smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH+](CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000304485978 713791245 /nfs/dbraw/zinc/79/12/45/713791245.db2.gz LIGGUUKPCHJHCM-UHFFFAOYSA-N 2 0 360.424 3.108 20 30 FGEDRP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCC[NH2+]1 ZINC000662703386 720453385 /nfs/dbraw/zinc/45/33/85/720453385.db2.gz HGERJNYMOVTMGT-HXUWFJFHSA-N 2 0 359.539 3.181 20 30 FGEDRP FC1(F)[C@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531724 759143195 /nfs/dbraw/zinc/14/31/95/759143195.db2.gz SYTVTRFWTNPUAD-LPEHRKFASA-N 2 0 366.296 3.089 20 30 FGEDRP COc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)ccc1C#N ZINC000579778139 505618677 /nfs/dbraw/zinc/61/86/77/505618677.db2.gz KJQAGXDGCZIVJG-UHFFFAOYSA-N 2 0 365.477 3.331 20 30 FGEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081568070 493917593 /nfs/dbraw/zinc/91/75/93/493917593.db2.gz GGHGHMUMDMGZMM-HNNXBMFYSA-N 2 0 362.905 3.204 20 30 FGEDRP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073079037 494318729 /nfs/dbraw/zinc/31/87/29/494318729.db2.gz PKYKJCDBEWULNM-UHFFFAOYSA-N 2 0 351.454 3.133 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000111496063 495082020 /nfs/dbraw/zinc/08/20/20/495082020.db2.gz LZQNSDHWASFUOD-SFHVURJKSA-N 2 0 364.578 3.227 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000106328665 495445049 /nfs/dbraw/zinc/44/50/49/495445049.db2.gz IFFDYEVOEYATBY-OAQYLSRUSA-N 2 0 372.557 3.191 20 30 FGEDRP C[C@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000183226425 495887988 /nfs/dbraw/zinc/88/79/88/495887988.db2.gz QXMIZEFIXKBWBG-LJQANCHMSA-N 2 0 354.542 3.377 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000171699330 495994455 /nfs/dbraw/zinc/99/44/55/495994455.db2.gz RPAHBMRHAALEJL-HXUWFJFHSA-N 2 0 358.530 3.019 20 30 FGEDRP [NH2+]=C(NCCc1cn2c(n1)CCCC2)Nc1ccccc1OC(F)(F)F ZINC000160672479 496017152 /nfs/dbraw/zinc/01/71/52/496017152.db2.gz UKBDZYVDTQDNOY-UHFFFAOYSA-N 2 0 367.375 3.087 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441864 497408034 /nfs/dbraw/zinc/40/80/34/497408034.db2.gz VUMDUAWQDZQLGU-WMLDXEAASA-N 2 0 374.554 3.099 20 30 FGEDRP Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3ncc[nH]3)CC2)c1C ZINC000266750038 497411800 /nfs/dbraw/zinc/41/18/00/497411800.db2.gz NUJYZBOUCBLXNZ-UHFFFAOYSA-N 2 0 365.481 3.153 20 30 FGEDRP C[N@@H+]1CCC[C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976948 497588136 /nfs/dbraw/zinc/58/81/36/497588136.db2.gz XESXODBTZDBJFK-SJLPKXTDSA-N 2 0 352.400 3.353 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000364731917 498118954 /nfs/dbraw/zinc/11/89/54/498118954.db2.gz WOCAMDRPLTWSCP-SFHVURJKSA-N 2 0 370.541 3.260 20 30 FGEDRP COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)ccc1C#N ZINC000281577909 498200663 /nfs/dbraw/zinc/20/06/63/498200663.db2.gz CZLGIGMHDULOHZ-UHFFFAOYSA-N 2 0 365.481 3.104 20 30 FGEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000369341717 499393166 /nfs/dbraw/zinc/39/31/66/499393166.db2.gz GBSQMDNUAVKWOG-VLCRHTCISA-N 2 0 356.510 3.068 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411556597 499762810 /nfs/dbraw/zinc/76/28/10/499762810.db2.gz YEULIXPUTBFTSJ-OALUTQOASA-N 2 0 356.514 3.377 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415038818 499857055 /nfs/dbraw/zinc/85/70/55/499857055.db2.gz NKYUIDRTEGTYJC-OCCSQVGLSA-N 2 0 369.303 3.240 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431966648 500449767 /nfs/dbraw/zinc/44/97/67/500449767.db2.gz WBAYWPLTMXMMFG-QUCCMNQESA-N 2 0 364.578 3.227 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000481673305 501845398 /nfs/dbraw/zinc/84/53/98/501845398.db2.gz CSXPPOGPFHCOOD-PGRDOPGGSA-N 2 0 353.510 3.416 20 30 FGEDRP CC(C)[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000481919524 501918025 /nfs/dbraw/zinc/91/80/25/501918025.db2.gz STZMTTPXABCKMX-FGZHOGPDSA-N 2 0 354.542 3.187 20 30 FGEDRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000466424444 502567786 /nfs/dbraw/zinc/56/77/86/502567786.db2.gz HZDXZKPEAKBHJD-UHFFFAOYSA-N 2 0 362.521 3.423 20 30 FGEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000481175469 502772930 /nfs/dbraw/zinc/77/29/30/502772930.db2.gz KHANMUJXKYOBMB-ZJOUEHCJSA-N 2 0 357.542 3.300 20 30 FGEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)C1 ZINC000515074316 503265921 /nfs/dbraw/zinc/26/59/21/503265921.db2.gz GMPRTSZSVFZHBW-KRWDZBQOSA-N 2 0 374.492 3.123 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560532369 505117325 /nfs/dbraw/zinc/11/73/25/505117325.db2.gz YXVNRJKRFGOZRX-KDURUIRLSA-N 2 0 354.542 3.485 20 30 FGEDRP COCC[C@H]1CCCC[N@H+](CC#CC[NH+]2CCCC[C@@H](CCOC)C2)C1 ZINC000551395930 505217350 /nfs/dbraw/zinc/21/73/50/505217350.db2.gz WTKMKHIGXHYACE-SZPZYZBQSA-N 2 0 364.574 3.267 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000599657707 506557707 /nfs/dbraw/zinc/55/77/07/506557707.db2.gz LBZBIWCQDDCANX-KRWDZBQOSA-N 2 0 364.493 3.469 20 30 FGEDRP Cn1nc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000612829309 506768662 /nfs/dbraw/zinc/76/86/62/506768662.db2.gz ZAOXZWOANTXDEU-UHFFFAOYSA-N 2 0 359.477 3.199 20 30 FGEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000594438202 507132932 /nfs/dbraw/zinc/13/29/32/507132932.db2.gz NDWXLQTVCQVNPK-HXUWFJFHSA-N 2 0 356.514 3.090 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000594500277 507156833 /nfs/dbraw/zinc/15/68/33/507156833.db2.gz LJESBIKJQJAHHE-JOCHJYFZSA-N 2 0 363.505 3.344 20 30 FGEDRP CC(C)OC(=O)C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000594625235 507214672 /nfs/dbraw/zinc/21/46/72/507214672.db2.gz SXPSOYPDCDESPW-OAQYLSRUSA-N 2 0 371.525 3.479 20 30 FGEDRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccc(OCCCC#N)c3)c2)CC1 ZINC000601068636 507249494 /nfs/dbraw/zinc/24/94/94/507249494.db2.gz OLGCEBGJERADAH-UHFFFAOYSA-N 2 0 365.481 3.128 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595074757 507379306 /nfs/dbraw/zinc/37/93/06/507379306.db2.gz WFYZJHYXKONKJZ-GMAHTHKFSA-N 2 0 361.489 3.292 20 30 FGEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000598721602 507568071 /nfs/dbraw/zinc/56/80/71/507568071.db2.gz VUMCWGRTDGYEHI-GOSISDBHSA-N 2 0 363.933 3.442 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128677831 700778201 /nfs/dbraw/zinc/77/82/01/700778201.db2.gz JSUFESAOXNOCLD-GOSISDBHSA-N 2 0 365.949 3.496 20 30 FGEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)CC(C)C ZINC000303770216 713788223 /nfs/dbraw/zinc/78/82/23/713788223.db2.gz BQVBRQSDJPPCIJ-INIZCTEOSA-N 2 0 350.507 3.187 20 30 FGEDRP C[N@H+](Cc1ccccc1CNC(=[NH2+])N1CCSCC1)C1CCCCC1 ZINC000303876287 713789402 /nfs/dbraw/zinc/78/94/02/713789402.db2.gz IBUHDZICRTYSLN-UHFFFAOYSA-N 2 0 360.571 3.315 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000764841052 723452123 /nfs/dbraw/zinc/45/21/23/723452123.db2.gz QMXOZMTXNFKSBG-KRWDZBQOSA-N 2 0 365.949 3.495 20 30 FGEDRP FC1(F)[C@@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531723 759143318 /nfs/dbraw/zinc/14/33/18/759143318.db2.gz SYTVTRFWTNPUAD-IVZWLZJFSA-N 2 0 366.296 3.089 20 30 FGEDRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@@H](C)O1 ZINC000067453132 494544494 /nfs/dbraw/zinc/54/44/94/494544494.db2.gz REASGIBRKPVTAH-RTBURBONSA-N 2 0 358.530 3.015 20 30 FGEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000121081647 494585753 /nfs/dbraw/zinc/58/57/53/494585753.db2.gz BOOAWOBIXQCEFL-LEWJYISDSA-N 2 0 355.526 3.218 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000121693220 494839365 /nfs/dbraw/zinc/83/93/65/494839365.db2.gz LNBVCIXJXIJBHZ-CALCHBBNSA-N 2 0 359.489 3.409 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)C(C)C ZINC000580418575 505755446 /nfs/dbraw/zinc/75/54/46/505755446.db2.gz OWCLQCQYTBKTEN-FQEVSTJZSA-N 2 0 356.514 3.152 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCc2cccc(C[NH+]3CCCC3)c2)cc1OC ZINC000170911783 495649225 /nfs/dbraw/zinc/64/92/25/495649225.db2.gz CATURVCKSQFPRJ-UHFFFAOYSA-N 2 0 368.481 3.226 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150836266 495650310 /nfs/dbraw/zinc/65/03/10/495650310.db2.gz RGARMMSWJVYWON-WOJBJXKFSA-N 2 0 368.525 3.048 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000171711193 496001041 /nfs/dbraw/zinc/00/10/41/496001041.db2.gz ICYIDGNWYKRATI-GOSISDBHSA-N 2 0 364.559 3.081 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2OCC[NH+](CC)CC)CC1 ZINC000171738126 496015037 /nfs/dbraw/zinc/01/50/37/496015037.db2.gz QHPMCNGLLKZBJW-UHFFFAOYSA-N 2 0 374.529 3.179 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(OCC#N)cc1 ZINC000171768813 496029580 /nfs/dbraw/zinc/02/95/80/496029580.db2.gz PMRHHOQROJPAQU-KRWDZBQOSA-N 2 0 353.466 3.380 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000177508248 496091578 /nfs/dbraw/zinc/09/15/78/496091578.db2.gz RABKUBGDIQYTKP-RTBURBONSA-N 2 0 371.525 3.148 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000177513132 496092441 /nfs/dbraw/zinc/09/24/41/496092441.db2.gz QJXUCKWVXAMJGV-KDURUIRLSA-N 2 0 371.525 3.148 20 30 FGEDRP CC1CC[NH+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181417837 496386920 /nfs/dbraw/zinc/38/69/20/496386920.db2.gz HOGGYCHCIVKEGU-UHFFFAOYSA-N 2 0 354.542 3.234 20 30 FGEDRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181569571 496450077 /nfs/dbraw/zinc/45/00/77/496450077.db2.gz PMIXGFBXBCWIJD-VAMGGRTRSA-N 2 0 368.569 3.479 20 30 FGEDRP COc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1C#N ZINC000569112571 505855480 /nfs/dbraw/zinc/85/54/80/505855480.db2.gz ICTNPBZHPYJWQZ-INIZCTEOSA-N 2 0 353.466 3.358 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414299 497394430 /nfs/dbraw/zinc/39/44/30/497394430.db2.gz CESJQWQWRMTMAZ-KBXCAEBGSA-N 2 0 362.905 3.202 20 30 FGEDRP N#Cc1cccc(OCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000312940282 498763547 /nfs/dbraw/zinc/76/35/47/498763547.db2.gz PMQWZWFBWZPFIO-FGZHOGPDSA-N 2 0 361.489 3.391 20 30 FGEDRP CC[NH+](CC#CC[N@H+](CC)CCc1nccs1)CCc1nccs1 ZINC000283929282 499014432 /nfs/dbraw/zinc/01/44/32/499014432.db2.gz COPRXOIHMUSWRO-UHFFFAOYSA-N 2 0 362.568 3.032 20 30 FGEDRP CN1CCC([NH+]2CCC(CCNc3snc(Cl)c3C#N)CC2)CC1 ZINC000370318861 499209063 /nfs/dbraw/zinc/20/90/63/499209063.db2.gz VBVOLKGSVWUNCA-UHFFFAOYSA-N 2 0 367.950 3.276 20 30 FGEDRP N#Cc1ccc(OCC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380636610 499543696 /nfs/dbraw/zinc/54/36/96/499543696.db2.gz JMCFDBSAAXIVCD-FCHUYYIVSA-N 2 0 361.489 3.391 20 30 FGEDRP C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377407935 499687874 /nfs/dbraw/zinc/68/78/74/499687874.db2.gz CTDMVUCMINCBHD-YLJYHZDGSA-N 2 0 359.477 3.206 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411556598 499762700 /nfs/dbraw/zinc/76/27/00/499762700.db2.gz YEULIXPUTBFTSJ-RBUKOAKNSA-N 2 0 356.514 3.377 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415038817 499857074 /nfs/dbraw/zinc/85/70/74/499857074.db2.gz NKYUIDRTEGTYJC-JSGCOSHPSA-N 2 0 369.303 3.240 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000415887762 499924593 /nfs/dbraw/zinc/92/45/93/499924593.db2.gz YESHQWSCBFRZNZ-HXUWFJFHSA-N 2 0 356.514 3.152 20 30 FGEDRP COc1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000442883123 500639737 /nfs/dbraw/zinc/63/97/37/500639737.db2.gz UIJAGSCJQJTROB-ROUUACIJSA-N 2 0 371.525 3.278 20 30 FGEDRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000481680317 501847399 /nfs/dbraw/zinc/84/73/99/501847399.db2.gz YPDYXINPXMUEEZ-NRFANRHFSA-N 2 0 364.493 3.451 20 30 FGEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299448 502366259 /nfs/dbraw/zinc/36/62/59/502366259.db2.gz ZZIHMUJWVMWGQK-MSOLQXFVSA-N 2 0 368.525 3.102 20 30 FGEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000540910769 503935623 /nfs/dbraw/zinc/93/56/23/503935623.db2.gz BPKFRGFYUSUXJS-OAQYLSRUSA-N 2 0 368.525 3.106 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC000520201299 504434038 /nfs/dbraw/zinc/43/40/38/504434038.db2.gz IVDOILGXSZCARB-IBGZPJMESA-N 2 0 364.578 3.201 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000599657762 506558113 /nfs/dbraw/zinc/55/81/13/506558113.db2.gz LLZLMMUQLMFOFD-LAUBAEHRSA-N 2 0 358.530 3.013 20 30 FGEDRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000597025453 506737126 /nfs/dbraw/zinc/73/71/26/506737126.db2.gz DDFRLXSFDJELEM-UHFFFAOYSA-N 2 0 366.553 3.232 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440527 507133129 /nfs/dbraw/zinc/13/31/29/507133129.db2.gz DWDLYFUOPKQPJM-YLJYHZDGSA-N 2 0 356.514 3.088 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441236 507135049 /nfs/dbraw/zinc/13/50/49/507135049.db2.gz PMVRJAATWDEDAI-OPYAIIAOSA-N 2 0 370.541 3.192 20 30 FGEDRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N)C1CCCCC1 ZINC000594441311 507135210 /nfs/dbraw/zinc/13/52/10/507135210.db2.gz QTBHQMRQUQOIKT-OAQYLSRUSA-N 2 0 370.541 3.479 20 30 FGEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)(N2CCCCC2)CC1 ZINC000594929938 507319128 /nfs/dbraw/zinc/31/91/28/507319128.db2.gz QDBFHGZAGWZBLF-UHFFFAOYSA-N 2 0 366.553 3.282 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(C(F)(F)F)c1 ZINC000595894758 507731778 /nfs/dbraw/zinc/73/17/78/507731778.db2.gz YZROQCBZTCUWDG-SJLPKXTDSA-N 2 0 367.415 3.295 20 30 FGEDRP [NH2+]=C(NCCc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303894031 713789908 /nfs/dbraw/zinc/78/99/08/713789908.db2.gz SIEMLABWYIKWJW-GOSISDBHSA-N 2 0 356.539 3.107 20 30 FGEDRP [NH3+][C@@H]1CC[C@H](C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000923530580 759142538 /nfs/dbraw/zinc/14/25/38/759142538.db2.gz HCFNAJOAPUQLKX-SGIHWFKDSA-N 2 0 366.296 3.217 20 30 FGEDRP FC1(F)[C@H]2CN(CCC[NH2+]C3CC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531439 759143398 /nfs/dbraw/zinc/14/33/98/759143398.db2.gz QAWMRKRKGYKDIK-UWVGGRQHSA-N 2 0 366.296 3.231 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965533 494293362 /nfs/dbraw/zinc/29/33/62/494293362.db2.gz PJNSMYLPQZFRTG-AZUAARDMSA-N 2 0 368.525 3.473 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121636623 494827632 /nfs/dbraw/zinc/82/76/32/494827632.db2.gz DAHFWKHJHDXUDU-KRWDZBQOSA-N 2 0 363.571 3.315 20 30 FGEDRP N#CCCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000136570464 495388090 /nfs/dbraw/zinc/38/80/90/495388090.db2.gz WOPAGOFXFUFQTC-FGZHOGPDSA-N 2 0 371.525 3.227 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000106035467 495405732 /nfs/dbraw/zinc/40/57/32/495405732.db2.gz MHRLILGXDYHSJF-UHFFFAOYSA-N 2 0 355.526 3.441 20 30 FGEDRP C=CCc1cc(CN2CCN(c3cc(C)ccn3)CC2)cc(OC)c1O ZINC000120898630 495480593 /nfs/dbraw/zinc/48/05/93/495480593.db2.gz PPEHKUHTYATLOW-UHFFFAOYSA-N 2 0 353.466 3.155 20 30 FGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000174581683 496019856 /nfs/dbraw/zinc/01/98/56/496019856.db2.gz PMDCJNTWNMRSLL-LJQANCHMSA-N 2 0 370.541 3.017 20 30 FGEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179252655 496721275 /nfs/dbraw/zinc/72/12/75/496721275.db2.gz GUEAVWOMMPJAIM-GUYCJALGSA-N 2 0 361.852 3.294 20 30 FGEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000189949832 497303941 /nfs/dbraw/zinc/30/39/41/497303941.db2.gz FZXNIYWCHOHHFU-RSUKUSEWSA-N 2 0 363.505 3.338 20 30 FGEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000267422539 497548245 /nfs/dbraw/zinc/54/82/45/497548245.db2.gz LBSZXGLLFLDENV-UHFFFAOYSA-N 2 0 366.509 3.187 20 30 FGEDRP COc1cccc(NC(=[NH2+])NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000262426174 497554532 /nfs/dbraw/zinc/55/45/32/497554532.db2.gz CQWPPOQVOTXDNX-UHFFFAOYSA-N 2 0 370.419 3.227 20 30 FGEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000280615323 497826829 /nfs/dbraw/zinc/82/68/29/497826829.db2.gz KMGOJSWJAHJTRO-KNQAVFIVSA-N 2 0 357.542 3.288 20 30 FGEDRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000360094967 498245720 /nfs/dbraw/zinc/24/57/20/498245720.db2.gz BSMYQZILWLVQMP-HNAYVOBHSA-N 2 0 351.479 3.050 20 30 FGEDRP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000360094968 498246424 /nfs/dbraw/zinc/24/64/24/498246424.db2.gz BSMYQZILWLVQMP-KXBFYZLASA-N 2 0 351.479 3.050 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342839 499393505 /nfs/dbraw/zinc/39/35/05/499393505.db2.gz KSJDLWGQZUNEAS-COPCDDAFSA-N 2 0 370.541 3.015 20 30 FGEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377705918 499722954 /nfs/dbraw/zinc/72/29/54/499722954.db2.gz ZYRPESBAIPLIHL-QGZVFWFLSA-N 2 0 350.466 3.473 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411553082 499754004 /nfs/dbraw/zinc/75/40/04/499754004.db2.gz QOKMEAUKFRSLBL-OKZBNKHCSA-N 2 0 374.554 3.215 20 30 FGEDRP C=CCOc1cccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000421366048 500029062 /nfs/dbraw/zinc/02/90/62/500029062.db2.gz CDCWVGITUMPWIQ-UHFFFAOYSA-N 2 0 357.542 3.243 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417539098 500100968 /nfs/dbraw/zinc/10/09/68/500100968.db2.gz OBWPGNVGZCABMA-OAQYLSRUSA-N 2 0 366.509 3.179 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333267 500443266 /nfs/dbraw/zinc/44/32/66/500443266.db2.gz FHJOZRIGPDPHDM-QFBILLFUSA-N 2 0 361.555 3.115 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431966646 500449702 /nfs/dbraw/zinc/44/97/02/500449702.db2.gz WBAYWPLTMXMMFG-AZUAARDMSA-N 2 0 364.578 3.227 20 30 FGEDRP CCC[NH+]1CCC(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433310063 500668274 /nfs/dbraw/zinc/66/82/74/500668274.db2.gz GQWKALBEJGCBNP-UHFFFAOYSA-N 2 0 366.513 3.070 20 30 FGEDRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229930 500820755 /nfs/dbraw/zinc/82/07/55/500820755.db2.gz XVLXKYCXKLHKQP-HOTGVXAUSA-N 2 0 360.527 3.045 20 30 FGEDRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000596148053 506279945 /nfs/dbraw/zinc/27/99/45/506279945.db2.gz YRAJCWNPSCLAAS-XMTFNYHQSA-N 2 0 370.545 3.051 20 30 FGEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481921922 501918963 /nfs/dbraw/zinc/91/89/63/501918963.db2.gz MSTHNCMXZHOHRE-JOCHJYFZSA-N 2 0 354.542 3.189 20 30 FGEDRP N#Cc1ccc(CN2CC[C@H](Oc3ccncc3)C2)c(Br)c1 ZINC000481122124 502760858 /nfs/dbraw/zinc/76/08/58/502760858.db2.gz VQQSHEPVXGVDMT-INIZCTEOSA-N 2 0 358.239 3.369 20 30 FGEDRP C[N@H+](CCOc1ccc(C#N)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081179 502931299 /nfs/dbraw/zinc/93/12/99/502931299.db2.gz PELAMZGOPZHFKG-UHFFFAOYSA-N 2 0 350.466 3.180 20 30 FGEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000594440883 507134561 /nfs/dbraw/zinc/13/45/61/507134561.db2.gz IXBBTELOOZLJHM-MISYRCLQSA-N 2 0 356.514 3.082 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440981 507135059 /nfs/dbraw/zinc/13/50/59/507135059.db2.gz KIPPFECLZNSZIJ-UEXGIBASSA-N 2 0 370.541 3.192 20 30 FGEDRP N#Cc1ccc(OC2CCC([NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)nc1 ZINC000594935806 507321030 /nfs/dbraw/zinc/32/10/30/507321030.db2.gz QIDKCJVHQNFAHU-UHFFFAOYSA-N 2 0 374.448 3.014 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073192 507379565 /nfs/dbraw/zinc/37/95/65/507379565.db2.gz SYGVWVVBMGFWIZ-BEFAXECRSA-N 2 0 353.441 3.115 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000598721603 507567944 /nfs/dbraw/zinc/56/79/44/507567944.db2.gz VUMCWGRTDGYEHI-SFHVURJKSA-N 2 0 363.933 3.442 20 30 FGEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611391164 507659120 /nfs/dbraw/zinc/65/91/20/507659120.db2.gz XVXJKKUFDFGXSM-DEOSSOPVSA-N 2 0 374.532 3.473 20 30 FGEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1 ZINC000595896732 507732187 /nfs/dbraw/zinc/73/21/87/507732187.db2.gz WKLZREBTHCDWFC-LZLYRXPVSA-N 2 0 367.415 3.295 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155749664 705089893 /nfs/dbraw/zinc/08/98/93/705089893.db2.gz HXULFYVTXSCTHN-QZTJIDSGSA-N 2 0 365.949 3.495 20 30 FGEDRP C=CCN1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182640349 705854323 /nfs/dbraw/zinc/85/43/23/705854323.db2.gz DQAMONNYXXUGHK-WMZOPIPTSA-N 2 0 351.535 3.405 20 30 FGEDRP FC1(F)[C@@H]2C[NH+](CC[C@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529281 759142184 /nfs/dbraw/zinc/14/21/84/759142184.db2.gz BRRXLSYTQOUHOC-OPRDCNLKSA-N 2 0 366.296 3.089 20 30 FGEDRP FC1(F)[C@@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531725 759143619 /nfs/dbraw/zinc/14/36/19/759143619.db2.gz SYTVTRFWTNPUAD-OPRDCNLKSA-N 2 0 366.296 3.089 20 30 FGEDRP CC[NH+]1CCC(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000570834965 505591828 /nfs/dbraw/zinc/59/18/28/505591828.db2.gz PZRCORMQAHKXCF-UHFFFAOYSA-N 2 0 351.498 3.285 20 30 FGEDRP C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000077202593 494032799 /nfs/dbraw/zinc/03/27/99/494032799.db2.gz UJIGKZPXDQIHOX-LJQANCHMSA-N 2 0 374.529 3.131 20 30 FGEDRP C=C(C)CN1CCC([NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000088716141 494256684 /nfs/dbraw/zinc/25/66/84/494256684.db2.gz ZSASGQGLNYWSBT-UHFFFAOYSA-N 2 0 370.585 3.349 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112631534 495215003 /nfs/dbraw/zinc/21/50/03/495215003.db2.gz WEWLHXQLIGYVJT-KRWDZBQOSA-N 2 0 356.514 3.329 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136866064 495406703 /nfs/dbraw/zinc/40/67/03/495406703.db2.gz JUDPERCFPCLDDG-PKOBYXMFSA-N 2 0 366.509 3.470 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000154168450 495533190 /nfs/dbraw/zinc/53/31/90/495533190.db2.gz IWQPJKLPWBMEFR-QGZVFWFLSA-N 2 0 370.840 3.089 20 30 FGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000574611990 505813913 /nfs/dbraw/zinc/81/39/13/505813913.db2.gz RFGBGHPOHKNAFB-GGAORHGYSA-N 2 0 361.489 3.292 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000171699327 495994385 /nfs/dbraw/zinc/99/43/85/495994385.db2.gz RPAHBMRHAALEJL-FQEVSTJZSA-N 2 0 358.530 3.019 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000177488912 496083756 /nfs/dbraw/zinc/08/37/56/496083756.db2.gz RUYCGUNHOXUFDV-OALUTQOASA-N 2 0 371.525 3.148 20 30 FGEDRP CCc1cccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000178567075 496501072 /nfs/dbraw/zinc/50/10/72/496501072.db2.gz OFFWMFUCSYUIHQ-UHFFFAOYSA-N 2 0 366.509 3.133 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418824 497435071 /nfs/dbraw/zinc/43/50/71/497435071.db2.gz OSBIAFXCFLYMQH-YLJYHZDGSA-N 2 0 366.513 3.021 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292996289 498227947 /nfs/dbraw/zinc/22/79/47/498227947.db2.gz OLDDESHXHJLEJN-SIKLNZKXSA-N 2 0 368.525 3.048 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000290464717 498562055 /nfs/dbraw/zinc/56/20/55/498562055.db2.gz WRMAXEINXIBZHJ-QGZVFWFLSA-N 2 0 368.481 3.165 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328976879 499004141 /nfs/dbraw/zinc/00/41/41/499004141.db2.gz BWBSINXUVLOIPH-FUHIMQAGSA-N 2 0 361.534 3.024 20 30 FGEDRP C#CCCOc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000288432188 499023626 /nfs/dbraw/zinc/02/36/26/499023626.db2.gz BRLPUFZVHDHUDJ-UHFFFAOYSA-N 2 0 367.493 3.104 20 30 FGEDRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)cc1 ZINC000373224570 499458382 /nfs/dbraw/zinc/45/83/82/499458382.db2.gz WDEFLFXVIJSAMR-CBPXPLCBSA-N 2 0 371.525 3.347 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414825799 499835012 /nfs/dbraw/zinc/83/50/12/499835012.db2.gz HSUMSFJYRNHPPH-CYBMUJFWSA-N 2 0 369.303 3.112 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000421331195 500018809 /nfs/dbraw/zinc/01/88/09/500018809.db2.gz ZMJPBBDKQNUXGZ-HNNXBMFYSA-N 2 0 370.447 3.439 20 30 FGEDRP C=C(C)[C@@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423049700 500335653 /nfs/dbraw/zinc/33/56/53/500335653.db2.gz KGIOCFRIFWQYHQ-RDTXWAMCSA-N 2 0 366.452 3.493 20 30 FGEDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccc(C#N)cc1 ZINC000447529368 500618019 /nfs/dbraw/zinc/61/80/19/500618019.db2.gz JZKLRDPMNUMFSN-OAQYLSRUSA-N 2 0 363.509 3.336 20 30 FGEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000435731223 501019361 /nfs/dbraw/zinc/01/93/61/501019361.db2.gz KIEUXTYRXPKONH-UZLBHIALSA-N 2 0 363.933 3.163 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000611622475 506232976 /nfs/dbraw/zinc/23/29/76/506232976.db2.gz LHLTUARJGOYJNC-GGAORHGYSA-N 2 0 361.489 3.292 20 30 FGEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000596058103 506232997 /nfs/dbraw/zinc/23/29/97/506232997.db2.gz CUCPFRQQSYRPLM-QFIPXVFZSA-N 2 0 366.553 3.234 20 30 FGEDRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000598993371 506266664 /nfs/dbraw/zinc/26/66/64/506266664.db2.gz ANQIWJFYSLZSMP-GOSISDBHSA-N 2 0 351.498 3.285 20 30 FGEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481924578 501920098 /nfs/dbraw/zinc/92/00/98/501920098.db2.gz PBJALGLXKRKJIU-XMSQKQJNSA-N 2 0 354.542 3.189 20 30 FGEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489677721 503008775 /nfs/dbraw/zinc/00/87/75/503008775.db2.gz LOTVOFGSKMDLQI-HXUWFJFHSA-N 2 0 369.553 3.420 20 30 FGEDRP C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000533295902 503795331 /nfs/dbraw/zinc/79/53/31/503795331.db2.gz NDKHOHANLKFGBS-IRXDYDNUSA-N 2 0 374.554 3.150 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000530939622 504136884 /nfs/dbraw/zinc/13/68/84/504136884.db2.gz HGNJSPOLCZMIAX-CALCHBBNSA-N 2 0 359.489 3.409 20 30 FGEDRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000538507893 504267888 /nfs/dbraw/zinc/26/78/88/504267888.db2.gz KBNOKJCKIQINRE-KRWDZBQOSA-N 2 0 358.505 3.298 20 30 FGEDRP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548717103 504539608 /nfs/dbraw/zinc/53/96/08/504539608.db2.gz VETORADBSMGWPY-UHFFFAOYSA-N 2 0 370.541 3.103 20 30 FGEDRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560532370 505117387 /nfs/dbraw/zinc/11/73/87/505117387.db2.gz YXVNRJKRFGOZRX-OALUTQOASA-N 2 0 354.542 3.485 20 30 FGEDRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000583142439 506613163 /nfs/dbraw/zinc/61/31/63/506613163.db2.gz WIUHBVRWEFYKCB-OAQYLSRUSA-N 2 0 364.493 3.053 20 30 FGEDRP CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029873 506764802 /nfs/dbraw/zinc/76/48/02/506764802.db2.gz ZRLOXCZRVOMKSN-UHFFFAOYSA-N 2 0 364.493 3.471 20 30 FGEDRP N#Cc1ccc(Cl)cc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000609891999 507040268 /nfs/dbraw/zinc/04/02/68/507040268.db2.gz ZXXBGUHGBLSWLU-UHFFFAOYSA-N 2 0 355.873 3.231 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000594919568 507315341 /nfs/dbraw/zinc/31/53/41/507315341.db2.gz BNAPEXCSIOFFRG-WIYYLYMNSA-N 2 0 355.526 3.468 20 30 FGEDRP CN(c1ccccc1C[NH2+]CCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000594955643 507331092 /nfs/dbraw/zinc/33/10/92/507331092.db2.gz QTXYQZCRVCAHGS-UHFFFAOYSA-N 2 0 362.521 3.421 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595074755 507379689 /nfs/dbraw/zinc/37/96/89/507379689.db2.gz WFYZJHYXKONKJZ-FYYLOGMGSA-N 2 0 361.489 3.292 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(C(F)(F)F)c1 ZINC000595894759 507732109 /nfs/dbraw/zinc/73/21/09/507732109.db2.gz YZROQCBZTCUWDG-WMZOPIPTSA-N 2 0 367.415 3.295 20 30 FGEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896148 507732468 /nfs/dbraw/zinc/73/24/68/507732468.db2.gz HAVXCSMWPCRNSU-NXHRZFHOSA-N 2 0 367.415 3.438 20 30 FGEDRP N#CC1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000602518942 507735185 /nfs/dbraw/zinc/73/51/85/507735185.db2.gz AMAMXEKXXVABSY-UHFFFAOYSA-N 2 0 354.542 3.256 20 30 FGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000602535769 507740755 /nfs/dbraw/zinc/74/07/55/507740755.db2.gz SEHSHHSJFDMYBP-SFHVURJKSA-N 2 0 359.514 3.206 20 30 FGEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000118161334 700607770 /nfs/dbraw/zinc/60/77/70/700607770.db2.gz IOIKAZUGEXJCOY-ZBFHGGJFSA-N 2 0 354.420 3.179 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154439793 705035059 /nfs/dbraw/zinc/03/50/59/705035059.db2.gz ZNQDESYMTGHGNZ-SFHVURJKSA-N 2 0 365.949 3.496 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160289401 705249210 /nfs/dbraw/zinc/24/92/10/705249210.db2.gz YHYWVYOORDOFPL-QGZVFWFLSA-N 2 0 365.949 3.495 20 30 FGEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262432454 713725642 /nfs/dbraw/zinc/72/56/42/713725642.db2.gz FLBQDJXOWMLXSL-GOSISDBHSA-N 2 0 360.571 3.018 20 30 FGEDRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCSCC#N)C2)ccn1 ZINC000856600247 732040734 /nfs/dbraw/zinc/04/07/34/732040734.db2.gz RVRSAVSBFYSYME-IBGZPJMESA-N 2 0 362.543 3.022 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081094955 493831211 /nfs/dbraw/zinc/83/12/11/493831211.db2.gz CESJQWQWRMTMAZ-RDTXWAMCSA-N 2 0 362.905 3.202 20 30 FGEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000122058296 494916873 /nfs/dbraw/zinc/91/68/73/494916873.db2.gz RYCKCFAIXOZFOO-UHFFFAOYSA-N 2 0 359.514 3.137 20 30 FGEDRP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000123354718 495119700 /nfs/dbraw/zinc/11/97/00/495119700.db2.gz WNDCXPWUETUXPI-UHFFFAOYSA-N 2 0 353.470 3.162 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+](C)C(C)C)cc1OC ZINC000104162935 495270213 /nfs/dbraw/zinc/27/02/13/495270213.db2.gz MLZVBWGKBOIPJR-UHFFFAOYSA-N 2 0 370.497 3.471 20 30 FGEDRP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)N2CCCCC2)cc1OC ZINC000104154295 495270332 /nfs/dbraw/zinc/27/03/32/495270332.db2.gz GQUHWRRECBXBOY-INIZCTEOSA-N 2 0 372.469 3.251 20 30 FGEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000104180747 495270723 /nfs/dbraw/zinc/27/07/23/495270723.db2.gz WGMMZBMSERDIFA-OAHLLOKOSA-N 2 0 358.511 3.396 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000106034055 495405288 /nfs/dbraw/zinc/40/52/88/495405288.db2.gz ZCPPNIBPAKNDGR-IBGZPJMESA-N 2 0 373.516 3.194 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000106330421 495445442 /nfs/dbraw/zinc/44/54/42/495445442.db2.gz AUXZXWIGLCVSON-IBGZPJMESA-N 2 0 352.567 3.083 20 30 FGEDRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000185811522 495734211 /nfs/dbraw/zinc/73/42/11/495734211.db2.gz ZKLKWVIXWCHTQH-ICSRJNTNSA-N 2 0 371.525 3.348 20 30 FGEDRP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000180068817 495843816 /nfs/dbraw/zinc/84/38/16/495843816.db2.gz CWIHWEGPWYORTM-KRWDZBQOSA-N 2 0 351.498 3.170 20 30 FGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000574611992 505814014 /nfs/dbraw/zinc/81/40/14/505814014.db2.gz RFGBGHPOHKNAFB-GMAHTHKFSA-N 2 0 361.489 3.292 20 30 FGEDRP COc1ccc(C#N)cc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155915186 496105697 /nfs/dbraw/zinc/10/56/97/496105697.db2.gz LUUDUORUZZWWNB-HDICACEKSA-N 2 0 371.525 3.278 20 30 FGEDRP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000181502459 496421736 /nfs/dbraw/zinc/42/17/36/496421736.db2.gz MMEFPAZRCGBGNN-MOPGFXCFSA-N 2 0 354.542 3.233 20 30 FGEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045571 496647873 /nfs/dbraw/zinc/64/78/73/496647873.db2.gz KNXYQGCKCSKFCK-QFIPXVFZSA-N 2 0 368.569 3.480 20 30 FGEDRP CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000191473084 496775039 /nfs/dbraw/zinc/77/50/39/496775039.db2.gz DHUJZLOFGOZYTN-UHFFFAOYSA-N 2 0 353.470 3.058 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000572148023 505901135 /nfs/dbraw/zinc/90/11/35/505901135.db2.gz NJEZAXQAMOMVIR-ONCXSQPRSA-N 2 0 356.489 3.176 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936058 497578892 /nfs/dbraw/zinc/57/88/92/497578892.db2.gz JCKLUZZFLPFKDQ-JXFKEZNVSA-N 2 0 351.498 3.121 20 30 FGEDRP CC1CC[NH+](CC2CCN(CC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000360237084 498259290 /nfs/dbraw/zinc/25/92/90/498259290.db2.gz IASXNGHEDQBQLI-UHFFFAOYSA-N 2 0 360.527 3.002 20 30 FGEDRP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366884450 499105524 /nfs/dbraw/zinc/10/55/24/499105524.db2.gz NSPILRAONXMGFT-LJQANCHMSA-N 2 0 368.525 3.130 20 30 FGEDRP CN(Cc1cccc(OCCCC#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367430287 499197983 /nfs/dbraw/zinc/19/79/83/499197983.db2.gz KFSYOPITEAAHGU-UHFFFAOYSA-N 2 0 371.525 3.444 20 30 FGEDRP Cc1cn2c(n1)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000373200543 499457019 /nfs/dbraw/zinc/45/70/19/499457019.db2.gz HRMCEYPVMAVCAX-GOSISDBHSA-N 2 0 360.465 3.131 20 30 FGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000414309917 499776540 /nfs/dbraw/zinc/77/65/40/499776540.db2.gz RYAJTOMYAQCVQJ-QFIPXVFZSA-N 2 0 361.489 3.162 20 30 FGEDRP CN(C(=O)c1cscc1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000570417204 506163902 /nfs/dbraw/zinc/16/39/02/506163902.db2.gz UBUJVSCLPAEDLY-MOPGFXCFSA-N 2 0 374.554 3.029 20 30 FGEDRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C[C@H]1C ZINC000442827201 500632009 /nfs/dbraw/zinc/63/20/09/500632009.db2.gz KWKGMDIGDLMYOJ-RMVXJAJNSA-N 2 0 355.526 3.478 20 30 FGEDRP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602677996 506258476 /nfs/dbraw/zinc/25/84/76/506258476.db2.gz ZAMXJNYAKMTOBE-FPOVZHCZSA-N 2 0 355.526 3.445 20 30 FGEDRP N#CC1(C[C@@H](O)C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000602864104 506330411 /nfs/dbraw/zinc/33/04/11/506330411.db2.gz QCCYYPMXOVFTDS-OAQYLSRUSA-N 2 0 367.537 3.419 20 30 FGEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511874591 503405781 /nfs/dbraw/zinc/40/57/81/503405781.db2.gz NBXJBLBHEVGMCE-FQEVSTJZSA-N 2 0 362.521 3.369 20 30 FGEDRP CC[N@H+](CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000537994553 504106233 /nfs/dbraw/zinc/10/62/33/504106233.db2.gz GJDVCWSVONPUHU-NRFANRHFSA-N 2 0 364.578 3.121 20 30 FGEDRP C=C(C)C[NH+]1CCC(NCc2ccc(OC)c(O)c2Br)CC1 ZINC000544836297 504275011 /nfs/dbraw/zinc/27/50/11/504275011.db2.gz LHGAAHCZARNLDN-UHFFFAOYSA-N 2 0 369.303 3.293 20 30 FGEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323599 506539895 /nfs/dbraw/zinc/53/98/95/506539895.db2.gz QWKUQDYXFYFRKY-INIZCTEOSA-N 2 0 363.509 3.036 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000599659834 506559886 /nfs/dbraw/zinc/55/98/86/506559886.db2.gz KKMLQRNUGXYRHK-QGZVFWFLSA-N 2 0 364.493 3.469 20 30 FGEDRP C[C@@H](NC(C)(C)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258164 506681306 /nfs/dbraw/zinc/68/13/06/506681306.db2.gz KQQLWPQGWVHKQA-XLIONFOSSA-N 2 0 367.493 3.017 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594441529 507135989 /nfs/dbraw/zinc/13/59/89/507135989.db2.gz SJMUTTFEHKFXGB-PXNSSMCTSA-N 2 0 356.514 3.088 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cc2)CC1 ZINC000594956925 507330867 /nfs/dbraw/zinc/33/08/67/507330867.db2.gz YFDFWSAEIADXKJ-UHFFFAOYSA-N 2 0 353.510 3.222 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000594974191 507338215 /nfs/dbraw/zinc/33/82/15/507338215.db2.gz HMYMRCQIIMIAJJ-QFIPXVFZSA-N 2 0 363.505 3.344 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595074758 507379191 /nfs/dbraw/zinc/37/91/91/507379191.db2.gz WFYZJHYXKONKJZ-JTHBVZDNSA-N 2 0 361.489 3.292 20 30 FGEDRP CCc1cnc(CNC(NC2CC[NH+](C3CCCCC3)CC2)=[NH+]C)s1 ZINC000130731611 700805587 /nfs/dbraw/zinc/80/55/87/700805587.db2.gz STDHHRZKYVJROA-UHFFFAOYSA-N 2 0 363.575 3.168 20 30 FGEDRP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303872216 713789559 /nfs/dbraw/zinc/78/95/59/713789559.db2.gz BWWYNFIFBBYTGJ-CHWSQXEVSA-N 2 0 358.408 3.432 20 30 FGEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000305240051 713792989 /nfs/dbraw/zinc/79/29/89/713792989.db2.gz QRBJBMKSFIRDAX-CHWSQXEVSA-N 2 0 358.408 3.432 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(C#N)s3)CC2)CC1 ZINC000374286659 713910483 /nfs/dbraw/zinc/91/04/83/713910483.db2.gz YYAOGXQWMQNDEK-UHFFFAOYSA-N 2 0 360.571 3.248 20 30 FGEDRP C#CCOc1ccc(Br)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000817415974 727249369 /nfs/dbraw/zinc/24/93/69/727249369.db2.gz