz ASUBSSSBGIFOEW-LJQANCHMSA-N 2 0 368.566 2.251 10 0 FEAERP CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000131759884 326581385 /nfs/dbraw/zinc/58/13/85/326581385.db2.gz JTEDWXIKRMATJH-WOJBJXKFSA-N 2 0 361.530 2.231 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164119158 327064918 /nfs/dbraw/zinc/06/49/18/327064918.db2.gz LMDQMWPNYMACFQ-LAUBAEHRSA-N 2 0 371.525 2.200 10 0 FEAERP COc1ccc(NC(=O)CC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000170941665 327108561 /nfs/dbraw/zinc/10/85/61/327108561.db2.gz PYKGXVLSAVAMOR-INIZCTEOSA-N 2 0 363.502 2.048 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000171351181 327134195 /nfs/dbraw/zinc/13/41/95/327134195.db2.gz ICRDFNAHWVMXGT-SFHVURJKSA-N 2 0 362.518 2.301 10 0 FEAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171900355 327168575 /nfs/dbraw/zinc/16/85/75/327168575.db2.gz HUMSWCWTPXXQET-FQEVSTJZSA-N 2 0 356.514 2.449 10 0 FEAERP C[C@@]([NH3+])(C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Br)cc1 ZINC000261765305 328818054 /nfs/dbraw/zinc/81/80/54/328818054.db2.gz JYAZMWDICVKDIY-BBRMVZONSA-N 2 0 354.292 2.209 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000176867148 546498463 /nfs/dbraw/zinc/49/84/63/546498463.db2.gz OSNTYGIVRIVLAD-NQIIRXRSSA-N 2 0 373.541 2.202 10 0 FEAERP CC(C)[N@H+](C)CC(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177455622 546623138 /nfs/dbraw/zinc/62/31/38/546623138.db2.gz WAKJQDMFMHYZRX-HXUWFJFHSA-N 2 0 361.530 2.231 10 0 FEAERP CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180620393 547143730 /nfs/dbraw/zinc/14/37/30/547143730.db2.gz YDTLLQXHGOQYDM-NVXWUHKLSA-N 2 0 357.502 2.447 10 0 FEAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182641878 547526269 /nfs/dbraw/zinc/52/62/69/547526269.db2.gz VVVAJFINTVMOLG-PXNSSMCTSA-N 2 0 361.530 2.416 10 0 FEAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000194432126 548481581 /nfs/dbraw/zinc/48/15/81/548481581.db2.gz ZLWKNSFKLZBAIM-WOJBJXKFSA-N 2 0 356.514 2.388 10 0 FEAERP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)C[C@@H](C)O1 ZINC000245996943 549033096 /nfs/dbraw/zinc/03/30/96/549033096.db2.gz CEXMRVQVWBLRMD-MBOZVWFJSA-N 2 0 374.529 2.141 10 0 FEAERP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247032313 549269393 /nfs/dbraw/zinc/26/93/93/549269393.db2.gz MLNOIJAWHPJJRP-RBUKOAKNSA-N 2 0 359.470 2.242 10 0 FEAERP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1CCOC ZINC000247980031 549397672 /nfs/dbraw/zinc/39/76/72/549397672.db2.gz HHTUBKYNQPBJJJ-AQNXPRMDSA-N 2 0 374.529 2.184 10 0 FEAERP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661233 549479619 /nfs/dbraw/zinc/47/96/19/549479619.db2.gz WXPGGJOSKYVMQU-FCHUYYIVSA-N 2 0 369.509 2.413 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000248764418 549497862 /nfs/dbraw/zinc/49/78/62/549497862.db2.gz NGAZUVHKGPAPSV-APWZRJJASA-N 2 0 374.529 2.312 10 0 FEAERP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261938512 549772261 /nfs/dbraw/zinc/77/22/61/549772261.db2.gz MPBMSLMPKKPKSZ-VAMGGRTRSA-N 2 0 357.498 2.056 10 0 FEAERP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261982491 549776949 /nfs/dbraw/zinc/77/69/49/549776949.db2.gz ROGOCDBXIWHROK-HOTGVXAUSA-N 2 0 351.516 2.219 10 0 FEAERP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000195193427 672778520 /nfs/dbraw/zinc/77/85/20/672778520.db2.gz ZPJFBBRVOPHBBG-QFBILLFUSA-N 2 0 355.523 2.070 10 0 FEAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000246011133 672827939 /nfs/dbraw/zinc/82/79/39/672827939.db2.gz TUYBRYVMGHBKLJ-ZACQAIPSSA-N 2 0 355.523 2.068 10 0 FEAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111062 677516322 /nfs/dbraw/zinc/51/63/22/677516322.db2.gz CHLVJYOGGBAAFI-ARFHVFGLSA-N 2 0 355.404 2.165 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000106126278 543204436 /nfs/dbraw/zinc/20/44/36/543204436.db2.gz HPBOUGJIOMIDCV-CQSZACIVSA-N 2 0 353.894 2.303 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000106126289 543204905 /nfs/dbraw/zinc/20/49/05/543204905.db2.gz VWLBERABCBDAST-ZDUSSCGKSA-N 2 0 371.884 2.442 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000113607046 543492726 /nfs/dbraw/zinc/49/27/26/543492726.db2.gz DALKTWVRUWDLNO-SJLPKXTDSA-N 2 0 360.502 2.005 10 0 FEAERP CC[N@H+](CC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1)C1CC1 ZINC000153324630 544761715 /nfs/dbraw/zinc/76/17/15/544761715.db2.gz RWUNOUUTFSNTLU-INIZCTEOSA-N 2 0 351.516 2.030 10 0 FEAERP CSC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000187879794 328052123 /nfs/dbraw/zinc/05/21/23/328052123.db2.gz OIXIUUJLDFBNIT-RBUKOAKNSA-N 2 0 352.544 2.088 10 0 FEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190705918 328226375 /nfs/dbraw/zinc/22/63/75/328226375.db2.gz VKLIAPVYPFOYCT-PKOBYXMFSA-N 2 0 361.534 2.275 10 0 FEAERP C[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000190697397 328225259 /nfs/dbraw/zinc/22/52/59/328225259.db2.gz BDMXDHGISWEFKP-AZUAARDMSA-N 2 0 373.545 2.277 10 0 FEAERP COCCOc1ccccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121138279 326316340 /nfs/dbraw/zinc/31/63/40/326316340.db2.gz RAAAUFBXZUVZRG-KRWDZBQOSA-N 2 0 350.503 2.236 10 0 FEAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)C[C@H]3C[NH3+])cc2)CC1 ZINC000261713817 328813777 /nfs/dbraw/zinc/81/37/77/328813777.db2.gz GJDNHJWHBPTJDK-PXNSSMCTSA-N 2 0 358.530 2.416 10 0 FEAERP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000183146879 547610731 /nfs/dbraw/zinc/61/07/31/547610731.db2.gz MFWGPXXBBUWAQP-QUCCMNQESA-N 2 0 359.514 2.186 10 0 FEAERP CC(C)N1CC[C@H]([N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000245468331 548929676 /nfs/dbraw/zinc/92/96/76/548929676.db2.gz KPGUYGSNACKWOT-LEWJYISDSA-N 2 0 373.541 2.373 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000246593686 549169926 /nfs/dbraw/zinc/16/99/26/549169926.db2.gz PNOFIXBURUNFFI-HKBOAZHASA-N 2 0 371.525 2.363 10 0 FEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246995556 549259859 /nfs/dbraw/zinc/25/98/59/549259859.db2.gz FIPAMPYCVLNQDC-MJGOQNOKSA-N 2 0 371.529 2.447 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000247037430 549270426 /nfs/dbraw/zinc/27/04/26/549270426.db2.gz GMPLKBNRFVIVDD-NQIIRXRSSA-N 2 0 370.541 2.067 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000247255191 549307361 /nfs/dbraw/zinc/30/73/61/549307361.db2.gz NSCWBESUHGRISF-MJGOQNOKSA-N 2 0 374.529 2.395 10 0 FEAERP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000247817287 549384175 /nfs/dbraw/zinc/38/41/75/549384175.db2.gz WLROISGPCIXBOZ-ICSRJNTNSA-N 2 0 364.530 2.068 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000248453973 549441665 /nfs/dbraw/zinc/44/16/65/549441665.db2.gz LRGSICZVGZGPGB-GBESFXJTSA-N 2 0 368.566 2.128 10 0 FEAERP COc1ccccc1CNC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261892056 549766870 /nfs/dbraw/zinc/76/68/70/549766870.db2.gz ZUYZEAPYFGNRMB-DBVUQKKJSA-N 2 0 367.493 2.374 10 0 FEAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000180210097 672410843 /nfs/dbraw/zinc/41/08/43/672410843.db2.gz TUYBRYVMGHBKLJ-IKGGRYGDSA-N 2 0 355.523 2.068 10 0 FEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151923 677517659 /nfs/dbraw/zinc/51/76/59/677517659.db2.gz XXBOCLJLNJIKSK-XZDPQHSOSA-N 2 0 355.404 2.021 10 0 FEAERP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000067344641 541446880 /nfs/dbraw/zinc/44/68/80/541446880.db2.gz ZZXJNGCDEYPFOM-KRWDZBQOSA-N 2 0 374.529 2.110 10 0 FEAERP O[C@@H]1CN(C2CC[NH+](Cc3ccccn3)CC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000012305724 207359115 /nfs/dbraw/zinc/35/91/15/207359115.db2.gz KDPWTUWUMOTSBS-FGZHOGPDSA-N 2 0 372.557 2.357 10 0 FEAERP Cc1ccc2[nH]c(C[NH+]3CCC4(CC3)C[N@@H+](C)CCN4C)cc(=O)c2c1 ZINC000092020696 209011184 /nfs/dbraw/zinc/01/11/84/209011184.db2.gz CAKPGMUWPQEAPE-UHFFFAOYSA-N 2 0 354.498 2.461 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000106125351 543204497 /nfs/dbraw/zinc/20/44/97/543204497.db2.gz XSLFWHSLVXQHPU-QZTJIDSGSA-N 2 0 373.541 2.379 10 0 FEAERP CCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127863 543204865 /nfs/dbraw/zinc/20/48/65/543204865.db2.gz KYMJPRJSFHINQG-PXNSSMCTSA-N 2 0 361.530 2.279 10 0 FEAERP Cc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000117040933 543621760 /nfs/dbraw/zinc/62/17/60/543621760.db2.gz BOMDJJRYLXRTOJ-VQTJNVASSA-N 2 0 374.529 2.104 10 0 FEAERP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000191486047 328268122 /nfs/dbraw/zinc/26/81/22/328268122.db2.gz ATITZFCATDYUTG-HXUWFJFHSA-N 2 0 362.566 2.023 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1CC ZINC000117036518 326048101 /nfs/dbraw/zinc/04/81/01/326048101.db2.gz LMQMYTDRJZJALK-SFHVURJKSA-N 2 0 368.566 2.392 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1CC ZINC000119024651 326119340 /nfs/dbraw/zinc/11/93/40/326119340.db2.gz ISEOFJWENCSBHW-CTWPCTMYSA-N 2 0 368.566 2.249 10 0 FEAERP CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000131759668 326581356 /nfs/dbraw/zinc/58/13/56/326581356.db2.gz JTEDWXIKRMATJH-VQTJNVASSA-N 2 0 361.530 2.231 10 0 FEAERP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(F)c1 ZINC000179525672 546971311 /nfs/dbraw/zinc/97/13/11/546971311.db2.gz FYOCCXIFZQSXRW-CQSZACIVSA-N 2 0 352.450 2.137 10 0 FEAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182641898 547526564 /nfs/dbraw/zinc/52/65/64/547526564.db2.gz VVVAJFINTVMOLG-FXAWDEMLSA-N 2 0 361.530 2.416 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000194153218 548441834 /nfs/dbraw/zinc/44/18/34/548441834.db2.gz YPTPFPCMISQWGI-INIZCTEOSA-N 2 0 354.564 2.132 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000246797801 549215439 /nfs/dbraw/zinc/21/54/39/549215439.db2.gz AWAVEDPJYUPQLL-BFYDXBDKSA-N 2 0 350.532 2.477 10 0 FEAERP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C[C@H](C)O ZINC000246919648 549242160 /nfs/dbraw/zinc/24/21/60/549242160.db2.gz QNWKMQZWVQKJRB-CEWLAPEOSA-N 2 0 373.541 2.202 10 0 FEAERP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247772529 549379138 /nfs/dbraw/zinc/37/91/38/549379138.db2.gz PPJWLHPQQYDRCD-OKZBNKHCSA-N 2 0 373.541 2.377 10 0 FEAERP CCS[C@H](C)c1noc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000248132529 549409038 /nfs/dbraw/zinc/40/90/38/549409038.db2.gz OPKPFQNBIVUQBZ-UONOGXRCSA-N 2 0 356.536 2.408 10 0 FEAERP CSC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000249279496 549575609 /nfs/dbraw/zinc/57/56/09/549575609.db2.gz OIXIUUJLDFBNIT-MOPGFXCFSA-N 2 0 352.544 2.088 10 0 FEAERP [NH3+]C1(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CCOCC1 ZINC000261939373 549771712 /nfs/dbraw/zinc/77/17/12/549771712.db2.gz XDUUUSKNOAHRFT-OAHLLOKOSA-N 2 0 369.868 2.240 10 0 FEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)C2)cc1 ZINC000261992572 549777606 /nfs/dbraw/zinc/77/76/06/549777606.db2.gz SXIFOMMUWZALCP-YSFYHYPLSA-N 2 0 357.542 2.298 10 0 FEAERP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000183496327 672470183 /nfs/dbraw/zinc/47/01/83/672470183.db2.gz RADXBYVFCIZQCY-IAGOWNOFSA-N 2 0 354.539 2.002 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000068587634 541612659 /nfs/dbraw/zinc/61/26/59/541612659.db2.gz RPQFIKDCIXKZFU-GOSISDBHSA-N 2 0 350.482 2.383 10 0 FEAERP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105114123 543159087 /nfs/dbraw/zinc/15/90/87/543159087.db2.gz ISLLRWIPZRHEDC-GOSISDBHSA-N 2 0 360.502 2.007 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000106126244 543204657 /nfs/dbraw/zinc/20/46/57/543204657.db2.gz GZNPRMRBPZVQQG-AWEZNQCLSA-N 2 0 360.454 2.023 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)NCC2CCCCC2)CC1 ZINC000109005516 543310462 /nfs/dbraw/zinc/31/04/62/543310462.db2.gz FCYOYZRNIISFHQ-QGZVFWFLSA-N 2 0 353.551 2.098 10 0 FEAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117052324 543622454 /nfs/dbraw/zinc/62/24/54/543622454.db2.gz VLEIBXMVDGGHEI-FXAWDEMLSA-N 2 0 374.529 2.184 10 0 FEAERP CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000117469315 543632198 /nfs/dbraw/zinc/63/21/98/543632198.db2.gz LBIUSZVWPJTPPL-MOPGFXCFSA-N 2 0 362.518 2.042 10 0 FEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000152382957 544646269 /nfs/dbraw/zinc/64/62/69/544646269.db2.gz MMQJQRWTKBKLLQ-LJQANCHMSA-N 2 0 361.534 2.275 10 0 FEAERP COc1cccc(OCC[N@H+](C)C2CCN(CCn3cccn3)CC2)c1 ZINC000152666637 544681412 /nfs/dbraw/zinc/68/14/12/544681412.db2.gz OHVAEFGXOGQRIW-UHFFFAOYSA-N 2 0 358.486 2.367 10 0 FEAERP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCCO1 ZINC000183144889 327803794 /nfs/dbraw/zinc/80/37/94/327803794.db2.gz DVADCZFDRQADAU-CRAIPNDOSA-N 2 0 363.527 2.331 10 0 FEAERP CC[N@H+](CCNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000190705221 328226057 /nfs/dbraw/zinc/22/60/57/328226057.db2.gz NPZPEGVCNKWMDS-SFHVURJKSA-N 2 0 359.518 2.029 10 0 FEAERP C[C@@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000114539306 325902895 /nfs/dbraw/zinc/90/28/95/325902895.db2.gz NGUJFTSNDNYERR-KURKYZTESA-N 2 0 373.545 2.053 10 0 FEAERP CCC[C@@H](C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)[NH+](C)C ZINC000161590477 327003589 /nfs/dbraw/zinc/00/35/89/327003589.db2.gz YPBHJBFLVBVDHA-FQEVSTJZSA-N 2 0 360.546 2.171 10 0 FEAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000170835483 327101322 /nfs/dbraw/zinc/10/13/22/327101322.db2.gz JWALMVLFCJXSJJ-CVEARBPZSA-N 2 0 350.532 2.306 10 0 FEAERP COC(=O)c1cc(F)ccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000170941663 327108648 /nfs/dbraw/zinc/10/86/48/327108648.db2.gz ZGPMWQGIUJRNIC-AWEZNQCLSA-N 2 0 352.450 2.137 10 0 FEAERP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171857367 327165916 /nfs/dbraw/zinc/16/59/16/327165916.db2.gz CHSXJTMPNDBYGR-OAQYLSRUSA-N 2 0 370.541 2.286 10 0 FEAERP CN(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000172159567 327184708 /nfs/dbraw/zinc/18/47/08/327184708.db2.gz VTVYCDVCGPPYEP-CJNGLKHVSA-N 2 0 352.429 2.057 10 0 FEAERP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2)CC1 ZINC000173748813 327281128 /nfs/dbraw/zinc/28/11/28/327281128.db2.gz WMHQCBJMDPYULK-HXUWFJFHSA-N 2 0 356.514 