smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746194 203104878 /nfs/dbraw/zinc/10/48/78/203104878.db2.gz GMNGJWUSKFWADU-QGZVFWFLSA-N 2 1 345.491 0.833 10 0 ECAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117048592 221027910 /nfs/dbraw/zinc/02/79/10/221027910.db2.gz ZGGSCPRPHOMMES-CABCVRRESA-N 2 1 328.457 0.069 10 0 ECAEMP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000247646629 165166209 /nfs/dbraw/zinc/16/62/09/165166209.db2.gz VIMWDINLELVVRF-DLBZAZTESA-N 2 1 337.512 0.748 10 0 ECAEMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000247646629 165166215 /nfs/dbraw/zinc/16/62/15/165166215.db2.gz VIMWDINLELVVRF-DLBZAZTESA-N 2 1 337.512 0.748 10 0 ECAEMP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000247646629 165166220 /nfs/dbraw/zinc/16/62/20/165166220.db2.gz VIMWDINLELVVRF-DLBZAZTESA-N 2 1 337.512 0.748 10 0 ECAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000262397186 165344215 /nfs/dbraw/zinc/34/42/15/165344215.db2.gz YJXGFHXCDHQYEW-KGLIPLIRSA-N 2 1 327.494 0.841 10 0 ECAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000178322613 263154408 /nfs/dbraw/zinc/15/44/08/263154408.db2.gz WBLALECPQUIXMS-XJKSGUPXSA-N 2 1 347.463 0.768 10 0 ECAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000178322613 263154410 /nfs/dbraw/zinc/15/44/10/263154410.db2.gz WBLALECPQUIXMS-XJKSGUPXSA-N 2 1 347.463 0.768 10 0 ECAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000195275527 436684994 /nfs/dbraw/zinc/68/49/94/436684994.db2.gz KHEYYKMDHVMPRR-INIZCTEOSA-N 2 1 345.447 0.777 10 0 ECAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000195275527 436684997 /nfs/dbraw/zinc/68/49/97/436684997.db2.gz KHEYYKMDHVMPRR-INIZCTEOSA-N 2 1 345.447 0.777 10 0 ECAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000195275527 436685000 /nfs/dbraw/zinc/68/50/00/436685000.db2.gz KHEYYKMDHVMPRR-INIZCTEOSA-N 2 1 345.447 0.777 10 0 ECAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000195275527 436685001 /nfs/dbraw/zinc/68/50/01/436685001.db2.gz KHEYYKMDHVMPRR-INIZCTEOSA-N 2 1 345.447 0.777 10 0 ECAEMP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000163321808 436921787 /nfs/dbraw/zinc/92/17/87/436921787.db2.gz CGZVDLPPNMJMRV-HOTGVXAUSA-N 2 1 342.484 0.101 10 0 ECAEMP C[C@@H](CNC(=O)C1([NH3+])CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000261906693 436894051 /nfs/dbraw/zinc/89/40/51/436894051.db2.gz SHLWIPLEUMLMSS-INIZCTEOSA-N 2 1 346.475 0.821 10 0 ECAEMP O=C(CN1CC[N@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccco2)CC1 ZINC000170958631 436961921 /nfs/dbraw/zinc/96/19/21/436961921.db2.gz XKDPNGMVZGUHRL-MRXNPFEDSA-N 2 1 332.448 0.704 10 0 ECAEMP CC[C@H](C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000164200842 436931850 /nfs/dbraw/zinc/93/18/50/436931850.db2.gz HXQYOBQNDOXDLZ-DLBZAZTESA-N 2 1 340.512 0.580 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000341629840 437876416 /nfs/dbraw/zinc/87/64/16/437876416.db2.gz GDBXVCIEBSLJJU-RBSFLKMASA-N 2 1 326.485 0.956 10 0 ECAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000630696684 440942511 /nfs/dbraw/zinc/94/25/11/440942511.db2.gz JBOOFJUFVFMKCD-QWHCGFSZSA-N 2 1 347.419 0.225 10 0 ECAEMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261689621 165227289 /nfs/dbraw/zinc/22/72/89/165227289.db2.gz DAPMWDBBFUJCQM-OAHLLOKOSA-N 2 1 346.431 0.583 10 0 ECAEMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261689621 165227294 /nfs/dbraw/zinc/22/72/94/165227294.db2.gz DAPMWDBBFUJCQM-OAHLLOKOSA-N 2 1 346.431 0.583 10 0 ECAEMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2)C[C@H](C)O1 ZINC000262368209 165338611 /nfs/dbraw/zinc/33/86/11/165338611.db2.gz VVOBQIFJCYCMGJ-IHETXDGRSA-N 2 1 347.459 0.606 10 0 ECAEMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2)C[C@H](C)O1 ZINC000262368209 165338613 /nfs/dbraw/zinc/33/86/13/165338613.db2.gz VVOBQIFJCYCMGJ-IHETXDGRSA-N 2 1 347.459 0.606 10 0 ECAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000247527629 288308361 /nfs/dbraw/zinc/30/83/61/288308361.db2.gz XFTKFVVKPDYMHY-WBVHZDCISA-N 2 1 337.512 0.891 10 0 ECAEMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000247527629 288308362 /nfs/dbraw/zinc/30/83/62/288308362.db2.gz XFTKFVVKPDYMHY-WBVHZDCISA-N 2 1 337.512 0.891 10 0 ECAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000247527629 288308363 /nfs/dbraw/zinc/30/83/63/288308363.db2.gz XFTKFVVKPDYMHY-WBVHZDCISA-N 2 1 337.512 0.891 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000247527622 300318467 /nfs/dbraw/zinc/31/84/67/300318467.db2.gz XFTKFVVKPDYMHY-RDJZCZTQSA-N 2 1 337.512 0.891 10 0 ECAEMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000247527622 300318469 /nfs/dbraw/zinc/31/84/69/300318469.db2.gz XFTKFVVKPDYMHY-RDJZCZTQSA-N 2 1 337.512 0.891 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000247527622 300318472 /nfs/dbraw/zinc/31/84/72/300318472.db2.gz XFTKFVVKPDYMHY-RDJZCZTQSA-N 2 1 337.512 0.891 10 0 ECAEMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000246691748 436784692 /nfs/dbraw/zinc/78/46/92/436784692.db2.gz FDXLUTZVJFQMDO-NVXWUHKLSA-N 2 1 336.480 0.977 10 0 ECAEMP Cc1nnc([C@H]2CC3(C[N@@H+]2CCCO)CC[NH+](CCCO)CC3)o1 ZINC000257189215 436857033 /nfs/dbraw/zinc/85/70/33/436857033.db2.gz HSDPAKGMVUWCDX-OAHLLOKOSA-N 2 1 338.452 0.972 10 0 ECAEMP Cc1nnc([C@H]2CC3(C[N@H+]2CCCO)CC[NH+](CCCO)CC3)o1 ZINC000257189215 436857036 /nfs/dbraw/zinc/85/70/36/436857036.db2.gz HSDPAKGMVUWCDX-OAHLLOKOSA-N 2 1 338.452 0.972 10 0 ECAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000177362029 437180294 /nfs/dbraw/zinc/18/02/94/437180294.db2.gz JQFHNMMUKUCAQZ-OAHLLOKOSA-N 2 1 339.484 0.323 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000177362029 437180297 /nfs/dbraw/zinc/18/02/97/437180297.db2.gz JQFHNMMUKUCAQZ-OAHLLOKOSA-N 2 1 339.484 0.323 10 0 ECAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000178336202 437211815 /nfs/dbraw/zinc/21/18/15/437211815.db2.gz AAZMGDRKBNUPAE-XJKSGUPXSA-N 2 1 347.463 0.781 10 0 ECAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000178336202 437211824 /nfs/dbraw/zinc/21/18/24/437211824.db2.gz AAZMGDRKBNUPAE-XJKSGUPXSA-N 2 1 347.463 0.781 10 0 ECAEMP Cc1noc([C@@H]2CC(=O)N(C3C[NH+](CC4CC[NH+](C)CC4)C3)C2)n1 ZINC000895887920 586210965 /nfs/dbraw/zinc/21/09/65/586210965.db2.gz CHGUVBFCLQPOTD-CQSZACIVSA-N 2 1 333.436 0.720 10 0 ECAEMP COCC[NH+]1CCN(CCN2CC[N@H+](CCOC)[C@@H](C)C2)C[C@@H]1C ZINC000246840919 285049340 /nfs/dbraw/zinc/04/93/40/285049340.db2.gz YRYIPTXGXCWWAT-ROUUACIJSA-N 2 1 342.528 0.291 10 0 ECAEMP CCOCC[N@@H+]1CCN(C(=O)C2(C[NH3+])CCOCC2)C[C@H]1CC ZINC000262214033 165310534 /nfs/dbraw/zinc/31/05/34/165310534.db2.gz IZGVQSVWQAOJIJ-OAHLLOKOSA-N 2 1 327.469 0.701 10 0 ECAEMP CCOCC[N@H+]1CCN(C(=O)C2(C[NH3+])CCOCC2)C[C@H]1CC ZINC000262214033 165310539 /nfs/dbraw/zinc/31/05/39/165310539.db2.gz IZGVQSVWQAOJIJ-OAHLLOKOSA-N 2 1 327.469 0.701 10 0 ECAEMP COCC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000114456646 436641518 /nfs/dbraw/zinc/64/15/18/436641518.db2.gz GVSLPVPUOKGVES-INIZCTEOSA-N 2 1 340.512 0.628 10 0 ECAEMP COCC[N@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000114456646 436641519 /nfs/dbraw/zinc/64/15/19/436641519.db2.gz GVSLPVPUOKGVES-INIZCTEOSA-N 2 1 340.512 0.628 10 0 ECAEMP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000163321930 436921592 /nfs/dbraw/zinc/92/15/92/436921592.db2.gz CGZVDLPPNMJMRV-CVEARBPZSA-N 2 1 342.484 0.101 10 0 ECAEMP COCC[N@H+](C)CCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175682923 437112380 /nfs/dbraw/zinc/11/23/80/437112380.db2.gz MSKAKRMFRSDBMU-JKSUJKDBSA-N 2 1 342.484 0.317 10 0 ECAEMP COCC[N@@H+](C)CCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175682923 437112388 /nfs/dbraw/zinc/11/23/88/437112388.db2.gz MSKAKRMFRSDBMU-JKSUJKDBSA-N 2 1 342.484 0.317 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000181919153 437334102 /nfs/dbraw/zinc/33/41/02/437334102.db2.gz YGZXTNNTCYBJPK-PMPSAXMXSA-N 2 1 326.485 0.957 10 0 ECAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000630696682 440941791 /nfs/dbraw/zinc/94/17/91/440941791.db2.gz JBOOFJUFVFMKCD-CHWSQXEVSA-N 2 1 347.419 0.225 10 0 ECAEMP Cn1cnc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)c1 ZINC000169790911 609747000 /nfs/dbraw/zinc/74/70/00/609747000.db2.gz IVGMRUSQZYOVFZ-UKRRQHHQSA-N 2 1 335.452 0.191 10 0 ECAEMP Cn1cnc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2C[NH+](C)C)c1 ZINC000169790911 609747001 /nfs/dbraw/zinc/74/70/01/609747001.db2.gz IVGMRUSQZYOVFZ-UKRRQHHQSA-N 2 1 335.452 0.191 10 0 ECAEMP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(N(C)C)[nH+]c(C)c1C ZINC000091494649 612864860 /nfs/dbraw/zinc/86/48/60/612864860.db2.gz LPJXMLBEAZLTCV-KGLIPLIRSA-N 2 1 334.468 0.934 10 0 ECAEMP CC[NH+](CC)CC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105818511 201060095 /nfs/dbraw/zinc/06/00/95/201060095.db2.gz UIGIOFZXDTWHAS-KRWDZBQOSA-N 2 1 340.512 0.582 10 0 ECAEMP COCC[NH+]1CCN(CCN2CC[N@H+](CCOC)[C@H](C)C2)C[C@H]1C ZINC000114719656 285049160 /nfs/dbraw/zinc/04/91/60/285049160.db2.gz YRYIPTXGXCWWAT-QZTJIDSGSA-N 2 1 342.528 0.291 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)CC1=O ZINC000247468976 165164331 /nfs/dbraw/zinc/16/43/31/165164331.db2.gz GNSCVWFGPDHEFL-ZACQAIPSSA-N 2 1 348.491 0.626 10 0 ECAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000247468976 165164337 /nfs/dbraw/zinc/16/43/37/165164337.db2.gz GNSCVWFGPDHEFL-ZACQAIPSSA-N 2 1 348.491 0.626 10 0 ECAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000247468976 165164341 /nfs/dbraw/zinc/16/43/41/165164341.db2.gz GNSCVWFGPDHEFL-ZACQAIPSSA-N 2 1 348.491 0.626 10 0 ECAEMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1([NH3+])CCOCC1 ZINC000261840780 165251597 /nfs/dbraw/zinc/25/15/97/165251597.db2.gz LQPFSKKCIKBIHW-HNNXBMFYSA-N 2 1 347.463 0.216 10 0 ECAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261855482 165253151 /nfs/dbraw/zinc/25/31/51/165253151.db2.gz MSRQYKDSMLAMOM-IYBDPMFKSA-N 2 1 338.496 0.511 10 0 ECAEMP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000262207561 165309019 /nfs/dbraw/zinc/30/90/19/165309019.db2.gz IQHDMJSHHNWQDB-NXHRZFHOSA-N 2 1 345.491 0.913 10 0 ECAEMP [NH3+][C@H]1CN[C@H](C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)C1 ZINC000067820374 295342544 /nfs/dbraw/zinc/34/25/44/295342544.db2.gz HWTYKCTYOKCQCS-AEFFLSMTSA-N 2 1 328.460 0.377 10 0 ECAEMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)C1 ZINC000067820374 295342545 /nfs/dbraw/zinc/34/25/45/295342545.db2.gz HWTYKCTYOKCQCS-AEFFLSMTSA-N 2 1 328.460 0.377 10 0 ECAEMP N[C@H]1C[NH2+][C@H](C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)C1 ZINC000067820374 295342549 /nfs/dbraw/zinc/34/25/49/295342549.db2.gz HWTYKCTYOKCQCS-AEFFLSMTSA-N 2 1 328.460 0.377 10 0 ECAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093437538 436486889 /nfs/dbraw/zinc/48/68/89/436486889.db2.gz AEYSFMFIHUDTQA-DOTOQJQBSA-N 2 1 330.480 0.897 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093437538 436486893 /nfs/dbraw/zinc/48/68/93/436486893.db2.gz AEYSFMFIHUDTQA-DOTOQJQBSA-N 2 1 330.480 0.897 10 0 ECAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1(C)C ZINC000249069130 436816130 /nfs/dbraw/zinc/81/61/30/436816130.db2.gz KCJZFPZXRHKCFK-CFAJVAMVSA-N 2 1 327.469 0.432 10 0 ECAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)C1(C)C ZINC000249069130 436816131 /nfs/dbraw/zinc/81/61/31/436816131.db2.gz KCJZFPZXRHKCFK-CFAJVAMVSA-N 2 1 327.469 0.432 10 0 ECAEMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000249526666 436822523 /nfs/dbraw/zinc/82/25/23/436822523.db2.gz UOHYONYLJYJXSE-JKSUJKDBSA-N 2 1 326.485 0.864 10 0 ECAEMP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261876070 436893057 /nfs/dbraw/zinc/89/30/57/436893057.db2.gz XYDKJRUEFMMWKH-MSOLQXFVSA-N 2 1 344.459 0.351 10 0 ECAEMP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261876070 436893061 /nfs/dbraw/zinc/89/30/61/436893061.db2.gz XYDKJRUEFMMWKH-MSOLQXFVSA-N 2 1 344.459 0.351 10 0 ECAEMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175680242 437113854 /nfs/dbraw/zinc/11/38/54/437113854.db2.gz UHVAKSVSBBEEQM-VYDXJSESSA-N 2 1 336.480 0.833 10 0 ECAEMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000175680242 437113860 /nfs/dbraw/zinc/11/38/60/437113860.db2.gz 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ZINC000014747659 436077104 /nfs/dbraw/zinc/07/71/04/436077104.db2.gz QIBYLBVUKWUIBF-DLBZAZTESA-N 2 1 344.459 0.369 10 0 ECAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117048584 436655069 /nfs/dbraw/zinc/65/50/69/436655069.db2.gz ZGGSCPRPHOMMES-GJZGRUSLSA-N 2 1 328.457 0.069 10 0 ECAEMP O=C(CCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195333771 436688276 /nfs/dbraw/zinc/68/82/76/436688276.db2.gz ZVNUAVORGTYBJN-IAGOWNOFSA-N 2 1 348.491 0.770 10 0 ECAEMP CC[C@@H]1CN(C(=O)NCC[NH+](C)CCOC)CC[N@H+]1C[C@H](C)O ZINC000248431576 436801989 /nfs/dbraw/zinc/80/19/89/436801989.db2.gz BOVBDDBFWPGHIV-LSDHHAIUSA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@@H]1CN(C(=O)NCC[N@H+](C)CCOC)CC[NH+]1C[C@H](C)O ZINC000248431576 436801990 /nfs/dbraw/zinc/80/19/90/436801990.db2.gz BOVBDDBFWPGHIV-LSDHHAIUSA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@@H]1CN(C(=O)NCC[N@@H+](C)CCOC)CC[NH+]1C[C@H](C)O ZINC000248431576 436801993 /nfs/dbraw/zinc/80/19/93/436801993.db2.gz BOVBDDBFWPGHIV-LSDHHAIUSA-N 2 1 330.473 0.051 10 0 ECAEMP CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000170828181 436955092 /nfs/dbraw/zinc/95/50/92/436955092.db2.gz MCBLDLKWNYAYDN-CVEARBPZSA-N 2 1 325.501 0.604 10 0 ECAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000176206003 437134460 /nfs/dbraw/zinc/13/44/60/437134460.db2.gz CELWOLWEKXZGJD-OAHLLOKOSA-N 2 1 339.484 0.276 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000176206003 437134464 /nfs/dbraw/zinc/13/44/64/437134464.db2.gz CELWOLWEKXZGJD-OAHLLOKOSA-N 2 1 339.484 0.276 10 0 ECAEMP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000179295021 437257043 /nfs/dbraw/zinc/25/70/43/437257043.db2.gz XIKQDPYNVPENDL-QGZVFWFLSA-N 2 1 337.512 0.892 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000181744129 437329310 /nfs/dbraw/zinc/32/93/10/437329310.db2.gz ACIGMQGASCVEFZ-HOTGVXAUSA-N 2 1 326.485 0.959 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000181744129 437329311 /nfs/dbraw/zinc/32/93/11/437329311.db2.gz ACIGMQGASCVEFZ-HOTGVXAUSA-N 2 1 326.485 0.959 10 0 ECAEMP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000178756741 609008855 /nfs/dbraw/zinc/00/88/55/609008855.db2.gz ZYKUBOJBVGZVFW-SJORKVTESA-N 2 1 349.500 0.959 10 0 ECAEMP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC[C@H]1[NH3+] ZINC000261789505 165244048 /nfs/dbraw/zinc/24/40/48/165244048.db2.gz UTXUWKFDOIJOGT-OAHLLOKOSA-N 2 1 346.479 0.575 10 0 ECAEMP COC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000262431882 165348458 /nfs/dbraw/zinc/34/84/58/165348458.db2.gz TVUNPBJMPQQQOO-UONOGXRCSA-N 2 1 334.420 0.296 10 0 ECAEMP C[NH+]1CCC[C@H]1CNC(=O)CCCCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000105648151 436576473 /nfs/dbraw/zinc/57/64/73/436576473.db2.gz XABVDIHGOKIJNN-IYBDPMFKSA-N 2 1 338.496 0.968 10 0 ECAEMP C[NH+]1CCC[C@@H]1CNC(=O)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000105648151 436576479 /nfs/dbraw/zinc/57/64/79/436576479.db2.gz XABVDIHGOKIJNN-IYBDPMFKSA-N 2 1 338.496 0.968 10 0 ECAEMP C[NH+]1CCC[C@@H]1CNC(=O)CCCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000105648151 436576485 /nfs/dbraw/zinc/57/64/85/436576485.db2.gz XABVDIHGOKIJNN-IYBDPMFKSA-N 2 1 338.496 0.968 10 0 ECAEMP CCOC(=O)c1ccnc(C[NH2+]CC(=O)N(CC)CC[NH+](C)C)c1 ZINC000223547457 436706266 /nfs/dbraw/zinc/70/62/66/436706266.db2.gz WCILOMUUNVPIKQ-UHFFFAOYSA-N 2 1 336.436 0.758 10 0 ECAEMP CC[C@@H]1CN(C(=O)N[C@@H](C)CN2CCOCC2)CCN1C[C@@H](C)O ZINC000184837720 437414077 /nfs/dbraw/zinc/41/40/77/437414077.db2.gz IVGVWNOXKCCSJG-ARFHVFGLSA-N 2 1 342.484 0.194 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000184744904 320534844 /nfs/dbraw/zinc/53/48/44/320534844.db2.gz REYBIQGZUUXXQZ-INIZCTEOSA-N 2 1 326.485 0.961 10 0 ECAEMP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2OCC[NH+](C)C)[N@H+](C)C1 ZINC000344408112 321150340 /nfs/dbraw/zinc/15/03/40/321150340.db2.gz ULDYSTOCDIZGBG-HOTGVXAUSA-N 2 1 335.448 0.962 10 0 ECAEMP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2OCC[NH+](C)C)[N@@H+](C)C1 ZINC000344408112 321150341 /nfs/dbraw/zinc/15/03/41/321150341.db2.gz ULDYSTOCDIZGBG-HOTGVXAUSA-N 2 1 335.448 0.962 10 0 ECAEMP CC(C)[NH+]1CCN(CCC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000900842818 586669333 /nfs/dbraw/zinc/66/93/33/586669333.db2.gz AKRVLCYGHKWIKE-DLBZAZTESA-N 2 1 340.512 0.316 10 0 ECAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)C1(C)C ZINC000188187848 611618560 /nfs/dbraw/zinc/61/85/60/611618560.db2.gz IJXPUCNKDIQOFM-CPUCHLNUSA-N 2 1 327.469 0.698 10 0 ECAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)C1(C)C ZINC000188187848 611618564 /nfs/dbraw/zinc/61/85/64/611618564.db2.gz IJXPUCNKDIQOFM-CPUCHLNUSA-N 2 1 327.469 0.698 10 0 ECAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000246810992 165145462 /nfs/dbraw/zinc/14/54/62/165145462.db2.gz AAZMGDRKBNUPAE-CZUORRHYSA-N 2 1 347.463 0.781 10 0 ECAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000246810992 165145464 /nfs/dbraw/zinc/14/54/64/165145464.db2.gz AAZMGDRKBNUPAE-CZUORRHYSA-N 2 1 347.463 0.781 10 0 ECAEMP CN1CC[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261876555 165256264 /nfs/dbraw/zinc/25/62/64/165256264.db2.gz OQPZXQCAJGTDBE-UHFFFAOYSA-N 2 1 346.475 0.558 10 0 ECAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261911130 165262437 /nfs/dbraw/zinc/26/24/37/165262437.db2.gz XOZBGFLCUMVMSK-GUTXKFCHSA-N 2 1 327.469 0.744 10 0 ECAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261911130 165262442 /nfs/dbraw/zinc/26/24/42/165262442.db2.gz XOZBGFLCUMVMSK-GUTXKFCHSA-N 2 1 327.469 0.744 10 0 ECAEMP COCC[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H]1C ZINC000262371418 165340545 /nfs/dbraw/zinc/34/05/45/165340545.db2.gz WEZHQKNOHBUYID-HNNXBMFYSA-N 2 1 335.452 0.141 10 0 ECAEMP COCC[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@@H]1C ZINC000262371418 165340549 /nfs/dbraw/zinc/34/05/49/165340549.db2.gz WEZHQKNOHBUYID-HNNXBMFYSA-N 2 1 335.452 0.141 10 0 ECAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262310268 