DSJRXOBLYXVXLN-UHFFFAOYSA-N 2 0 365.315 3.424 20 30 FGEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079331 731226719 /nfs/dbraw/zinc/22/67/19/731226719.db2.gz IOIKAZUGEXJCOY-GOEBONIOSA-N 2 0 354.420 3.388 20 30 FGEDRP CCC[N@@H+]1CC[C@@H](C[NH+]=C(NCCc2cccs2)NC(C)(C)C)C1 ZINC000912505929 757341063 /nfs/dbraw/zinc/34/10/63/757341063.db2.gz JVXKAMKTHRSCHN-INIZCTEOSA-N 2 0 350.576 3.356 20 30 FGEDRP C=C(Cl)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961370430 762747233 /nfs/dbraw/zinc/74/72/33/762747233.db2.gz CPPBACOKTXRKJX-BHIYHBOVSA-N 2 0 367.965 3.030 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000052713766 494055926 /nfs/dbraw/zinc/05/59/26/494055926.db2.gz RXXKKVXXYZNBAB-UHFFFAOYSA-N 2 0 368.525 3.475 20 30 FGEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000079307444 494434487 /nfs/dbraw/zinc/43/44/87/494434487.db2.gz JHLITYJAZSCOFR-GOSISDBHSA-N 2 0 370.541 3.349 20 30 FGEDRP N#Cc1cccc(NC(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121603339 494817870 /nfs/dbraw/zinc/81/78/70/494817870.db2.gz ZAQMZOGRFXJHQT-UHFFFAOYSA-N 2 0 354.498 3.085 20 30 FGEDRP CN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1(C#N)CCCCC1 ZINC000121846699 494873619 /nfs/dbraw/zinc/87/36/19/494873619.db2.gz HTQCEDFGVPAMST-UHFFFAOYSA-N 2 0 374.573 3.259 20 30 FGEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000112648741 495217471 /nfs/dbraw/zinc/21/74/71/495217471.db2.gz DDVUAPZYUTZZTN-FQEVSTJZSA-N 2 0 368.525 3.331 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000106255907 495439857 /nfs/dbraw/zinc/43/98/57/495439857.db2.gz NMIAJOWHOZRQLY-UHFFFAOYSA-N 2 0 372.557 3.368 20 30 FGEDRP COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694894 495684227 /nfs/dbraw/zinc/68/42/27/495684227.db2.gz LMLQPQVGJBTMRD-AEFFLSMTSA-N 2 0 357.498 3.188 20 30 FGEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(C#N)o3)CC2)c1 ZINC000174258206 495884111 /nfs/dbraw/zinc/88/41/11/495884111.db2.gz BJSSEXRIENKTFU-UHFFFAOYSA-N 2 0 352.482 3.152 20 30 FGEDRP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c(F)c1 ZINC000160136278 495892762 /nfs/dbraw/zinc/89/27/62/495892762.db2.gz LMZNCVJQPUINDX-LJQANCHMSA-N 2 0 356.489 3.130 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163273437 496491315 /nfs/dbraw/zinc/49/13/15/496491315.db2.gz NIYGANLYMPKLTM-UHFFFAOYSA-N 2 0 369.553 3.445 20 30 FGEDRP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000264067915 496804561 /nfs/dbraw/zinc/80/45/61/496804561.db2.gz FKFJGVIWQQPUKA-HNNXBMFYSA-N 2 0 374.510 3.329 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000305071180 498734934 /nfs/dbraw/zinc/73/49/34/498734934.db2.gz TVQIVAPNESYERZ-IBGZPJMESA-N 2 0 366.509 3.124 20 30 FGEDRP CC(C)(CCC#N)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367674813 499223810 /nfs/dbraw/zinc/22/38/10/499223810.db2.gz WHNACLMQXDDNRL-OAQYLSRUSA-N 2 0 354.542 3.208 20 30 FGEDRP CC[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080952 499660078 /nfs/dbraw/zinc/66/00/78/499660078.db2.gz GVUIVGIRPQASAR-GIVPXCGWSA-N 2 0 351.498 3.416 20 30 FGEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422980671 500326874 /nfs/dbraw/zinc/32/68/74/500326874.db2.gz QKXDVAXLDFJRFG-MAUKXSAKSA-N 2 0 367.472 3.179 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)C(C)C ZINC000448462147 500761878 /nfs/dbraw/zinc/76/18/78/500761878.db2.gz QXCCCJHOYNKWAE-HSALFYBXSA-N 2 0 364.578 3.057 20 30 FGEDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916253 501917502 /nfs/dbraw/zinc/91/75/02/501917502.db2.gz NHYJBGWRVSTMFV-QFIPXVFZSA-N 2 0 354.542 3.333 20 30 FGEDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000471192435 501951286 /nfs/dbraw/zinc/95/12/86/501951286.db2.gz YXPIDMYFNSCRJE-UHFFFAOYSA-N 2 0 362.521 3.295 20 30 FGEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535679926 504505089 /nfs/dbraw/zinc/50/50/89/504505089.db2.gz HSZKPLORQPBAFF-UHFFFAOYSA-N 2 0 367.537 3.175 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589596 504704168 /nfs/dbraw/zinc/70/41/68/504704168.db2.gz YTXSKISQHKEKOZ-RHSMWYFYSA-N 2 0 362.905 3.345 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000558788588 505492556 /nfs/dbraw/zinc/49/25/56/505492556.db2.gz VRGQDMUTWOPYJZ-FDFHNCONSA-N 2 0 353.510 3.293 20 30 FGEDRP C[C@H](NC(C)(C)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258163 506681499 /nfs/dbraw/zinc/68/14/99/506681499.db2.gz KQQLWPQGWVHKQA-PXNSSMCTSA-N 2 0 367.493 3.017 20 30 FGEDRP C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000583557594 506847215 /nfs/dbraw/zinc/84/72/15/506847215.db2.gz QWIRRDKXBKRPEU-SFHVURJKSA-N 2 0 361.555 3.011 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000611394620 507660609 /nfs/dbraw/zinc/66/06/09/507660609.db2.gz TUDZIGMPQFREKE-FKBYEOEOSA-N 2 0 353.510 3.293 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595894624 507731467 /nfs/dbraw/zinc/73/14/67/507731467.db2.gz XRWZIPCNKPBKKC-ZWKOTPCHSA-N 2 0 367.415 3.295 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595894620 507731482 /nfs/dbraw/zinc/73/14/82/507731482.db2.gz XRWZIPCNKPBKKC-MSOLQXFVSA-N 2 0 367.415 3.295 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000151001255 704908528 /nfs/dbraw/zinc/90/85/28/704908528.db2.gz MNMFZBXJTIIORA-QGZVFWFLSA-N 2 0 365.949 3.495 20 30 FGEDRP [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303895547 713790197 /nfs/dbraw/zinc/79/01/97/713790197.db2.gz TYWSICOLTWBBNI-HNNXBMFYSA-N 2 0 362.568 3.169 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303902564 713790273 /nfs/dbraw/zinc/79/02/73/713790273.db2.gz XXFVCAUYRJCUIM-ZDUSSCGKSA-N 2 0 358.408 3.432 20 30 FGEDRP N#Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898520206 742804043 /nfs/dbraw/zinc/80/40/43/742804043.db2.gz VUKSXGBRWMOHNW-FGTMMUONSA-N 2 0 352.507 3.405 20 30 FGEDRP C[C@]1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC[NH2+]C1 ZINC000904427903 743954577 /nfs/dbraw/zinc/95/45/77/743954577.db2.gz AEFZLIQAUJPGHG-AEJSXWLSSA-N 2 0 366.296 3.089 20 30 FGEDRP N#Cc1cc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cs1 ZINC000921700764 758772655 /nfs/dbraw/zinc/77/26/55/758772655.db2.gz UYLAIOHYIKLRQM-HXUWFJFHSA-N 2 0 355.507 3.155 20 30 FGEDRP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090107095 494443507 /nfs/dbraw/zinc/44/35/07/494443507.db2.gz CXFNXJWOFXDGRT-QGZVFWFLSA-N 2 0 353.466 3.228 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](CCC(C)C)CC2)cc1OC ZINC000079918188 494549376 /nfs/dbraw/zinc/54/93/76/494549376.db2.gz VEBWPTAYDUWURM-UHFFFAOYSA-N 2 0 362.518 3.189 20 30 FGEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[C@H]1CCC[N@H+]1C ZINC000125322390 495425883 /nfs/dbraw/zinc/42/58/83/495425883.db2.gz BPNNSEPCFWJMCM-QGZVFWFLSA-N 2 0 363.575 3.069 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106265769 495441010 /nfs/dbraw/zinc/44/10/10/495441010.db2.gz WNBGQQXKKHDJOP-HDICACEKSA-N 2 0 364.578 3.083 20 30 FGEDRP CC1CC[NH+](C2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000131082099 495489883 /nfs/dbraw/zinc/48/98/83/495489883.db2.gz BTSSVLYQFIRNSA-UHFFFAOYSA-N 2 0 351.498 3.339 20 30 FGEDRP C=CCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000185863551 495754950 /nfs/dbraw/zinc/75/49/50/495754950.db2.gz BATJSGASGXXMTL-INIZCTEOSA-N 2 0 351.922 3.020 20 30 FGEDRP Cn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180044682 495835284 /nfs/dbraw/zinc/83/52/84/495835284.db2.gz UKTDUYSMKNXHMG-UHFFFAOYSA-N 2 0 359.477 3.310 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155134340 495848725 /nfs/dbraw/zinc/84/87/25/495848725.db2.gz JTWGIJSLGQMAGJ-DLBZAZTESA-N 2 0 351.922 3.104 20 30 FGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180274769 495932112 /nfs/dbraw/zinc/93/21/12/495932112.db2.gz VYMOTAHNHJPVQW-KRWDZBQOSA-N 2 0 350.466 3.379 20 30 FGEDRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000183683314 496076775 /nfs/dbraw/zinc/07/67/75/496076775.db2.gz YGWWQQIHVWLGRL-HNNXBMFYSA-N 2 0 359.433 3.342 20 30 FGEDRP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)nc1 ZINC000161645426 496214288 /nfs/dbraw/zinc/21/42/88/496214288.db2.gz HUETVGFZSQGKIC-UHFFFAOYSA-N 2 0 367.541 3.309 20 30 FGEDRP C[NH+](C)CC1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182055453 496651490 /nfs/dbraw/zinc/65/14/90/496651490.db2.gz RAOXDLDVFZUXSV-UHFFFAOYSA-N 2 0 354.542 3.233 20 30 FGEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189790416 497244913 /nfs/dbraw/zinc/24/49/13/497244913.db2.gz XHBLVMKBGSVUEE-SFHVURJKSA-N 2 0 370.541 3.179 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000271080244 497260009 /nfs/dbraw/zinc/26/00/09/497260009.db2.gz QNTPAWRVAPYDFP-ORFBVSJDSA-N 2 0 355.526 3.217 20 30 FGEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000285253103 498034281 /nfs/dbraw/zinc/03/42/81/498034281.db2.gz ZFXKQQSLZJHXTP-FXAWDEMLSA-N 2 0 368.529 3.353 20 30 FGEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000299349012 499031669 /nfs/dbraw/zinc/03/16/69/499031669.db2.gz XSCYCQHUCCZTRL-UHFFFAOYSA-N 2 0 366.509 3.267 20 30 FGEDRP COc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1C#N ZINC000284174239 499062207 /nfs/dbraw/zinc/06/22/07/499062207.db2.gz XEYWZYKWCUDIMZ-UHFFFAOYSA-N 2 0 365.477 3.330 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000371497098 499334427 /nfs/dbraw/zinc/33/44/27/499334427.db2.gz IYSIFPMHDDIHNH-KNQAVFIVSA-N 2 0 367.537 3.016 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000415062420 499859852 /nfs/dbraw/zinc/85/98/52/499859852.db2.gz MIRRYOMFOXRQBG-GFCCVEGCSA-N 2 0 357.292 3.240 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417546366 500103513 /nfs/dbraw/zinc/10/35/13/500103513.db2.gz ZDORPLKVAISBRA-HXUWFJFHSA-N 2 0 358.530 3.150 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333271 500443193 /nfs/dbraw/zinc/44/31/93/500443193.db2.gz FHJOZRIGPDPHDM-VQIMIIECSA-N 2 0 361.555 3.115 20 30 FGEDRP CC[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447508346 500614123 /nfs/dbraw/zinc/61/41/23/500614123.db2.gz QXOVYECPJAYVRT-HSZRJFAPSA-N 2 0 362.521 3.417 20 30 FGEDRP CC1(C#N)CCC([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000449079360 500919646 /nfs/dbraw/zinc/91/96/46/500919646.db2.gz YIXAQEQMXHZJHO-UHFFFAOYSA-N 2 0 354.542 3.256 20 30 FGEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000435731220 501019391 /nfs/dbraw/zinc/01/93/91/501019391.db2.gz KIEUXTYRXPKONH-JXFKEZNVSA-N 2 0 363.933 3.163 20 30 FGEDRP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602677997 506258155 /nfs/dbraw/zinc/25/81/55/506258155.db2.gz ZAMXJNYAKMTOBE-PZJWPPBQSA-N 2 0 355.526 3.445 20 30 FGEDRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H]2CCC[C@H]21 ZINC000556893593 505008996 /nfs/dbraw/zinc/00/89/96/505008996.db2.gz VZKBVOFBZLEPIM-RNUBBMKBSA-N 2 0 354.498 3.106 20 30 FGEDRP C=CCC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000560527908 505115796 /nfs/dbraw/zinc/11/57/96/505115796.db2.gz GRYDXOOWEUIDDF-FQEVSTJZSA-N 2 0 354.498 3.484 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716355 507078155 /nfs/dbraw/zinc/07/81/55/507078155.db2.gz KPKDVSVCBLCXTK-UEXGIBASSA-N 2 0 355.526 3.309 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121081683 700665416 /nfs/dbraw/zinc/66/54/16/700665416.db2.gz UXSFXLFTLJQHST-FUHWJXTLSA-N 2 0 365.949 3.352 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186597778 712723605 /nfs/dbraw/zinc/72/36/05/712723605.db2.gz ALZXJKULQHHOBE-ZWKOTPCHSA-N 2 0 365.949 3.495 20 30 FGEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)CC(C)C ZINC000303783912 713788418 /nfs/dbraw/zinc/78/84/18/713788418.db2.gz OQZMWFWSLPDQCL-HNNXBMFYSA-N 2 0 350.507 3.187 20 30 FGEDRP Cc1ccc([C@H](CNC(=[NH2+])NCCc2cccs2)[NH+]2CCCC2)cc1 ZINC000303881874 713789504 /nfs/dbraw/zinc/78/95/04/713789504.db2.gz LDXQLYLQUFZUDS-IBGZPJMESA-N 2 0 356.539 3.340 20 30 FGEDRP C=C(C)COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1OC ZINC000134138197 495111940 /nfs/dbraw/zinc/11/19/40/495111940.db2.gz MRHILUQFIAYQDE-UHFFFAOYSA-N 2 0 374.525 3.194 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000176963386 495860423 /nfs/dbraw/zinc/86/04/23/495860423.db2.gz VQYBCNROKSMQLT-CQSZACIVSA-N 2 0 358.486 3.361 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181415177 496385349 /nfs/dbraw/zinc/38/53/49/496385349.db2.gz QZSNUGXWOZAURT-LJQANCHMSA-N 2 0 354.542 3.377 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513567 496427274 /nfs/dbraw/zinc/42/72/74/496427274.db2.gz KTDGCRGWCJUGJU-BGYRXZFFSA-N 2 0 368.569 3.480 20 30 FGEDRP C[NH+](C)CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000181763609 496534398 /nfs/dbraw/zinc/53/43/98/496534398.db2.gz GBCXMQAAFXIVLJ-OAQYLSRUSA-N 2 0 356.558 3.479 20 30 FGEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182265994 496723289 /nfs/dbraw/zinc/72/32/89/496723289.db2.gz VJRUIBBASIAYOS-AVRDEDQJSA-N 2 0 364.489 3.116 20 30 FGEDRP [NH2+]=C(Nc1ccc(OC(F)(F)F)cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000262462725 497561147 /nfs/dbraw/zinc/56/11/47/497561147.db2.gz MYHDEJCHCVJDPV-UHFFFAOYSA-N 2 0 356.392 3.329 20 30 FGEDRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000328940397 498993335 /nfs/dbraw/zinc/99/33/35/498993335.db2.gz KSHSEKPOUOZRSC-AQNXPRMDSA-N 2 0 363.546 3.118 20 30 FGEDRP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000411502721 499748234 /nfs/dbraw/zinc/74/82/34/499748234.db2.gz JMTMLDHJIHSXAE-UHFFFAOYSA-N 2 0 365.481 3.276 20 30 FGEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426436204 500272287 /nfs/dbraw/zinc/27/22/87/500272287.db2.gz HKJYIOLJUVAULT-LJQANCHMSA-N 2 0 368.443 3.490 20 30 FGEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000435727684 501019054 /nfs/dbraw/zinc/01/90/54/501019054.db2.gz DRWVAAJPNYFQHM-UNMCSNQZSA-N 2 0 357.542 3.289 20 30 FGEDRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000596059248 506232646 /nfs/dbraw/zinc/23/26/46/506232646.db2.gz NQXGRLFBONSAFC-LJQANCHMSA-N 2 0 363.509 3.170 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000482148098 501990142 /nfs/dbraw/zinc/99/01/42/501990142.db2.gz YMMHRCVPBGTMIL-AZUAARDMSA-N 2 0 356.514 3.377 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)C(C)C ZINC000483676626 502460023 /nfs/dbraw/zinc/46/00/23/502460023.db2.gz BZEJHOHIEBXZJN-XUVXKRRUSA-N 2 0 364.578 3.199 20 30 FGEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481175467 502772504 /nfs/dbraw/zinc/77/25/04/502772504.db2.gz KHANMUJXKYOBMB-SVFBPWRDSA-N 2 0 357.542 3.300 20 30 FGEDRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000538397159 504233949 /nfs/dbraw/zinc/23/39/49/504233949.db2.gz SCYGUYSTWYJPAP-FQEVSTJZSA-N 2 0 362.521 3.417 20 30 FGEDRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000538397160 504234354 /nfs/dbraw/zinc/23/43/54/504234354.db2.gz SCYGUYSTWYJPAP-HXUWFJFHSA-N 2 0 362.521 3.417 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000520696027 504559849 /nfs/dbraw/zinc/55/98/49/504559849.db2.gz SHBRIUMTVMOVDY-HXUWFJFHSA-N 2 0 364.578 3.227 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440980 507134983 /nfs/dbraw/zinc/13/49/83/507134983.db2.gz KIPPFECLZNSZIJ-OPYAIIAOSA-N 2 0 370.541 3.192 20 30 FGEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000594440884 507135189 /nfs/dbraw/zinc/13/51/89/507135189.db2.gz IXBBTELOOZLJHM-YSIASYRMSA-N 2 0 356.514 3.082 20 30 FGEDRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N)C1CCCCC1 ZINC000594441310 507135971 /nfs/dbraw/zinc/13/59/71/507135971.db2.gz QTBHQMRQUQOIKT-NRFANRHFSA-N 2 0 370.541 3.479 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000614163108 507388909 /nfs/dbraw/zinc/38/89/09/507388909.db2.gz UQLPMYDNWRQJQA-UHFFFAOYSA-N 2 0 355.526 3.422 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000598593946 507510557 /nfs/dbraw/zinc/51/05/57/507510557.db2.gz YKGBLFSAIJWLDM-HKBOAZHASA-N 2 0 355.526 3.274 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000602546285 507744542 /nfs/dbraw/zinc/74/45/42/507744542.db2.gz JDCLTNNZUZGMFE-LJQANCHMSA-N 2 0 371.525 3.350 20 30 FGEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccc2c(c1)CCC2 ZINC000303898726 713790183 /nfs/dbraw/zinc/79/01/83/713790183.db2.gz VRDOKJXSLNEESC-UHFFFAOYSA-N 2 0 358.555 3.264 20 30 FGEDRP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000303900078 713790223 /nfs/dbraw/zinc/79/02/23/713790223.db2.gz WMTBWJZZWSQAKE-ZDUSSCGKSA-N 2 0 358.408 3.432 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000121693540 494839260 /nfs/dbraw/zinc/83/92/60/494839260.db2.gz LNBVCIXJXIJBHZ-IAGOWNOFSA-N 2 0 359.489 3.409 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000106263996 495441161 /nfs/dbraw/zinc/44/11/61/495441161.db2.gz YLCLZYGREUWKIU-RTBURBONSA-N 2 0 364.578 3.084 20 30 FGEDRP CC(C)(C#N)CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159332562 495711559 /nfs/dbraw/zinc/71/15/59/495711559.db2.gz SCYLGKUZJLEFGF-UHFFFAOYSA-N 2 0 362.562 3.021 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155134216 495848510 /nfs/dbraw/zinc/84/85/10/495848510.db2.gz JTWGIJSLGQMAGJ-SJORKVTESA-N 2 0 351.922 3.104 20 30 FGEDRP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387171 495851178 /nfs/dbraw/zinc/85/11/78/495851178.db2.gz DCCQBLZOKBKVQS-LVIWNVNYSA-N 2 0 374.573 3.114 20 30 FGEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180274786 495932610 /nfs/dbraw/zinc/93/26/10/495932610.db2.gz VYMOTAHNHJPVQW-QGZVFWFLSA-N 2 0 350.466 3.379 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180553231 496042059 /nfs/dbraw/zinc/04/20/59/496042059.db2.gz VGBNGPALJJWZDB-QGZVFWFLSA-N 2 0 353.466 3.380 20 30 FGEDRP CCOc1ncccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181469458 496409704 /nfs/dbraw/zinc/40/97/04/496409704.db2.gz ZOLLEUAQZAMTDA-UHFFFAOYSA-N 2 0 350.466 3.106 20 30 FGEDRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000181524407 496432605 /nfs/dbraw/zinc/43/26/05/496432605.db2.gz SURVEVAXZCEUBP-KRWDZBQOSA-N 2 0 353.466 3.380 20 30 FGEDRP C[N@@H+]1CCC[C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248096 496816062 /nfs/dbraw/zinc/81/60/62/496816062.db2.gz XBHUSKMGZKTFNE-TZIWHRDSSA-N 2 0 363.509 3.380 20 30 FGEDRP Cc1cc2c[nH]nc2c(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000329651505 497858270 /nfs/dbraw/zinc/85/82/70/497858270.db2.gz KJXBCIZHWXAXOB-UHFFFAOYSA-N 2 0 369.513 3.126 20 30 FGEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC ZINC000367611352 499217470 /nfs/dbraw/zinc/21/74/70/499217470.db2.gz BUWTXQTYKAADTF-FCGDIQPGSA-N 2 0 357.498 3.339 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(C#N)c3)CC2)CC1 ZINC000371155578 499294397 /nfs/dbraw/zinc/29/43/97/499294397.db2.gz IGIZWLOHVLBGAY-UHFFFAOYSA-N 2 0 354.542 3.186 20 30 FGEDRP C=CCOc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000414799065 499832435 /nfs/dbraw/zinc/83/24/35/499832435.db2.gz ZWSHCZMEULWHSW-MJGOQNOKSA-N 2 0 350.890 3.233 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CC[NH3+])cc1OCC ZINC000414885616 499841492 /nfs/dbraw/zinc/84/14/92/499841492.db2.gz OWXOEURKCMWJAH-LBPRGKRZSA-N 2 0 357.292 3.240 20 30 FGEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442882060 500639917 /nfs/dbraw/zinc/63/99/17/500639917.db2.gz PGBDPMBUEFROHM-UHFFFAOYSA-N 2 0 359.514 3.137 20 30 FGEDRP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000449732882 501071448 /nfs/dbraw/zinc/07/14/48/501071448.db2.gz DZKKCZUQOUDAJZ-UHFFFAOYSA-N 2 0 352.457 3.129 20 30 FGEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000598993372 506266442 /nfs/dbraw/zinc/26/64/42/506266442.db2.gz ANQIWJFYSLZSMP-SFHVURJKSA-N 2 0 351.498 3.285 20 30 FGEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000503222211 503370448 /nfs/dbraw/zinc/37/04/48/503370448.db2.gz LAYATRKSIKAISN-SJORKVTESA-N 2 0 362.543 3.439 20 30 FGEDRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccc(C#N)o3)cc2)C[C@H]1C ZINC000540653134 503845647 /nfs/dbraw/zinc/84/56/47/503845647.db2.gz IEOCVNANNAZDLZ-QZTJIDSGSA-N 2 0 367.493 3.450 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000540989117 503966465 /nfs/dbraw/zinc/96/64/65/503966465.db2.gz VQVYQWOCXNVONY-BEFAXECRSA-N 2 0 353.441 3.115 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000528451246 504230080 /nfs/dbraw/zinc/23/00/80/504230080.db2.gz WCEYJWKSOUIVKC-IBGZPJMESA-N 2 0 361.917 3.071 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000532589597 504704575 /nfs/dbraw/zinc/70/45/75/504704575.db2.gz YTXSKISQHKEKOZ-WMLDXEAASA-N 2 0 362.905 3.345 20 30 FGEDRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H]2CCC[C@@H]21 ZINC000556893584 505008738 /nfs/dbraw/zinc/00/87/38/505008738.db2.gz VZKBVOFBZLEPIM-PBDJWPIDSA-N 2 0 354.498 3.106 20 30 FGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000564459232 505426174 /nfs/dbraw/zinc/42/61/74/505426174.db2.gz REUOTUQHKZVQBY-QHCPKHFHSA-N 2 0 361.489 3.292 20 30 FGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000582908163 506482438 /nfs/dbraw/zinc/48/24/38/506482438.db2.gz NXCZTDXPXAYYLV-XMMPIXPASA-N 2 0 374.532 3.343 20 30 FGEDRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593703230 506741283 /nfs/dbraw/zinc/74/12/83/506741283.db2.gz RDACAQLROQGUHX-UHFFFAOYSA-N 2 0 354.542 3.375 20 30 FGEDRP CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029818 506764606 /nfs/dbraw/zinc/76/46/06/506764606.db2.gz IGALOTCIUMXCQR-UHFFFAOYSA-N 2 0 364.493 3.471 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000600753201 507100662 /nfs/dbraw/zinc/10/06/62/507100662.db2.gz JFWXYRNMGRBWHY-QGZVFWFLSA-N 2 0 367.415 3.168 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598730339 507570945 /nfs/dbraw/zinc/57/09/45/507570945.db2.gz UCLFRRCICGNCMI-UXHICEINSA-N 2 0 355.526 3.179 20 30 FGEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896147 507731915 /nfs/dbraw/zinc/73/19/15/507731915.db2.gz HAVXCSMWPCRNSU-KBAYOESNSA-N 2 0 367.415 3.438 20 30 FGEDRP COc1cccc(NC(=[NH2+])NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000262549572 713726997 /nfs/dbraw/zinc/72/69/97/713726997.db2.gz XGSUGPZYHIABGJ-UHFFFAOYSA-N 2 0 362.543 3.174 20 30 FGEDRP C=CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CCC[NH2+]1 ZINC000662703385 720453296 /nfs/dbraw/zinc/45/32/96/720453296.db2.gz HGERJNYMOVTMGT-FQEVSTJZSA-N 2 0 359.539 3.181 20 30 FGEDRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCSCC#N)C2)ccn1 ZINC000856600248 732040600 /nfs/dbraw/zinc/04/06/00/732040600.db2.gz RVRSAVSBFYSYME-LJQANCHMSA-N 2 0 362.543 3.022 20 30 FGEDRP N#Cc1cc(C[NH+]2CCCSCC2)cc(C[N@@H+]2CCCSCC2)c1 ZINC000878312842 736805253 /nfs/dbraw/zinc/80/52/53/736805253.db2.gz AVIIYBZVOYUIPK-UHFFFAOYSA-N 2 0 361.580 3.436 20 30 FGEDRP CS[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](SC)C3)c2)C1 ZINC000878665768 736905539 /nfs/dbraw/zinc/90/55/39/736905539.db2.gz LPLHCADQTSVQKA-KDURUIRLSA-N 2 0 361.580 3.433 20 30 FGEDRP FC1(F)[C@@H]2C[NH+](CC[C@@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529279 759142457 /nfs/dbraw/zinc/14/24/57/759142457.db2.gz BRRXLSYTQOUHOC-IVZWLZJFSA-N 2 0 366.296 3.089 20 30 FGEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000069711509 494000357 /nfs/dbraw/zinc/00/03/57/494000357.db2.gz NYWZXOAWDSWXAK-UHFFFAOYSA-N 2 0 366.509 3.267 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000052209547 494011423 /nfs/dbraw/zinc/01/14/23/494011423.db2.gz IZBOFECQZSBZRF-UHFFFAOYSA-N 2 0 370.541 3.377 20 30 FGEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121845652 494873821 /nfs/dbraw/zinc/87/38/21/494873821.db2.gz QOACZLKYKCOJNT-LJQANCHMSA-N 2 0 374.573 3.306 20 30 FGEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000134064496 495100972 /nfs/dbraw/zinc/10/09/72/495100972.db2.gz LBCBQZAUYOHYOC-UHFFFAOYSA-N 2 0 364.917 3.449 20 30 FGEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000104178418 495269908 /nfs/dbraw/zinc/26/99/08/495269908.db2.gz VDZFDYXCCUCSIC-UHFFFAOYSA-N 2 0 356.470 3.082 20 30 FGEDRP C[NH+]=C(NCc1cc(Br)cs1)NC1CC[NH+](C(C)C)CC1 ZINC000114090525 495348065 /nfs/dbraw/zinc/34/80/65/495348065.db2.gz NEADAABZJUPQHQ-UHFFFAOYSA-N 2 0 373.364 3.048 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000106274984 495442039 /nfs/dbraw/zinc/44/20/39/495442039.db2.gz QQAICHFRBRSRHU-UHFFFAOYSA-N 2 0 372.557 3.320 20 30 FGEDRP C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185670920 495672025 /nfs/dbraw/zinc/67/20/25/495672025.db2.gz GYHCRPBQBWVAFN-FUHWJXTLSA-N 2 0 354.498 3.129 20 30 FGEDRP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387165 495851051 /nfs/dbraw/zinc/85/10/51/495851051.db2.gz DCCQBLZOKBKVQS-GSVIPDFHSA-N 2 0 374.573 3.114 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000176949006 495852755 /nfs/dbraw/zinc/85/27/55/495852755.db2.gz BUTHSOYHYBXJOF-UHFFFAOYSA-N 2 0 354.523 3.047 20 30 FGEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045549 496648611 /nfs/dbraw/zinc/64/86/11/496648611.db2.gz KNXYQGCKCSKFCK-JOCHJYFZSA-N 2 0 368.569 3.480 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007435 496750207 /nfs/dbraw/zinc/75/02/07/496750207.db2.gz PJNSMYLPQZFRTG-QUCCMNQESA-N 2 0 368.525 3.473 20 30 FGEDRP [NH2+]=C(Nc1ccccc1OC(F)(F)F)NC1CC([NH+]2CCCCC2)C1 ZINC000262462662 497561082 /nfs/dbraw/zinc/56/10/82/497561082.db2.gz MXLCIOZUFXEFIC-UHFFFAOYSA-N 2 0 356.392 3.329 20 30 FGEDRP C=CCOc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000581518271 506006424 /nfs/dbraw/zinc/00/64/24/506006424.db2.gz UGTIROGVYUSDIM-UHFFFAOYSA-N 2 0 350.528 3.177 20 30 FGEDRP COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000370235630 499200482 /nfs/dbraw/zinc/20/04/82/499200482.db2.gz HITUQZCMBIJMST-RTBURBONSA-N 2 0 366.465 3.429 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000370654805 499240539 /nfs/dbraw/zinc/24/05/39/499240539.db2.gz XHWKHSKBMZIOPS-JRGCBEDISA-N 2 0 373.566 3.270 20 30 FGEDRP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000370675345 499243095 /nfs/dbraw/zinc/24/30/95/499243095.db2.gz DSXNFCJCOJNGTJ-RJGXRXQPSA-N 2 0 361.489 3.046 20 30 FGEDRP C[NH+](C)CC1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433336092 500675057 /nfs/dbraw/zinc/67/50/57/500675057.db2.gz SROWBDWHDIYSAH-UHFFFAOYSA-N 2 0 366.513 3.069 20 30 FGEDRP C=CCOc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1Cl ZINC000449747365 501074706 /nfs/dbraw/zinc/07/47/06/501074706.db2.gz WMTVMOXNODESSU-UHFFFAOYSA-N 2 0 365.949 3.411 20 30 FGEDRP C=CCOCC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459499799 501664451 /nfs/dbraw/zinc/66/44/51/501664451.db2.gz CGXWNHSQOMPMQD-UHFFFAOYSA-N 2 0 363.933 3.129 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728049 506275825 /nfs/dbraw/zinc/27/58/25/506275825.db2.gz HXQAODUIVLZCKH-QKNQBKEWSA-N 2 0 355.526 3.443 20 30 FGEDRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000611812400 506315775 /nfs/dbraw/zinc/31/57/75/506315775.db2.gz VUHHVGYHWJSMDB-UHFFFAOYSA-N 2 0 370.541 3.008 20 30 FGEDRP CCC1([NH+]2CCCC2)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000602952751 506364264 /nfs/dbraw/zinc/36/42/64/506364264.db2.gz AQOHOURRAVHSED-UHFFFAOYSA-N 2 0 360.527 3.289 20 30 FGEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000493644203 503437419 /nfs/dbraw/zinc/43/74/19/503437419.db2.gz SEHDPEMOHDBWBV-UEXGIBASSA-N 2 0 355.526 3.041 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000567149953 505377919 /nfs/dbraw/zinc/37/79/19/505377919.db2.gz GXRHFNVZKYHRRL-QUCCMNQESA-N 2 0 364.578 3.057 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594441527 507135523 /nfs/dbraw/zinc/13/55/23/507135523.db2.gz SJMUTTFEHKFXGB-FXAWDEMLSA-N 2 0 356.514 3.088 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289680 507448635 /nfs/dbraw/zinc/44/86/35/507448635.db2.gz PUQIDRDQKGZEKZ-WOJBJXKFSA-N 2 0 354.542 3.044 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000598725264 507568925 /nfs/dbraw/zinc/56/89/25/507568925.db2.gz WRJMXZBKKFBLCZ-UWHLTILDSA-N 2 0 355.526 3.177 20 30 FGEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000611255106 507583708 /nfs/dbraw/zinc/58/37/08/507583708.db2.gz GTPYWZBFCRVTJN-UHFFFAOYSA-N 2 0 354.542 3.006 20 30 FGEDRP CCc1nc(CNC(NC2CC[NH+](C3CCCCC3)CC2)=[NH+]C)cs1 ZINC000262792719 713729537 /nfs/dbraw/zinc/72/95/37/713729537.db2.gz OQBRKTPJCMGPHM-UHFFFAOYSA-N 2 0 363.575 3.168 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)C1 ZINC000303872534 713789511 /nfs/dbraw/zinc/78/95/11/713789511.db2.gz CAVSSOKWZROCDT-CALCHBBNSA-N 2 0 360.571 3.028 20 30 FGEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000305240052 713792921 /nfs/dbraw/zinc/79/29/21/713792921.db2.gz QRBJBMKSFIRDAX-OLZOCXBDSA-N 2 0 358.408 3.432 20 30 FGEDRP C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000625705127 715776637 /nfs/dbraw/zinc/77/66/37/715776637.db2.gz SDEUMUGSBWUTKT-QGZVFWFLSA-N 2 0 359.539 3.072 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000799725028 724087899 /nfs/dbraw/zinc/08/78/99/724087899.db2.gz CHPKBAIDSDDRMY-QGZVFWFLSA-N 2 0 365.949 3.495 20 30 FGEDRP N#Cc1ccc([C@@H](O)C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000818987566 727334785 /nfs/dbraw/zinc/33/47/85/727334785.db2.gz ZUBFPCGIVWFREE-FQEVSTJZSA-N 2 0 355.507 3.155 20 30 FGEDRP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552030 762640184 /nfs/dbraw/zinc/64/01/84/762640184.db2.gz DNMVKHMGTKSPNI-ZWKOTPCHSA-N 2 0 367.965 3.174 20 30 FGEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C#N)c3)cc2F)CC1 ZINC000921705451 758774942 /nfs/dbraw/zinc/77/49/42/758774942.db2.gz VIARTEGSMLDURT-UHFFFAOYSA-N 2 0 358.486 3.191 20 30 FGEDRP N#Cc1cccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713768 494055842 /nfs/dbraw/zinc/05/58/42/494055842.db2.gz RUBZHXVTFQZKJJ-UHFFFAOYSA-N 2 0 368.525 3.475 20 30 FGEDRP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000093088705 494824655 /nfs/dbraw/zinc/82/46/55/494824655.db2.gz BLFDYLBZPPCXBZ-UHFFFAOYSA-N 2 0 351.498 3.237 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000113617957 495322186 /nfs/dbraw/zinc/32/21/86/495322186.db2.gz LCKRSTIGNIBDIZ-SFHVURJKSA-N 2 0 372.557 3.456 20 30 FGEDRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185670972 495672671 /nfs/dbraw/zinc/67/26/71/495672671.db2.gz GYHCRPBQBWVAFN-AEFFLSMTSA-N 2 0 354.498 3.129 20 30 FGEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000185785664 495725793 /nfs/dbraw/zinc/72/57/93/495725793.db2.gz XTSXAJFHUFVVQP-FCHUYYIVSA-N 2 0 354.542 3.256 20 30 FGEDRP N#Cc1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cn2ccccc12 ZINC000182951763 495772336 /nfs/dbraw/zinc/77/23/36/495772336.db2.gz CRYSOBDVOWQKAU-UHFFFAOYSA-N 2 0 366.509 3.135 20 30 FGEDRP CCC(CC)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)OC ZINC000180322253 495950185 /nfs/dbraw/zinc/95/01/85/495950185.db2.gz COLRGMCLEFDZQK-UHFFFAOYSA-N 2 0 357.498 3.092 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000172265018 496235273 /nfs/dbraw/zinc/23/52/73/496235273.db2.gz ZPLCEYOXNKTQTE-KRWDZBQOSA-N 2 0 358.530 3.065 20 30 FGEDRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181827205 496561190 /nfs/dbraw/zinc/56/11/90/496561190.db2.gz WXBSHIQBAFQZQJ-IBGZPJMESA-N 2 0 370.541 3.190 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248009121 496942534 /nfs/dbraw/zinc/94/25/34/496942534.db2.gz LCJIDRROAJSZCW-ZJOUEHCJSA-N 2 0 368.525 3.046 20 30 FGEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000278048737 496985143 /nfs/dbraw/zinc/98/51/43/496985143.db2.gz SUZUEHBOAHJBKL-UHFFFAOYSA-N 2 0 356.392 3.186 20 30 FGEDRP CC(C)[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000271084887 497260140 /nfs/dbraw/zinc/26/01/40/497260140.db2.gz SOERGPGBKUUOGQ-KOENEWCDSA-N 2 0 368.569 3.252 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000271097173 497262833 /nfs/dbraw/zinc/26/28/33/497262833.db2.gz ZUZZWNBSYOSHOZ-YGWXTMFKSA-N 2 0 367.537 3.481 20 30 FGEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000267368592 497534643 /nfs/dbraw/zinc/53/46/43/497534643.db2.gz JTZWACBVQDZFGX-UHFFFAOYSA-N 2 0 358.530 3.079 20 30 FGEDRP CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000276951883 497697178 /nfs/dbraw/zinc/69/71/78/497697178.db2.gz VLSADEAEYNBERN-UHFFFAOYSA-N 2 0 354.542 3.234 20 30 FGEDRP C[C@@H](C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000569632798 505980327 /nfs/dbraw/zinc/98/03/27/505980327.db2.gz MOVALISUIDEOPZ-HOTGVXAUSA-N 2 0 362.568 3.374 20 30 FGEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC[NH+]1C ZINC000329154303 499057356 /nfs/dbraw/zinc/05/73/56/499057356.db2.gz BHXSBSCAHGRZSO-FFZOFVMBSA-N 2 0 373.545 3.167 20 30 FGEDRP C[N@H+](CCCSCC#N)[C@H]1CCC[NH+](CCCSCC#N)CC1 ZINC000372887381 499189766 /nfs/dbraw/zinc/18/97/66/499189766.db2.gz ZJFWYPWITYTLIY-KRWDZBQOSA-N 2 0 354.589 3.066 20 30 FGEDRP CN1CCC([NH+]2CCC(CCNc3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000371883464 499375174 /nfs/dbraw/zinc/37/51/74/499375174.db2.gz JJBCANSGJMWSRG-UHFFFAOYSA-N 2 0 371.485 3.075 20 30 FGEDRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000423138531 500347503 /nfs/dbraw/zinc/34/75/03/500347503.db2.gz XUMONXXTQNFPAO-HKUYNNGSSA-N 2 0 357.498 3.333 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433319168 500671774 /nfs/dbraw/zinc/67/17/74/500671774.db2.gz NQJGYYPSRRIRCI-SFHVURJKSA-N 2 0 366.513 3.069 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000448462150 500761818 /nfs/dbraw/zinc/76/18/18/500761818.db2.gz QXCCCJHOYNKWAE-XUVXKRRUSA-N 2 0 364.578 3.057 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)C(C)C ZINC000483676625 502460113 /nfs/dbraw/zinc/46/01/13/502460113.db2.gz BZEJHOHIEBXZJN-VAMGGRTRSA-N 2 0 364.578 3.199 20 30 FGEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507651418 503339545 /nfs/dbraw/zinc/33/95/45/503339545.db2.gz FHPCQZIPKIRNAH-KPQWGBOZSA-N 2 0 354.542 3.006 20 30 FGEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000515893416 503416606 /nfs/dbraw/zinc/41/66/06/503416606.db2.gz BSCFRMGGDSMGOQ-GOSISDBHSA-N 2 0 351.498 3.284 20 30 FGEDRP C=CCc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530447268 503968166 /nfs/dbraw/zinc/96/81/66/503968166.db2.gz YOSJDCDTUSCTBB-UHFFFAOYSA-N 2 0 360.546 3.496 20 30 FGEDRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538502003 504265775 /nfs/dbraw/zinc/26/57/75/504265775.db2.gz QVAMLLIKXGTCRF-SFHVURJKSA-N 2 0 366.484 3.166 20 30 FGEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593321373 506538470 /nfs/dbraw/zinc/53/84/70/506538470.db2.gz IQBWZHYUGPYRRD-WZONZLPQSA-N 2 0 362.521 3.071 20 30 FGEDRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593324130 506541377 /nfs/dbraw/zinc/54/13/77/506541377.db2.gz YFQRYYYNWQOLJI-XMSQKQJNSA-N 2 0 354.542 3.423 20 30 FGEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000594436605 507132587 /nfs/dbraw/zinc/13/25/87/507132587.db2.gz DPNTZMFAINDHSA-HXUWFJFHSA-N 2 0 356.514 3.090 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000594919566 507315764 /nfs/dbraw/zinc/31/57/64/507315764.db2.gz BNAPEXCSIOFFRG-NQIIRXRSSA-N 2 0 355.526 3.468 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000594944308 507324427 /nfs/dbraw/zinc/32/44/27/507324427.db2.gz TXDOTXAMFYKCTI-JOCHJYFZSA-N 2 0 361.489 3.098 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000611392982 507658987 /nfs/dbraw/zinc/65/89/87/507658987.db2.gz AKBHMMGASWHQOW-DHIUTWEWSA-N 2 0 361.489 3.162 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595894622 507732508 /nfs/dbraw/zinc/73/25/08/507732508.db2.gz XRWZIPCNKPBKKC-QZTJIDSGSA-N 2 0 367.415 3.295 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000602535823 