2.139 10 0 FEAERP O[C@H](COCc1ccccc1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950739 327297109 /nfs/dbraw/zinc/29/71/09/327297109.db2.gz CGCVKLPCHBEPPM-FQEVSTJZSA-N 2 0 362.514 2.141 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000174438946 327327080 /nfs/dbraw/zinc/32/70/80/327327080.db2.gz DIKPMJMGJDIJSD-RTBURBONSA-N 2 0 374.529 2.395 10 0 FEAERP C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000175500389 327396372 /nfs/dbraw/zinc/39/63/72/327396372.db2.gz HYUWONNSEKXOTJ-ZDUSSCGKSA-N 2 0 354.445 2.351 10 0 FEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262854838 328895094 /nfs/dbraw/zinc/89/50/94/328895094.db2.gz VSEFPWGAPYSERP-IBGZPJMESA-N 2 0 369.513 2.320 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2nc(-c3ccccc3)no2)CC1 ZINC000157961357 545804573 /nfs/dbraw/zinc/80/45/73/545804573.db2.gz STJGYLDEHJCDFJ-MRXNPFEDSA-N 2 0 358.486 2.304 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC000172125080 546236517 /nfs/dbraw/zinc/23/65/17/546236517.db2.gz KJUDJSRZTSOKRT-IBGZPJMESA-N 2 0 366.550 2.003 10 0 FEAERP CC[NH+](CC)CC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177466024 546625171 /nfs/dbraw/zinc/62/51/71/546625171.db2.gz UDTIELUSULTKHN-FQEVSTJZSA-N 2 0 361.530 2.232 10 0 FEAERP Cn1cc([C@H]2CCC[N@@H+]2CCOCC[NH+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000178636559 546824274 /nfs/dbraw/zinc/82/42/74/546824274.db2.gz OIOAINICHHRUMY-BGYRXZFFSA-N 2 0 372.517 2.144 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000182077309 547432872 /nfs/dbraw/zinc/43/28/72/547432872.db2.gz AAJOEPJQBOOWOV-IAGOWNOFSA-N 2 0 373.501 2.317 10 0 FEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000194325669 548466251 /nfs/dbraw/zinc/46/62/51/548466251.db2.gz OOTIXOYSNMXBDX-KRWDZBQOSA-N 2 0 359.518 2.434 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+]2CC)[C@H](C)C1 ZINC000245428875 548915982 /nfs/dbraw/zinc/91/59/82/548915982.db2.gz XTAREDKFGZPTCA-QRVBRYPASA-N 2 0 368.566 2.249 10 0 FEAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246504656 549149075 /nfs/dbraw/zinc/14/90/75/549149075.db2.gz UJQCWWQNRBVDQP-RTWAWAEBSA-N 2 0 370.541 2.431 10 0 FEAERP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000246517418 549150607 /nfs/dbraw/zinc/15/06/07/549150607.db2.gz OFKYVPOCTDVADY-HOJAQTOUSA-N 2 0 374.529 2.012 10 0 FEAERP CCCN1Cc2cccc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)c2C1 ZINC000246550381 549159378 /nfs/dbraw/zinc/15/93/78/549159378.db2.gz WAFQFQBIAMQLQN-DNVCBOLYSA-N 2 0 372.513 2.196 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)[C@H](C)C1 ZINC000247272228 549309567 /nfs/dbraw/zinc/30/95/67/549309567.db2.gz RKGKOTJMQKZZDM-QYZOEREBSA-N 2 0 366.550 2.003 10 0 FEAERP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247805798 549381574 /nfs/dbraw/zinc/38/15/74/549381574.db2.gz SPTVJESGLKNMGR-DHADLLTHSA-N 2 0 353.551 2.094 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248461138 549444356 /nfs/dbraw/zinc/44/43/56/549444356.db2.gz UCQOCQNLHIMJHL-ZWKOTPCHSA-N 2 0 368.566 2.128 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248717850 549489384 /nfs/dbraw/zinc/48/93/84/549489384.db2.gz FMPSZBQBCHONJA-HOJAQTOUSA-N 2 0 356.514 2.387 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261749003 549751701 /nfs/dbraw/zinc/75/17/01/549751701.db2.gz MOHZPGMWENTQQZ-PVUWLOKVSA-N 2 0 366.303 2.318 10 0 FEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)C2)cc1 ZINC000261992570 549778165 /nfs/dbraw/zinc/77/81/65/549778165.db2.gz SXIFOMMUWZALCP-GXRSIYKFSA-N 2 0 357.542 2.298 10 0 FEAERP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000180209986 672410873 /nfs/dbraw/zinc/41/08/73/672410873.db2.gz DBUGLASHBWQRQE-JCYILVPMSA-N 2 0 355.523 2.259 10 0 FEAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000246011130 672827863 /nfs/dbraw/zinc/82/78/63/672827863.db2.gz TUYBRYVMGHBKLJ-BRWVUGGUSA-N 2 0 355.523 2.068 10 0 FEAERP CCC[NH+]1CCC(N2C[C@H]([NH2+]C3CCCCCC3)C[C@H]2C(=O)NC)CC1 ZINC000020600392 539676025 /nfs/dbraw/zinc/67/60/25/539676025.db2.gz RQTLBDMSMYQPDZ-QUCCMNQESA-N 2 0 364.578 2.362 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000247374962 549326027 /nfs/dbraw/zinc/32/60/27/549326027.db2.gz PKCANPBDSHFPRE-FXAWDEMLSA-N 2 0 374.529 2.047 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000247400612 549329160 /nfs/dbraw/zinc/32/91/60/549329160.db2.gz LMDQMWPNYMACFQ-UTKZUKDTSA-N 2 0 371.525 2.200 10 0 FEAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000104787290 543144036 /nfs/dbraw/zinc/14/40/36/543144036.db2.gz MTGMADARVPHIBX-FXAWDEMLSA-N 2 0 374.529 2.191 10 0 FEAERP Cc1c(O)ccc2c(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc(=O)oc12 ZINC000106126076 543204665 /nfs/dbraw/zinc/20/46/65/543204665.db2.gz ANJVNQCXJMJBCC-AWEZNQCLSA-N 2 0 374.481 2.332 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000162499031 327027255 /nfs/dbraw/zinc/02/72/55/327027255.db2.gz AGNHEQQHVDWTAN-JLSDUUJJSA-N 2 0 350.482 2.456 10 0 FEAERP COc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000171896331 327167997 /nfs/dbraw/zinc/16/79/97/327167997.db2.gz VAPFZODQEBEKDY-QUCCMNQESA-N 2 0 372.513 2.322 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCCC2)C[C@@H]1CC ZINC000172117483 327181836 /nfs/dbraw/zinc/18/18/36/327181836.db2.gz BOKPLEQBBPANNK-SFHVURJKSA-N 2 0 354.539 2.005 10 0 FEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246294222 549098744 /nfs/dbraw/zinc/09/87/44/549098744.db2.gz BHNHJPPEDBNUIG-BWPNAZKDSA-N 2 0 358.530 2.489 10 0 FEAERP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1N1CCOCC1 ZINC000246966525 549252949 /nfs/dbraw/zinc/25/29/49/549252949.db2.gz LPEJHPWXPXWRGT-GIVPXCGWSA-N 2 0 371.525 2.078 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000247767924 549377840 /nfs/dbraw/zinc/37/78/40/549377840.db2.gz OIKZUCHGFHPRKG-IAGOWNOFSA-N 2 0 353.551 2.096 10 0 FEAERP CC(C)OC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247780319 549381229 /nfs/dbraw/zinc/38/12/29/549381229.db2.gz XLTOMJROYMAUHQ-NHCUHLMSSA-N 2 0 364.530 2.150 10 0 FEAERP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000247807954 549382894 /nfs/dbraw/zinc/38/28/94/549382894.db2.gz TYFBZETYNLMBLR-KSZLIROESA-N 2 0 361.530 2.277 10 0 FEAERP O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000248345080 549420938 /nfs/dbraw/zinc/42/09/38/549420938.db2.gz MJFJGBSQBYGGFR-NRFANRHFSA-N 2 0 370.541 2.069 10 0 FEAERP Cc1cc(Br)ccc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261768235 549753525 /nfs/dbraw/zinc/75/35/25/549753525.db2.gz VPBSPINWTZGUNO-UBHSHLNASA-N 2 0 352.276 2.365 10 0 FEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261872964 549765302 /nfs/dbraw/zinc/76/53/02/549765302.db2.gz OHRAOAXSAAHWRM-CALCHBBNSA-N 2 0 359.514 2.289 10 0 FEAERP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000169789519 672322567 /nfs/dbraw/zinc/32/25/67/672322567.db2.gz YEKMKYXPNXCTJG-KRWDZBQOSA-N 2 0 352.906 2.493 10 0 FEAERP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000180210769 672411049 /nfs/dbraw/zinc/41/10/49/672411049.db2.gz ZGTUMLZTGIRTLG-YESZJQIVSA-N 2 0 355.523 2.116 10 0 FEAERP Cc1c[nH]c(CC[NH2+]Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)n1 ZINC000011935503 207330561 /nfs/dbraw/zinc/33/05/61/207330561.db2.gz RTKVWDKAZOWISP-LJQANCHMSA-N 2 0 372.513 2.276 10 0 FEAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CC[NH+](C)CC3)nc2)C1 ZINC000011873378 207327568 /nfs/dbraw/zinc/32/75/68/207327568.db2.gz QBOZEYBBOHYRAA-QGZVFWFLSA-N 2 0 373.545 2.295 10 0 FEAERP Cc1cc(N2CCC([NH2+]CCCN3CCc4ccccc43)CC2)nc(N)[nH+]1 ZINC000095354236 132207302 /nfs/dbraw/zinc/20/73/02/132207302.db2.gz NIFZBCHBIQRJHM-UHFFFAOYSA-N 2 0 366.513 2.378 10 0 FEAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000112549955 543451409 /nfs/dbraw/zinc/45/14/09/543451409.db2.gz RTYVTSRNPUQRNU-VQIMIIECSA-N 2 0 361.530 2.325 10 0 FEAERP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOCC)[C@H](CC)C2)CC1 ZINC000117042099 543621534 /nfs/dbraw/zinc/62/15/34/543621534.db2.gz OWEIEZPCIWRPDC-LJQANCHMSA-N 2 0 368.566 2.393 10 0 FEAERP C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccc(-n2ccnc2)c1 ZINC000189887387 328173874 /nfs/dbraw/zinc/17/38/74/328173874.db2.gz AZEDCIWIQGWNHK-CQSZACIVSA-N 2 0 367.409 2.142 10 0 FEAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nnnn1C1CC1 ZINC000190576845 328217200 /nfs/dbraw/zinc/21/72/00/328217200.db2.gz AKWDCMIVOKWAEV-HNAYVOBHSA-N 2 0 370.501 2.104 10 0 FEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000190905628 328239632 /nfs/dbraw/zinc/23/96/32/328239632.db2.gz ARMVYQBLDNZSIE-FDYSRKEFSA-N 2 0 352.519 2.421 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@@H]1CC ZINC000117029348 326048110 /nfs/dbraw/zinc/04/81/10/326048110.db2.gz ASFYRBRBMVASNG-IBGZPJMESA-N 2 0 368.566 2.249 10 0 FEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117050385 326048795 /nfs/dbraw/zinc/04/87/95/326048795.db2.gz QILYGTJSVQXUAZ-FUHWJXTLSA-N 2 0 362.518 2.088 10 0 FEAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(OC)c1OC ZINC000121097192 326313018 /nfs/dbraw/zinc/31/30/18/326313018.db2.gz CNBGQBKORLOINS-OAHLLOKOSA-N 2 0 366.502 2.237 10 0 FEAERP CC1CC[NH+](CC(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000121772829 326365974 /nfs/dbraw/zinc/36/59/74/326365974.db2.gz YHUWWLDSYVCEAI-OAQYLSRUSA-N 2 0 373.541 2.280 10 0 FEAERP Cc1ccc(OC[C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000170941617 327108575 /nfs/dbraw/zinc/10/85/75/327108575.db2.gz UJDDKOORALPCPU-UYAOXDASSA-N 2 0 364.530 2.068 10 0 FEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171807360 327162740 /nfs/dbraw/zinc/16/27/40/327162740.db2.gz TULCCOPRSGYHHP-GOSISDBHSA-N 2 0 357.502 2.059 10 0 FEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000172134671 327182887 /nfs/dbraw/zinc/18/28/87/327182887.db2.gz FIPAMPYCVLNQDC-PKOBYXMFSA-N 2 0 371.529 2.447 10 0 FEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174290572 327317621 /nfs/dbraw/zinc/31/76/21/327317621.db2.gz SRJSBTYIQGQONQ-FQEVSTJZSA-N 2 0 360.546 2.140 10 0 FEAERP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)nc2)CC1 ZINC000262036069 328837042 /nfs/dbraw/zinc/83/70/42/328837042.db2.gz XYGYJKCPXOZPIO-ZCNNSNEGSA-N 2 0 373.545 2.181 10 0 FEAERP CC[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1CCOC ZINC000176010509 546389914 /nfs/dbraw/zinc/38/99/14/546389914.db2.gz PHIJSILGQXBKCL-GOSISDBHSA-N 2 0 366.550 2.146 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176629567 546470461 /nfs/dbraw/zinc/47/04/61/546470461.db2.gz WNDBRJDUUYMHRP-SFHVURJKSA-N 2 0 354.539 2.002 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000177310748 546591917 /nfs/dbraw/zinc/59/19/17/546591917.db2.gz NHKOWEVBHHDVHK-HXUWFJFHSA-N 2 0 374.529 2.145 10 0 FEAERP O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177752454 546679672 /nfs/dbraw/zinc/67/96/72/546679672.db2.gz MJFJGBSQBYGGFR-OAQYLSRUSA-N 2 0 370.541 2.069 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC000179517421 546969155 /nfs/dbraw/zinc/96/91/55/546969155.db2.gz FGOBYTXXGRPCPO-GOSISDBHSA-N 2 0 361.530 2.048 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1CC ZINC000182691675 547534291 /nfs/dbraw/zinc/53/42/91/547534291.db2.gz KFQFMZFVHIGABP-MOPGFXCFSA-N 2 0 368.566 2.393 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000245658653 548967448 /nfs/dbraw/zinc/96/74/48/548967448.db2.gz CWJMPYYDMBBGGK-PMACEKPBSA-N 2 0 371.529 2.314 10 0 FEAERP Cn1cc([C@@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000247067106 549275887 /nfs/dbraw/zinc/27/58/87/549275887.db2.gz OIOAINICHHRUMY-PMACEKPBSA-N 2 0 372.517 2.144 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000247245969 549306017 /nfs/dbraw/zinc/30/60/17/549306017.db2.gz NHKUNCHTTIRYHT-WMZOPIPTSA-N 2 0 360.502 2.005 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000247255182 549307635 /nfs/dbraw/zinc/30/76/35/549307635.db2.gz NSCWBESUHGRISF-HKUYNNGSSA-N 2 0 374.529 2.395 10 0 FEAERP CCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247600538 549364823 /nfs/dbraw/zinc/36/48/23/549364823.db2.gz KYMJPRJSFHINQG-YLJYHZDGSA-N 2 0 361.530 2.279 10 0 FEAERP CC(C)C[N@@H+]1CC[C@@H](c2nnc3n2CC[NH+](Cc2cccnc2)CC3)C1 ZINC000257194424 549715928 /nfs/dbraw/zinc/71/59/28/549715928.db2.gz UAOAYBSPVDVQLL-GOSISDBHSA-N 2 0 354.502 2.177 10 0 FEAERP NCc1nc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000261893508 549766681 /nfs/dbraw/zinc/76/66/81/549766681.db2.gz AOTLRJLQZDWQHZ-UHFFFAOYSA-N 2 0 369.391 2.255 10 0 FEAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262854840 549856172 /nfs/dbraw/zinc/85/61/72/549856172.db2.gz VSEFPWGAPYSERP-LJQANCHMSA-N 2 0 369.513 2.320 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2CCCCCCC2)CC1 ZINC000106126218 670809284 /nfs/dbraw/zinc/80/92/84/670809284.db2.gz ISJVHBSRRXYCKU-KRWDZBQOSA-N 2 0 353.551 2.240 10 0 FEAERP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000653043167 677512987 /nfs/dbraw/zinc/51/29/87/677512987.db2.gz FHWVPRUVTFBQPB-HZPDHXFCSA-N 2 0 355.404 2.119 10 0 FEAERP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000653122371 677516671 /nfs/dbraw/zinc/51/66/71/677516671.db2.gz VDCQNENXEWYNNZ-DTZQCDIJSA-N 2 0 355.404 2.164 10 0 FEAERP C[C@H](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000653123777 677516762 /nfs/dbraw/zinc/51/67/62/677516762.db2.gz HMLFTCZNYMARJO-FVQBIDKESA-N 2 0 357.420 2.411 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN([C@H](C)c3cccnc3)CC2)C1 ZINC000247373075 549326147 /nfs/dbraw/zinc/32/61/47/549326147.db2.gz PGRXBLFOURCIPM-LMMKCTJWSA-N 2 0 359.518 2.199 10 0 FEAERP CC(C)[NH+]1CCC([C@H]2[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000065532554 541243756 /nfs/dbraw/zinc/24/37/56/541243756.db2.gz WOCKBKJIKFVCFL-CIAFKFPVSA-N 3 0 357.542 2.144 10 0 FEAERP C[C@H]1CCCC[N@@H+]1CCN(C)c1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000071750811 541770076 /nfs/dbraw/zinc/77/00/76/541770076.db2.gz AIPWTHVPTCEWKW-INIZCTEOSA-N 2 0 366.513 2.495 10 0 FEAERP CCN(CC)C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128122 543205469 /nfs/dbraw/zinc/20/54/69/543205469.db2.gz RPNYZNHFEMLXHT-HXUWFJFHSA-N 2 0 361.530 2.232 10 0 FEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000190695013 328225607 /nfs/dbraw/zinc/22/56/07/328225607.db2.gz ULTFHNIDPZWAFR-RBUKOAKNSA-N 2 0 371.529 2.029 10 0 FEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000191003427 328244846 /nfs/dbraw/zinc/24/48/46/328244846.db2.gz RPWBIPGISBFWMV-DDUYZKFLSA-N 2 0 364.530 2.420 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)C[C@H]1CC ZINC000117029347 326048143 /nfs/dbraw/zinc/04/81/43/326048143.db2.gz ASFYRBRBMVASNG-LJQANCHMSA-N 2 0 368.566 2.249 10 0 FEAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C1 ZINC000121071520 326311423 /nfs/dbraw/zinc/31/14/23/326311423.db2.gz JRKFTHNVVQXYTR-LJQANCHMSA-N 2 0 356.514 2.395 10 0 FEAERP CCC[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000161904749 327012122 /nfs/dbraw/zinc/01/21/22/327012122.db2.gz OKKARFSMYOHIOG-WMZOPIPTSA-N 2 0 360.502 2.053 10 0 FEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171807569 327162813 /nfs/dbraw/zinc/16/28/13/327162813.db2.gz MAELXODYFFZSSK-KRWDZBQOSA-N 2 0 357.502 2.140 10 0 FEAERP C[C@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246721992 328639901 /nfs/dbraw/zinc/63/99/01/328639901.db2.gz NGUJFTSNDNYERR-KZNAEPCWSA-N 2 0 373.545 2.053 10 0 FEAERP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1ccc(F)cc1 ZINC000264703461 329050826 /nfs/dbraw/zinc/05/08/26/329050826.db2.gz QTOZSUQQDQYRAG-IRXDYDNUSA-N 2 0 359.449 2.292 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000157829032 545789876 /nfs/dbraw/zinc/78/98/76/545789876.db2.gz HNCDPSJEBJRHGR-LPHOPBHVSA-N 2 0 362.518 2.155 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000181689542 547361542 /nfs/dbraw/zinc/36/15/42/547361542.db2.gz YOWPLUKWQSBTIG-KRWDZBQOSA-N 2 0 367.578 2.296 10 0 FEAERP COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@H]([NH+](C)C)C3)CC[N@@H+]2C2CC2)c1 ZINC000183765080 547716103 /nfs/dbraw/zinc/71/61/03/547716103.db2.gz FSKLSHYFNHZOSO-YSIASYRMSA-N 2 0 372.513 2.319 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000194142259 548440696 /nfs/dbraw/zinc/44/06/96/548440696.db2.gz ZXXCMZCHFXKDPV-HXUWFJFHSA-N 2 0 358.530 2.477 10 0 FEAERP COC(=O)c1oc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000245616916 548958204 /nfs/dbraw/zinc/95/82/04/548958204.db2.gz MUKHOHHCRXVSAO-GJZGRUSLSA-N 2 0 352.475 2.460 10 0 FEAERP c1cc(CN2CC[N@@H+]3CCC[C@H]3C2)ccc1CN1CC[NH+]2CCC[C@@H]2C1 ZINC000246252045 549089534 /nfs/dbraw/zinc/08/95/34/549089534.db2.gz FNHGOSTUZRKDCX-SZPZYZBQSA-N 2 0 354.542 2.247 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000246724169 549196273 /nfs/dbraw/zinc/19/62/73/549196273.db2.gz AGNHEQQHVDWTAN-FHLIZLRMSA-N 2 0 350.482 2.456 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000246741797 549201317 /nfs/dbraw/zinc/20/13/17/549201317.db2.gz AZVIJUKOWOYGBG-FXAWDEMLSA-N 2 0 358.530 2.463 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)[C@H](C)C1 ZINC000247169949 549293882 /nfs/dbraw/zinc/29/38/82/549293882.db2.gz JNTGDXQFATVCIL-YRXWBPOGSA-N 2 0 366.550 2.002 10 0 FEAERP [NH3+][C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCOCC1 ZINC000261780693 549755088 /nfs/dbraw/zinc/75/50/88/549755088.db2.gz MZFLDTVIXRDPKX-RBBKRZOGSA-N 2 0 371.525 2.255 10 0 FEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262048437 549784058 /nfs/dbraw/zinc/78/40/58/549784058.db2.gz ZIWDIYDVGRHTFR-BDTNDASRSA-N 2 0 373.541 2.408 10 0 FEAERP CN(C)c1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000311552026 553754940 /nfs/dbraw/zinc/75/49/40/553754940.db2.gz PVGMYGGEURXZGH-YSIASYRMSA-N 2 0 353.514 2.486 10 0 FEAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000154537558 672218256 /nfs/dbraw/zinc/21/82/56/672218256.db2.gz FGFIWHPGHSHDEJ-MAUKXSAKSA-N 2 0 367.921 2.464 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000194169973 672750578 /nfs/dbraw/zinc/75/05/78/672750578.db2.gz KOLONAQNJFCTJG-KRWDZBQOSA-N 2 0 350.482 2.383 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000106125624 543204481 /nfs/dbraw/zinc/20/44/81/543204481.db2.gz BTGYIKPNDHSCOU-CABCVRRESA-N 2 0 351.466 2.177 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000106124779 543204603 /nfs/dbraw/zinc/20/46/03/543204603.db2.gz RMXQKGDUOMKCDV-OAHLLOKOSA-N 2 0 351.466 2.179 10 0 FEAERP C[NH+](C)[C@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000112217215 543434774 /nfs/dbraw/zinc/43/47/74/543434774.db2.gz DDEBSPBJGOTUOL-INIZCTEOSA-N 2 0 354.564 2.084 10 0 FEAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000117040259 543621633 /nfs/dbraw/zinc/62/16/33/543621633.db2.gz KOGCAFGKXDQRDK-VQTJNVASSA-N 2 0 374.529 2.013 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1CC ZINC000117032124 543621665 /nfs/dbraw/zinc/62/16/65/543621665.db2.gz YKBGDKPNBYZTIZ-ROUUACIJSA-N 2 0 354.539 2.003 10 0 FEAERP Cc1c(OCCC[NH+]2CCN(C)CC2)cc(Cl)cc1N1CC[NH2+]CC1 ZINC000150325395 544462442 /nfs/dbraw/zinc/46/24/42/544462442.db2.gz SVQBXJZDAGXPOT-UHFFFAOYSA-N 2 0 366.937 2.074 10 0 FEAERP CC(C)[C@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000119875821 326207571 /nfs/dbraw/zinc/20/75/71/326207571.db2.gz FFDVRMSVKGVZIE-LEWJYISDSA-N 2 0 373.541 2.032 10 0 FEAERP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000152019676 326697081 /nfs/dbraw/zinc/69/70/81/326697081.db2.gz QLTCIFKSRMTKFT-YLJYHZDGSA-N 2 0 374.529 2.089 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000171960655 327173003 /nfs/dbraw/zinc/17/30/03/327173003.db2.gz HSPPHXOONZKKHA-ZDUSSCGKSA-N 2 0 356.308 2.369 10 0 FEAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176060886 327431556 /nfs/dbraw/zinc/43/15/56/327431556.db2.gz OVZHHIYRKHJELS-KRWDZBQOSA-N 2 0 362.518 2.088 10 0 FEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246294251 328605784 /nfs/dbraw/zinc/60/57/84/328605784.db2.gz BHNHJPPEDBNUIG-ZHALLVOQSA-N 2 0 358.530 2.489 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000157495537 545748311 /nfs/dbraw/zinc/74/83/11/545748311.db2.gz RXWGZDYPBJEAIN-APWZRJJASA-N 2 0 359.518 2.074 10 0 FEAERP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158817701 545897684 /nfs/dbraw/zinc/89/76/84/545897684.db2.gz MOAMDYOCQVFJBR-UXHICEINSA-N 3 0 369.513 2.075 10 0 FEAERP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247772525 549378782 /nfs/dbraw/zinc/37/87/82/549378782.db2.gz PPJWLHPQQYDRCD-FGTMMUONSA-N 2 0 373.541 2.377 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000247772532 549378953 /nfs/dbraw/zinc/37/89/53/549378953.db2.gz PPJWLHPQQYDRCD-SQNIBIBYSA-N 2 0 373.541 2.377 10 0 FEAERP CCN(C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000247870679 549387835 /nfs/dbraw/zinc/38/78/35/549387835.db2.gz XKVHQNFQJIMASX-ROUUACIJSA-N 2 0 361.530 2.453 10 0 FEAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000251714076 549651765 /nfs/dbraw/zinc/65/17/65/549651765.db2.gz KSTMSSHEUVYRII-ICSRJNTNSA-N 2 0 373.545 2.277 10 0 FEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000251993660 549658891 /nfs/dbraw/zinc/65/88/91/549658891.db2.gz VKLIAPVYPFOYCT-MJGOQNOKSA-N 2 0 361.534 2.275 10 0 FEAERP CC(=O)Nc1ccc(NC(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261605780 549733817 /nfs/dbraw/zinc/73/38/17/549733817.db2.gz BDDDXHDHXXPDSR-XLIONFOSSA-N 2 0 366.465 2.258 10 0 FEAERP CC(C)c1csc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000262008133 549779774 /nfs/dbraw/zinc/77/97/74/549779774.db2.gz FFJPNWJBKKWLSG-OAHLLOKOSA-N 2 0 350.532 2.268 10 0 FEAERP C[C@@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)[C@@H]1CCCO1 ZINC000183098559 672460098 /nfs/dbraw/zinc/46/00/98/672460098.db2.gz BGNABJIRIKYVDP-ZBFHGGJFSA-N 2 0 366.531 2.471 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)NCC2CCCCC2)CC1 ZINC000109005513 543310489 /nfs/dbraw/zinc/31/04/89/543310489.db2.gz FCYOYZRNIISFHQ-KRWDZBQOSA-N 2 0 353.551 2.098 10 0 FEAERP NC(=O)[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000112549927 543451524 /nfs/dbraw/zinc/45/15/24/543451524.db2.gz POEQDBJYMWLKBZ-LEWJYISDSA-N 2 0 367.493 2.248 10 0 FEAERP Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000117040929 543621641 /nfs/dbraw/zinc/62/16/41/543621641.db2.gz BOMDJJRYLXRTOJ-WOJBJXKFSA-N 2 0 374.529 2.104 10 0 FEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000124406587 543819505 /nfs/dbraw/zinc/81/95/05/543819505.db2.gz CHELOXANUIMGOO-LJQANCHMSA-N 2 0 368.566 2.295 10 0 FEAERP CCC[C@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000129960857 544133421 /nfs/dbraw/zinc/13/34/21/544133421.db2.gz MDBGCBVQELNROM-HNAYVOBHSA-N 2 0 364.509 2.485 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000189462945 328149696 /nfs/dbraw/zinc/14/96/96/328149696.db2.gz BHFCTTYKOMLJNP-IBGZPJMESA-N 2 0 374.529 2.410 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000189495496 328151682 /nfs/dbraw/zinc/15/16/82/328151682.db2.gz KLURGIBCIBVVNS-QFBILLFUSA-N 2 0 372.513 2.162 10 0 FEAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nnnn1C1CC1 ZINC000190576805 328217188 /nfs/dbraw/zinc/21/71/88/328217188.db2.gz AKWDCMIVOKWAEV-KXBFYZLASA-N 2 0 370.501 2.104 10 0 FEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190692729 328225109 /nfs/dbraw/zinc/22/51/09/328225109.db2.gz WYWNCCZSUGKLOH-UYAOXDASSA-N 2 0 373.545 2.419 10 0 FEAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000193122182 328358722 /nfs/dbraw/zinc/35/87/22/328358722.db2.gz PALDNMIFVBPFPD-SFHVURJKSA-N 2 0 362.518 2.425 10 0 FEAERP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)CC1 ZINC000117488665 326062547 /nfs/dbraw/zinc/06/25/47/326062547.db2.gz AGXBNHBNRHZXQK-GOSISDBHSA-N 2 0 354.539 2.003 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000170835409 327101444 /nfs/dbraw/zinc/10/14/44/327101444.db2.gz OWOSGAXVAYREPR-MRXNPFEDSA-N 2 0 350.532 2.306 10 0 FEAERP COc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000170862281 327103377 /nfs/dbraw/zinc/10/33/77/327103377.db2.gz MAVINDGWSHYQFR-HKUYNNGSSA-N 2 0 360.502 2.178 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000170941842 327108962 /nfs/dbraw/zinc/10/89/62/327108962.db2.gz HOSJUITULOFYQS-YJBOKZPZSA-N 2 0 370.921 2.104 10 0 FEAERP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000175191331 327378801 /nfs/dbraw/zinc/37/88/01/327378801.db2.gz BIQWNHPVQVBNCT-YLJYHZDGSA-N 2 0 361.530 2.277 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000177448880 546619927 /nfs/dbraw/zinc/61/99/27/546619927.db2.gz CZDRCGVTLKNINN-SFHVURJKSA-N 2 0 362.518 2.253 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000245664312 548969601 /nfs/dbraw/zinc/96/96/01/548969601.db2.gz DOHPLVYFJRZRCH-MOPGFXCFSA-N 2 0 374.529 2.395 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000247029355 549269343 /nfs/dbraw/zinc/26/93/43/549269343.db2.gz HQSGLGHDHKIFNU-FHLIZLRMSA-N 2 0 350.482 2.456 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000247067623 549276600 /nfs/dbraw/zinc/27/66/00/549276600.db2.gz IUEBSDIRLXRZLD-QFBILLFUSA-N 2 0 359.518 2.074 10 0 FEAERP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000247581061 549362660 /nfs/dbraw/zinc/36/26/60/549362660.db2.gz ILDVCOIPRHEGJR-ZWKOTPCHSA-N 2 0 361.530 2.024 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000249093078 549549366 /nfs/dbraw/zinc/54/93/66/549549366.db2.gz DXOIAWGJRQKARN-HZPDHXFCSA-N 2 0 368.543 2.176 10 0 FEAERP [NH3+]C1(C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)CCOCC1 ZINC000261929928 549770884 /nfs/dbraw/zinc/77/08/84/549770884.db2.gz WBRHVOFTAOYEIS-QGZVFWFLSA-N 2 0 365.905 2.319 10 0 FEAERP COc1ccc(-n2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)n2)cc1 ZINC000261954449 549773810 /nfs/dbraw/zinc/77/38/10/549773810.db2.gz OUFWNOWWJCAESM-XUVXKRRUSA-N 2 0 356.470 2.128 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000130028623 672069548 /nfs/dbraw/zinc/06/95/48/672069548.db2.gz XXBKJDXTJGSQMI-MRXNPFEDSA-N 2 0 355.523 2.070 10 0 FEAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000150997058 672155373 /nfs/dbraw/zinc/15/53/73/672155373.db2.gz HOFKLFDKZOSZLX-UHFFFAOYSA-N 2 0 353.551 2.242 10 0 FEAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653120730 677516741 /nfs/dbraw/zinc/51/67/41/677516741.db2.gz YQJWEPFWAMFKGE-ARFHVFGLSA-N 2 0 355.404 2.165 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000106124724 543204395 /nfs/dbraw/zinc/20/43/95/543204395.db2.gz CDGAGSJBVVBIQT-GOSISDBHSA-N 2 0 373.541 2.207 10 0 FEAERP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000117470485 543632504 /nfs/dbraw/zinc/63/25/04/543632504.db2.gz CNYJOWDFHXBZJU-QGZVFWFLSA-N 2 0 354.539 2.003 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000247545228 549353558 /nfs/dbraw/zinc/35/35/58/549353558.db2.gz DLIMOKOBGJWPRS-VGOFRKELSA-N 2 0 373.541 2.279 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000247545226 549353811 /nfs/dbraw/zinc/35/38/11/549353811.db2.gz DLIMOKOBGJWPRS-HTAPYJJXSA-N 2 0 373.541 2.279 10 0 FEAERP C[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C1CC1 ZINC000190707536 328226477 /nfs/dbraw/zinc/22/64/77/328226477.db2.gz TVBXXXGBVWGPJX-WMZOPIPTSA-N 2 0 359.518 2.028 10 0 FEAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000191592536 328272999 /nfs/dbraw/zinc/27/29/99/328272999.db2.gz DCARWOVWYPFSHK-FXAWDEMLSA-N 2 0 367.484 2.489 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1CC ZINC000117023542 326047872 /nfs/dbraw/zinc/04/78/72/326047872.db2.gz UQYKRVTVCLJYTJ-QGZVFWFLSA-N 2 0 368.566 2.438 10 0 FEAERP CCC[C@@H](C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000129961092 326549194 /nfs/dbraw/zinc/54/91/94/326549194.db2.gz MDBGCBVQELNROM-BEFAXECRSA-N 2 0 364.509 2.485 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000173471800 327259749 /nfs/dbraw/zinc/25/97/49/327259749.db2.gz BQADEWOKPAUVSK-NHCUHLMSSA-N 2 0 370.541 2.133 10 0 FEAERP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000175645908 546327568 /nfs/dbraw/zinc/32/75/68/546327568.db2.gz OFKYVPOCTDVADY-MISYRCLQSA-N 2 0 374.529 2.012 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC000179517410 546969597 /nfs/dbraw/zinc/96/95/97/546969597.db2.gz