288292729 /nfs/dbraw/zinc/29/27/29/288292729.db2.gz QIPPAWCCMVIGTD-DZUCGIPZSA-N 2 1 331.464 0.808 10 0 ECAEMP O=C(C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000333332935 297125739 /nfs/dbraw/zinc/12/57/39/297125739.db2.gz RNPUXRSRKCTLDV-CYBMUJFWSA-N 2 1 332.452 0.727 10 0 ECAEMP Cc1nn(C)cc1CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000121025708 436704928 /nfs/dbraw/zinc/70/49/28/436704928.db2.gz VPWCZARJROGLDW-GOSISDBHSA-N 2 1 335.496 0.955 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246344216 436777065 /nfs/dbraw/zinc/77/70/65/436777065.db2.gz OPMOOHBWZBDGGP-JYYAWHABSA-N 2 1 336.480 0.974 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246344216 436777068 /nfs/dbraw/zinc/77/70/68/436777068.db2.gz OPMOOHBWZBDGGP-JYYAWHABSA-N 2 1 336.480 0.974 10 0 ECAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247074235 436788435 /nfs/dbraw/zinc/78/84/35/436788435.db2.gz IYZYGAGGTZEMRH-IXDOHACOSA-N 2 1 339.528 0.898 10 0 ECAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247074235 436788439 /nfs/dbraw/zinc/78/84/39/436788439.db2.gz IYZYGAGGTZEMRH-IXDOHACOSA-N 2 1 339.528 0.898 10 0 ECAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247074235 436788440 /nfs/dbraw/zinc/78/84/40/436788440.db2.gz IYZYGAGGTZEMRH-IXDOHACOSA-N 2 1 339.528 0.898 10 0 ECAEMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247168911 436789927 /nfs/dbraw/zinc/78/99/27/436789927.db2.gz MSXUGQVMVWGZPI-QWHCGFSZSA-N 2 1 328.457 0.245 10 0 ECAEMP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000170828174 436954399 /nfs/dbraw/zinc/95/43/99/436954399.db2.gz MCBLDLKWNYAYDN-JKSUJKDBSA-N 2 1 325.501 0.604 10 0 ECAEMP COCC[N@@H+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C[C@H]1C ZINC000173663538 437060732 /nfs/dbraw/zinc/06/07/32/437060732.db2.gz TWEGXAGHZLWTMA-NVXWUHKLSA-N 2 1 341.496 0.959 10 0 ECAEMP COCC[N@H+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C[C@H]1C ZINC000173663538 437060736 /nfs/dbraw/zinc/06/07/36/437060736.db2.gz TWEGXAGHZLWTMA-NVXWUHKLSA-N 2 1 341.496 0.959 10 0 ECAEMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C[C@H](O)CC)CC2)C1 ZINC000181181699 437313318 /nfs/dbraw/zinc/31/33/18/437313318.db2.gz JSSRMKHBZCLQAQ-JKSUJKDBSA-N 2 1 326.485 0.816 10 0 ECAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C[C@H](O)CC)CC2)C1 ZINC000181181699 437313319 /nfs/dbraw/zinc/31/33/19/437313319.db2.gz JSSRMKHBZCLQAQ-JKSUJKDBSA-N 2 1 326.485 0.816 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000181739082 437328049 /nfs/dbraw/zinc/32/80/49/437328049.db2.gz YBUYOQWZQICOLA-HOTGVXAUSA-N 2 1 342.484 0.195 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000181739082 437328051 /nfs/dbraw/zinc/32/80/51/437328051.db2.gz YBUYOQWZQICOLA-HOTGVXAUSA-N 2 1 342.484 0.195 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000184889602 437416714 /nfs/dbraw/zinc/41/67/14/437416714.db2.gz SSPAEGFQVJZKGG-KRWDZBQOSA-N 2 1 338.496 0.959 10 0 ECAEMP CCO[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C12CCOCC2 ZINC000186317645 437469931 /nfs/dbraw/zinc/46/99/31/437469931.db2.gz JPDSOYSZHMXXFX-JKSUJKDBSA-N 2 1 339.480 0.714 10 0 ECAEMP [NH3+]C1(CC(=O)N[C@@H]2CCNC2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000638402435 440525560 /nfs/dbraw/zinc/52/55/60/440525560.db2.gz MUQAJUDJJKOKPG-OAHLLOKOSA-N 2 1 330.432 0.375 10 0 ECAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117048588 285021985 /nfs/dbraw/zinc/02/19/85/285021985.db2.gz ZGGSCPRPHOMMES-HUUCEWRRSA-N 2 1 328.457 0.069 10 0 ECAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246508872 165138663 /nfs/dbraw/zinc/13/86/63/165138663.db2.gz SQNNXJJZFOTJOM-CVEARBPZSA-N 2 1 326.485 0.936 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261751103 165238189 /nfs/dbraw/zinc/23/81/89/165238189.db2.gz LVCQAIKNSMIKGE-GJZGRUSLSA-N 2 1 349.479 0.965 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261751103 165238197 /nfs/dbraw/zinc/23/81/97/165238197.db2.gz LVCQAIKNSMIKGE-GJZGRUSLSA-N 2 1 349.479 0.965 10 0 ECAEMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261926898 165263840 /nfs/dbraw/zinc/26/38/40/165263840.db2.gz VTCOFGXJACGJEL-BPUTZDHNSA-N 2 1 334.464 0.330 10 0 ECAEMP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000262229078 165312239 /nfs/dbraw/zinc/31/22/39/165312239.db2.gz KCPXRRSEOUQZNE-OIISXLGYSA-N 2 1 331.464 0.856 10 0 ECAEMP COc1c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)nn1C ZINC000262256368 165318265 /nfs/dbraw/zinc/31/82/65/165318265.db2.gz QOHQORZWCVROQI-GDBMZVCRSA-N 2 1 349.479 0.817 10 0 ECAEMP 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0 ECAEMP Cn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(=O)n(C)c1=O ZINC000261751218 165237306 /nfs/dbraw/zinc/23/73/06/165237306.db2.gz QEEIBEPMDCEBGA-ZBFHGGJFSA-N 2 1 328.416 0.258 10 0 ECAEMP NS(=O)(=O)c1ccc(OCC[N@H+]2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262471366 165353830 /nfs/dbraw/zinc/35/38/30/165353830.db2.gz JGWJJXXZGFZGRQ-KCPJHIHWSA-N 2 1 325.434 0.382 10 0 ECAEMP CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262048461 277495504 /nfs/dbraw/zinc/49/55/04/277495504.db2.gz ZJUSKUOIAGVJSZ-RRFJBIMHSA-N 2 1 331.482 0.157 10 0 ECAEMP C[N@H+](Cc1ccccc1-c1nc(C[NH3+])cc(=O)[nH]1)C[C@H]1COCCO1 ZINC000023541986 436127263 /nfs/dbraw/zinc/12/72/63/436127263.db2.gz NGRKYISZIYXYEO-HNNXBMFYSA-N 2 1 344.415 0.743 10 0 ECAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000247074218 436789031 /nfs/dbraw/zinc/78/90/31/436789031.db2.gz IYZYGAGGTZEMRH-BRWVUGGUSA-N 2 1 339.528 0.898 10 0 ECAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247074218 436789034 /nfs/dbraw/zinc/78/90/34/436789034.db2.gz IYZYGAGGTZEMRH-BRWVUGGUSA-N 2 1 339.528 0.898 10 0 ECAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247074218 436789036 /nfs/dbraw/zinc/78/90/36/436789036.db2.gz IYZYGAGGTZEMRH-BRWVUGGUSA-N 2 1 339.528 0.898 10 0 ECAEMP Cc1nnc([C@@H]2CC3(C[N@@H+]2CCCO)CC[NH+](CCCO)CC3)o1 ZINC000257189214 436856441 /nfs/dbraw/zinc/85/64/41/436856441.db2.gz HSDPAKGMVUWCDX-HNNXBMFYSA-N 2 1 338.452 0.972 10 0 ECAEMP Cc1nnc([C@@H]2CC3(C[N@H+]2CCCO)CC[NH+](CCCO)CC3)o1 ZINC000257189214 436856446 /nfs/dbraw/zinc/85/64/46/436856446.db2.gz HSDPAKGMVUWCDX-HNNXBMFYSA-N 2 1 338.452 0.972 10 0 ECAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000133759567 436883980 /nfs/dbraw/zinc/88/39/80/436883980.db2.gz RBYFSFYIKLSAAI-MSOLQXFVSA-N 2 1 347.459 0.676 10 0 ECAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000133759567 436883983 /nfs/dbraw/zinc/88/39/83/436883983.db2.gz RBYFSFYIKLSAAI-MSOLQXFVSA-N 2 1 347.459 0.676 10 0 ECAEMP CO[C@H]1C[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)[N@@H+](C)C1 ZINC000344047629 437722604 /nfs/dbraw/zinc/72/26/04/437722604.db2.gz BQORWCDLJGUMEZ-HOTGVXAUSA-N 2 1 325.453 0.276 10 0 ECAEMP NC(=O)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662920166 439942980 /nfs/dbraw/zinc/94/29/80/439942980.db2.gz RMFIOULXIWDNMZ-HZPDHXFCSA-N 2 1 344.459 0.608 10 0 ECAEMP NC(=O)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662920166 439942985 /nfs/dbraw/zinc/94/29/85/439942985.db2.gz RMFIOULXIWDNMZ-HZPDHXFCSA-N 2 1 344.459 0.608 10 0 ECAEMP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000178756732 609008879 /nfs/dbraw/zinc/00/88/79/609008879.db2.gz ZYKUBOJBVGZVFW-IAGOWNOFSA-N 2 1 349.500 0.959 10 0 ECAEMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000247021002 165150217 /nfs/dbraw/zinc/15/02/17/165150217.db2.gz PDXARIMRTWSOGZ-IRXDYDNUSA-N 2 1 337.512 0.750 10 0 ECAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247021002 165150224 /nfs/dbraw/zinc/15/02/24/165150224.db2.gz PDXARIMRTWSOGZ-IRXDYDNUSA-N 2 1 337.512 0.750 10 0 ECAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000247021002 165150230 /nfs/dbraw/zinc/15/02/30/165150230.db2.gz PDXARIMRTWSOGZ-IRXDYDNUSA-N 2 1 337.512 0.750 10 0 ECAEMP C[N@H+](CCN1CCN(Cc2noc(C[NH3+])n2)CC1)Cc1ccccc1 ZINC000261766383 165239455 /nfs/dbraw/zinc/23/94/55/165239455.db2.gz OMIJISSIAVYVCG-UHFFFAOYSA-N 2 1 344.463 0.778 10 0 ECAEMP C[N@@H+](CCN1CCN(Cc2noc(C[NH3+])n2)CC1)Cc1ccccc1 ZINC000261766383 165239458 /nfs/dbraw/zinc/23/94/58/165239458.db2.gz OMIJISSIAVYVCG-UHFFFAOYSA-N 2 1 344.463 0.778 10 0 ECAEMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)C3C[NH2+]C3)c2)C1 ZINC000262157526 165301950 /nfs/dbraw/zinc/30/19/50/165301950.db2.gz ARXCNNJDBPFESY-HNNXBMFYSA-N 2 1 330.432 0.220 10 0 ECAEMP CCOCC[N@@H+]1CCN(C(=O)C2(C[NH3+])CCOCC2)C[C@@H]1CC ZINC000262214030 165310849 /nfs/dbraw/zinc/31/08/49/165310849.db2.gz IZGVQSVWQAOJIJ-HNNXBMFYSA-N 2 1 327.469 0.701 10 0 ECAEMP CCOCC[N@H+]1CCN(C(=O)C2(C[NH3+])CCOCC2)C[C@@H]1CC ZINC000262214030 165310853 /nfs/dbraw/zinc/31/08/53/165310853.db2.gz IZGVQSVWQAOJIJ-HNNXBMFYSA-N 2 1 327.469 0.701 10 0 ECAEMP C(CN1CCC(C2=[NH+]CCN2)CC1)C[NH+]1CCC(C2=[NH+]CCN2)CC1 ZINC000005847382 435993504 /nfs/dbraw/zinc/99/35/04/435993504.db2.gz GMPAVAQLPAUNDU-UHFFFAOYSA-N 3 1 346.523 0.804 10 0 ECAEMP CCS(=O)(=O)NCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000132593645 436868116 /nfs/dbraw/zinc/86/81/16/436868116.db2.gz RXTZWYUAVZGQFC-CQSZACIVSA-N 2 1 335.514 0.340 10 0 ECAEMP Cc1cc(N2CCC(NC(=O)[C@@H]([NH3+])C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000261905831 436893561 /nfs/dbraw/zinc/89/35/61/436893561.db2.gz XAQYFRDUNXGTCN-KRWDZBQOSA-N 2 1 347.463 0.932 10 0 ECAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000174784878 437086521 /nfs/dbraw/zinc/08/65/21/437086521.db2.gz OMAWSDZHMLJYCW-GVDBMIGSSA-N 2 1 337.512 0.891 10 0 ECAEMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000174784878 437086523 /nfs/dbraw/zinc/08/65/23/437086523.db2.gz OMAWSDZHMLJYCW-GVDBMIGSSA-N 2 1 337.512 0.891 10 0 ECAEMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000178291168 526618927 /nfs/dbraw/zinc/61/89/27/526618927.db2.gz GTFJFLOUYLVOPV-YOEHRIQHSA-N 2 1 347.463 0.735 10 0 ECAEMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000178291168 526618931 /nfs/dbraw/zinc/61/89/31/526618931.db2.gz GTFJFLOUYLVOPV-YOEHRIQHSA-N 2 1 347.463 0.735 10 0 ECAEMP O[C@@]1(CN2CC[NH+](C/C=C\c3ccccc3)CC2)C[NH2+]CCOC1 ZINC000219934135 608965462 /nfs/dbraw/zinc/96/54/62/608965462.db2.gz DXDYHQMSOGSIFI-BQHGXPCASA-N 2 1 331.460 0.668 10 0 ECAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000105862558 287086030 /nfs/dbraw/zinc/08/60/30/287086030.db2.gz KLXUWMFRVXXNRA-CYBMUJFWSA-N 2 1 340.468 0.341 10 0 ECAEMP C[NH+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000246751087 165142481 /nfs/dbraw/zinc/14/24/81/165142481.db2.gz FWEOBHWEYDZETB-HUUCEWRRSA-N 2 1 345.443 0.917 10 0 ECAEMP C[NH+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000246751087 165142484 /nfs/dbraw/zinc/14/24/84/165142484.db2.gz FWEOBHWEYDZETB-HUUCEWRRSA-N 2 1 345.443 0.917 10 0 ECAEMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261786645 165244071 /nfs/dbraw/zinc/24/40/71/165244071.db2.gz NGUANHHNEVFCPJ-LZWOXQAQSA-N 2 1 327.469 0.746 10 0 ECAEMP NC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261889012 165258113 /nfs/dbraw/zinc/25/81/13/165258113.db2.gz GEFGCIWYBRUKMJ-BRWVUGGUSA-N 2 1 333.432 0.797 10 0 ECAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)C1 ZINC000262027329 165278968 /nfs/dbraw/zinc/27/89/68/165278968.db2.gz BBXFDXIFTCKXKT-NVXWUHKLSA-N 2 1 338.496 0.095 10 0 ECAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000262090176 165288940 /nfs/dbraw/zinc/28/89/40/165288940.db2.gz UKJVESZTCRCKAK-TWMKSMIVSA-N 2 1 338.496 0.510 10 0 ECAEMP CC1(C)C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000262572362 165364607 /nfs/dbraw/zinc/36/46/07/165364607.db2.gz XOQMRFNKFFDGIZ-CQSZACIVSA-N 2 1 327.450 0.772 10 0 ECAEMP CC1(C)C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000262572362 165364610 /nfs/dbraw/zinc/36/46/10/165364610.db2.gz XOQMRFNKFFDGIZ-CQSZACIVSA-N 2 1 327.450 0.772 10 0 ECAEMP CC[NH+](CC)CC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105818509 436579379 /nfs/dbraw/zinc/57/93/79/436579379.db2.gz UIGIOFZXDTWHAS-QGZVFWFLSA-N 2 1 340.512 0.582 10 0 ECAEMP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105112139 436569875 /nfs/dbraw/zinc/56/98/75/436569875.db2.gz GHOKTZFUJKDKED-KRWDZBQOSA-N 2 1 337.512 0.892 10 0 ECAEMP COCCc1noc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000105862779 436582359 /nfs/dbraw/zinc/58/23/59/436582359.db2.gz XJXFYLXFBKYGCD-ZDUSSCGKSA-N 2 1 326.441 0.783 10 0 ECAEMP COCCc1noc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000105862779 436582363 /nfs/dbraw/zinc/58/23/63/436582363.db2.gz XJXFYLXFBKYGCD-ZDUSSCGKSA-N 2 1 326.441 0.783 10 0 ECAEMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275642 436686145 /nfs/dbraw/zinc/68/61/45/436686145.db2.gz CRYCZWXQEGZPRI-INIZCTEOSA-N 2 1 348.447 0.515 10 0 ECAEMP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275642 436686149 /nfs/dbraw/zinc/68/61/49/436686149.db2.gz CRYCZWXQEGZPRI-INIZCTEOSA-N 2 1 348.447 0.515 10 0 ECAEMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195275642 436686152 /nfs/dbraw/zinc/68/61/52/436686152.db2.gz CRYCZWXQEGZPRI-INIZCTEOSA-N 2 1 348.447 0.515 10 0 ECAEMP COC(=O)CNC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195275642 436686154 /nfs/dbraw/zinc/68/61/54/436686154.db2.gz CRYCZWXQEGZPRI-INIZCTEOSA-N 2 1 348.447 0.515 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246344233 436776972 /nfs/dbraw/zinc/77/69/72/436776972.db2.gz OPMOOHBWZBDGGP-KCYZZUKISA-N 2 1 336.480 0.974 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246344233 436776975 /nfs/dbraw/zinc/77/69/75/436776975.db2.gz OPMOOHBWZBDGGP-KCYZZUKISA-N 2 1 336.480 0.974 10 0 ECAEMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262087688 436905651 /nfs/dbraw/zinc/90/56/51/436905651.db2.gz CTULCNCIFSMJTO-TWMKSMIVSA-N 2 1 338.496 0.380 10 0 ECAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262087688 436905654 /nfs/dbraw/zinc/90/56/54/436905654.db2.gz CTULCNCIFSMJTO-TWMKSMIVSA-N 2 1 338.496 0.380 10 0 ECAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000263116748 545948871 /nfs/dbraw/zinc/94/88/71/545948871.db2.gz AQLHHXSTFQYPRR-CABZTGNLSA-N 2 1 325.210 0.767 10 0 ECAEMP C[NH2+]CC(=O)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000169750492 609646379 /nfs/dbraw/zinc/64/63/79/609646379.db2.gz VTSWKMWUNASCLP-QGZVFWFLSA-N 2 1 331.460 0.939 10 0 ECAEMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262087687 290631583 /nfs/dbraw/zinc/63/15/83/290631583.db2.gz CTULCNCIFSMJTO-NXOAAHMSSA-N 2 1 338.496 0.380 10 0 ECAEMP COCC[NH+]1CCN(CCN2CC[N@H+](CCOC)[C@@H](C)C2)C[C@H]1C ZINC000114719658 285049363 /nfs/dbraw/zinc/04/93/63/285049363.db2.gz YRYIPTXGXCWWAT-HDICACEKSA-N 2 1 342.528 0.291 10 0 ECAEMP COCC[NH+]1CCN(CCN2CC[N@H+](CCOC)[C@H](C)C2)C[C@@H]1C ZINC000114719658 285049364 /nfs/dbraw/zinc/04/93/64/285049364.db2.gz YRYIPTXGXCWWAT-HDICACEKSA-N 2 1 342.528 0.291 10 0 ECAEMP COCC[NH+]1CCN(CCN2CC[N@@H+](CCOC)[C@H](C)C2)C[C@@H]1C ZINC000114719658 285049366 /nfs/dbraw/zinc/04/93/66/285049366.db2.gz YRYIPTXGXCWWAT-HDICACEKSA-N 2 1 342.528 0.291 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)CC1=O ZINC000105328625 285255250 /nfs/dbraw/zinc/25/52/50/285255250.db2.gz QYHDAHAMIWEQSX-OWCLPIDISA-N 2 1 336.480 0.482 10 0 ECAEMP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516173 165085007 /nfs/dbraw/zinc/08/50/07/165085007.db2.gz ALPKJVPLCCSUGZ-AWEZNQCLSA-N 2 1 334.420 0.803 10 0 ECAEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000246508885 165137714 /nfs/dbraw/zinc/13/77/14/165137714.db2.gz SQNNXJJZFOTJOM-HOTGVXAUSA-N 2 1 326.485 0.936 10 0 ECAEMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261951738 165267606 /nfs/dbraw/zinc/26/76/06/165267606.db2.gz KCIMGUHKGQCSRF-INIZCTEOSA-N 2 1 326.485 0.130 10 0 ECAEMP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[NH+]1CCC(C)CC1 ZINC000236666487 276018008 /nfs/dbraw/zinc/01/80/08/276018008.db2.gz SGTJGQTXINIMCF-CABCVRRESA-N 2 1 347.525 0.621 10 0 ECAEMP O=C(C[N@H+]1CCC[C@H](c2nnc[nH]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000333332941 297125772 /nfs/dbraw/zinc/12/57/72/297125772.db2.gz RNPUXRSRKCTLDV-ZDUSSCGKSA-N 2 1 332.452 0.727 10 0 ECAEMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862022 436581234 /nfs/dbraw/zinc/58/12/34/436581234.db2.gz MSXUGQVMVWGZPI-OLZOCXBDSA-N 2 1 328.457 0.245 10 0 ECAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000114456686 436642055 /nfs/dbraw/zinc/64/20/55/436642055.db2.gz QPDFKBNIZWIMGW-INIZCTEOSA-N 2 1 348.495 0.979 10 0 ECAEMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247168921 436789357 /nfs/dbraw/zinc/78/93/57/436789357.db2.gz MSXUGQVMVWGZPI-STQMWFEESA-N 2 1 328.457 0.245 10 0 ECAEMP O=C(COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)NCC1CC1 ZINC000263272237 436959520 /nfs/dbraw/zinc/95/95/20/436959520.db2.gz SJUUCUKDUDJBLD-HZPDHXFCSA-N 2 1 333.432 0.262 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000181715580 437329270 /nfs/dbraw/zinc/32/92/70/437329270.db2.gz BQDKOJFIRWYKQS-INIZCTEOSA-N 2 1 326.485 0.959 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000181715580 437329273 /nfs/dbraw/zinc/32/92/73/437329273.db2.gz BQDKOJFIRWYKQS-INIZCTEOSA-N 2 1 326.485 0.959 10 0 ECAEMP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000886080268 590792486 /nfs/dbraw/zinc/79/24/86/590792486.db2.gz SFUVUYTWXXGTTL-XHSDSOJGSA-N 2 1 345.509 0.643 10 0 ECAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1C ZINC000185964367 287090567 /nfs/dbraw/zinc/09/05/67/287090567.db2.gz ZYLGNRQZTQZMSI-HUUCEWRRSA-N 2 1 326.485 0.815 10 0 ECAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000248857371 165189077 /nfs/dbraw/zinc/18/90/77/165189077.db2.gz POORAHLWGCFKNH-OAGGEKHMSA-N 2 1 327.469 0.617 10 0 ECAEMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261926120 165263557 /nfs/dbraw/zinc/26/35/57/165263557.db2.gz ZFCXACWDRSLODK-OAHLLOKOSA-N 2 1 329.404 0.946 10 0 ECAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000261963094 165269376 /nfs/dbraw/zinc/26/93/76/165269376.db2.gz ASOUAIJTHZWZEK-MRXNPFEDSA-N 2 1 331.464 0.946 10 0 ECAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)[nH+]1 ZINC000261963094 165269378 /nfs/dbraw/zinc/26/93/78/165269378.db2.gz ASOUAIJTHZWZEK-MRXNPFEDSA-N 3 1 331.464 0.946 10 0 ECAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)[nH+]1 ZINC000261963094 165269381 /nfs/dbraw/zinc/26/93/81/165269381.db2.gz