507740598 /nfs/dbraw/zinc/74/05/98/507740598.db2.gz UANSKKUXLAIBGU-TZIWHRDSSA-N 2 0 355.526 3.240 20 30 FGEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262049694 713717875 /nfs/dbraw/zinc/71/78/75/713717875.db2.gz VOAMXVHIJMLHNZ-CXAGYDPISA-N 2 0 352.885 3.319 20 30 FGEDRP CC1CC[NH+](CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000303786301 713788365 /nfs/dbraw/zinc/78/83/65/713788365.db2.gz RDZIKNKKPHWTOA-UHFFFAOYSA-N 2 0 358.408 3.434 20 30 FGEDRP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303872219 713789484 /nfs/dbraw/zinc/78/94/84/713789484.db2.gz BWWYNFIFBBYTGJ-OLZOCXBDSA-N 2 0 358.408 3.432 20 30 FGEDRP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000303872220 713789634 /nfs/dbraw/zinc/78/96/34/713789634.db2.gz BWWYNFIFBBYTGJ-QWHCGFSZSA-N 2 0 358.408 3.432 20 30 FGEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000305034409 713792117 /nfs/dbraw/zinc/79/21/17/713792117.db2.gz RYUHCTBQFMLKAP-ZDUSSCGKSA-N 2 0 358.408 3.290 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757197 717599118 /nfs/dbraw/zinc/59/91/18/717599118.db2.gz IJBZDFXFCDANBV-QGZVFWFLSA-N 2 0 361.555 3.069 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000081100528 493833366 /nfs/dbraw/zinc/83/33/66/493833366.db2.gz VUMDUAWQDZQLGU-RHSMWYFYSA-N 2 0 374.554 3.099 20 30 FGEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821554 494764955 /nfs/dbraw/zinc/76/49/55/494764955.db2.gz VNDDOHJYFOQQJR-LJQANCHMSA-N 2 0 372.557 3.433 20 30 FGEDRP COc1ccc(C#N)cc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000155915428 496105973 /nfs/dbraw/zinc/10/59/73/496105973.db2.gz LUUDUORUZZWWNB-QZTJIDSGSA-N 2 0 371.525 3.278 20 30 FGEDRP CCN(CC)c1ccc(/C=[NH+]\CC2([NH+]3CCCC3)CCOCC2)c(O)c1 ZINC000264454557 496904357 /nfs/dbraw/zinc/90/43/57/496904357.db2.gz WKPDUFIYUAKICV-JWGURIENSA-N 2 0 359.514 3.302 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1 ZINC000265205874 497071537 /nfs/dbraw/zinc/07/15/37/497071537.db2.gz SLZCEMANZWLMHB-SIKLNZKXSA-N 2 0 372.557 3.263 20 30 FGEDRP Cc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCC(O)CC2)cc1C ZINC000267458984 497558463 /nfs/dbraw/zinc/55/84/63/497558463.db2.gz UMYJDFVXWWGDEV-UHFFFAOYSA-N 2 0 366.509 3.187 20 30 FGEDRP C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000368069906 499261483 /nfs/dbraw/zinc/26/14/83/499261483.db2.gz NYXRCBVRYCONNB-JBACZVJFSA-N 2 0 355.526 3.006 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccccc3C#N)CC2)CC1 ZINC000371160868 499294781 /nfs/dbraw/zinc/29/47/81/499294781.db2.gz QNCVUYQZQIXCGY-UHFFFAOYSA-N 2 0 354.542 3.186 20 30 FGEDRP CN1CCC([NH+]2CCC(CCNc3ncc(C#N)cc3Cl)CC2)CC1 ZINC000371883803 499375135 /nfs/dbraw/zinc/37/51/35/499375135.db2.gz KSKDKQWHAIYWNP-UHFFFAOYSA-N 2 0 361.921 3.215 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)C2)c(F)c1 ZINC000579342536 506151726 /nfs/dbraw/zinc/15/17/26/506151726.db2.gz VRVBZXFYGWONFJ-CWFSZBLJSA-N 2 0 350.441 3.401 20 30 FGEDRP C=CCOc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414533456 499804096 /nfs/dbraw/zinc/80/40/96/499804096.db2.gz BLFDAHUGABMUOX-UHFFFAOYSA-N 2 0 366.505 3.368 20 30 FGEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055285 500336265 /nfs/dbraw/zinc/33/62/65/500336265.db2.gz DASSQJRUSAQPJV-JPXCIIHESA-N 2 0 364.493 3.191 20 30 FGEDRP C=CCC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000448832939 500846554 /nfs/dbraw/zinc/84/65/54/500846554.db2.gz BLGOKNWLGCVZPL-UHFFFAOYSA-N 2 0 370.541 3.237 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000602656281 506248286 /nfs/dbraw/zinc/24/82/86/506248286.db2.gz XSJWDFFVSXKWHR-GOSISDBHSA-N 2 0 371.525 3.348 20 30 FGEDRP CO[C@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000463280745 502744635 /nfs/dbraw/zinc/74/46/35/502744635.db2.gz JKMJQCMSEDUBBZ-QGZVFWFLSA-N 2 0 355.404 3.080 20 30 FGEDRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539495397 504588603 /nfs/dbraw/zinc/58/86/03/504588603.db2.gz PHIYKSJEGNHPFX-RTBURBONSA-N 2 0 354.542 3.375 20 30 FGEDRP CCN(CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000561396003 505334967 /nfs/dbraw/zinc/33/49/67/505334967.db2.gz RYJSNGWVTRFVLN-UHFFFAOYSA-N 2 0 351.498 3.267 20 30 FGEDRP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000608779661 506706702 /nfs/dbraw/zinc/70/67/02/506706702.db2.gz ODCUJZRSUJEJNP-UHFFFAOYSA-N 2 0 368.525 3.475 20 30 FGEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000594503283 507158768 /nfs/dbraw/zinc/15/87/68/507158768.db2.gz UOWGDONHUTVXOR-UHFFFAOYSA-N 2 0 354.542 3.136 20 30 FGEDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000594954119 507329777 /nfs/dbraw/zinc/32/97/77/507329777.db2.gz BQDKORZBPHUUIR-UHFFFAOYSA-N 2 0 368.912 3.296 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000595065405 507374966 /nfs/dbraw/zinc/37/49/66/507374966.db2.gz AYEIYWDTNSSZRQ-MGPUTAFESA-N 2 0 353.441 3.115 20 30 FGEDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554325 732038218 /nfs/dbraw/zinc/03/82/18/732038218.db2.gz QZWBHDXEVNROBU-KRWDZBQOSA-N 2 0 356.495 3.120 20 30 FGEDRP N#C[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000185785679 495725751 /nfs/dbraw/zinc/72/57/51/495725751.db2.gz XTSXAJFHUFVVQP-VXKWHMMOSA-N 2 0 354.542 3.256 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000171552032 495924334 /nfs/dbraw/zinc/92/43/34/495924334.db2.gz XIVIHEOUSUNZEP-UHFFFAOYSA-N 2 0 370.541 3.122 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000271507017 497366779 /nfs/dbraw/zinc/36/67/79/497366779.db2.gz NERRSYVIJOGGTH-JZEAKTPCSA-N 2 0 367.537 3.358 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC(Nc3c[nH+]ccc3-n3cccn3)CC2)cc1 ZINC000272089304 497533490 /nfs/dbraw/zinc/53/34/90/497533490.db2.gz XLSYRYOUUXJDLD-UHFFFAOYSA-N 2 0 358.449 3.215 20 30 FGEDRP CCC[NH+]1CCC(NC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)CC1 ZINC000329937048 497960699 /nfs/dbraw/zinc/96/06/99/497960699.db2.gz RVHCKMBAAYLEKF-UHFFFAOYSA-N 2 0 373.545 3.029 20 30 FGEDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccncc2)c1C(F)F ZINC000330251448 498078757 /nfs/dbraw/zinc/07/87/57/498078757.db2.gz HQSWWRWKOYJAPF-CABCVRRESA-N 2 0 361.396 3.136 20 30 FGEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000581997328 506109625 /nfs/dbraw/zinc/10/96/25/506109625.db2.gz WRSPOWOPTIEIID-ZCFHBRKKSA-N 2 0 354.498 3.154 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000370654804 499240521 /nfs/dbraw/zinc/24/05/21/499240521.db2.gz XHWKHSKBMZIOPS-DUXKGJEZSA-N 2 0 373.566 3.270 20 30 FGEDRP N#Cc1ccc([C@H](O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000370675342 499243068 /nfs/dbraw/zinc/24/30/68/499243068.db2.gz DSXNFCJCOJNGTJ-DNVJHFABSA-N 2 0 361.489 3.046 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000371497100 499334452 /nfs/dbraw/zinc/33/44/52/499334452.db2.gz IYSIFPMHDDIHNH-UGKGYDQZSA-N 2 0 367.537 3.016 20 30 FGEDRP C[C@@H](NCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)COC1)c1cccc(C#N)c1 ZINC000611798265 506307733 /nfs/dbraw/zinc/30/77/33/506307733.db2.gz HRHPTUJUPGGISC-HDICACEKSA-N 2 0 374.488 3.448 20 30 FGEDRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000512659217 503605373 /nfs/dbraw/zinc/60/53/73/503605373.db2.gz DZUOBRIANGFLKP-KRWDZBQOSA-N 2 0 358.505 3.298 20 30 FGEDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000517204735 503672533 /nfs/dbraw/zinc/67/25/33/503672533.db2.gz CNGCXZKRXFDNOM-UHFFFAOYSA-N 2 0 368.447 3.084 20 30 FGEDRP C=CCc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1O ZINC000530723026 504065187 /nfs/dbraw/zinc/06/51/87/504065187.db2.gz JSUPBZKMWQLFPB-IRXDYDNUSA-N 2 0 362.514 3.108 20 30 FGEDRP COC(=O)c1oc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1C ZINC000597158595 506804511 /nfs/dbraw/zinc/80/45/11/506804511.db2.gz VDMXNPIOXMNUIC-UHFFFAOYSA-N 2 0 367.449 3.001 20 30 FGEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000594440994 507135277 /nfs/dbraw/zinc/13/52/77/507135277.db2.gz KMRAVMFDYVGKDR-MSOLQXFVSA-N 2 0 362.905 3.004 20 30 FGEDRP N#Cc1ccc(CN2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000595000357 507349328 /nfs/dbraw/zinc/34/93/28/507349328.db2.gz GCSMXOPOLFMQJB-UHFFFAOYSA-N 2 0 366.553 3.234 20 30 FGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N(C)Cc1ccc[nH]1 ZINC000262452314 713725993 /nfs/dbraw/zinc/72/59/93/713725993.db2.gz WGDLHHXTIWJYIF-YJBOKZPZSA-N 2 0 359.543 3.167 20 30 FGEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000304747587 713791411 /nfs/dbraw/zinc/79/14/11/713791411.db2.gz GNOCQIGQKHUHAQ-UHFFFAOYSA-N 2 0 358.408 3.434 20 30 FGEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876891659 736158570 /nfs/dbraw/zinc/15/85/70/736158570.db2.gz APMNLGWHZRSHIN-UHOFOFEASA-N 2 0 374.287 3.058 20 30 FGEDRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000923530579 759142422 /nfs/dbraw/zinc/14/24/22/759142422.db2.gz HCFNAJOAPUQLKX-QCLAVDOMSA-N 2 0 366.296 3.217 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965532 494293142 /nfs/dbraw/zinc/29/31/42/494293142.db2.gz PJNSMYLPQZFRTG-UYAOXDASSA-N 2 0 368.525 3.473 20 30 FGEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121846123 494873595 /nfs/dbraw/zinc/87/35/95/494873595.db2.gz GZCQHDMTHLXPCX-GHTZIAJQSA-N 2 0 362.562 3.017 20 30 FGEDRP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)N(C)CCC#N ZINC000112529647 495201165 /nfs/dbraw/zinc/20/11/65/495201165.db2.gz IASDKRWVTKEUID-OTWHNJEPSA-N 2 0 370.541 3.015 20 30 FGEDRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113326807 495296804 /nfs/dbraw/zinc/29/68/04/495296804.db2.gz IMSVBAHUJKXXOU-GOSISDBHSA-N 2 0 351.498 3.285 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000185431142 495574658 /nfs/dbraw/zinc/57/46/58/495574658.db2.gz BVIAYAIYVDXJFP-UHFFFAOYSA-N 2 0 355.526 3.055 20 30 FGEDRP [NH2+]=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccccn1 ZINC000178570237 496502252 /nfs/dbraw/zinc/50/22/52/496502252.db2.gz GKLXCODYDHBPBW-UHFFFAOYSA-N 2 0 357.889 3.374 20 30 FGEDRP C=CCC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccco1 ZINC000278836954 497237916 /nfs/dbraw/zinc/23/79/16/497237916.db2.gz CXWFHLLJNNWHSZ-IBGZPJMESA-N 2 0 355.482 3.368 20 30 FGEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189790436 497245258 /nfs/dbraw/zinc/24/52/58/497245258.db2.gz XHBLVMKBGSVUEE-GOSISDBHSA-N 2 0 370.541 3.179 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000572148024 505901104 /nfs/dbraw/zinc/90/11/04/505901104.db2.gz NJEZAXQAMOMVIR-QGZVKYPTSA-N 2 0 356.489 3.176 20 30 FGEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000245903507 497565370 /nfs/dbraw/zinc/56/53/70/497565370.db2.gz BOOAWOBIXQCEFL-NHCUHLMSSA-N 2 0 355.526 3.218 20 30 FGEDRP COc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000303864998 498722572 /nfs/dbraw/zinc/72/25/72/498722572.db2.gz BLUIXDMPZSLICT-OAHLLOKOSA-N 2 0 358.511 3.396 20 30 FGEDRP C=CCOc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000368291986 499282629 /nfs/dbraw/zinc/28/26/29/499282629.db2.gz BCOGEZRNYXUQFU-UHFFFAOYSA-N 2 0 357.542 3.101 20 30 FGEDRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)cc1 ZINC000373224573 499458502 /nfs/dbraw/zinc/45/85/02/499458502.db2.gz WDEFLFXVIJSAMR-YSFYHYPLSA-N 2 0 371.525 3.347 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000415887759 499924642 /nfs/dbraw/zinc/92/46/42/499924642.db2.gz YESHQWSCBFRZNZ-FQEVSTJZSA-N 2 0 356.514 3.152 20 30 FGEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426436200 500272562 /nfs/dbraw/zinc/27/25/62/500272562.db2.gz HKJYIOLJUVAULT-IBGZPJMESA-N 2 0 368.443 3.490 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000438449819 500787099 /nfs/dbraw/zinc/78/70/99/500787099.db2.gz DENUOIFMTPSBTB-UHFFFAOYSA-N 2 0 371.544 3.305 20 30 FGEDRP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000596059147 506232857 /nfs/dbraw/zinc/23/28/57/506232857.db2.gz NCFJBNXTAANXPG-FQEVSTJZSA-N 2 0 352.526 3.239 20 30 FGEDRP C=CCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000441377009 501130523 /nfs/dbraw/zinc/13/05/23/501130523.db2.gz BPGZRHCDMOPYCK-UHFFFAOYSA-N 2 0 351.922 3.020 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455931206 501419111 /nfs/dbraw/zinc/41/91/11/501419111.db2.gz PHPPXEFALWNBFE-FQEVSTJZSA-N 2 0 356.514 3.398 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000482148105 501990252 /nfs/dbraw/zinc/99/02/52/501990252.db2.gz YMMHRCVPBGTMIL-ICSRJNTNSA-N 2 0 356.514 3.377 20 30 FGEDRP C=CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1OC ZINC000512473193 503563874 /nfs/dbraw/zinc/56/38/74/503563874.db2.gz BTGJXAMKSWTLKX-UHFFFAOYSA-N 2 0 374.525 3.194 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 ZINC000530939623 504136772 /nfs/dbraw/zinc/13/67/72/504136772.db2.gz HGNJSPOLCZMIAX-IAGOWNOFSA-N 2 0 359.489 3.409 20 30 FGEDRP N#Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000521085262 504646925 /nfs/dbraw/zinc/64/69/25/504646925.db2.gz KULUYHYVFVDTDV-UHFFFAOYSA-N 2 0 355.873 3.231 20 30 FGEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000559891944 504945071 /nfs/dbraw/zinc/94/50/71/504945071.db2.gz GYBMBHHMYDUUDO-QHAWAJNXSA-N 2 0 353.510 3.197 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000599657764 506558347 /nfs/dbraw/zinc/55/83/47/506558347.db2.gz LLZLMMUQLMFOFD-UTKZUKDTSA-N 2 0 358.530 3.013 20 30 FGEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600727543 507085748 /nfs/dbraw/zinc/08/57/48/507085748.db2.gz XFRLSOLJRGLCOE-LJQANCHMSA-N 2 0 353.466 3.056 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000592479532 507673118 /nfs/dbraw/zinc/67/31/18/507673118.db2.gz ADJSTTVZBBUDPX-UHFFFAOYSA-N 2 0 370.541 3.122 20 30 FGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)N(C)Cc1ccco1 ZINC000122977220 700698508 /nfs/dbraw/zinc/69/85/08/700698508.db2.gz GNPDAZMVVWASJC-YJBOKZPZSA-N 2 0 360.527 3.431 20 30 FGEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C[NH+]1CCCCC1 ZINC000160684323 705258965 /nfs/dbraw/zinc/25/89/65/705258965.db2.gz QNTSVUKJNSXLGM-CYBMUJFWSA-N 2 0 358.408 3.434 20 30 FGEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262049706 713717742 /nfs/dbraw/zinc/71/77/42/713717742.db2.gz VOAMXVHIJMLHNZ-GUYCJALGSA-N 2 0 352.885 3.319 20 30 FGEDRP C[NH+]=C(NCc1sc(C)nc1C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262349072 713724224 /nfs/dbraw/zinc/72/42/24/713724224.db2.gz DWIAPWPPDIDOOA-UHFFFAOYSA-N 2 0 363.575 3.222 20 30 FGEDRP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303894034 713789847 /nfs/dbraw/zinc/78/98/47/713789847.db2.gz SIEMLABWYIKWJW-SFHVURJKSA-N 2 0 356.539 3.107 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCc2ccc(F)c(C[NH+](C)C)c2)cc1Cl ZINC000304760827 713791813 /nfs/dbraw/zinc/79/18/13/713791813.db2.gz SXFYCGOOJMANTO-UHFFFAOYSA-N 2 0 364.852 3.476 20 30 FGEDRP C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662668418 720451446 /nfs/dbraw/zinc/45/14/46/720451446.db2.gz FKLVMINBTSGOGH-FQEVSTJZSA-N 2 0 361.917 3.119 20 30 FGEDRP CS[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@@H](SC)C3)c2)C1 ZINC000878665770 736905639 /nfs/dbraw/zinc/90/56/39/736905639.db2.gz LPLHCADQTSVQKA-RTBURBONSA-N 2 0 361.580 3.433 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000050032944 493893525 /nfs/dbraw/zinc/89/35/25/493893525.db2.gz LYBDDRMFFQBLMU-IBGZPJMESA-N 2 0 367.537 3.022 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000052209362 494011210 /nfs/dbraw/zinc/01/12/10/494011210.db2.gz IDMIJOZIRYQNQN-UHFFFAOYSA-N 2 0 362.562 3.115 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127836279 495005222 /nfs/dbraw/zinc/00/52/22/495005222.db2.gz VOBRHDFCCNDRER-SJORKVTESA-N 2 0 351.922 3.104 20 30 FGEDRP N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)n2c1 ZINC000123199860 495095714 /nfs/dbraw/zinc/09/57/14/495095714.db2.gz SOPZXBRDHKIMBT-UHFFFAOYSA-N 2 0 359.477 3.482 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271911813 497485803 /nfs/dbraw/zinc/48/58/03/497485803.db2.gz FCHNMZFTMIRRDG-QGZVFWFLSA-N 2 0 366.484 3.296 20 30 FGEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000272637022 497687211 /nfs/dbraw/zinc/68/72/11/497687211.db2.gz YRUAHSCRVQAAKL-UHFFFAOYSA-N 2 0 351.498 3.285 20 30 FGEDRP C=CCOc1cccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000288706053 497874182 /nfs/dbraw/zinc/87/41/82/497874182.db2.gz YYZRKFDBAXHSHN-UHFFFAOYSA-N 2 0 355.482 3.267 20 30 FGEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000581997325 506109420 /nfs/dbraw/zinc/10/94/20/506109420.db2.gz WRSPOWOPTIEIID-GNWGEKMJSA-N 2 0 354.498 3.154 20 30 FGEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(c3ccccn3)CC2)cc1 ZINC000367422706 499197247 /nfs/dbraw/zinc/19/72/47/499197247.db2.gz MHIWWVHFJMMYMW-KRWDZBQOSA-N 2 0 350.466 3.473 20 30 FGEDRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000369114892 499367114 /nfs/dbraw/zinc/36/71/14/499367114.db2.gz FPTQLLCQJKWMEH-UHFFFAOYSA-N 2 0 352.526 3.063 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336425 499422246 /nfs/dbraw/zinc/42/22/46/499422246.db2.gz GNODZAFBXYHPJO-LMNJBCLMSA-N 2 0 355.526 3.467 20 30 FGEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411556599 499762761 /nfs/dbraw/zinc/76/27/61/499762761.db2.gz YEULIXPUTBFTSJ-RTBURBONSA-N 2 0 356.514 3.377 20 30 FGEDRP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421354553 500024507 /nfs/dbraw/zinc/02/45/07/500024507.db2.gz RYYSYQNMXYQNOG-UHFFFAOYSA-N 2 0 354.523 3.442 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000417546365 500103437 /nfs/dbraw/zinc/10/34/37/500103437.db2.gz ZDORPLKVAISBRA-FQEVSTJZSA-N 2 0 358.530 3.150 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC(NCC[NH2+]C3CCCCCC3)CC2)cc1 ZINC000423285819 500361649 /nfs/dbraw/zinc/36/16/49/500361649.db2.gz YULHYYRJJIDESD-UHFFFAOYSA-N 2 0 354.542 3.425 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431966649 500449788 /nfs/dbraw/zinc/44/97/88/500449788.db2.gz WBAYWPLTMXMMFG-UYAOXDASSA-N 2 0 364.578 3.227 20 30 FGEDRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229929 500820617 /nfs/dbraw/zinc/82/06/17/500820617.db2.gz XVLXKYCXKLHKQP-CVEARBPZSA-N 2 0 360.527 3.045 20 30 FGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000451679465 501349489 /nfs/dbraw/zinc/34/94/89/501349489.db2.gz HEOPLXNURCSEHK-CZYKHXBRSA-N 2 0 356.510 3.333 20 30 FGEDRP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000515165835 503282962 /nfs/dbraw/zinc/28/29/62/503282962.db2.gz KKSATTXFTKQSBE-NRFANRHFSA-N 2 0 358.526 3.151 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000503222208 503370600 /nfs/dbraw/zinc/37/06/00/503370600.db2.gz LAYATRKSIKAISN-DLBZAZTESA-N 2 0 362.543 3.439 20 30 FGEDRP C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC#CC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469106 503562153 /nfs/dbraw/zinc/56/21/53/503562153.db2.gz OANMBDTYZPNDLQ-MYGLTJDJSA-N 2 0 364.574 3.021 20 30 FGEDRP C[C@H](O)C[C@@H]1CCCCC[NH+]1CC#CC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469100 503562447 /nfs/dbraw/zinc/56/24/47/503562447.db2.gz OANMBDTYZPNDLQ-CMOCDZPBSA-N 2 0 364.574 3.021 20 30 FGEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000527531054 503828338 /nfs/dbraw/zinc/82/83/38/503828338.db2.gz IHQAIPIYAQWORU-UHFFFAOYSA-N 2 0 373.460 3.491 20 30 FGEDRP C[N@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000537296562 503872719 /nfs/dbraw/zinc/87/27/19/503872719.db2.gz XLZALTLZCPUIOG-UHFFFAOYSA-N 2 0 354.542 3.377 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000532587974 504703131 /nfs/dbraw/zinc/70/31/31/504703131.db2.gz HWTTYJAOWCBCQP-UHFFFAOYSA-N 2 0 366.484 3.125 20 30 FGEDRP N#CCCC1CC[NH+](CC2(C[NH+]3CCC(CCC#N)CC3)COC2)CC1 ZINC000566174011 505104405 /nfs/dbraw/zinc/10/44/05/505104405.db2.gz OWZCZWQBCMRSCW-UHFFFAOYSA-N 2 0 358.530 3.035 20 30 FGEDRP COCC[C@@H]1CCCC[NH+](CC#CC[N@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000551395932 505217053 /nfs/dbraw/zinc/21/70/53/505217053.db2.gz WTKMKHIGXHYACE-VXKWHMMOSA-N 2 0 364.574 3.267 20 30 FGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000582908160 506482828 /nfs/dbraw/zinc/48/28/28/506482828.db2.gz NXCZTDXPXAYYLV-DEOSSOPVSA-N 2 0 374.532 3.343 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716391 507079197 /nfs/dbraw/zinc/07/91/97/507079197.db2.gz KYYCKARGMQSFPH-UEXGIBASSA-N 2 0 355.526 3.309 20 30 FGEDRP CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594440445 507132431 /nfs/dbraw/zinc/13/24/31/507132431.db2.gz CKFDBQXIBXNWHT-NHCUHLMSSA-N 2 0 370.541 3.301 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073195 507379428 /nfs/dbraw/zinc/37/94/28/507379428.db2.gz SYGVWVVBMGFWIZ-HNAYVOBHSA-N 2 0 353.441 3.115 20 30 FGEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000592183607 507527545 /nfs/dbraw/zinc/52/75/45/507527545.db2.gz KQSZCUKLGMTSLM-HXUWFJFHSA-N 2 0 368.525 3.055 20 30 FGEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611391165 507659646 /nfs/dbraw/zinc/65/96/46/507659646.db2.gz XVXJKKUFDFGXSM-XMMPIXPASA-N 2 0 374.532 3.473 20 30 FGEDRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000611395255 507661077 /nfs/dbraw/zinc/66/10/77/507661077.db2.gz YZERGYDJGJBVAD-FQEVSTJZSA-N 2 0 350.466 3.061 20 30 FGEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1 ZINC000595896729 507731448 /nfs/dbraw/zinc/73/14/48/507731448.db2.gz WKLZREBTHCDWFC-BQFCYCMXSA-N 2 0 367.415 3.295 20 30 FGEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160754730 705260630 /nfs/dbraw/zinc/26/06/30/705260630.db2.gz OYNZNXJOUYNFTA-CYBMUJFWSA-N 2 0 358.408 3.290 20 30 FGEDRP CC(C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCCC1 ZINC000305265931 713792827 /nfs/dbraw/zinc/79/28/27/713792827.db2.gz YWDYLPMSILOHMF-AWEZNQCLSA-N 2 0 358.408 3.432 20 30 FGEDRP N#Cc1cc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000922334193 758895364 /nfs/dbraw/zinc/89/53/64/758895364.db2.gz FXFGIHSDHNKXPS-UHFFFAOYSA-N 2 0 355.507 3.127 20 30 FGEDRP FC1(F)[C@H]2C[NH+](CC3CC[NH2+]CC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923272235 759094242 /nfs/dbraw/zinc/09/42/42/759094242.db2.gz FCARUGPLIYMVBD-UWVGGRQHSA-N 2 0 366.296 3.089 20 30 FGEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000079307440 494434505 /nfs/dbraw/zinc/43/45/05/494434505.db2.gz JHLITYJAZSCOFR-SFHVURJKSA-N 2 0 370.541 3.349 20 30 FGEDRP N#CCCCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000136570515 495387665 /nfs/dbraw/zinc/38/76/65/495387665.db2.gz WOPAGOFXFUFQTC-FCHUYYIVSA-N 2 0 371.525 3.227 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136866011 495407054 /nfs/dbraw/zinc/40/70/54/495407054.db2.gz JUDPERCFPCLDDG-IEBWSBKVSA-N 2 0 366.509 3.470 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176949028 495853119 /nfs/dbraw/zinc/85/31/19/495853119.db2.gz FUSCVIUSUFEVGO-UHFFFAOYSA-N 2 0 354.523 3.047 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(OCC#N)cc1 ZINC000171768815 496029277 /nfs/dbraw/zinc/02/92/77/496029277.db2.gz PMRHHOQROJPAQU-QGZVFWFLSA-N 2 0 353.466 3.380 20 30 FGEDRP C[C@@H]1C[NH+](CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000156031013 496138489 /nfs/dbraw/zinc/13/84/89/496138489.db2.gz QIBYCYUSBQLPEH-RTBURBONSA-N 2 0 371.525 3.148 20 30 FGEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000186903896 496203312 /nfs/dbraw/zinc/20/33/12/496203312.db2.gz KTQBASFOCHVKEF-QGZVFWFLSA-N 2 0 370.541 3.035 20 30 FGEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182266019 496723496 /nfs/dbraw/zinc/72/34/96/496723496.db2.gz VJRUIBBASIAYOS-GCJKJVERSA-N 2 0 364.489 3.116 20 30 FGEDRP C[N@H+](CCN1CC[NH+](CCCCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000277682607 496851020 /nfs/dbraw/zinc/85/10/20/496851020.db2.gz KQDVBBYYGFAUIR-UHFFFAOYSA-N 2 0 356.558 3.456 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248009125 496942665 /nfs/dbraw/zinc/94/26/65/496942665.db2.gz LCJIDRROAJSZCW-ZVDOUQERSA-N 2 0 368.525 3.046 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C[C@@H](C)O1 ZINC000192061258 496980573 /nfs/dbraw/zinc/98/05/73/496980573.db2.gz LAKPKXIHIOXJPX-IAGOWNOFSA-N 2 0 359.489 3.409 20 30 FGEDRP CCc1cccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000267406204 497544558 /nfs/dbraw/zinc/54/45/58/497544558.db2.gz HEEUEGFHINTOOU-UHFFFAOYSA-N 2 0 366.509 3.133 20 30 FGEDRP C=CCc1cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc(OC)c1O ZINC000569533733 505956957 /nfs/dbraw/zinc/95/69/57/505956957.db2.gz QVKCCMQGMJTCFO-UHFFFAOYSA-N 2 0 350.528 3.046 20 30 FGEDRP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+]1CCCCCC1 ZINC000329201028 499070494 /nfs/dbraw/zinc/07/04/94/499070494.db2.gz VNWUTWIYGMSAHU-JENIJYKNSA-N 2 0 361.534 3.024 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582122883 506139226 /nfs/dbraw/zinc/13/92/26/506139226.db2.gz KCUHQSPQSGOOTH-QGZVFWFLSA-N 2 0 366.513 3.077 20 30 FGEDRP CC[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080954 499660165 /nfs/dbraw/zinc/66/01/65/499660165.db2.gz GVUIVGIRPQASAR-JBACZVJFSA-N 2 0 351.498 3.416 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000576436587 506157931 /nfs/dbraw/zinc/15/79/31/506157931.db2.gz WXRPAZXGJHHCIO-DEOSSOPVSA-N 2 0 374.532 3.473 20 30 FGEDRP C=C(C)[C@H]([NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423049698 500335784 /nfs/dbraw/zinc/33/57/84/500335784.db2.gz KGIOCFRIFWQYHQ-KDOFPFPSSA-N 2 0 366.452 3.493 20 30 FGEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000423138533 500347790 /nfs/dbraw/zinc/34/77/90/500347790.db2.gz XUMONXXTQNFPAO-MJGOQNOKSA-N 2 0 357.498 3.333 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C#N)cc1OC ZINC000482141651 501987738 /nfs/dbraw/zinc/98/77/38/501987738.db2.gz KJJIBUQPPQYJQZ-RBUKOAKNSA-N 2 0 359.514 3.436 20 30 FGEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000482148107 501990509 /nfs/dbraw/zinc/99/05/09/501990509.db2.gz YMMHRCVPBGTMIL-QUCCMNQESA-N 2 0 356.514 3.377 20 30 FGEDRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000534471081 504150550 /nfs/dbraw/zinc/15/05/50/504150550.db2.gz SYLOETABLKRVAA-LJQANCHMSA-N 2 0 373.460 3.320 20 30 FGEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000559891942 504945022 /nfs/dbraw/zinc/94/50/22/504945022.db2.gz GYBMBHHMYDUUDO-NJDAHSKKSA-N 2 0 353.510 3.197 20 30 FGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000593323031 506540046 /nfs/dbraw/zinc/54/00/46/506540046.db2.gz ONDGLCRJQPBIQS-DNVJHFABSA-N 2 0 366.553 3.423 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716348 507078759 /nfs/dbraw/zinc/07/87/59/507078759.db2.gz KPKDVSVCBLCXTK-DBXWQHBBSA-N 2 0 355.526 3.309 20 30 FGEDRP CCC1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000600724568 507083860 /nfs/dbraw/zinc/08/38/60/507083860.db2.gz BHHOVGLVKKBDBN-FQEVSTJZSA-N 2 0 355.526 3.323 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594441533 507135817 /nfs/dbraw/zinc/13/58/17/507135817.db2.gz SJMUTTFEHKFXGB-YLJYHZDGSA-N 2 0 356.514 3.088 20 30 FGEDRP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594446838 507137274 /nfs/dbraw/zinc/13/72/74/507137274.db2.gz XSTMSLHMEVTCHO-IAGOWNOFSA-N 2 0 362.543 3.049 20 30 FGEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598718441 507566972 /nfs/dbraw/zinc/56/69/72/507566972.db2.gz FFMJHWSUHKOYTM-LJQANCHMSA-N 2 0 355.482 3.302 20 30 FGEDRP C[C@@H]([NH2+]CCOCC[NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611388479 507657930 /nfs/dbraw/zinc/65/79/30/507657930.db2.gz INUXKJHFNJIXEU-QZTJIDSGSA-N 2 0 362.477 3.448 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000611394618 507660263 /nfs/dbraw/zinc/66/02/63/507660263.db2.gz TUDZIGMPQFREKE-BHDDXSALSA-N 2 0 353.510 3.293 20 30 FGEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086506087 700371885 /nfs/dbraw/zinc/37/18/85/700371885.db2.gz MQLKDNSYSCNQRI-HNNXBMFYSA-N 2 0 363.575 3.076 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000151001200 704908499 /nfs/dbraw/zinc/90/84/99/704908499.db2.gz MNMFZBXJTIIORA-KRWDZBQOSA-N 2 0 365.949 3.495 20 30 FGEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000262683200 713728444 /nfs/dbraw/zinc/72/84/44/713728444.db2.gz XFTUBQOFJUJPEB-IVMMDQJWSA-N 2 0 354.420 3.026 20 30 FGEDRP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000623356354 715317848 /nfs/dbraw/zinc/31/78/48/715317848.db2.gz KWLANJPWVMSVHX-AWEZNQCLSA-N 2 0 350.890 3.487 20 30 FGEDRP C=CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)(C)C ZINC000661760506 720315414 /nfs/dbraw/zinc/31/54/14/720315414.db2.gz WNBPLGSKALMMTI-UHFFFAOYSA-N 2 0 361.555 3.460 20 30 FGEDRP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)[C@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000878304400 736802848 /nfs/dbraw/zinc/80/28/48/736802848.db2.gz MYUIHIXLYXTJMM-KDURUIRLSA-N 2 0 361.580 3.433 20 30 FGEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193975 739228182 /nfs/dbraw/zinc/22/81/82/739228182.db2.gz GLBCJKHUXYMTIY-ZWKOTPCHSA-N 2 0 361.555 3.255 20 30 FGEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]1(C)CCCCO1 ZINC000902808503 743777400 /nfs/dbraw/zinc/77/74/00/743777400.db2.gz JTRLRWQCTIRMML-JBACZVJFSA-N 2 0 350.547 3.371 20 30 FGEDRP C=C(Cl)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047243560 766632056 /nfs/dbraw/zinc/63/20/56/766632056.db2.gz ZGZKARPPLMCSOM-BHIYHBOVSA-N 2 0 367.965 3.030 20 30 FGEDRP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[C@H]1CCCC[NH+]1C ZINC000072725067 494241533 /nfs/dbraw/zinc/24/15/33/494241533.db2.gz LDNUFEXUHJVFPY-QGZVFWFLSA-N 2 0 362.905 3.346 20 30 FGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000092821049 494763607 /nfs/dbraw/zinc/76/36/07/494763607.db2.gz JABCRWGDIWHWEY-QFIPXVFZSA-N 2 0 364.493 3.225 20 30 FGEDRP C[NH+](C)CCOC1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000568692267 505753862 /nfs/dbraw/zinc/75/38/62/505753862.db2.gz ZLFPLRFKEUCVOG-UHFFFAOYSA-N 2 0 355.404 3.120 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)C(C)C ZINC000580418576 505755373 /nfs/dbraw/zinc/75/53/73/505755373.db2.gz OWCLQCQYTBKTEN-HXUWFJFHSA-N 2 0 356.514 3.152 20 30 FGEDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000175013448 496207284 /nfs/dbraw/zinc/20/72/84/496207284.db2.gz FMVOPHHMJAFZHS-UXHICEINSA-N 2 0 351.498 3.426 20 30 FGEDRP CCC(CC)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000181462474 496406847 /nfs/dbraw/zinc/40/68/47/496406847.db2.gz FCVCJKJOTYKMBT-JOCHJYFZSA-N 2 0 356.558 3.479 20 30 FGEDRP CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247007337 496749494 /nfs/dbraw/zinc/74/94/94/496749494.db2.gz IVTYNHVWSDWYNQ-KAGYGMCKSA-N 2 0 370.541 3.026 20 30 FGEDRP C[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000329772382 497896577 /nfs/dbraw/zinc/89/65/77/497896577.db2.gz KOLPVEMQAHHJTG-APWZRJJASA-N 2 0 367.497 3.166 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287584267 498804386 /nfs/dbraw/zinc/80/43/86/498804386.db2.gz ZEKRMZYRBHCFDH-FXAWDEMLSA-N 2 0 358.530 3.018 20 30 FGEDRP Cn1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000369198393 499376303 /nfs/dbraw/zinc/37/63/03/499376303.db2.gz ODKUFTMEHXFNKS-UHFFFAOYSA-N 2 0 363.509 3.267 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000415062421 499860076 /nfs/dbraw/zinc/86/00/76/499860076.db2.gz MIRRYOMFOXRQBG-LBPRGKRZSA-N 2 0 357.292 3.240 20 30 FGEDRP C=CCSc1ccccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298269 500483106 /nfs/dbraw/zinc/48/31/06/500483106.db2.gz UGMLSTJKZKDWKB-INIZCTEOSA-N 2 0 359.539 3.367 20 30 FGEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000435731221 501019506 /nfs/dbraw/zinc/01/95/06/501019506.db2.gz KIEUXTYRXPKONH-OXJNMPFZSA-N 2 0 363.933 3.163 20 30 FGEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000451988060 501414170 /nfs/dbraw/zinc/41/41/70/501414170.db2.gz PBCPWNLERWPPSX-UHFFFAOYSA-N 2 0 367.459 3.063 20 30 FGEDRP CC(C)[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000481919526 501918767 /nfs/dbraw/zinc/91/87/67/501918767.db2.gz STZMTTPXABCKMX-YADHBBJMSA-N 2 0 354.542 3.187 20 30 FGEDRP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536703508 503687809 /nfs/dbraw/zinc/68/78/09/503687809.db2.gz QEWIDSMMTWUXAG-IBGZPJMESA-N 2 0 370.541 3.209 20 30 FGEDRP N#CC1(C[C@@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000528513790 504254948 /nfs/dbraw/zinc/25/49/48/504254948.db2.gz VUIQBKNOKLDTIV-HXUWFJFHSA-N 2 0 353.510 3.029 20 30 FGEDRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000556108992 504798561 /nfs/dbraw/zinc/79/85/61/504798561.db2.gz DCLBIYQXBNNSDK-QFIPXVFZSA-N 2 0 354.542 3.329 20 30 FGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000593323766 506541631 /nfs/dbraw/zinc/54/16/31/506541631.db2.gz WRMKNVFREYYWFT-BHDDXSALSA-N 2 0 352.526 3.033 20 30 FGEDRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596994807 506721064 /nfs/dbraw/zinc/72/10/64/506721064.db2.gz DTOPDRPRKBYJDW-BGYRXZFFSA-N 2 0 366.553 3.232 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000594498975 507155877 /nfs/dbraw/zinc/15/58/77/507155877.db2.gz WLUXJQDWJMKEDP-NHCUHLMSSA-N 2 0 355.526 3.345 20 30 FGEDRP N#Cc1ccc(CN2CCC([NH2+]CC[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000602020381 507557081 /nfs/dbraw/zinc/55/70/81/507557081.db2.gz KUBOZYMDQXOSKS-JOCHJYFZSA-N 2 0 362.521 3.072 20 30 FGEDRP C[N@@H+]1C[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000592376437 507626936 /nfs/dbraw/zinc/62/69/36/507626936.db2.gz MTJLEGFECULYLJ-QPPBQGQZSA-N 2 0 374.532 3.462 20 30 FGEDRP CC(C)[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000303789746 713788493 /nfs/dbraw/zinc/78/84/93/713788493.db2.gz VRMZTVBFRKYXFF-HNNXBMFYSA-N 2 0 358.408 3.432 20 30 FGEDRP FC1(F)[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529278 759141970 /nfs/dbraw/zinc/14/19/70/759141970.db2.gz BRRXLSYTQOUHOC-BBBLOLIVSA-N 2 0 366.296 3.089 20 30 FGEDRP C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000077202594 494032433 /nfs/dbraw/zinc/03/24/33/494032433.db2.gz UJIGKZPXDQIHOX-IBGZPJMESA-N 2 0 374.529 3.131 20 30 FGEDRP C=CC1CC[NH+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000111256464 495055223 /nfs/dbraw/zinc/05/52/23/495055223.db2.gz WDPOEBOXVPRXLI-SFHVURJKSA-N 2 0 355.526 3.054 20 30 FGEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113330768 495297917 /nfs/dbraw/zinc/29/79/17/495297917.db2.gz BKMXXRRPBDQADH-SFHVURJKSA-N 2 0 351.498 3.285 20 30 FGEDRP C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719235 495696501 /nfs/dbraw/zinc/69/65/01/495696501.db2.gz FEUYMSYMMSCAMW-GOEBONIOSA-N 2 0 360.527 3.191 20 30 FGEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000174581671 496019996 /nfs/dbraw/zinc/01/99/96/496019996.db2.gz PMDCJNTWNMRSLL-IBGZPJMESA-N 2 0 370.541 3.017 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177686184 496158976 /nfs/dbraw/zinc/15/89/76/496158976.db2.gz FXSQQXBBIGJRNR-UHFFFAOYSA-N 2 0 354.523 3.047 20 30 FGEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544550 496335765 /nfs/dbraw/zinc/33/57/65/496335765.db2.gz IIHUVJHXXHQOBU-HXUWFJFHSA-N 2 0 368.525 3.475 20 30 FGEDRP COc1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccc1C#N ZINC000569112572 505855409 /nfs/dbraw/zinc/85/54/09/505855409.db2.gz ICTNPBZHPYJWQZ-MRXNPFEDSA-N 2 0 353.466 3.358 20 30 FGEDRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000182028813 496641098 /nfs/dbraw/zinc/64/10/98/496641098.db2.gz GPSRSQCJEWNLDV-HBGVWJBISA-N 2 0 357.498 3.007 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000572148021 505901030 /nfs/dbraw/zinc/90/10/30/505901030.db2.gz NJEZAXQAMOMVIR-KVPLUYHFSA-N 2 0 356.489 3.176 20 30 FGEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000280615328 497826565 /nfs/dbraw/zinc/82/65/65/497826565.db2.gz KMGOJSWJAHJTRO-UGKGYDQZSA-N 2 0 357.542 3.288 20 30 FGEDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2)C1CC1 ZINC000362105078 498466388 /nfs/dbraw/zinc/46/63/88/498466388.db2.gz FTJBFTXGGLTARZ-INIZCTEOSA-N 2 0 372.538 3.145 20 30 FGEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290272425 498489371 /nfs/dbraw/zinc/48/93/71/498489371.db2.gz LNLWRFNNDFSGAU-GOSISDBHSA-N 2 0 367.493 3.275 20 30 FGEDRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)C2(N3CCOCC3)CCC2)cc1 ZINC000329093129 499039728 /nfs/dbraw/zinc/03/97/28/499039728.db2.gz KDTFPLRGBMABOJ-MRXNPFEDSA-N 2 0 368.481 3.453 20 30 FGEDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2)C1CC1 ZINC000371320899 499309982 /nfs/dbraw/zinc/30/99/82/499309982.db2.gz KLWGSCLXYOONCJ-SFHVURJKSA-N 2 0 366.509 3.083 20 30 FGEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422980670 500326335 /nfs/dbraw/zinc/32/63/35/500326335.db2.gz QKXDVAXLDFJRFG-CRAIPNDOSA-N 2 0 367.472 3.179 20 30 FGEDRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc(F)c1C#N ZINC000428212625 500482095 /nfs/dbraw/zinc/48/20/95/500482095.db2.gz ZAPHWAHOBYFUNI-UHFFFAOYSA-N 2 0 372.532 3.325 20 30 FGEDRP CC[NH+]1CCC(Nc2cc(C)nc(NC3CC[NH+](CC)CC3)c2C#N)CC1 ZINC000596061121 506235197 /nfs/dbraw/zinc/23/51/97/506235197.db2.gz CMZNQLCUEDZFEB-UHFFFAOYSA-N 2 0 370.545 3.054 20 30 FGEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000480966006 502715442 /nfs/dbraw/zinc/71/54/42/502715442.db2.gz CGTCMCXMSCLMGX-IBGZPJMESA-N 2 0 370.541 3.212 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000532589598 504704114 /nfs/dbraw/zinc/70/41/14/504704114.db2.gz YTXSKISQHKEKOZ-YOEHRIQHSA-N 2 0 362.905 3.345 20 30 FGEDRP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC000556952975 505028910 /nfs/dbraw/zinc/02/89/10/505028910.db2.gz HVFCMTVSZSHDEH-AZUAARDMSA-N 2 0 353.441 3.189 20 30 FGEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000557394196 505124065 /nfs/dbraw/zinc/12/40/65/505124065.db2.gz LRGQYFAZUMYGQL-FQEVSTJZSA-N 2 0 354.542 3.485 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000558788591 505492443 /nfs/dbraw/zinc/49/24/43/505492443.db2.gz VRGQDMUTWOPYJZ-FKBYEOEOSA-N 2 0 353.510 3.293 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716387 507078802 /nfs/dbraw/zinc/07/88/02/507078802.db2.gz KYYCKARGMQSFPH-LVCYWYKZSA-N 2 0 355.526 3.309 20 30 FGEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000594445346 507137449 /nfs/dbraw/zinc/13/74/49/507137449.db2.gz DGLKHZMJFLUHKD-ZWKOTPCHSA-N 2 0 362.905 3.004 20 30 FGEDRP N#Cc1ccc(N2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000595001599 507348678 /nfs/dbraw/zinc/34/86/78/507348678.db2.gz YERDRNXFTGHJMC-UHFFFAOYSA-N 2 0 352.526 3.239 20 30 FGEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccnc(C#N)c2)CC1 ZINC000611385440 507655162 /nfs/dbraw/zinc/65/51/62/507655162.db2.gz JQJKKLYWJVVFLD-MRXNPFEDSA-N 2 0 367.472 3.085 20 30 FGEDRP C[NH+]=C(NCc1ccc(Br)s1)NC1CC[NH+](C(C)C)CC1 ZINC000262188493 713720896 /nfs/dbraw/zinc/72/08/96/713720896.db2.gz GIXIJEHFAZHMGW-UHFFFAOYSA-N 2 0 373.364 3.048 20 30 FGEDRP C[NH+]=C(NCc1nc(C)c(C)s1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262347359 713724170 /nfs/dbraw/zinc/72/41/70/713724170.db2.gz DNMXZAMYOCGILR-UHFFFAOYSA-N 2 0 363.575 3.222 20 30 FGEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000303785105 713788373 /nfs/dbraw/zinc/78/83/73/713788373.db2.gz PZCMNNDXBNZGJJ-OAHLLOKOSA-N 2 0 350.507 3.187 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000303869348 713789123 /nfs/dbraw/zinc/78/91/23/713789123.db2.gz ATXXAKIHTXTTRE-ZIAGYGMSSA-N 2 0 352.910 3.443 20 30 FGEDRP N#Cc1ccc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000717907987 722417867 /nfs/dbraw/zinc/41/78/67/722417867.db2.gz UABPIOMYDLBFCH-UHFFFAOYSA-N 2 0 355.507 3.127 20 30 FGEDRP CC(C)[N@@H+]1CC[C@@H](C[NH+]=C(NCCc2cccs2)NC(C)(C)C)C1 ZINC000912506430 757342148 /nfs/dbraw/zinc/34/21/48/757342148.db2.gz MXTYFFIPQSTIGQ-INIZCTEOSA-N 2 0 350.576 3.355 20 30 FGEDRP CSC1(C[NH2+]Cc2cc(C#N)ccc2Br)CC[NH+](C)CC1 ZINC000922139613 758858401 /nfs/dbraw/zinc/85/84/01/758858401.db2.gz OWLWETLSFXZKNO-UHFFFAOYSA-N 2 0 368.344 3.238 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000050032941 493893420 /nfs/dbraw/zinc/89/34/20/493893420.db2.gz LYBDDRMFFQBLMU-LJQANCHMSA-N 2 0 367.537 3.022 20 30 FGEDRP C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121987466 494904140 /nfs/dbraw/zinc/90/41/40/494904140.db2.gz ZVZXZPNSJNMHHN-SFHVURJKSA-N 2 0 368.525 3.473 20 30 FGEDRP N#Cc1ccc2ncc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2c1 ZINC000093769306 494919311 /nfs/dbraw/zinc/91/93/11/494919311.db2.gz GUCLIHNFWWHDJA-UHFFFAOYSA-N 2 0 351.498 3.294 20 30 FGEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[C@@H]1CCC[N@H+]1C ZINC000125322653 495426225 /nfs/dbraw/zinc/42/62/25/495426225.db2.gz BPNNSEPCFWJMCM-KRWDZBQOSA-N 2 0 363.575 3.069 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000106259915 495439706 /nfs/dbraw/zinc/43/97/06/495439706.db2.gz QAGHWPCEMZFACY-FQEVSTJZSA-N 2 0 364.578 3.083 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000106335967 495445888 /nfs/dbraw/zinc/44/58/88/495445888.db2.gz WQVBHMJRFDYVOR-SFHVURJKSA-N 2 0 362.518 3.002 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000114960509 495447235 /nfs/dbraw/zinc/44/72/35/495447235.db2.gz SQFGFKKNWYQHAU-UHFFFAOYSA-N 2 0 372.557 3.109 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150836291 495650922 /nfs/dbraw/zinc/65/09/22/495650922.db2.gz RGARMMSWJVYWON-VQTJNVASSA-N 2 0 368.525 3.048 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000159249439 495693602 /nfs/dbraw/zinc/69/36/02/495693602.db2.gz JLTZGFMWIRFGQM-UHFFFAOYSA-N 2 0 364.578 3.180 20 30 FGEDRP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182995192 495791496 /nfs/dbraw/zinc/79/14/96/495791496.db2.gz QMKIQCUIHCDAOH-OAQYLSRUSA-N 2 0 368.525 3.107 20 30 FGEDRP CC[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180252068 495924785 /nfs/dbraw/zinc/92/47/85/495924785.db2.gz QTJNMEQZUSPMPT-UHFFFAOYSA-N 2 0 351.498 3.170 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177508209 496090796 /nfs/dbraw/zinc/09/07/96/496090796.db2.gz RABKUBGDIQYTKP-KDURUIRLSA-N 2 0 371.525 3.148 20 30 FGEDRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181416278 496385902 /nfs/dbraw/zinc/38/59/02/496385902.db2.gz XMXYEWLUQHQQPD-UHFFFAOYSA-N 2 0 362.521 3.374 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248611976 497056212 /nfs/dbraw/zinc/05/62/12/497056212.db2.gz XTWLDCOXAHCGTN-KAGYGMCKSA-N 2 0 372.553 3.397 20 30 FGEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccco1 ZINC000278836956 497237762 /nfs/dbraw/zinc/23/77/62/497237762.db2.gz CXWFHLLJNNWHSZ-LJQANCHMSA-N 2 0 355.482 3.368 20 30 FGEDRP C[NH+](C)C1CCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271066793 497257173 /nfs/dbraw/zinc/25/71/73/497257173.db2.gz JKAIKFOPCKKRFD-UHFFFAOYSA-N 2 0 354.542 3.006 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414300 497394473 /nfs/dbraw/zinc/39/44/73/497394473.db2.gz CESJQWQWRMTMAZ-KSSFIOAISA-N 2 0 362.905 3.202 20 30 FGEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190959133 497661071 /nfs/dbraw/zinc/66/10/71/497661071.db2.gz JCSZYKDBYKBPMN-INIZCTEOSA-N 2 0 369.488 3.029 20 30 FGEDRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC[NH+]1C ZINC000329154305 499057107 /nfs/dbraw/zinc/05/71/07/499057107.db2.gz BHXSBSCAHGRZSO-PWIZWCRZSA-N 2 0 373.545 3.167 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000284215857 499069833 /nfs/dbraw/zinc/06/98/33/499069833.db2.gz ZSQPWROGNTYSMQ-UHFFFAOYSA-N 2 0 368.481 3.095 20 30 FGEDRP C[N@H+](C[C@H]1CC12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2)C1CC1 ZINC000371321555 499309896 /nfs/dbraw/zinc/30/98/96/499309896.db2.gz QZBWZZKCJAUOBP-GOSISDBHSA-N 2 0 366.509 3.083 20 30 FGEDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000411752604 499786660 /nfs/dbraw/zinc/78/66/60/499786660.db2.gz DKWQDYIYLQLWHI-FQEVSTJZSA-N 2 0 356.514 3.000 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]C2CCC(C)(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000449079408 500919701 /nfs/dbraw/zinc/91/97/01/500919701.db2.gz YPWZTTTVLAIQJZ-ORFBVSJDSA-N 2 0 354.542 3.427 20 30 FGEDRP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602677995 506258407 /nfs/dbraw/zinc/25/84/07/506258407.db2.gz ZAMXJNYAKMTOBE-CTNGQTDRSA-N 2 0 355.526 3.445 20 30 FGEDRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507651417 503339452 /nfs/dbraw/zinc/33/94/52/503339452.db2.gz FHPCQZIPKIRNAH-JSRJAPPDSA-N 2 0 354.542 3.006 20 30 FGEDRP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000493644201 503437227 /nfs/dbraw/zinc/43/72/27/503437227.db2.gz SEHDPEMOHDBWBV-LVCYWYKZSA-N 2 0 355.526 3.041 20 30 FGEDRP CC(C)n1cc([C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000560165073 505008114 /nfs/dbraw/zinc/00/81/14/505008114.db2.gz BDCJYHPGUOJAGB-HDICACEKSA-N 2 0 356.518 3.246 20 30 FGEDRP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C#N ZINC000599307568 506405617 /nfs/dbraw/zinc/40/56/17/506405617.db2.gz UNDHKWVCGOKLAL-UHFFFAOYSA-N 2 0 368.569 3.495 20 30 FGEDRP C[C@@H](NC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258165 506681703 /nfs/dbraw/zinc/68/17/03/506681703.db2.gz KQQLWPQGWVHKQA-YLJYHZDGSA-N 2 0 367.493 3.017 20 30 FGEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000594445342 507136622 /nfs/dbraw/zinc/13/66/22/507136622.db2.gz DGLKHZMJFLUHKD-MSOLQXFVSA-N 2 0 362.905 3.004 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160697314 705259267 /nfs/dbraw/zinc/25/92/67/705259267.db2.gz PGKHXVIPLOLFIM-CYBMUJFWSA-N 2 0 358.408 3.432 20 30 FGEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000261941787 713716127 /nfs/dbraw/zinc/71/61/27/713716127.db2.gz MUFGCVLNUPHMNU-QGZVFWFLSA-N 2 0 364.603 3.188 20 30 FGEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000305256468 713792951 /nfs/dbraw/zinc/79/29/51/713792951.db2.gz WPFSKDQZDVCCNE-CYBMUJFWSA-N 2 0 358.408 3.432 20 30 FGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000810170156 725294368 /nfs/dbraw/zinc/29/43/68/725294368.db2.gz HKSQMIOFYQLUEM-UHFFFAOYSA-N 2 0 352.931 3.269 20 30 FGEDRP C[NH+]1CCC(C[NH2+]Cc2cc(C#N)cnc2Cl)(c2ccccc2)CC1 ZINC000877718599 736709831 /nfs/dbraw/zinc/70/98/31/736709831.db2.gz NJSSETHYFADTBM-UHFFFAOYSA-N 2 0 354.885 3.360 20 30 FGEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193974 739228400 /nfs/dbraw/zinc/22/84/00/739228400.db2.gz GLBCJKHUXYMTIY-ROUUACIJSA-N 2 0 361.555 3.255 20 30 FGEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1 ZINC000067453128 494544245 /nfs/dbraw/zinc/54/42/45/494544245.db2.gz REASGIBRKPVTAH-KDURUIRLSA-N 2 0 358.530 3.015 20 30 FGEDRP C=C(C)CN1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000134020163 495094627 /nfs/dbraw/zinc/09/46/27/495094627.db2.gz PRARBNRWYJESRE-UHFFFAOYSA-N 2 0 370.585 3.347 20 30 FGEDRP CC(C)[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCc2ccccc2C1 ZINC000123222457 495098966 /nfs/dbraw/zinc/09/89/66/495098966.db2.gz JSZWOLWHMDBKOH-QFIPXVFZSA-N 2 0 373.504 3.378 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000106034053 495404878 /nfs/dbraw/zinc/40/48/78/495404878.db2.gz ZCPPNIBPAKNDGR-LJQANCHMSA-N 2 0 373.516 3.194 20 30 FGEDRP CC[NH+](CC)CCCC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000182758697 495691853 /nfs/dbraw/zinc/69/18/53/495691853.db2.gz SCGQCAYPZLKUND-UHFFFAOYSA-N 2 0 356.514 3.331 20 30 FGEDRP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000180068835 495844389 /nfs/dbraw/zinc/84/43/89/495844389.db2.gz CWIHWEGPWYORTM-QGZVFWFLSA-N 2 0 351.498 3.170 20 30 FGEDRP C[C@@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000183226400 495888378 /nfs/dbraw/zinc/88/83/78/495888378.db2.gz QXMIZEFIXKBWBG-IBGZPJMESA-N 2 0 354.542 3.377 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000177488894 496083213 /nfs/dbraw/zinc/08/32/13/496083213.db2.gz RUYCGUNHOXUFDV-KDURUIRLSA-N 2 0 371.525 3.148 20 30 FGEDRP C[N@@H+]1CCC[C@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181991 496968862 /nfs/dbraw/zinc/96/88/62/496968862.db2.gz WOCYWQAONHIQKI-QFBILLFUSA-N 2 0 374.916 3.003 20 30 FGEDRP C#CCCOc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000271188470 497284989 /nfs/dbraw/zinc/28/49/89/497284989.db2.gz FGOPAJHZOUYFDO-UHFFFAOYSA-N 2 0 369.553 3.079 20 30 FGEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000189949852 497304072 /nfs/dbraw/zinc/30/40/72/497304072.db2.gz FZXNIYWCHOHHFU-SPEDKVCISA-N 2 0 363.505 3.338 20 30 FGEDRP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000277209242 497776258 /nfs/dbraw/zinc/77/62/58/497776258.db2.gz KTLNTINZWLWPNC-INIZCTEOSA-N 2 0 372.513 3.025 20 30 FGEDRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OCCCC#N ZINC000290352000 498520771 /nfs/dbraw/zinc/52/07/71/498520771.db2.gz GCYAYOAXOLIICQ-MOPGFXCFSA-N 2 0 357.498 3.294 20 30 FGEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000581997326 506109747 /nfs/dbraw/zinc/10/97/47/506109747.db2.gz WRSPOWOPTIEIID-RNUBBMKBSA-N 2 0 354.498 3.154 20 30 FGEDRP CC1(C)C[N@@H+](C2(CNC(=O)c3ccc4c[nH+]cn4c3)CCCCC2)CCO1 ZINC000328800492 498943162 /nfs/dbraw/zinc/94/31/62/498943162.db2.gz IIJLLGOTOMLQCM-UHFFFAOYSA-N 2 0 370.497 3.453 20 30 FGEDRP CN(CC(=O)NC1CCCCC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329074264 499033259 /nfs/dbraw/zinc/03/32/59/499033259.db2.gz BIDPYZFXDRFCBD-OXJNMPFZSA-N 2 0 361.534 3.024 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333770649 499074940 /nfs/dbraw/zinc/07/49/40/499074940.db2.gz BXWHMHHOBKUMMD-UHFFFAOYSA-N 2 0 366.553 3.197 20 30 FGEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(c3ccccn3)CC2)cc1 ZINC000367422707 499197191 /nfs/dbraw/zinc/19/71/91/499197191.db2.gz MHIWWVHFJMMYMW-QGZVFWFLSA-N 2 0 350.466 3.473 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000375461993 499521733 /nfs/dbraw/zinc/52/17/33/499521733.db2.gz KKADGSPKPMEVTE-UHFFFAOYSA-N 2 0 372.532 3.325 20 30 FGEDRP N#CCCn1cc(C[NH2+]Cc2cnc3n2CCCC3)c(-c2ccccc2)n1 ZINC000376729304 499632591 /nfs/dbraw/zinc/63/25/91/499632591.db2.gz PGJBAFJFXQJQMS-UHFFFAOYSA-N 2 0 360.465 3.286 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000377268318 499675494 /nfs/dbraw/zinc/67/54/94/499675494.db2.gz SSWRTVALMDWQDL-UHFFFAOYSA-N 2 0 372.532 3.325 20 30 FGEDRP COc1cc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1C#N ZINC000414716407 499822573 /nfs/dbraw/zinc/82/25/73/499822573.db2.gz OPEUWYXAGOOEFS-FQEVSTJZSA-N 2 0 350.466 3.106 20 30 FGEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444649886 500873495 /nfs/dbraw/zinc/87/34/95/500873495.db2.gz LHJGKZFDIKGCJK-UHFFFAOYSA-N 2 0 364.578 3.122 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449082581 500920003 /nfs/dbraw/zinc/92/00/03/500920003.db2.gz OHIRAWTXCIOEHX-UHFFFAOYSA-N 2 0 354.542 3.386 20 30 FGEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000435731222 501019715 /nfs/dbraw/zinc/01/97/15/501019715.db2.gz KIEUXTYRXPKONH-OXQOHEQNSA-N 2 0 363.933 3.163 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)C(C)C ZINC000483676623 502459482 /nfs/dbraw/zinc/45/94/82/502459482.db2.gz BZEJHOHIEBXZJN-HSALFYBXSA-N 2 0 364.578 3.199 20 30 FGEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000503222209 503370368 /nfs/dbraw/zinc/37/03/68/503370368.db2.gz LAYATRKSIKAISN-IAGOWNOFSA-N 2 0 362.543 3.439 20 30 FGEDRP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC#CC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469102 503561757 /nfs/dbraw/zinc/56/17/57/503561757.db2.gz OANMBDTYZPNDLQ-COPRSSIGSA-N 2 0 364.574 3.021 20 30 FGEDRP C=CCOc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543618099 503830335 /nfs/dbraw/zinc/83/03/35/503830335.db2.gz MTBPKRCCUJMKSA-UHFFFAOYSA-N 2 0 357.542 3.101 20 30 FGEDRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000538507894 504268029 /nfs/dbraw/zinc/26/80/29/504268029.db2.gz KBNOKJCKIQINRE-QGZVFWFLSA-N 2 0 358.505 3.298 20 30 FGEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000546017218 504675874 /nfs/dbraw/zinc/67/58/74/504675874.db2.gz NSFMUNJOTUCNPG-UHFFFAOYSA-N 2 0 370.541 3.103 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073197 507380199 /nfs/dbraw/zinc/38/01/99/507380199.db2.gz SYGVWVVBMGFWIZ-KXBFYZLASA-N 2 0 353.441 3.115 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000598725265 507569782 /nfs/dbraw/zinc/56/97/82/507569782.db2.gz WRJMXZBKKFBLCZ-XSDIEEQYSA-N 2 0 355.526 3.177 20 30 FGEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000118161336 700607573 /nfs/dbraw/zinc/60/75/73/700607573.db2.gz IOIKAZUGEXJCOY-HOCLYGCPSA-N 2 0 354.420 3.179 20 30 FGEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160754869 705260646 /nfs/dbraw/zinc/26/06/46/705260646.db2.gz OYNZNXJOUYNFTA-ZDUSSCGKSA-N 2 0 358.408 3.290 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414909069 714005542 /nfs/dbraw/zinc/00/55/42/714005542.db2.gz BVZJGXWYWLPTKW-KGLIPLIRSA-N 2 0 369.303 3.382 20 30 FGEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554327 732038296 /nfs/dbraw/zinc/03/82/96/732038296.db2.gz QZWBHDXEVNROBU-QGZVFWFLSA-N 2 0 356.495 3.120 20 30 FGEDRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)s1 ZINC000376166409 257449409 /nfs/dbraw/zinc/44/94/09/257449409.db2.gz LVGZQDGCWDMCSK-INIZCTEOSA-N 2 0 360.571 3.467 20 30 FGEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000070870066 494063243 /nfs/dbraw/zinc/06/32/43/494063243.db2.gz VVLCSTSWWYROEO-SFHVURJKSA-N 2 0 370.541 3.349 20 30 FGEDRP COc1cc(C#N)ccc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000121158851 494624666 /nfs/dbraw/zinc/62/46/66/494624666.db2.gz IFNFCBNBBBPZLG-QZTJIDSGSA-N 2 0 371.525 3.278 20 30 FGEDRP C=CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093735071 494914525 /nfs/dbraw/zinc/91/45/25/494914525.db2.gz BQKXHLUJSBRRPH-UHFFFAOYSA-N 2 0 374.525 3.337 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127836518 495005152 /nfs/dbraw/zinc/00/51/52/495005152.db2.gz VOBRHDFCCNDRER-DLBZAZTESA-N 2 0 351.922 3.104 20 30 FGEDRP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123657705 495167434 /nfs/dbraw/zinc/16/74/34/495167434.db2.gz BAWXZHLOCNWHOY-IBGZPJMESA-N 2 0 370.541 3.376 20 30 FGEDRP COc1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000135130909 495254178 /nfs/dbraw/zinc/25/41/78/495254178.db2.gz CFOFMDUETHYTPI-ROUUACIJSA-N 2 0 371.525 3.278 20 30 FGEDRP FC(F)(F)c1ccc(C#CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000177277052 496004035 /nfs/dbraw/zinc/00/40/35/496004035.db2.gz HIEPQJXFINNNRU-UHFFFAOYSA-N 2 0 366.427 3.101 20 30 FGEDRP CN(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181402788 496379279 /nfs/dbraw/zinc/37/92/79/496379279.db2.gz HDTZIUJYDIZDMW-HXUWFJFHSA-N 2 0 368.550 3.477 20 30 FGEDRP C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCCC1 ZINC000181539328 496437287 /nfs/dbraw/zinc/43/72/87/496437287.db2.gz ORGDPIWDZURSHH-IBGZPJMESA-N 2 0 354.542 3.234 20 30 FGEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000274627594 497133130 /nfs/dbraw/zinc/13/31/30/497133130.db2.gz NYUVXJSTLRCKCG-KPQWGBOZSA-N 2 0 354.542 3.006 20 30 FGEDRP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OCCCC#N ZINC000278498234 497135552 /nfs/dbraw/zinc/13/55/52/497135552.db2.gz NFILYXJSGBNZCO-UHFFFAOYSA-N 2 0 357.498 3.342 20 30 FGEDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000278750215 497208306 /nfs/dbraw/zinc/20/83/06/497208306.db2.gz NWIQVDMVNZEGTO-NRFANRHFSA-N 2 0 364.493 3.091 20 30 FGEDRP C[NH+](C)CCN1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271054673 497254243 /nfs/dbraw/zinc/25/42/43/497254243.db2.gz CFXSHPMVSSNLSN-UHFFFAOYSA-N 2 0 354.542 3.006 20 30 FGEDRP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000290402314 498538228 /nfs/dbraw/zinc/53/82/28/498538228.db2.gz JNJVUEKWQACLFY-HXUWFJFHSA-N 2 0 363.509 3.122 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287584278 498804010 /nfs/dbraw/zinc/80/40/10/498804010.db2.gz ZEKRMZYRBHCFDH-XLIONFOSSA-N 2 0 358.530 3.018 20 30 FGEDRP Cc1nccn1-c1ccc([C@H](C)NC(=O)C2(N3CCOCC3)CCC2)cc1 ZINC000329093127 499039834 /nfs/dbraw/zinc/03/98/34/499039834.db2.gz KDTFPLRGBMABOJ-INIZCTEOSA-N 2 0 368.481 3.453 20 30 FGEDRP N#CCSCCC[N@@H+]1CCC2(C1)CC[NH+](CCCSCC#N)CC2 ZINC000368760722 499329133 /nfs/dbraw/zinc/32/91/33/499329133.db2.gz HBILSYOOBSUXCX-UHFFFAOYSA-N 2 0 366.600 3.068 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000369340928 499393253 /nfs/dbraw/zinc/39/32/53/499393253.db2.gz BFJCEVKJQXHHEI-STZQEDGTSA-N 2 0 371.525 3.348 20 30 FGEDRP C#CCCOc1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000372413340 499432001 /nfs/dbraw/zinc/43/20/01/499432001.db2.gz KJVXRVMTWNCWHD-UHFFFAOYSA-N 2 0 356.510 3.164 20 30 FGEDRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000376163171 499587843 /nfs/dbraw/zinc/58/78/43/499587843.db2.gz ASJAEXZOWYYKGY-GOSISDBHSA-N 2 0 354.542 3.405 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415038819 499857095 /nfs/dbraw/zinc/85/70/95/499857095.db2.gz NKYUIDRTEGTYJC-TZMCWYRMSA-N 2 0 369.303 3.240 20 30 FGEDRP CCc1ccccc1[C@H]([NH3+])CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423503684 500379697 /nfs/dbraw/zinc/37/96/97/500379697.db2.gz MZMSEPVWJCZHOZ-HSZRJFAPSA-N 2 0 362.521 3.375 20 30 FGEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000423523372 500381805 /nfs/dbraw/zinc/38/18/05/500381805.db2.gz IIAKBCXBNWZGOR-QFIPXVFZSA-N 2 0 360.505 3.129 20 30 FGEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000435727681 501019000 /nfs/dbraw/zinc/01/90/00/501019000.db2.gz DRWVAAJPNYFQHM-IFMALSPDSA-N 2 0 357.542 3.289 20 30 FGEDRP COCC[N@H+](C)CCCC1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459378306 501642120 /nfs/dbraw/zinc/64/21/20/501642120.db2.gz VXLUFARUZRCELE-UHFFFAOYSA-N 2 0 374.485 3.037 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)C(C)C ZINC000483676624 502460010 /nfs/dbraw/zinc/46/00/10/502460010.db2.gz BZEJHOHIEBXZJN-SLFFLAALSA-N 2 0 364.578 3.199 20 30 FGEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000481175464 502773061 /nfs/dbraw/zinc/77/30/61/502773061.db2.gz KHANMUJXKYOBMB-IRFCIJBXSA-N 2 0 357.542 3.300 20 30 FGEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513415686 502931931 /nfs/dbraw/zinc/93/19/31/502931931.db2.gz KMOJSYXTNKZDJK-IYBDPMFKSA-N 2 0 372.476 3.444 20 30 FGEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513415685 502932001 /nfs/dbraw/zinc/93/20/01/502932001.db2.gz KMOJSYXTNKZDJK-HZPDHXFCSA-N 2 0 372.476 3.444 20 30 FGEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000501766422 503074977 /nfs/dbraw/zinc/07/49/77/503074977.db2.gz PLBHCQASRDVCCE-UHFFFAOYSA-N 2 0 368.525 3.381 20 30 FGEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)C1 ZINC000515074317 503266015 /nfs/dbraw/zinc/26/60/15/503266015.db2.gz GMPRTSZSVFZHBW-QGZVFWFLSA-N 2 0 374.492 3.123 20 30 FGEDRP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536703509 503688862 /nfs/dbraw/zinc/68/88/62/503688862.db2.gz QEWIDSMMTWUXAG-LJQANCHMSA-N 2 0 370.541 3.209 20 30 FGEDRP N#Cc1ccc(C[N@@H+]2CCCN([C@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072349 505152852 /nfs/dbraw/zinc/15/28/52/505152852.db2.gz UXVNTDFFZNVYTB-DEOSSOPVSA-N 2 0 374.532 3.340 20 30 FGEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000597084334 506764401 /nfs/dbraw/zinc/76/44/01/506764401.db2.gz YFDVVRWWKHKSDQ-UHFFFAOYSA-N 2 0 366.553 3.091 20 30 FGEDRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCCC1)c1ccccc1 ZINC000594436223 507130893 /nfs/dbraw/zinc/13/08/93/507130893.db2.gz BWAYIYMAPDQWKX-MJGOQNOKSA-N 2 0 356.514 3.177 20 30 FGEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000594440882 507134813 /nfs/dbraw/zinc/13/48/13/507134813.db2.gz IXBBTELOOZLJHM-DFQSSKMNSA-N 2 0 356.514 3.082 20 30 FGEDRP N#Cc1ccc(OCC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000610271284 507170765 /nfs/dbraw/zinc/17/07/65/507170765.db2.gz MBESBCSVKOTRPA-UHFFFAOYSA-N 2 0 365.477 3.201 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073193 507379048 /nfs/dbraw/zinc/37/90/48/507379048.db2.gz SYGVWVVBMGFWIZ-DNVCBOLYSA-N 2 0 353.441 3.115 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289671 507449300 /nfs/dbraw/zinc/44/93/00/507449300.db2.gz PUQIDRDQKGZEKZ-BGYRXZFFSA-N 2 0 354.542 3.044 20 30 FGEDRP C=CCN1CCC([NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182640364 705854509 /nfs/dbraw/zinc/85/45/09/705854509.db2.gz DQAMONNYXXUGHK-AEFFLSMTSA-N 2 0 351.535 3.405 20 30 FGEDRP [NH2+]=C(NCCc1cccs1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000303883779 713789579 /nfs/dbraw/zinc/78/95/79/713789579.db2.gz MGHKSUVZWGZMNO-UHFFFAOYSA-N 2 0 362.568 3.169 20 30 FGEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303988909 713791018 /nfs/dbraw/zinc/79/10/18/713791018.db2.gz WYJXEYSWHRKFOI-OCCSQVGLSA-N 2 0 373.328 3.070 20 30 FGEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305685414 713793259 /nfs/dbraw/zinc/79/32/59/713793259.db2.gz OLBBGHRXMVNFSC-PBHICJAKSA-N 2 0 352.885 3.273 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650711958 718718682 /nfs/dbraw/zinc/71/86/82/718718682.db2.gz KYCHYBDFKNBRLX-UHFFFAOYSA-N 2 0 369.303 3.241 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000817971607 727290101 /nfs/dbraw/zinc/29/01/01/727290101.db2.gz FWAWLRBXRNDRKN-MRXNPFEDSA-N 2 0 352.906 3.485 20 30 FGEDRP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004442370 765432735 /nfs/dbraw/zinc/43/27/35/765432735.db2.gz LTBFBTXCZWLRBV-OTWHNJEPSA-N 2 0 367.965 3.172 20 30 FGEDRP C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000568050886 505604115 /nfs/dbraw/zinc/60/41/15/505604115.db2.gz LHBZMFQEGAGDKU-QGZVFWFLSA-N 2 0 374.492 3.057 20 30 FGEDRP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCC[NH+](C)C1 ZINC000118842644 495047018 /nfs/dbraw/zinc/04/70/18/495047018.db2.gz VTTXQWBILJRDLZ-HNNXBMFYSA-N 2 0 374.554 3.101 20 30 FGEDRP C[NH+](C)CCCC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000123159680 495089356 /nfs/dbraw/zinc/08/93/56/495089356.db2.gz TYHNOEOEUUQWAQ-UHFFFAOYSA-N 2 0 374.554 3.295 20 30 FGEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000120220263 495330657 /nfs/dbraw/zinc/33/06/57/495330657.db2.gz CVHCKPBRVSDDAW-FQEVSTJZSA-N 2 0 368.525 3.331 20 30 FGEDRP C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766618 495718955 /nfs/dbraw/zinc/71/89/55/495718955.db2.gz JHXXREMSGWJFMC-WMZOPIPTSA-N 2 0 354.498 3.129 20 30 FGEDRP CCC[N@H+](C)C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215341 495909877 /nfs/dbraw/zinc/90/98/77/495909877.db2.gz WHBFUGABJSLPGI-SFHVURJKSA-N 2 0 351.498 3.122 20 30 FGEDRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513585 496427326 /nfs/dbraw/zinc/42/73/26/496427326.db2.gz KTDGCRGWCJUGJU-PMACEKPBSA-N 2 0 368.569 3.480 20 30 FGEDRP CCC[NH+]1CCC(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181695669 496505955 /nfs/dbraw/zinc/50/59/55/496505955.db2.gz BBMGBORNTIIWNB-UHFFFAOYSA-N 3 0 354.542 3.234 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291568 496877213 /nfs/dbraw/zinc/87/72/13/496877213.db2.gz LLOHKKNLCCLIBZ-GOSISDBHSA-N 2 0 352.482 3.082 20 30 FGEDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000278750219 497208333 /nfs/dbraw/zinc/20/83/33/497208333.db2.gz NWIQVDMVNZEGTO-OAQYLSRUSA-N 2 0 364.493 3.091 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000572148025 505901128 /nfs/dbraw/zinc/90/11/28/505901128.db2.gz NJEZAXQAMOMVIR-RAUXBKROSA-N 2 0 356.489 3.176 20 30 FGEDRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000329789401 497901414 /nfs/dbraw/zinc/90/14/14/497901414.db2.gz BXQBAVJVKQGPTG-RTBURBONSA-N 2 0 371.529 3.045 20 30 FGEDRP COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000370235629 499200468 /nfs/dbraw/zinc/20/04/68/499200468.db2.gz HITUQZCMBIJMST-RBUKOAKNSA-N 2 0 366.465 3.429 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)C2)c(F)c1 ZINC000579342537 506151847 /nfs/dbraw/zinc/15/18/47/506151847.db2.gz VRVBZXFYGWONFJ-RYGJVYDSSA-N 2 0 350.441 3.401 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C(C)C ZINC000415948707 499931983 /nfs/dbraw/zinc/93/19/83/499931983.db2.gz ABNNYIQSXUWWCR-LJQANCHMSA-N 2 0 374.504 3.292 20 30 FGEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975120 501878244 /nfs/dbraw/zinc/87/82/44/501878244.db2.gz MCOGYGUSABBLBY-MRXNPFEDSA-N 2 0 374.916 3.204 20 30 FGEDRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000596148049 506280498 /nfs/dbraw/zinc/28/04/98/506280498.db2.gz YRAJCWNPSCLAAS-BRSBDYLESA-N 2 0 370.545 3.051 20 30 FGEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000594925500 507318123 /nfs/dbraw/zinc/31/81/23/507318123.db2.gz NEDSVHGOGBBLCG-UHFFFAOYSA-N 2 0 374.532 3.279 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)cc2)CC1 ZINC000594974234 507338118 /nfs/dbraw/zinc/33/81/18/507338118.db2.gz IYIQTALOISPFGT-JOCHJYFZSA-N 2 0 361.489 3.098 20 30 FGEDRP Cc1cc(C#N)ccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000614402673 507498023 /nfs/dbraw/zinc/49/80/23/507498023.db2.gz PMSXNNDAXSYTIL-UHFFFAOYSA-N 3 0 368.569 3.495 20 30 FGEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccnc(C#N)c2)CC1 ZINC000611385439 507655668 /nfs/dbraw/zinc/65/56/68/507655668.db2.gz JQJKKLYWJVVFLD-INIZCTEOSA-N 2 0 367.472 3.085 20 30 FGEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](CC)C1)N1CCSC2(CCCCC2)C1 ZINC000261794376 713714575 /nfs/dbraw/zinc/71/45/75/713714575.db2.gz GJYWLFSEAIZFME-QGZVFWFLSA-N 2 0 352.592 3.045 20 30 FGEDRP C[C@H](NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000262017395 713717342 /nfs/dbraw/zinc/71/73/42/713717342.db2.gz WQWMQRQCGSLVKH-RYUDHWBXSA-N 2 0 355.313 3.443 20 30 FGEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1cccs1 ZINC000304780609 713791788 /nfs/dbraw/zinc/79/17/88/713791788.db2.gz FZKCBSAJBZTJQN-HKUYNNGSSA-N 2 0 356.539 3.278 20 30 FGEDRP C=CCN1CCC([NH2+][C@H](CC)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000834571420 729815294 /nfs/dbraw/zinc/81/52/94/729815294.db2.gz SVVUXKCRZGCZGP-QZTJIDSGSA-N 2 0 351.535 3.405 20 30 FGEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000876755490 736140679 /nfs/dbraw/zinc/14/06/79/736140679.db2.gz LTFVKJHYEMMWLE-KRWDZBQOSA-N 2 0 370.324 3.138 20 30 FGEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948327 736167108 /nfs/dbraw/zinc/16/71/08/736167108.db2.gz LQJGTAUDCKXYMO-MRXNPFEDSA-N 2 0 353.919 3.283 20 30 FGEDRP C=CCOc1ccccc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000571206169 505678671 /nfs/dbraw/zinc/67/86/71/505678671.db2.gz KHTGFQDXCMKLNW-UHFFFAOYSA-N 2 0 357.542 3.101 20 30 FGEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000122131814 494929061 /nfs/dbraw/zinc/92/90/61/494929061.db2.gz TZJCTVODVMPHDG-UHFFFAOYSA-N 2 0 359.514 3.137 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127836055 495005158 /nfs/dbraw/zinc/00/51/58/495005158.db2.gz VOBRHDFCCNDRER-IRXDYDNUSA-N 2 0 351.922 3.104 20 30 FGEDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000118868217 495051419 /nfs/dbraw/zinc/05/14/19/495051419.db2.gz XQUZMGVDKONYRF-UHFFFAOYSA-N 2 0 362.905 3.204 20 30 FGEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000104180744 495271100 /nfs/dbraw/zinc/27/11/00/495271100.db2.gz WGMMZBMSERDIFA-HNNXBMFYSA-N 2 0 358.511 3.396 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000106328666 495444742 /nfs/dbraw/zinc/44/47/42/495444742.db2.gz IFFDYEVOEYATBY-NRFANRHFSA-N 2 0 372.557 3.191 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000176963377 495861025 /nfs/dbraw/zinc/86/10/25/495861025.db2.gz VQYBCNROKSMQLT-AWEZNQCLSA-N 2 0 358.486 3.361 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175473994 496406807 /nfs/dbraw/zinc/40/68/07/496406807.db2.gz NUJPXDINCKDGMV-IBGZPJMESA-N 2 0 372.557 3.237 20 30 FGEDRP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000264110456 496814483 /nfs/dbraw/zinc/81/44/83/496814483.db2.gz OTFHEFJFKXFXIU-SFHVURJKSA-N 2 0 368.481 3.268 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000271080243 497259928 /nfs/dbraw/zinc/25/99/28/497259928.db2.gz QNTPAWRVAPYDFP-ATKRNPRHSA-N 2 0 355.526 3.217 20 30 FGEDRP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(OCC#N)cc1 ZINC000271814048 497459171 /nfs/dbraw/zinc/45/91/71/497459171.db2.gz BGTXIIKGOKYBHJ-SFHVURJKSA-N 2 0 367.493 3.423 20 30 FGEDRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000245874483 497557131 /nfs/dbraw/zinc/55/71/31/497557131.db2.gz JVJVHDQOHDHRQR-OALUTQOASA-N 2 0 354.542 3.233 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292996293 498227538 /nfs/dbraw/zinc/22/75/38/498227538.db2.gz OLDDESHXHJLEJN-UGKGYDQZSA-N 2 0 368.525 3.048 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000576317114 506128704 /nfs/dbraw/zinc/12/87/04/506128704.db2.gz RCQGDTLWPZRMGZ-DEOSSOPVSA-N 2 0 374.532 3.473 20 30 FGEDRP O=C(NCc1cccc(-n2ccnc2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329459274 499124450 /nfs/dbraw/zinc/12/44/50/499124450.db2.gz OSYCXXHVHRBCKL-UHFFFAOYSA-N 2 0 367.497 3.237 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411553079 499753909 /nfs/dbraw/zinc/75/39/09/499753909.db2.gz QOKMEAUKFRSLBL-KSZLIROESA-N 2 0 374.554 3.215 20 30 FGEDRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000414303707 499775710 /nfs/dbraw/zinc/77/57/10/499775710.db2.gz LWAJCQPECBNPML-QGZVFWFLSA-N 2 0 367.468 3.375 20 30 FGEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000421333394 500019617 /nfs/dbraw/zinc/01/96/17/500019617.db2.gz NUJBAVGCCKKAJH-UHFFFAOYSA-N 2 0 366.484 3.389 20 30 FGEDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916252 501917378 /nfs/dbraw/zinc/91/73/78/501917378.db2.gz NHYJBGWRVSTMFV-JOCHJYFZSA-N 2 0 354.542 3.333 20 30 FGEDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000466412485 502563064 /nfs/dbraw/zinc/56/30/64/502563064.db2.gz QYRJEWHVCLGBKG-UHFFFAOYSA-N 2 0 368.912 3.296 20 30 FGEDRP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc2n[nH]cc2c1 ZINC000513415681 502932214 /nfs/dbraw/zinc/93/22/14/502932214.db2.gz KMOJSYXTNKZDJK-HOTGVXAUSA-N 2 0 372.476 3.444 20 30 FGEDRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCCC1)c1ccccc1 ZINC000594436217 507131042 /nfs/dbraw/zinc/13/10/42/507131042.db2.gz BWAYIYMAPDQWKX-HKUYNNGSSA-N 2 0 356.514 3.177 20 30 FGEDRP N#Cc1ccc(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1 ZINC000595904698 507735384 /nfs/dbraw/zinc/73/53/84/507735384.db2.gz BCVBEZCGMWFGSY-UHFFFAOYSA-N 2 0 363.509 3.170 20 30 FGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000602535821 507740256 /nfs/dbraw/zinc/74/02/56/507740256.db2.gz UANSKKUXLAIBGU-FPOVZHCZSA-N 2 0 355.526 3.240 20 30 FGEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1cccs1 ZINC000304807242 713792092 /nfs/dbraw/zinc/79/20/92/713792092.db2.gz SXAOBNQQPIXDAV-YOEHRIQHSA-N 2 0 362.568 3.340 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414909072 714005564 /nfs/dbraw/zinc/00/55/64/714005564.db2.gz BVZJGXWYWLPTKW-UONOGXRCSA-N 2 0 369.303 3.382 20 30 FGEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000876755492 736140420 /nfs/dbraw/zinc/14/04/20/736140420.db2.gz LTFVKJHYEMMWLE-QGZVFWFLSA-N 2 0 370.324 3.138 20 30 FGEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@]1(C)CCCCO1 ZINC000902880090 743783499 /nfs/dbraw/zinc/78/34/99/743783499.db2.gz CLSCHJAQSIEJHA-IVAOSVALSA-N 2 0 350.547 3.248 