FGOBYTXXGRPCPO-SFHVURJKSA-N 2 0 361.530 2.048 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179751906 547007372 /nfs/dbraw/zinc/00/73/72/547007372.db2.gz KXRMYHPZYFUABS-LJQANCHMSA-N 2 0 359.518 2.424 10 0 FEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000181321430 547292439 /nfs/dbraw/zinc/29/24/39/547292439.db2.gz HRXNBXRFNNMCKK-SFHVURJKSA-N 2 0 374.529 2.013 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000245469032 548929453 /nfs/dbraw/zinc/92/94/53/548929453.db2.gz LILVOSCABSITBG-PKOBYXMFSA-N 2 0 362.518 2.424 10 0 FEAERP c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(CN2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000245896119 549013259 /nfs/dbraw/zinc/01/32/59/549013259.db2.gz SLDXHXACUKOAOZ-SZPZYZBQSA-N 2 0 354.542 2.247 10 0 FEAERP Cc1ccc(OC[C@H](O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000247809431 549383141 /nfs/dbraw/zinc/38/31/41/549383141.db2.gz UJDDKOORALPCPU-AZUAARDMSA-N 2 0 364.530 2.068 10 0 FEAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000251993656 549659661 /nfs/dbraw/zinc/65/96/61/549659661.db2.gz VKLIAPVYPFOYCT-HKUYNNGSSA-N 2 0 361.534 2.275 10 0 FEAERP CN(C)c1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000311552021 553755000 /nfs/dbraw/zinc/75/50/00/553755000.db2.gz PVGMYGGEURXZGH-DFQSSKMNSA-N 2 0 353.514 2.486 10 0 FEAERP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000169789531 672322764 /nfs/dbraw/zinc/32/27/64/672322764.db2.gz JHLUWOIQPYLPTA-INIZCTEOSA-N 2 0 354.441 2.118 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000183441813 672468391 /nfs/dbraw/zinc/46/83/91/672468391.db2.gz ILQTUKMNLGAJIT-IAGOWNOFSA-N 2 0 355.523 2.212 10 0 FEAERP c1ccc(C[N@H+]2CC[C@H](CCNc3ncnc4c3CC[NH2+]CC4)C2)cc1 ZINC000072427853 210064752 /nfs/dbraw/zinc/06/47/52/210064752.db2.gz RXXYUSYZEVUECO-SFHVURJKSA-N 2 0 351.498 2.489 10 0 FEAERP COc1ccc(C[NH2+]Cc2ccncc2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012436240 539560320 /nfs/dbraw/zinc/56/03/20/539560320.db2.gz HJOUCSNSTJIWKI-IBGZPJMESA-N 2 0 373.497 2.460 10 0 FEAERP COCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000015071602 211118684 /nfs/dbraw/zinc/11/86/84/211118684.db2.gz MBQITTNPXHINRJ-GOSISDBHSA-N 2 0 366.502 2.047 10 0 FEAERP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](C1CC[NH+](C(C)C)CC1)[NH2+][C@]2(CO)CC(C)C ZINC000065410055 221216651 /nfs/dbraw/zinc/21/66/51/221216651.db2.gz VPFMNFPZNHFNSF-MHTWAQMVSA-N 3 0 351.579 2.424 10 0 FEAERP COc1cccc(N2CCC([NH+]3CCN(c4cc(N)cc[nH+]4)CC3)CC2)c1 ZINC000065529467 221230940 /nfs/dbraw/zinc/23/09/40/221230940.db2.gz RVHFPIMBEAGABF-UHFFFAOYSA-N 2 0 367.497 2.463 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000106124995 543204755 /nfs/dbraw/zinc/20/47/55/543204755.db2.gz SPTVJESGLKNMGR-ISXWCOSWSA-N 2 0 353.551 2.094 10 0 FEAERP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000106125717 543204927 /nfs/dbraw/zinc/20/49/27/543204927.db2.gz ILDVCOIPRHEGJR-QZTJIDSGSA-N 2 0 361.530 2.024 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000113589124 543491717 /nfs/dbraw/zinc/49/17/17/543491717.db2.gz USKDJCYMVAWSFZ-SJLPKXTDSA-N 2 0 360.502 2.005 10 0 FEAERP CN(c1ccccc1CNC[C@@H](O)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000133300592 544264279 /nfs/dbraw/zinc/26/42/79/544264279.db2.gz KAYFWCVFIOEIEZ-OAQYLSRUSA-N 2 0 374.573 2.153 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)[C@@H](C)C1 ZINC000121298677 326328181 /nfs/dbraw/zinc/32/81/81/326328181.db2.gz UYFVPONQXJKIKF-UWJYYQICSA-N 2 0 373.541 2.349 10 0 FEAERP C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCOCC1 ZINC000132855716 326598972 /nfs/dbraw/zinc/59/89/72/326598972.db2.gz BSHOLYADVMGWFS-SFHVURJKSA-N 2 0 360.546 2.027 10 0 FEAERP COc1ccc(C[NH+]2CCC(CNC(=O)N3CC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000170835104 327101309 /nfs/dbraw/zinc/10/13/09/327101309.db2.gz BLMRKAWVJDVFGI-IBGZPJMESA-N 2 0 374.529 2.253 10 0 FEAERP CC[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000174623542 327339398 /nfs/dbraw/zinc/33/93/98/327339398.db2.gz JLPYUKYLCROOED-YLJYHZDGSA-N 2 0 359.514 2.200 10 0 FEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000262048439 328838056 /nfs/dbraw/zinc/83/80/56/328838056.db2.gz ZIWDIYDVGRHTFR-VSKRKVRLSA-N 2 0 373.541 2.408 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000157178514 545710609 /nfs/dbraw/zinc/71/06/09/545710609.db2.gz AZVIJUKOWOYGBG-PXNSSMCTSA-N 2 0 358.530 2.463 10 0 FEAERP C[NH+](C)CCCOC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000177087294 546541741 /nfs/dbraw/zinc/54/17/41/546541741.db2.gz FSKSTEANFFNWHK-HXUWFJFHSA-N 2 0 361.530 2.119 10 0 FEAERP O=C(CN1CCCC[C@H]1c1cn[nH]c1)N1CCN(Cc2cccs2)CC1 ZINC000178871845 546864531 /nfs/dbraw/zinc/86/45/31/546864531.db2.gz UDWGJHOMINGYFB-SFHVURJKSA-N 2 0 373.526 2.343 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000246272158 549093908 /nfs/dbraw/zinc/09/39/08/549093908.db2.gz ARTASOPGTDHLEL-QFBILLFUSA-N 2 0 360.502 2.369 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000246724185 549196672 /nfs/dbraw/zinc/19/66/72/549196672.db2.gz AGNHEQQHVDWTAN-ZTFGCOKTSA-N 2 0 350.482 2.456 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1CC ZINC000246924534 549242965 /nfs/dbraw/zinc/24/29/65/549242965.db2.gz BKEQHJYJTMECMR-RTBURBONSA-N 2 0 368.566 2.249 10 0 FEAERP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1N1CCOCC1 ZINC000246966542 549253581 /nfs/dbraw/zinc/25/35/81/549253581.db2.gz LPEJHPWXPXWRGT-HLAWJBBLSA-N 2 0 371.525 2.078 10 0 FEAERP CCOCCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000247201078 549298865 /nfs/dbraw/zinc/29/88/65/549298865.db2.gz TUKZBGCJFATQOM-CTNGQTDRSA-N 2 0 373.541 2.468 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000248764420 549497766 /nfs/dbraw/zinc/49/77/66/549497766.db2.gz NGAZUVHKGPAPSV-VQIMIIECSA-N 2 0 374.529 2.312 10 0 FEAERP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C12CCOCC2 ZINC000249061542 549544778 /nfs/dbraw/zinc/54/47/78/549544778.db2.gz YNMZHECOARNJNP-BHIYHBOVSA-N 2 0 352.519 2.051 10 0 FEAERP COc1ccccc1CN(C)C(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261748303 549750707 /nfs/dbraw/zinc/75/07/07/549750707.db2.gz NCONIQUZNJVLSG-UXHICEINSA-N 2 0 367.493 2.328 10 0 FEAERP C[N@@H+](CC(=O)NC1CCCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128075 543204645 /nfs/dbraw/zinc/20/46/45/543204645.db2.gz UMFLNXLIXCAOMS-NRFANRHFSA-N 2 0 373.541 2.423 10 0 FEAERP CCN(C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000106125713 543204793 /nfs/dbraw/zinc/20/47/93/543204793.db2.gz XKVHQNFQJIMASX-MSOLQXFVSA-N 2 0 361.530 2.453 10 0 FEAERP CC(C)N(C(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000106126741 543204952 /nfs/dbraw/zinc/20/49/52/543204952.db2.gz BYODCIYNLCXICZ-GOSISDBHSA-N 2 0 361.530 2.453 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000106125063 543204972 /nfs/dbraw/zinc/20/49/72/543204972.db2.gz DLIMOKOBGJWPRS-JTSKRJEESA-N 2 0 373.541 2.279 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000247470025 549338473 /nfs/dbraw/zinc/33/84/73/549338473.db2.gz RPJKSKFEBDWEGA-NRSPTQNISA-N 2 0 370.541 2.429 10 0 FEAERP C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189895250 328174589 /nfs/dbraw/zinc/17/45/89/328174589.db2.gz DTOUQIWCLUCPEY-RDTXWAMCSA-N 2 0 350.426 2.062 10 0 FEAERP C[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C1CC1 ZINC000190707499 328226308 /nfs/dbraw/zinc/22/63/08/328226308.db2.gz TVBXXXGBVWGPJX-FUHWJXTLSA-N 2 0 359.518 2.028 10 0 FEAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000112549950 325790366 /nfs/dbraw/zinc/79/03/66/325790366.db2.gz RTYVTSRNPUQRNU-LPHOPBHVSA-N 2 0 361.530 2.325 10 0 FEAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117050391 326048915 /nfs/dbraw/zinc/04/89/15/326048915.db2.gz QILYGTJSVQXUAZ-WMZOPIPTSA-N 2 0 362.518 2.088 10 0 FEAERP COCCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000121091476 326312579 /nfs/dbraw/zinc/31/25/79/326312579.db2.gz WWLDAFUOLRVNLR-QGZVFWFLSA-N 2 0 350.503 2.236 10 0 FEAERP COc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCC2)cc1 ZINC000170862288 327103420 /nfs/dbraw/zinc/10/34/20/327103420.db2.gz MAVINDGWSHYQFR-PKOBYXMFSA-N 2 0 360.502 2.178 10 0 FEAERP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)c(C)c2)CC1 ZINC000170874734 327104579 /nfs/dbraw/zinc/10/45/79/327104579.db2.gz SXRVQPLUHLEBMM-GOSISDBHSA-N 2 0 359.518 2.305 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCCCC2CCCCC2)CC1 ZINC000170941720 327109026 /nfs/dbraw/zinc/10/90/26/327109026.db2.gz LSFNYEVZEAKYCE-SFHVURJKSA-N 2 0 367.578 2.488 10 0 FEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000175672453 327406040 /nfs/dbraw/zinc/40/60/40/327406040.db2.gz OFUJPTPYMAMGMZ-OAQYLSRUSA-N 2 0 366.509 2.335 10 0 FEAERP CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180621311 547143672 /nfs/dbraw/zinc/14/36/72/547143672.db2.gz IVDZZXAZWNVRHD-RDJZCZTQSA-N 2 0 357.502 2.447 10 0 FEAERP Cn1cc(C[N@@H+]2CCCN(CC[NH+](C)Cc3ccc(F)cc3)CC2)cn1 ZINC000181691054 547360865 /nfs/dbraw/zinc/36/08/65/547360865.db2.gz CHRRHPQVJCGVFA-UHFFFAOYSA-N 2 0 359.493 2.199 10 0 FEAERP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)C[C@H](C)O1 ZINC000245996935 549033120 /nfs/dbraw/zinc/03/31/20/549033120.db2.gz CEXMRVQVWBLRMD-FUHIMQAGSA-N 2 0 374.529 2.141 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000246797864 549215394 /nfs/dbraw/zinc/21/53/94/549215394.db2.gz AWAVEDPJYUPQLL-ZMSDIMECSA-N 2 0 350.532 2.477 10 0 FEAERP CC[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000246972110 549254330 /nfs/dbraw/zinc/25/43/30/549254330.db2.gz DXAJSNXCPNLEST-HZPDHXFCSA-N 2 0 368.547 2.103 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000247053502 549273660 /nfs/dbraw/zinc/27/36/60/549273660.db2.gz IJQYLXBBWOEJFW-IEBWSBKVSA-N 2 0 366.550 2.002 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000247185521 549295813 /nfs/dbraw/zinc/29/58/13/549295813.db2.gz LCXRCEDBRDFZHD-XLIONFOSSA-N 2 0 356.514 2.313 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000247882988 549389364 /nfs/dbraw/zinc/38/93/64/549389364.db2.gz ZPPAUBHFBXEYHP-QZTJIDSGSA-N 2 0 373.541 2.379 10 0 FEAERP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000248651345 549477685 /nfs/dbraw/zinc/47/76/85/549477685.db2.gz MVBRSTBTHVCCAN-GGPKGHCWSA-N 2 0 358.530 2.340 10 0 FEAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000251845074 549654312 /nfs/dbraw/zinc/65/43/12/549654312.db2.gz OSPNCIFVDNNUBR-PMACEKPBSA-N 2 0 373.545 2.419 10 0 FEAERP COc1ccc(CN(C)C(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261844983 549761695 /nfs/dbraw/zinc/76/16/95/549761695.db2.gz UVBWOGXMQKGLHW-CTNGQTDRSA-N 2 0 367.493 2.328 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])COC)c1ccc(C(F)(F)F)cc1 ZINC000262171538 549795215 /nfs/dbraw/zinc/79/52/15/549795215.db2.gz AUZDGYQNZNCMBX-CABCVRRESA-N 2 0 361.408 2.178 10 0 FEAERP NC(=O)c1c[nH+]ccc1NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000302217551 553711403 /nfs/dbraw/zinc/71/14/03/553711403.db2.gz KFVJIUZLNZQLHK-IBGZPJMESA-N 2 0 354.454 2.038 10 0 FEAERP CN(C)c1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1C ZINC000311552028 553754926 /nfs/dbraw/zinc/75/49/26/553754926.db2.gz PVGMYGGEURXZGH-YZGWKJHDSA-N 2 0 353.514 2.486 10 0 FEAERP CCn1ccnc1CN(C(=O)[C@@H]([NH3+])c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000583621386 570810776 /nfs/dbraw/zinc/81/07/76/570810776.db2.gz AFGHQWUQQGVYRY-HKUYNNGSSA-N 2 0 367.497 2.074 10 0 FEAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638804398 677150398 /nfs/dbraw/zinc/15/03/98/677150398.db2.gz UJCXINKZEMOQLN-ARFHVFGLSA-N 2 0 355.404 2.023 10 0 FEAERP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649305151 677329131 /nfs/dbraw/zinc/32/91/31/677329131.db2.gz GPSUODOOHCYZRM-SJORKVTESA-N 2 0 351.441 2.402 10 0 FEAERP O=C(NCC[NH+]1CCCC1)c1cc(CN2CCc3ccccc3C2)on1 ZINC000011880082 210101713 /nfs/dbraw/zinc/10/17/13/210101713.db2.gz MEBOCFDTRBPNBU-UHFFFAOYSA-N 2 0 354.454 2.059 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000052594504 540476690 /nfs/dbraw/zinc/47/66/90/540476690.db2.gz JJHMCMKUMDQVLM-IBGZPJMESA-N 2 0 374.529 2.397 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN([C@H](C)c3cccnc3)CC2)C1 ZINC000247373084 549326216 /nfs/dbraw/zinc/32/62/16/549326216.db2.gz PGRXBLFOURCIPM-ZHALLVOQSA-N 2 0 359.518 2.199 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000247388305 549326729 /nfs/dbraw/zinc/32/67/29/549326729.db2.gz QFDODSOSQMXESP-SJLPKXTDSA-N 2 0 362.518 2.155 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000106126413 543204445 /nfs/dbraw/zinc/20/44/45/543204445.db2.gz RKACOCKZKTVBPB-ZDUSSCGKSA-N 2 0 371.884 2.442 10 0 FEAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000122724097 543720094 /nfs/dbraw/zinc/72/00/94/543720094.db2.gz UDTOHUABIKXZKZ-YJBOKZPZSA-N 2 0 350.482 2.285 10 0 FEAERP CC(C)OC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000123113809 543742904 /nfs/dbraw/zinc/74/29/04/543742904.db2.gz XLTOMJROYMAUHQ-SFTDATJTSA-N 2 0 364.530 2.150 10 0 FEAERP COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898955 328174710 /nfs/dbraw/zinc/17/47/10/328174710.db2.gz WPVSGCBVUXGQCY-QAPCUYQASA-N 2 0 372.469 2.227 10 0 FEAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000190591798 328218527 /nfs/dbraw/zinc/21/85/27/328218527.db2.gz JKFKJMZMBGCORG-IBGZPJMESA-N 2 0 358.530 2.482 10 0 FEAERP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000049381293 324682362 /nfs/dbraw/zinc/68/23/62/324682362.db2.gz IKZFBWKDYIBXPQ-LJQANCHMSA-N 2 0 368.481 2.106 10 0 FEAERP CC(C)CNC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112549988 325790326 /nfs/dbraw/zinc/79/03/26/325790326.db2.gz GTEFEUNLFWHUIE-YLJYHZDGSA-N 2 0 361.530 2.182 10 0 FEAERP COCC[N@@H+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000120823580 326291014 /nfs/dbraw/zinc/29/10/14/326291014.db2.gz RMKZHYIDRPKPRJ-LJQANCHMSA-N 2 0 374.573 2.370 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NCCCC2CCCCC2)CC1 ZINC000170941721 327109035 /nfs/dbraw/zinc/10/90/35/327109035.db2.gz