ASOUAIJTHZWZEK-MRXNPFEDSA-N 3 1 331.464 0.946 10 0 ECAEMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2)C[C@H](C)O1 ZINC000262368206 165338657 /nfs/dbraw/zinc/33/86/57/165338657.db2.gz VVOBQIFJCYCMGJ-DACLVMHWSA-N 2 1 347.459 0.606 10 0 ECAEMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc2)C[C@H](C)O1 ZINC000262368206 165338659 /nfs/dbraw/zinc/33/86/59/165338659.db2.gz VVOBQIFJCYCMGJ-DACLVMHWSA-N 2 1 347.459 0.606 10 0 ECAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1C ZINC000248702893 278291132 /nfs/dbraw/zinc/29/11/32/278291132.db2.gz ZYLGNRQZTQZMSI-CABCVRRESA-N 2 1 326.485 0.815 10 0 ECAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C[C@@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246013743 288306292 /nfs/dbraw/zinc/30/62/92/288306292.db2.gz UBPOLAXFBUGHQD-RHQZKXFESA-N 2 1 336.524 0.684 10 0 ECAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)CN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000246013743 288306295 /nfs/dbraw/zinc/30/62/95/288306295.db2.gz UBPOLAXFBUGHQD-RHQZKXFESA-N 2 1 336.524 0.684 10 0 ECAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)CN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000246013743 288306298 /nfs/dbraw/zinc/30/62/98/288306298.db2.gz UBPOLAXFBUGHQD-RHQZKXFESA-N 2 1 336.524 0.684 10 0 ECAEMP CN(CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000333137276 297113052 /nfs/dbraw/zinc/11/30/52/297113052.db2.gz JPPDHMZSFZRNNY-YOEHRIQHSA-N 2 1 345.447 0.994 10 0 ECAEMP C[C@@H](O)C[N@@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000120634928 436694441 /nfs/dbraw/zinc/69/44/41/436694441.db2.gz VBEUVCAISAETPY-HZPDHXFCSA-N 2 1 348.495 0.115 10 0 ECAEMP C[C@@H](O)C[N@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000120634928 436694445 /nfs/dbraw/zinc/69/44/45/436694445.db2.gz VBEUVCAISAETPY-HZPDHXFCSA-N 2 1 348.495 0.115 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[NH+](C)CCOC)CC[N@H+]1C[C@H](C)O ZINC000248431572 436802525 /nfs/dbraw/zinc/80/25/25/436802525.db2.gz BOVBDDBFWPGHIV-GJZGRUSLSA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[N@H+](C)CCOC)CC[NH+]1C[C@H](C)O ZINC000248431572 436802527 /nfs/dbraw/zinc/80/25/27/436802527.db2.gz BOVBDDBFWPGHIV-GJZGRUSLSA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[N@@H+](C)CCOC)CC[NH+]1C[C@H](C)O ZINC000248431572 436802528 /nfs/dbraw/zinc/80/25/28/436802528.db2.gz BOVBDDBFWPGHIV-GJZGRUSLSA-N 2 1 330.473 0.051 10 0 ECAEMP CC[NH+]1CCN(CCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170830034 436955302 /nfs/dbraw/zinc/95/53/02/436955302.db2.gz KPSKPCIUCFMTFZ-MRXNPFEDSA-N 2 1 325.501 0.750 10 0 ECAEMP COCCCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171588765 436982491 /nfs/dbraw/zinc/98/24/91/436982491.db2.gz ZHNXVJOGBFQHBV-GJZGRUSLSA-N 2 1 329.485 0.552 10 0 ECAEMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000173505996 437054524 /nfs/dbraw/zinc/05/45/24/437054524.db2.gz PDXARIMRTWSOGZ-IAGOWNOFSA-N 2 1 337.512 0.750 10 0 ECAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000173505996 437054527 /nfs/dbraw/zinc/05/45/27/437054527.db2.gz PDXARIMRTWSOGZ-IAGOWNOFSA-N 2 1 337.512 0.750 10 0 ECAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000173505996 437054529 /nfs/dbraw/zinc/05/45/29/437054529.db2.gz PDXARIMRTWSOGZ-IAGOWNOFSA-N 2 1 337.512 0.750 10 0 ECAEMP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000174595073 437083529 /nfs/dbraw/zinc/08/35/29/437083529.db2.gz BVHCVEWEXOPTBT-IAGOWNOFSA-N 2 1 341.496 0.793 10 0 ECAEMP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000174595073 437083531 /nfs/dbraw/zinc/08/35/31/437083531.db2.gz BVHCVEWEXOPTBT-IAGOWNOFSA-N 2 1 341.496 0.793 10 0 ECAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000177362046 437180705 /nfs/dbraw/zinc/18/07/05/437180705.db2.gz JQFHNMMUKUCAQZ-HNNXBMFYSA-N 2 1 339.484 0.323 10 0 ECAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000177362046 437180710 /nfs/dbraw/zinc/18/07/10/437180710.db2.gz JQFHNMMUKUCAQZ-HNNXBMFYSA-N 2 1 339.484 0.323 10 0 ECAEMP CN1Cc2ccc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000177681280 437194283 /nfs/dbraw/zinc/19/42/83/437194283.db2.gz DQAFQTSDYYVSSU-MRXNPFEDSA-N 2 1 328.416 0.877 10 0 ECAEMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]4CCC[C@@H]4C3)cc2C1 ZINC000177681280 437194294 /nfs/dbraw/zinc/19/42/94/437194294.db2.gz DQAFQTSDYYVSSU-MRXNPFEDSA-N 2 1 328.416 0.877 10 0 ECAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2C1 ZINC000177681280 437194298 /nfs/dbraw/zinc/19/42/98/437194298.db2.gz DQAFQTSDYYVSSU-MRXNPFEDSA-N 2 1 328.416 0.877 10 0 ECAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000177681280 437194304 /nfs/dbraw/zinc/19/43/04/437194304.db2.gz DQAFQTSDYYVSSU-MRXNPFEDSA-N 2 1 328.416 0.877 10 0 ECAEMP CN1CCN(C(=O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180475992 437292323 /nfs/dbraw/zinc/29/23/23/437292323.db2.gz ZIUDQNDVXQWCJJ-HNNXBMFYSA-N 2 1 332.452 0.151 10 0 ECAEMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000390861148 438437143 /nfs/dbraw/zinc/43/71/43/438437143.db2.gz MATBEPGPQHRCEB-BRWVUGGUSA-N 2 1 333.432 0.117 10 0 ECAEMP NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662920159 439942443 /nfs/dbraw/zinc/94/24/43/439942443.db2.gz RMFIOULXIWDNMZ-CVEARBPZSA-N 2 1 344.459 0.608 10 0 ECAEMP NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662920159 439942450 /nfs/dbraw/zinc/94/24/50/439942450.db2.gz RMFIOULXIWDNMZ-CVEARBPZSA-N 2 1 344.459 0.608 10 0 ECAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000630696685 440943247 /nfs/dbraw/zinc/94/32/47/440943247.db2.gz JBOOFJUFVFMKCD-STQMWFEESA-N 2 1 347.419 0.225 10 0 ECAEMP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)C1 ZINC000193323677 535221481 /nfs/dbraw/zinc/22/14/81/535221481.db2.gz KVDMIKKAWVJZII-HZPDHXFCSA-N 2 1 326.485 0.367 10 0 ECAEMP CC(C)[NH+]1CCN(CCC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000900842825 586669244 /nfs/dbraw/zinc/66/92/44/586669244.db2.gz AKRVLCYGHKWIKE-IAGOWNOFSA-N 2 1 340.512 0.316 10 0 ECAEMP CC(C)[NH+]1CCN(CCC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)CC1 ZINC000900842832 586669305 /nfs/dbraw/zinc/66/93/05/586669305.db2.gz AKRVLCYGHKWIKE-SJORKVTESA-N 2 1 340.512 0.316 10 0 ECAEMP C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](Cc2cccnc2)CC12CCOCC2 ZINC000169792444 609747550 /nfs/dbraw/zinc/74/75/50/609747550.db2.gz BRQQRUZSUXJFPK-QGZVFWFLSA-N 2 1 346.475 0.988 10 0 ECAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000171588632 609762541 /nfs/dbraw/zinc/76/25/41/609762541.db2.gz WXBUWDLSBPZOTI-HUUCEWRRSA-N 2 1 327.469 0.258 10 0 ECAEMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000245683523 165113981 /nfs/dbraw/zinc/11/39/81/165113981.db2.gz AEYSFMFIHUDTQA-WBVHZDCISA-N 2 1 330.480 0.897 10 0 ECAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000245683523 165113982 /nfs/dbraw/zinc/11/39/82/165113982.db2.gz AEYSFMFIHUDTQA-WBVHZDCISA-N 2 1 330.480 0.897 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246837114 165144846 /nfs/dbraw/zinc/14/48/46/165144846.db2.gz CWYXFKXFEKSQIV-HIFRSBDPSA-N 2 1 337.468 0.075 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246837114 165144852 /nfs/dbraw/zinc/14/48/52/165144852.db2.gz CWYXFKXFEKSQIV-HIFRSBDPSA-N 2 1 337.468 0.075 10 0 ECAEMP OC(CN1CC[NH+]2CCCC[C@H]2C1)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248756382 165185378 /nfs/dbraw/zinc/18/53/78/165185378.db2.gz WSOWFTANSAIEOW-ROUUACIJSA-N 2 1 336.524 0.688 10 0 ECAEMP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261872442 165256119 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/nfs/dbraw/zinc/01/61/58/437016158.db2.gz FDXLUTZVJFQMDO-RDJZCZTQSA-N 2 1 336.480 0.977 10 0 ECAEMP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000179295029 437258007 /nfs/dbraw/zinc/25/80/07/437258007.db2.gz XIKQDPYNVPENDL-KRWDZBQOSA-N 2 1 337.512 0.892 10 0 ECAEMP C(N1CC[NH+]2CCC[C@@H]2C1)C1(CN2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000182150239 437340522 /nfs/dbraw/zinc/34/05/22/437340522.db2.gz NJXDAFXSJUFRBC-QZTJIDSGSA-N 2 1 334.508 0.563 10 0 ECAEMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186298542 437470009 /nfs/dbraw/zinc/47/00/09/437470009.db2.gz IZUWTKDBRBHXAE-LSDHHAIUSA-N 2 1 330.473 0.051 10 0 ECAEMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186298542 437470012 /nfs/dbraw/zinc/47/00/12/437470012.db2.gz IZUWTKDBRBHXAE-LSDHHAIUSA-N 2 1 330.473 0.051 10 0 ECAEMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186298542 437470016 /nfs/dbraw/zinc/47/00/16/437470016.db2.gz IZUWTKDBRBHXAE-LSDHHAIUSA-N 2 1 330.473 0.051 10 0 ECAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662745874 439866727 /nfs/dbraw/zinc/86/67/27/439866727.db2.gz XASPTFWFEPENHB-GVDBMIGSSA-N 2 1 334.439 0.619 10 0 ECAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662745874 439866733 /nfs/dbraw/zinc/86/67/33/439866733.db2.gz XASPTFWFEPENHB-GVDBMIGSSA-N 2 1 334.439 0.619 10 0 ECAEMP CC[NH+]1CCC(n2nnc(C[NH3+])c2I)CC1 ZINC000675051250 548706585 /nfs/dbraw/zinc/70/65/85/548706585.db2.gz GIRKUTKNGYMTCN-UHFFFAOYSA-N 2 1 335.193 0.998 10 0 ECAEMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000246924225 165148081 /nfs/dbraw/zinc/14/80/81/165148081.db2.gz GTFJFLOUYLVOPV-PBHICJAKSA-N 2 1 347.463 0.735 10 0 ECAEMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000246924225 165148085 /nfs/dbraw/zinc/14/80/85/165148085.db2.gz GTFJFLOUYLVOPV-PBHICJAKSA-N 2 1 347.463 0.735 10 0 ECAEMP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCN(C)CC1 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437002222 /nfs/dbraw/zinc/00/22/22/437002222.db2.gz ZUKFUAJNIJHMEP-KGLIPLIRSA-N 2 1 331.416 0.527 10 0 ECAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000181710940 437329281 /nfs/dbraw/zinc/32/92/81/437329281.db2.gz LZDLAILDZWVFBJ-RBSFLKMASA-N 2 1 326.485 0.956 10 0 ECAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000181710940 437329283 /nfs/dbraw/zinc/32/92/83/437329283.db2.gz LZDLAILDZWVFBJ-RBSFLKMASA-N 2 1 326.485 0.956 10 0 ECAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000181710940 437329286 /nfs/dbraw/zinc/32/92/86/437329286.db2.gz LZDLAILDZWVFBJ-RBSFLKMASA-N 2 1 326.485 0.956 10 0 ECAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000263116755 545948987 /nfs/dbraw/zinc/94/89/87/545948987.db2.gz AQLHHXSTFQYPRR-SKDRFNHKSA-N 2 1 325.210 0.767 10 0 ECAEMP Cc1cc[nH+]c(NCCNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072439459 216233241 /nfs/dbraw/zinc/23/32/41/216233241.db2.gz 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000245474545 285271754 /nfs/dbraw/zinc/27/17/54/285271754.db2.gz RAIHADYDVCLXFO-CVEARBPZSA-N 2 1 325.501 0.748 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246344197 165129986 /nfs/dbraw/zinc/12/99/86/165129986.db2.gz OPMOOHBWZBDGGP-DLTWYDFYSA-N 2 1 336.480 0.974 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246344197 165129990 /nfs/dbraw/zinc/12/99/90/165129990.db2.gz OPMOOHBWZBDGGP-DLTWYDFYSA-N 2 1 336.480 0.974 10 0 ECAEMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]4CCC[C@H]4C3)cc2C1 ZINC000246881325 165145951 /nfs/dbraw/zinc/14/59/51/165145951.db2.gz DQAFQTSDYYVSSU-INIZCTEOSA-N 2 1 328.416 0.877 10 0 ECAEMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+]4CCC[C@H]4C3)cc2C1 ZINC000246881325 165145956 /nfs/dbraw/zinc/14/59/56/165145956.db2.gz DQAFQTSDYYVSSU-INIZCTEOSA-N 2 1 328.416 0.877 10 0 ECAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2C1 ZINC000246881325 165145960 /nfs/dbraw/zinc/14/59/60/165145960.db2.gz DQAFQTSDYYVSSU-INIZCTEOSA-N 2 1 328.416 0.877 10 0 ECAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2C1 ZINC000246881325 165145962 /nfs/dbraw/zinc/14/59/62/165145962.db2.gz DQAFQTSDYYVSSU-INIZCTEOSA-N 2 1 328.416 0.877 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247460608 165163870 /nfs/dbraw/zinc/16/38/70/165163870.db2.gz UJRAAMOJRXSNMF-UKRRQHHQSA-N 2 1 339.484 0.225 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247460608 165163872 /nfs/dbraw/zinc/16/38/72/165163872.db2.gz UJRAAMOJRXSNMF-UKRRQHHQSA-N 2 1 339.484 0.225 10 0 ECAEMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261678199 165225742 /nfs/dbraw/zinc/22/57/42/165225742.db2.gz GSLQSPCAYWLSSA-INIZCTEOSA-N 2 1 334.420 0.879 10 0 ECAEMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261786641 165244151 /nfs/dbraw/zinc/24/41/51/165244151.db2.gz NGUANHHNEVFCPJ-IJEWVQPXSA-N 2 1 327.469 0.746 10 0 ECAEMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261863968 165253623 /nfs/dbraw/zinc/25/36/23/165253623.db2.gz CJOPMMGIYDDEBV-LXTVHRRPSA-N 2 1 331.482 0.157 10 0 ECAEMP C[NH+](C)CCN1CCC(CNC(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262310513 165327741 /nfs/dbraw/zinc/32/77/41/165327741.db2.gz QJJGKODPTYPJTJ-UHFFFAOYSA-N 2 1 326.485 0.132 10 0 ECAEMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000257191123 436859944 /nfs/dbraw/zinc/85/99/44/436859944.db2.gz PJJNIBYSXNHOKD-DLBZAZTESA-N 2 1 328.416 0.801 10 0 ECAEMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000257191123 436859947 /nfs/dbraw/zinc/85/99/47/436859947.db2.gz PJJNIBYSXNHOKD-DLBZAZTESA-N 2 1 328.416 0.801 10 0 ECAEMP CN(C)c1nc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000261774105 436888226 /nfs/dbraw/zinc/88/82/26/436888226.db2.gz XGYZXUNEQNDXSG-UONOGXRCSA-N 2 1 332.452 0.627 10 0 ECAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000263193722 436955918 /nfs/dbraw/zinc/95/59/18/436955918.db2.gz IFMIWEGAGXXNBZ-GXSJLCMTSA-N 2 1 329.194 0.848 10 0 ECAEMP COCC[N@@H+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C[C@@H]1C ZINC000173663550 437059966 /nfs/dbraw/zinc/05/99/66/437059966.db2.gz TWEGXAGHZLWTMA-DOTOQJQBSA-N 2 1 341.496 0.959 10 0 ECAEMP COCC[N@H+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C[C@@H]1C ZINC000173663550 437059970 /nfs/dbraw/zinc/05/99/70/437059970.db2.gz TWEGXAGHZLWTMA-DOTOQJQBSA-N 2 1 341.496 0.959 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176410264 437141350 /nfs/dbraw/zinc/14/13/50/437141350.db2.gz OSVSWMDUHFMHQD-IAGOWNOFSA-N 2 1 339.528 0.996 10 0 ECAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000176410264 437141355 /nfs/dbraw/zinc/14/13/55/437141355.db2.gz OSVSWMDUHFMHQD-IAGOWNOFSA-N 2 1 339.528 0.996 10 0 ECAEMP COCC[N@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000169789947 609746484 /nfs/dbraw/zinc/74/64/84/609746484.db2.gz KPYFXGSNISASDW-QGZVFWFLSA-N 2 1 336.480 0.881 10 0 ECAEMP Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169790923 609746954 /nfs/dbraw/zinc/74/69/54/609746954.db2.gz CJNBKWBKGOGEGY-GDBMZVCRSA-N 2 1 334.464 0.796 10 0 ECAEMP Cn1cccc1C(=O)N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169790923 609746956 /nfs/dbraw/zinc/74/69/56/609746956.db2.gz CJNBKWBKGOGEGY-GDBMZVCRSA-N 2 1 334.464 0.796 10 0 ECAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000111866382 285024461 /nfs/dbraw/zinc/02/44/61/285024461.db2.gz NVCIGXYFYROQAO-CVEARBPZSA-N 2 1 342.484 0.243 10 0 ECAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000117495208 221071572 /nfs/dbraw/zinc/07/15/72/221071572.db2.gz YJHGAWNEITWKAB-CVEARBPZSA-N 2 1 342.484 0.459 10 0 ECAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000117495208 221071575 /nfs/dbraw/zinc/07/15/75/221071575.db2.gz YJHGAWNEITWKAB-CVEARBPZSA-N 2 1 342.484 0.459 10 0 ECAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117495208 221071579 /nfs/dbraw/zinc/07/15/79/221071579.db2.gz YJHGAWNEITWKAB-CVEARBPZSA-N 2 1 342.484 0.459 10 0 ECAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117495208 221071582 /nfs/dbraw/zinc/07/15/82/221071582.db2.gz YJHGAWNEITWKAB-CVEARBPZSA-N 2 1 342.484 0.459 10 0 ECAEMP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247184264 165156237 /nfs/dbraw/zinc/15/62/37/165156237.db2.gz WAJIOEQDZSKFRY-OCCSQVGLSA-N 2 1 337.424 0.517 10 0 ECAEMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247184264 165156238 /nfs/dbraw/zinc/15/62/38/165156238.db2.gz WAJIOEQDZSKFRY-OCCSQVGLSA-N 2 1 337.424 0.517 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+]3CCC[C@H]3C2)CC1=O ZINC000247468957 165163626 /nfs/dbraw/zinc/16/36/26/165163626.db2.gz GNSCVWFGPDHEFL-BBWFWOEESA-N 2 1 348.491 0.626 10 0 ECAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000247468957 165163629 /nfs/dbraw/zinc/16/36/29/165163629.db2.gz GNSCVWFGPDHEFL-BBWFWOEESA-N 2 1 348.491 0.626 10 0 ECAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000247468957 165163634 /nfs/dbraw/zinc/16/36/34/165163634.db2.gz GNSCVWFGPDHEFL-BBWFWOEESA-N 2 1 348.491 0.626 10 0 ECAEMP CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261626840 165217746 /nfs/dbraw/zinc/21/77/46/165217746.db2.gz DYBFVQDUKXQETF-JKSUJKDBSA-N 3 1 340.512 0.519 10 0 ECAEMP NC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261889015 165257918 /nfs/dbraw/zinc/25/79/18/165257918.db2.gz GEFGCIWYBRUKMJ-ZACQAIPSSA-N 2 1 333.432 0.797 10 0 ECAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000262102095 165290988 /nfs/dbraw/zinc/29/09/88/165290988.db2.gz DVPGNZARBLTAHC-CABCVRRESA-N 2 1 325.453 0.515 10 0 ECAEMP COc1c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)nn1C ZINC000262256370 165318526 /nfs/dbraw/zinc/31/85/26/165318526.db2.gz QOHQORZWCVROQI-GOEBONIOSA-N 2 1 349.479 0.817 10 0 ECAEMP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262285199 165321732 /nfs/dbraw/zinc/32/17/32/165321732.db2.gz MHMLKSDLPACOPH-DZGCQCFKSA-N 2 1 334.420 0.296 10 0 ECAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1C ZINC000248702900 290094544 /nfs/dbraw/zinc/09/45/44/290094544.db2.gz ZYLGNRQZTQZMSI-GJZGRUSLSA-N 2 1 326.485 0.815 10 0 ECAEMP O=C(COc1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)N1CCCC1 ZINC000263283133 436961136 /nfs/dbraw/zinc/96/11/36/436961136.db2.gz UNUTTYCNOGGUDI-JKSUJKDBSA-N 2 1 333.432 0.358 10 0 ECAEMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000173418512 437047927 /nfs/dbraw/zinc/04/79/27/437047927.db2.gz FVTUSFLHTIZHMD-UONOGXRCSA-N 2 1 348.451 0.324 10 0 ECAEMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000173418512 437047929 /nfs/dbraw/zinc/04/79/29/437047929.db2.gz FVTUSFLHTIZHMD-UONOGXRCSA-N 2 1 348.451 0.324 10 0 ECAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000173505410 437053956 /nfs/dbraw/zinc/05/39/56/437053956.db2.gz YBCSUHUDIJMLJE-DLBZAZTESA-N 2 1 337.512 0.750 