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921538740 758738140 /nfs/dbraw/zinc/73/81/40/758738140.db2.gz BZAQZUMRHGXILJ-UHFFFAOYSA-N 2 0 354.523 3.047 20 30 FGEDRP C[NH+](CCOCC[N@@H+](C)Cc1cc(C#N)cs1)Cc1cc(C#N)cs1 ZINC000933773925 761471006 /nfs/dbraw/zinc/47/10/06/761471006.db2.gz SXQUIOSEGWQPDO-UHFFFAOYSA-N 2 0 374.535 3.133 20 30 FGEDRP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090107092 494443156 /nfs/dbraw/zinc/44/31/56/494443156.db2.gz CXFNXJWOFXDGRT-KRWDZBQOSA-N 2 0 353.466 3.228 20 30 FGEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000122058845 494917088 /nfs/dbraw/zinc/91/70/88/494917088.db2.gz VNAWQAIGJPVCOA-UHFFFAOYSA-N 2 0 359.514 3.137 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000118834165 495044719 /nfs/dbraw/zinc/04/47/19/495044719.db2.gz BEWSFDQZCHASBT-FQEVSTJZSA-N 2 0 368.525 3.475 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000177513147 496092703 /nfs/dbraw/zinc/09/27/03/496092703.db2.gz QJXUCKWVXAMJGV-OALUTQOASA-N 2 0 371.525 3.148 20 30 FGEDRP CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000191492965 496781848 /nfs/dbraw/zinc/78/18/48/496781848.db2.gz FSOYBDGOKUGVHM-UHFFFAOYSA-N 2 0 373.526 3.346 20 30 FGEDRP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C[NH+]1CCCCC1 ZINC000278545241 497149749 /nfs/dbraw/zinc/14/97/49/497149749.db2.gz ASEJOBNEODXAKY-GOSISDBHSA-N 2 0 366.513 3.070 20 30 FGEDRP C[N@@H+]1CCC[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976940 497588522 /nfs/dbraw/zinc/58/85/22/497588522.db2.gz XESXODBTZDBJFK-FUHWJXTLSA-N 2 0 352.400 3.353 20 30 FGEDRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000290464715 498562662 /nfs/dbraw/zinc/56/26/62/498562662.db2.gz WRMAXEINXIBZHJ-KRWDZBQOSA-N 2 0 368.481 3.165 20 30 FGEDRP C[C@H](CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)N1CCOCC1 ZINC000329432882 499120853 /nfs/dbraw/zinc/12/08/53/499120853.db2.gz IUXDXSMYNYXAFZ-AEFFLSMTSA-N 2 0 374.529 3.170 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342841 499393633 /nfs/dbraw/zinc/39/36/33/499393633.db2.gz KSJDLWGQZUNEAS-STZQEDGTSA-N 2 0 370.541 3.015 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412039127 499815713 /nfs/dbraw/zinc/81/57/13/499815713.db2.gz LIKWYVMHSBXCDH-UHFFFAOYSA-N 2 0 355.526 3.443 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C(C)C ZINC000415948706 499931987 /nfs/dbraw/zinc/93/19/87/499931987.db2.gz ABNNYIQSXUWWCR-IBGZPJMESA-N 2 0 374.504 3.292 20 30 FGEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422976174 500326127 /nfs/dbraw/zinc/32/61/27/500326127.db2.gz HXJMBYZAGVLLTJ-NBHGPNQESA-N 2 0 366.484 3.214 20 30 FGEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423060500 500336747 /nfs/dbraw/zinc/33/67/47/500336747.db2.gz OPSOXACWDRTENL-ZCGYKAAXSA-N 2 0 365.481 3.156 20 30 FGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(N)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000423523351 500381709 /nfs/dbraw/zinc/38/17/09/500381709.db2.gz IIAKBCXBNWZGOR-JOCHJYFZSA-N 2 0 360.505 3.129 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000481673303 501845456 /nfs/dbraw/zinc/84/54/56/501845456.db2.gz CSXPPOGPFHCOOD-GCJKJVERSA-N 2 0 353.510 3.416 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000515165836 503282686 /nfs/dbraw/zinc/28/26/86/503282686.db2.gz KKSATTXFTKQSBE-OAQYLSRUSA-N 2 0 358.526 3.151 20 30 FGEDRP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000533295901 503794570 /nfs/dbraw/zinc/79/45/70/503794570.db2.gz NDKHOHANLKFGBS-IAGOWNOFSA-N 2 0 374.554 3.150 20 30 FGEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000559891941 504945215 /nfs/dbraw/zinc/94/52/15/504945215.db2.gz GYBMBHHMYDUUDO-HKBOAZHASA-N 2 0 353.510 3.197 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000566973956 505328123 /nfs/dbraw/zinc/32/81/23/505328123.db2.gz QZDDYIBSZCKNNN-VXGBXAGGSA-N 2 0 357.292 3.238 20 30 FGEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593323600 506541941 /nfs/dbraw/zinc/54/19/41/506541941.db2.gz QWKUQDYXFYFRKY-MRXNPFEDSA-N 2 0 363.509 3.036 20 30 FGEDRP CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594440444 507132667 /nfs/dbraw/zinc/13/26/67/507132667.db2.gz CKFDBQXIBXNWHT-LEWJYISDSA-N 2 0 370.541 3.301 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000611392983 507658733 /nfs/dbraw/zinc/65/87/33/507658733.db2.gz AKBHMMGASWHQOW-GOTSBHOMSA-N 2 0 361.489 3.162 20 30 FGEDRP C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262825378 713729833 /nfs/dbraw/zinc/72/98/33/713729833.db2.gz XZQZGVCOBWNEEE-OAHLLOKOSA-N 2 0 364.534 3.041 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000077313198 494055197 /nfs/dbraw/zinc/05/51/97/494055197.db2.gz DKCZCINNTQMQSI-UHFFFAOYSA-N 2 0 359.514 3.390 20 30 FGEDRP COc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000135130888 495254083 /nfs/dbraw/zinc/25/40/83/495254083.db2.gz CFOFMDUETHYTPI-HDICACEKSA-N 2 0 371.525 3.278 20 30 FGEDRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000183683295 496076599 /nfs/dbraw/zinc/07/65/99/496076599.db2.gz YGWWQQIHVWLGRL-OAHLLOKOSA-N 2 0 359.433 3.342 20 30 FGEDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000264195585 496834452 /nfs/dbraw/zinc/83/44/52/496834452.db2.gz HBBGCVJTEIBKLF-UHFFFAOYSA-N 2 0 374.554 3.242 20 30 FGEDRP C=CCOc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271180501 497282841 /nfs/dbraw/zinc/28/28/41/497282841.db2.gz CLDWZJGBBKBJAX-UHFFFAOYSA-N 2 0 357.542 3.242 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000271507023 497366595 /nfs/dbraw/zinc/36/65/95/497366595.db2.gz NERRSYVIJOGGTH-XOUFRROXSA-N 2 0 367.537 3.358 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000271507013 497366799 /nfs/dbraw/zinc/36/67/99/497366799.db2.gz NERRSYVIJOGGTH-CIFBLZBGSA-N 2 0 367.537 3.358 20 30 FGEDRP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000245569207 497460989 /nfs/dbraw/zinc/46/09/89/497460989.db2.gz VZFCSAZSKVYQRM-GUDVDZBRSA-N 2 0 371.525 3.299 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246786555 497810671 /nfs/dbraw/zinc/81/06/71/497810671.db2.gz MBXRCFWYIAAZMQ-KSEOMHKRSA-N 2 0 370.537 3.104 20 30 FGEDRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000286234755 498334330 /nfs/dbraw/zinc/33/43/30/498334330.db2.gz SYEJXVKAXOOLSU-RTBURBONSA-N 2 0 370.541 3.006 20 30 FGEDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000331900684 498494450 /nfs/dbraw/zinc/49/44/50/498494450.db2.gz HSUMAYVFHPNFBU-UHFFFAOYSA-N 2 0 374.554 3.101 20 30 FGEDRP CC(C)c1nccn1[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785278 499555489 /nfs/dbraw/zinc/55/54/89/499555489.db2.gz BCKJMWRBHFCVBO-ROUUACIJSA-N 2 0 371.529 3.375 20 30 FGEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000378167297 499761834 /nfs/dbraw/zinc/76/18/34/499761834.db2.gz HCALRYLJWUIIHH-FQEVSTJZSA-N 2 0 354.542 3.088 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)CC[NH3+])cc1OCC ZINC000414885615 499841494 /nfs/dbraw/zinc/84/14/94/499841494.db2.gz OWXOEURKCMWJAH-GFCCVEGCSA-N 2 0 357.292 3.240 20 30 FGEDRP C=C(C)[C@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423049699 500335797 /nfs/dbraw/zinc/33/57/97/500335797.db2.gz KGIOCFRIFWQYHQ-KSSFIOAISA-N 2 0 366.452 3.493 20 30 FGEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439437433 500897361 /nfs/dbraw/zinc/89/73/61/500897361.db2.gz KHMVQQXHURVYPJ-UHFFFAOYSA-N 2 0 360.933 3.061 20 30 FGEDRP CC(C)[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000481919523 501917754 /nfs/dbraw/zinc/91/77/54/501917754.db2.gz STZMTTPXABCKMX-FCHUYYIVSA-N 2 0 354.542 3.187 20 30 FGEDRP N#CC1(C[C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000528513788 504255390 /nfs/dbraw/zinc/25/53/90/504255390.db2.gz VUIQBKNOKLDTIV-FQEVSTJZSA-N 2 0 353.510 3.029 20 30 FGEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCSCc1ccccc1C#N ZINC000542320153 504449470 /nfs/dbraw/zinc/44/94/70/504449470.db2.gz VWYWHXVTOWPAHF-UHFFFAOYSA-N 2 0 363.490 3.470 20 30 FGEDRP C=CCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000532120021 504540842 /nfs/dbraw/zinc/54/08/42/504540842.db2.gz MLPLHTDMQSUEOH-UHFFFAOYSA-N 2 0 352.906 3.230 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000552493032 505502761 /nfs/dbraw/zinc/50/27/61/505502761.db2.gz RMJVXHLILXTGLQ-UHFFFAOYSA-N 2 0 355.526 3.443 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604193968 506745414 /nfs/dbraw/zinc/74/54/14/506745414.db2.gz MNBUUUTXRHPJJJ-OAQYLSRUSA-N 2 0 370.541 3.163 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000594498974 507155162 /nfs/dbraw/zinc/15/51/62/507155162.db2.gz WLUXJQDWJMKEDP-LEWJYISDSA-N 2 0 355.526 3.345 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154328137 705030953 /nfs/dbraw/zinc/03/09/53/705030953.db2.gz QMPJNCNXQFYZCQ-SFHVURJKSA-N 2 0 365.949 3.496 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155749565 705089512 /nfs/dbraw/zinc/08/95/12/705089512.db2.gz HXULFYVTXSCTHN-ZWKOTPCHSA-N 2 0 365.949 3.495 20 30 FGEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262049714 713717913 /nfs/dbraw/zinc/71/79/13/713717913.db2.gz VOAMXVHIJMLHNZ-SUMWQHHRSA-N 2 0 352.885 3.319 20 30 FGEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCc1cccs1)Cc1ccccc1 ZINC000303874384 713789455 /nfs/dbraw/zinc/78/94/55/713789455.db2.gz DAVHSBRFHXVQNP-GOSISDBHSA-N 2 0 358.555 3.148 20 30 FGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000778163979 724305540 /nfs/dbraw/zinc/30/55/40/724305540.db2.gz KMPXKTMRYIYKQB-IAGOWNOFSA-N 2 0 364.917 3.331 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3csc(C#N)c3)CC2)CC1 ZINC000892149652 739970708 /nfs/dbraw/zinc/97/07/08/739970708.db2.gz FRROPYLTTWBYPJ-UHFFFAOYSA-N 2 0 360.571 3.248 20 30 FGEDRP N#Cc1cc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cs1 ZINC000921700763 758772771 /nfs/dbraw/zinc/77/27/71/758772771.db2.gz UYLAIOHYIKLRQM-FQEVSTJZSA-N 2 0 355.507 3.155 20 30 FGEDRP FC1(F)[C@H]2CN(CCC[NH2+]C3CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531437 759142947 /nfs/dbraw/zinc/14/29/47/759142947.db2.gz QAWMRKRKGYKDIK-AOOOYVTPSA-N 2 0 366.296 3.231 20 30 FGEDRP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000579790867 505621529 /nfs/dbraw/zinc/62/15/29/505621529.db2.gz FFOYCTREMNEFOQ-UHFFFAOYSA-N 2 0 369.553 3.399 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000072718211 494239196 /nfs/dbraw/zinc/23/91/96/494239196.db2.gz SDNVFOIGEHTCHF-INIZCTEOSA-N 2 0 374.916 3.348 20 30 FGEDRP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1 ZINC000067453129 494544221 /nfs/dbraw/zinc/54/42/21/494544221.db2.gz REASGIBRKPVTAH-OALUTQOASA-N 2 0 358.530 3.015 20 30 FGEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000112658080 495218919 /nfs/dbraw/zinc/21/89/19/495218919.db2.gz YFOBCVUEOIUVHE-LJQANCHMSA-N 2 0 368.525 3.331 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194822 495900027 /nfs/dbraw/zinc/90/00/27/495900027.db2.gz JCKLUZZFLPFKDQ-OXQOHEQNSA-N 2 0 351.498 3.121 20 30 FGEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000186903877 496203715 /nfs/dbraw/zinc/20/37/15/496203715.db2.gz KTQBASFOCHVKEF-KRWDZBQOSA-N 2 0 370.541 3.035 20 30 FGEDRP N#CCC[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000574684967 505831095 /nfs/dbraw/zinc/83/10/95/505831095.db2.gz XREBSQFHSKMJTA-UHFFFAOYSA-N 2 0 354.420 3.111 20 30 FGEDRP N#CCCn1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2ccccc2)n1 ZINC000278483310 497130608 /nfs/dbraw/zinc/13/06/08/497130608.db2.gz JTLGKUFFNCLVBR-UHFFFAOYSA-N 2 0 363.509 3.428 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)N(C)CCC#N ZINC000246541055 497767944 /nfs/dbraw/zinc/76/79/44/497767944.db2.gz IASDKRWVTKEUID-GUDVDZBRSA-N 2 0 370.541 3.015 20 30 FGEDRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000330218608 498066666 /nfs/dbraw/zinc/06/66/66/498066666.db2.gz JNGOVDUUERXJIV-UHFFFAOYSA-N 2 0 357.498 3.106 20 30 FGEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000286232922 498332905 /nfs/dbraw/zinc/33/29/05/498332905.db2.gz SYEJXVKAXOOLSU-KDURUIRLSA-N 2 0 370.541 3.006 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000369340926 499393136 /nfs/dbraw/zinc/39/31/36/499393136.db2.gz BFJCEVKJQXHHEI-COPCDDAFSA-N 2 0 371.525 3.348 20 30 FGEDRP N#Cc1ccc(OCC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000380637161 499544190 /nfs/dbraw/zinc/54/41/90/499544190.db2.gz JMCFDBSAAXIVCD-VXKWHMMOSA-N 2 0 361.489 3.391 20 30 FGEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422976175 500326276 /nfs/dbraw/zinc/32/62/76/500326276.db2.gz HXJMBYZAGVLLTJ-SCWSEQNSSA-N 2 0 366.484 3.214 20 30 FGEDRP CC[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000447533726 500618377 /nfs/dbraw/zinc/61/83/77/500618377.db2.gz YUALZNASHXQYSD-QFIPXVFZSA-N 2 0 363.509 3.206 20 30 FGEDRP N#Cc1c(Cl)cccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000450295050 501227960 /nfs/dbraw/zinc/22/79/60/501227960.db2.gz UQLFXOSQQXWADZ-UHFFFAOYSA-N 2 0 355.873 3.231 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000481673307 501845437 /nfs/dbraw/zinc/84/54/37/501845437.db2.gz CSXPPOGPFHCOOD-XMSQKQJNSA-N 2 0 353.510 3.416 20 30 FGEDRP C=CCc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc(OC)c1O ZINC000512449741 503555059 /nfs/dbraw/zinc/55/50/59/503555059.db2.gz KOGYEQRFHBRABB-UHFFFAOYSA-N 2 0 374.525 3.064 20 30 FGEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228366 504078019 /nfs/dbraw/zinc/07/80/19/504078019.db2.gz LYZDSBCPJKGNQG-UHFFFAOYSA-N 2 0 369.553 3.399 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000566973942 505328514 /nfs/dbraw/zinc/32/85/14/505328514.db2.gz QZDDYIBSZCKNNN-NEPJUHHUSA-N 2 0 357.292 3.238 20 30 FGEDRP N#CCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000590777774 506948523 /nfs/dbraw/zinc/94/85/23/506948523.db2.gz FGTXJRWLVPSCKM-BHDDXSALSA-N 2 0 352.526 3.007 20 30 FGEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000594440996 507135085 /nfs/dbraw/zinc/13/50/85/507135085.db2.gz KMRAVMFDYVGKDR-ROUUACIJSA-N 2 0 362.905 3.004 20 30 FGEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000594440885 507135382 /nfs/dbraw/zinc/13/53/82/507135382.db2.gz IXBBTELOOZLJHM-YZGWKJHDSA-N 2 0 356.514 3.082 20 30 FGEDRP CC(C)OC(=O)C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000594625234 507215729 /nfs/dbraw/zinc/21/57/29/507215729.db2.gz SXPSOYPDCDESPW-NRFANRHFSA-N 2 0 371.525 3.479 20 30 FGEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000591478059 507266092 /nfs/dbraw/zinc/26/60/92/507266092.db2.gz YUOKBXJFJJNUQZ-UHFFFAOYSA-N 2 0 368.569 3.480 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000595065407 507374803 /nfs/dbraw/zinc/37/48/03/507374803.db2.gz AYEIYWDTNSSZRQ-YWZLYKJASA-N 2 0 353.441 3.115 20 30 FGEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1cccs1 ZINC000304780613 713791760 /nfs/dbraw/zinc/79/17/60/713791760.db2.gz FZKCBSAJBZTJQN-MJGOQNOKSA-N 2 0 356.539 3.278 20 30 FGEDRP N#Cc1csc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898520207 742804454 /nfs/dbraw/zinc/80/44/54/742804454.db2.gz VUKSXGBRWMOHNW-SQNIBIBYSA-N 2 0 352.507 3.405 20 30 FGEDRP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998005048 765091030 /nfs/dbraw/zinc/09/10/30/765091030.db2.gz FCSKXWDEINLQEN-FGTMMUONSA-N 2 0 355.954 3.172 20 30 FGEDRP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998005051 765091078 /nfs/dbraw/zinc/09/10/78/765091078.db2.gz FCSKXWDEINLQEN-OKZBNKHCSA-N 2 0 355.954 3.172 20 30 FGEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821555 494764079 /nfs/dbraw/zinc/76/40/79/494764079.db2.gz VNDDOHJYFOQQJR-IBGZPJMESA-N 2 0 372.557 3.433 20 30 FGEDRP C[NH+](C)CC(C)(C)CNC(=S)C(C(=O)c1ccccc1)[n+]1ccccc1 ZINC000170715491 495578472 /nfs/dbraw/zinc/57/84/72/495578472.db2.gz CKXYXRMJALLGDR-UHFFFAOYSA-O 2 0 370.542 3.090 20 30 FGEDRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000182789143 495703790 /nfs/dbraw/zinc/70/37/90/495703790.db2.gz QDKQOPMOTKKVMJ-UHFFFAOYSA-N 2 0 362.562 3.163 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162583874 496377184 /nfs/dbraw/zinc/37/71/84/496377184.db2.gz RRDKJGXSCLCXEN-QGZVFWFLSA-N 2 0 351.922 3.106 20 30 FGEDRP CN(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181402768 496379974 /nfs/dbraw/zinc/37/99/74/496379974.db2.gz HDTZIUJYDIZDMW-FQEVSTJZSA-N 2 0 368.550 3.477 20 30 FGEDRP CC[C@H]1CCCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181744908 496527400 /nfs/dbraw/zinc/52/74/00/496527400.db2.gz QPARKVKJRLSUPL-QFIPXVFZSA-N 2 0 354.542 3.377 20 30 FGEDRP CC[NH+]1CCC(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181823138 496560301 /nfs/dbraw/zinc/56/03/01/496560301.db2.gz QFACGJUKLCMCFU-UHFFFAOYSA-N 2 0 354.542 3.234 20 30 FGEDRP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000182028854 496640522 /nfs/dbraw/zinc/64/05/22/496640522.db2.gz GPSRSQCJEWNLDV-CZAAIQMYSA-N 2 0 357.498 3.007 20 30 FGEDRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181993 496968854 /nfs/dbraw/zinc/96/88/54/496968854.db2.gz WOCYWQAONHIQKI-VQIMIIECSA-N 2 0 374.916 3.003 20 30 FGEDRP CN(CCC#N)c1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)cc1 ZINC000194060559 497560699 /nfs/dbraw/zinc/56/06/99/497560699.db2.gz NGVIEVPMJSLRAU-UHFFFAOYSA-N 2 0 363.509 3.186 20 30 FGEDRP C[C@H](C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000569632803 505980409 /nfs/dbraw/zinc/98/04/09/505980409.db2.gz MOVALISUIDEOPZ-IYBDPMFKSA-N 2 0 362.568 3.374 20 30 FGEDRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517828 499750416 /nfs/dbraw/zinc/75/04/16/499750416.db2.gz NQYUAPZEONNAQV-FUHWJXTLSA-N 2 0 354.498 3.129 20 30 FGEDRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000414309413 499776410 /nfs/dbraw/zinc/77/64/10/499776410.db2.gz RHOKUYVVUGDKKN-KRWDZBQOSA-N 2 0 367.468 3.375 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH3+])cc1OCC ZINC000414879218 499840762 /nfs/dbraw/zinc/84/07/62/499840762.db2.gz HPVKDDOUCJJMNI-LBPRGKRZSA-N 2 0 357.292 3.097 20 30 FGEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055283 500336322 /nfs/dbraw/zinc/33/63/22/500336322.db2.gz DASSQJRUSAQPJV-HSZSURFESA-N 2 0 364.493 3.191 20 30 FGEDRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C[C@H]1C ZINC000442827192 500631951 /nfs/dbraw/zinc/63/19/51/500631951.db2.gz KWKGMDIGDLMYOJ-IZZBFERCSA-N 2 0 355.526 3.478 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000442969533 500655395 /nfs/dbraw/zinc/65/53/95/500655395.db2.gz SUDHXCXTBZAPER-NFBKMPQASA-N 2 0 367.537 3.055 20 30 FGEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000435739948 501021039 /nfs/dbraw/zinc/02/10/39/501021039.db2.gz ZGOCDDYWSKSHJI-CJNGLKHVSA-N 2 0 364.287 3.476 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)C(C)C ZINC000455571070 501337363 /nfs/dbraw/zinc/33/73/63/501337363.db2.gz YEXKWRJOZYAVEE-HXUWFJFHSA-N 2 0 362.562 3.001 20 30 FGEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481924575 501920375 /nfs/dbraw/zinc/92/03/75/501920375.db2.gz PBJALGLXKRKJIU-PGRDOPGGSA-N 2 0 354.542 3.189 20 30 FGEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071109 502927790 /nfs/dbraw/zinc/92/77/90/502927790.db2.gz UYCTZCDOGHKKEP-GOSISDBHSA-N 2 0 358.530 3.043 20 30 FGEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000532949943 503671500 /nfs/dbraw/zinc/67/15/00/503671500.db2.gz ORJCOMUWUOKWOE-LJQANCHMSA-N 2 0 370.541 3.374 20 30 FGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)CC2 ZINC000564459231 505425844 /nfs/dbraw/zinc/42/58/44/505425844.db2.gz REUOTUQHKZVQBY-HSZRJFAPSA-N 2 0 361.489 3.292 20 30 FGEDRP [NH2+]=C(NCc1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261978250 713716669 /nfs/dbraw/zinc/71/66/69/713716669.db2.gz GVYLSOMANRTQOL-UHFFFAOYSA-N 2 0 362.930 3.470 20 30 FGEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1cccs1 ZINC000304780611 713791873 /nfs/dbraw/zinc/79/18/73/713791873.db2.gz FZKCBSAJBZTJQN-IEBWSBKVSA-N 2 0 356.539 3.278 20 30 FGEDRP C=CCN1CCC([NH2+][C@@H](CC)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000834571422 729815318 /nfs/dbraw/zinc/81/53/18/729815318.db2.gz SVVUXKCRZGCZGP-ZWKOTPCHSA-N 2 0 351.535 3.405 20 30 FGEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)cc1 ZINC000859214137 732290902 /nfs/dbraw/zinc/29/09/02/732290902.db2.gz MHYDPZAGAICIBJ-UHFFFAOYSA-N 2 0 356.495 3.142 20 30 FGEDRP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587198 494677442 /nfs/dbraw/zinc/67/74/42/494677442.db2.gz VZFCSAZSKVYQRM-GBESFXJTSA-N 2 0 371.525 3.299 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462872 495365119 /nfs/dbraw/zinc/36/51/19/495365119.db2.gz LDBXZERIYXRQPE-INIZCTEOSA-N 2 0 352.457 3.300 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000106330422 495445726 /nfs/dbraw/zinc/44/57/26/495445726.db2.gz AUXZXWIGLCVSON-LJQANCHMSA-N 2 0 352.567 3.083 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000106330327 495445978 /nfs/dbraw/zinc/44/59/78/495445978.db2.gz IUMWWKSKPZDBSE-HXUWFJFHSA-N 2 0 364.578 3.227 20 30 FGEDRP N#Cc1csc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000177686939 496160685 /nfs/dbraw/zinc/16/06/85/496160685.db2.gz LDASGHYOHNZUNW-UHFFFAOYSA-N 2 0 368.550 3.307 20 30 FGEDRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181567784 496448967 /nfs/dbraw/zinc/44/89/67/496448967.db2.gz JVJVHDQOHDHRQR-RTBURBONSA-N 2 0 354.542 3.233 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441866 497408130 /nfs/dbraw/zinc/40/81/30/497408130.db2.gz VUMDUAWQDZQLGU-YOEHRIQHSA-N 2 0 374.554 3.099 20 30 FGEDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000569483642 505945889 /nfs/dbraw/zinc/94/58/89/505945889.db2.gz APMZYKOUTZPWNS-UHFFFAOYSA-N 2 0 368.912 3.448 20 30 FGEDRP C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000369908115 499149963 /nfs/dbraw/zinc/14/99/63/499149963.db2.gz JLSSEDGSQAJLQF-GOSISDBHSA-N 2 0 354.542 3.088 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000370654806 499240557 /nfs/dbraw/zinc/24/05/57/499240557.db2.gz XHWKHSKBMZIOPS-QMMLZNLJSA-N 2 0 373.566 3.270 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3ccnc3C(C)C)C2)CC1 ZINC000377775975 499731977 /nfs/dbraw/zinc/73/19/77/499731977.db2.gz FMOZATBKIJNNDS-GOSISDBHSA-N 2 0 359.518 3.003 20 30 FGEDRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517825 499750614 /nfs/dbraw/zinc/75/06/14/499750614.db2.gz NQYUAPZEONNAQV-AEFFLSMTSA-N 2 0 354.498 3.129 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414838199 499836156 /nfs/dbraw/zinc/83/61/56/499836156.db2.gz VDUOSANMCWYKRG-ZDUSSCGKSA-N 2 0 369.303 3.112 20 30 FGEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443594238 500743166 /nfs/dbraw/zinc/74/31/66/500743166.db2.gz QSNIUYUJPYMNPL-SFHVURJKSA-N 2 0 368.525 3.473 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]C2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000449079407 500919363 /nfs/dbraw/zinc/91/93/63/500919363.db2.gz YPWZTTTVLAIQJZ-ATKRNPRHSA-N 2 0 354.542 3.427 20 30 FGEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1=O ZINC000493644204 503436834 /nfs/dbraw/zinc/43/68/34/503436834.db2.gz SEHDPEMOHDBWBV-WFXMLNOXSA-N 2 0 355.526 3.041 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000559271612 504815306 /nfs/dbraw/zinc/81/53/06/504815306.db2.gz FBYUFUGZEPTMID-KRWDZBQOSA-N 2 0 374.492 3.265 20 30 FGEDRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H]2CCC[C@H]21 ZINC000556893596 505008875 /nfs/dbraw/zinc/00/88/75/505008875.db2.gz VZKBVOFBZLEPIM-ZCFHBRKKSA-N 2 0 354.498 3.106 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000558788585 505492859 /nfs/dbraw/zinc/49/28/59/505492859.db2.gz VRGQDMUTWOPYJZ-BHDDXSALSA-N 2 0 353.510 3.293 20 30 FGEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593321358 506538244 /nfs/dbraw/zinc/53/82/44/506538244.db2.gz IQBWZHYUGPYRRD-FDDCHVKYSA-N 2 0 362.521 3.071 20 30 FGEDRP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167271 507393692 /nfs/dbraw/zinc/39/36/92/507393692.db2.gz GANDDHWEFOGLCM-NRFANRHFSA-N 2 0 354.542 3.090 20 30 FGEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598730340 507570621 /nfs/dbraw/zinc/57/06/21/507570621.db2.gz UCLFRRCICGNCMI-VQTJNVASSA-N 2 0 355.526 3.179 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(C(F)(F)F)c1 ZINC000595894753 507731963 /nfs/dbraw/zinc/73/19/63/507731963.db2.gz YZROQCBZTCUWDG-AEFFLSMTSA-N 2 0 367.415 3.295 20 30 FGEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000086506088 700371936 /nfs/dbraw/zinc/37/19/36/700371936.db2.gz MQLKDNSYSCNQRI-OAHLLOKOSA-N 2 0 363.575 3.076 20 30 FGEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000262683204 713728636 /nfs/dbraw/zinc/72/86/36/713728636.db2.gz XFTUBQOFJUJPEB-XPKDYRNWSA-N 2 0 354.420 3.026 20 30 FGEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)CC(C)C ZINC000303770217 713788081 /nfs/dbraw/zinc/78/80/81/713788081.db2.gz BQVBRQSDJPPCIJ-MRXNPFEDSA-N 2 0 350.507 3.187 20 30 FGEDRP [NH3+][C@@H]1CC[C@H](C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000923530578 759142054 /nfs/dbraw/zinc/14/20/54/759142054.db2.gz HCFNAJOAPUQLKX-JXUBOQSCSA-N 2 0 366.296 3.217 20 30 FGEDRP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001004442362 765433027 /nfs/dbraw/zinc/43/30/27/765433027.db2.gz LTBFBTXCZWLRBV-IPMKNSEASA-N 2 0 367.965 3.172 20 30 FGEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000069711241 494000830 /nfs/dbraw/zinc/00/08/30/494000830.db2.gz XVNDJPLKKZWFSH-UHFFFAOYSA-N 2 0 366.509 3.267 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000109025611 494822816 /nfs/dbraw/zinc/82/28/16/494822816.db2.gz HTAAWIYZRJMVDB-UHFFFAOYSA-N 2 0 362.543 3.392 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134920908 495223935 /nfs/dbraw/zinc/22/39/35/495223935.db2.gz MBXRCFWYIAAZMQ-CEMLEFRQSA-N 2 0 370.537 3.104 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[N@@H+](C)CCCC)CC2)CC1 ZINC000106341001 495446902 /nfs/dbraw/zinc/44/69/02/495446902.db2.gz VBKSUCPAQVRIQW-UHFFFAOYSA-N 2 0 364.578 3.180 20 30 FGEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000176950765 495854540 /nfs/dbraw/zinc/85/45/40/495854540.db2.gz GSWCSSWNTRJMPV-UHFFFAOYSA-N 2 0 368.550 3.307 20 30 FGEDRP C[NH+](CCOCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000178593861 496509377 /nfs/dbraw/zinc/50/93/77/496509377.db2.gz ABKDUIILYUQSLI-UHFFFAOYSA-N 2 0 362.477 3.010 20 30 FGEDRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181827227 496561072 /nfs/dbraw/zinc/56/10/72/496561072.db2.gz WXBSHIQBAFQZQJ-LJQANCHMSA-N 2 0 370.541 3.190 20 30 FGEDRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181920999 496600084 /nfs/dbraw/zinc/60/00/84/496600084.db2.gz XMERIBFMFVXOTJ-UHFFFAOYSA-N 2 0 354.542 3.375 20 30 FGEDRP CCN1CC[NH+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271093924 497262808 /nfs/dbraw/zinc/26/28/08/497262808.db2.gz XOJMIIKPXANGSL-UHFFFAOYSA-N 2 0 368.569 3.398 20 30 FGEDRP C[NH+]=C(NCc1coc(-c2ccc(C)cc2)n1)NC1CC[NH+](C(C)C)CC1 ZINC000262409899 497551425 /nfs/dbraw/zinc/55/14/25/497551425.db2.gz CZLSGOXEOUBOPB-UHFFFAOYSA-N 2 0 369.513 3.188 20 30 FGEDRP N#CCCn1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(-c2ccncc2)n1 ZINC000292988921 498224876 /nfs/dbraw/zinc/22/48/76/498224876.db2.gz MAXXMQUFXRLBFV-UHFFFAOYSA-N 2 0 366.513 3.214 20 30 FGEDRP N#Cc1cccc(OCC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940283 498763454 /nfs/dbraw/zinc/76/34/54/498763454.db2.gz PMQWZWFBWZPFIO-VXKWHMMOSA-N 2 0 361.489 3.391 20 30 FGEDRP N#Cc1ccc2ncc(C[NH2+]CC3CC[NH+](CCc4ccccc4)CC3)n2c1 ZINC000369479942 499407264 /nfs/dbraw/zinc/40/72/64/499407264.db2.gz HPIZMSZNKNOKJL-UHFFFAOYSA-N 2 0 373.504 3.250 20 30 FGEDRP C=CCOc1ccccc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415136335 499869380 /nfs/dbraw/zinc/86/93/80/499869380.db2.gz RRXYAYBPOGCFJD-UHFFFAOYSA-N 2 0 365.521 3.335 20 30 FGEDRP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340598 500445013 /nfs/dbraw/zinc/44/50/13/500445013.db2.gz MUVFPLYHFGXFJP-IAGOWNOFSA-N 2 0 359.539 3.225 20 30 FGEDRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424151028 500460656 /nfs/dbraw/zinc/46/06/56/500460656.db2.gz GXXDHPSBFQOJOO-HXUWFJFHSA-N 2 0 356.514 3.088 20 30 FGEDRP CC[N@@H+]1CCC[C@@H](CN(C)Cc2cccc(F)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000428432749 500509072 /nfs/dbraw/zinc/50/90/72/500509072.db2.gz QYRZRWGCCGEODY-LAUBAEHRSA-N 2 0 369.488 3.336 20 30 FGEDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccc(C#N)cc1 ZINC000447529366 500618215 /nfs/dbraw/zinc/61/82/15/500618215.db2.gz JZKLRDPMNUMFSN-NRFANRHFSA-N 2 0 363.509 3.336 20 30 FGEDRP Cc1cc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000443984798 500787531 /nfs/dbraw/zinc/78/75/31/500787531.db2.gz TUVFLNQYWXKFHX-UHFFFAOYSA-N 2 0 362.521 3.164 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000481673298 501845379 /nfs/dbraw/zinc/84/53/79/501845379.db2.gz CSXPPOGPFHCOOD-AVRDEDQJSA-N 2 0 353.510 3.416 20 30 FGEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481924571 501920442 /nfs/dbraw/zinc/92/04/42/501920442.db2.gz PBJALGLXKRKJIU-GCJKJVERSA-N 2 0 354.542 3.189 20 30 FGEDRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512618562 503596177 /nfs/dbraw/zinc/59/61/77/503596177.db2.gz IYGYONCZWZUYKT-SFHVURJKSA-N 2 0 366.484 3.166 20 30 FGEDRP C=CCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000530247944 503893016 /nfs/dbraw/zinc/89/30/16/503893016.db2.gz FBGATFOARVXMIZ-GOSISDBHSA-N 2 0 364.917 3.495 20 30 FGEDRP C=C[C@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000534694664 504216985 /nfs/dbraw/zinc/21/69/85/504216985.db2.gz DHXYVSWYDJNUAJ-CTNGQTDRSA-N 2 0 357.542 3.221 20 30 FGEDRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000558738707 505479155 /nfs/dbraw/zinc/47/91/55/505479155.db2.gz XTAIGZILAFTEEM-HDICACEKSA-N 2 0 362.477 3.448 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440524 507132559 /nfs/dbraw/zinc/13/25/59/507132559.db2.gz DWDLYFUOPKQPJM-FXAWDEMLSA-N 2 0 356.514 3.088 20 30 FGEDRP N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000594436602 507133414 /nfs/dbraw/zinc/13/34/14/507133414.db2.gz DPNTZMFAINDHSA-FQEVSTJZSA-N 2 0 356.514 3.090 20 30 FGEDRP N#CCCCOc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000594955939 507331490 /nfs/dbraw/zinc/33/14/90/507331490.db2.gz QFPJBJUHVOVDAI-UHFFFAOYSA-N 2 0 371.525 3.350 20 30 FGEDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000614178441 507397636 /nfs/dbraw/zinc/39/76/36/507397636.db2.gz CRVDUZGWJVPDTB-UHFFFAOYSA-N 2 0 368.569 3.478 20 30 FGEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896146 507732569 /nfs/dbraw/zinc/73/25/69/507732569.db2.gz HAVXCSMWPCRNSU-JQHSSLGASA-N 2 0 367.415 3.438 20 30 FGEDRP C[NH+](C)C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602550371 507746658 /nfs/dbraw/zinc/74/66/58/507746658.db2.gz BKDAPWAYPOKVNZ-HZPDHXFCSA-N 2 0 371.312 3.124 20 30 FGEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1cccs1 ZINC000304807239 713792201 /nfs/dbraw/zinc/79/22/01/713792201.db2.gz SXAOBNQQPIXDAV-PBHICJAKSA-N 2 0 362.568 3.340 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414909076 714005673 /nfs/dbraw/zinc/00/56/73/714005673.db2.gz BVZJGXWYWLPTKW-ZIAGYGMSSA-N 2 0 369.303 3.382 20 30 FGEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876891658 736158313 /nfs/dbraw/zinc/15/83/13/736158313.db2.gz APMNLGWHZRSHIN-RCBQFDQVSA-N 2 0 374.287 3.058 20 30 FGEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193972 739228210 /nfs/dbraw/zinc/22/82/10/739228210.db2.gz GLBCJKHUXYMTIY-MSOLQXFVSA-N 2 0 361.555 3.255 20 30 FGEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000901254070 743242752 /nfs/dbraw/zinc/24/27/52/743242752.db2.gz BBENRSQQFLIKEM-YJBOKZPZSA-N 2 0 367.896 3.096 20 30 FGEDRP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904411274 743953176 /nfs/dbraw/zinc/95/31/76/743953176.db2.gz TVOGYAHFZUSBKU-ZDUSSCGKSA-N 2 0 369.303 3.193 20 30 FGEDRP C=C(Cl)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001047243561 766632757 /nfs/dbraw/zinc/63/27/57/766632757.db2.gz ZGZKARPPLMCSOM-NZSAHSFTSA-N 2 0 367.965 3.030 20 30 FGEDRP COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694864 495683830 /nfs/dbraw/zinc/68/38/30/495683830.db2.gz LMLQPQVGJBTMRD-SJLPKXTDSA-N 2 0 357.498 3.188 20 30 FGEDRP C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719252 495695724 /nfs/dbraw/zinc/69/57/24/495695724.db2.gz FEUYMSYMMSCAMW-GDBMZVCRSA-N 2 0 360.527 3.191 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180171742 495890517 /nfs/dbraw/zinc/89/05/17/495890517.db2.gz DJWZRWAOBSWGPX-SFHVURJKSA-N 2 0 351.498 3.169 20 30 FGEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156038648 496140894 /nfs/dbraw/zinc/14/08/94/496140894.db2.gz SUXUEOMVPPOXQS-QHCPKHFHSA-N 2 0 363.505 3.436 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162583759 496377804 /nfs/dbraw/zinc/37/78/04/496377804.db2.gz RRDKJGXSCLCXEN-KRWDZBQOSA-N 2 0 351.922 3.106 20 30 FGEDRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000245912629 497569236 /nfs/dbraw/zinc/56/92/36/497569236.db2.gz PMIXGFBXBCWIJD-ZCNNSNEGSA-N 2 0 368.569 3.479 20 30 FGEDRP COc1ccc(C[NH2+]CCCNc2ccccn2)cc1OCCCC#N ZINC000267612602 497587466 /nfs/dbraw/zinc/58/74/66/497587466.db2.gz OFTPDVVONMGQOR-UHFFFAOYSA-N 2 0 354.454 3.365 20 30 FGEDRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000329789400 497901750 /nfs/dbraw/zinc/90/17/50/497901750.db2.gz BXQBAVJVKQGPTG-MOPGFXCFSA-N 2 0 371.529 3.045 20 30 FGEDRP N#CC1(CCC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CCOCC1 ZINC000297622007 498515409 /nfs/dbraw/zinc/51/54/09/498515409.db2.gz LKHMXKPVXRXCAG-UHFFFAOYSA-N 2 0 364.493 3.457 20 30 FGEDRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438359 499121947 /nfs/dbraw/zinc/12/19/47/499121947.db2.gz APWWJQIWNZUPME-SJORKVTESA-N 2 0 372.513 3.206 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)C2)c(F)c1 ZINC000579342534 506151860 /nfs/dbraw/zinc/15/18/60/506151860.db2.gz VRVBZXFYGWONFJ-BEVDRBHNSA-N 2 0 350.441 3.401 20 30 FGEDRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517831 499750540 /nfs/dbraw/zinc/75/05/40/499750540.db2.gz NQYUAPZEONNAQV-SJLPKXTDSA-N 2 0 354.498 3.129 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602728058 506275857 /nfs/dbraw/zinc/27/58/57/506275857.db2.gz HXQAODUIVLZCKH-SFHLNBCPSA-N 2 0 355.526 3.443 20 30 FGEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481924568 501920729 /nfs/dbraw/zinc/92/07/29/501920729.db2.gz PBJALGLXKRKJIU-AVRDEDQJSA-N 2 0 354.542 3.189 20 30 FGEDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000499951178 503519382 /nfs/dbraw/zinc/51/93/82/503519382.db2.gz RQRDYKRQWVFYSG-UHFFFAOYSA-N 2 0 374.554 3.245 20 30 FGEDRP C=CCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Cl ZINC000516815550 503592176 /nfs/dbraw/zinc/59/21/76/503592176.db2.gz VQQDWRNNEBSHOW-UHFFFAOYSA-N 2 0 365.949 3.363 20 30 FGEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000532588129 504703842 /nfs/dbraw/zinc/70/38/42/504703842.db2.gz VGNWZRBHFAFXHB-UHFFFAOYSA-N 2 0 366.484 3.389 20 30 FGEDRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000556108991 504798958 /nfs/dbraw/zinc/79/89/58/504798958.db2.gz DCLBIYQXBNNSDK-JOCHJYFZSA-N 2 0 354.542 3.329 20 30 FGEDRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000556893591 505009040 /nfs/dbraw/zinc/00/90/40/505009040.db2.gz VZKBVOFBZLEPIM-PWKSQPCKSA-N 2 0 354.498 3.106 20 30 FGEDRP CC[N@H+](CCC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000552787068 505554344 /nfs/dbraw/zinc/55/43/44/505554344.db2.gz NLWFSWDEMSCVGC-UHFFFAOYSA-N 2 0 368.525 3.331 