LSFNYEVZEAKYCE-GOSISDBHSA-N 2 0 367.578 2.488 10 0 FEAERP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171652990 327152270 /nfs/dbraw/zinc/15/22/70/327152270.db2.gz BMQRMJGTVBEDOZ-SFHVURJKSA-N 2 0 368.481 2.449 10 0 FEAERP CC(C)N1CC[C@H]([N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000175191684 327378779 /nfs/dbraw/zinc/37/87/79/327378779.db2.gz KPGUYGSNACKWOT-SFTDATJTSA-N 2 0 373.541 2.373 10 0 FEAERP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261888842 328827159 /nfs/dbraw/zinc/82/71/59/328827159.db2.gz VGDCMRXVTSCLAS-FQEVSTJZSA-N 2 0 359.514 2.289 10 0 FEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262717067 328883610 /nfs/dbraw/zinc/88/36/10/328883610.db2.gz WBOZBSQRXNTNLT-PMUMKWKESA-N 2 0 350.482 2.128 10 0 FEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262716995 328883677 /nfs/dbraw/zinc/88/36/77/328883677.db2.gz VWACZPHPFZBBEJ-SUMWQHHRSA-N 2 0 361.490 2.214 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2nc(-c3ccccc3)no2)CC1 ZINC000157961212 545805132 /nfs/dbraw/zinc/80/51/32/545805132.db2.gz STJGYLDEHJCDFJ-INIZCTEOSA-N 2 0 358.486 2.304 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC000172125077 546236550 /nfs/dbraw/zinc/23/65/50/546236550.db2.gz KJUDJSRZTSOKRT-LJQANCHMSA-N 2 0 366.550 2.003 10 0 FEAERP CC[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000172320805 546246728 /nfs/dbraw/zinc/24/67/28/546246728.db2.gz DXAJSNXCPNLEST-CVEARBPZSA-N 2 0 368.547 2.103 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NCCC2CC[NH+](CC)CC2)C[C@@H]1CC ZINC000175952195 546379081 /nfs/dbraw/zinc/37/90/81/546379081.db2.gz SHOSWAZHWUCIQR-IBGZPJMESA-N 2 0 368.566 2.251 10 0 FEAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@@H+]1CCOC ZINC000176010523 546390216 /nfs/dbraw/zinc/39/02/16/546390216.db2.gz PHIJSILGQXBKCL-SFHVURJKSA-N 2 0 366.550 2.146 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1CC ZINC000176612867 546467826 /nfs/dbraw/zinc/46/78/26/546467826.db2.gz IVMSJLFBLNUUBG-SQNIBIBYSA-N 2 0 354.539 2.002 10 0 FEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000176903810 546505310 /nfs/dbraw/zinc/50/53/10/546505310.db2.gz XCMWSEOUNVQZKM-IBGZPJMESA-N 2 0 374.529 2.410 10 0 FEAERP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NCCCN(C)c1ccccc1 ZINC000178303440 546772402 /nfs/dbraw/zinc/77/24/02/546772402.db2.gz WJOASTVIQUUBMP-HXUWFJFHSA-N 2 0 369.513 2.299 10 0 FEAERP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178751079 546843303 /nfs/dbraw/zinc/84/33/03/546843303.db2.gz DTSLIZIVPOMDMY-LJQANCHMSA-N 2 0 356.470 2.119 10 0 FEAERP CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180621347 547143843 /nfs/dbraw/zinc/14/38/43/547143843.db2.gz IVDZZXAZWNVRHD-WBVHZDCISA-N 2 0 357.502 2.447 10 0 FEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195222912 548598534 /nfs/dbraw/zinc/59/85/34/548598534.db2.gz FKRODCWZQBDSIE-LJQANCHMSA-N 2 0 371.529 2.449 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000247053525 549273703 /nfs/dbraw/zinc/27/37/03/549273703.db2.gz IJQYLXBBWOEJFW-PKOBYXMFSA-N 2 0 366.550 2.002 10 0 FEAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247063447 549274959 /nfs/dbraw/zinc/27/49/59/549274959.db2.gz XOEQKVRDTDRSLG-NHCUHLMSSA-N 2 0 373.541 2.423 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000247185504 549295795 /nfs/dbraw/zinc/29/57/95/549295795.db2.gz LCXRCEDBRDFZHD-PXNSSMCTSA-N 2 0 356.514 2.313 10 0 FEAERP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247809016 549382767 /nfs/dbraw/zinc/38/27/67/549382767.db2.gz UGRHBIDBWQSTCK-NTDBWNAOSA-N 2 0 353.551 2.094 10 0 FEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000251948238 549659212 /nfs/dbraw/zinc/65/92/12/549659212.db2.gz ULTFHNIDPZWAFR-RTBURBONSA-N 2 0 371.529 2.029 10 0 FEAERP COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261741449 549749545 /nfs/dbraw/zinc/74/95/45/549749545.db2.gz PGDMWDJXAODBDQ-QUCCMNQESA-N 2 0 354.450 2.413 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261749005 549751934 /nfs/dbraw/zinc/75/19/34/549751934.db2.gz MOHZPGMWENTQQZ-SRCQZFHVSA-N 2 0 366.303 2.318 10 0 FEAERP COc1ccc([C@H](C)C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000261842402 549761593 /nfs/dbraw/zinc/76/15/93/549761593.db2.gz WJSCCKYHKUOWMH-OAHLLOKOSA-N 2 0 355.486 2.373 10 0 FEAERP CC(C)c1nc(CN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cs1 ZINC000072410013 670495756 /nfs/dbraw/zinc/49/57/56/670495756.db2.gz AJDZZVDYEHBJLF-OAHLLOKOSA-N 2 0 350.532 2.299 10 0 FEAERP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2Cl)CC1 ZINC000178878228 672396344 /nfs/dbraw/zinc/39/63/44/672396344.db2.gz DBVNPFAESVVWOU-CQSZACIVSA-N 2 0 350.894 2.420 10 0 FEAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183502222 672469939 /nfs/dbraw/zinc/46/99/39/672469939.db2.gz APSGGBSSRUOGSB-IAGOWNOFSA-N 2 0 354.539 2.002 10 0 FEAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183502201 672470068 /nfs/dbraw/zinc/47/00/68/672470068.db2.gz APSGGBSSRUOGSB-DLBZAZTESA-N 2 0 354.539 2.002 10 0 FEAERP [NH3+][C@H](C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000886084535 688200996 /nfs/dbraw/zinc/20/09/96/688200996.db2.gz GESBUJOEBARGHC-WBVHZDCISA-N 2 0 356.495 2.314 10 0 FEAERP [NH3+]CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccnc4ccccc34)CC[C@H]21 ZINC000072457551 541817137 /nfs/dbraw/zinc/81/71/37/541817137.db2.gz IVWWKQCTMSGFLJ-FXAWDEMLSA-N 2 0 352.482 2.397 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000247402114 549329267 /nfs/dbraw/zinc/32/92/67/549329267.db2.gz RESBDEHEFPRANH-RDTXWAMCSA-N 2 0 350.482 2.415 10 0 FEAERP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067725589 221277503 /nfs/dbraw/zinc/27/75/03/221277503.db2.gz RPQVLYHTXURZSY-QGZVFWFLSA-N 2 0 359.514 2.306 10 0 FEAERP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105244068 543166940 /nfs/dbraw/zinc/16/69/40/543166940.db2.gz IADJDGPALVGOJP-IBGZPJMESA-N 2 0 374.529 2.397 10 0 FEAERP C[N@@H+](CC(=O)NCC1CCC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000108867569 543306388 /nfs/dbraw/zinc/30/63/88/543306388.db2.gz RWOCGVJQBRHINB-OAQYLSRUSA-N 2 0 373.541 2.280 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)[NH+](C)C)c1 ZINC000113580457 543490889 /nfs/dbraw/zinc/49/08/89/543490889.db2.gz QDYDYASIHCWXSJ-WDYCEAGBSA-N 2 0 360.502 2.176 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)[C@H](C)C1 ZINC000115851573 543590647 /nfs/dbraw/zinc/59/06/47/543590647.db2.gz RKGKOTJMQKZZDM-QRVBRYPASA-N 2 0 366.550 2.003 10 0 FEAERP CC[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000117470487 543632679 /nfs/dbraw/zinc/63/26/79/543632679.db2.gz CNYJOWDFHXBZJU-KRWDZBQOSA-N 2 0 354.539 2.003 10 0 FEAERP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189898976 328174559 /nfs/dbraw/zinc/17/45/59/328174559.db2.gz WPVSGCBVUXGQCY-CRAIPNDOSA-N 2 0 372.469 2.227 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C[C@H]1CC ZINC000117036621 326048398 /nfs/dbraw/zinc/04/83/98/326048398.db2.gz NQGHDPAIIUIPKN-RTBURBONSA-N 2 0 368.566 2.251 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H]1CC ZINC000119024742 326119248 /nfs/dbraw/zinc/11/92/48/326119248.db2.gz ISEOFJWENCSBHW-ACBHZAAOSA-N 2 0 368.566 2.249 10 0 FEAERP CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000121908858 326375131 /nfs/dbraw/zinc/37/51/31/326375131.db2.gz ZATQOJWJTXFTHI-UFYCRDLUSA-N 2 0 374.529 2.012 10 0 FEAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171807361 327162629 /nfs/dbraw/zinc/16/26/29/327162629.db2.gz TULCCOPRSGYHHP-SFHVURJKSA-N 2 0 357.502 2.059 10 0 FEAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171807566 327162716 /nfs/dbraw/zinc/16/27/16/327162716.db2.gz MAELXODYFFZSSK-QGZVFWFLSA-N 2 0 357.502 2.140 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000171960660 327172862 /nfs/dbraw/zinc/17/28/62/327172862.db2.gz HSPPHXOONZKKHA-CYBMUJFWSA-N 2 0 356.308 2.369 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000172080463 327179711 /nfs/dbraw/zinc/17/97/11/327179711.db2.gz GMPLKBNRFVIVDD-GHTZIAJQSA-N 2 0 370.541 2.067 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000173745917 327280686 /nfs/dbraw/zinc/28/06/86/327280686.db2.gz HVBWHOCHEMFVRK-WOJBJXKFSA-N 2 0 371.529 2.314 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000156789953 545660730 /nfs/dbraw/zinc/66/07/30/545660730.db2.gz MPVWXSSMRUWYJK-HLIPFELVSA-N 2 0 358.530 2.461 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000176151891 546414607 /nfs/dbraw/zinc/41/46/07/546414607.db2.gz LILVOSCABSITBG-MJGOQNOKSA-N 2 0 362.518 2.424 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1CC ZINC000176612851 546467368 /nfs/dbraw/zinc/46/73/68/546467368.db2.gz IVMSJLFBLNUUBG-KURKYZTESA-N 2 0 354.539 2.002 10 0 FEAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1-n1cncn1 ZINC000179515203 546969312 /nfs/dbraw/zinc/96/93/12/546969312.db2.gz XUUDXFCHKDXNPV-KRWDZBQOSA-N 2 0 357.502 2.100 10 0 FEAERP CN1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548088 546975418 /nfs/dbraw/zinc/97/54/18/546975418.db2.gz JJGGPZXPBOCRHI-JLSDUUJJSA-N 2 0 364.440 2.200 10 0 FEAERP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCCO1 ZINC000183144873 547609835 /nfs/dbraw/zinc/60/98/35/547609835.db2.gz DVADCZFDRQADAU-MAUKXSAKSA-N 2 0 363.527 2.331 10 0 FEAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@H+](CC)C3)c2)CC1 ZINC000184910021 547898431 /nfs/dbraw/zinc/89/84/31/547898431.db2.gz HLGOAQVYEFGLFF-SFHVURJKSA-N 2 0 359.518 2.434 10 0 FEAERP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000187053949 548247692 /nfs/dbraw/zinc/24/76/92/548247692.db2.gz ZNOBBPZIVGYBBX-FQEVSTJZSA-N 2 0 374.529 2.063 10 0 FEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000245469277 548930099 /nfs/dbraw/zinc/93/00/99/548930099.db2.gz LREXUHZKGINITQ-OALUTQOASA-N 2 0 366.550 2.144 10 0 FEAERP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246696804 549191045 /nfs/dbraw/zinc/19/10/45/549191045.db2.gz AROAXUWFEJQGOE-UXHICEINSA-N 2 0 356.514 2.041 10 0 FEAERP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247809022 549382930 /nfs/dbraw/zinc/38/29/30/549382930.db2.gz UGRHBIDBWQSTCK-SFNKJDCFSA-N 2 0 353.551 2.094 10 0 FEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000248629620 549471467 /nfs/dbraw/zinc/47/14/67/549471467.db2.gz WAVGIFGLJCSKGV-UYAOXDASSA-N 2 0 359.514 2.186 10 0 FEAERP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)c2)CC1 ZINC000261874599 549765029 /nfs/dbraw/zinc/76/50/29/549765029.db2.gz DPEFXSZBYABXLA-VSKRKVRLSA-N 2 0 373.541 2.460 10 0 FEAERP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261938514 549771994 /nfs/dbraw/zinc/77/19/94/549771994.db2.gz MPBMSLMPKKPKSZ-XUVXKRRUSA-N 2 0 357.498 2.056 10 0 FEAERP O=C(CC[N@H+]1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1)N1CC[NH2+]CC1 ZINC000262152240 549793320 /nfs/dbraw/zinc/79/33/20/549793320.db2.gz PHCAGZPFRRILOF-SFHVURJKSA-N 2 0 371.460 2.175 10 0 FEAERP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC(F)(F)CN2)C[N@@H+]1Cc1ccccc1 ZINC000262695560 549840324 /nfs/dbraw/zinc/84/03/24/549840324.db2.gz BDTWYVVEWCRNFU-OIISXLGYSA-N 2 0 351.441 2.401 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000130028866 672069558 /nfs/dbraw/zinc/06/95/58/672069558.db2.gz XXBKJDXTJGSQMI-INIZCTEOSA-N 2 0 355.523 2.070 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000183441797 672468415 /nfs/dbraw/zinc/46/84/15/672468415.db2.gz ILQTUKMNLGAJIT-DLBZAZTESA-N 2 0 355.523 2.212 10 0 FEAERP O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328625110 210114212 /nfs/dbraw/zinc/11/42/12/210114212.db2.gz CSZOERSHWLLDGQ-HZPDHXFCSA-N 2 0 365.568 2.314 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)[NH+](C)C)c1 ZINC000247411614 549330494 /nfs/dbraw/zinc/33/04/94/549330494.db2.gz QDYDYASIHCWXSJ-AYBZRNKSSA-N 2 0 360.502 2.176 10 0 FEAERP Cc1ccc2cc(C[NH+]3CCC4(CC3)C[N@@H+](C)CCN4C)c(=O)[nH]c2c1 ZINC000067674607 221267760 /nfs/dbraw/zinc/26/77/60/221267760.db2.gz VUKPUUJJWXSVOB-UHFFFAOYSA-N 2 0 354.498 2.048 10 0 FEAERP C[N@@H+](CC(=O)NC(C)(C)C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128125 543206017 /nfs/dbraw/zinc/20/60/17/543206017.db2.gz DPIGSIZUKHDRPY-IBGZPJMESA-N 2 0 361.530 2.279 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000106125354 543204802 /nfs/dbraw/zinc/20/48/02/543204802.db2.gz XSLFWHSLVXQHPU-ZWKOTPCHSA-N 2 0 373.541 2.379 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000106124992 543204846 /nfs/dbraw/zinc/20/48/46/543204846.db2.gz SPTVJESGLKNMGR-VZDIDWBNSA-N 2 0 353.551 2.094 10 0 FEAERP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000131414800 544189449 /nfs/dbraw/zinc/18/94/49/544189449.db2.gz RIKXBFRCORFJHW-QGZVFWFLSA-N 2 0 374.510 2.266 10 0 FEAERP Cc1c(CCC[NH+]2CCN(C)CC2)cc(Cl)cc1N1CC[NH2+]CC1 ZINC000150277163 544461710 /nfs/dbraw/zinc/46/17/10/544461710.db2.gz VUXMSFJFJYGLMZ-UHFFFAOYSA-N 2 0 350.938 2.238 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000189428034 328147629 /nfs/dbraw/zinc/14/76/29/328147629.db2.gz BRKZNPBVWNAJOD-GOSISDBHSA-N 2 0 360.502 2.067 10 0 FEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000190915549 328240018 /nfs/dbraw/zinc/24/00/18/328240018.db2.gz OGEPESRBBLFLFG-ZJRDLVKKSA-N 2 0 352.519 2.279 10 0 FEAERP CCN(CC)C(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112550025 325790288 /nfs/dbraw/zinc/79/02/88/325790288.db2.gz AQWHIPFPBQEPQZ-FXAWDEMLSA-N 2 0 361.530 2.279 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000121145870 326316625 /nfs/dbraw/zinc/31/66/25/326316625.db2.gz TYEFPKDTQXDGOE-MRXNPFEDSA-N 2 0 357.502 2.007 10 0 FEAERP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171905502 327169331 /nfs/dbraw/zinc/16/93/31/327169331.db2.gz QGSMYJPEVDVVRH-DLBZAZTESA-N 2 0 362.543 2.450 10 0 FEAERP [NH3+][C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000262661959 328879390 /nfs/dbraw/zinc/87/93/90/328879390.db2.gz GPLMMPUIFUFCPF-NHCUHLMSSA-N 2 0 367.493 2.248 10 0 FEAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1-n1cncn1 ZINC000179515188 546970151 /nfs/dbraw/zinc/97/01/51/546970151.db2.gz XUUDXFCHKDXNPV-QGZVFWFLSA-N 2 0 357.502 