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000181715597 437328497 /nfs/dbraw/zinc/32/84/97/437328497.db2.gz BQDKOJFIRWYKQS-MRXNPFEDSA-N 2 1 326.485 0.959 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000181715597 437328501 /nfs/dbraw/zinc/32/85/01/437328501.db2.gz BQDKOJFIRWYKQS-MRXNPFEDSA-N 2 1 326.485 0.959 10 0 ECAEMP O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185157495 437430704 /nfs/dbraw/zinc/43/07/04/437430704.db2.gz YHFODSRLJJGIBX-MSOLQXFVSA-N 2 1 347.459 0.326 10 0 ECAEMP O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000185157495 437430708 /nfs/dbraw/zinc/43/07/08/437430708.db2.gz YHFODSRLJJGIBX-MSOLQXFVSA-N 2 1 347.459 0.326 10 0 ECAEMP CNc1nc(N2C[C@H](NC(=O)C[NH2+]C)[C@@H](C(C)C)C2)[nH+]c2c1CCC2 ZINC000091270215 545722551 /nfs/dbraw/zinc/72/25/51/545722551.db2.gz GKIGKGJSHMYSOG-HIFRSBDPSA-N 2 1 346.479 0.803 10 0 ECAEMP CC(=O)N[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000249687652 165201520 /nfs/dbraw/zinc/20/15/20/165201520.db2.gz SIYMXKKEIADWCY-GVKUHWBJSA-N 2 1 336.480 0.744 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261703463 165228699 /nfs/dbraw/zinc/22/86/99/165228699.db2.gz CQJXXDBSXZYRPP-KBXCAEBGSA-N 2 1 349.479 0.965 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261703463 165228701 /nfs/dbraw/zinc/22/87/01/165228701.db2.gz CQJXXDBSXZYRPP-KBXCAEBGSA-N 2 1 349.479 0.965 10 0 ECAEMP C[C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1C[NH2+]C1 ZINC000262426909 165348168 /nfs/dbraw/zinc/34/81/68/165348168.db2.gz SIXTYFITHCEDOX-CYBMUJFWSA-N 2 1 330.432 0.868 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+]3CCC[C@@H]3C2)CC1=O ZINC000247468963 279303886 /nfs/dbraw/zinc/30/38/86/279303886.db2.gz GNSCVWFGPDHEFL-GVDBMIGSSA-N 2 1 348.491 0.626 10 0 ECAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000247468963 279303888 /nfs/dbraw/zinc/30/38/88/279303888.db2.gz GNSCVWFGPDHEFL-GVDBMIGSSA-N 2 1 348.491 0.626 10 0 ECAEMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000247468963 279303890 /nfs/dbraw/zinc/30/38/90/279303890.db2.gz GNSCVWFGPDHEFL-GVDBMIGSSA-N 2 1 348.491 0.626 10 0 ECAEMP CC(=O)N[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000077266610 436231924 /nfs/dbraw/zinc/23/19/24/436231924.db2.gz IMDGBZBCTRZECC-HDICACEKSA-N 2 1 338.496 0.968 10 0 ECAEMP CC(=O)N[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000077266610 436231926 /nfs/dbraw/zinc/23/19/26/436231926.db2.gz IMDGBZBCTRZECC-HDICACEKSA-N 2 1 338.496 0.968 10 0 ECAEMP CC(=O)N[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000077266610 436231930 /nfs/dbraw/zinc/23/19/30/436231930.db2.gz IMDGBZBCTRZECC-HDICACEKSA-N 2 1 338.496 0.968 10 0 ECAEMP [NH3+]CCCCCCCCCCCC[N@H+]1C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1CO ZINC000044960155 436357412 /nfs/dbraw/zinc/35/74/12/436357412.db2.gz XUKDCKJRAWVROB-BSDSXHPESA-N 2 1 346.512 0.605 10 0 in-vitro ECAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)COC2CCOCC2)CC1 ZINC000245888629 436768650 /nfs/dbraw/zinc/76/86/50/436768650.db2.gz YQIXAKOYDVNXMF-DOTOQJQBSA-N 2 1 344.496 0.568 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000181703962 437328513 /nfs/dbraw/zinc/32/85/13/437328513.db2.gz DIVCKPWZRVMDTR-INIZCTEOSA-N 2 1 326.485 0.816 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000184887910 437415913 /nfs/dbraw/zinc/41/59/13/437415913.db2.gz BHIZBLSZWNCGMO-CVEARBPZSA-N 2 1 326.485 0.816 10 0 ECAEMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000261560218 165212295 /nfs/dbraw/zinc/21/22/95/165212295.db2.gz UNRSYKHZADIIDA-PBHICJAKSA-N 2 1 334.464 0.723 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261751105 165237965 /nfs/dbraw/zinc/23/79/65/165237965.db2.gz LVCQAIKNSMIKGE-LSDHHAIUSA-N 2 1 349.479 0.965 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261751105 165237969 /nfs/dbraw/zinc/23/79/69/165237969.db2.gz LVCQAIKNSMIKGE-LSDHHAIUSA-N 2 1 349.479 0.965 10 0 ECAEMP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262352597 165334699 /nfs/dbraw/zinc/33/46/99/165334699.db2.gz UQRAHSQRVBEBGS-JKIFEVAISA-N 2 1 335.448 0.886 10 0 ECAEMP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262352597 165334705 /nfs/dbraw/zinc/33/47/05/165334705.db2.gz UQRAHSQRVBEBGS-JKIFEVAISA-N 2 1 335.448 0.886 10 0 ECAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193420685 263166524 /nfs/dbraw/zinc/16/65/24/263166524.db2.gz YXUNBWNIWACWDO-OAHLLOKOSA-N 2 1 341.500 0.426 10 0 ECAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333493248 297138212 /nfs/dbraw/zinc/13/82/12/297138212.db2.gz GYMBXYNWWHMOAS-DRRXZNNHSA-N 2 1 336.480 0.879 10 0 ECAEMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000164359607 436930941 /nfs/dbraw/zinc/93/09/41/436930941.db2.gz MTMYELZWDQNYEP-MGPQQGTHSA-N 2 1 347.525 0.621 10 0 ECAEMP CN(c1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)C1CC[NH+](C)CC1 ZINC000263146603 436952334 /nfs/dbraw/zinc/95/23/34/436952334.db2.gz CSRZUXPFYIRUAW-QFBILLFUSA-N 3 1 332.492 0.887 10 0 ECAEMP CC[NH+]1CCN(CCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170830031 436954437 /nfs/dbraw/zinc/95/44/37/436954437.db2.gz KPSKPCIUCFMTFZ-INIZCTEOSA-N 2 1 325.501 0.750 10 0 ECAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171642901 436984472 /nfs/dbraw/zinc/98/44/72/436984472.db2.gz GNMMSQRUZPZJPR-IAGOWNOFSA-N 2 1 338.496 0.239 10 0 ECAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171642901 436984475 /nfs/dbraw/zinc/98/44/75/436984475.db2.gz GNMMSQRUZPZJPR-IAGOWNOFSA-N 2 1 338.496 0.239 10 0 ECAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171642901 436984480 /nfs/dbraw/zinc/98/44/80/436984480.db2.gz GNMMSQRUZPZJPR-IAGOWNOFSA-N 2 1 338.496 0.239 10 0 ECAEMP CCN1CC[NH+](CCCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171901104 436991686 /nfs/dbraw/zinc/99/16/86/436991686.db2.gz ZSANMCKFWKTKIS-QGZVFWFLSA-N 2 1 337.512 0.894 10 0 ECAEMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171901104 436991690 /nfs/dbraw/zinc/99/16/90/436991690.db2.gz ZSANMCKFWKTKIS-QGZVFWFLSA-N 2 1 337.512 0.894 10 0 ECAEMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171901104 436991694 /nfs/dbraw/zinc/99/16/94/436991694.db2.gz ZSANMCKFWKTKIS-QGZVFWFLSA-N 2 1 337.512 0.894 10 0 ECAEMP COCC[N@@H+]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000173915537 437068114 /nfs/dbraw/zinc/06/81/14/437068114.db2.gz ITTQSCIEGXFXBR-AWEZNQCLSA-N 2 1 338.456 0.629 10 0 ECAEMP COCC[N@H+]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000173915537 437068116 /nfs/dbraw/zinc/06/81/16/437068116.db2.gz ITTQSCIEGXFXBR-AWEZNQCLSA-N 2 1 338.456 0.629 10 0 ECAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309690457 437171092 /nfs/dbraw/zinc/17/10/92/437171092.db2.gz CSFSQTUMEWJMJB-HOCLYGCPSA-N 2 1 341.477 0.415 10 0 ECAEMP Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657345928 440998309 /nfs/dbraw/zinc/99/83/09/440998309.db2.gz ATQYTWYEGFGEPP-DOTOQJQBSA-N 2 1 349.479 0.642 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190081405 165018344 /nfs/dbraw/zinc/01/83/44/165018344.db2.gz ZFQZBZPILIPARN-UONOGXRCSA-N 2 1 348.451 0.078 10 0 ECAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000247258734 165157927 /nfs/dbraw/zinc/15/79/27/165157927.db2.gz YJHGAWNEITWKAB-HZPDHXFCSA-N 2 1 342.484 0.459 10 0 ECAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000247258734 165157931 /nfs/dbraw/zinc/15/79/31/165157931.db2.gz YJHGAWNEITWKAB-HZPDHXFCSA-N 2 1 342.484 0.459 10 0 ECAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000247258734 165157934 /nfs/dbraw/zinc/15/79/34/165157934.db2.gz YJHGAWNEITWKAB-HZPDHXFCSA-N 2 1 342.484 0.459 10 0 ECAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000247258734 165157936 /nfs/dbraw/zinc/15/79/36/165157936.db2.gz YJHGAWNEITWKAB-HZPDHXFCSA-N 2 1 342.484 0.459 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000249263581 165196100 /nfs/dbraw/zinc/19/61/00/165196100.db2.gz ZFQZBZPILIPARN-KBPBESRZSA-N 2 1 348.451 0.078 10 0 ECAEMP Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000262026621 165277915 /nfs/dbraw/zinc/27/79/15/165277915.db2.gz GOCZVNYGWMTSAR-INIZCTEOSA-N 2 1 334.468 0.429 10 0 ECAEMP CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262048462 165281945 /nfs/dbraw/zinc/28/19/45/165281945.db2.gz ZJUSKUOIAGVJSZ-ZNMIVQPWSA-N 2 1 331.482 0.157 10 0 ECAEMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000262083043 165286911 /nfs/dbraw/zinc/28/69/11/165286911.db2.gz KUUYSBMIYOSCGV-OAHLLOKOSA-N 2 1 332.452 0.199 10 0 ECAEMP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262352596 165334373 /nfs/dbraw/zinc/33/43/73/165334373.db2.gz UQRAHSQRVBEBGS-CPUCHLNUSA-N 2 1 335.448 0.886 10 0 ECAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000173914273 279358672 /nfs/dbraw/zinc/35/86/72/279358672.db2.gz FRAWMVCJNONTOT-JKSUJKDBSA-N 2 1 325.501 0.606 10 0 ECAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC(O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246012637 288305714 /nfs/dbraw/zinc/30/57/14/288305714.db2.gz UBPOLAXFBUGHQD-BRSBDYLESA-N 2 1 336.524 0.684 10 0 ECAEMP C[N@H+](CC(=O)NC(N)=O)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862814 436581410 /nfs/dbraw/zinc/58/14/10/436581410.db2.gz DFSRTIBQPKOGOA-MRXNPFEDSA-N 2 1 348.447 0.559 10 0 ECAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000246332789 436778226 /nfs/dbraw/zinc/77/82/26/436778226.db2.gz OMAWSDZHMLJYCW-BBWFWOEESA-N 2 1 337.512 0.891 10 0 ECAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)COC2CCOCC2)CC1 ZINC000127505477 436803975 /nfs/dbraw/zinc/80/39/75/436803975.db2.gz YQIXAKOYDVNXMF-RDJZCZTQSA-N 2 1 344.496 0.568 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000341629834 437875900 /nfs/dbraw/zinc/87/59/00/437875900.db2.gz GDBXVCIEBSLJJU-KFWWJZLASA-N 2 1 326.485 0.956 10 0 ECAEMP C[NH2+][C@@H]1C(F)=CC=C[C@@H]1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000888094218 586349136 /nfs/dbraw/zinc/34/91/36/586349136.db2.gz FYRWVPLHGGAAGB-ATGSNQNLSA-N 2 1 334.399 0.219 10 0 ECAEMP C[NH+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000246751103 165141772 /nfs/dbraw/zinc/14/17/72/165141772.db2.gz FWEOBHWEYDZETB-LSDHHAIUSA-N 2 1 345.443 0.917 10 0 ECAEMP C[NH+](C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000246751103 165141775 /nfs/dbraw/zinc/14/17/75/165141775.db2.gz FWEOBHWEYDZETB-LSDHHAIUSA-N 2 1 345.443 0.917 10 0 ECAEMP NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261635886 165219368 /nfs/dbraw/zinc/21/93/68/165219368.db2.gz FGQIKWQOKDZKMY-BBWFWOEESA-N 2 1 344.459 0.385 10 0 ECAEMP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261635886 165219370 /nfs/dbraw/zinc/21/93/70/165219370.db2.gz FGQIKWQOKDZKMY-BBWFWOEESA-N 2 1 344.459 0.385 10 0 ECAEMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261955320 165269340 /nfs/dbraw/zinc/26/93/40/165269340.db2.gz ZPACQRHVQVCLAG-UHFFFAOYSA-N 2 1 346.431 0.521 10 0 ECAEMP CN1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000104873908 436564908 /nfs/dbraw/zinc/56/49/08/436564908.db2.gz GXKNCWVVVDAQOS-QZTJIDSGSA-N 2 1 346.475 0.422 10 0 ECAEMP CN1CCO[C@H](CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000104873906 436565996 /nfs/dbraw/zinc/56/59/96/436565996.db2.gz GXKNCWVVVDAQOS-MSOLQXFVSA-N 2 1 346.475 0.422 10 0 ECAEMP CCCNC(=O)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105861993 436581992 /nfs/dbraw/zinc/58/19/92/436581992.db2.gz CUJRGCMVONJEIW-CYBMUJFWSA-N 2 1 328.457 0.247 10 0 ECAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)COC2CCOCC2)CC1 ZINC000245888632 436768471 /nfs/dbraw/zinc/76/84/71/436768471.db2.gz YQIXAKOYDVNXMF-NVXWUHKLSA-N 2 1 344.496 0.568 10 0 ECAEMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000263334337 436963515 /nfs/dbraw/zinc/96/35/15/436963515.db2.gz VUXKIKRMVHDJAH-UHFFFAOYSA-N 2 1 330.476 0.920 10 0 ECAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000310264112 437170717 /nfs/dbraw/zinc/17/07/17/437170717.db2.gz GYMUENHGWQUMNT-OAHLLOKOSA-N 2 1 332.448 0.445 10 0 ECAEMP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181073506 437310054 /nfs/dbraw/zinc/31/00/54/437310054.db2.gz GSHSGCBVPXGWNL-LSDHHAIUSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181073506 437310060 /nfs/dbraw/zinc/31/00/60/437310060.db2.gz GSHSGCBVPXGWNL-LSDHHAIUSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181073506 437310065 /nfs/dbraw/zinc/31/00/65/437310065.db2.gz GSHSGCBVPXGWNL-LSDHHAIUSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181073506 437310067 /nfs/dbraw/zinc/31/00/67/437310067.db2.gz GSHSGCBVPXGWNL-LSDHHAIUSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000181739103 437328842 /nfs/dbraw/zinc/32/88/42/437328842.db2.gz YBUYOQWZQICOLA-JKSUJKDBSA-N 2 1 342.484 0.195 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000181739103 437328844 /nfs/dbraw/zinc/32/88/44/437328844.db2.gz YBUYOQWZQICOLA-JKSUJKDBSA-N 2 1 342.484 0.195 10 0 ECAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662941232 439956429 /nfs/dbraw/zinc/95/64/29/439956429.db2.gz UCJGWDBKMCWZJF-QZTJIDSGSA-N 2 1 346.475 0.155 10 0 ECAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662941232 439956432 /nfs/dbraw/zinc/95/64/32/439956432.db2.gz UCJGWDBKMCWZJF-QZTJIDSGSA-N 2 1 346.475 0.155 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1=O ZINC000246473806 285254944 /nfs/dbraw/zinc/25/49/44/285254944.db2.gz QYHDAHAMIWEQSX-BZUAXINKSA-N 2 1 336.480 0.482 10 0 ECAEMP C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000163322062 164814392 /nfs/dbraw/zinc/81/43/92/164814392.db2.gz CGZVDLPPNMJMRV-JKSUJKDBSA-N 2 1 342.484 0.101 10 0 ECAEMP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261863973 165254026 /nfs/dbraw/zinc/25/40/26/165254026.db2.gz CJOPMMGIYDDEBV-TUVASFSCSA-N 2 1 331.482 0.157 10 0 ECAEMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261951739 165267135 /nfs/dbraw/zinc/26/71/35/165267135.db2.gz KCIMGUHKGQCSRF-MRXNPFEDSA-N 2 1 326.485 0.130 10 0 ECAEMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CCN(CCn2cccn2)CC1 ZINC000262064922 165284117 /nfs/dbraw/zinc/28/41/17/165284117.db2.gz JKGAQAIDLCVPHJ-UHFFFAOYSA-N 2 1 348.495 0.101 10 0 ECAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C[C@@H](C)O1 ZINC000262272113 165319841 /nfs/dbraw/zinc/31/98/41/165319841.db2.gz NCTGPSYNQSYEOY-ZIAGYGMSSA-N 2 1 327.469 0.746 10 0 ECAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261958393 276111103 /nfs/dbraw/zinc/11/11/03/276111103.db2.gz PFNUUXFBSKYHHO-RRFJBIMHSA-N 2 1 333.498 0.405 10 0 ECAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000078682345 436276237 /nfs/dbraw/zinc/27/62/37/436276237.db2.gz XIRVSHDDEIITKS-ZDUSSCGKSA-N 2 1 327.473 0.226 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000113588780 436638305 /nfs/dbraw/zinc/63/83/05/436638305.db2.gz XFTKFVVKPDYMHY-DOTOQJQBSA-N 2 1 337.512 0.891 10 0 ECAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000113588780 436638307 /nfs/dbraw/zinc/63/83/07/436638307.db2.gz XFTKFVVKPDYMHY-DOTOQJQBSA-N 2 1 337.512 0.891 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000113588780 436638308 /nfs/dbraw/zinc/63/83/08/436638308.db2.gz XFTKFVVKPDYMHY-DOTOQJQBSA-N 2 1 337.512 0.891 10 0 ECAEMP COCC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000114456644 436641633 /nfs/dbraw/zinc/64/16/33/436641633.db2.gz GVSLPVPUOKGVES-MRXNPFEDSA-N 2 1 340.512 0.628 10 0 ECAEMP COCC[N@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000114456644 436641635 /nfs/dbraw/zinc/64/16/35/436641635.db2.gz GVSLPVPUOKGVES-MRXNPFEDSA-N 2 1 340.512 0.628 10 0 ECAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000249526663 436823373 /nfs/dbraw/zinc/82/33/73/436823373.db2.gz UOHYONYLJYJXSE-HZPDHXFCSA-N 2 1 326.485 0.864 10 0 ECAEMP C[C@H](CNC(=O)C1([NH3+])CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000261906695 436893891 /nfs/dbraw/zinc/89/38/91/436893891.db2.gz SHLWIPLEUMLMSS-MRXNPFEDSA-N 2 1 346.475 0.821 10 0 ECAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000172247851 437004855 /nfs/dbraw/zinc/00/48/55/437004855.db2.gz AJTYOZOJMMKADY-MRXNPFEDSA-N 2 1 334.468 0.904 10 0 ECAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000172247851 437004859 /nfs/dbraw/zinc/00/48/59/437004859.db2.gz AJTYOZOJMMKADY-MRXNPFEDSA-N 2 1 334.468 0.904 10 0 ECAEMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178289154 437211029 /nfs/dbraw/zinc/21/10/29/437211029.db2.gz WAJIOEQDZSKFRY-JSGCOSHPSA-N 2 1 337.424 0.517 10 0 ECAEMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178289154 437211031 /nfs/dbraw/zinc/21/10/31/437211031.db2.gz WAJIOEQDZSKFRY-JSGCOSHPSA-N 2 1 337.424 0.517 10 0 ECAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000177148678 437170935 /nfs/dbraw/zinc/17/09/35/437170935.db2.gz NOWZEBSGUWEIKO-HZPDHXFCSA-N 2 1 347.463 0.593 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179285674 437258449 /nfs/dbraw/zinc/25/84/49/437258449.db2.gz FIRVDFJDXQZGIQ-DOTOQJQBSA-N 2 1 337.512 0.891 10 0 ECAEMP CC[C@@H]1CN(C(=O)NCC[NH+](C)CCOC)CC[N@H+]1C[C@@H](C)O ZINC000185048260 437422510 /nfs/dbraw/zinc/42/25/10/437422510.db2.gz BOVBDDBFWPGHIV-HUUCEWRRSA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@@H]1CN(C(=O)NCC[N@H+](C)CCOC)CC[NH+]1C[C@@H](C)O ZINC000185048260 437422514 /nfs/dbraw/zinc/42/25/14/437422514.db2.gz BOVBDDBFWPGHIV-HUUCEWRRSA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@@H]1CN(C(=O)NCC[N@@H+](C)CCOC)CC[NH+]1C[C@@H](C)O ZINC000185048260 437422516 /nfs/dbraw/zinc/42/25/16/437422516.db2.gz BOVBDDBFWPGHIV-HUUCEWRRSA-N 2 1 330.473 0.051 10 0 ECAEMP COC(=O)Cn1cc(CC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)nn1 ZINC000154556457 533789220 /nfs/dbraw/zinc/78/92/20/533789220.db2.gz KMDXMYGRVKMDLM-OAHLLOKOSA-N 2 1 332.408 0.663 10 0 ECAEMP COC(=O)Cn1cc(CC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)nn1 ZINC000154556457 533789227 /nfs/dbraw/zinc/78/92/27/533789227.db2.gz KMDXMYGRVKMDLM-OAHLLOKOSA-N 2 1 332.408 0.663 10 0 ECAEMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263115249 545949083 /nfs/dbraw/zinc/94/90/83/545949083.db2.gz AOOQODYHHXLHLU-MJGOQNOKSA-N 3 1 332.492 0.889 10 0 ECAEMP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000886080267 590792386 /nfs/dbraw/zinc/79/23/86/590792386.db2.gz SFUVUYTWXXGTTL-OAGGEKHMSA-N 2 1 345.509 0.643 10 0 ECAEMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000177687687 207375980 /nfs/dbraw/zinc/37/59/80/207375980.db2.gz