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595894623 507731644 /nfs/dbraw/zinc/73/16/44/507731644.db2.gz XRWZIPCNKPBKKC-ROUUACIJSA-N 2 0 367.415 3.295 20 30 FGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000602535822 507739931 /nfs/dbraw/zinc/73/99/31/507739931.db2.gz UANSKKUXLAIBGU-PZJWPPBQSA-N 2 0 355.526 3.240 20 30 FGEDRP CC1CC[NH+](CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160622622 705257317 /nfs/dbraw/zinc/25/73/17/705257317.db2.gz AZLWPLUHBCAMIS-UHFFFAOYSA-N 2 0 358.408 3.434 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186597797 712723543 /nfs/dbraw/zinc/72/35/43/712723543.db2.gz ALZXJKULQHHOBE-QZTJIDSGSA-N 2 0 365.949 3.495 20 30 FGEDRP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000305240053 713792842 /nfs/dbraw/zinc/79/28/42/713792842.db2.gz QRBJBMKSFIRDAX-QWHCGFSZSA-N 2 0 358.408 3.432 20 30 FGEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305707894 713793357 /nfs/dbraw/zinc/79/33/57/713793357.db2.gz WNAMLIBEFFJXQI-WMLDXEAASA-N 2 0 354.901 3.422 20 30 FGEDRP C[NH+](C)CC1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000305829990 713793837 /nfs/dbraw/zinc/79/38/37/713793837.db2.gz SYUIWNVEGGPUBS-UHFFFAOYSA-N 2 0 358.408 3.434 20 30 FGEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@]1(C)CCCCO1 ZINC000902880091 743783433 /nfs/dbraw/zinc/78/34/33/743783433.db2.gz CLSCHJAQSIEJHA-MXEMCNAFSA-N 2 0 350.547 3.248 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127836736 495005132 /nfs/dbraw/zinc/00/51/32/495005132.db2.gz VOBRHDFCCNDRER-IAGOWNOFSA-N 2 0 351.922 3.104 20 30 FGEDRP C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462899 495365774 /nfs/dbraw/zinc/36/57/74/495365774.db2.gz SFCRDLOSGFHLCT-INIZCTEOSA-N 2 0 352.457 3.300 20 30 FGEDRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766635 495719050 /nfs/dbraw/zinc/71/90/50/495719050.db2.gz JHXXREMSGWJFMC-AEFFLSMTSA-N 2 0 354.498 3.129 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000177686165 496159058 /nfs/dbraw/zinc/15/90/58/496159058.db2.gz MGKXEMLVSDTEJE-UHFFFAOYSA-N 2 0 354.523 3.047 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000172185562 496200014 /nfs/dbraw/zinc/20/00/14/496200014.db2.gz AYESYVVFSNVFBQ-SFHVURJKSA-N 2 0 370.541 3.162 20 30 FGEDRP C[NH+](C)CCCCCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278559186 497153914 /nfs/dbraw/zinc/15/39/14/497153914.db2.gz CHSZUQHKMMEEDN-UHFFFAOYSA-N 2 0 368.529 3.460 20 30 FGEDRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271094909 497262773 /nfs/dbraw/zinc/26/27/73/497262773.db2.gz YEZXYFGWNWSXGG-UHFFFAOYSA-N 2 0 368.569 3.254 20 30 FGEDRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccncc2)c1C(F)F ZINC000330251449 498078844 /nfs/dbraw/zinc/07/88/44/498078844.db2.gz HQSWWRWKOYJAPF-HUUCEWRRSA-N 2 0 361.396 3.136 20 30 FGEDRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352005 498520905 /nfs/dbraw/zinc/52/09/05/498520905.db2.gz GCYAYOAXOLIICQ-RBUKOAKNSA-N 2 0 357.498 3.294 20 30 FGEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3nc(C#N)cs3)CC2)cc1 ZINC000579167299 506108463 /nfs/dbraw/zinc/10/84/63/506108463.db2.gz XGLAEAIBVUGZEB-UHFFFAOYSA-N 2 0 356.495 3.025 20 30 FGEDRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000328889085 498975765 /nfs/dbraw/zinc/97/57/65/498975765.db2.gz QOMSKTAIBMLOSO-QRQLOZEOSA-N 2 0 367.497 3.339 20 30 FGEDRP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCCN2CCc3ccccc3C2)O1 ZINC000373222024 499458249 /nfs/dbraw/zinc/45/82/49/499458249.db2.gz ANHLTZQCIWILHF-YSFYHYPLSA-N 2 0 353.510 3.264 20 30 FGEDRP CC(C)c1nccn1[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785271 499555475 /nfs/dbraw/zinc/55/54/75/499555475.db2.gz BCKJMWRBHFCVBO-MSOLQXFVSA-N 2 0 371.529 3.375 20 30 FGEDRP N#CC1(CCC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CCOCC1 ZINC000376593947 499621324 /nfs/dbraw/zinc/62/13/24/499621324.db2.gz BQVBGEXUPUXYKG-GOSISDBHSA-N 2 0 356.514 3.499 20 30 FGEDRP COc1cc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1C#N ZINC000414716408 499822462 /nfs/dbraw/zinc/82/24/62/499822462.db2.gz OPEUWYXAGOOEFS-HXUWFJFHSA-N 2 0 350.466 3.106 20 30 FGEDRP C=CCOc1cccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415138373 499868998 /nfs/dbraw/zinc/86/89/98/499868998.db2.gz UYWFXCWLIMWQNZ-UHFFFAOYSA-N 2 0 365.521 3.335 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)C(C)C ZINC000448462149 500761742 /nfs/dbraw/zinc/76/17/42/500761742.db2.gz QXCCCJHOYNKWAE-VAMGGRTRSA-N 2 0 364.578 3.057 20 30 FGEDRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229932 500820667 /nfs/dbraw/zinc/82/06/67/500820667.db2.gz XVLXKYCXKLHKQP-JKSUJKDBSA-N 2 0 360.527 3.045 20 30 FGEDRP CN(c1ccccc1C[NH2+]CCc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000466424221 502567950 /nfs/dbraw/zinc/56/79/50/502567950.db2.gz CRJZWAIVIFHPOZ-UHFFFAOYSA-N 2 0 362.521 3.421 20 30 FGEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511842359 503399100 /nfs/dbraw/zinc/39/91/00/503399100.db2.gz JYPMEJAIGFIHDX-HXUWFJFHSA-N 2 0 362.521 3.369 20 30 FGEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000515893417 503416962 /nfs/dbraw/zinc/41/69/62/503416962.db2.gz BSCFRMGGDSMGOQ-SFHVURJKSA-N 2 0 351.498 3.284 20 30 FGEDRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000539498262 504590569 /nfs/dbraw/zinc/59/05/69/504590569.db2.gz AXZIMHZLXPUCRL-HXUWFJFHSA-N 2 0 362.521 3.417 20 30 FGEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000565710333 504965675 /nfs/dbraw/zinc/96/56/75/504965675.db2.gz GXGWUYONXWXURK-DNVJHFABSA-N 2 0 361.489 3.472 20 30 FGEDRP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000594438200 507133165 /nfs/dbraw/zinc/13/31/65/507133165.db2.gz NDWXLQTVCQVNPK-FQEVSTJZSA-N 2 0 356.514 3.090 20 30 FGEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)CC1 ZINC000611255172 507583620 /nfs/dbraw/zinc/58/36/20/507583620.db2.gz VDCOJZPTXNCPJB-WQMHRJNTSA-N 2 0 366.553 3.149 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](CC)CC)CC(C)C)CC1 ZINC000592351863 507614176 /nfs/dbraw/zinc/61/41/76/507614176.db2.gz GBGRVJKCZKGXRP-UHFFFAOYSA-N 2 0 352.567 3.036 20 30 FGEDRP C[C@H]([NH2+]CCOCC[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611388481 507656849 /nfs/dbraw/zinc/65/68/49/507656849.db2.gz INUXKJHFNJIXEU-ROUUACIJSA-N 2 0 362.477 3.448 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121081381 700665420 /nfs/dbraw/zinc/66/54/20/700665420.db2.gz UXSFXLFTLJQHST-WMZOPIPTSA-N 2 0 365.949 3.352 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000262551911 713727337 /nfs/dbraw/zinc/72/73/37/713727337.db2.gz YQXOICARYKUTMG-UHFFFAOYSA-N 2 0 362.543 3.174 20 30 FGEDRP CC(C)[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000303789747 713788366 /nfs/dbraw/zinc/78/83/66/713788366.db2.gz VRMZTVBFRKYXFF-OAHLLOKOSA-N 2 0 358.408 3.432 20 30 FGEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303988907 713791000 /nfs/dbraw/zinc/79/10/00/713791000.db2.gz WYJXEYSWHRKFOI-GXTWGEPZSA-N 2 0 373.328 3.070 20 30 FGEDRP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000623356355 715317414 /nfs/dbraw/zinc/31/74/14/715317414.db2.gz KWLANJPWVMSVHX-CQSZACIVSA-N 2 0 350.890 3.487 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000799725026 724087950 /nfs/dbraw/zinc/08/79/50/724087950.db2.gz CHPKBAIDSDDRMY-KRWDZBQOSA-N 2 0 365.949 3.495 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965524 494293246 /nfs/dbraw/zinc/29/32/46/494293246.db2.gz PCHHCWLOOYZZFX-UYAOXDASSA-N 2 0 368.525 3.473 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000106034057 495405045 /nfs/dbraw/zinc/40/50/45/495405045.db2.gz ZAYOJUPYFSPBEL-HXUWFJFHSA-N 2 0 355.526 3.055 20 30 FGEDRP COc1ccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cc1C#N ZINC000174345910 495921730 /nfs/dbraw/zinc/92/17/30/495921730.db2.gz GCDXAPMXKCCYKR-UHFFFAOYSA-N 2 0 353.466 3.187 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000155888782 496098758 /nfs/dbraw/zinc/09/87/58/496098758.db2.gz SXIMNRULDRTPDZ-KDURUIRLSA-N 2 0 358.501 3.389 20 30 FGEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000237165707 497199002 /nfs/dbraw/zinc/19/90/02/497199002.db2.gz IYTUUJGRPOPGOD-UHFFFAOYSA-N 2 0 370.541 3.017 20 30 FGEDRP COc1cccc(NC(=[NH2+])NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000303863619 498723331 /nfs/dbraw/zinc/72/33/31/498723331.db2.gz AHVYJFHNIMLVOG-UHFFFAOYSA-N 2 0 358.511 3.396 20 30 FGEDRP CC(C)(CCC#N)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367674812 499224007 /nfs/dbraw/zinc/22/40/07/499224007.db2.gz WHNACLMQXDDNRL-NRFANRHFSA-N 2 0 354.542 3.208 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000371150552 499293816 /nfs/dbraw/zinc/29/38/16/499293816.db2.gz GCFOJNFOVLGFGK-UHFFFAOYSA-N 2 0 354.542 3.186 20 30 FGEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422980673 500326639 /nfs/dbraw/zinc/32/66/39/500326639.db2.gz QKXDVAXLDFJRFG-YJBOKZPZSA-N 2 0 367.472 3.179 20 30 FGEDRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000423138532 500347044 /nfs/dbraw/zinc/34/70/44/500347044.db2.gz XUMONXXTQNFPAO-IEBWSBKVSA-N 2 0 357.498 3.333 20 30 FGEDRP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340599 500444883 /nfs/dbraw/zinc/44/48/83/500444883.db2.gz MUVFPLYHFGXFJP-IRXDYDNUSA-N 2 0 359.539 3.225 20 30 FGEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000420974003 500545715 /nfs/dbraw/zinc/54/57/15/500545715.db2.gz DBDXYBBGFALPOB-UHFFFAOYSA-N 2 0 368.569 3.480 20 30 FGEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000480966010 502715397 /nfs/dbraw/zinc/71/53/97/502715397.db2.gz CGTCMCXMSCLMGX-LJQANCHMSA-N 2 0 370.541 3.212 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000503222210 503370249 /nfs/dbraw/zinc/37/02/49/503370249.db2.gz LAYATRKSIKAISN-IRXDYDNUSA-N 2 0 362.543 3.439 20 30 FGEDRP CN1CC[NH+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000535784783 504543407 /nfs/dbraw/zinc/54/34/07/504543407.db2.gz JEYBBZVBGNSZFM-UHFFFAOYSA-N 2 0 354.542 3.008 20 30 FGEDRP COCC[C@H]1CCCC[NH+](CC#CC[N@H+]2CCCC[C@H](CCOC)C2)C1 ZINC000551395928 505217155 /nfs/dbraw/zinc/21/71/55/505217155.db2.gz WTKMKHIGXHYACE-FGZHOGPDSA-N 2 0 364.574 3.267 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000567149954 505378054 /nfs/dbraw/zinc/37/80/54/505378054.db2.gz GXRHFNVZKYHRRL-UYAOXDASSA-N 2 0 364.578 3.057 20 30 FGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000593323985 506541970 /nfs/dbraw/zinc/54/19/70/506541970.db2.gz WRMKNVFREYYWFT-YPAWHYETSA-N 2 0 352.526 3.033 20 30 FGEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000594445345 507137795 /nfs/dbraw/zinc/13/77/95/507137795.db2.gz DGLKHZMJFLUHKD-ROUUACIJSA-N 2 0 362.905 3.004 20 30 FGEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000594452823 507140227 /nfs/dbraw/zinc/14/02/27/507140227.db2.gz JXXOQQKQNQLYMC-SFHVURJKSA-N 2 0 360.527 3.224 20 30 FGEDRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000584832444 507530838 /nfs/dbraw/zinc/53/08/38/507530838.db2.gz XNDUNJDCDJDIAA-NRFANRHFSA-N 2 0 364.493 3.451 20 30 FGEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000262683202 713728724 /nfs/dbraw/zinc/72/87/24/713728724.db2.gz XFTUBQOFJUJPEB-XNRPHZJLSA-N 2 0 354.420 3.026 20 30 FGEDRP C#CCOc1ccc(Br)cc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000319011560 713809504 /nfs/dbraw/zinc/80/95/04/713809504.db2.gz BMCQRWRHGVZWRZ-UHFFFAOYSA-N 2 0 365.315 3.283 20 30 FGEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553251 732038063 /nfs/dbraw/zinc/03/80/63/732038063.db2.gz LLVDYVNGYYUTTK-GOSISDBHSA-N 2 0 356.495 3.120 20 30 FGEDRP N#Cc1ccccc1N1CCC([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873218067 735739267 /nfs/dbraw/zinc/73/92/67/735739267.db2.gz XZTNGOKWXBYJBW-UHFFFAOYSA-N 2 0 352.507 3.024 20 30 FGEDRP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904411273 743953131 /nfs/dbraw/zinc/95/31/31/743953131.db2.gz TVOGYAHFZUSBKU-CYBMUJFWSA-N 2 0 369.303 3.193 20 30 FGEDRP FC1(F)[C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529280 759142547 /nfs/dbraw/zinc/14/25/47/759142547.db2.gz BRRXLSYTQOUHOC-LPEHRKFASA-N 2 0 366.296 3.089 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000570792785 505581797 /nfs/dbraw/zinc/58/17/97/505581797.db2.gz SRLFSQFCNRVLEN-QETWGEEDSA-N 2 0 352.526 3.132 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000154652260 495684599 /nfs/dbraw/zinc/68/45/99/495684599.db2.gz NOBHYHIDMMJHKN-UHFFFAOYSA-N 2 0 374.529 3.097 20 30 FGEDRP CN(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181399009 496378059 /nfs/dbraw/zinc/37/80/59/496378059.db2.gz BVAOBZMMWJIYSD-HXUWFJFHSA-N 2 0 352.482 3.008 20 30 FGEDRP CC(C)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000181461762 496406463 /nfs/dbraw/zinc/40/64/63/496406463.db2.gz MSQPUKHNYLRRDD-JOCHJYFZSA-N 2 0 354.542 3.233 20 30 FGEDRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000181626959 496476837 /nfs/dbraw/zinc/47/68/37/496476837.db2.gz DYFFUKFFBMHSRC-KRWDZBQOSA-N 2 0 353.466 3.380 20 30 FGEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCSCC#N)CC1 ZINC000181643740 496483745 /nfs/dbraw/zinc/48/37/45/496483745.db2.gz OQFJIFXNWATOJN-INIZCTEOSA-N 2 0 364.534 3.265 20 30 FGEDRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278771300 497215054 /nfs/dbraw/zinc/21/50/54/497215054.db2.gz PGSJNKAEPGXPSD-OAQYLSRUSA-N 2 0 364.493 3.091 20 30 FGEDRP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCCCC#N ZINC000246785623 497810909 /nfs/dbraw/zinc/81/09/09/497810909.db2.gz QIYSXMCIXAVHNP-RBUKOAKNSA-N 2 0 357.498 3.294 20 30 FGEDRP COc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OCCCC#N ZINC000297545059 498488081 /nfs/dbraw/zinc/48/80/81/498488081.db2.gz PBUNLCXINYQOJK-UHFFFAOYSA-N 2 0 350.422 3.315 20 30 FGEDRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000283980518 499024153 /nfs/dbraw/zinc/02/41/53/499024153.db2.gz LMUSUYQQVQNHKU-UHFFFAOYSA-N 2 0 353.441 3.460 20 30 FGEDRP C[N@H+](CCCSCC#N)[C@@H]1CCC[NH+](CCCSCC#N)CC1 ZINC000372887382 499189813 /nfs/dbraw/zinc/18/98/13/499189813.db2.gz ZJFWYPWITYTLIY-QGZVFWFLSA-N 2 0 354.589 3.066 20 30 FGEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC ZINC000367611354 499217366 /nfs/dbraw/zinc/21/73/66/499217366.db2.gz BUWTXQTYKAADTF-MKXGPGLRSA-N 2 0 357.498 3.339 20 30 FGEDRP C[N@H+](C[C@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2)C1CC1 ZINC000371320898 499309986 /nfs/dbraw/zinc/30/99/86/499309986.db2.gz KLWGSCLXYOONCJ-GOSISDBHSA-N 2 0 366.509 3.083 20 30 FGEDRP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCCN2CCc3ccccc3C2)O1 ZINC000373222019 499458291 /nfs/dbraw/zinc/45/82/91/499458291.db2.gz ANHLTZQCIWILHF-CZYKHXBRSA-N 2 0 353.510 3.264 20 30 FGEDRP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCCN2CCc3ccccc3C2)O1 ZINC000373222026 499458330 /nfs/dbraw/zinc/45/83/30/499458330.db2.gz ANHLTZQCIWILHF-YUMYIRISSA-N 2 0 353.510 3.264 20 30 FGEDRP N#Cc1ccc(OCC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000380637162 499544083 /nfs/dbraw/zinc/54/40/83/499544083.db2.gz JMCFDBSAAXIVCD-YADHBBJMSA-N 2 0 361.489 3.391 20 30 FGEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433328652 500673295 /nfs/dbraw/zinc/67/32/95/500673295.db2.gz AWNHDSFUGIPHCL-UHFFFAOYSA-N 2 0 374.492 3.210 20 30 FGEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000435727682 501018694 /nfs/dbraw/zinc/01/86/94/501018694.db2.gz DRWVAAJPNYFQHM-IRLDBZIGSA-N 2 0 357.542 3.289 20 30 FGEDRP C=C[C@H]1CCCCN1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000489441235 502959140 /nfs/dbraw/zinc/95/91/40/502959140.db2.gz QPLCVNZPKQETIK-NRFANRHFSA-N 2 0 355.526 3.070 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000543207915 503681151 /nfs/dbraw/zinc/68/11/51/503681151.db2.gz WDRYLNMVTMJFFZ-KDURUIRLSA-N 2 0 355.526 3.464 20 30 FGEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000540910766 503934983 /nfs/dbraw/zinc/93/49/83/503934983.db2.gz BPKFRGFYUSUXJS-NRFANRHFSA-N 2 0 368.525 3.106 20 30 FGEDRP C[N@H+](CCN1CC[NH+](Cc2ccc(CC#N)cc2)CC1)Cc1ccccc1 ZINC000544144907 504026641 /nfs/dbraw/zinc/02/66/41/504026641.db2.gz FSSPZWRSUGOWKQ-UHFFFAOYSA-N 2 0 362.521 3.002 20 30 FGEDRP C=CCc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1O ZINC000530723025 504065271 /nfs/dbraw/zinc/06/52/71/504065271.db2.gz JSUPBZKMWQLFPB-IAGOWNOFSA-N 2 0 362.514 3.108 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560532371 505117568 /nfs/dbraw/zinc/11/75/68/505117568.db2.gz YXVNRJKRFGOZRX-RTBURBONSA-N 2 0 354.542 3.485 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000567149951 505377997 /nfs/dbraw/zinc/37/79/97/505377997.db2.gz GXRHFNVZKYHRRL-AZUAARDMSA-N 2 0 364.578 3.057 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440526 507133088 /nfs/dbraw/zinc/13/30/88/507133088.db2.gz DWDLYFUOPKQPJM-XLIONFOSSA-N 2 0 356.514 3.088 20 30 FGEDRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000594499014 507155466 /nfs/dbraw/zinc/15/54/66/507155466.db2.gz APSBSUABQIADGS-UHFFFAOYSA-N 2 0 352.482 3.113 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1 ZINC000154439896 705035035 /nfs/dbraw/zinc/03/50/35/705035035.db2.gz ZNQDESYMTGHGNZ-GOSISDBHSA-N 2 0 365.949 3.496 20 30 FGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)N(C)Cc1ccco1 ZINC000246989909 713634040 /nfs/dbraw/zinc/63/40/40/713634040.db2.gz GNPDAZMVVWASJC-MAUKXSAKSA-N 2 0 360.527 3.431 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414909067 714005486 /nfs/dbraw/zinc/00/54/86/714005486.db2.gz BVZJGXWYWLPTKW-KBPBESRZSA-N 2 0 369.303 3.382 20 30 FGEDRP C=CC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662664193 720451117 /nfs/dbraw/zinc/45/11/17/720451117.db2.gz UFIWHEWAYQJSAJ-PXNSSMCTSA-N 2 0 361.555 3.336 20 30 FGEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121845830 494873944 /nfs/dbraw/zinc/87/39/44/494873944.db2.gz GZCQHDMTHLXPCX-WIYYLYMNSA-N 2 0 362.562 3.017 20 30 FGEDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000118834625 495044909 /nfs/dbraw/zinc/04/49/09/495044909.db2.gz NFNZLMZNCVBCPU-QHCPKHFHSA-N 2 0 374.532 3.437 20 30 FGEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113326809 495296287 /nfs/dbraw/zinc/29/62/87/495296287.db2.gz IMSVBAHUJKXXOU-SFHVURJKSA-N 2 0 351.498 3.285 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000106327360 495445284 /nfs/dbraw/zinc/44/52/84/495445284.db2.gz UXFRBJYRNKZMMT-NRFANRHFSA-N 2 0 370.541 3.163 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000173781936 495690356 /nfs/dbraw/zinc/69/03/56/495690356.db2.gz DVZLZNSAOFDXBY-HNNXBMFYSA-N 2 0 362.905 3.204 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539236 496036800 /nfs/dbraw/zinc/03/68/00/496036800.db2.gz ZYXZCEKFQMENIS-LVCYWYKZSA-N 2 0 359.514 3.377 20 30 FGEDRP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000181502475 496421830 /nfs/dbraw/zinc/42/18/30/496421830.db2.gz MMEFPAZRCGBGNN-OALUTQOASA-N 2 0 354.542 3.233 20 30 FGEDRP CCCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181622546 496474429 /nfs/dbraw/zinc/47/44/29/496474429.db2.gz MPEHZGLVLZAPKY-UHFFFAOYSA-N 2 0 354.542 3.377 20 30 FGEDRP CC[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181744890 496525648 /nfs/dbraw/zinc/52/56/48/496525648.db2.gz QPARKVKJRLSUPL-JOCHJYFZSA-N 2 0 354.542 3.377 20 30 FGEDRP CN1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000181828779 496562091 /nfs/dbraw/zinc/56/20/91/496562091.db2.gz NQAVMWLQVOTFNJ-FRIKZZABSA-N 3 0 352.526 3.128 20 30 FGEDRP Cn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000185292726 496724971 /nfs/dbraw/zinc/72/49/71/496724971.db2.gz FARJYIZLLVYZPN-UHFFFAOYSA-N 2 0 351.498 3.170 20 30 FGEDRP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000245569211 497461782 /nfs/dbraw/zinc/46/17/82/497461782.db2.gz VZFCSAZSKVYQRM-QRVBRYPASA-N 2 0 371.525 3.299 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 ZINC000267390867 497540424 /nfs/dbraw/zinc/54/04/24/497540424.db2.gz OOOKPNIMFQJGPL-KDURUIRLSA-N 2 0 371.525 3.300 20 30 FGEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000303864996 498723438 /nfs/dbraw/zinc/72/34/38/498723438.db2.gz BLUIXDMPZSLICT-HNNXBMFYSA-N 2 0 358.511 3.396 20 30 FGEDRP O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329417726 499118175 /nfs/dbraw/zinc/11/81/75/499118175.db2.gz GMXJXJSXYWOEPE-LJQANCHMSA-N 2 0 367.497 3.237 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000369340927 499393401 /nfs/dbraw/zinc/39/34/01/499393401.db2.gz BFJCEVKJQXHHEI-QIJUGHKUSA-N 2 0 371.525 3.348 20 30 FGEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000369341716 499393406 /nfs/dbraw/zinc/39/34/06/499393406.db2.gz GBSQMDNUAVKWOG-STZQEDGTSA-N 2 0 356.510 3.068 20 30 FGEDRP CC(C)c1nccn1[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785276 499555766 /nfs/dbraw/zinc/55/57/66/499555766.db2.gz BCKJMWRBHFCVBO-QZTJIDSGSA-N 2 0 371.529 3.375 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](c2ccccc2)C1 ZINC000421321613 500017117 /nfs/dbraw/zinc/01/71/17/500017117.db2.gz CBJLBQYCXZVWRJ-QFIPXVFZSA-N 2 0 366.484 3.166 20 30 FGEDRP C=CCOc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428432391 500509202 /nfs/dbraw/zinc/50/92/02/500509202.db2.gz YNWSNPCGQJAIJQ-HSZRJFAPSA-N 2 0 366.505 3.320 20 30 FGEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444663878 500875492 /nfs/dbraw/zinc/87/54/92/500875492.db2.gz PRYHNIXNJVVKJT-UHFFFAOYSA-N 2 0 372.557 3.469 20 30 FGEDRP CC1(C#N)CCC([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000449224492 500951718 /nfs/dbraw/zinc/95/17/18/500951718.db2.gz LTKCBZUKUPPTSE-UHFFFAOYSA-N 2 0 368.525 3.074 20 30 FGEDRP N#CC1(C[C@H](O)C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000602864086 506330594 /nfs/dbraw/zinc/33/05/94/506330594.db2.gz QCCYYPMXOVFTDS-NRFANRHFSA-N 2 0 367.537 3.419 20 30 FGEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511874592 503405269 /nfs/dbraw/zinc/40/52/69/503405269.db2.gz NBXJBLBHEVGMCE-HXUWFJFHSA-N 2 0 362.521 3.369 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000517997770 503884378 /nfs/dbraw/zinc/88/43/78/503884378.db2.gz OXWSSIWTUDLZSG-RXVVDRJESA-N 2 0 370.541 3.162 20 30 FGEDRP C=C[C@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000534694699 504216750 /nfs/dbraw/zinc/21/67/50/504216750.db2.gz DHXYVSWYDJNUAJ-TZIWHRDSSA-N 2 0 357.542 3.221 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC000520201300 504434177 /nfs/dbraw/zinc/43/41/77/504434177.db2.gz IVDOILGXSZCARB-LJQANCHMSA-N 2 0 364.578 3.201 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000520692842 504558507 /nfs/dbraw/zinc/55/85/07/504558507.db2.gz HIOXVVIGQKMKBB-OAQYLSRUSA-N 2 0 372.557 3.409 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2ccccc2)CC1 ZINC000521604172 504762977 /nfs/dbraw/zinc/76/29/77/504762977.db2.gz UWQBNXGLVYITDF-UHFFFAOYSA-N 2 0 372.557 3.190 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440525 507133688 /nfs/dbraw/zinc/13/36/88/507133688.db2.gz DWDLYFUOPKQPJM-PXNSSMCTSA-N 2 0 356.514 3.088 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000594498977 507155939 /nfs/dbraw/zinc/15/59/39/507155939.db2.gz WLUXJQDWJMKEDP-SFTDATJTSA-N 2 0 355.526 3.345 20 30 FGEDRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611515352 507716509 /nfs/dbraw/zinc/71/65/09/507716509.db2.gz NOTBAXBBYAYUQU-OAQYLSRUSA-N 2 0 368.525 3.107 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(C(F)(F)F)c1 ZINC000595894755 507731897 /nfs/dbraw/zinc/73/18/97/507731897.db2.gz YZROQCBZTCUWDG-FUHWJXTLSA-N 2 0 367.415 3.295 20 30 FGEDRP C[NH+]=C(NCc1cc(F)ccc1SC)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262772100 713729231 /nfs/dbraw/zinc/72/92/31/713729231.db2.gz IZHPFASVOSUSBB-ALOPSCKCSA-N 2 0 364.534 3.228 20 30 FGEDRP C#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000809623273 725253135 /nfs/dbraw/zinc/25/31/35/725253135.db2.gz SAHYYGPMVCXXGI-UHFFFAOYSA-N 2 0 353.897 3.363 20 30 FGEDRP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938510 766576686 /nfs/dbraw/zinc/57/66/86/766576686.db2.gz DJHPJTFHVQURQA-NLWGTHIKSA-N 2 0 367.965 3.174 20 30 FGEDRP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000121081516 494585404 /nfs/dbraw/zinc/58/54/04/494585404.db2.gz BOOAWOBIXQCEFL-SFTDATJTSA-N 2 0 355.526 3.218 20 30 FGEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834186 495045138 /nfs/dbraw/zinc/04/51/38/495045138.db2.gz UOJPWSMCCWKKLN-LJQANCHMSA-N 2 0 368.525 3.475 20 30 FGEDRP C=CC1CC[NH+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000111256468 495055028 /nfs/dbraw/zinc/05/50/28/495055028.db2.gz WDPOEBOXVPRXLI-GOSISDBHSA-N 2 0 355.526 3.054 20 30 FGEDRP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123657879 495167854 /nfs/dbraw/zinc/16/78/54/495167854.db2.gz BAWXZHLOCNWHOY-LJQANCHMSA-N 2 0 370.541 3.376 20 30 FGEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130703301 495432001 /nfs/dbraw/zinc/43/20/01/495432001.db2.gz BBKPPXVMCRCWJW-QGZVFWFLSA-N 2 0 370.541 3.035 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181699747 496508772 /nfs/dbraw/zinc/50/87/72/496508772.db2.gz RSAQJQUVVPBRDO-NRFANRHFSA-N 2 0 354.542 3.233 20 30 FGEDRP [NH2+]=C(NCCCCCCNC(=[NH2+])Nc1ccccc1)Nc1ccccc1 ZINC000206233988 496974043 /nfs/dbraw/zinc/97/40/43/496974043.db2.gz QFGXFTBGZDDRGP-UHFFFAOYSA-N 2 0 352.486 3.400 20 30 FGEDRP CC[NH+]1CCC(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278729057 497202960 /nfs/dbraw/zinc/20/29/60/497202960.db2.gz UECSHXGRNHBEER-UHFFFAOYSA-N 2 0 366.513 3.070 20 30 FGEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665263 497492171 /nfs/dbraw/zinc/49/21/71/497492171.db2.gz GUEAVWOMMPJAIM-CXAGYDPISA-N 2 0 361.852 3.294 20 30 FGEDRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000245912626 497568940 /nfs/dbraw/zinc/56/89/40/497568940.db2.gz PMIXGFBXBCWIJD-AQNXPRMDSA-N 2 0 368.569 3.479 20 30 FGEDRP CN1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209161 497661445 /nfs/dbraw/zinc/66/14/45/497661445.db2.gz PFCKZPHXXJZSNP-JXFKEZNVSA-N 2 0 365.506 3.440 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)N(C)CCC#N ZINC000246541045 497768504 /nfs/dbraw/zinc/76/85/04/497768504.db2.gz IASDKRWVTKEUID-CEXWTWQISA-N 2 0 370.541 3.015 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292996282 498227333 /nfs/dbraw/zinc/22/73/33/498227333.db2.gz OLDDESHXHJLEJN-DENIHFKCSA-N 2 0 368.525 3.048 20 30 FGEDRP CN(CCC#N)c1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000372413306 499432034 /nfs/dbraw/zinc/43/20/34/499432034.db2.gz JUAAGAXZXQWDPK-UHFFFAOYSA-N 2 0 370.541 3.112 20 30 FGEDRP Cc1cn2c(n1)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000373200544 499457004 /nfs/dbraw/zinc/45/70/04/499457004.db2.gz HRMCEYPVMAVCAX-SFHVURJKSA-N 2 0 360.465 3.131 20 30 FGEDRP C=CCOc1cccc(C[NH+]2CCC(N3CC[NH+](CCC)CC3)CC2)c1 ZINC000378341556 499503841 /nfs/dbraw/zinc/50/38/41/499503841.db2.gz LIHLHPYVMPRSFK-UHFFFAOYSA-N 2 0 357.542 3.243 20 30 FGEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422976173 500326253 /nfs/dbraw/zinc/32/62/53/500326253.db2.gz HXJMBYZAGVLLTJ-LRQRDZAKSA-N 2 0 366.484 3.214 20 30 FGEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000596058100 506233149 /nfs/dbraw/zinc/23/31/49/506233149.db2.gz CUCPFRQQSYRPLM-JOCHJYFZSA-N 2 0 366.553 3.234 20 30 FGEDRP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602677998 506259036 /nfs/dbraw/zinc/25/90/36/506259036.db2.gz ZAMXJNYAKMTOBE-TZIWHRDSSA-N 2 0 355.526 3.445 20 30 FGEDRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000534471080 504150608 /nfs/dbraw/zinc/15/06/08/504150608.db2.gz SYLOETABLKRVAA-IBGZPJMESA-N 2 0 373.460 3.320 20 30 FGEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000542468987 504502959 /nfs/dbraw/zinc/50/29/59/504502959.db2.gz YIQYYKJQIZIPGG-UHFFFAOYSA-N 2 0 372.476 3.160 20 30 FGEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000542942330 504666620 /nfs/dbraw/zinc/66/66/20/504666620.db2.gz NOBUGGBJAMQAOC-WIYYLYMNSA-N 2 0 364.578 3.263 20 30 FGEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000565710338 504965443 /nfs/dbraw/zinc/96/54/43/504965443.db2.gz GXGWUYONXWXURK-RJGXRXQPSA-N 2 0 361.489 3.472 20 30 FGEDRP C[C@@H]([NH2+]CCOCC[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000558738708 505479031 /nfs/dbraw/zinc/47/90/31/505479031.db2.gz XTAIGZILAFTEEM-QZTJIDSGSA-N 2 0 362.477 3.448 20 30 FGEDRP C=CCN(CC=C)C(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000583557593 506846685 /nfs/dbraw/zinc/84/66/85/506846685.db2.gz QWIRRDKXBKRPEU-GOSISDBHSA-N 2 0 361.555 3.011 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716385 507079102 /nfs/dbraw/zinc/07/91/02/507079102.db2.gz KYYCKARGMQSFPH-DBXWQHBBSA-N 2 0 355.526 3.309 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000600753191 507100695 /nfs/dbraw/zinc/10/06/95/507100695.db2.gz JFWXYRNMGRBWHY-KRWDZBQOSA-N 2 0 367.415 3.168 20 30 FGEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000594440995 507135133 /nfs/dbraw/zinc/13/51/33/507135133.db2.gz KMRAVMFDYVGKDR-QZTJIDSGSA-N 2 0 362.905 3.004 20 30 FGEDRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)CC1 ZINC000594445288 507136585 /nfs/dbraw/zinc/13/65/85/507136585.db2.gz JEAVHGNAOCMRIX-FQEVSTJZSA-N 2 0 356.514 3.311 20 30 FGEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598730341 507570879 /nfs/dbraw/zinc/57/08/79/507570879.db2.gz UCLFRRCICGNCMI-WOJBJXKFSA-N 2 0 355.526 3.179 20 30 FGEDRP [NH2+]=C(NCCc1cccs1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000303777884 713788488 /nfs/dbraw/zinc/78/84/88/713788488.db2.gz JDOOSZJQWYFIET-UHFFFAOYSA-N 2 0 356.539 3.381 20 30 FGEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)C1 ZINC000303872539 713789452 /nfs/dbraw/zinc/78/94/52/713789452.db2.gz CAVSSOKWZROCDT-IRXDYDNUSA-N 2 0 360.571 3.028 20 30 FGEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCc1cccs1)Cc1ccccc1 ZINC000303874385 713789642 /nfs/dbraw/zinc/78/96/42/713789642.db2.gz DAVHSBRFHXVQNP-SFHVURJKSA-N 2 0 358.555 3.148 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303902562 713790180 /nfs/dbraw/zinc/79/01/80/713790180.db2.gz XXFVCAUYRJCUIM-CYBMUJFWSA-N 2 0 358.408 3.432 20 30 FGEDRP C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000625705126 715776823 /nfs/dbraw/zinc/77/68/23/715776823.db2.gz SDEUMUGSBWUTKT-KRWDZBQOSA-N 2 0 359.539 3.072 20 30 FGEDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000800895578 724244490 /nfs/dbraw/zinc/24/44/90/724244490.db2.gz IGFRTDRMZLDUDW-UHFFFAOYSA-N 2 0 354.885 3.253 20 30 FGEDRP CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3csc(C#N)c3)C2)ccn1 ZINC000895501620 742420249 /nfs/dbraw/zinc/42/02/49/742420249.db2.gz ZIOWVKZYDUCLRY-SFHVURJKSA-N 2 0 356.495 3.120 20 30 FGEDRP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133839 766292392 /nfs/dbraw/zinc/29/23/92/766292392.db2.gz WLCKIWADGBTZEF-GBESFXJTSA-N 2 0 367.965 3.030 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000121693389 494838998 /nfs/dbraw/zinc/83/89/98/494838998.db2.gz LNBVCIXJXIJBHZ-IRXDYDNUSA-N 2 0 359.489 3.409 20 30 FGEDRP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121846261 494873983 /nfs/dbraw/zinc/87/39/83/494873983.db2.gz GZCQHDMTHLXPCX-RXVVDRJESA-N 2 0 362.562 3.017 20 30 FGEDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000118868325 495051386 /nfs/dbraw/zinc/05/13/86/495051386.db2.gz AZIGLHWNZYCQAS-UHFFFAOYSA-N 2 0 374.554 3.101 20 30 FGEDRP COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694879 495683229 /nfs/dbraw/zinc/68/32/29/495683229.db2.gz LMLQPQVGJBTMRD-WMZOPIPTSA-N 2 0 357.498 3.188 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000155888892 496099151 /nfs/dbraw/zinc/09/91/51/496099151.db2.gz SXIMNRULDRTPDZ-OALUTQOASA-N 2 0 358.501 3.389 20 30 FGEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156038779 496140514 /nfs/dbraw/zinc/14/05/14/496140514.db2.gz SUXUEOMVPPOXQS-HSZRJFAPSA-N 2 0 363.505 3.436 20 30 FGEDRP C[NH+](C)CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000181763627 496534698 /nfs/dbraw/zinc/53/46/98/496534698.db2.gz GBCXMQAAFXIVLJ-NRFANRHFSA-N 2 0 356.558 3.479 20 30 FGEDRP N#Cc1cccc(NC(=O)CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000178913125 496614055 /nfs/dbraw/zinc/61/40/55/496614055.db2.gz LKDFERIWXWJSFE-UHFFFAOYSA-N 2 0 368.525 3.475 20 30 FGEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264134631 496819879 /nfs/dbraw/zinc/81/98/79/496819879.db2.gz UXHPXDSOQRQIIK-UHFFFAOYSA-N 2 0 370.497 3.472 20 30 FGEDRP N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(F)c1 ZINC000237710612 497280373 /nfs/dbraw/zinc/28/03/73/497280373.db2.gz RKEOSKBJIHVGDY-UHFFFAOYSA-N 2 0 353.441 3.462 20 30 FGEDRP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000245569215 497460625 /nfs/dbraw/zinc/46/06/25/497460625.db2.gz VZFCSAZSKVYQRM-QYZOEREBSA-N 2 0 371.525 3.299 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000328754653 498927959 /nfs/dbraw/zinc/92/79/59/498927959.db2.gz DVMLGAYXWOIYHR-KRWDZBQOSA-N 2 0 359.514 3.496 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000411553076 499754045 /nfs/dbraw/zinc/75/40/45/499754045.db2.gz QOKMEAUKFRSLBL-BZSNNMDCSA-N 2 0 374.554 3.215 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000414838197 499836135 /nfs/dbraw/zinc/83/61/35/499836135.db2.gz VDUOSANMCWYKRG-CYBMUJFWSA-N 2 0 369.303 3.112 20 30 FGEDRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000596148051 506279703 /nfs/dbraw/zinc/27/97/03/506279703.db2.gz YRAJCWNPSCLAAS-TVFCKZIOSA-N 2 0 370.545 3.051 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1OC ZINC000482141650 501988184 /nfs/dbraw/zinc/98/81/84/501988184.db2.gz KJJIBUQPPQYJQZ-OALUTQOASA-N 2 0 359.514 3.436 20 30 FGEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cccc(OCCCC#N)c2)CC1 ZINC000532805370 504762440 /nfs/dbraw/zinc/76/24/40/504762440.db2.gz UDBNVIUIDAEPSA-UHFFFAOYSA-N 2 0 365.481 3.128 20 30 FGEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000565448634 504890147 /nfs/dbraw/zinc/89/01/47/504890147.db2.gz CBXBBKDRMSHFTA-HXUWFJFHSA-N 2 0 350.466 3.061 20 30 FGEDRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000582765122 506405836 /nfs/dbraw/zinc/40/58/36/506405836.db2.gz YDFLWSOYUZIFEM-HXUWFJFHSA-N 2 0 370.541 3.226 20 30 FGEDRP CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594440447 507133738 /nfs/dbraw/zinc/13/37/38/507133738.db2.gz CKFDBQXIBXNWHT-SFTDATJTSA-N 2 0 370.541 3.301 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440979 507134736 /nfs/dbraw/zinc/13/47/36/507134736.db2.gz KIPPFECLZNSZIJ-LVCYWYKZSA-N 2 0 370.541 3.192 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000594952259 507329491 /nfs/dbraw/zinc/32/94/91/507329491.db2.gz AABFQPMVSDFKLB-UHFFFAOYSA-N 2 0 355.526 3.468 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000598594783 507510838 /nfs/dbraw/zinc/51/08/38/507510838.db2.gz JSSFSHBMYHRXTG-RBBKRZOGSA-N 2 0 355.526 3.275 20 30 FGEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1 ZINC000595896733 507732060 /nfs/dbraw/zinc/73/20/60/507732060.db2.gz WKLZREBTHCDWFC-XYJFISCASA-N 2 0 367.415 3.295 20 30 FGEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303988910 713791035 /nfs/dbraw/zinc/79/10/35/713791035.db2.gz WYJXEYSWHRKFOI-TZMCWYRMSA-N 2 0 373.328 3.070 20 30 FGEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1cccs1 ZINC000304807240 713792162 /nfs/dbraw/zinc/79/21/62/713792162.db2.gz SXAOBNQQPIXDAV-RHSMWYFYSA-N 2 0 362.568 3.340 20 30 FGEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCC(C)CC1 ZINC000305256469 713792814 /nfs/dbraw/zinc/79/28/14/713792814.db2.gz WPFSKDQZDVCCNE-ZDUSSCGKSA-N 2 0 358.408 3.432 20 30 FGEDRP