2.100 10 0 FEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179751923 547007651 /nfs/dbraw/zinc/00/76/51/547007651.db2.gz KXRMYHPZYFUABS-IBGZPJMESA-N 2 0 359.518 2.424 10 0 FEAERP C[NH+](C)[C@@H](CNC(=O)CN1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000184960416 547906966 /nfs/dbraw/zinc/90/69/66/547906966.db2.gz DHBXUNKLKLXMRY-IBGZPJMESA-N 2 0 355.486 2.008 10 0 FEAERP CCC[C@@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000245639920 548963440 /nfs/dbraw/zinc/96/34/40/548963440.db2.gz AUBSNJJPWDWORO-PMACEKPBSA-N 2 0 360.546 2.212 10 0 FEAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CN(C)CCO1 ZINC000246509188 549149607 /nfs/dbraw/zinc/14/96/07/549149607.db2.gz UPTIYLNEASQJSA-XLIONFOSSA-N 2 0 374.529 2.191 10 0 FEAERP CCCN1Cc2cccc(NC(=O)C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)c2C1 ZINC000246550368 549159862 /nfs/dbraw/zinc/15/98/62/549159862.db2.gz WAFQFQBIAMQLQN-BEFAXECRSA-N 2 0 372.513 2.196 10 0 FEAERP CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000246721768 549196531 /nfs/dbraw/zinc/19/65/31/549196531.db2.gz GELOIEIDKLAZPF-JKSUJKDBSA-N 2 0 368.547 2.149 10 0 FEAERP Cc1ccc(N2CC[C@H]([N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)C2=O)cc1 ZINC000246776347 549209090 /nfs/dbraw/zinc/20/90/90/549209090.db2.gz OJKKRFNSBNXRRS-PXNSSMCTSA-N 2 0 359.514 2.125 10 0 FEAERP CC[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000248484256 549449458 /nfs/dbraw/zinc/44/94/58/549449458.db2.gz JXNPIKGQOOJLHN-OALUTQOASA-N 2 0 368.566 2.129 10 0 FEAERP CN(C)C(=O)COc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261632661 549737466 /nfs/dbraw/zinc/73/74/66/549737466.db2.gz FOTLVWGQAJTNKH-UXHICEINSA-N 2 0 367.493 2.328 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261749001 549751504 /nfs/dbraw/zinc/75/15/04/549751504.db2.gz MOHZPGMWENTQQZ-ISTRZQFTSA-N 2 0 366.303 2.318 10 0 FEAERP CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000653448417 677531497 /nfs/dbraw/zinc/53/14/97/677531497.db2.gz RVJJLRLLDRNWAR-ARFHVFGLSA-N 2 0 355.404 2.117 10 0 FEAERP COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000106125614 543204840 /nfs/dbraw/zinc/20/48/40/543204840.db2.gz QXOAMAGMMFZALZ-CVEARBPZSA-N 2 0 363.502 2.047 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000113607048 543492829 /nfs/dbraw/zinc/49/28/29/543492829.db2.gz DALKTWVRUWDLNO-FUHWJXTLSA-N 2 0 360.502 2.005 10 0 FEAERP C[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccc([S@](C)=O)cc1 ZINC000151793674 544580157 /nfs/dbraw/zinc/58/01/57/544580157.db2.gz CYHLBFXAFKKYIF-SKNUGPPASA-N 2 0 372.534 2.494 10 0 FEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000152405952 544649056 /nfs/dbraw/zinc/64/90/56/544649056.db2.gz CHWIZYQSTCMYDD-QGZVFWFLSA-N 2 0 350.507 2.473 10 0 FEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000190694988 328225650 /nfs/dbraw/zinc/22/56/50/328225650.db2.gz ULTFHNIDPZWAFR-OALUTQOASA-N 2 0 371.529 2.029 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000121167176 326318652 /nfs/dbraw/zinc/31/86/52/326318652.db2.gz HQSGLGHDHKIFNU-JLSDUUJJSA-N 2 0 350.482 2.456 10 0 FEAERP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c(C)c2)CC1 ZINC000171806954 327162787 /nfs/dbraw/zinc/16/27/87/327162787.db2.gz PSFQMQDMRRVGSN-IBGZPJMESA-N 2 0 371.529 2.449 10 0 FEAERP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)CC1 ZINC000173748826 327281148 /nfs/dbraw/zinc/28/11/48/327281148.db2.gz WMHQCBJMDPYULK-FQEVSTJZSA-N 2 0 356.514 2.139 10 0 FEAERP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247567633 549359900 /nfs/dbraw/zinc/35/99/00/549359900.db2.gz GUSGBMIIHABZFG-JENIJYKNSA-N 2 0 353.551 2.191 10 0 FEAERP CCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247600529 549364735 /nfs/dbraw/zinc/36/47/35/549364735.db2.gz KYMJPRJSFHINQG-FXAWDEMLSA-N 2 0 361.530 2.279 10 0 FEAERP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)CCCC2)CC1 ZINC000261886633 549765609 /nfs/dbraw/zinc/76/56/09/549765609.db2.gz FYXOLDNNEWCIRX-ZCNNSNEGSA-N 2 0 365.562 2.157 10 0 FEAERP COC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000262284581 549806437 /nfs/dbraw/zinc/80/64/37/549806437.db2.gz MERADKUDPURUIU-MRXNPFEDSA-N 2 0 374.312 2.392 10 0 FEAERP CN1CC[NH2+]C[C@H]1c1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000263228046 549887307 /nfs/dbraw/zinc/88/73/07/549887307.db2.gz NAOLIWSPUJQPLH-RDJZCZTQSA-N 2 0 359.449 2.164 10 0 FEAERP C[C@@H](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000653123778 677516683 /nfs/dbraw/zinc/51/66/83/677516683.db2.gz HMLFTCZNYMARJO-NUEKZKHPSA-N 2 0 357.420 2.411 10 0 FEAERP [NH3+][C@@H](C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000853244937 682397850 /nfs/dbraw/zinc/39/78/50/682397850.db2.gz GESBUJOEBARGHC-DOTOQJQBSA-N 2 0 356.495 2.314 10 0 FEAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3CN(C)CCO3)cc2)C1 ZINC000104787348 543143702 /nfs/dbraw/zinc/14/37/02/543143702.db2.gz SLDMGCILWWBPQY-FXAWDEMLSA-N 2 0 374.529 2.048 10 0 FEAERP CCN(CC)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128120 543205807 /nfs/dbraw/zinc/20/58/07/543205807.db2.gz RPNYZNHFEMLXHT-FQEVSTJZSA-N 2 0 361.530 2.232 10 0 FEAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000117040263 543621998 /nfs/dbraw/zinc/62/19/98/543621998.db2.gz KOGCAFGKXDQRDK-WOJBJXKFSA-N 2 0 374.529 2.013 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187682590 328039450 /nfs/dbraw/zinc/03/94/50/328039450.db2.gz DXOIAWGJRQKARN-CVEARBPZSA-N 2 0 368.543 2.176 10 0 FEAERP C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-n2ccnc2)c1 ZINC000189895268 328174779 /nfs/dbraw/zinc/17/47/79/328174779.db2.gz DTOUQIWCLUCPEY-KSSFIOAISA-N 2 0 350.426 2.062 10 0 FEAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000192785757 328339572 /nfs/dbraw/zinc/33/95/72/328339572.db2.gz ACQMMZYNMLWASL-QGZVFWFLSA-N 2 0 367.559 2.157 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000081292967 325168598 /nfs/dbraw/zinc/16/85/98/325168598.db2.gz MZIVUFCLEHKAAS-LJQANCHMSA-N 2 0 360.546 2.291 10 0 FEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000121821588 326370067 /nfs/dbraw/zinc/37/00/67/326370067.db2.gz BHNHJPPEDBNUIG-LMMKCTJWSA-N 2 0 358.530 2.489 10 0 FEAERP CC1CC[NH+](C2CCC(NC(=O)N3CCO[C@@H](C[NH+](C)C)C3)CC2)CC1 ZINC000152743318 326715440 /nfs/dbraw/zinc/71/54/40/326715440.db2.gz IWJBPRCGPDZFIX-ACBHZAAOSA-N 2 0 366.550 2.002 10 0 FEAERP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900333 327168700 /nfs/dbraw/zinc/16/87/00/327168700.db2.gz DSALQISPHNPPHK-HXUWFJFHSA-N 2 0 356.514 2.183 10 0 FEAERP C[C@]([NH3+])(C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Br)cc1 ZINC000261765317 328817969 /nfs/dbraw/zinc/81/79/69/328817969.db2.gz JYAZMWDICVKDIY-XJKSGUPXSA-N 2 0 354.292 2.209 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000157828890 545789578 /nfs/dbraw/zinc/78/95/78/545789578.db2.gz HNCDPSJEBJRHGR-APWZRJJASA-N 2 0 362.518 2.155 10 0 FEAERP CC[N@H+](C)[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000176861856 546497320 /nfs/dbraw/zinc/49/73/20/546497320.db2.gz DAZAREUENWBZKR-XLIONFOSSA-N 2 0 361.530 2.231 10 0 FEAERP COc1cc(OC)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(OC)c1 ZINC000179517143 546970077 /nfs/dbraw/zinc/97/00/77/546970077.db2.gz JBWAYXAGZPTMOJ-HNNXBMFYSA-N 2 0 366.502 2.237 10 0 FEAERP CC[C@H]1CN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000182688717 547534555 /nfs/dbraw/zinc/53/45/55/547534555.db2.gz PLWXHUQNXDPSSN-MSOLQXFVSA-N 2 0 354.539 2.003 10 0 FEAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186437356 548135446 /nfs/dbraw/zinc/13/54/46/548135446.db2.gz UJOJURBWQOQWBS-ZWKOTPCHSA-N 2 0 363.502 2.086 10 0 FEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000194156846 548443245 /nfs/dbraw/zinc/44/32/45/548443245.db2.gz XOTBERAMUMAOOU-SFHVURJKSA-N 2 0 360.502 2.067 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1CC ZINC000246964698 549253269 /nfs/dbraw/zinc/25/32/69/549253269.db2.gz IVMSJLFBLNUUBG-FGTMMUONSA-N 2 0 354.539 2.002 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000247029373 549269004 /nfs/dbraw/zinc/26/90/04/549269004.db2.gz HQSGLGHDHKIFNU-OLMNPRSZSA-N 2 0 350.482 2.456 10 0 FEAERP CC[C@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247807305 549381916 /nfs/dbraw/zinc/38/19/16/549381916.db2.gz SYSHJKURENFJSE-FXAWDEMLSA-N 2 0 361.530 2.279 10 0 FEAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C12CCOCC2 ZINC000249054381 549543211 /nfs/dbraw/zinc/54/32/11/549543211.db2.gz XHSQQFZMKKDHAV-QHAWAJNXSA-N 2 0 374.525 2.317 10 0 FEAERP c1cc(CN2CC[NH+]3CCC[C@@H]3C2)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252692195 549676675 /nfs/dbraw/zinc/67/66/75/549676675.db2.gz RHCGKEHUIMLOBR-SZPZYZBQSA-N 2 0 354.542 2.247 10 0 FEAERP COc1cccc(CN(C)C(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261606876 549733808 /nfs/dbraw/zinc/73/38/08/549733808.db2.gz BIDTUNCEKVVABM-CTNGQTDRSA-N 2 0 367.493 2.328 10 0 FEAERP Cc1cc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261746714 549750570 /nfs/dbraw/zinc/75/05/70/549750570.db2.gz SRULHKFASUPFQH-WHOFXGATSA-N 2 0 352.276 2.365 10 0 FEAERP Cc1cc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261746710 549750826 /nfs/dbraw/zinc/75/08/26/549750826.db2.gz SRULHKFASUPFQH-LNSITVRQSA-N 2 0 352.276 2.365 10 0 FEAERP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000261903307 549767876 /nfs/dbraw/zinc/76/78/76/549767876.db2.gz HXTYGLVSBSOOSU-XJNFMUPTSA-N 2 0 350.894 2.060 10 0 FEAERP C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cn2)C[C@@H](C)O1 ZINC000261900586 549768011 /nfs/dbraw/zinc/76/80/11/549768011.db2.gz HQSYQRNQFCIXPB-FDMITFGQSA-N 2 0 360.502 2.264 10 0 FEAERP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000130028203 672069462 /nfs/dbraw/zinc/06/94/62/672069462.db2.gz ZSIVIOGWNKIWCC-IAGOWNOFSA-N 2 0 355.523 2.070 10 0 FEAERP OC[C@@H]1C[N@H+](Cc2cc(Br)ccc2F)CC12CC[NH2+]CC2 ZINC000169783920 672322464 /nfs/dbraw/zinc/32/24/64/672322464.db2.gz SKUJXEZTQLMHME-ZDUSSCGKSA-N 2 0 357.267 2.382 10 0 FEAERP [NH3+][C@@H](C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000853244939 682397925 /nfs/dbraw/zinc/39/79/25/682397925.db2.gz GESBUJOEBARGHC-NVXWUHKLSA-N 2 0 356.495 2.314 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000079168251 542504970 /nfs/dbraw/zinc/50/49/70/542504970.db2.gz FEOCMBRWUCGWDL-LJQANCHMSA-N 2 0 361.534 2.322 10 0 FEAERP OC[C@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067724049 221276905 /nfs/dbraw/zinc/27/69/05/221276905.db2.gz GNVRKIXFMUUNSU-QGZVFWFLSA-N 2 0 367.497 2.048 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)[NH+](C)C)c1 ZINC000113580455 543490928 /nfs/dbraw/zinc/49/09/28/543490928.db2.gz QDYDYASIHCWXSJ-SUMDDJOVSA-N 2 0 360.502 2.176 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1CC ZINC000117046078 543621839 /nfs/dbraw/zinc/62/18/39/543621839.db2.gz BKEQHJYJTMECMR-RBUKOAKNSA-N 2 0 368.566 2.249 10 0 FEAERP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000117040261 543622049 /nfs/dbraw/zinc/62/20/49/543622049.db2.gz KOGCAFGKXDQRDK-PMACEKPBSA-N 2 0 374.529 2.013 10 0 FEAERP CC[NH+]1CCC(NS(=O)(=O)c2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000098178629 222230640 /nfs/dbraw/zinc/23/06/40/222230640.db2.gz OTCNUFASPFIJJI-UHFFFAOYSA-N 2 0 365.543 2.481 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000189428009 328147513 /nfs/dbraw/zinc/14/75/13/328147513.db2.gz BRKZNPBVWNAJOD-SFHVURJKSA-N 2 0 360.502 2.067 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000121298517 326327958 /nfs/dbraw/zinc/32/79/58/326327958.db2.gz UYFVPONQXJKIKF-UTKZUKDTSA-N 2 0 373.541 2.349 10 0 FEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000122049562 326382122 /nfs/dbraw/zinc/38/21/22/326382122.db2.gz AKGBWVZNADARFW-NJYVYQBISA-N 2 0 373.541 2.043 10 0 FEAERP CC[C@H](O)C[NH+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000123560549 326435697 /nfs/dbraw/zinc/43/56/97/326435697.db2.gz LRNWFTQQKMOFTL-NRFANRHFSA-N 2 0 374.573 2.106 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCC2)c1 ZINC000170863271 327103598 /nfs/dbraw/zinc/10/35/98/327103598.db2.gz OJJZZZTWZBPQKI-MJGOQNOKSA-N 2 0 360.502 2.178 10 0 FEAERP CC[C@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000170942107 327108928 /nfs/dbraw/zinc/10/89/28/327108928.db2.gz SYSHJKURENFJSE-PXNSSMCTSA-N 2 0 361.530 2.279 10 0 FEAERP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000175191292 327378988 /nfs/dbraw/zinc/37/89/88/327378988.db2.gz BIQWNHPVQVBNCT-XLIONFOSSA-N 2 0 361.530 2.277 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176226944 327442033 /nfs/dbraw/zinc/44/20/33/327442033.db2.gz JIFSADWJNBBNIO-GOSISDBHSA-N 2 0 356.555 2.151 10 0 FEAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262048440 328838170 /nfs/dbraw/zinc/83/81/70/328838170.db2.gz ZIWDIYDVGRHTFR-YPAWHYETSA-N 2 0 373.541 2.408 10 0 FEAERP CC[NH+](CC)CCOc1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cc1 ZINC000263129317 328918168 /nfs/dbraw/zinc/91/81/68/328918168.db2.gz BLSQMFQWFFZJIP-KRWDZBQOSA-N 2 0 359.474 2.033 10 0 FEAERP CCc1oc(C(=O)OC)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000177133384 546552091 /nfs/dbraw/zinc/55/20/91/546552091.db2.gz NWVACGXZWPPOAP-CQSZACIVSA-N 2 0 352.475 2.153 10 0 FEAERP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000184844217 547886408 /nfs/dbraw/zinc/88/64/08/547886408.db2.gz LRGSICZVGZGPGB-IPMKNSEASA-N 2 0 368.566 2.128 10 0 FEAERP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247019158 549266977 /nfs/dbraw/zinc/26/69/77/549266977.db2.gz LSEXLIGOHVMKOW-ROUUACIJSA-N 2 0 359.470 2.495 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000247138913 549290055 /nfs/dbraw/zinc/29/00/55/549290055.db2.gz XQEZHVRXPZTXHT-HUUCEWRRSA-N 2 0 359.474 2.217 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)[C@@H](C)C1 ZINC000247169939 549293556 /nfs/dbraw/zinc/29/35/56/549293556.db2.gz JNTGDXQFATVCIL-VJANTYMQSA-N 2 0 366.550 2.002 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000247333621 549320728 /nfs/dbraw/zinc/32/07/28/549320728.db2.gz XBRLOWKOCLSTJN-GUDVDZBRSA-N 