MCAVJFWPEAWQRX-INIZCTEOSA-N 2 1 330.432 0.993 10 0 ECAEMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000248600867 165181439 /nfs/dbraw/zinc/18/14/39/165181439.db2.gz IZUWTKDBRBHXAE-CABCVRRESA-N 2 1 330.473 0.051 10 0 ECAEMP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000249882129 165203402 /nfs/dbraw/zinc/20/34/02/165203402.db2.gz NUTZVSBFHJNTFM-ZIAGYGMSSA-N 2 1 334.420 0.802 10 0 ECAEMP CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[NH+]1CCOCC1 ZINC000261647228 165220477 /nfs/dbraw/zinc/22/04/77/165220477.db2.gz DXMXKGWTMXLJOE-IAGOWNOFSA-N 2 1 341.496 0.994 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261703468 165229762 /nfs/dbraw/zinc/22/97/62/165229762.db2.gz CQJXXDBSXZYRPP-KDOFPFPSSA-N 2 1 349.479 0.965 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261703468 165229768 /nfs/dbraw/zinc/22/97/68/165229768.db2.gz CQJXXDBSXZYRPP-KDOFPFPSSA-N 2 1 349.479 0.965 10 0 ECAEMP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000261825528 165249724 /nfs/dbraw/zinc/24/97/24/165249724.db2.gz KOEGHVCTRQAWLF-UHFFFAOYSA-N 2 1 333.432 0.643 10 0 ECAEMP CCOCCN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1CC ZINC000262228214 165312794 /nfs/dbraw/zinc/31/27/94/165312794.db2.gz VDPPOCUDICJMML-INIZCTEOSA-N 2 1 326.485 0.241 10 0 ECAEMP CCOCC[N@@H+]1CCN(CCC(=O)N2CC[NH2+]CC2)C[C@@H]1CC ZINC000262228214 165312801 /nfs/dbraw/zinc/31/28/01/165312801.db2.gz VDPPOCUDICJMML-INIZCTEOSA-N 2 1 326.485 0.241 10 0 ECAEMP CCOCC[N@H+]1CCN(CCC(=O)N2CC[NH2+]CC2)C[C@@H]1CC ZINC000262228214 165312806 /nfs/dbraw/zinc/31/28/06/165312806.db2.gz VDPPOCUDICJMML-INIZCTEOSA-N 2 1 326.485 0.241 10 0 ECAEMP COC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000262431886 165348112 /nfs/dbraw/zinc/34/81/12/165348112.db2.gz TVUNPBJMPQQQOO-ZIAGYGMSSA-N 2 1 334.420 0.296 10 0 ECAEMP CN(C)c1nc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000261774098 273825415 /nfs/dbraw/zinc/82/54/15/273825415.db2.gz XGYZXUNEQNDXSG-KBPBESRZSA-N 2 1 332.452 0.627 10 0 ECAEMP C[N@H+](CC(=O)NC(N)=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862811 436581477 /nfs/dbraw/zinc/58/14/77/436581477.db2.gz DFSRTIBQPKOGOA-INIZCTEOSA-N 2 1 348.447 0.559 10 0 ECAEMP C[NH+]1CCC([NH2+]C[C@@]2(COc3cnccn3)C[C@@H](O)[C@@H](O)C2)CC1 ZINC000107430548 436611260 /nfs/dbraw/zinc/61/12/60/436611260.db2.gz AMROASKXFSFPLI-SCAQPMJSSA-N 2 1 336.436 0.041 10 0 ECAEMP CNC(=O)CN1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000157265176 436827139 /nfs/dbraw/zinc/82/71/39/436827139.db2.gz UJRAAMOJRXSNMF-HIFRSBDPSA-N 2 1 339.484 0.225 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000157265176 436827141 /nfs/dbraw/zinc/82/71/41/436827141.db2.gz UJRAAMOJRXSNMF-HIFRSBDPSA-N 2 1 339.484 0.225 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000157265176 436827142 /nfs/dbraw/zinc/82/71/42/436827142.db2.gz UJRAAMOJRXSNMF-HIFRSBDPSA-N 2 1 339.484 0.225 10 0 ECAEMP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[NH+]1CCCC1 ZINC000164126733 436930866 /nfs/dbraw/zinc/93/08/66/436930866.db2.gz PPJZCZLBWPUMLE-LSDHHAIUSA-N 2 1 347.525 0.765 10 0 ECAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000263193723 436956116 /nfs/dbraw/zinc/95/61/16/436956116.db2.gz IFMIWEGAGXXNBZ-KOLCDFICSA-N 2 1 329.194 0.848 10 0 ECAEMP C[NH+](C)Cc1ccc(N2CCN(c3cc[nH+]cc3C(N)=O)CC2)nc1 ZINC000302225059 437141815 /nfs/dbraw/zinc/14/18/15/437141815.db2.gz OKSMVMUMVOTZBP-UHFFFAOYSA-N 2 1 340.431 0.964 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000181739141 437327729 /nfs/dbraw/zinc/32/77/29/437327729.db2.gz YBUYOQWZQICOLA-HZPDHXFCSA-N 2 1 342.484 0.195 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000181739141 437327730 /nfs/dbraw/zinc/32/77/30/437327730.db2.gz YBUYOQWZQICOLA-HZPDHXFCSA-N 2 1 342.484 0.195 10 0 ECAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662741462 439867726 /nfs/dbraw/zinc/86/77/26/439867726.db2.gz FTMFBENGOXYJRQ-KBAYOESNSA-N 2 1 330.476 0.774 10 0 ECAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662741462 439867731 /nfs/dbraw/zinc/86/77/31/439867731.db2.gz FTMFBENGOXYJRQ-KBAYOESNSA-N 2 1 330.476 0.774 10 0 ECAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662941231 439957031 /nfs/dbraw/zinc/95/70/31/439957031.db2.gz UCJGWDBKMCWZJF-MSOLQXFVSA-N 2 1 346.475 0.155 10 0 ECAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000662941231 439957035 /nfs/dbraw/zinc/95/70/35/439957035.db2.gz UCJGWDBKMCWZJF-MSOLQXFVSA-N 2 1 346.475 0.155 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000184887947 320535202 /nfs/dbraw/zinc/53/52/02/320535202.db2.gz BHIZBLSZWNCGMO-HOTGVXAUSA-N 2 1 326.485 0.816 10 0 ECAEMP Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1CN(C)C ZINC000169791087 609747337 /nfs/dbraw/zinc/74/73/37/609747337.db2.gz MOJIHZCDYKWENY-RHSMWYFYSA-N 2 1 349.479 0.499 10 0 ECAEMP Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169791087 609747340 /nfs/dbraw/zinc/74/73/40/609747340.db2.gz MOJIHZCDYKWENY-RHSMWYFYSA-N 2 1 349.479 0.499 10 0 ECAEMP Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000169791087 609747342 /nfs/dbraw/zinc/74/73/42/609747342.db2.gz MOJIHZCDYKWENY-RHSMWYFYSA-N 2 1 349.479 0.499 10 0 ECAEMP CC(C)[N@@H+](C)CC(=O)N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000105818525 201060777 /nfs/dbraw/zinc/06/07/77/201060777.db2.gz YZIKRKZLKFRZBE-QGZVFWFLSA-N 2 1 340.512 0.580 10 0 ECAEMP CC(C)[NH+](C)CC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818525 201060781 /nfs/dbraw/zinc/06/07/81/201060781.db2.gz YZIKRKZLKFRZBE-QGZVFWFLSA-N 2 1 340.512 0.580 10 0 ECAEMP CC(C)[NH+](C)CC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105818525 201060782 /nfs/dbraw/zinc/06/07/82/201060782.db2.gz YZIKRKZLKFRZBE-QGZVFWFLSA-N 2 1 340.512 0.580 10 0 ECAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)C1(C)C ZINC000188187900 286305497 /nfs/dbraw/zinc/30/54/97/286305497.db2.gz IJXPUCNKDIQOFM-CKEIUWERSA-N 2 1 327.469 0.698 10 0 ECAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)C1(C)C ZINC000188187900 286305500 /nfs/dbraw/zinc/30/55/00/286305500.db2.gz IJXPUCNKDIQOFM-CKEIUWERSA-N 2 1 327.469 0.698 10 0 ECAEMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C[C@@H](O)CC)CC2)C1 ZINC000245587025 165109943 /nfs/dbraw/zinc/10/99/43/165109943.db2.gz JSSRMKHBZCLQAQ-HOTGVXAUSA-N 2 1 326.485 0.816 10 0 ECAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C[C@@H](O)CC)CC2)C1 ZINC000245587025 165109945 /nfs/dbraw/zinc/10/99/45/165109945.db2.gz JSSRMKHBZCLQAQ-HOTGVXAUSA-N 2 1 326.485 0.816 10 0 ECAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247071753 165153236 /nfs/dbraw/zinc/15/32/36/165153236.db2.gz GNMMSQRUZPZJPR-IRXDYDNUSA-N 2 1 338.496 0.239 10 0 ECAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247071753 165153238 /nfs/dbraw/zinc/15/32/38/165153238.db2.gz GNMMSQRUZPZJPR-IRXDYDNUSA-N 2 1 338.496 0.239 10 0 ECAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247071753 165153241 /nfs/dbraw/zinc/15/32/41/165153241.db2.gz GNMMSQRUZPZJPR-IRXDYDNUSA-N 2 1 338.496 0.239 10 0 ECAEMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248600870 165181788 /nfs/dbraw/zinc/18/17/88/165181788.db2.gz IZUWTKDBRBHXAE-GJZGRUSLSA-N 2 1 330.473 0.051 10 0 ECAEMP 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ZINC000247389027 612910765 /nfs/dbraw/zinc/91/07/65/612910765.db2.gz WXBUWDLSBPZOTI-GJZGRUSLSA-N 2 1 327.469 0.258 10 0 ECAEMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](O)CC)CC2)C1 ZINC000245587022 165110279 /nfs/dbraw/zinc/11/02/79/165110279.db2.gz JSSRMKHBZCLQAQ-CVEARBPZSA-N 2 1 326.485 0.816 10 0 ECAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](O)CC)CC2)C1 ZINC000245587022 165110283 /nfs/dbraw/zinc/11/02/83/165110283.db2.gz JSSRMKHBZCLQAQ-CVEARBPZSA-N 2 1 326.485 0.816 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261703473 165229712 /nfs/dbraw/zinc/22/97/12/165229712.db2.gz CQJXXDBSXZYRPP-KSSFIOAISA-N 2 1 349.479 0.965 10 0 ECAEMP COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261703473 165229718 /nfs/dbraw/zinc/22/97/18/165229718.db2.gz CQJXXDBSXZYRPP-KSSFIOAISA-N 2 1 349.479 0.965 10 0 ECAEMP COC1CC[NH+](C2(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)CCCC2)CC1 ZINC000262306555 165325554 /nfs/dbraw/zinc/32/55/54/165325554.db2.gz QBOUJFGADXSCIQ-ZBFHGGJFSA-N 2 1 339.480 0.903 10 0 ECAEMP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247232529 278152537 /nfs/dbraw/zinc/15/25/37/278152537.db2.gz RIVJGWVGCBVAIG-ZMSDIMECSA-N 2 1 341.496 0.695 10 0 ECAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333493253 297138338 /nfs/dbraw/zinc/13/83/38/297138338.db2.gz GYMBXYNWWHMOAS-ZHCJQAHYSA-N 2 1 336.480 0.879 10 0 ECAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000105915609 436587651 /nfs/dbraw/zinc/58/76/51/436587651.db2.gz MOIZWZFSRARXNA-HOCLYGCPSA-N 2 1 327.469 0.306 10 0 ECAEMP CCN(C)C(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000130351583 436836090 /nfs/dbraw/zinc/83/60/90/436836090.db2.gz OXKQGDOWRBAIFF-KRWDZBQOSA-N 2 1 340.512 0.582 10 0 ECAEMP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)N1CCOCC1 ZINC000193917433 165060508 /nfs/dbraw/zinc/06/05/08/165060508.db2.gz FVXTXDBNUDKKAE-CYBMUJFWSA-N 2 1 346.431 0.407 10 0 ECAEMP 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/nfs/dbraw/zinc/18/12/09/165181209.db2.gz WQYGCIFOQCVANZ-ARFHVFGLSA-N 2 1 342.484 0.194 10 0 ECAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248666387 165181212 /nfs/dbraw/zinc/18/12/12/165181212.db2.gz WQYGCIFOQCVANZ-ARFHVFGLSA-N 2 1 342.484 0.194 10 0 ECAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248666387 165181214 /nfs/dbraw/zinc/18/12/14/165181214.db2.gz WQYGCIFOQCVANZ-ARFHVFGLSA-N 2 1 342.484 0.194 10 0 ECAEMP CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000261626825 165216926 /nfs/dbraw/zinc/21/69/26/165216926.db2.gz DYBFVQDUKXQETF-CVEARBPZSA-N 3 1 340.512 0.519 10 0 ECAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000261963093 165269684 /nfs/dbraw/zinc/26/96/84/165269684.db2.gz ASOUAIJTHZWZEK-INIZCTEOSA-N 2 1 331.464 0.946 10 0 ECAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)[nH+]1 ZINC000261963093 165269688 /nfs/dbraw/zinc/26/96/88/165269688.db2.gz ASOUAIJTHZWZEK-INIZCTEOSA-N 3 1 331.464 0.946 10 0 ECAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)[nH+]1 ZINC000261963093 165269690 /nfs/dbraw/zinc/26/96/90/165269690.db2.gz ASOUAIJTHZWZEK-INIZCTEOSA-N 3 1 331.464 0.946 10 0 ECAEMP COC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000262431878 165348129 /nfs/dbraw/zinc/34/81/29/165348129.db2.gz TVUNPBJMPQQQOO-KGLIPLIRSA-N 2 1 334.420 0.296 10 0 ECAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000154473802 436779377 /nfs/dbraw/zinc/77/93/77/436779377.db2.gz NGJNZBFIXWHYGE-AWEZNQCLSA-N 2 1 348.451 0.080 10 0 ECAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000154473802 436779380 /nfs/dbraw/zinc/77/93/80/436779380.db2.gz NGJNZBFIXWHYGE-AWEZNQCLSA-N 2 1 348.451 0.080 10 0 ECAEMP CN1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000126110894 436782110 /nfs/dbraw/zinc/78/21/10/436782110.db2.gz WIXPEHGTQVWFTK-DJIMGWMZSA-N 2 1 336.480 0.975 10 0 ECAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000262272110 436920703 /nfs/dbraw/zinc/92/07/03/436920703.db2.gz NCTGPSYNQSYEOY-OKILXGFUSA-N 2 1 327.469 0.746 10 0 ECAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000262272110 436920707 /nfs/dbraw/zinc/92/07/07/436920707.db2.gz NCTGPSYNQSYEOY-OKILXGFUSA-N 2 1 327.469 0.746 10 0 ECAEMP CN(c1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)C1CC[NH+](C)CC1 ZINC000263146600 436952941 /nfs/dbraw/zinc/95/29/41/436952941.db2.gz CSRZUXPFYIRUAW-LPHOPBHVSA-N 3 1 332.492 0.887 10 0 ECAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170830217 436954583 /nfs/dbraw/zinc/95/45/83/436954583.db2.gz RLFDZJAWBGZRSG-OAHLLOKOSA-N 2 1 339.484 0.323 10 0 ECAEMP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000170828178 436954591 /nfs/dbraw/zinc/95/45/91/436954591.db2.gz MCBLDLKWNYAYDN-HZPDHXFCSA-N 2 1 325.501 0.604 10 0 ECAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000263193725 436954991 /nfs/dbraw/zinc/95/49/91/436954991.db2.gz IFMIWEGAGXXNBZ-MWLCHTKSSA-N 2 1 329.194 0.848 10 0 ECAEMP O=C(COc1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)NCC1CC1 ZINC000263272239 436959689 /nfs/dbraw/zinc/95/96/89/436959689.db2.gz SJUUCUKDUDJBLD-JKSUJKDBSA-N 2 1 333.432 0.262 10 0 ECAEMP CC[C@@H]1CN(C(=O)NCCCN2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000184683863 437408468 /nfs/dbraw/zinc/40/84/68/437408468.db2.gz HIUGVEZOMYLZOO-HZPDHXFCSA-N 2 1 342.484 0.195 10 0 ECAEMP CC[C@@H]1CN(C(=O)NCCCN2CCOCC2)CCN1C[C@@H](C)O ZINC000184683863 437408471 /nfs/dbraw/zinc/40/84/71/437408471.db2.gz HIUGVEZOMYLZOO-HZPDHXFCSA-N 2 1 342.484 0.195 10 0 ECAEMP COCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000186298522 437469634 /nfs/dbraw/zinc/46/96/34/437469634.db2.gz IZUWTKDBRBHXAE-HUUCEWRRSA-N 2 1 330.473 0.051 10 0 ECAEMP COCCC[NH+](C)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186298522 437469639 /nfs/dbraw/zinc/46/96/39/437469639.db2.gz IZUWTKDBRBHXAE-HUUCEWRRSA-N 2 1 330.473 0.051 10 0 ECAEMP COCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186298522 437469644 /nfs/dbraw/zinc/46/96/44/437469644.db2.gz IZUWTKDBRBHXAE-HUUCEWRRSA-N 2 1 330.473 0.051 10 0 ECAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)ccn1 ZINC000886062995 590789100 /nfs/dbraw/zinc/78/91/00/590789100.db2.gz QTASOUZMBZGCOU-OAHLLOKOSA-N 2 1 347.419 0.148 10 0 ECAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000177148693 207300349 /nfs/dbraw/zinc/30/03/49/207300349.db2.gz NOWZEBSGUWEIKO-HOTGVXAUSA-N 2 1 347.463 0.593 10 0 ECAEMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCO1 ZINC000177674561 207374781 /nfs/dbraw/zinc/37/47/81/207374781.db2.gz IZKYQIBLKKDSNW-MRXNPFEDSA-N 2 1 346.431 0.360 10 0 ECAEMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCO1 ZINC000177674561 207374784 /nfs/dbraw/zinc/37/47/84/207374784.db2.gz IZKYQIBLKKDSNW-MRXNPFEDSA-N 2 1 346.431 0.360 10 0 ECAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)C1(C)C ZINC000249065718 286305650 /nfs/dbraw/zinc/30/56/50/286305650.db2.gz IJXPUCNKDIQOFM-JJRVBVJISA-N 2 1 327.469 0.698 10 0 ECAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)C1(C)C ZINC000249065718 286305652 /nfs/dbraw/zinc/30/56/52/286305652.db2.gz IJXPUCNKDIQOFM-JJRVBVJISA-N 2 1 327.469 0.698 10 0 ECAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000263288505 436960509 /nfs/dbraw/zinc/96/05/09/436960509.db2.gz VKGCRILEMSBEAY-JSGCOSHPSA-N 2 1 330.388 0.518 10 0 ECAEMP C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1N1CCOCC1 ZINC000173969075 437070473 /nfs/dbraw/zinc/07/04/73/437070473.db2.gz UQNTUFYCUHGJBA-IAGOWNOFSA-N 2 1 339.480 0.668 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000181744147 437328655 /nfs/dbraw/zinc/32/86/55/437328655.db2.gz ACIGMQGASCVEFZ-JKSUJKDBSA-N 2 1 326.485 0.959 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000181744147 437328657 /nfs/dbraw/zinc/32/86/57/437328657.db2.gz ACIGMQGASCVEFZ-JKSUJKDBSA-N 2 1 326.485 0.959 10 0 ECAEMP O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)C1C[NH+](C2CCOCC2)C1 ZINC000911418350 609865625 /nfs/dbraw/zinc/86/56/25/609865625.db2.gz LAYKUEIEEPZWOD-ZACQAIPSSA-N 2 1 337.464 0.201 10 0 ECAEMP NC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261889013 165258029 /nfs/dbraw/zinc/25/80/29/165258029.db2.gz GEFGCIWYBRUKMJ-GVDBMIGSSA-N 2 1 333.432 0.797 10 0 ECAEMP Cc1cc(C)n(C[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)n1 ZINC000261993410 165272198 /nfs/dbraw/zinc/27/21/98/165272198.db2.gz CXWSHOQXDURAPC-MRXNPFEDSA-N 2 1 335.452 0.023 10 0 ECAEMP Cc1cc(C)n(C[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)n1 ZINC000261993410 165272204 /nfs/dbraw/zinc/27/22/04/165272204.db2.gz CXWSHOQXDURAPC-MRXNPFEDSA-N 2 1 335.452 0.023 10 0 ECAEMP Cc1cc(C)n(C[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)n1 ZINC000261993407 165272376 /nfs/dbraw/zinc/27/23/76/165272376.db2.gz CXWSHOQXDURAPC-INIZCTEOSA-N 2 1 335.452 0.023 10 0 ECAEMP Cc1cc(C)n(C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)n1 ZINC000261993407 165272379 /nfs/dbraw/zinc/27/23/79/165272379.db2.gz CXWSHOQXDURAPC-INIZCTEOSA-N 2 1 335.452 0.023 10 0 ECAEMP C[NH+](C)C[C@H]1CCN(CC2(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)COC2)C1 ZINC000122591939 222119655 /nfs/dbraw/zinc/11/96/55/222119655.db2.gz SGRQQHGMVZQEMY-HDICACEKSA-N 3 1 338.540 0.770 10 0 ECAEMP C[NH+](C)C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)COC2)C1 ZINC000122591939 222119658 /nfs/dbraw/zinc/11/96/58/222119658.db2.gz SGRQQHGMVZQEMY-HDICACEKSA-N 3 1 338.540 0.770 10 0 ECAEMP C[NH+](C)C[C@@H]1CCN(CC2(C[N@H+]3CC[C@H](C[NH+](C)C)C3)COC2)C1 ZINC000122591939 222119661 /nfs/dbraw/zinc/11/96/61/222119661.db2.gz SGRQQHGMVZQEMY-HDICACEKSA-N 3 1 338.540 0.770 10 0 ECAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246013741 297096087 /nfs/dbraw/zinc/09/60/87/297096087.db2.gz UBPOLAXFBUGHQD-IEWDOMPSSA-N 2 1 336.524 0.684 10 0 ECAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246013741 297096089 /nfs/dbraw/zinc/09/60/89/297096089.db2.gz UBPOLAXFBUGHQD-IEWDOMPSSA-N 2 1 336.524 0.684 10 0 ECAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C[C@H](O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246013741 297096091 /nfs/dbraw/zinc/09/60/91/297096091.db2.gz UBPOLAXFBUGHQD-IEWDOMPSSA-N 2 1 336.524 0.684 10 0 ECAEMP Cc1cc(N2CC[N@H+](C(CO)CO)C[C@H](O)C2)c2cc(F)ccc2[nH+]1 ZINC000097654053 436543338 /nfs/dbraw/zinc/54/33/38/436543338.db2.gz RSPSKBYRPMYXSJ-HNNXBMFYSA-N 2 1 349.406 0.518 10 0 ECAEMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000065405096 436656943 /nfs/dbraw/zinc/65/69/43/436656943.db2.gz SQVOWTVUFONVCN-IEBWSBKVSA-N 3 1 328.460 0.312 10 0 ECAEMP C[NH+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000065405096 436656946 /nfs/dbraw/zinc/65/69/46/436656946.db2.gz SQVOWTVUFONVCN-IEBWSBKVSA-N 3 1 328.460 0.312 10 0 ECAEMP C[NH+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000065405096 436656949 /nfs/dbraw/zinc/65/69/49/436656949.db2.gz SQVOWTVUFONVCN-IEBWSBKVSA-N 3 1 328.460 0.312 10 0 ECAEMP Cn1cc([C@@H]2CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)cn1 ZINC000128479233 436817584 /nfs/dbraw/zinc/81/75/84/436817584.db2.gz QVAANUXHPLCIPZ-MRXNPFEDSA-N 2 1 