C=CCN1CCC([NH2+][C@H](CC)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000834571419 729815365 /nfs/dbraw/zinc/81/53/65/729815365.db2.gz SVVUXKCRZGCZGP-MSOLQXFVSA-N 2 0 351.535 3.405 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000066960821 494446262 /nfs/dbraw/zinc/44/62/62/494446262.db2.gz UFTIOVXOCMPEGC-GOSISDBHSA-N 2 0 362.562 3.161 20 30 FGEDRP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868547 495050974 /nfs/dbraw/zinc/05/09/74/495050974.db2.gz QJWIJPRYQISXDH-AWEZNQCLSA-N 2 0 362.905 3.202 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000185383896 495557759 /nfs/dbraw/zinc/55/77/59/495557759.db2.gz JZQHJXZSKWSBOO-UHFFFAOYSA-N 2 0 364.578 3.371 20 30 FGEDRP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[C@H]1CCCC[NH+]1C ZINC000173638190 495626950 /nfs/dbraw/zinc/62/69/50/495626950.db2.gz FBMLZUFPLIJQSH-OAHLLOKOSA-N 2 0 374.554 3.243 20 30 FGEDRP C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719269 495696359 /nfs/dbraw/zinc/69/63/59/495696359.db2.gz FEUYMSYMMSCAMW-HOCLYGCPSA-N 2 0 360.527 3.191 20 30 FGEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000185785716 495724937 /nfs/dbraw/zinc/72/49/37/495724937.db2.gz XTSXAJFHUFVVQP-YADHBBJMSA-N 2 0 354.542 3.256 20 30 FGEDRP CCC[N@H+](C)C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215360 495910489 /nfs/dbraw/zinc/91/04/89/495910489.db2.gz WHBFUGABJSLPGI-GOSISDBHSA-N 2 0 351.498 3.122 20 30 FGEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152393965 496137296 /nfs/dbraw/zinc/13/72/96/496137296.db2.gz XPOSXOKMQTVLGB-WOJBJXKFSA-N 2 0 370.541 3.212 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000177684506 496159024 /nfs/dbraw/zinc/15/90/24/496159024.db2.gz YSBCSQCDVCZLKE-FQEVSTJZSA-N 2 0 354.523 3.088 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000175511338 496421052 /nfs/dbraw/zinc/42/10/52/496421052.db2.gz ZCPRECGMQDLMJC-UHFFFAOYSA-N 2 0 364.578 3.084 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248611972 497056558 /nfs/dbraw/zinc/05/65/58/497056558.db2.gz XTWLDCOXAHCGTN-CZTZKLFOSA-N 2 0 372.553 3.397 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266749980 497411907 /nfs/dbraw/zinc/41/19/07/497411907.db2.gz NSQNEWNLUGXCGG-HNNXBMFYSA-N 2 0 358.511 3.254 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000364731916 498119152 /nfs/dbraw/zinc/11/91/52/498119152.db2.gz WOCAMDRPLTWSCP-GOSISDBHSA-N 2 0 370.541 3.260 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000370654807 499240459 /nfs/dbraw/zinc/24/04/59/499240459.db2.gz XHWKHSKBMZIOPS-UIFIKXQLSA-N 2 0 373.566 3.270 20 30 FGEDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2)C1CC1 ZINC000371321556 499310019 /nfs/dbraw/zinc/31/00/19/499310019.db2.gz QZBWZZKCJAUOBP-SFHVURJKSA-N 2 0 366.509 3.083 20 30 FGEDRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000376163176 499587836 /nfs/dbraw/zinc/58/78/36/499587836.db2.gz ASJAEXZOWYYKGY-SFHVURJKSA-N 2 0 354.542 3.405 20 30 FGEDRP C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377407932 499687883 /nfs/dbraw/zinc/68/78/83/499687883.db2.gz CTDMVUCMINCBHD-PXNSSMCTSA-N 2 0 359.477 3.206 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421334758 500019658 /nfs/dbraw/zinc/01/96/58/500019658.db2.gz QQOVJBBYQHFZMY-UHFFFAOYSA-N 2 0 366.484 3.125 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421332878 500019928 /nfs/dbraw/zinc/01/99/28/500019928.db2.gz MMXITRPYIDHQQD-UHFFFAOYSA-N 2 0 366.484 3.125 20 30 FGEDRP N#Cc1cccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000602566484 506219796 /nfs/dbraw/zinc/21/97/96/506219796.db2.gz ICYVESWONOJFOJ-UHFFFAOYSA-N 2 0 364.493 3.114 20 30 FGEDRP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000501768194 503074790 /nfs/dbraw/zinc/07/47/90/503074790.db2.gz ACUUNGWYCSHKFG-UHFFFAOYSA-N 2 0 353.470 3.162 20 30 FGEDRP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000594437690 507133626 /nfs/dbraw/zinc/13/36/26/507133626.db2.gz KUKTZWMBBJNECH-FQEVSTJZSA-N 2 0 356.514 3.090 20 30 FGEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598718439 507566680 /nfs/dbraw/zinc/56/66/80/507566680.db2.gz FFMJHWSUHKOYTM-IBGZPJMESA-N 2 0 355.482 3.302 20 30 FGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000602546280 507743583 /nfs/dbraw/zinc/74/35/83/507743583.db2.gz JDCLTNNZUZGMFE-IBGZPJMESA-N 2 0 371.525 3.350 20 30 FGEDRP C=CCN1CCC([NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924983059 759427256 /nfs/dbraw/zinc/42/72/56/759427256.db2.gz ARKSGLDUVGLNFC-QGZVFWFLSA-N 2 0 350.304 3.462 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000570792784 505581734 /nfs/dbraw/zinc/58/17/34/505581734.db2.gz SRLFSQFCNRVLEN-AOMIVXANSA-N 2 0 352.526 3.132 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081094951 493831651 /nfs/dbraw/zinc/83/16/51/493831651.db2.gz CESJQWQWRMTMAZ-KDOFPFPSSA-N 2 0 362.905 3.202 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000074319570 494518601 /nfs/dbraw/zinc/51/86/01/494518601.db2.gz CDMFXBKBOPMEKP-UHFFFAOYSA-N 2 0 356.514 3.331 20 30 FGEDRP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121845975 494873793 /nfs/dbraw/zinc/87/37/93/494873793.db2.gz GZCQHDMTHLXPCX-NQIIRXRSSA-N 2 0 362.562 3.017 20 30 FGEDRP COc1cc(C#N)ccc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130103370 495342259 /nfs/dbraw/zinc/34/22/59/495342259.db2.gz RQFNVWWDJHSFGU-UHFFFAOYSA-N 2 0 350.466 3.310 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000106265777 495440542 /nfs/dbraw/zinc/44/05/42/495440542.db2.gz WNBGQQXKKHDJOP-QZTJIDSGSA-N 2 0 364.578 3.083 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000106275134 495442081 /nfs/dbraw/zinc/44/20/81/495442081.db2.gz NZFNBKVFRUVXSR-UHFFFAOYSA-N 2 0 370.541 3.122 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCCC2)cc1OC ZINC000170908937 495650233 /nfs/dbraw/zinc/65/02/33/495650233.db2.gz BTMJUGDLPYHMON-UHFFFAOYSA-N 2 0 368.481 3.226 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000177492676 496084365 /nfs/dbraw/zinc/08/43/65/496084365.db2.gz SBRMAXBFHIIXJA-UHFFFAOYSA-N 2 0 362.562 3.123 20 30 FGEDRP CC1(C)CC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000181414181 496385553 /nfs/dbraw/zinc/38/55/53/496385553.db2.gz FYFJAGOYZLAPFS-UHFFFAOYSA-N 2 0 354.542 3.421 20 30 FGEDRP CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C[NH+]1CCCC1 ZINC000278572249 497155596 /nfs/dbraw/zinc/15/55/96/497155596.db2.gz DTTMJENOETUTNT-UHFFFAOYSA-N 2 0 366.513 3.070 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCN2C)cc1OC ZINC000237242376 497209332 /nfs/dbraw/zinc/20/93/32/497209332.db2.gz ULZSFIVAVFVJNO-AWEZNQCLSA-N 2 0 369.303 3.206 20 30 FGEDRP N#Cc1ccc(CN2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)cc1 ZINC000292972928 498217660 /nfs/dbraw/zinc/21/76/60/498217660.db2.gz KMLAGBODMXWNKV-UHFFFAOYSA-N 2 0 354.542 3.378 20 30 FGEDRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000360094966 498246498 /nfs/dbraw/zinc/24/64/98/498246498.db2.gz BSMYQZILWLVQMP-DNVCBOLYSA-N 2 0 351.479 3.050 20 30 FGEDRP CCC[N@H+](Cc1cc(C#N)n(C)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000365246336 498372284 /nfs/dbraw/zinc/37/22/84/498372284.db2.gz ZBWZJPNDYDOALC-UHFFFAOYSA-N 2 0 366.513 3.185 20 30 FGEDRP CC(C)(C#N)CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367226625 499164590 /nfs/dbraw/zinc/16/45/90/499164590.db2.gz XEEBPESJCZUYEE-NRFANRHFSA-N 2 0 354.542 3.208 20 30 FGEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975119 501879198 /nfs/dbraw/zinc/87/91/98/501879198.db2.gz MCOGYGUSABBLBY-INIZCTEOSA-N 2 0 374.916 3.204 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589594 504703726 /nfs/dbraw/zinc/70/37/26/504703726.db2.gz YTXSKISQHKEKOZ-PBHICJAKSA-N 2 0 362.905 3.345 20 30 FGEDRP C[C@H](NC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258159 506681262 /nfs/dbraw/zinc/68/12/62/506681262.db2.gz KQQLWPQGWVHKQA-FXAWDEMLSA-N 2 0 367.493 3.017 20 30 FGEDRP N#CC1(C[C@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000600722385 507082314 /nfs/dbraw/zinc/08/23/14/507082314.db2.gz PLAUPYGQLSGOCU-SFHVURJKSA-N 2 0 361.917 3.196 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000598593939 507511262 /nfs/dbraw/zinc/51/12/62/507511262.db2.gz YKGBLFSAIJWLDM-ACRUOGEOSA-N 2 0 355.526 3.274 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000598617517 507519209 /nfs/dbraw/zinc/51/92/09/507519209.db2.gz JOVMRLXVHNVRAY-FQEVSTJZSA-N 2 0 355.526 3.275 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121081804 700665390 /nfs/dbraw/zinc/66/53/90/700665390.db2.gz UXSFXLFTLJQHST-SJLPKXTDSA-N 2 0 365.949 3.352 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](CC)CC2)cc1 ZINC000154328253 705030880 /nfs/dbraw/zinc/03/08/80/705030880.db2.gz QMPJNCNXQFYZCQ-GOSISDBHSA-N 2 0 365.949 3.496 20 30 FGEDRP C=CC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662664195 720450962 /nfs/dbraw/zinc/45/09/62/720450962.db2.gz UFIWHEWAYQJSAJ-YLJYHZDGSA-N 2 0 361.555 3.336 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(COC)CC[NH2+]CC2)cc1 ZINC000817971606 727289969 /nfs/dbraw/zinc/28/99/69/727289969.db2.gz FWAWLRBXRNDRKN-INIZCTEOSA-N 2 0 352.906 3.485 20 30 FGEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@]1(C)CCCCO1 ZINC000902880089 743783529 /nfs/dbraw/zinc/78/35/29/743783529.db2.gz CLSCHJAQSIEJHA-CGXNFDGLSA-N 2 0 350.547 3.248 20 30 FGEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121845549 494873583 /nfs/dbraw/zinc/87/35/83/494873583.db2.gz QOACZLKYKCOJNT-IBGZPJMESA-N 2 0 374.573 3.306 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC000106335969 495445396 /nfs/dbraw/zinc/44/53/96/495445396.db2.gz WQVBHMJRFDYVOR-GOSISDBHSA-N 2 0 362.518 3.002 20 30 FGEDRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182995212 495791125 /nfs/dbraw/zinc/79/11/25/495791125.db2.gz QMKIQCUIHCDAOH-NRFANRHFSA-N 2 0 368.525 3.107 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000171696954 495993229 /nfs/dbraw/zinc/99/32/29/495993229.db2.gz NSNCCNJFMDNUQF-UHFFFAOYSA-N 2 0 362.562 3.125 20 30 FGEDRP C[C@H]1C[NH+](CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000156030891 496137879 /nfs/dbraw/zinc/13/78/79/496137879.db2.gz QIBYCYUSBQLPEH-OALUTQOASA-N 2 0 371.525 3.148 20 30 FGEDRP N#Cc1csc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000177687095 496160179 /nfs/dbraw/zinc/16/01/79/496160179.db2.gz JCTCJANTVPWEMD-UHFFFAOYSA-N 2 0 354.523 3.312 20 30 FGEDRP C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCCC1 ZINC000181539346 496437589 /nfs/dbraw/zinc/43/75/89/496437589.db2.gz ORGDPIWDZURSHH-LJQANCHMSA-N 2 0 354.542 3.234 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000181626979 496476547 /nfs/dbraw/zinc/47/65/47/496476547.db2.gz DYFFUKFFBMHSRC-QGZVFWFLSA-N 2 0 353.466 3.380 20 30 FGEDRP CCC[N@H+](CC)Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000264144676 496822136 /nfs/dbraw/zinc/82/21/36/496822136.db2.gz GRNSDLHFXJUQGW-UHFFFAOYSA-N 2 0 358.530 3.226 20 30 FGEDRP CC1(C)CC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC(C)(C)[NH2+]1 ZINC000278632762 497174160 /nfs/dbraw/zinc/17/41/60/497174160.db2.gz KVJSDNAOEVWQAY-UHFFFAOYSA-N 2 0 366.513 3.258 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2cc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000246302815 497689987 /nfs/dbraw/zinc/68/99/87/497689987.db2.gz YSBCSQCDVCZLKE-HXUWFJFHSA-N 2 0 354.523 3.088 20 30 FGEDRP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cn2)C[C@H](C)O1 ZINC000329236980 499080326 /nfs/dbraw/zinc/08/03/26/499080326.db2.gz JXSXEDBCTCWLOS-SCTDSRPQSA-N 2 0 374.529 3.416 20 30 FGEDRP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000370675348 499243115 /nfs/dbraw/zinc/24/31/15/499243115.db2.gz DSXNFCJCOJNGTJ-YTFSRNRJSA-N 2 0 361.489 3.046 20 30 FGEDRP C=CCOc1ccccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397607963 499564628 /nfs/dbraw/zinc/56/46/28/499564628.db2.gz QGOQHPYVSIETTH-UHFFFAOYSA-N 2 0 366.505 3.368 20 30 FGEDRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000376167073 499588319 /nfs/dbraw/zinc/58/83/19/499588319.db2.gz PFSFRKAGSOYLKO-GOSISDBHSA-N 2 0 354.542 3.405 20 30 FGEDRP CN(C(=O)c1cscc1C#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000570417206 506163772 /nfs/dbraw/zinc/16/37/72/506163772.db2.gz UBUJVSCLPAEDLY-RBUKOAKNSA-N 2 0 374.554 3.029 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000421331197 500019286 /nfs/dbraw/zinc/01/92/86/500019286.db2.gz ZMJPBBDKQNUXGZ-OAHLLOKOSA-N 2 0 370.447 3.439 20 30 FGEDRP C=CCOc1ccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000421377368 500032782 /nfs/dbraw/zinc/03/27/82/500032782.db2.gz RIYWYAMIYXLQPP-UHFFFAOYSA-N 2 0 357.542 3.243 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333263 500443532 /nfs/dbraw/zinc/44/35/32/500443532.db2.gz FHJOZRIGPDPHDM-LPHOPBHVSA-N 2 0 361.555 3.115 20 30 FGEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000449746719 501073428 /nfs/dbraw/zinc/07/34/28/501073428.db2.gz SYHDJLNWQBZVFP-UHFFFAOYSA-N 2 0 368.447 3.083 20 30 FGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(F)c(C[NH2+][C@@H]2CCCO[C@H]2C=C)c1 ZINC000451684521 501349908 /nfs/dbraw/zinc/34/99/08/501349908.db2.gz VFZOHJFJQHTSFG-CZYKHXBRSA-N 2 0 374.500 3.472 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455931207 501419197 /nfs/dbraw/zinc/41/91/97/501419197.db2.gz PHPPXEFALWNBFE-HXUWFJFHSA-N 2 0 356.514 3.398 20 30 FGEDRP CCC1([NH+]2CCCC2)CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000602948768 506363630 /nfs/dbraw/zinc/36/36/30/506363630.db2.gz DWJBQMTZGUOBKB-UHFFFAOYSA-N 2 0 354.498 3.227 20 30 FGEDRP C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000533295898 503794915 /nfs/dbraw/zinc/79/49/15/503794915.db2.gz NDKHOHANLKFGBS-DLBZAZTESA-N 2 0 374.554 3.150 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000540989118 503966229 /nfs/dbraw/zinc/96/62/29/503966229.db2.gz VQVYQWOCXNVONY-DNVCBOLYSA-N 2 0 353.441 3.115 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 ZINC000528451248 504229836 /nfs/dbraw/zinc/22/98/36/504229836.db2.gz WCEYJWKSOUIVKC-LJQANCHMSA-N 2 0 361.917 3.071 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)C ZINC000520704658 504560588 /nfs/dbraw/zinc/56/05/88/504560588.db2.gz WTDWBVORGSWWHO-QUCCMNQESA-N 2 0 362.562 3.001 20 30 FGEDRP C=C(C)COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)ccc1OC ZINC000539832109 504708989 /nfs/dbraw/zinc/70/89/89/504708989.db2.gz KNINNSNRLCAWFC-UHFFFAOYSA-N 2 0 362.514 3.193 20 30 FGEDRP N#Cc1cnn2cc(C[NH2+]Cc3ccc(C[NH+]4CCCCCC4)cc3)cnc12 ZINC000559869128 504941324 /nfs/dbraw/zinc/94/13/24/504941324.db2.gz UMZCBWYVAAMUGC-UHFFFAOYSA-N 2 0 374.492 3.267 20 30 FGEDRP Cc1ccnc([C@H]2CCN(CC#CC[N@@H+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018130 505057006 /nfs/dbraw/zinc/05/70/06/505057006.db2.gz VMIHISARXUTHCB-VXKWHMMOSA-N 2 0 374.532 3.376 20 30 FGEDRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000582765121 506405564 /nfs/dbraw/zinc/40/55/64/506405564.db2.gz YDFLWSOYUZIFEM-FQEVSTJZSA-N 2 0 370.541 3.226 20 30 FGEDRP N#Cc1ccc2ncc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189087 506475904 /nfs/dbraw/zinc/47/59/04/506475904.db2.gz ZNRXMNJAZUDRLO-HSZRJFAPSA-N 2 0 371.488 3.304 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000599657694 506558491 /nfs/dbraw/zinc/55/84/91/506558491.db2.gz KRUMVPNGKVMDDQ-GOSISDBHSA-N 2 0 370.541 3.301 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)cc2)CC1 ZINC000594931854 507319298 /nfs/dbraw/zinc/31/92/98/507319298.db2.gz SPKRWCGWWAMXLI-LEWJYISDSA-N 2 0 353.510 3.099 20 30 FGEDRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000611388477 507657361 /nfs/dbraw/zinc/65/73/61/507657361.db2.gz INUXKJHFNJIXEU-HDICACEKSA-N 2 0 362.477 3.448 20 30 FGEDRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)(N2CCCCC2)CC1 ZINC000611393104 507659366 /nfs/dbraw/zinc/65/93/66/507659366.db2.gz JQOIRNVOIHKCBI-QFIPXVFZSA-N 2 0 366.553 3.476 20 30 FGEDRP C[NH+](C)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602550369 507745767 /nfs/dbraw/zinc/74/57/67/507745767.db2.gz BKDAPWAYPOKVNZ-CVEARBPZSA-N 2 0 371.312 3.124 20 30 FGEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000086535648 700372196 /nfs/dbraw/zinc/37/21/96/700372196.db2.gz UVKFPCKAWZFZME-GOOCMWNKSA-N 2 0 363.575 3.121 20 30 FGEDRP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245587491 713607857 /nfs/dbraw/zinc/60/78/57/713607857.db2.gz FEHSJBLAQMQNRA-YQQAZPJKSA-N 2 0 366.600 3.192 20 30 FGEDRP [NH2+]=C(NCCc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000303882759 713789395 /nfs/dbraw/zinc/78/93/95/713789395.db2.gz LUAILICNIUTRAP-UHFFFAOYSA-N 2 0 356.539 3.107 20 30 FGEDRP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000303903564 713790243 /nfs/dbraw/zinc/79/02/43/713790243.db2.gz YMARLUVAWDMWQN-ZDUSSCGKSA-N 2 0 358.408 3.434 20 30 FGEDRP C=CC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662664194 720451126 /nfs/dbraw/zinc/45/11/26/720451126.db2.gz UFIWHEWAYQJSAJ-XLIONFOSSA-N 2 0 361.555 3.336 20 30 FGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000778163981 724305485 /nfs/dbraw/zinc/30/54/85/724305485.db2.gz KMPXKTMRYIYKQB-IRXDYDNUSA-N 2 0 364.917 3.331 20 30 FGEDRP COc1cc(C#N)ccc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000121158688 494622672 /nfs/dbraw/zinc/62/26/72/494622672.db2.gz IFNFCBNBBBPZLG-ROUUACIJSA-N 2 0 371.525 3.278 20 30 FGEDRP C=CCc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(OC)c1O ZINC000093734998 494914411 /nfs/dbraw/zinc/91/44/11/494914411.db2.gz VCJLRVJBPRWYPQ-UHFFFAOYSA-N 2 0 374.525 3.206 20 30 FGEDRP CN(CCC#N)c1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000180275824 495932290 /nfs/dbraw/zinc/93/22/90/495932290.db2.gz PSBVLAZVVWHKPZ-UHFFFAOYSA-N 2 0 363.509 3.438 20 30 FGEDRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181567800 496449364 /nfs/dbraw/zinc/44/93/64/496449364.db2.gz JVJVHDQOHDHRQR-RBUKOAKNSA-N 2 0 354.542 3.233 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OCC#N)cc1 ZINC000182257110 496721184 /nfs/dbraw/zinc/72/11/84/496721184.db2.gz DNXKQSNFTHIEAV-UTKZUKDTSA-N 2 0 365.477 3.006 20 30 FGEDRP CC(C)[NH+]1CCC(N(C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279454727 497442874 /nfs/dbraw/zinc/44/28/74/497442874.db2.gz SYENAYOTOGULOV-UHFFFAOYSA-N 2 0 366.513 3.163 20 30 FGEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000280615319 497826121 /nfs/dbraw/zinc/82/61/21/497826121.db2.gz KMGOJSWJAHJTRO-DENIHFKCSA-N 2 0 357.542 3.288 20 30 FGEDRP Cc1cnccc1OC1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000330265153 498085262 /nfs/dbraw/zinc/08/52/62/498085262.db2.gz YVIARNLFOUIOPE-UHFFFAOYSA-N 2 0 374.485 3.436 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292996285 498227115 /nfs/dbraw/zinc/22/71/15/498227115.db2.gz OLDDESHXHJLEJN-KNQAVFIVSA-N 2 0 368.525 3.048 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000305071527 498734898 /nfs/dbraw/zinc/73/48/98/498734898.db2.gz TVQIVAPNESYERZ-LJQANCHMSA-N 2 0 366.509 3.124 20 30 FGEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000375594676 499536088 /nfs/dbraw/zinc/53/60/88/499536088.db2.gz BPZUMNFEABHFPK-FCHUYYIVSA-N 2 0 354.542 3.174 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](n3ccnc3C(C)C)C2)CC1 ZINC000377775976 499731928 /nfs/dbraw/zinc/73/19/28/499731928.db2.gz FMOZATBKIJNNDS-SFHVURJKSA-N 2 0 359.518 3.003 20 30 FGEDRP C=CCSc1ccccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298273 500483073 /nfs/dbraw/zinc/48/30/73/500483073.db2.gz UGMLSTJKZKDWKB-MRXNPFEDSA-N 2 0 359.539 3.367 20 30 FGEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000435727683 501018881 /nfs/dbraw/zinc/01/88/81/501018881.db2.gz DRWVAAJPNYFQHM-RBBKRZOGSA-N 2 0 357.542 3.289 20 30 FGEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1)CC(C)C ZINC000469760338 502535155 /nfs/dbraw/zinc/53/51/55/502535155.db2.gz JLINIKODYLPPNI-SFHVURJKSA-N 2 0 362.562 3.017 20 30 FGEDRP CC(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000501080796 502931666 /nfs/dbraw/zinc/93/16/66/502931666.db2.gz VMNGNFNFMZZFLE-UHFFFAOYSA-N 2 0 356.558 3.432 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000512250494 503499074 /nfs/dbraw/zinc/49/90/74/503499074.db2.gz UZYVBSIYNRFUAD-UHFFFAOYSA-N 2 0 356.514 3.331 20 30 FGEDRP N#Cc1ccc2ncc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189089 506475690 /nfs/dbraw/zinc/47/56/90/506475690.db2.gz ZNRXMNJAZUDRLO-QHCPKHFHSA-N 2 0 371.488 3.304 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595074756 507380236 /nfs/dbraw/zinc/38/02/36/507380236.db2.gz WFYZJHYXKONKJZ-GGAORHGYSA-N 2 0 361.489 3.292 20 30 FGEDRP CCC[NH+]1CCC(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160688733 705259067 /nfs/dbraw/zinc/25/90/67/705259067.db2.gz ANZZKGGOIVNNLZ-UHFFFAOYSA-N 2 0 358.408 3.434 20 30 FGEDRP C[C@H](NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000262017394 713717526 /nfs/dbraw/zinc/71/75/26/713717526.db2.gz WQWMQRQCGSLVKH-NWDGAFQWSA-N 2 0 355.313 3.443 20 30 FGEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876891660 736158364 /nfs/dbraw/zinc/15/83/64/736158364.db2.gz APMNLGWHZRSHIN-VBNZEHGJSA-N 2 0 374.287 3.058 20 30 FGEDRP CCC[N@@H+]1CC[C@H](C[NH+]=C(NCCc2cccs2)NC(C)(C)C)C1 ZINC000912505942 757340517 /nfs/dbraw/zinc/34/05/17/757340517.db2.gz JVXKAMKTHRSCHN-MRXNPFEDSA-N 2 0 350.576 3.356 20 30 FGEDRP C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000568050885 505604445 /nfs/dbraw/zinc/60/44/45/505604445.db2.gz LHBZMFQEGAGDKU-KRWDZBQOSA-N 2 0 374.492 3.057 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000072718206 494239135 /nfs/dbraw/zinc/23/91/35/494239135.db2.gz SDNVFOIGEHTCHF-MRXNPFEDSA-N 2 0 374.916 3.348 20 30 FGEDRP C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121987708 494904491 /nfs/dbraw/zinc/90/44/91/494904491.db2.gz ZVZXZPNSJNMHHN-GOSISDBHSA-N 2 0 368.525 3.473 20 30 FGEDRP C=CC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000111257423 495055493 /nfs/dbraw/zinc/05/54/93/495055493.db2.gz AAURHHNAVVLPLI-UHFFFAOYSA-N 2 0 359.539 3.072 20 30 FGEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000112658083 495218341 /nfs/dbraw/zinc/21/83/41/495218341.db2.gz YFOBCVUEOIUVHE-IBGZPJMESA-N 2 0 368.525 3.331 20 30 FGEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1 ZINC000104157970 495270307 /nfs/dbraw/zinc/27/03/07/495270307.db2.gz IJCHPONVKHZYSP-UHFFFAOYSA-N 2 0 370.497 3.472 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136866098 495406963 /nfs/dbraw/zinc/40/69/63/495406963.db2.gz JUDPERCFPCLDDG-MJGOQNOKSA-N 2 0 366.509 3.470 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000106259918 495439894 /nfs/dbraw/zinc/43/98/94/495439894.db2.gz QAGHWPCEMZFACY-HXUWFJFHSA-N 2 0 364.578 3.083 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000106327361 495444883 /nfs/dbraw/zinc/44/48/83/495444883.db2.gz UXFRBJYRNKZMMT-OAQYLSRUSA-N 2 0 370.541 3.163 20 30 FGEDRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000185811503 495733360 /nfs/dbraw/zinc/73/33/60/495733360.db2.gz ZKLKWVIXWCHTQH-AZUAARDMSA-N 2 0 371.525 3.348 20 30 FGEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152394023 496137420 /nfs/dbraw/zinc/13/74/20/496137420.db2.gz XPOSXOKMQTVLGB-VQTJNVASSA-N 2 0 370.541 3.212 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000172265021 496235634 /nfs/dbraw/zinc/23/56/34/496235634.db2.gz ZPLCEYOXNKTQTE-QGZVFWFLSA-N 2 0 358.530 3.065 20 30 FGEDRP C[NH+](CCOCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000178593837 496509610 /nfs/dbraw/zinc/50/96/10/496509610.db2.gz GBJPBHTYXIKOMY-UHFFFAOYSA-N 2 0 362.477 3.010 20 30 FGEDRP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000264110452 496814283 /nfs/dbraw/zinc/81/42/83/496814283.db2.gz OTFHEFJFKXFXIU-GOSISDBHSA-N 2 0 368.481 3.268 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000264888297 497005183 /nfs/dbraw/zinc/00/51/83/497005183.db2.gz YLTBNUGGLAJTIY-UHFFFAOYSA-N 2 0 367.537 3.024 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000265205871 497071565 /nfs/dbraw/zinc/07/15/65/497071565.db2.gz SLZCEMANZWLMHB-KNQAVFIVSA-N 2 0 372.557 3.263 20 30 FGEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000274627591 497133372 /nfs/dbraw/zinc/13/33/72/497133372.db2.gz NYUVXJSTLRCKCG-JSRJAPPDSA-N 2 0 354.542 3.006 20 30 FGEDRP C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878741 497818243 /nfs/dbraw/zinc/81/82/43/497818243.db2.gz AVNFYRRCKFDVOX-FPOVZHCZSA-N 2 0 357.542 3.396 20 30 FGEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285673256 498168243 /nfs/dbraw/zinc/16/82/43/498168243.db2.gz ZXGNMFLPGOYXKU-SJPCQFCGSA-N 2 0 360.889 3.097 20 30 FGEDRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000328889084 498975048 /nfs/dbraw/zinc/97/50/48/498975048.db2.gz QOMSKTAIBMLOSO-NEWSRXKRSA-N 2 0 367.497 3.339 20 30 FGEDRP CC[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080955 499660060 /nfs/dbraw/zinc/66/00/60/499660060.db2.gz GVUIVGIRPQASAR-SESVDKBCSA-N 2 0 351.498 3.416 20 30 FGEDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411553084 499753939 /nfs/dbraw/zinc/75/39/39/499753939.db2.gz QOKMEAUKFRSLBL-RCCFBDPRSA-N 2 0 374.554 3.215 20 30 FGEDRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000423138534 500347912 /nfs/dbraw/zinc/34/79/12/500347912.db2.gz XUMONXXTQNFPAO-PKOBYXMFSA-N 2 0 357.498 3.333 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000611622472 506233597 /nfs/dbraw/zinc/23/35/97/506233597.db2.gz LHLTUARJGOYJNC-FYYLOGMGSA-N 2 0 361.489 3.292 20 30 FGEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299517 502366774 /nfs/dbraw/zinc/36/67/74/502366774.db2.gz ZZIHMUJWVMWGQK-ROUUACIJSA-N 2 0 368.525 3.102 20 30 FGEDRP N#Cc1cc(Cl)ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000511442550 503323341 /nfs/dbraw/zinc/32/33/41/503323341.db2.gz FPBWQIYVYLFZTQ-UHFFFAOYSA-N 2 0 355.873 3.231 20 30 FGEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[NH+]1CCCCC1 ZINC000530692373 504054954 /nfs/dbraw/zinc/05/49/54/504054954.db2.gz REYRJAYAVYLLLD-UHFFFAOYSA-N 2 0 363.575 3.071 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CCC)CC1 ZINC000528447858 504228764 /nfs/dbraw/zinc/22/87/64/504228764.db2.gz HUSIKNCEBWGHSG-IFMALSPDSA-N 2 0 369.553 3.301 20 30 FGEDRP CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000532537942 504685817 /nfs/dbraw/zinc/68/58/17/504685817.db2.gz ZNXAVNOVNIEAFE-UHFFFAOYSA-N 2 0 374.554 3.293 20 30 FGEDRP CC(C)n1cc([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c2cnn(C(C)C)c2)cn1 ZINC000560165074 505008309 /nfs/dbraw/zinc/00/83/09/505008309.db2.gz BDCJYHPGUOJAGB-QZTJIDSGSA-N 2 0 356.518 3.246 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000595065404 507374578 /nfs/dbraw/zinc/37/45/78/507374578.db2.gz AYEIYWDTNSSZRQ-FOIQADDNSA-N 2 0 353.441 3.115 20 30 FGEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000262683198 713728720 /nfs/dbraw/zinc/72/87/20/713728720.db2.gz XFTUBQOFJUJPEB-INWMFGNUSA-N 2 0 354.420 3.026 20 30 FGEDRP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)[C@H]2CCSC2)c1)[C@H]1CCSC1 ZINC000878304401 736803504 /nfs/dbraw/zinc/80/35/04/736803504.db2.gz MYUIHIXLYXTJMM-OALUTQOASA-N 2 0 361.580 3.433 20 30 FGEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000120220094 495330562 /nfs/dbraw/zinc/33/05/62/495330562.db2.gz CVHCKPBRVSDDAW-HXUWFJFHSA-N 2 0 368.525 3.331 20 30 FGEDRP N#CCCCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000136570405 495388070 /nfs/dbraw/zinc/38/80/70/495388070.db2.gz WOPAGOFXFUFQTC-VXKWHMMOSA-N 2 0 371.525 3.227 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000106035391 495405903 /nfs/dbraw/zinc/40/59/03/495405903.db2.gz FAKNHAQEAZHPRQ-UHFFFAOYSA-N 2 0 373.566 3.006 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000107385321 495526776 /nfs/dbraw/zinc/52/67/76/495526776.db2.gz WKKXXJBUMHJZJZ-UHFFFAOYSA-N 2 0 374.529 3.179 20 30 FGEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000173781953 495690617 /nfs/dbraw/zinc/69/06/17/495690617.db2.gz DVZLZNSAOFDXBY-OAHLLOKOSA-N 2 0 362.905 3.204 20 30 FGEDRP CCC(CC)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000181462495 496406502 /nfs/dbraw/zinc/40/65/02/496406502.db2.gz FCVCJKJOTYKMBT-QFIPXVFZSA-N 2 0 356.558 3.479 20 30 FGEDRP C[N@@H+]1CCC[C@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248073 496815200 /nfs/dbraw/zinc/81/52/00/496815200.db2.gz XBHUSKMGZKTFNE-PZJWPPBQSA-N 2 0 363.509 3.380 20 30 FGEDRP C[N@@H+]1CCCN(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271070892 497258135 /nfs/dbraw/zinc/25/81/35/497258135.db2.gz LSOFVMAHOZVFEF-UHFFFAOYSA-N 2 0 354.542 3.008 20 30 FGEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000581997327 506109663 /nfs/dbraw/zinc/10/96/63/506109663.db2.gz WRSPOWOPTIEIID-WFAGLZIHSA-N 2 0 354.498 3.154 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328976878 499003462 /nfs/dbraw/zinc/00/34/62/499003462.db2.gz BWBSINXUVLOIPH-ABSDTBQOSA-N 2 0 361.534 3.024 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000371497097 499334512 /nfs/dbraw/zinc/33/45/12/499334512.db2.gz IYSIFPMHDDIHNH-DENIHFKCSA-N 2 0 367.537 3.016 20 30 FGEDRP CN1CC[NH+](CC2(C)CC[NH+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000375235194 499497620 /nfs/dbraw/zinc/49/76/20/499497620.db2.gz XLLWBLPSTZSBAK-UHFFFAOYSA-N 2 0 359.945 3.041 20 30 FGEDRP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000423567754 500385267 /nfs/dbraw/zinc/38/52/67/500385267.db2.gz MGZGBMYHNNDUHZ-KRWDZBQOSA-N 2 0 366.484 3.341 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431966647 500449734 /nfs/dbraw/zinc/44/97/34/500449734.db2.gz WBAYWPLTMXMMFG-ICSRJNTNSA-N 2 0 364.578 3.227 20 30 FGEDRP COc1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000442883116 500639430 /nfs/dbraw/zinc/63/94/30/500639430.db2.gz UIJAGSCJQJTROB-HDICACEKSA-N 2 0 371.525 3.278 20 30 FGEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443594233 500743125 /nfs/dbraw/zinc/74/31/25/500743125.db2.gz QSNIUYUJPYMNPL-GOSISDBHSA-N 2 0 368.525 3.473 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449083197 500920924 /nfs/dbraw/zinc/92/09/24/500920924.db2.gz SGRUOAHJIJAUBD-UHFFFAOYSA-N 2 0 354.542 3.386 20 30 FGEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000596059154 506232499 /nfs/dbraw/zinc/23/24/99/506232499.db2.gz NCFJBNXTAANXPG-HXUWFJFHSA-N 2 0 352.526 3.239 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000543207917 503680881 /nfs/dbraw/zinc/68/08/81/503680881.db2.gz WDRYLNMVTMJFFZ-OALUTQOASA-N 2 0 355.526 3.464 20 30 FGEDRP C[C@@H]1CN(CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000517629766 503789462 /nfs/dbraw/zinc/78/94/62/503789462.db2.gz BWRRCXARYFZYMZ-OKILXGFUSA-N 2 0 355.404 3.166 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000533449054 503850937 /nfs/dbraw/zinc/85/09/37/503850937.db2.gz DWOSXHRQRYBFON-UHFFFAOYSA-N 2 0 366.484 3.125 20 30 FGEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000542942324 504666599 /nfs/dbraw/zinc/66/65/99/504666599.db2.gz NOBUGGBJAMQAOC-GHTZIAJQSA-N 2 0 364.578 3.263 20 30 FGEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000558788574 505492464 /nfs/dbraw/zinc/49/24/64/505492464.db2.gz VRGQDMUTWOPYJZ-BDTNDASRSA-N 2 0 353.510 3.293 20 30 FGEDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593324126 506541781 /nfs/dbraw/zinc/54/17/81/506541781.db2.gz YFQRYYYNWQOLJI-GCJKJVERSA-N 2 0 354.542 3.423 20 30 FGEDRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593324118 506541914 /nfs/dbraw/zinc/54/19/14/506541914.db2.gz YFQRYYYNWQOLJI-AVRDEDQJSA-N 2 0 354.542 3.423 20 30 FGEDRP CSC1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC[NH+](C)CC1 ZINC000583410563 506762445 /nfs/dbraw/zinc/76/24/45/506762445.db2.gz UJNIZNFUFORQPV-UHFFFAOYSA-N 2 0 357.445 3.494 20 30 FGEDRP N#CCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000590777775 506948062 /nfs/dbraw/zinc/94/80/62/506948062.db2.gz FGTXJRWLVPSCKM-VSKRKVRLSA-N 2 0 352.526 3.007 20 30 FGEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000594437691 507133210 /nfs/dbraw/zinc/13/32/10/507133210.db2.gz KUKTZWMBBJNECH-HXUWFJFHSA-N 2 0 356.514 3.090 20 30 FGEDRP CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594440446 507133300 /nfs/dbraw/zinc/13/33/00/507133300.db2.gz CKFDBQXIBXNWHT-RTWAWAEBSA-N 2 0 370.541 3.301 20 30 FGEDRP Cn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000595000146 507348730 /nfs/dbraw/zinc/34/87/30/507348730.db2.gz CTYBISWWNFXYEE-UHFFFAOYSA-N 2 0 363.509 3.170 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000598593948 507510648 /nfs/dbraw/zinc/51/06/48/507510648.db2.gz YKGBLFSAIJWLDM-PCCBWWKXSA-N 2 0 355.526 3.274 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000598593949 507511314 /nfs/dbraw/zinc/51/13/14/507511314.db2.gz YKGBLFSAIJWLDM-QHAWAJNXSA-N 2 0 355.526 3.274 20 30 FGEDRP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000157315014 705150668 /nfs/dbraw/zinc/15/06/68/705150668.db2.gz FEHSJBLAQMQNRA-ZOBUZTSGSA-N 2 0 366.600 3.192 20 30 FGEDRP [NH2+]=C(Nc1cccc(OC(F)(F)F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000262427146 713725304 /nfs/dbraw/zinc/72/53/04/713725304.db2.gz CYFBUGPVHWVBQE-UHFFFAOYSA-N 2 0 356.392 3.329 20 30 FGEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305707469 713793247 /nfs/dbraw/zinc/79/32/47/713793247.db2.gz WNAMLIBEFFJXQI-RHSMWYFYSA-N 2 0 354.901 3.422 20 30 FGEDRP C[NH+](C)CC1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCCC1 ZINC000305796071 713793827 /nfs/dbraw/zinc/79/38/27/713793827.db2.gz ALHITJYOCMKIPS-UHFFFAOYSA-N 2 0 358.408 3.434 20 30 FGEDRP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000778163977 724305616 /nfs/dbraw/zinc/30/56/16/724305616.db2.gz KMPXKTMRYIYKQB-CALCHBBNSA-N 2 0 364.917 3.331 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000118834163 495044755 /nfs/dbraw/zinc/04/47/55/495044755.db2.gz BEWSFDQZCHASBT-HXUWFJFHSA-N 2 0 368.525 3.475 20 30 FGEDRP C=CCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000105476206 495365811 /nfs/dbraw/zinc/36/58/11/495365811.db2.gz FBDZSAPSTGRNFS-UHFFFAOYSA-N 2 0 351.922 3.022 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000182530708 495601925 /nfs/dbraw/zinc/60/19/25/495601925.db2.gz OZGNMCTYDVSMHN-UHFFFAOYSA-N 2 0 364.578 3.180 20 30 FGEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000151005248 495709485 /nfs/dbraw/zinc/70/94/85/495709485.db2.gz REBWGKXKVSRDLB-GOSISDBHSA-N 2 0 370.541 3.179 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155134130 495848958 /nfs/dbraw/zinc/84/89/58/495848958.db2.gz JTWGIJSLGQMAGJ-IRXDYDNUSA-N 2 0 351.922 3.104 20 30 FGEDRP COc1ccc(C#N)cc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000155915300 496106216 /nfs/dbraw/zinc/10/62/16/496106216.db2.gz LUUDUORUZZWWNB-ROUUACIJSA-N 2 0 371.525 3.278 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418823 497435413 /nfs/dbraw/zinc/43/54/13/497435413.db2.gz OSBIAFXCFLYMQH-XLIONFOSSA-N 2 0 366.513 3.021 20 30 FGEDRP N#Cc1cccc(OCC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940280 498764523 /nfs/dbraw/zinc/76/45/23/498764523.db2.gz PMQWZWFBWZPFIO-FCHUYYIVSA-N 2 0 361.489 3.391 20 30 FGEDRP COc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C#N ZINC000283800089 498986126 /nfs/dbraw/zinc/98/61/26/498986126.db2.gz AKCGYFIFYXGQFK-UHFFFAOYSA-N 2 0 365.477 3.330 20 30 FGEDRP C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000368069908 499261419 /nfs/dbraw/zinc/26/14/19/499261419.db2.gz NYXRCBVRYCONNB-SESVDKBCSA-N 2 0 355.526 3.006 20 30 FGEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414322900 