2 0 368.566 2.030 10 0 FEAERP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000131106066 672084092 /nfs/dbraw/zinc/08/40/92/672084092.db2.gz HXCOZMWRHNCYJC-QGZVFWFLSA-N 2 0 355.523 2.070 10 0 FEAERP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2Cl)CC1 ZINC000178878240 672396482 /nfs/dbraw/zinc/39/64/82/672396482.db2.gz DBVNPFAESVVWOU-AWEZNQCLSA-N 2 0 350.894 2.420 10 0 FEAERP COc1cccc([C@H](CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)[NH+](C)C)c1 ZINC000247411616 549329823 /nfs/dbraw/zinc/32/98/23/549329823.db2.gz QDYDYASIHCWXSJ-IEZWGBDMSA-N 2 0 360.502 2.176 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccon1)CC1CC[NH+](CCOC)CC1 ZINC000020999828 220348018 /nfs/dbraw/zinc/34/80/18/220348018.db2.gz AXECRNWGQBXZON-HXUWFJFHSA-N 2 0 364.534 2.319 10 0 FEAERP OC[C@@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067724051 221276233 /nfs/dbraw/zinc/27/62/33/221276233.db2.gz GNVRKIXFMUUNSU-KRWDZBQOSA-N 2 0 367.497 2.048 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000247471081 549339228 /nfs/dbraw/zinc/33/92/28/549339228.db2.gz RRDHBEPNCBCPAA-NVXWUHKLSA-N 2 0 370.921 2.104 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117025994 543621523 /nfs/dbraw/zinc/62/15/23/543621523.db2.gz ORJPXLQDLYWGES-OALUTQOASA-N 2 0 362.518 2.042 10 0 FEAERP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000117025997 543622042 /nfs/dbraw/zinc/62/20/42/543622042.db2.gz ORJPXLQDLYWGES-RBUKOAKNSA-N 2 0 362.518 2.042 10 0 FEAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000191003409 328244857 /nfs/dbraw/zinc/24/48/57/328244857.db2.gz RPWBIPGISBFWMV-XBPCWFMRSA-N 2 0 364.530 2.420 10 0 FEAERP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000117028074 326047523 /nfs/dbraw/zinc/04/75/23/326047523.db2.gz SEQCIJNRNRLDBK-HXUWFJFHSA-N 2 0 374.529 2.145 10 0 FEAERP CC[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1CCOC ZINC000117482911 326062570 /nfs/dbraw/zinc/06/25/70/326062570.db2.gz NORPHYSAXIAYLO-KRWDZBQOSA-N 2 0 354.539 2.002 10 0 FEAERP COCC[N@@H+]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000120823719 326291109 /nfs/dbraw/zinc/29/11/09/326291109.db2.gz RMKZHYIDRPKPRJ-IBGZPJMESA-N 2 0 374.573 2.370 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(OC)c1 ZINC000170827388 327101133 /nfs/dbraw/zinc/10/11/33/327101133.db2.gz KYVWIGOAJNBCOD-HKUYNNGSSA-N 2 0 362.518 2.424 10 0 FEAERP CN(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000172159571 327184773 /nfs/dbraw/zinc/18/47/73/327184773.db2.gz VTVYCDVCGPPYEP-CZUORRHYSA-N 2 0 352.429 2.057 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000174645116 327341219 /nfs/dbraw/zinc/34/12/19/327341219.db2.gz ILTSYXDYLHXMIY-LJQANCHMSA-N 2 0 358.530 2.108 10 0 FEAERP Cn1cc([C@H]2CC[N@H+](CCCC[NH+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000158414403 545857253 /nfs/dbraw/zinc/85/72/53/545857253.db2.gz LPAKCHZRANQZAH-HDICACEKSA-N 2 0 356.518 2.213 10 0 FEAERP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000183162489 547613917 /nfs/dbraw/zinc/61/39/17/547613917.db2.gz IBROTSUDSYEZDB-UWVAXJGDSA-N 2 0 359.514 2.313 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000246441317 549133278 /nfs/dbraw/zinc/13/32/78/549133278.db2.gz UCXCYGHMAKHRMK-VAMGGRTRSA-N 2 0 358.530 2.428 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000246441325 549134260 /nfs/dbraw/zinc/13/42/60/549134260.db2.gz UCXCYGHMAKHRMK-ZCNNSNEGSA-N 2 0 358.530 2.428 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCN2CCc3sccc3C2)C1 ZINC000246862429 549230061 /nfs/dbraw/zinc/23/00/61/549230061.db2.gz FPYGXGSJTRWHOM-GOEBONIOSA-N 2 0 350.532 2.134 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)C[C@H]1CC ZINC000247260351 549308854 /nfs/dbraw/zinc/30/88/54/549308854.db2.gz YKBGDKPNBYZTIZ-QZTJIDSGSA-N 2 0 354.539 2.003 10 0 FEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000251948235 549659257 /nfs/dbraw/zinc/65/92/57/549659257.db2.gz ULTFHNIDPZWAFR-MOPGFXCFSA-N 2 0 371.529 2.029 10 0 FEAERP CN(Cc1cscn1)Cc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261940843 549772166 /nfs/dbraw/zinc/77/21/66/549772166.db2.gz XIFVUKGPNBWEHL-UHFFFAOYSA-N 2 0 360.483 2.222 10 0 FEAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)C2)cc1 ZINC000261992571 549777911 /nfs/dbraw/zinc/77/79/11/549777911.db2.gz SXIFOMMUWZALCP-MBDNFAEBSA-N 2 0 357.542 2.298 10 0 FEAERP COc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1Br ZINC000038052067 220848633 /nfs/dbraw/zinc/84/86/33/220848633.db2.gz BDXHEGXGWGOKBP-OAHLLOKOSA-N 2 0 356.308 2.484 10 0 FEAERP C[N@@H+](CC(=O)N1CCCCC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128337 543205935 /nfs/dbraw/zinc/20/59/35/543205935.db2.gz OFPFATFAYIZLNQ-NRFANRHFSA-N 2 0 373.541 2.376 10 0 FEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000150778459 544469542 /nfs/dbraw/zinc/46/95/42/544469542.db2.gz KZRVHIUUIMCLNZ-QFBILLFUSA-N 2 0 374.529 2.312 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000189471823 328150182 /nfs/dbraw/zinc/15/01/82/328150182.db2.gz NGAZUVHKGPAPSV-LPHOPBHVSA-N 2 0 374.529 2.312 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000191131250 328251166 /nfs/dbraw/zinc/25/11/66/328251166.db2.gz PFJHYHZIQYUUPS-GOSISDBHSA-N 2 0 362.518 2.253 10 0 FEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000119470230 326166127 /nfs/dbraw/zinc/16/61/27/326166127.db2.gz JLCIHRJUBWUXII-OAQYLSRUSA-N 2 0 372.557 2.284 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000120835028 326292039 /nfs/dbraw/zinc/29/20/39/326292039.db2.gz RESBDEHEFPRANH-KDOFPFPSSA-N 2 0 350.482 2.415 10 0 FEAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000171048350 327114444 /nfs/dbraw/zinc/11/44/44/327114444.db2.gz VCRKARVYACEQPH-LJQANCHMSA-N 2 0 373.545 2.214 10 0 FEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171674450 327154261 /nfs/dbraw/zinc/15/42/61/327154261.db2.gz ZUXQCECBVHDJEI-NRFANRHFSA-N 2 0 366.509 2.335 10 0 FEAERP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900334 327168613 /nfs/dbraw/zinc/16/86/13/327168613.db2.gz DSALQISPHNPPHK-FQEVSTJZSA-N 2 0 356.514 2.183 10 0 FEAERP CCC(CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000156988605 545685495 /nfs/dbraw/zinc/68/54/95/545685495.db2.gz MSZVQPVGPJEUGE-UHOSZYNNSA-N 2 0 368.566 2.151 10 0 FEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176629546 546470131 /nfs/dbraw/zinc/47/01/31/546470131.db2.gz WNDBRJDUUYMHRP-GOSISDBHSA-N 2 0 354.539 2.002 10 0 FEAERP c1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000183150199 547609860 /nfs/dbraw/zinc/60/98/60/547609860.db2.gz YYIZJBVCOGJZGD-NMLBUPMWSA-N 2 0 351.498 2.483 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000194169862 548443954 /nfs/dbraw/zinc/44/39/54/548443954.db2.gz UPOMCEUSIHIDMK-SFHVURJKSA-N 2 0 350.482 2.383 10 0 FEAERP COC(=O)c1oc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000245616922 548958671 /nfs/dbraw/zinc/95/86/71/548958671.db2.gz MUKHOHHCRXVSAO-LSDHHAIUSA-N 2 0 352.475 2.460 10 0 FEAERP Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245687898 548975550 /nfs/dbraw/zinc/97/55/50/548975550.db2.gz OAGMLEANVHEZQF-RHSMWYFYSA-N 2 0 361.490 2.077 10 0 FEAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000246797818 549215823 /nfs/dbraw/zinc/21/58/23/549215823.db2.gz AWAVEDPJYUPQLL-INMHGKMJSA-N 2 0 350.532 2.477 10 0 FEAERP CC[C@@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247807307 549382134 /nfs/dbraw/zinc/38/21/34/549382134.db2.gz SYSHJKURENFJSE-YLJYHZDGSA-N 2 0 361.530 2.279 10 0 FEAERP CC[C@@H]1CN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000248493693 549450151 /nfs/dbraw/zinc/45/01/51/549450151.db2.gz PLWXHUQNXDPSSN-ZWKOTPCHSA-N 2 0 354.539 2.003 10 0 FEAERP COc1ccccc1CNC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261892055 549766982 /nfs/dbraw/zinc/76/69/82/549766982.db2.gz ZUYZEAPYFGNRMB-AHRSYUTCSA-N 2 0 367.493 2.374 10 0 FEAERP CC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000072317310 541799318 /nfs/dbraw/zinc/79/93/18/541799318.db2.gz HDDYBPBBORAKQQ-KRWDZBQOSA-N 2 0 351.516 2.091 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000106126514 543204695 /nfs/dbraw/zinc/20/46/95/543204695.db2.gz OIKZUCHGFHPRKG-SJORKVTESA-N 2 0 353.551 2.096 10 0 FEAERP Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000106125720 543204914 /nfs/dbraw/zinc/20/49/14/543204914.db2.gz ILDVCOIPRHEGJR-MSOLQXFVSA-N 2 0 361.530 2.024 10 0 FEAERP CC(C)CNC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112549985 543451296 /nfs/dbraw/zinc/45/12/96/543451296.db2.gz GTEFEUNLFWHUIE-XLIONFOSSA-N 2 0 361.530 2.182 10 0 FEAERP C[NH+](CCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCCC1 ZINC000190708161 328226542 /nfs/dbraw/zinc/22/65/42/328226542.db2.gz JXFJKLVEOZQQGE-IBGZPJMESA-N 2 0 373.545 2.419 10 0 FEAERP CC(C)CNC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112549990 325790439 /nfs/dbraw/zinc/79/04/39/325790439.db2.gz GTEFEUNLFWHUIE-FXAWDEMLSA-N 2 0 361.530 2.182 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1CC ZINC000117036622 326048010 /nfs/dbraw/zinc/04/80/10/326048010.db2.gz NQGHDPAIIUIPKN-MOPGFXCFSA-N 2 0 368.566 2.251 10 0 FEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000118881478 326110107 /nfs/dbraw/zinc/11/01/07/326110107.db2.gz FUKKSBWIEFCKLA-FQEVSTJZSA-N 2 0 360.546 2.140 10 0 FEAERP Cc1ccc(N2CC[C@@H]([N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)C2=O)cc1 ZINC000119184545 326135429 /nfs/dbraw/zinc/13/54/29/326135429.db2.gz OJKKRFNSBNXRRS-YLJYHZDGSA-N 2 0 359.514 2.125 10 0 FEAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000170844819 327102179 /nfs/dbraw/zinc/10/21/79/327102179.db2.gz WJJHPJHLMUAXSN-APWZRJJASA-N 2 0 372.513 2.020 10 0 FEAERP CC[C@@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000170942104 327108872 /nfs/dbraw/zinc/10/88/72/327108872.db2.gz SYSHJKURENFJSE-XLIONFOSSA-N 2 0 361.530 2.279 10 0 FEAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171674456 327154202 /nfs/dbraw/zinc/15/42/02/327154202.db2.gz ZUXQCECBVHDJEI-OAQYLSRUSA-N 2 0 366.509 2.335 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173997793 327300457 /nfs/dbraw/zinc/30/04/57/327300457.db2.gz FBINPICSCMGWCM-GOSISDBHSA-N 2 0 368.566 2.249 10 0 FEAERP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)nc2)CC1 ZINC000262036067 328837192 /nfs/dbraw/zinc/83/71/92/328837192.db2.gz XYGYJKCPXOZPIO-VAMGGRTRSA-N 2 0 373.545 2.181 10 0 FEAERP CC[NH+](CC)[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccco1 ZINC000262696345 328881708 /nfs/dbraw/zinc/88/17/08/328881708.db2.gz BDYXIBCSHRFMOP-RDJZCZTQSA-N 2 0 359.474 2.214 10 0 FEAERP COC(=O)c1ccc(F)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000181925640 547406269 /nfs/dbraw/zinc/40/62/69/547406269.db2.gz KCUDIXZVVDYVSL-CQSZACIVSA-N 2 0 352.450 2.137 10 0 FEAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C12CCOCC2 ZINC000186499226 548144573 /nfs/dbraw/zinc/14/45/73/548144573.db2.gz XHSQQFZMKKDHAV-PCCBWWKXSA-N 2 0 374.525 2.317 10 0 FEAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000194142243 548441054 /nfs/dbraw/zinc/44/10/54/548441054.db2.gz ZXXCMZCHFXKDPV-FQEVSTJZSA-N 2 0 358.530 2.477 10 0 FEAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+]2CC)[C@@H](C)C1 ZINC000245428874 548916702 /nfs/dbraw/zinc/91/67/02/548916702.db2.gz XTAREDKFGZPTCA-OTWHNJEPSA-N 2 0 368.566 2.249 10 0 FEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000245658661 548968307 /nfs/dbraw/zinc/96/83/07/548968307.db2.gz CWJMPYYDMBBGGK-UXHICEINSA-N 2 0 371.529 2.314 10 0 FEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000246779122 549210340 /nfs/dbraw/zinc/21/03/40/549210340.db2.gz BDUCJJOBULNFSR-FPOVZHCZSA-N 2 0 370.541 2.284 10 0 FEAERP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C[C@H](C)O ZINC000246919729 549242442 /nfs/dbraw/zinc/24/24/42/549242442.db2.gz QNWKMQZWVQKJRB-SESVDKBCSA-N 2 0 373.541 2.202 10 0 FEAERP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247138921 549290671 /nfs/dbraw/zinc/29/06/71/549290671.db2.gz XQEZHVRXPZTXHT-LSDHHAIUSA-N 2 0 359.474 2.217 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000247577368 549361156 /nfs/dbraw/zinc/36/11/56/549361156.db2.gz HYJLBVRAJWGLER-OXQOHEQNSA-N 2 0 359.514 2.031 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248717855 549489398 /nfs/dbraw/zinc/48/93/98/549489398.db2.gz FMPSZBQBCHONJA-MISYRCLQSA-N 2 0 356.514 2.387 10 0 FEAERP CCN(C(=O)NC[C@H](C)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249274651 549575408 /nfs/dbraw/zinc/57/54/08/549575408.db2.gz CMHWQBLEHFPDKW-AZUAARDMSA-N 2 0 374.529 2.013 10 0 FEAERP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249296656 549577980 /nfs/dbraw/zinc/57/79/80/549577980.db2.gz MOAMDYOCQVFJBR-WOJBJXKFSA-N 2 0 369.513 2.075 10 0 FEAERP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(N3CCOCC3)s2)C[C@H]1c1ccccc1 ZINC000261747099 549750840 /nfs/dbraw/zinc/75/08/40/549750840.db2.gz PUDRKZMRLXDQFH-AEFFLSMTSA-N 2 0 358.511 2.154 10 0 FEAERP COc1ccc(-n2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000261954452 549773850 /nfs/dbraw/zinc/77/38/50/549773850.db2.gz OUFWNOWWJCAESM-ZCNNSNEGSA-N 2 0 356.470 2.128 10 0 FEAERP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261982495 549777079 /nfs/dbraw/zinc/77/70/79/549777079.db2.gz ROGOCDBXIWHROK-JKSUJKDBSA-N 2 0 351.516 2.219 10 0 FEAERP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[C@H]1O ZINC000072163481 541793189 /nfs/dbraw/zinc/79/31/89/541793189.db2.gz NKIYQXPIOVRZQJ-UXHICEINSA-N 2 0 352.434 2.323 10 0 FEAERP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067725587 221278208 /nfs/dbraw/zinc/27/82/08/221278208.db2.gz RPQVLYHTXURZSY-KRWDZBQOSA-N 2 0 359.514 2.306 10 0 FEAERP CC(C)CNC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128137 543205979 /nfs/dbraw/zinc/20/59/79/543205979.db2.gz AWMZNULSBPEYQM-FQEVSTJZSA-N 2 0 361.530 2.136 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000106126248 543204625 /nfs/dbraw/zinc/20/46/25/543204625.db2.gz GZNPRMRBPZVQQG-CQSZACIVSA-N 2 0 360.454 2.023 10 0 FEAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000106459133 