341.463 0.951 10 0 ECAEMP Cn1cc([C@@H]2CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)cn1 ZINC000128479233 436817587 /nfs/dbraw/zinc/81/75/87/436817587.db2.gz QVAANUXHPLCIPZ-MRXNPFEDSA-N 2 1 341.463 0.951 10 0 ECAEMP COc1c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)nn1C ZINC000262256372 436919825 /nfs/dbraw/zinc/91/98/25/436919825.db2.gz QOHQORZWCVROQI-ZBFHGGJFSA-N 2 1 349.479 0.817 10 0 ECAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000309690450 437169379 /nfs/dbraw/zinc/16/93/79/437169379.db2.gz CSFSQTUMEWJMJB-GDBMZVCRSA-N 2 1 341.477 0.415 10 0 ECAEMP C[NH+](C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)Cc1ccncc1 ZINC000169790914 609746975 /nfs/dbraw/zinc/74/69/75/609746975.db2.gz QZPHCSLDASVSJC-SJLPKXTDSA-N 2 1 346.475 0.781 10 0 ECAEMP C[NH+](C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)Cc1ccncc1 ZINC000169790914 609746976 /nfs/dbraw/zinc/74/69/76/609746976.db2.gz QZPHCSLDASVSJC-SJLPKXTDSA-N 2 1 346.475 0.781 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000246837141 165145151 /nfs/dbraw/zinc/14/51/51/165145151.db2.gz CWYXFKXFEKSQIV-ZFWWWQNUSA-N 2 1 337.468 0.075 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000246837141 165145154 /nfs/dbraw/zinc/14/51/54/165145154.db2.gz CWYXFKXFEKSQIV-ZFWWWQNUSA-N 2 1 337.468 0.075 10 0 ECAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000333681321 297147195 /nfs/dbraw/zinc/14/71/95/297147195.db2.gz ZSCHKXPBBNVOEG-KBMXLJTQSA-N 2 1 349.483 0.812 10 0 ECAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)C1(C)C ZINC000249053241 436815953 /nfs/dbraw/zinc/81/59/53/436815953.db2.gz BWXCLUPBJQZFSN-ADAWSYLGSA-N 2 1 341.496 0.823 10 0 ECAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000133760168 436883683 /nfs/dbraw/zinc/88/36/83/436883683.db2.gz RBYFSFYIKLSAAI-ZWKOTPCHSA-N 2 1 347.459 0.676 10 0 ECAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000133760168 436883689 /nfs/dbraw/zinc/88/36/89/436883689.db2.gz RBYFSFYIKLSAAI-ZWKOTPCHSA-N 2 1 347.459 0.676 10 0 ECAEMP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[NH+]1CCCC1 ZINC000164126600 436931920 /nfs/dbraw/zinc/93/19/20/436931920.db2.gz PPJZCZLBWPUMLE-CABCVRRESA-N 2 1 347.525 0.765 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccnc2N(C)C)CC1 ZINC000184832523 437414482 /nfs/dbraw/zinc/41/44/82/437414482.db2.gz OXKAFHBIJZNTPJ-OAHLLOKOSA-N 2 1 335.452 0.746 10 0 ECAEMP CO[C@H]1C[C@@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)[N@H+](C)C1 ZINC000343959312 437708488 /nfs/dbraw/zinc/70/84/88/437708488.db2.gz ZRCBBZIOJIDRRW-IRXDYDNUSA-N 2 1 335.448 0.962 10 0 ECAEMP CO[C@H]1C[C@@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)[N@@H+](C)C1 ZINC000343959312 437708493 /nfs/dbraw/zinc/70/84/93/437708493.db2.gz ZRCBBZIOJIDRRW-IRXDYDNUSA-N 2 1 335.448 0.962 10 0 ECAEMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCO1 ZINC000177674576 207373715 /nfs/dbraw/zinc/37/37/15/207373715.db2.gz IZKYQIBLKKDSNW-INIZCTEOSA-N 2 1 346.431 0.360 10 0 ECAEMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCO1 ZINC000177674576 207373721 /nfs/dbraw/zinc/37/37/21/207373721.db2.gz IZKYQIBLKKDSNW-INIZCTEOSA-N 2 1 346.431 0.360 10 0 ECAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC[C@H]2CCCO2)CC1 ZINC000247165198 165155358 /nfs/dbraw/zinc/15/53/58/165155358.db2.gz MOIZWZFSRARXNA-GDBMZVCRSA-N 2 1 327.469 0.306 10 0 ECAEMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262320149 165329520 /nfs/dbraw/zinc/32/95/20/165329520.db2.gz REWBAZAZJYOELG-UHFFFAOYSA-N 2 1 329.404 0.947 10 0 ECAEMP C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000262407397 165346080 /nfs/dbraw/zinc/34/60/80/165346080.db2.gz YYOZJYIPHHYTBS-KCXAZCMYSA-N 2 1 346.431 0.452 10 0 ECAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)C1(C)C ZINC000249053252 436815071 /nfs/dbraw/zinc/81/50/71/436815071.db2.gz BWXCLUPBJQZFSN-FSZRXZPDSA-N 2 1 341.496 0.823 10 0 ECAEMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1C[C@H](C)O ZINC000248453940 436804107 /nfs/dbraw/zinc/80/41/07/436804107.db2.gz LOBVXRNAECEHEP-ARFHVFGLSA-N 2 1 338.496 0.957 10 0 ECAEMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1C[C@H](C)O ZINC000248453940 436804108 /nfs/dbraw/zinc/80/41/08/436804108.db2.gz LOBVXRNAECEHEP-ARFHVFGLSA-N 2 1 338.496 0.957 10 0 ECAEMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1C[C@H](C)O ZINC000248453940 436804110 /nfs/dbraw/zinc/80/41/10/436804110.db2.gz LOBVXRNAECEHEP-ARFHVFGLSA-N 2 1 338.496 0.957 10 0 ECAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000263193727 436956456 /nfs/dbraw/zinc/95/64/56/436956456.db2.gz IFMIWEGAGXXNBZ-ONGXEEELSA-N 2 1 329.194 0.848 10 0 ECAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000176206023 437133992 /nfs/dbraw/zinc/13/39/92/437133992.db2.gz CELWOLWEKXZGJD-HNNXBMFYSA-N 2 1 339.484 0.276 10 0 ECAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000176206023 437133997 /nfs/dbraw/zinc/13/39/97/437133997.db2.gz CELWOLWEKXZGJD-HNNXBMFYSA-N 2 1 339.484 0.276 10 0 ECAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000309690460 437169043 /nfs/dbraw/zinc/16/90/43/437169043.db2.gz CSFSQTUMEWJMJB-ZBFHGGJFSA-N 2 1 341.477 0.415 10 0 ECAEMP C[NH+]1CCN(c2ncc(CN3CC[N@@H+]4CCCC[C@H]4C3)cn2)CC1 ZINC000245566827 165108919 /nfs/dbraw/zinc/10/89/19/165108919.db2.gz TWVRMNQPHFPOGY-KRWDZBQOSA-N 2 1 330.480 0.899 10 0 ECAEMP C[NH+]1CCN(c2ncc(CN3CC[N@H+]4CCCC[C@H]4C3)cn2)CC1 ZINC000245566827 165108921 /nfs/dbraw/zinc/10/89/21/165108921.db2.gz TWVRMNQPHFPOGY-KRWDZBQOSA-N 2 1 330.480 0.899 10 0 ECAEMP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247184272 165155851 /nfs/dbraw/zinc/15/58/51/165155851.db2.gz WAJIOEQDZSKFRY-TZMCWYRMSA-N 2 1 337.424 0.517 10 0 ECAEMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247184272 165155853 /nfs/dbraw/zinc/15/58/53/165155853.db2.gz WAJIOEQDZSKFRY-TZMCWYRMSA-N 2 1 337.424 0.517 10 0 ECAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)CN3CCOCC3)C2)[nH+]1 ZINC000249806649 165202937 /nfs/dbraw/zinc/20/29/37/165202937.db2.gz BLYKSAGJXPWJDZ-SJORKVTESA-N 2 1 334.464 0.817 10 0 ECAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)CN3CCOCC3)C2)[nH+]1 ZINC000249806649 165202941 /nfs/dbraw/zinc/20/29/41/165202941.db2.gz BLYKSAGJXPWJDZ-SJORKVTESA-N 2 1 334.464 0.817 10 0 ECAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261911141 165261993 /nfs/dbraw/zinc/26/19/93/165261993.db2.gz XOZBGFLCUMVMSK-VNHYZAJKSA-N 2 1 327.469 0.744 10 0 ECAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261911141 165261997 /nfs/dbraw/zinc/26/19/97/165261997.db2.gz XOZBGFLCUMVMSK-VNHYZAJKSA-N 2 1 327.469 0.744 10 0 ECAEMP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)C[C@H]1CC ZINC000261953096 165267257 /nfs/dbraw/zinc/26/72/57/165267257.db2.gz KFAMSTBXCDENBG-HZPDHXFCSA-N 2 1 327.469 0.700 10 0 ECAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C[C@@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246012643 288306129 /nfs/dbraw/zinc/30/61/29/288306129.db2.gz UBPOLAXFBUGHQD-DQCOHUIHSA-N 2 1 336.524 0.684 10 0 ECAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000246012643 288306130 /nfs/dbraw/zinc/30/61/30/288306130.db2.gz UBPOLAXFBUGHQD-DQCOHUIHSA-N 2 1 336.524 0.684 10 0 ECAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)CN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000246012643 288306132 /nfs/dbraw/zinc/30/61/32/288306132.db2.gz UBPOLAXFBUGHQD-DQCOHUIHSA-N 2 1 336.524 0.684 10 0 ECAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)N2CCOCC2)CC1 ZINC000105862600 436581628 /nfs/dbraw/zinc/58/16/28/436581628.db2.gz RSAIVAZDHFUPSA-HNNXBMFYSA-N 2 1 327.469 0.260 10 0 ECAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000247317745 436791260 /nfs/dbraw/zinc/79/12/60/436791260.db2.gz MGSSYCWZUMRAOW-BZUAXINKSA-N 2 1 326.485 0.983 10 0 ECAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000247317745 436791264 /nfs/dbraw/zinc/79/12/64/436791264.db2.gz MGSSYCWZUMRAOW-BZUAXINKSA-N 2 1 326.485 0.983 10 0 ECAEMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000178291185 526619008 /nfs/dbraw/zinc/61/90/08/526619008.db2.gz GTFJFLOUYLVOPV-WMLDXEAASA-N 2 1 347.463 0.735 10 0 ECAEMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000178291185 526619013 /nfs/dbraw/zinc/61/90/13/526619013.db2.gz GTFJFLOUYLVOPV-WMLDXEAASA-N 2 1 347.463 0.735 10 0 ECAEMP [NH3+]CCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746195 608643673 /nfs/dbraw/zinc/64/36/73/608643673.db2.gz GMNGJWUSKFWADU-KRWDZBQOSA-N 2 1 345.491 0.833 10 0 ECAEMP C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccc[nH]2)CC12CCOCC2 ZINC000169792236 609747679 /nfs/dbraw/zinc/74/76/79/609747679.db2.gz GZZCOQBEHWVEKF-MRXNPFEDSA-N 2 1 334.464 0.921 10 0 ECAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000248666388 165183564 /nfs/dbraw/zinc/18/35/64/165183564.db2.gz WQYGCIFOQCVANZ-BZUAXINKSA-N 2 1 342.484 0.194 10 0 ECAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000248666388 165183567 /nfs/dbraw/zinc/18/35/67/165183567.db2.gz WQYGCIFOQCVANZ-BZUAXINKSA-N 2 1 342.484 0.194 10 0 ECAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000248666388 165183570 /nfs/dbraw/zinc/18/35/70/165183570.db2.gz WQYGCIFOQCVANZ-BZUAXINKSA-N 2 1 342.484 0.194 10 0 ECAEMP C[C@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1C[NH2+]C1 ZINC000262426911 165348154 /nfs/dbraw/zinc/34/81/54/165348154.db2.gz SIXTYFITHCEDOX-ZDUSSCGKSA-N 2 1 330.432 0.868 10 0 ECAEMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000193476030 263167274 /nfs/dbraw/zinc/16/72/74/263167274.db2.gz UOHYONYLJYJXSE-HOTGVXAUSA-N 2 1 326.485 0.864 10 0 ECAEMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000172330972 437010616 /nfs/dbraw/zinc/01/06/16/437010616.db2.gz BHZCBAIADUAANH-HNNXBMFYSA-N 2 1 342.484 0.459 10 0 ECAEMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000172330972 437010620 /nfs/dbraw/zinc/01/06/20/437010620.db2.gz BHZCBAIADUAANH-HNNXBMFYSA-N 2 1 342.484 0.459 10 0 ECAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1C ZINC000185964381 437457790 /nfs/dbraw/zinc/45/77/90/437457790.db2.gz ZYLGNRQZTQZMSI-LSDHHAIUSA-N 2 1 326.485 0.815 10 0 ECAEMP O=S1(=O)CCC[C@@H]([NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)C1 ZINC000685943004 549728622 /nfs/dbraw/zinc/72/86/22/549728622.db2.gz PQNSWLIAIKKERR-KGLIPLIRSA-N 2 1 325.434 0.489 10 0 ECAEMP Cc1[nH+]ccn1-c1cncc(N2C[C@@H]([NH+](C)C)[C@@H](n3ccnn3)C2)n1 ZINC000888094460 586349226 /nfs/dbraw/zinc/34/92/26/586349226.db2.gz RXJRMNBPTZMPHY-KGLIPLIRSA-N 2 1 339.407 0.554 10 0 ECAEMP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)ccn1 ZINC000886062994 590788935 /nfs/dbraw/zinc/78/89/35/590788935.db2.gz QTASOUZMBZGCOU-HNNXBMFYSA-N 2 1 347.419 0.148 10 0 ECAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000111866384 220215253 /nfs/dbraw/zinc/21/52/53/220215253.db2.gz NVCIGXYFYROQAO-HOTGVXAUSA-N 2 1 342.484 0.243 10 0 ECAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000190081389 165018181 /nfs/dbraw/zinc/01/81/81/165018181.db2.gz ZFQZBZPILIPARN-ZIAGYGMSSA-N 2 1 348.451 0.078 10 0 ECAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000193122415 165053238 /nfs/dbraw/zinc/05/32/38/165053238.db2.gz POORAHLWGCFKNH-XHSDSOJGSA-N 2 1 327.469 0.617 10 0 ECAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)C(=O)NC[C@H]2CCCO2)CC1 ZINC000247232522 165158351 /nfs/dbraw/zinc/15/83/51/165158351.db2.gz RIVJGWVGCBVAIG-YQQAZPJKSA-N 2 1 341.496 0.695 10 0 ECAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000248666390 165183703 /nfs/dbraw/zinc/18/37/03/165183703.db2.gz WQYGCIFOQCVANZ-OWCLPIDISA-N 2 1 342.484 0.194 10 0 ECAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248666390 165183706 /nfs/dbraw/zinc/18/37/06/165183706.db2.gz WQYGCIFOQCVANZ-OWCLPIDISA-N 2 1 342.484 0.194 10 0 ECAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248666390 165183708 /nfs/dbraw/zinc/18/37/08/165183708.db2.gz WQYGCIFOQCVANZ-OWCLPIDISA-N 2 1 342.484 0.194 10 0 ECAEMP C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)N1CCOCC1 ZINC000248860672 165188540 /nfs/dbraw/zinc/18/85/40/165188540.db2.gz DINONVKTZOIQEI-HRCADAONSA-N 2 1 342.484 0.506 10 0 ECAEMP COC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000262431874 165348438 /nfs/dbraw/zinc/34/84/38/165348438.db2.gz TVUNPBJMPQQQOO-KBPBESRZSA-N 2 1 334.420 0.296 10 0 ECAEMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263115242 276263089 /nfs/dbraw/zinc/26/30/89/276263089.db2.gz AOOQODYHHXLHLU-HKUYNNGSSA-N 3 1 332.492 0.889 10 0 ECAEMP CO[C@H]1C[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[N@@H+](C)C1 ZINC000345355202 298149472 /nfs/dbraw/zinc/14/94/72/298149472.db2.gz MQCGTKIBJFHMDS-IRXDYDNUSA-N 2 1 339.480 0.809 10 0 ECAEMP CO[C@H]1C[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[N@H+](C)C1 ZINC000346103285 298226050 /nfs/dbraw/zinc/22/60/50/298226050.db2.gz XYAOCUAAQAMDFF-GJZGRUSLSA-N 2 1 336.436 0.357 10 0 ECAEMP CO[C@H]1C[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[N@@H+](C)C1 ZINC000346103285 298226053 /nfs/dbraw/zinc/22/60/53/298226053.db2.gz XYAOCUAAQAMDFF-GJZGRUSLSA-N 2 1 336.436 0.357 10 0 ECAEMP O[C@@H](CN1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000069876949 435974885 /nfs/dbraw/zinc/97/48/85/435974885.db2.gz PBACCJZHGPFLSN-WOJBJXKFSA-N 2 1 344.503 0.950 10 0 ECAEMP CC(=O)N[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000125237482 436765470 /nfs/dbraw/zinc/76/54/70/436765470.db2.gz SIYMXKKEIADWCY-GEWVGOBGSA-N 2 1 336.480 0.744 10 0 ECAEMP CC(=O)N[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000125237482 436765475 /nfs/dbraw/zinc/76/54/75/436765475.db2.gz SIYMXKKEIADWCY-GEWVGOBGSA-N 2 1 336.480 0.744 10 0 ECAEMP Cn1cc([C@H]2CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)cn1 ZINC000128479460 436817545 /nfs/dbraw/zinc/81/75/45/436817545.db2.gz QVAANUXHPLCIPZ-INIZCTEOSA-N 2 1 341.463 0.951 10 0 ECAEMP Cn1cc([C@H]2CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)C2)cn1 ZINC000128479460 436817547 /nfs/dbraw/zinc/81/75/47/436817547.db2.gz QVAANUXHPLCIPZ-INIZCTEOSA-N 2 1 341.463 0.951 10 0 ECAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000246938027 436787463 /nfs/dbraw/zinc/78/74/63/436787463.db2.gz JVONCFRIHWBJDD-IKGGRYGDSA-N 2 1 337.512 0.748 10 0 ECAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000246938027 436787465 /nfs/dbraw/zinc/78/74/65/436787465.db2.gz JVONCFRIHWBJDD-IKGGRYGDSA-N 2 1 337.512 0.748 10 0 ECAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000246938027 436787466 /nfs/dbraw/zinc/78/74/66/436787466.db2.gz JVONCFRIHWBJDD-IKGGRYGDSA-N 2 1 337.512 0.748 10 0 ECAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000246938045 436787803 /nfs/dbraw/zinc/78/78/03/436787803.db2.gz JVONCFRIHWBJDD-ZACQAIPSSA-N 2 1 337.512 0.748 10 0 ECAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000246938045 436787805 /nfs/dbraw/zinc/78/78/05/436787805.db2.gz JVONCFRIHWBJDD-ZACQAIPSSA-N 2 1 337.512 0.748 10 0 ECAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000246938045 436787809 /nfs/dbraw/zinc/78/78/09/436787809.db2.gz JVONCFRIHWBJDD-ZACQAIPSSA-N 2 1 337.512 0.748 10 0 ECAEMP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@H+]1C[C@H](C)O ZINC000248487771 436803771 /nfs/dbraw/zinc/80/37/71/436803771.db2.gz LZDLAILDZWVFBJ-QLFBSQMISA-N 2 1 326.485 0.956 10 0 ECAEMP 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COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000247502529 165163429 /nfs/dbraw/zinc/16/34/29/165163429.db2.gz NVCIGXYFYROQAO-JKSUJKDBSA-N 2 1 342.484 0.243 10 0 ECAEMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000247557956 165165400 /nfs/dbraw/zinc/16/54/00/165165400.db2.gz ZUKFUAJNIJHMEP-UONOGXRCSA-N 2 1 331.416 0.527 10 0 ECAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000247557956 165165402 /nfs/dbraw/zinc/16/54/02/165165402.db2.gz ZUKFUAJNIJHMEP-UONOGXRCSA-N 2 1 331.416 0.527 10 0 ECAEMP C[NH+](C)CC(=O)N1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000158681493 436846434 /nfs/dbraw/zinc/84/64/34/436846434.db2.gz MBFPLWHUVKAUKT-UHFFFAOYSA-N 2 1 336.455 0.963 10 0 ECAEMP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1N1CCOCC1 ZINC000173969085 437071924 /nfs/dbraw/zinc/07/19/24/437071924.db2.gz UQNTUFYCUHGJBA-DLBZAZTESA-N 2 1 339.480 0.668 10 0 ECAEMP COCC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175682909 437113188 /nfs/dbraw/zinc/11/31/88/437113188.db2.gz MSKAKRMFRSDBMU-HZPDHXFCSA-N 2 1 342.484 0.317 10 0 ECAEMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175682909 437113192 /nfs/dbraw/zinc/11/31/92/437113192.db2.gz MSKAKRMFRSDBMU-HZPDHXFCSA-N 2 1 342.484 0.317 10 0 ECAEMP COCC[N@H+](C)CCCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175682870 437113760 /nfs/dbraw/zinc/11/37/60/437113760.db2.gz MSKAKRMFRSDBMU-CVEARBPZSA-N 2 1 342.484 0.317 10 0 ECAEMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175682870 437113766 /nfs/dbraw/zinc/11/37/66/437113766.db2.gz MSKAKRMFRSDBMU-CVEARBPZSA-N 2 1 342.484 0.317 10 0 ECAEMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1C[NH2+]CCOC1 ZINC000643790107 440316046 /nfs/dbraw/zinc/31/60/46/440316046.db2.gz RMIOGKMTCVRZGN-MSOLQXFVSA-N 2 1 347.459 0.630 10 0 ECAEMP [NH3+]C1(CC(=O)N2CCO[C@@H](CO)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000637986343 440387467 /nfs/dbraw/zinc/38/74/67/440387467.db2.gz JDMPCFSASKAMLE-QGZVFWFLSA-N 2 1 347.459 0.590 10 0 ECAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)C1 ZINC000178884316 545880028 /nfs/dbraw/zinc/88/00/28/545880028.db2.gz OBTHXQDPTUUCMK-ZACQAIPSSA-N 2 1 338.496 0.367 10 0 ECAEMP CS(=O)(=O)NCCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000886050513 590788712 /nfs/dbraw/zinc/78/87/12/590788712.db2.gz VRKDSNBWVFMPBD-MRXNPFEDSA-N 2 1 340.493 0.965 10 0 ECAEMP CS(=O)(=O)NCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000886050513 590788715 /nfs/dbraw/zinc/78/87/15/590788715.db2.gz VRKDSNBWVFMPBD-MRXNPFEDSA-N 2 1 340.493 0.965 10 0 ECAEMP O[C@@H](CN1CC[NH+]2CCCC[C@@H]2C1)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248756370 165186188 /nfs/dbraw/zinc/18/61/88/165186188.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 1 336.524 0.688 10 0 ECAEMP O[C@@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000248756370 165186190 /nfs/dbraw/zinc/18/61/90/165186190.