543231071 /nfs/dbraw/zinc/23/10/71/543231071.db2.gz LNXMWDYFCWKTRF-NRFANRHFSA-N 2 0 366.509 2.335 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000113589089 543491291 /nfs/dbraw/zinc/49/12/91/543491291.db2.gz NHKUNCHTTIRYHT-SJLPKXTDSA-N 2 0 360.502 2.005 10 0 FEAERP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000131415035 544189152 /nfs/dbraw/zinc/18/91/52/544189152.db2.gz RIKXBFRCORFJHW-KRWDZBQOSA-N 2 0 374.510 2.266 10 0 FEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000152364467 544643631 /nfs/dbraw/zinc/64/36/31/544643631.db2.gz MCACLAKCJMSXAO-HXUWFJFHSA-N 2 0 373.545 2.466 10 0 FEAERP CC[N@H+](CC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1)C1CC1 ZINC000153326120 544761613 /nfs/dbraw/zinc/76/16/13/544761613.db2.gz DYDFACBFRVKYFA-ZBFHGGJFSA-N 2 0 351.516 2.110 10 0 FEAERP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000189471802 328150202 /nfs/dbraw/zinc/15/02/02/328150202.db2.gz NGAZUVHKGPAPSV-QFBILLFUSA-N 2 0 374.529 2.312 10 0 FEAERP CC[NH+](CC)CCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190678916 328224134 /nfs/dbraw/zinc/22/41/34/328224134.db2.gz NGTCOYXRBONDPE-INIZCTEOSA-N 2 0 367.563 2.257 10 0 FEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190692769 328225058 /nfs/dbraw/zinc/22/50/58/328225058.db2.gz WYWNCCZSUGKLOH-QUCCMNQESA-N 2 0 373.545 2.419 10 0 FEAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191904403 328287927 /nfs/dbraw/zinc/28/79/27/328287927.db2.gz SSCRNWXJEDKWMQ-KRWDZBQOSA-N 2 0 367.534 2.125 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091232626 325382060 /nfs/dbraw/zinc/38/20/60/325382060.db2.gz PPAHLGKPFOITAH-VQIMIIECSA-N 2 0 357.502 2.176 10 0 FEAERP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000091712122 325390988 /nfs/dbraw/zinc/39/09/88/325390988.db2.gz HWGNAJMZECWEIE-QZTJIDSGSA-N 2 0 366.550 2.051 10 0 FEAERP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106908117 325615317 /nfs/dbraw/zinc/61/53/17/325615317.db2.gz DQPLZMYLEJCETD-OAQYLSRUSA-N 2 0 369.509 2.416 10 0 FEAERP NC(=O)[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000112549924 325789333 /nfs/dbraw/zinc/78/93/33/325789333.db2.gz POEQDBJYMWLKBZ-SFTDATJTSA-N 2 0 367.493 2.248 10 0 FEAERP CCC[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000161904899 327012084 /nfs/dbraw/zinc/01/20/84/327012084.db2.gz OKKARFSMYOHIOG-FUHWJXTLSA-N 2 0 360.502 2.053 10 0 FEAERP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170829345 327101035 /nfs/dbraw/zinc/10/10/35/327101035.db2.gz DIXXTTOCTZJHBG-GOSISDBHSA-N 2 0 362.518 2.253 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cncc(Br)c2)CC1 ZINC000170941752 327108900 /nfs/dbraw/zinc/10/89/00/327108900.db2.gz CBJFHPHPFVMLQN-ZDUSSCGKSA-N 2 0 356.308 2.369 10 0 FEAERP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171905461 327169269 /nfs/dbraw/zinc/16/92/69/327169269.db2.gz WWGTVMPXYFBIFZ-KRWDZBQOSA-N 2 0 362.543 2.450 10 0 FEAERP C[C@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+]1CCCCCC1 ZINC000173577237 327268120 /nfs/dbraw/zinc/26/81/20/327268120.db2.gz PBHVSURZQDXGNU-GOSISDBHSA-N 2 0 373.545 2.056 10 0 FEAERP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000170862937 546180449 /nfs/dbraw/zinc/18/04/49/546180449.db2.gz OTZSPHGLTHKXMB-WMZOPIPTSA-N 2 0 360.502 2.178 10 0 FEAERP CCN1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668765 547154084 /nfs/dbraw/zinc/15/40/84/547154084.db2.gz LKSIFEWSXYJTNI-DLBZAZTESA-N 2 0 355.486 2.076 10 0 FEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000194156865 548443531 /nfs/dbraw/zinc/44/35/31/548443531.db2.gz XOTBERAMUMAOOU-GOSISDBHSA-N 2 0 360.502 2.067 10 0 FEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000247871816 549387359 /nfs/dbraw/zinc/38/73/59/549387359.db2.gz XSLFWHSLVXQHPU-ROUUACIJSA-N 2 0 373.541 2.379 10 0 FEAERP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000252032643 549662207 /nfs/dbraw/zinc/66/22/07/549662207.db2.gz ZVGAEGZFXSYVKV-UFYCRDLUSA-N 2 0 373.545 2.418 10 0 FEAERP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000252032646 549662456 /nfs/dbraw/zinc/66/24/56/549662456.db2.gz ZVGAEGZFXSYVKV-ZCNNSNEGSA-N 2 0 373.545 2.418 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2CCCCCCC2)CC1 ZINC000106126221 670808804 /nfs/dbraw/zinc/80/88/04/670808804.db2.gz ISJVHBSRRXYCKU-QGZVFWFLSA-N 2 0 353.551 2.240 10 0 FEAERP O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328625111 223120266 /nfs/dbraw/zinc/12/02/66/223120266.db2.gz CSZOERSHWLLDGQ-JKSUJKDBSA-N 2 0 365.568 2.314 10 0 FEAERP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000247375480 549326203 /nfs/dbraw/zinc/32/62/03/549326203.db2.gz OGKQLCLQWKAQLN-HKUYNNGSSA-N 2 0 371.481 2.402 10 0 FEAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000247402103 549329060 /nfs/dbraw/zinc/32/90/60/549329060.db2.gz RESBDEHEFPRANH-KBXCAEBGSA-N 2 0 350.482 2.415 10 0 FEAERP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105205425 543164269 /nfs/dbraw/zinc/16/42/69/543164269.db2.gz FWZBRUSAFVNHFM-SFHVURJKSA-N 2 0 360.502 2.007 10 0 FEAERP NC(=O)[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000112549926 543451202 /nfs/dbraw/zinc/45/12/02/543451202.db2.gz POEQDBJYMWLKBZ-NHCUHLMSSA-N 2 0 367.493 2.248 10 0 FEAERP CCCCNC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112550001 543451563 /nfs/dbraw/zinc/45/15/63/543451563.db2.gz UCCVCMVKCAWRCC-PXNSSMCTSA-N 2 0 361.530 2.326 10 0 FEAERP C[NH+](C)C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000128581488 544060944 /nfs/dbraw/zinc/06/09/44/544060944.db2.gz VXCNHHKSXGRZOL-LJQANCHMSA-N 2 0 359.514 2.441 10 0 FEAERP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCCO1 ZINC000183144856 327803772 /nfs/dbraw/zinc/80/37/72/327803772.db2.gz DVADCZFDRQADAU-QAPCUYQASA-N 2 0 363.527 2.331 10 0 FEAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nnnn1C1CC1 ZINC000190576824 328217258 /nfs/dbraw/zinc/21/72/58/328217258.db2.gz AKWDCMIVOKWAEV-BEFAXECRSA-N 2 0 370.501 2.104 10 0 FEAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190705898 328226296 /nfs/dbraw/zinc/22/62/96/328226296.db2.gz VKLIAPVYPFOYCT-IEBWSBKVSA-N 2 0 361.534 2.275 10 0 FEAERP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000192734751 328336040 /nfs/dbraw/zinc/33/60/40/328336040.db2.gz GQRNOAWLOLDZPY-UHFFFAOYSA-N 2 0 371.529 2.366 10 0 FEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000164119022 327064897 /nfs/dbraw/zinc/06/48/97/327064897.db2.gz LMDQMWPNYMACFQ-DYESRHJHSA-N 2 0 371.525 2.200 10 0 FEAERP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cc2)CC1 ZINC000173749295 327281061 /nfs/dbraw/zinc/28/10/61/327281061.db2.gz ZTUKICSSBPCZIX-PXNSSMCTSA-N 2 0 356.514 2.137 10 0 FEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000174290639 327317692 /nfs/dbraw/zinc/31/76/92/327317692.db2.gz SRJSBTYIQGQONQ-HXUWFJFHSA-N 2 0 360.546 2.140 10 0 FEAERP CCC[NH+]1CCC(N2C[C@H]([NH2+]CC3CCCCC3)C[C@H]2C(=O)NC)CC1 ZINC000020271904 519844509 /nfs/dbraw/zinc/84/45/09/519844509.db2.gz LYJKVPWRNPCPHT-QUCCMNQESA-N 2 0 364.578 2.220 10 0 FEAERP CN(C)CC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000020167839 521787350 /nfs/dbraw/zinc/78/73/50/521787350.db2.gz CBMJWMOUGXEZPE-NRFANRHFSA-N 2 0 371.525 2.210 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000157178337 545710384 /nfs/dbraw/zinc/71/03/84/545710384.db2.gz AZVIJUKOWOYGBG-XLIONFOSSA-N 2 0 358.530 2.463 10 0 FEAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000183090160 547599894 /nfs/dbraw/zinc/59/98/94/547599894.db2.gz WAVGIFGLJCSKGV-ICSRJNTNSA-N 2 0 359.514 2.186 10 0 FEAERP COc1ccc(-n2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000261954444 549773755 /nfs/dbraw/zinc/77/37/55/549773755.db2.gz OUFWNOWWJCAESM-AQNXPRMDSA-N 2 0 356.470 2.128 10 0 FEAERP C[C@H]([NH2+]CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)[C@H]1CCCO1 ZINC000183098572 672460145 /nfs/dbraw/zinc/46/01/45/672460145.db2.gz BGNABJIRIKYVDP-GOEBONIOSA-N 2 0 366.531 2.471 10 0 FEAERP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000183496347 672470172 /nfs/dbraw/zinc/47/01/72/672470172.db2.gz RADXBYVFCIZQCY-IRXDYDNUSA-N 2 0 354.539 2.002 10 0 FEAERP CN(CC[NH+](C)C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 ZINC000022926924 539702744 /nfs/dbraw/zinc/70/27/44/539702744.db2.gz PPDDXWRFNPNLKE-CMKODMSKSA-N 2 0 373.545 2.012 10 0 FEAERP COc1cc(C[NH2+]CCCSC)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012576319 220009396 /nfs/dbraw/zinc/00/93/96/220009396.db2.gz COBNBZQNQRGJHZ-QGZVFWFLSA-N 2 0 368.543 2.373 10 0 FEAERP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105113802 543159134 /nfs/dbraw/zinc/15/91/34/543159134.db2.gz LDGAWMDZJGKQMD-GOSISDBHSA-N 2 0 360.502 2.007 10 0 FEAERP CC(C)NC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127458 543204650 /nfs/dbraw/zinc/20/46/50/543204650.db2.gz SWXZXZKLMLJELN-FQEVSTJZSA-N 2 0 361.530 2.279 10 0 FEAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)NC(C)(C)C ZINC000112549953 543451510 /nfs/dbraw/zinc/45/15/10/543451510.db2.gz RTYVTSRNPUQRNU-QFBILLFUSA-N 2 0 361.530 2.325 10 0 FEAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000113596121 543492274 /nfs/dbraw/zinc/49/22/74/543492274.db2.gz CTOQFUQCGAAYQB-MBOZVWFJSA-N 2 0 356.514 2.311 10 0 FEAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000117052327 543622773 /nfs/dbraw/zinc/62/27/73/543622773.db2.gz VLEIBXMVDGGHEI-YLJYHZDGSA-N 2 0 374.529 2.184 10 0 FEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000122723870 543720128 /nfs/dbraw/zinc/72/01/28/543720128.db2.gz UDTOHUABIKXZKZ-QAPCUYQASA-N 2 0 350.482 2.285 10 0 FEAERP CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000131759498 544205132 /nfs/dbraw/zinc/20/51/32/544205132.db2.gz JTEDWXIKRMATJH-UXHICEINSA-N 2 0 361.530 2.231 10 0 FEAERP C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000151804880 544582473 /nfs/dbraw/zinc/58/24/73/544582473.db2.gz OYJPVNRCDZPAMW-GOSISDBHSA-N 2 0 366.550 2.005 10 0 FEAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000190499287 328211805 /nfs/dbraw/zinc/21/18/05/328211805.db2.gz FFISEDSZYNWODZ-WOJBJXKFSA-N 2 0 373.545 2.277 10 0 FEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190692711 328224944 /nfs/dbraw/zinc/22/49/44/328224944.db2.gz WYWNCCZSUGKLOH-AZUAARDMSA-N 2 0 373.545 2.419 10 0 FEAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000117030802 326048134 /nfs/dbraw/zinc/04/81/34/326048134.db2.gz ASPPCBMGBZUPQU-IBGZPJMESA-N 2 0 362.518 2.000 10 0 FEAERP CCOCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1CC ZINC000117036516 326048172 /nfs/dbraw/zinc/04/81/72/326048172.db2.gz LMQMYTDRJZJALK-GOSISDBHSA-N 2 0 368.566 2.392 10 0 FEAERP CCC[C@H](C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000161527065 327002069 /nfs/dbraw/zinc/00/20/69/327002069.db2.gz ODANGQBACWMNDV-HXUWFJFHSA-N 2 0 360.546 2.354 10 0 FEAERP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000170844386 327102293 /nfs/dbraw/zinc/10/22/93/327102293.db2.gz RZBSLNQVIQWVJV-IBGZPJMESA-N 2 0 372.513 2.020 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cncc(Br)c2)CC1 ZINC000170941753 327108854 /nfs/dbraw/zinc/10/88/54/327108854.db2.gz CBJFHPHPFVMLQN-CYBMUJFWSA-N 2 0 356.308 2.369 10 0 FEAERP C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000171083075 327116509 /nfs/dbraw/zinc/11/65/09/327116509.db2.gz CCOGKDGYRVGZFI-SFHVURJKSA-N 2 0 362.543 2.446 10 0 FEAERP O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171978554 327174050 /nfs/dbraw/zinc/17/40/50/327174050.db2.gz ILQVQYVIFFVZQR-KRWDZBQOSA-N 2 0 366.575 2.228 10 0 FEAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262941423 328901889 /nfs/dbraw/zinc/90/18/89/328901889.db2.gz IVWJWPXXROQQSI-SJBKTWHCSA-N 2 0 373.541 2.456 10 0 FEAERP CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000177465850 546624984 /nfs/dbraw/zinc/62/49/84/546624984.db2.gz KGFVYZKMAAIRJZ-OAQYLSRUSA-N 2 0 373.541 2.232 10 0 FEAERP CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668780 547154350 /nfs/dbraw/zinc/15/43/50/547154350.db2.gz LKSIFEWSXYJTNI-IRXDYDNUSA-N 2 0 355.486 2.076 10 0 FEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000186942689 548224990 /nfs/dbraw/zinc/22/49/90/548224990.db2.gz NPCQYCXIABGOHM-MRXNPFEDSA-N 2 0 359.514 2.120 10 0 FEAERP CN1CC[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000245747857 548987513 /nfs/dbraw/zinc/98/75/13/548987513.db2.gz ANFWQCUQWJMVQV-IXDOHACOSA-N 2 0 350.894 2.431 10 0 FEAERP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246965031 549253139 /nfs/dbraw/zinc/25/31/39/549253139.db2.gz BTGYIKPNDHSCOU-LSDHHAIUSA-N 2 0 351.466 2.177 10 0 FEAERP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cc2)CC1 ZINC000247259947 549308632 /nfs/dbraw/zinc/30/86/32/549308632.db2.gz ZTUKICSSBPCZIX-YLJYHZDGSA-N 2 0 356.514 2.137 10 0 FEAERP CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000247582268 549361949 /nfs/dbraw/zinc/36/19/49/549361949.db2.gz IOGQZIWXMTXSBQ-PBHICJAKSA-N 2 0 369.469 2.209 10 0 FEAERP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249208572 549569778 /nfs/dbraw/zinc/56/97/78/549569778.db2.gz CFNRDAZZCJNZHE-FHWLQOOXSA-N 2 0 351.535 2.209 10 0 FEAERP Cc1cc(Br)ccc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261768237 549753198 /nfs/dbraw/zinc/75/31/98/549753198.db2.gz VPBSPINWTZGUNO-YUTCNCBUSA-N 2 0 352.276 2.365 10 0 FEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)C1 ZINC000261777749 549754225 /nfs/dbraw/zinc/75/42/25/549754225.db2.gz HEHRDQOOIIYFAT-IAGOWNOFSA-N 2 0 359.514 2.289 10 0 FEAERP COC[C@H]([NH3+])C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000262314357 549809378 /nfs/dbraw/zinc/80/93/78/549809378.db2.gz DFFHINFVLXSYHI-FQEVSTJZSA-N 2 0 355.482 2.121 10 0 FEAERP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000183496364 672470052 /nfs/dbraw/zinc/47/00/52/672470052.db2.gz RADXBYVFCIZQCY-SJORKVTESA-N 2 0 354.539 2.002 10 0 FEAERP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000653122372 677516786 /nfs/dbraw/zinc/51/67/86/677516786.db2.gz VDCQNENXEWYNNZ-LCGIIJARSA-N 2 0 355.404 2.164 10 0 FEAERP