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 1 336.524 0.688 10 0 ECAEMP O[C@@H](CN1CC[N@H+]2CCCC[C@@H]2C1)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000248756370 165186191 /nfs/dbraw/zinc/18/61/91/165186191.db2.gz WSOWFTANSAIEOW-BWTSREIZSA-N 2 1 336.524 0.688 10 0 ECAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000248857360 165188324 /nfs/dbraw/zinc/18/83/24/165188324.db2.gz POORAHLWGCFKNH-ARFHVFGLSA-N 2 1 327.469 0.617 10 0 ECAEMP O=C(CCN1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ccccn2)CC1 ZINC000252321819 165208412 /nfs/dbraw/zinc/20/84/12/165208412.db2.gz ZBODKUJZTZIFHK-KRWDZBQOSA-N 2 1 343.475 0.900 10 0 ECAEMP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261872441 165256276 /nfs/dbraw/zinc/25/62/76/165256276.db2.gz LNCSCPXLOIPTDS-HUUCEWRRSA-N 2 1 345.509 0.390 10 0 ECAEMP CC(C)S(=O)(=O)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261872441 165256278 /nfs/dbraw/zinc/25/62/78/165256278.db2.gz LNCSCPXLOIPTDS-HUUCEWRRSA-N 2 1 345.509 0.390 10 0 ECAEMP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261958390 165269237 /nfs/dbraw/zinc/26/92/37/165269237.db2.gz PFNUUXFBSKYHHO-RBSFLKMASA-N 2 1 333.498 0.405 10 0 ECAEMP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000262352601 165334360 /nfs/dbraw/zinc/33/43/60/165334360.db2.gz UQRAHSQRVBEBGS-ZQIUZPCESA-N 2 1 335.448 0.886 10 0 ECAEMP C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262575180 165364856 /nfs/dbraw/zinc/36/48/56/165364856.db2.gz YBHUNADLTVEOFI-CYBMUJFWSA-N 2 1 327.450 0.787 10 0 ECAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000123535375 222292998 /nfs/dbraw/zinc/29/29/98/222292998.db2.gz MGSSYCWZUMRAOW-OAGGEKHMSA-N 2 1 326.485 0.983 10 0 ECAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000123535375 222292999 /nfs/dbraw/zinc/29/29/99/222292999.db2.gz MGSSYCWZUMRAOW-OAGGEKHMSA-N 2 1 326.485 0.983 10 0 ECAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC3OCCO3)CC2)C1 ZINC000124178778 222387758 /nfs/dbraw/zinc/38/77/58/222387758.db2.gz SLTPNHBEGZZXJF-MRXNPFEDSA-N 2 1 327.469 0.476 10 0 ECAEMP C[C@H](O)C[N@@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000245785026 278295326 /nfs/dbraw/zinc/29/53/26/278295326.db2.gz VBEUVCAISAETPY-HOTGVXAUSA-N 2 1 348.495 0.115 10 0 ECAEMP C[C@H](O)C[N@H+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000245785026 278295327 /nfs/dbraw/zinc/29/53/27/278295327.db2.gz VBEUVCAISAETPY-HOTGVXAUSA-N 2 1 348.495 0.115 10 0 ECAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000176339607 279298333 /nfs/dbraw/zinc/29/83/33/279298333.db2.gz RAIHADYDVCLXFO-JKSUJKDBSA-N 2 1 325.501 0.748 10 0 ECAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000105915614 436585785 /nfs/dbraw/zinc/58/57/85/436585785.db2.gz MOIZWZFSRARXNA-ZBFHGGJFSA-N 2 1 327.469 0.306 10 0 ECAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000123214567 436739600 /nfs/dbraw/zinc/73/96/00/436739600.db2.gz IYZYGAGGTZEMRH-ZACQAIPSSA-N 2 1 339.528 0.898 10 0 ECAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000123214567 436739602 /nfs/dbraw/zinc/73/96/02/436739602.db2.gz IYZYGAGGTZEMRH-ZACQAIPSSA-N 2 1 339.528 0.898 10 0 ECAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000123214567 436739605 /nfs/dbraw/zinc/73/96/05/436739605.db2.gz IYZYGAGGTZEMRH-ZACQAIPSSA-N 2 1 339.528 0.898 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000248461809 436804651 /nfs/dbraw/zinc/80/46/51/436804651.db2.gz VJRDUUUPJQAAEP-CVEARBPZSA-N 2 1 326.485 0.816 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000248461809 436804653 /nfs/dbraw/zinc/80/46/53/436804653.db2.gz VJRDUUUPJQAAEP-CVEARBPZSA-N 2 1 326.485 0.816 10 0 ECAEMP Cc1cccc(N2CCC(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)[nH+]1 ZINC000263252899 436958955 /nfs/dbraw/zinc/95/89/55/436958955.db2.gz POPRZTHXBMKBCN-KRWDZBQOSA-N 2 1 347.463 0.575 10 0 ECAEMP C[N@@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000172583521 437021111 /nfs/dbraw/zinc/02/11/11/437021111.db2.gz FWEOBHWEYDZETB-CABCVRRESA-N 2 1 345.443 0.917 10 0 ECAEMP C[NH+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583521 437021113 /nfs/dbraw/zinc/02/11/13/437021113.db2.gz FWEOBHWEYDZETB-CABCVRRESA-N 2 1 345.443 0.917 10 0 ECAEMP C[NH+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583521 437021115 /nfs/dbraw/zinc/02/11/15/437021115.db2.gz FWEOBHWEYDZETB-CABCVRRESA-N 2 1 345.443 0.917 10 0 ECAEMP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000171899999 436991089 /nfs/dbraw/zinc/99/10/89/436991089.db2.gz VIMWDINLELVVRF-IAGOWNOFSA-N 2 1 337.512 0.748 10 0 ECAEMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000171899999 436991092 /nfs/dbraw/zinc/99/10/92/436991092.db2.gz VIMWDINLELVVRF-IAGOWNOFSA-N 2 1 337.512 0.748 10 0 ECAEMP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000171899999 436991094 /nfs/dbraw/zinc/99/10/94/436991094.db2.gz VIMWDINLELVVRF-IAGOWNOFSA-N 2 1 337.512 0.748 10 0 ECAEMP CC[C@H](O)CN1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000184834134 437412699 /nfs/dbraw/zinc/41/26/99/437412699.db2.gz VJRDUUUPJQAAEP-HOTGVXAUSA-N 2 1 326.485 0.816 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000184834134 437412704 /nfs/dbraw/zinc/41/27/04/437412704.db2.gz VJRDUUUPJQAAEP-HOTGVXAUSA-N 2 1 326.485 0.816 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2cccnc2N(C)C)CC1 ZINC000184832508 437414449 /nfs/dbraw/zinc/41/44/49/437414449.db2.gz OXKAFHBIJZNTPJ-HNNXBMFYSA-N 2 1 335.452 0.746 10 0 ECAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662741149 439867036 /nfs/dbraw/zinc/86/70/36/439867036.db2.gz DAWLRZPDZLDWHU-ROUUACIJSA-N 2 1 330.476 0.918 10 0 ECAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662741149 439867039 /nfs/dbraw/zinc/86/70/39/439867039.db2.gz DAWLRZPDZLDWHU-ROUUACIJSA-N 2 1 330.476 0.918 10 0 ECAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000263116745 545949135 /nfs/dbraw/zinc/94/91/35/545949135.db2.gz AQLHHXSTFQYPRR-BXKDBHETSA-N 2 1 325.210 0.767 10 0 ECAEMP [NH3+]CC1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000261893448 165259110 /nfs/dbraw/zinc/25/91/10/165259110.db2.gz AMQNIOOROWIDQL-UHFFFAOYSA-N 2 1 347.459 0.891 10 0 ECAEMP CN(C)c1nc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000261774101 276903005 /nfs/dbraw/zinc/90/30/05/276903005.db2.gz XGYZXUNEQNDXSG-KGLIPLIRSA-N 2 1 332.452 0.627 10 0 ECAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000248645763 436807117 /nfs/dbraw/zinc/80/71/17/436807117.db2.gz SKVWQSOJJFLVIK-CAOSSQGBSA-N 2 1 326.485 0.956 10 0 ECAEMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246691766 436783892 /nfs/dbraw/zinc/78/38/92/436783892.db2.gz FDXLUTZVJFQMDO-WBVHZDCISA-N 2 1 336.480 0.977 10 0 ECAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000247242945 436791473 /nfs/dbraw/zinc/79/14/73/436791473.db2.gz YBCSUHUDIJMLJE-SJORKVTESA-N 2 1 337.512 0.750 10 0 ECAEMP C(N1CC[NH+]2CCC[C@H]2C1)C1(CN2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000248424220 436802289 /nfs/dbraw/zinc/80/22/89/436802289.db2.gz NJXDAFXSJUFRBC-ROUUACIJSA-N 2 1 334.508 0.563 10 0 ECAEMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000172196061 437002072 /nfs/dbraw/zinc/00/20/72/437002072.db2.gz ZUKFUAJNIJHMEP-KBPBESRZSA-N 2 1 331.416 0.527 10 0 ECAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000172196061 437002075 /nfs/dbraw/zinc/00/20/75/437002075.db2.gz ZUKFUAJNIJHMEP-KBPBESRZSA-N 2 1 331.416 0.527 10 0 ECAEMP CCOCCNC(=O)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000175961216 437125514 /nfs/dbraw/zinc/12/55/14/437125514.db2.gz ZEOZIXDPGQOLCP-UHFFFAOYSA-N 2 1 337.468 0.432 10 0 ECAEMP CCOCCNC(=O)C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000175961216 437125521 /nfs/dbraw/zinc/12/55/21/437125521.db2.gz ZEOZIXDPGQOLCP-UHFFFAOYSA-N 2 1 337.468 0.432 10 0 ECAEMP CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000182441131 437350461 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330.473 0.051 10 0 ECAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185475560 437441079 /nfs/dbraw/zinc/44/10/79/437441079.db2.gz AXVXHGVGEUZJOM-HUUCEWRRSA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000184708021 320534275 /nfs/dbraw/zinc/53/42/75/320534275.db2.gz KOYPLDWBQOGJNL-INIZCTEOSA-N 2 1 326.485 0.957 10 0 ECAEMP C[NH+](C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccncn1 ZINC000169781363 609745824 /nfs/dbraw/zinc/74/58/24/609745824.db2.gz FUXGKGQXTPQKTK-CZUORRHYSA-N 2 1 333.436 0.247 10 0 ECAEMP C[NH+](C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccncn1 ZINC000169781363 609745826 /nfs/dbraw/zinc/74/58/26/609745826.db2.gz FUXGKGQXTPQKTK-CZUORRHYSA-N 2 1 333.436 0.247 10 0 ECAEMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246183168 165125211 /nfs/dbraw/zinc/12/52/11/165125211.db2.gz UHVAKSVSBBEEQM-BFYDXBDKSA-N 2 1 336.480 0.833 10 0 ECAEMP 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435973971 /nfs/dbraw/zinc/97/39/71/435973971.db2.gz PBACCJZHGPFLSN-UXHICEINSA-N 2 1 344.503 0.950 10 0 ECAEMP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)CC1 ZINC000067654562 302386682 /nfs/dbraw/zinc/38/66/82/302386682.db2.gz FWYWJAHRQFBZPA-VQIMIIECSA-N 3 1 343.475 0.580 10 0 ECAEMP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)CC1 ZINC000067654562 302386685 /nfs/dbraw/zinc/38/66/85/302386685.db2.gz FWYWJAHRQFBZPA-VQIMIIECSA-N 2 1 343.475 0.580 10 0 ECAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000154473686 436779450 /nfs/dbraw/zinc/77/94/50/436779450.db2.gz NGJNZBFIXWHYGE-CQSZACIVSA-N 2 1 348.451 0.080 10 0 ECAEMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000154473686 436779453 /nfs/dbraw/zinc/77/94/53/436779453.db2.gz NGJNZBFIXWHYGE-CQSZACIVSA-N 2 1 348.451 0.080 10 0 ECAEMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000173418494 437049149 /nfs/dbraw/zinc/04/91/49/437049149.db2.gz FVTUSFLHTIZHMD-KBPBESRZSA-N 2 1 348.451 0.324 10 0 ECAEMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCN2c2cc(NC)ncn2)C1 ZINC000173418494 437049153 /nfs/dbraw/zinc/04/91/53/437049153.db2.gz FVTUSFLHTIZHMD-KBPBESRZSA-N 2 1 348.451 0.324 10 0 ECAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000173505426 437053732 /nfs/dbraw/zinc/05/37/32/437053732.db2.gz YBCSUHUDIJMLJE-IAGOWNOFSA-N 2 1 337.512 0.750 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000341629831 437875489 /nfs/dbraw/zinc/87/54/89/437875489.db2.gz GDBXVCIEBSLJJU-ILXRZTDVSA-N 2 1 326.485 0.956 10 0 ECAEMP C[N@H+]1CC2(C[C@H]1C(=O)NCc1cn3c(n1)SCC3)CC[NH2+]CC2 ZINC000072468840 216249253 /nfs/dbraw/zinc/24/92/53/216249253.db2.gz DMLRCVWSMOCXMR-ZDUSSCGKSA-N 2 1 335.477 0.679 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000248508721 296736395 /nfs/dbraw/zinc/73/63/95/296736395.db2.gz YGZXTNNTCYBJPK-XHSDSOJGSA-N 2 1 326.485 0.957 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000248508720 296736435 /nfs/dbraw/zinc/73/64/35/296736435.db2.gz YGZXTNNTCYBJPK-OAGGEKHMSA-N 2 1 326.485 0.957 10 0 ECAEMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)C1 ZINC000262027333 165278774 /nfs/dbraw/zinc/27/87/74/165278774.db2.gz BBXFDXIFTCKXKT-WBVHZDCISA-N 2 1 338.496 0.095 10 0 ECAEMP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000245979886 436770069 /nfs/dbraw/zinc/77/00/69/436770069.db2.gz GSHSGCBVPXGWNL-HUUCEWRRSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000245979886 436770071 /nfs/dbraw/zinc/77/00/71/436770071.db2.gz GSHSGCBVPXGWNL-HUUCEWRRSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000245979886 436770073 /nfs/dbraw/zinc/77/00/73/436770073.db2.gz GSHSGCBVPXGWNL-HUUCEWRRSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000245979886 436770076 /nfs/dbraw/zinc/77/00/76/436770076.db2.gz GSHSGCBVPXGWNL-HUUCEWRRSA-N 2 1 340.468 0.750 10 0 ECAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000247317752 436791637 /nfs/dbraw/zinc/79/16/37/436791637.db2.gz MGSSYCWZUMRAOW-OWCLPIDISA-N 2 1 326.485 0.983 10 0 ECAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000247317752 436791639 /nfs/dbraw/zinc/79/16/39/436791639.db2.gz MGSSYCWZUMRAOW-OWCLPIDISA-N 2 1 326.485 0.983 10 0 ECAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)COC2CCOCC2)CC1 ZINC000127505713 436803999 /nfs/dbraw/zinc/80/39/99/436803999.db2.gz YQIXAKOYDVNXMF-WBVHZDCISA-N 2 1 344.496 0.568 10 0 ECAEMP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181073491 437310023 /nfs/dbraw/zinc/31/00/23/437310023.db2.gz GSHSGCBVPXGWNL-GJZGRUSLSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181073491 437310026 /nfs/dbraw/zinc/31/00/26/437310026.db2.gz GSHSGCBVPXGWNL-GJZGRUSLSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181073491 437310031 /nfs/dbraw/zinc/31/00/31/437310031.db2.gz GSHSGCBVPXGWNL-GJZGRUSLSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000181073491 437310034 /nfs/dbraw/zinc/31/00/34/437310034.db2.gz GSHSGCBVPXGWNL-GJZGRUSLSA-N 2 1 340.468 0.750 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000185035923 437422835 /nfs/dbraw/zinc/42/28/35/437422835.db2.gz HKIXSBDPRGZTQU-CABCVRRESA-N 2 1 326.485 0.957 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[N@H+](CC)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000185035923 437422840 /nfs/dbraw/zinc/42/28/40/437422840.db2.gz HKIXSBDPRGZTQU-CABCVRRESA-N 2 1 326.485 0.957 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[N@@H+](CC)C2CC2)CC[NH+]1C[C@@H](C)O ZINC000185035923 437422843 /nfs/dbraw/zinc/42/28/43/437422843.db2.gz HKIXSBDPRGZTQU-CABCVRRESA-N 2 1 326.485 0.957 10 0 ECAEMP C[NH2+][C@H]1C(F)=CC=C[C@H]1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000888094224 586349219 /nfs/dbraw/zinc/34/92/19/586349219.db2.gz FYRWVPLHGGAAGB-REBRKWNGSA-N 2 1 334.399 0.219 10 0 ECAEMP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261872440 165254535 /nfs/dbraw/zinc/25/45/35/165254535.db2.gz LNCSCPXLOIPTDS-GJZGRUSLSA-N 2 1 345.509 0.390 10 0 ECAEMP CC(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261872440 165254538 /nfs/dbraw/zinc/25/45/38/165254538.db2.gz LNCSCPXLOIPTDS-GJZGRUSLSA-N 2 1 345.509 0.390 10 0 ECAEMP CCOCCN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1CC ZINC000262228215 165311757 /nfs/dbraw/zinc/31/17/57/165311757.db2.gz VDPPOCUDICJMML-MRXNPFEDSA-N 2 1 326.485 0.241 10 0 ECAEMP CCOCC[N@@H+]1CCN(CCC(=O)N2CC[NH2+]CC2)C[C@H]1CC ZINC000262228215 165311758 /nfs/dbraw/zinc/31/17/58/165311758.db2.gz VDPPOCUDICJMML-MRXNPFEDSA-N 2 1 326.485 0.241 10 0 ECAEMP CCOCC[N@H+]1CCN(CCC(=O)N2CC[NH2+]CC2)C[C@H]1CC ZINC000262228215 165311763 /nfs/dbraw/zinc/31/17/63/165311763.db2.gz VDPPOCUDICJMML-MRXNPFEDSA-N 2 1 326.485 0.241 10 0 ECAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000178322597 263154157 /nfs/dbraw/zinc/15/41/57/263154157.db2.gz WBLALECPQUIXMS-BBRMVZONSA-N 2 1 347.463 0.768 10 0 ECAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000178322597 263154158 /nfs/dbraw/zinc/15/41/58/263154158.db2.gz WBLALECPQUIXMS-BBRMVZONSA-N 2 1 347.463 0.768 10 0 ECAEMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247232513 289355364 /nfs/dbraw/zinc/35/53/64/289355364.db2.gz RIVJGWVGCBVAIG-UXLLHSPISA-N 2 1 341.496 0.695 10 0 ECAEMP [NH3+]CCCCCCCCCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO ZINC000044960154 436356550 /nfs/dbraw/zinc/35/65/50/436356550.db2.gz XUKDCKJRAWVROB-WNRNVDISSA-N 2 1 346.512 0.605 10 0 in-vitro ECAEMP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000116794698 436653075 /nfs/dbraw/zinc/65/30/75/436653075.db2.gz XTTSGMQIVUFIKD-TWMKSMIVSA-N 2 1 341.496 0.909 10 0 ECAEMP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000116794698 436653079 /nfs/dbraw/zinc/65/30/79/436653079.db2.gz XTTSGMQIVUFIKD-TWMKSMIVSA-N 2 1 341.496 0.909 10 0 ECAEMP CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000117604619 436658731 /nfs/dbraw/zinc/65/87/31/436658731.db2.gz MUHIDEMORAGKNO-CYBMUJFWSA-N 2 1 326.441 0.359 10 0 ECAEMP CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000117604619 436658732 /nfs/dbraw/zinc/65/87/32/436658732.db2.gz MUHIDEMORAGKNO-CYBMUJFWSA-N 2 1 326.441 0.359 10 0 ECAEMP CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247577369 436795617 /nfs/dbraw/zinc/79/56/17/436795617.db2.gz XTTSGMQIVUFIKD-YVSFHVDLSA-N 2 1 341.496 0.909 10 0 ECAEMP CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247577369 436795619 /nfs/dbraw/zinc/79/56/19/436795619.db2.gz XTTSGMQIVUFIKD-YVSFHVDLSA-N 2 1 341.496 0.909 10 0 ECAEMP CC[C@@H](C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC000164200720 436930489 /nfs/dbraw/zinc/93/04/89/436930489.db2.gz HXQYOBQNDOXDLZ-IRXDYDNUSA-N 2 1 340.512 0.580 10 0 ECAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000263288511 436961033 /nfs/dbraw/zinc/96/10/33/436961033.db2.gz VKGCRILEMSBEAY-TZMCWYRMSA-N 2 1 330.388 0.518 10 0 ECAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171642912 436984039 /nfs/dbraw/zinc/98/40/39/436984039.db2.gz GNMMSQRUZPZJPR-SJORKVTESA-N 2 1 338.496 0.239 10 0 ECAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171642912 436984042 /nfs/dbraw/zinc/98/40/42/436984042.db2.gz GNMMSQRUZPZJPR-SJORKVTESA-N 2 1 338.496 0.239 10 0 ECAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171642912 436984044 /nfs/dbraw/zinc/98/40/44/436984044.db2.gz GNMMSQRUZPZJPR-SJORKVTESA-N 2 1 338.496 0.239 10 0 ECAEMP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C(F)(F)F)CC1 ZINC000299740549 437107245 /nfs/dbraw/zinc/10/72/45/437107245.db2.gz BNZAZPGQKBAELP-VXGBXAGGSA-N 2 1 345.369 0.809 10 0 ECAEMP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C(F)(F)F)CC1 ZINC000299740549 437107249 /nfs/dbraw/zinc/10/72/49/437107249.db2.gz BNZAZPGQKBAELP-VXGBXAGGSA-N 2 1 345.369 0.809 10 0 ECAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000181919196 437332512 /nfs/dbraw/zinc/33/25/12/437332512.db2.gz YGZXTNNTCYBJPK-JYJNAYRXSA-N 2 1 326.485 0.957 10 0 ECAEMP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[NH+]1CCOCC1 ZINC000261647231 282236921 /nfs/dbraw/zinc/23/69/21/282236921.db2.gz DXMXKGWTMXLJOE-SJORKVTESA-N 2 1 341.496 0.994 10 0 ECAEMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261926118 165263547 /nfs/dbraw/zinc/26/35/47/165263547.db2.gz ZFCXACWDRSLODK-HNNXBMFYSA-N 2 1 329.404 0.946 10 0 ECAEMP NS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262471389 165354061 /nfs/dbraw/zinc/35/40/61/165354061.db2.gz JGWJJXXZGFZGRQ-NILFDRSVSA-N 2 1 325.434 0.382 10 0 ECAEMP CNC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000096112960 436513335 /nfs/dbraw/zinc/51/33/35/436513335.db2.gz AKVUCMLPYGXFFB-LSDHHAIUSA-N 2 1 326.485 0.632 10 0 ECAEMP CC(C)[N@@H+](C)CC(=O)N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000105818530 436579708 /nfs/dbraw/zinc/57/97/08/436579708.db2.gz YZIKRKZLKFRZBE-KRWDZBQOSA-N 2 1 340.512 0.580 10 0 ECAEMP CC(C)[NH+](C)CC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105818530 436579711 /nfs/dbraw/zinc/57/97/11/436579711.db2.gz YZIKRKZLKFRZBE-KRWDZBQOSA-N 2 1 340.512 0.580 10 0 ECAEMP CC(C)[NH+](C)CC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105818530 436579712 /nfs/dbraw/zinc/57/97/12/436579712.db2.gz YZIKRKZLKFRZBE-KRWDZBQOSA-N 2 1 340.512 0.580 10 0 ECAEMP Cn1cc(C[N@@H+]2CCCN(C(=O)NC3CC[NH+](C)CC3)CC2)cn1 ZINC000115784314 436648474 /nfs/dbraw/zinc/64/84/74/436648474.db2.gz OJEDIXLKJKRAIF-UHFFFAOYSA-N 2 1 334.468 0.732 10 0 ECAEMP Cn1cc(C[N@H+]2CCCN(C(=O)NC3CC[NH+](C)CC3)CC2)cn1 ZINC000115784314 436648475 /nfs/dbraw/zinc/64/84/75/436648475.db2.gz OJEDIXLKJKRAIF-UHFFFAOYSA-N 2 1 334.468 0.732 10 0 ECAEMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000245683521 436766365 /nfs/dbraw/zinc/76/63/65/436766365.db2.gz AEYSFMFIHUDTQA-RDJZCZTQSA-N 2 1 330.480 0.897 10 0 ECAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000245683521 436766367 /nfs/dbraw/zinc/76/63/67/436766367.db2.gz AEYSFMFIHUDTQA-RDJZCZTQSA-N 2 1 330.480 0.897 10 0 ECAEMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247010376 436789024 /nfs/dbraw/zinc/78/90/24/436789024.db2.gz RNEKGYIYRBDKJP-HLLBOEOZSA-N 2 1 341.496 0.693 10 0 ECAEMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247010376 436789026 /nfs/dbraw/zinc/78/90/26/436789026.db2.gz RNEKGYIYRBDKJP-HLLBOEOZSA-N 2 1 341.496 0.693 10 0 ECAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176410281 437142296 /nfs/dbraw/zinc/14/22/96/437142296.db2.gz OSVSWMDUHFMHQD-SJORKVTESA-N 2 1 339.528 0.996 10 0 ECAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000176410281 437142300 /nfs/dbraw/zinc/14/23/00/437142300.db2.gz OSVSWMDUHFMHQD-SJORKVTESA-N 2 1 339.528 0.996 10 0 ECAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000309690454 437170992 /nfs/dbraw/zinc/17/09/92/437170992.db2.gz CSFSQTUMEWJMJB-GOEBONIOSA-N 2 1 341.477 0.415 10 0 ECAEMP C[NH2+][C@H]1C(F)=CC=C[C@@H]1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000888094223 586349092 /nfs/dbraw/zinc/34/90/92/586349092.db2.gz FYRWVPLHGGAAGB-PMOUVXMZSA-N 2 1 334.399 0.219 10 0 ECAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000171588638 609762289 /nfs/dbraw/zinc/76/22/89/609762289.db2.gz WXBUWDLSBPZOTI-CABCVRRESA-N 2 1 327.469 0.258 10 0 ECAEMP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000111213044 220112751 /nfs/dbraw/zinc/11/27/51/220112751.db2.gz VXLWHZLWYZPUQR-CQSZACIVSA-N 2 1 334.420 0.803 10 0 ECAEMP COC(=O)CNC(=O)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000111213044 220112755 /nfs/dbraw/zinc/11/27/55/220112755.db2.gz VXLWHZLWYZPUQR-CQSZACIVSA-N 2 1 334.420 0.803 10 0 ECAEMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000247315974 165159175 /nfs/dbraw/zinc/15/91/75/165159175.db2.gz OIWMMWSONPYHGB-CABCVRRESA-N 2 1 337.468 0.029 10 0 ECAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000247315974 165159180 /nfs/dbraw/zinc/15/91/80/165159180.db2.gz OIWMMWSONPYHGB-CABCVRRESA-N 2 1 337.468 0.029 10 0 ECAEMP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261635890 165219212 /nfs/dbraw/zinc/21/92/12/165219212.db2.gz FGQIKWQOKDZKMY-ZACQAIPSSA-N 2 1 344.459 0.385 10 0 ECAEMP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261635890 165219216 /nfs/dbraw/zinc/21/92/16/165219216.db2.gz FGQIKWQOKDZKMY-ZACQAIPSSA-N 2 1 344.459 0.385 10 0 ECAEMP CN(C)c1nc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cc[nH+]1 ZINC000261683425 165226736 /nfs/dbraw/zinc/22/67/36/165226736.db2.gz HDGTZJRJFLPKCS-ZIAGYGMSSA-N 2 1 332.452 0.566 10 0 ECAEMP COc1c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)nn1C ZINC000262256371 165318555 /nfs/dbraw/zinc/31/85/55/165318555.db2.gz QOHQORZWCVROQI-HOCLYGCPSA-N 2 1 349.479 0.817 10 0 ECAEMP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262285201 165322244 /nfs/dbraw/zinc/32/22/44/165322244.db2.gz MHMLKSDLPACOPH-HIFRSBDPSA-N 2 1 334.420 0.296 10 0 ECAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000105862556 290084974 /nfs/dbraw/zinc/08/49/74/290084974.db2.gz KLXUWMFRVXXNRA-ZDUSSCGKSA-N 2 1 340.468 0.341 10 0 ECAEMP COCCc1noc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862781 436581514 /nfs/dbraw/zinc/58/15/14/436581514.db2.gz XJXFYLXFBKYGCD-CYBMUJFWSA-N 2 1 326.441 0.783 10 0 ECAEMP COCCc1noc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862781 436581517 /nfs/dbraw/zinc/58/15/17/436581517.db2.gz XJXFYLXFBKYGCD-CYBMUJFWSA-N 2 1 326.441 0.783 10 0 ECAEMP CCOCC[N@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@H]1CC ZINC000121002709 436704229 /nfs/dbraw/zinc/70/42/29/436704229.db2.gz BRTPFDPHQKBXPZ-MRXNPFEDSA-N 2 1 326.485 0.193 10 0 ECAEMP CCOCC[N@H+]1CCN(CC(=O)N2CCN(C)CC2)C[C@@H]1CC ZINC000121002866 436705341 /nfs/dbraw/zinc/70/53/41/436705341.db2.gz BRTPFDPHQKBXPZ-INIZCTEOSA-N 2 1 326.485 0.193 10 0 ECAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000195275537 436685465 /nfs/dbraw/zinc/68/54/65/436685465.db2.gz KHEYYKMDHVMPRR-MRXNPFEDSA-N 2 1 345.447 0.777 10 0 ECAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC000195275537 436685468 /nfs/dbraw/zinc/68/54/68/436685468.db2.gz KHEYYKMDHVMPRR-MRXNPFEDSA-N 2 1 345.447 0.777 10 0 ECAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000195275537 436685470 /nfs/dbraw/zinc/68/54/70/436685470.db2.gz KHEYYKMDHVMPRR-MRXNPFEDSA-N 2 1 345.447 0.777 10 0 ECAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000195275537 436685473 /nfs/dbraw/zinc/68/54/73/436685473.db2.gz KHEYYKMDHVMPRR-MRXNPFEDSA-N 2 1 345.447 0.777 10 0 ECAEMP CC(C)[N@H+]1C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000123214790 436738274 /nfs/dbraw/zinc/73/82/74/436738274.db2.gz IYZYGAGGTZEMRH-IKGGRYGDSA-N 2 1 339.528 0.898 10 0 ECAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000123214790 436738278 /nfs/dbraw/zinc/73/82/78/436738278.db2.gz IYZYGAGGTZEMRH-IKGGRYGDSA-N 2 1 339.528 0.898 10 0 ECAEMP CC(C)[N@H+]1C[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000123214790 436738281 /nfs/dbraw/zinc/73/82/81/436738281.db2.gz IYZYGAGGTZEMRH-IKGGRYGDSA-N 2 1 339.528 0.898 10 0 ECAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1C ZINC000248645767 436808282 /nfs/dbraw/zinc/80/82/82/436808282.db2.gz SKVWQSOJJFLVIK-QKPAOTATSA-N 2 1 326.485 0.956 10 0 ECAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)C1(C)C ZINC000249053248 436816034 /nfs/dbraw/zinc/81/60/34/436816034.db2.gz BWXCLUPBJQZFSN-BORJPKMPSA-N 2 1 341.496 0.823 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@H+]1C[C@H](C)O ZINC000248448238 436803522 /nfs/dbraw/zinc/80/35/22/436803522.db2.gz HKIXSBDPRGZTQU-GJZGRUSLSA-N 2 1 326.485 0.957 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[N@H+](CC)C2CC2)CC[NH+]1C[C@H](C)O ZINC000248448238 436803525 /nfs/dbraw/zinc/80/35/25/436803525.db2.gz HKIXSBDPRGZTQU-GJZGRUSLSA-N 2 1 326.485 0.957 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[N@@H+](CC)C2CC2)CC[NH+]1C[C@H](C)O ZINC000248448238 436803528 /nfs/dbraw/zinc/80/35/28/436803528.db2.gz HKIXSBDPRGZTQU-GJZGRUSLSA-N 2 1 326.485 0.957 10 0 ECAEMP CN(c1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)C1CC[NH+](C)CC1 ZINC000263146606 436951814 /nfs/dbraw/zinc/95/18/14/436951814.db2.gz CSRZUXPFYIRUAW-VQIMIIECSA-N 3 1 332.492 0.887 10 0 ECAEMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000178752374 437230042 /nfs/dbraw/zinc/23/00/42/437230042.db2.gz GKJLCGBITSLICG-IRXDYDNUSA-N 2 1 347.463 0.783 10 0 ECAEMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000178752374 437230047 /nfs/dbraw/zinc/23/00/47/437230047.db2.gz GKJLCGBITSLICG-IRXDYDNUSA-N 2 1 347.463 0.783 10 0 ECAEMP CO[C@H]1CCN([C@H]2CCC[C@H]2[NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000886082597 590792432 /nfs/dbraw/zinc/79/24/32/590792432.db2.gz UFVSUTLHQAYQAP-BBWFWOEESA-N 2 1 338.496 0.382 10 0 ECAEMP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000178756750 609009057 /nfs/dbraw/zinc/00/90/57/609009057.db2.gz ZYKUBOJBVGZVFW-DLBZAZTESA-N 2 1 349.500 0.959 10 0 ECAEMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000119158833 221256255 /nfs/dbraw/zinc/25/62/55/221256255.db2.gz OYZQTMRWRLXYQT-UONOGXRCSA-N 2 1 347.525 0.765 10 0 ECAEMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000119158833 221256256 /nfs/dbraw/zinc/25/62/56/221256256.db2.gz OYZQTMRWRLXYQT-UONOGXRCSA-N 2 1 347.525 0.765 10 0 ECAEMP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516266 165085371 /nfs/dbraw/zinc/08/53/71/165085371.db2.gz NUTZVSBFHJNTFM-UONOGXRCSA-N 2 1 334.420 0.802 10 0 ECAEMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246183179 165125142 /nfs/dbraw/zinc/12/51/42/165125142.db2.gz UHVAKSVSBBEEQM-INMHGKMJSA-N 2 1 336.480 0.833 10 0 ECAEMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246183179 165125146 /nfs/dbraw/zinc/12/51/46/165125146.db2.gz UHVAKSVSBBEEQM-INMHGKMJSA-N 2 1 336.480 0.833 10 0 ECAEMP COCC[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1C ZINC000262371434 165340776 /nfs/dbraw/zinc/34/07/76/165340776.db2.gz WEZHQKNOHBUYID-OAHLLOKOSA-N 2 1 335.452 0.141 10 0 ECAEMP COCC[N@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C[C@H]1C ZINC000262371434 165340778 /nfs/dbraw/zinc/34/07/78/165340778.db2.gz WEZHQKNOHBUYID-OAHLLOKOSA-N 2 1 335.452 0.141 10 0 ECAEMP Cc1cc(N2CCC(NC(=O)C3(C[NH3+])CCOCC3)CC2)nc(C)[nH+]1 ZINC000262390791 165344424 /nfs/dbraw/zinc/34/44/24/165344424.db2.gz XWDHVTPQPAQTRI-UHFFFAOYSA-N 2 1 347.463 0.934 10 0 ECAEMP NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)cc1 ZINC000262471344 165353634 /nfs/dbraw/zinc/35/36/34/165353634.db2.gz JGWJJXXZGFZGRQ-BYCMXARLSA-N 2 1 325.434 0.382 10 0 ECAEMP CC[NH+](CC)CCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115781244 436648786 /nfs/dbraw/zinc/64/87/86/436648786.db2.gz MZUKPFHQQGAIHM-UHFFFAOYSA-N 2 1 336.484 0.979 10 0 ECAEMP CC[NH+](CC)CCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115781244 436648788 /nfs/dbraw/zinc/64/87/88/436648788.db2.gz MZUKPFHQQGAIHM-UHFFFAOYSA-N 2 1 336.484 0.979 10 0 ECAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000150750702 436689083 /nfs/dbraw/zinc/68/90/83/436689083.db2.gz SQNNXJJZFOTJOM-HZPDHXFCSA-N 2 1 326.485 0.936 10 0 ECAEMP Cc1nc(C)n(C[C@H]2CCC[N@H+](CC(=O)N3CCN(C)CC3)C2)n1 ZINC000121018015 436705048 /nfs/dbraw/zinc/70/50/48/436705048.db2.gz IKUHESHWWYIABC-INIZCTEOSA-N 2 1 334.468 0.381 10 0 ECAEMP C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc(-n3cccn3)c1)[NH2+][C@]2(CO)CCO ZINC000065452966 436663676 /nfs/dbraw/zinc/66/36/76/436663676.db2.gz LRYNCLYTISMQDN-HCXYKTFWSA-N 2 1 342.443 0.808 10 0 ECAEMP C[NH+](C)[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000170854799 436957482 /nfs/dbraw/zinc/95/74/82/436957482.db2.gz GJDCSYUSKZQRMC-GOSISDBHSA-N 2 1 330.476 0.967 10 0 ECAEMP CC[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000174595089 437082491 /nfs/dbraw/zinc/08/24/91/437082491.db2.gz BVHCVEWEXOPTBT-SJORKVTESA-N 2 1 341.496 0.793 10 0 ECAEMP CC[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000174595089 437082493 /nfs/dbraw/zinc/08/24/93/437082493.db2.gz BVHCVEWEXOPTBT-SJORKVTESA-N 2 1 341.496 0.793 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000184889620 437416002 /nfs/dbraw/zinc/41/60/02/437416002.db2.gz SSPAEGFQVJZKGG-QGZVFWFLSA-N 2 1 338.496 0.959 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[NH+](C)CCOC)CC[N@H+]1C[C@@H](C)O ZINC000185048280 437421889 /nfs/dbraw/zinc/42/18/89/437421889.db2.gz BOVBDDBFWPGHIV-CABCVRRESA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[N@H+](C)CCOC)CC[NH+]1C[C@@H](C)O ZINC000185048280 437421894 /nfs/dbraw/zinc/42/18/94/437421894.db2.gz BOVBDDBFWPGHIV-CABCVRRESA-N 2 1 330.473 0.051 10 0 ECAEMP CC[C@H]1CN(C(=O)NCC[N@@H+](C)CCOC)CC[NH+]1C[C@@H](C)O ZINC000185048280 437421897 /nfs/dbraw/zinc/42/18/97/437421897.db2.gz BOVBDDBFWPGHIV-CABCVRRESA-N 2 1 330.473 0.051 10 0 ECAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000133759775 282138554 /nfs/dbraw/zinc/13/85/54/282138554.db2.gz RBYFSFYIKLSAAI-ROUUACIJSA-N 2 1 347.459 0.676 10 0 ECAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000133759775 282138558 /nfs/dbraw/zinc/13/85/58/282138558.db2.gz RBYFSFYIKLSAAI-ROUUACIJSA-N 2 1 347.459 0.676 10 0 ECAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000246332796 165131310 /nfs/dbraw/zinc/13/13/10/165131310.db2.gz OMAWSDZHMLJYCW-BRWVUGGUSA-N 2 1 337.512 0.891 10 0 ECAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247010434 165149626 /nfs/dbraw/zinc/14/96/26/165149626.db2.gz RNEKGYIYRBDKJP-ZOBUZTSGSA-N 2 1 341.496 0.693 10 0 ECAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247010434 165149629 /nfs/dbraw/zinc/14/96/29/165149629.db2.gz RNEKGYIYRBDKJP-ZOBUZTSGSA-N 2 1 341.496 0.693 10 0 ECAEMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261689617 165227533 /nfs/dbraw/zinc/22/75/33/165227533.db2.gz DAPMWDBBFUJCQM-HNNXBMFYSA-N 2 1 346.431 0.583 10 0 ECAEMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261689617 165227538 /nfs/dbraw/zinc/22/75/38/165227538.db2.gz DAPMWDBBFUJCQM-HNNXBMFYSA-N 2 1 346.431 0.583 10 0 ECAEMP O=C(COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)N1CCCC1 ZINC000263283132 165433445 /nfs/dbraw/zinc/43/34/45/165433445.db2.gz UNUTTYCNOGGUDI-HZPDHXFCSA-N 2 1 333.432 0.358 10 0 ECAEMP C[C@@H]1C(=O)NCCC[N@@H+]1CCCCCC[NH+]1CCCNC(=O)[C@@H]1C ZINC000189262804 287179505 /nfs/dbraw/zinc/17/95/05/287179505.db2.gz VUXFRGOAOBUFOK-IYBDPMFKSA-N 2 1 338.496 0.968 10 0 ECAEMP C[C@@H]1C(=O)NCCC[NH+]1CCCCCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189262804 287179508 /nfs/dbraw/zinc/17/95/08/287179508.db2.gz VUXFRGOAOBUFOK-IYBDPMFKSA-N 2 1 338.496 0.968 10 0 ECAEMP C[C@@H]1C(=O)NCCC[NH+]1CCCCCC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189262804 287179509 /nfs/dbraw/zinc/17/95/09/287179509.db2.gz VUXFRGOAOBUFOK-IYBDPMFKSA-N 2 1 338.496 0.968 10 0 ECAEMP Cc1cccc(OC[C@]2(C[NH2+]C3CC[NH+](C)CC3)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107283859 436609908 /nfs/dbraw/zinc/60/99/08/436609908.db2.gz WLRGGGDWCQBVQW-IZZQQSIFSA-N 2 1 349.475 0.955 10 0 ECAEMP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C[C@H]1C ZINC000247476232 436794618 /nfs/dbraw/zinc/79/46/18/436794618.db2.gz TWEGXAGHZLWTMA-WBVHZDCISA-N 2 1 341.496 0.959 10 0 ECAEMP COCC[N@H+]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C[C@H]1C ZINC000247476232 436794621 /nfs/dbraw/zinc/79/46/21/436794621.db2.gz TWEGXAGHZLWTMA-WBVHZDCISA-N 2 1 341.496 0.959 10 0 ECAEMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC000172330969 437011233 /nfs/dbraw/zinc/01/12/33/437011233.db2.gz BHZCBAIADUAANH-OAHLLOKOSA-N 2 1 342.484 0.459 10 0 ECAEMP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC000172330969 437011238 /nfs/dbraw/zinc/01/12/38/437011238.db2.gz BHZCBAIADUAANH-OAHLLOKOSA-N 2 1 342.484 0.459 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000181744191 437327900 /nfs/dbraw/zinc/32/79/00/437327900.db2.gz ACIGMQGASCVEFZ-HZPDHXFCSA-N 2 1 326.485 0.959 10 0 ECAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000181744191 437327904 /nfs/dbraw/zinc/32/79/04/437327904.db2.gz ACIGMQGASCVEFZ-HZPDHXFCSA-N 2 1 326.485 0.959 10 0 ECAEMP C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC[N@H+]1CC(C)(C)O ZINC000341629837 437876229 /nfs/dbraw/zinc/87/62/29/437876229.db2.gz GDBXVCIEBSLJJU-QLFBSQMISA-N 2 1 326.485 0.956 10 0 ECAEMP NC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662920164 439942936 /nfs/dbraw/zinc/94/29/36/439942936.db2.gz RMFIOULXIWDNMZ-HOTGVXAUSA-N 2 1 344.459 0.608 10 0 ECAEMP NC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662920164 439942942 /nfs/dbraw/zinc/94/29/42/439942942.db2.gz RMFIOULXIWDNMZ-HOTGVXAUSA-N 2 1 344.459 0.608 10 0 ECAEMP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)C1 ZINC000193323692 535213227 /nfs/dbraw/zinc/21/32/27/535213227.db2.gz KVDMIKKAWVJZII-CVEARBPZSA-N 2 1 326.485 0.367 10 0 ECAEMP Cc1noc([C@H]2CC(=O)N(C3C[NH+](CC4CC[NH+](C)CC4)C3)C2)n1 ZINC000895887915 586211154 /nfs/dbraw/zinc/21/11/54/586211154.db2.gz CHGUVBFCLQPOTD-AWEZNQCLSA-N 2 1 333.436 0.720 10 0 ECAEMP Cn1cncc1[C@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCC(=O)N1C1CC1 ZINC000897909834 586381814 /nfs/dbraw/zinc/38/18/14/586381814.db2.gz ZMKFHPNCPUBHAS-JKIFEVAISA-N 2 1 345.447 0.825 10 0 ECAEMP Cn1cncc1[C@H]1[C@H](NC(=O)[C@@H]2CCCN2C)CCC(=O)N1C1CC1 ZINC000897909834 586381815 /nfs/dbraw/zinc/38/18/15/586381815.db2.gz ZMKFHPNCPUBHAS-JKIFEVAISA-N 2 1 345.447 0.825 10 0 ECAEMP C[NH+](C)C[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)COC2)C1 ZINC000248436937 165175441 /nfs/dbraw/zinc/17/54/41/165175441.db2.gz SGRQQHGMVZQEMY-ROUUACIJSA-N 3 1 338.540 0.770 10 0 ECAEMP NC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261889010 165258469 /nfs/dbraw/zinc/25/84/69/165258469.db2.gz GEFGCIWYBRUKMJ-BBWFWOEESA-N 2 1 333.432 0.797 10 0 ECAEMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261926906 165263991 /nfs/dbraw/zinc/26/39/91/165263991.db2.gz VTCOFGXJACGJEL-IMJJTQAJSA-N 2 1 334.464 0.330 10 0 ECAEMP Cc1cccc(NCCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[nH+]1 ZINC000262310319 165327503 /nfs/dbraw/zinc/32/75/03/165327503.db2.gz QIRTZLVFOVTEGW-CABCVRRESA-N 2 1 328.420 0.655 10 0 ECAEMP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000116794703 279771268 /nfs/dbraw/zinc/77/12/68/279771268.db2.gz XTTSGMQIVUFIKD-VQHPVUNQSA-N 2 1 341.496 0.909 10 0 ECAEMP CC[C@@H]1CN(C(=O)c2csc(CC[NH3+])n2)CC[N@@H+]1C[C@H](C)O ZINC000249155733 280394290 /nfs/dbraw/zinc/39/42/90/280394290.db2.gz WPRSNJQZNFKKAH-NWDGAFQWSA-N 2 1 326.466 0.562 10 0 ECAEMP CC[C@@H]1CN(C(=O)c2csc(CC[NH3+])n2)CC[N@H+]1C[C@H](C)O ZINC000249155733 280394292 /nfs/dbraw/zinc/39/42/92/280394292.db2.gz WPRSNJQZNFKKAH-NWDGAFQWSA-N 2 1 326.466 0.562 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000113593567 436638554 /nfs/dbraw/zinc/63/85/54/436638554.db2.gz CWYXFKXFEKSQIV-UKRRQHHQSA-N 2 1 337.468 0.075 10 0 ECAEMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000113593567 436638556 /nfs/dbraw/zinc/63/85/56/436638556.db2.gz 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