499777795 /nfs/dbraw/zinc/77/77/95/499777795.db2.gz HVPGFLPMOZYOII-OAQYLSRUSA-N 2 0 355.526 3.218 20 30 FGEDRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C[C@H]1C ZINC000442827203 500631704 /nfs/dbraw/zinc/63/17/04/500631704.db2.gz KWKGMDIGDLMYOJ-VURPSTOHSA-N 2 0 355.526 3.478 20 30 FGEDRP N#Cc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000573566438 506212626 /nfs/dbraw/zinc/21/26/26/506212626.db2.gz AVLJBXQXYPDBIP-BGYRXZFFSA-N 2 0 362.433 3.030 20 30 FGEDRP C=CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000444630393 500869519 /nfs/dbraw/zinc/86/95/19/500869519.db2.gz ZXSMFVRLXTUGNC-GOSISDBHSA-N 2 0 354.502 3.087 20 30 FGEDRP N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC000449734903 501071369 /nfs/dbraw/zinc/07/13/69/501071369.db2.gz PHFUBAQWIGDFFZ-UHFFFAOYSA-N 2 0 353.441 3.462 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000611622476 506232817 /nfs/dbraw/zinc/23/28/17/506232817.db2.gz LHLTUARJGOYJNC-GMAHTHKFSA-N 2 0 361.489 3.292 20 30 FGEDRP CC(C)[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000481919525 501917393 /nfs/dbraw/zinc/91/73/93/501917393.db2.gz STZMTTPXABCKMX-VXKWHMMOSA-N 2 0 354.542 3.187 20 30 FGEDRP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1=O ZINC000493644202 503436599 /nfs/dbraw/zinc/43/65/99/503436599.db2.gz SEHDPEMOHDBWBV-OPYAIIAOSA-N 2 0 355.526 3.041 20 30 FGEDRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3ccc(C#N)o3)cc2)C[C@H]1C ZINC000540653133 503844887 /nfs/dbraw/zinc/84/48/87/503844887.db2.gz IEOCVNANNAZDLZ-HDICACEKSA-N 2 0 367.493 3.450 20 30 FGEDRP Cc1ccnc([C@@H]2CCN(CC#CC[N@@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018128 505056745 /nfs/dbraw/zinc/05/67/45/505056745.db2.gz VMIHISARXUTHCB-FGZHOGPDSA-N 2 0 374.532 3.376 20 30 FGEDRP C=CCC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000560527909 505115858 /nfs/dbraw/zinc/11/58/58/505115858.db2.gz GRYDXOOWEUIDDF-HXUWFJFHSA-N 2 0 354.498 3.484 20 30 FGEDRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594446837 507137673 /nfs/dbraw/zinc/13/76/73/507137673.db2.gz XSTMSLHMEVTCHO-DLBZAZTESA-N 2 0 362.543 3.049 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000594944623 507324152 /nfs/dbraw/zinc/32/41/52/507324152.db2.gz TXDOTXAMFYKCTI-QFIPXVFZSA-N 2 0 361.489 3.098 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000598725263 507569413 /nfs/dbraw/zinc/56/94/13/507569413.db2.gz WRJMXZBKKFBLCZ-PLACYPQZSA-N 2 0 355.526 3.177 20 30 FGEDRP C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602550372 507745681 /nfs/dbraw/zinc/74/56/81/507745681.db2.gz BKDAPWAYPOKVNZ-JKSUJKDBSA-N 2 0 371.312 3.124 20 30 FGEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305685419 713793270 /nfs/dbraw/zinc/79/32/70/713793270.db2.gz OLBBGHRXMVNFSC-WMLDXEAASA-N 2 0 352.885 3.273 20 30 FGEDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553252 732037867 /nfs/dbraw/zinc/03/78/67/732037867.db2.gz LLVDYVNGYYUTTK-SFHVURJKSA-N 2 0 356.495 3.120 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000108932948 494807582 /nfs/dbraw/zinc/80/75/82/494807582.db2.gz VTDKGQYYHMVXNG-LJQANCHMSA-N 2 0 367.537 3.022 20 30 FGEDRP C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462901 495365760 /nfs/dbraw/zinc/36/57/60/495365760.db2.gz SFCRDLOSGFHLCT-MRXNPFEDSA-N 2 0 352.457 3.300 20 30 FGEDRP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000114802180 495427403 /nfs/dbraw/zinc/42/74/03/495427403.db2.gz YDHCWQVTWJWOKH-KRWDZBQOSA-N 2 0 374.504 3.125 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000106275839 495441960 /nfs/dbraw/zinc/44/19/60/495441960.db2.gz DCFLGCWUOCWIHA-NRFANRHFSA-N 2 0 370.541 3.163 20 30 FGEDRP Cn1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180035504 495831609 /nfs/dbraw/zinc/83/16/09/495831609.db2.gz XMTKPCAMPWVISE-UHFFFAOYSA-N 2 0 359.477 3.310 20 30 FGEDRP Cn1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180337143 495956992 /nfs/dbraw/zinc/95/69/92/495956992.db2.gz RPZGZPNAONVNDK-UHFFFAOYSA-N 2 0 351.498 3.169 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000157397355 496469017 /nfs/dbraw/zinc/46/90/17/496469017.db2.gz JBDGLCMDCVYPMR-GOSISDBHSA-N 2 0 374.916 3.491 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248611980 497056367 /nfs/dbraw/zinc/05/63/67/497056367.db2.gz XTWLDCOXAHCGTN-RCZSKKKRSA-N 2 0 372.553 3.397 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 ZINC000267390869 497540531 /nfs/dbraw/zinc/54/05/31/497540531.db2.gz OOOKPNIMFQJGPL-OALUTQOASA-N 2 0 371.525 3.300 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246786525 497810865 /nfs/dbraw/zinc/81/08/65/497810865.db2.gz MBXRCFWYIAAZMQ-FCEUIQTBSA-N 2 0 370.537 3.104 20 30 FGEDRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000292887838 498184290 /nfs/dbraw/zinc/18/42/90/498184290.db2.gz CPPALEMJLKFXSI-UHFFFAOYSA-N 2 0 351.498 3.314 20 30 FGEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290272429 498490046 /nfs/dbraw/zinc/49/00/46/498490046.db2.gz LNLWRFNNDFSGAU-SFHVURJKSA-N 2 0 367.493 3.275 20 30 FGEDRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352007 498520553 /nfs/dbraw/zinc/52/05/53/498520553.db2.gz GCYAYOAXOLIICQ-RTBURBONSA-N 2 0 357.498 3.294 20 30 FGEDRP N#CCCCOc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000371416661 499323701 /nfs/dbraw/zinc/32/37/01/499323701.db2.gz NPBOWWBAFDMNLA-UHFFFAOYSA-N 2 0 371.525 3.303 20 30 FGEDRP C=CCOc1ccccc1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421373053 500031393 /nfs/dbraw/zinc/03/13/93/500031393.db2.gz MESOOODUGNPOIX-UHFFFAOYSA-N 2 0 357.542 3.243 20 30 FGEDRP C[N@H+](CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000429728120 500133305 /nfs/dbraw/zinc/13/33/05/500133305.db2.gz YATXNDMHPWKUPA-UHFFFAOYSA-N 2 0 362.521 3.198 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333260 500443435 /nfs/dbraw/zinc/44/34/35/500443435.db2.gz FHJOZRIGPDPHDM-APWZRJJASA-N 2 0 361.555 3.115 20 30 FGEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781558 500625394 /nfs/dbraw/zinc/62/53/94/500625394.db2.gz MYEYMJZWWUVJAG-PBHICJAKSA-N 2 0 366.431 3.239 20 30 FGEDRP COc1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N ZINC000442883120 500639445 /nfs/dbraw/zinc/63/94/45/500639445.db2.gz UIJAGSCJQJTROB-QZTJIDSGSA-N 2 0 371.525 3.278 20 30 FGEDRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000441068261 501082814 /nfs/dbraw/zinc/08/28/14/501082814.db2.gz RTNYLPBPOLGPGI-UHFFFAOYSA-N 2 0 368.569 3.478 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602728057 506275046 /nfs/dbraw/zinc/27/50/46/506275046.db2.gz HXQAODUIVLZCKH-SBHAEUEKSA-N 2 0 355.526 3.443 20 30 FGEDRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512618559 503596580 /nfs/dbraw/zinc/59/65/80/503596580.db2.gz IYGYONCZWZUYKT-GOSISDBHSA-N 2 0 366.484 3.166 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517997771 503884357 /nfs/dbraw/zinc/88/43/57/503884357.db2.gz OXWSSIWTUDLZSG-WIYYLYMNSA-N 2 0 370.541 3.162 20 30 FGEDRP C=CCc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1O ZINC000530723024 504065326 /nfs/dbraw/zinc/06/53/26/504065326.db2.gz JSUPBZKMWQLFPB-CALCHBBNSA-N 2 0 362.514 3.108 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000520692841 504558130 /nfs/dbraw/zinc/55/81/30/504558130.db2.gz HIOXVVIGQKMKBB-NRFANRHFSA-N 2 0 372.557 3.409 20 30 FGEDRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000582718453 506383958 /nfs/dbraw/zinc/38/39/58/506383958.db2.gz LXRLZFAFLWCDCY-UHFFFAOYSA-N 2 0 374.492 3.011 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000599657695 506557422 /nfs/dbraw/zinc/55/74/22/506557422.db2.gz KRUMVPNGKVMDDQ-SFHVURJKSA-N 2 0 370.541 3.301 20 30 FGEDRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCCC1)c1ccccc1 ZINC000594436222 507131384 /nfs/dbraw/zinc/13/13/84/507131384.db2.gz BWAYIYMAPDQWKX-IEBWSBKVSA-N 2 0 356.514 3.177 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000594498976 507155197 /nfs/dbraw/zinc/15/51/97/507155197.db2.gz WLUXJQDWJMKEDP-RTWAWAEBSA-N 2 0 355.526 3.345 20 30 FGEDRP N#Cc1cccnc1OC1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594937845 507320691 /nfs/dbraw/zinc/32/06/91/507320691.db2.gz JEDZGXJAILDNTL-UHFFFAOYSA-N 2 0 374.448 3.014 20 30 FGEDRP [NH2+]=C(NCCc1cccs1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303895549 713790166 /nfs/dbraw/zinc/79/01/66/713790166.db2.gz TYWSICOLTWBBNI-OAHLLOKOSA-N 2 0 362.568 3.169 20 30 FGEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000070870067 494063157 /nfs/dbraw/zinc/06/31/57/494063157.db2.gz VVLCSTSWWYROEO-GOSISDBHSA-N 2 0 370.541 3.349 20 30 FGEDRP N#Cc1ccc2ncc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)n2c1 ZINC000123199022 495095604 /nfs/dbraw/zinc/09/56/04/495095604.db2.gz PWKJGHHAZZBYJF-UHFFFAOYSA-N 2 0 359.477 3.482 20 30 FGEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2F)CC1 ZINC000106487337 495458997 /nfs/dbraw/zinc/45/89/97/495458997.db2.gz XZCFAFHNDZMTCA-UHFFFAOYSA-N 2 0 352.457 3.129 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170912573 495650228 /nfs/dbraw/zinc/65/02/28/495650228.db2.gz WEQHMYYDFFEOBT-IAGOWNOFSA-N 2 0 351.498 3.486 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000171728751 496011216 /nfs/dbraw/zinc/01/12/16/496011216.db2.gz CSVUIGJXCDAKBL-OAQYLSRUSA-N 2 0 370.541 3.082 20 30 FGEDRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000181524423 496432620 /nfs/dbraw/zinc/43/26/20/496432620.db2.gz SURVEVAXZCEUBP-QGZVFWFLSA-N 2 0 353.466 3.380 20 30 FGEDRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181569536 496450389 /nfs/dbraw/zinc/45/03/89/496450389.db2.gz PMIXGFBXBCWIJD-HSALFYBXSA-N 2 0 368.569 3.479 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000157397195 496469735 /nfs/dbraw/zinc/46/97/35/496469735.db2.gz JBDGLCMDCVYPMR-SFHVURJKSA-N 2 0 374.916 3.491 20 30 FGEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000189949867 497303975 /nfs/dbraw/zinc/30/39/75/497303975.db2.gz FZXNIYWCHOHHFU-HMFYCAOWSA-N 2 0 363.505 3.338 20 30 FGEDRP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246480603 497748766 /nfs/dbraw/zinc/74/87/66/497748766.db2.gz ADFDEEIIHUNZPP-IXDOHACOSA-N 2 0 374.554 3.291 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246786582 497810780 /nfs/dbraw/zinc/81/07/80/497810780.db2.gz MBXRCFWYIAAZMQ-NNWRFLSQSA-N 2 0 370.537 3.104 20 30 FGEDRP C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878762 497818313 /nfs/dbraw/zinc/81/83/13/497818313.db2.gz AVNFYRRCKFDVOX-PZJWPPBQSA-N 2 0 357.542 3.396 20 30 FGEDRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000362217421 498477806 /nfs/dbraw/zinc/47/78/06/498477806.db2.gz HUPKCPMDIXNWPH-UHFFFAOYSA-N 2 0 368.569 3.480 20 30 FGEDRP CN1CC[NH+](CC2(C)CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000363797495 498998808 /nfs/dbraw/zinc/99/88/08/498998808.db2.gz PCMFQWIVPFUSTG-UHFFFAOYSA-N 2 0 359.945 3.041 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342840 499393608 /nfs/dbraw/zinc/39/36/08/499393608.db2.gz KSJDLWGQZUNEAS-QIJUGHKUSA-N 2 0 370.541 3.015 20 30 FGEDRP Cc1nc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2n1CCCC2 ZINC000376161296 499587523 /nfs/dbraw/zinc/58/75/23/499587523.db2.gz HKOLKRDRPPBGEO-UHFFFAOYSA-N 2 0 363.509 3.154 20 30 FGEDRP C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377407931 499687780 /nfs/dbraw/zinc/68/77/80/499687780.db2.gz CTDMVUCMINCBHD-FXAWDEMLSA-N 2 0 359.477 3.206 20 30 FGEDRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517833 499750424 /nfs/dbraw/zinc/75/04/24/499750424.db2.gz NQYUAPZEONNAQV-WMZOPIPTSA-N 2 0 354.498 3.129 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417539097 500101111 /nfs/dbraw/zinc/10/11/11/500101111.db2.gz OBWPGNVGZCABMA-NRFANRHFSA-N 2 0 366.509 3.179 20 30 FGEDRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C[C@H]1C ZINC000442827199 500631971 /nfs/dbraw/zinc/63/19/71/500631971.db2.gz KWKGMDIGDLMYOJ-KOUHRCEDSA-N 2 0 355.526 3.478 20 30 FGEDRP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000596148052 506280145 /nfs/dbraw/zinc/28/01/45/506280145.db2.gz YRAJCWNPSCLAAS-XDNAFOTISA-N 2 0 370.545 3.051 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299513 502366410 /nfs/dbraw/zinc/36/64/10/502366410.db2.gz ZZIHMUJWVMWGQK-QZTJIDSGSA-N 2 0 368.525 3.102 20 30 FGEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000540989119 503966559 /nfs/dbraw/zinc/96/65/59/503966559.db2.gz VQVYQWOCXNVONY-HNAYVOBHSA-N 2 0 353.441 3.115 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000530939624 504136823 /nfs/dbraw/zinc/13/68/23/504136823.db2.gz HGNJSPOLCZMIAX-IRXDYDNUSA-N 2 0 359.489 3.409 20 30 FGEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)cn2)CC1 ZINC000539608590 504625193 /nfs/dbraw/zinc/62/51/93/504625193.db2.gz SYBRRWXOUBAYOL-MRXNPFEDSA-N 2 0 367.472 3.085 20 30 FGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000593323034 506540664 /nfs/dbraw/zinc/54/06/64/506540664.db2.gz ONDGLCRJQPBIQS-YTFSRNRJSA-N 2 0 366.553 3.423 20 30 FGEDRP N#Cc1ccc(OC2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000596994950 506721168 /nfs/dbraw/zinc/72/11/68/506721168.db2.gz FTMOYVSWMUKWSW-UHFFFAOYSA-N 2 0 359.433 3.182 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604193967 506745587 /nfs/dbraw/zinc/74/55/87/506745587.db2.gz MNBUUUTXRHPJJJ-NRFANRHFSA-N 2 0 370.541 3.163 20 30 FGEDRP N#CCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000590777776 506948913 /nfs/dbraw/zinc/94/89/13/506948913.db2.gz FGTXJRWLVPSCKM-YPAWHYETSA-N 2 0 352.526 3.007 20 30 FGEDRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)CC1 ZINC000594445295 507136888 /nfs/dbraw/zinc/13/68/88/507136888.db2.gz JEAVHGNAOCMRIX-HXUWFJFHSA-N 2 0 356.514 3.311 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cc2)CC1 ZINC000594931856 507319592 /nfs/dbraw/zinc/31/95/92/507319592.db2.gz SPKRWCGWWAMXLI-RTWAWAEBSA-N 2 0 353.510 3.099 20 30 FGEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)CC1 ZINC000611255171 507583736 /nfs/dbraw/zinc/58/37/36/507583736.db2.gz VDCOJZPTXNCPJB-QKDPSFTKSA-N 2 0 366.553 3.149 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000611392985 507659064 /nfs/dbraw/zinc/65/90/64/507659064.db2.gz AKBHMMGASWHQOW-XZOQPEGZSA-N 2 0 361.489 3.162 20 30 FGEDRP C[N@H+](CCOc1cccc(C[NH2+]C2CCC(C#N)CC2)c1)C1CCOCC1 ZINC000602530570 507738062 /nfs/dbraw/zinc/73/80/62/507738062.db2.gz HCPGBPKBAGLLLR-UHFFFAOYSA-N 2 0 371.525 3.348 20 30 FGEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CC[C@H](CSc2ccccc2)C1 ZINC000262432457 713725590 /nfs/dbraw/zinc/72/55/90/713725590.db2.gz FLBQDJXOWMLXSL-SFHVURJKSA-N 2 0 360.571 3.018 20 30 FGEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)N(C)Cc1ccc[nH]1 ZINC000262452309 713725953 /nfs/dbraw/zinc/72/59/53/713725953.db2.gz WGDLHHXTIWJYIF-MAUKXSAKSA-N 2 0 359.543 3.167 20 30 FGEDRP CC[NH+]=C(NCC1CCSCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262791921 713729485 /nfs/dbraw/zinc/72/94/85/713729485.db2.gz OIBSJXAUNADAJO-UHFFFAOYSA-N 2 0 366.619 3.482 20 30 FGEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000305034407 713792036 /nfs/dbraw/zinc/79/20/36/713792036.db2.gz RYUHCTBQFMLKAP-CYBMUJFWSA-N 2 0 358.408 3.290 20 30 FGEDRP CC(C)C[N@H+](CCC(=O)Nc1sccc1C#N)CC1CC[NH+](C)CC1 ZINC000879702113 737034495 /nfs/dbraw/zinc/03/44/95/737034495.db2.gz GMCMXFHQQHOFIF-UHFFFAOYSA-N 2 0 362.543 3.248 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072974957 494295703 /nfs/dbraw/zinc/29/57/03/494295703.db2.gz CUXKGSNBPSICME-RBUKOAKNSA-N 2 0 368.525 3.473 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000066960819 494445641 /nfs/dbraw/zinc/44/56/41/494445641.db2.gz UFTIOVXOCMPEGC-SFHVURJKSA-N 2 0 362.562 3.161 20 30 FGEDRP COc1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N ZINC000135130932 495254229 /nfs/dbraw/zinc/25/42/29/495254229.db2.gz CFOFMDUETHYTPI-QZTJIDSGSA-N 2 0 371.525 3.278 20 30 FGEDRP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C[NH+]1CCCC1 ZINC000113324406 495296867 /nfs/dbraw/zinc/29/68/67/495296867.db2.gz OVCONWAULYZZEW-GOSISDBHSA-N 2 0 351.498 3.285 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000106261359 495440554 /nfs/dbraw/zinc/44/05/54/495440554.db2.gz XVZFMKLOVHPWHA-UHFFFAOYSA-N 2 0 372.557 3.368 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000172185564 496199823 /nfs/dbraw/zinc/19/98/23/496199823.db2.gz AYESYVVFSNVFBQ-GOSISDBHSA-N 2 0 370.541 3.162 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513717 496427519 /nfs/dbraw/zinc/42/75/19/496427519.db2.gz KTDGCRGWCJUGJU-WOJBJXKFSA-N 2 0 368.569 3.480 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000173161095 496575466 /nfs/dbraw/zinc/57/54/66/496575466.db2.gz UYHXTDHRKORSFP-UHFFFAOYSA-N 2 0 355.482 3.265 20 30 FGEDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000182028836 496640873 /nfs/dbraw/zinc/64/08/73/496640873.db2.gz GPSRSQCJEWNLDV-NDXORKPFSA-N 2 0 357.498 3.007 20 30 FGEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OCC#N)cc1 ZINC000182257091 496720867 /nfs/dbraw/zinc/72/08/67/496720867.db2.gz DNXKQSNFTHIEAV-UWJYYQICSA-N 2 0 365.477 3.006 20 30 FGEDRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(OCC#N)cc1 ZINC000271814043 497458716 /nfs/dbraw/zinc/45/87/16/497458716.db2.gz BGTXIIKGOKYBHJ-GOSISDBHSA-N 2 0 367.493 3.423 20 30 FGEDRP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000276707949 497633839 /nfs/dbraw/zinc/63/38/39/497633839.db2.gz PDPCOBOLILYEJZ-UHFFFAOYSA-N 2 0 351.498 3.170 20 30 FGEDRP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246480589 497748569 /nfs/dbraw/zinc/74/85/69/497748569.db2.gz ADFDEEIIHUNZPP-IKGGRYGDSA-N 2 0 374.554 3.291 20 30 FGEDRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OCCCC#N ZINC000290352002 498520253 /nfs/dbraw/zinc/52/02/53/498520253.db2.gz GCYAYOAXOLIICQ-OALUTQOASA-N 2 0 357.498 3.294 20 30 FGEDRP N#Cc1cccc(OCC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940285 498764042 /nfs/dbraw/zinc/76/40/42/498764042.db2.gz PMQWZWFBWZPFIO-YADHBBJMSA-N 2 0 361.489 3.391 20 30 FGEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3nc(C#N)cs3)CC2)c1 ZINC000579290810 506137775 /nfs/dbraw/zinc/13/77/75/506137775.db2.gz MJDSIHLZZHXLNX-UHFFFAOYSA-N 2 0 369.538 3.015 20 30 FGEDRP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCCN2CCc3ccccc3C2)O1 ZINC000373222022 499458258 /nfs/dbraw/zinc/45/82/58/499458258.db2.gz ANHLTZQCIWILHF-GXRSIYKFSA-N 2 0 353.510 3.264 20 30 FGEDRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000414303702 499775790 /nfs/dbraw/zinc/77/57/90/499775790.db2.gz LWAJCQPECBNPML-KRWDZBQOSA-N 2 0 367.468 3.375 20 30 FGEDRP CN(C(=O)c1cscc1C#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000570417205 506163944 /nfs/dbraw/zinc/16/39/44/506163944.db2.gz UBUJVSCLPAEDLY-OALUTQOASA-N 2 0 374.554 3.029 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415970366 499935382 /nfs/dbraw/zinc/93/53/82/499935382.db2.gz LFRONZIRQRQKTR-UHFFFAOYSA-N 2 0 370.419 3.326 20 30 FGEDRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000437083646 500599926 /nfs/dbraw/zinc/59/99/26/500599926.db2.gz RGSMFXVMIAWLMI-UHFFFAOYSA-N 2 0 356.514 3.496 20 30 FGEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442781568 500625559 /nfs/dbraw/zinc/62/55/59/500625559.db2.gz MYEYMJZWWUVJAG-WMLDXEAASA-N 2 0 366.431 3.239 20 30 FGEDRP CC(C)(C#N)c1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000487424260 502439769 /nfs/dbraw/zinc/43/97/69/502439769.db2.gz DMPHVTUIZMQEEQ-UHFFFAOYSA-N 2 0 355.526 3.422 20 30 FGEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481175463 502772619 /nfs/dbraw/zinc/77/26/19/502772619.db2.gz KHANMUJXKYOBMB-DYXWJJEUSA-N 2 0 357.542 3.300 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C(C)C ZINC000474064685 502795997 /nfs/dbraw/zinc/79/59/97/502795997.db2.gz YNHSRZIDHSRKBI-SOAGJPPSSA-N 2 0 362.562 3.001 20 30 FGEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000542942327 504666861 /nfs/dbraw/zinc/66/68/61/504666861.db2.gz NOBUGGBJAMQAOC-NQIIRXRSSA-N 2 0 364.578 3.263 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000599657769 506557658 /nfs/dbraw/zinc/55/76/58/506557658.db2.gz LLZLMMUQLMFOFD-UWJYYQICSA-N 2 0 358.530 3.013 20 30 FGEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000261941785 713716089 /nfs/dbraw/zinc/71/60/89/713716089.db2.gz MUFGCVLNUPHMNU-KRWDZBQOSA-N 2 0 364.603 3.188 20 30 FGEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1cccs1 ZINC000304807241 713792029 /nfs/dbraw/zinc/79/20/29/713792029.db2.gz SXAOBNQQPIXDAV-WMLDXEAASA-N 2 0 362.568 3.340 20 30 FGEDRP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[C@@H]1CCCC[NH+]1C ZINC000072725068 494241879 /nfs/dbraw/zinc/24/18/79/494241879.db2.gz LDNUFEXUHJVFPY-KRWDZBQOSA-N 2 0 362.905 3.346 20 30 FGEDRP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056522673 494519562 /nfs/dbraw/zinc/51/95/62/494519562.db2.gz NFRRGHDWIZSWED-UHFFFAOYSA-N 2 0 370.541 3.214 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000106275841 495442090 /nfs/dbraw/zinc/44/20/90/495442090.db2.gz DCFLGCWUOCWIHA-OAQYLSRUSA-N 2 0 370.541 3.163 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000106328018 495445185 /nfs/dbraw/zinc/44/51/85/495445185.db2.gz VBGYJDNYDWMQNU-IBGZPJMESA-N 2 0 374.529 3.146 20 30 FGEDRP N#Cc1cccc(OCCC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182961408 495775797 /nfs/dbraw/zinc/77/57/97/495775797.db2.gz FNVYKAAZUWQFJI-UHFFFAOYSA-N 2 0 371.525 3.152 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000171728755 496010892 /nfs/dbraw/zinc/01/08/92/496010892.db2.gz CSVUIGJXCDAKBL-NRFANRHFSA-N 2 0 370.541 3.082 20 30 FGEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 ZINC000192061248 496981160 /nfs/dbraw/zinc/98/11/60/496981160.db2.gz LAKPKXIHIOXJPX-CALCHBBNSA-N 2 0 359.489 3.409 20 30 FGEDRP CC(C)[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000271084888 497260796 /nfs/dbraw/zinc/26/07/96/497260796.db2.gz SOERGPGBKUUOGQ-OOMBGRCJSA-N 2 0 368.569 3.252 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287679 497684792 /nfs/dbraw/zinc/68/47/92/497684792.db2.gz CUXKGSNBPSICME-OALUTQOASA-N 2 0 368.525 3.473 20 30 FGEDRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410121 497743041 /nfs/dbraw/zinc/74/30/41/497743041.db2.gz AJFUJIGCJLQUKA-FQEVSTJZSA-N 2 0 354.498 3.083 20 30 FGEDRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000286234748 498334915 /nfs/dbraw/zinc/33/49/15/498334915.db2.gz SYEJXVKAXOOLSU-OALUTQOASA-N 2 0 370.541 3.006 20 30 FGEDRP C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367622476 499219026 /nfs/dbraw/zinc/21/90/26/499219026.db2.gz HURUQTBDWYCDHF-HXUWFJFHSA-N 2 0 354.542 3.088 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH3+])cc1OCC ZINC000414879215 499840581 /nfs/dbraw/zinc/84/05/81/499840581.db2.gz HPVKDDOUCJJMNI-GFCCVEGCSA-N 2 0 357.292 3.097 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415038816 499857160 /nfs/dbraw/zinc/85/71/60/499857160.db2.gz NKYUIDRTEGTYJC-GXTWGEPZSA-N 2 0 369.303 3.240 20 30 FGEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423060499 500336863 /nfs/dbraw/zinc/33/68/63/500336863.db2.gz OPSOXACWDRTENL-STJZUHDESA-N 2 0 365.481 3.156 20 30 FGEDRP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000423577945 500386109 /nfs/dbraw/zinc/38/61/09/500386109.db2.gz TVHIDFLADJSRAO-KRWDZBQOSA-N 2 0 366.484 3.341 20 30 FGEDRP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340198 500444901 /nfs/dbraw/zinc/44/49/01/500444901.db2.gz MUVFPLYHFGXFJP-DLBZAZTESA-N 2 0 359.539 3.225 20 30 FGEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442781570 500625436 /nfs/dbraw/zinc/62/54/36/500625436.db2.gz MYEYMJZWWUVJAG-YOEHRIQHSA-N 2 0 366.431 3.239 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433319167 500671548 /nfs/dbraw/zinc/67/15/48/500671548.db2.gz NQJGYYPSRRIRCI-GOSISDBHSA-N 2 0 366.513 3.069 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437733161 500687451 /nfs/dbraw/zinc/68/74/51/500687451.db2.gz GACRNQCVTACRQK-FQEVSTJZSA-N 2 0 362.562 3.123 20 30 FGEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000602656284 506247250 /nfs/dbraw/zinc/24/72/50/506247250.db2.gz XSJWDFFVSXKWHR-SFHVURJKSA-N 2 0 371.525 3.348 20 30 FGEDRP C=C[C@@H]1CCCCN1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000489441236 502958619 /nfs/dbraw/zinc/95/86/19/502958619.db2.gz QPLCVNZPKQETIK-OAQYLSRUSA-N 2 0 355.526 3.070 20 30 FGEDRP C=CCOc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1Cl ZINC000538731813 504349502 /nfs/dbraw/zinc/34/95/02/504349502.db2.gz QBOOWSMLXBKVMX-UHFFFAOYSA-N 2 0 352.906 3.447 20 30 FGEDRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539495395 504589156 /nfs/dbraw/zinc/58/91/56/504589156.db2.gz PHIYKSJEGNHPFX-KDURUIRLSA-N 2 0 354.542 3.375 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000566973944 505328405 /nfs/dbraw/zinc/32/84/05/505328405.db2.gz QZDDYIBSZCKNNN-RYUDHWBXSA-N 2 0 357.292 3.238 20 30 FGEDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000597025887 506738299 /nfs/dbraw/zinc/73/82/99/506738299.db2.gz ITUUDVZMVYVPTK-UHFFFAOYSA-N 2 0 366.553 3.232 20 30 FGEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)(N2CCCCC2)CC1 ZINC000583534819 506832593 /nfs/dbraw/zinc/83/25/93/506832593.db2.gz GQYCYNVJQYVYLL-OAQYLSRUSA-N 2 0 352.526 3.085 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC(Nc3cnn(-c4cc[nH+]cc4)c3)CC2)cc1 ZINC000611480888 507701773 /nfs/dbraw/zinc/70/17/73/507701773.db2.gz ORDHZJUWDKRONW-UHFFFAOYSA-N 2 0 358.449 3.215 20 30 FGEDRP C[C@@H](CCC#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000602548695 507745887 /nfs/dbraw/zinc/74/58/87/507745887.db2.gz VLUYNYSDJUBWML-HNNXBMFYSA-N 2 0 368.447 3.487 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000121081543 700665369 /nfs/dbraw/zinc/66/53/69/700665369.db2.gz UXSFXLFTLJQHST-AEFFLSMTSA-N 2 0 365.949 3.352 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186597736 712723534 /nfs/dbraw/zinc/72/35/34/712723534.db2.gz ALZXJKULQHHOBE-ROUUACIJSA-N 2 0 365.949 3.495 20 30 FGEDRP CC[NH+]=C(NCC1CC[NH+](C)CC1)N1CCSC2(CCCCC2)C1 ZINC000261791262 713714204 /nfs/dbraw/zinc/71/42/04/713714204.db2.gz QKFFDLGRUYGSJI-UHFFFAOYSA-N 2 0 352.592 3.045 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000303869017 713789137 /nfs/dbraw/zinc/78/91/37/713789137.db2.gz ATXXAKIHTXTTRE-OKILXGFUSA-N 2 0 352.910 3.443 20 30 FGEDRP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C[NH+]1CCCCC1 ZINC000303903562 713790178 /nfs/dbraw/zinc/79/01/78/713790178.db2.gz YMARLUVAWDMWQN-CYBMUJFWSA-N 2 0 358.408 3.434 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000666855479 720991071 /nfs/dbraw/zinc/99/10/71/720991071.db2.gz UVYIMVMGHRTWBW-AWEZNQCLSA-N 2 0 369.303 3.254 20 30 FGEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193973 739228354 /nfs/dbraw/zinc/22/83/54/739228354.db2.gz GLBCJKHUXYMTIY-QZTJIDSGSA-N 2 0 361.555 3.255 20 30 FGEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901254033 743243004 /nfs/dbraw/zinc/24/30/04/743243004.db2.gz BBENRSQQFLIKEM-CRAIPNDOSA-N 2 0 367.896 3.096 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)CC1 ZINC000921538736 758738460 /nfs/dbraw/zinc/73/84/60/758738460.db2.gz BYAMVIHARXMSCZ-UHFFFAOYSA-N 2 0 354.523 3.047 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072974956 494295643 /nfs/dbraw/zinc/29/56/43/494295643.db2.gz CUXKGSNBPSICME-RTBURBONSA-N 2 0 368.525 3.473 20 30 FGEDRP CN(CCC#N)c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735116 494915045 /nfs/dbraw/zinc/91/50/45/494915045.db2.gz GESMHVLDVSNHSA-UHFFFAOYSA-N 2 0 370.541 3.113 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000158912426 495614273 /nfs/dbraw/zinc/61/42/73/495614273.db2.gz FZSWCPCMUYFVDR-IBGZPJMESA-N 2 0 374.573 3.306 20 30 FGEDRP C[C@@H](C[NH+]1CCCCCC1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186737803 496128866 /nfs/dbraw/zinc/12/88/66/496128866.db2.gz QLVVDXHXTGKRLZ-IBGZPJMESA-N 2 0 354.542 3.377 20 30 FGEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000156030761 496138203 /nfs/dbraw/zinc/13/82/03/496138203.db2.gz QIBYCYUSBQLPEH-KDURUIRLSA-N 2 0 371.525 3.148 20 30 FGEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181006302 496237819 /nfs/dbraw/zinc/23/78/19/496237819.db2.gz MDBNUTOLVLRPEV-UHFFFAOYSA-N 2 0 350.304 3.484 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000271507010 497366732 /nfs/dbraw/zinc/36/67/32/497366732.db2.gz NERRSYVIJOGGTH-ACFFJPHRSA-N 2 0 367.537 3.358 20 30 FGEDRP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246480623 497748804 /nfs/dbraw/zinc/74/88/04/497748804.db2.gz ADFDEEIIHUNZPP-ZACQAIPSSA-N 2 0 374.554 3.291 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC#Cc3ccccc3)CC2)CC1 ZINC000364474266 497974833 /nfs/dbraw/zinc/97/48/33/497974833.db2.gz YCOKZCMXAWVZSZ-UHFFFAOYSA-N 2 0 353.554 3.166 20 30 FGEDRP C[C@H](C[NH+](C)CC#CC[N@@H+](C)C[C@@H](C)c1nccs1)c1nccs1 ZINC000569632800 505980350 /nfs/dbraw/zinc/98/03/50/505980350.db2.gz MOVALISUIDEOPZ-HZPDHXFCSA-N 2 0 362.568 3.374 20 30 FGEDRP N#CC1(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000281370191 498124793 /nfs/dbraw/zinc/12/47/93/498124793.db2.gz OKFKILMHEUJWCL-OYRHEFFESA-N 2 0 353.510 3.151 20 30 FGEDRP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000290402312 498538748 /nfs/dbraw/zinc/53/87/48/498538748.db2.gz JNJVUEKWQACLFY-FQEVSTJZSA-N 2 0 363.509 3.122 20 30 FGEDRP Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329369453 499110183 /nfs/dbraw/zinc/11/01/83/499110183.db2.gz IHJPXMDVVCIJIL-FUHWJXTLSA-N 2 0 357.502 3.094 20 30 FGEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000367427931 499197812 /nfs/dbraw/zinc/19/78/12/499197812.db2.gz FGUKNKGDJDAJSY-QGZVFWFLSA-N 2 0 357.498 3.053 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000369340925 499393224 /nfs/dbraw/zinc/39/32/24/499393224.db2.gz BFJCEVKJQXHHEI-BVYCBKJFSA-N 2 0 371.525 3.348 20 30 FGEDRP CC[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080953 499660203 /nfs/dbraw/zinc/66/02/03/499660203.db2.gz GVUIVGIRPQASAR-HLAWJBBLSA-N 2 0 351.498 3.416 20 30 FGEDRP C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377407933 499687845 /nfs/dbraw/zinc/68/78/45/499687845.db2.gz CTDMVUCMINCBHD-XLIONFOSSA-N 2 0 359.477 3.206 20 30 FGEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414322898 499777639 /nfs/dbraw/zinc/77/76/39/499777639.db2.gz HVPGFLPMOZYOII-NRFANRHFSA-N 2 0 355.526 3.218 20 30 FGEDRP CC(C)C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)C(=O)NCC[NH+](C)C ZINC000482010310 501946243 /nfs/dbraw/zinc/94/62/43/501946243.db2.gz WNKQOSCXFPKCRR-RTWAWAEBSA-N 2 0 370.541 3.008 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000520696026 504559299 /nfs/dbraw/zinc/55/92/99/504559299.db2.gz SHBRIUMTVMOVDY-FQEVSTJZSA-N 2 0 364.578 3.227 20 30 FGEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000542942328 504667006 /nfs/dbraw/zinc/66/70/06/504667006.db2.gz NOBUGGBJAMQAOC-RXVVDRJESA-N 2 0 364.578 3.263 20 30 FGEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000565710340 504965766 /nfs/dbraw/zinc/96/57/66/504965766.db2.gz GXGWUYONXWXURK-YTFSRNRJSA-N 2 0 361.489 3.472 20 30 FGEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000557394201 505124138 /nfs/dbraw/zinc/12/41/38/505124138.db2.gz LRGQYFAZUMYGQL-HXUWFJFHSA-N 2 0 354.542 3.485 20 30 FGEDRP CCC1(N2CCOCC2)CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000600209605 506847568 /nfs/dbraw/zinc/84/75/68/506847568.db2.gz WCXLVYIQZVATDP-UHFFFAOYSA-N 2 0 371.525 3.446 20 30 FGEDRP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccccc2)CC1 ZINC000594924650 507318157 /nfs/dbraw/zinc/31/81/57/507318157.db2.gz KHNCYJMTCFFACF-QHCPKHFHSA-N 2 0 374.532 3.320 20 30 FGEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000598594781 507510397 /nfs/dbraw/zinc/51/03/97/507510397.db2.gz JSSFSHBMYHRXTG-IFMALSPDSA-N 2 0 355.526 3.275 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000128677622 700778218 /nfs/dbraw/zinc/77/82/18/700778218.db2.gz JSUFESAOXNOCLD-SFHVURJKSA-N 2 0 365.949 3.496 20 30 FGEDRP N#Cc1ccc([C@H](O)C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000818987569 727334846 /nfs/dbraw/zinc/33/48/46/727334846.db2.gz ZUBFPCGIVWFREE-HXUWFJFHSA-N 2 0 355.507 3.155 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121636741 494827161 /nfs/dbraw/zinc/82/71/61/494827161.db2.gz DAHFWKHJHDXUDU-QGZVFWFLSA-N 2 0 363.571 3.315 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000114197236 495353430 /nfs/dbraw/zinc/35/34/30/495353430.db2.gz GQBLOXRAEFESML-NRFANRHFSA-N 2 0 368.525 3.107 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106263990 495440977 /nfs/dbraw/zinc/44/09/77/495440977.db2.gz YLCLZYGREUWKIU-KDURUIRLSA-N 2 0 364.578 3.084 20 30 FGEDRP C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185670956 495672105 /nfs/dbraw/zinc/67/21/05/495672105.db2.gz GYHCRPBQBWVAFN-WMZOPIPTSA-N 2 0 354.498 3.129 20 30 FGEDRP C=CCOc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000185863564 495755035 /nfs/dbraw/zinc/75/50/35/495755035.db2.gz BATJSGASGXXMTL-MRXNPFEDSA-N 2 0 351.922 3.020 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180171719 495890633 /nfs/dbraw/zinc/89/06/33/495890633.db2.gz DJWZRWAOBSWGPX-GOSISDBHSA-N 2 0 351.498 3.169 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194805 495900191 /nfs/dbraw/zinc/90/01/91/495900191.db2.gz JCKLUZZFLPFKDQ-UZLBHIALSA-N 2 0 351.498 3.121 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC000171711189 496000971 /nfs/dbraw/zinc/00/09/71/496000971.db2.gz ICYIDGNWYKRATI-SFHVURJKSA-N 2 0 364.559 3.081 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000264054292 496800634 /nfs/dbraw/zinc/80/06/34/496800634.db2.gz AEACOXPEAAQCTR-UHFFFAOYSA-N 2 0 368.481 3.226 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000265205867 497071870 /nfs/dbraw/zinc/07/18/70/497071870.db2.gz SLZCEMANZWLMHB-DENIHFKCSA-N 2 0 372.557 3.263 20 30 FGEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000271020034 497246786 /nfs/dbraw/zinc/24/67/86/497246786.db2.gz JAGIHIBFAYXBAJ-UHFFFAOYSA-N 2 0 359.514 3.159 20 30 FGEDRP COCCC[NH+]1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271062485 497256540 /nfs/dbraw/zinc/25/65/40/497256540.db2.gz HJDSJPUYWQXBGT-UHFFFAOYSA-N 2 0 355.526 3.481 20 30 FGEDRP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cn2)C[C@@H](C)O1 ZINC000329236979 499080550 /nfs/dbraw/zinc/08/05/50/499080550.db2.gz JXSXEDBCTCWLOS-LMMKCTJWSA-N 2 0 374.529 3.416 20 30 FGEDRP C[C@H](CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CCOCC1 ZINC000329432883 499120897 /nfs/dbraw/zinc/12/08/97/499120897.db2.gz IUXDXSMYNYXAFZ-SJLPKXTDSA-N 2 0 374.529 3.170 20 30 FGEDRP N#Cc1c(F)ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1Cl ZINC000368460880 499298172 /nfs/dbraw/zinc/29/81/72/499298172.db2.gz FVAXOWBHFXJGHQ-UHFFFAOYSA-N 2 0 358.848 3.500 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342838 499393692 /nfs/dbraw/zinc/39/36/92/499393692.db2.gz KSJDLWGQZUNEAS-BVYCBKJFSA-N 2 0 370.541 3.015 20 30 FGEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411556596 499762684 /nfs/dbraw/zinc/76/26/84/499762684.db2.gz YEULIXPUTBFTSJ-MOPGFXCFSA-N 2 0 356.514 3.377 20 30 FGEDRP CN(c1ccccc1C[NH2+]Cc1ccc(C#N)s1)C1CC[NH+](C)CC1 ZINC000421345498 500021804 /nfs/dbraw/zinc/02/18/04/500021804.db2.gz ASQVHOOGTHLWNP-UHFFFAOYSA-N 2 0 354.523 3.440 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000493838080 503448965 /nfs/dbraw/zinc/44/89/65/503448965.db2.gz WXXOWURHAHZVNJ-GHTZIAJQSA-N 2 0 372.557 3.326 20 30 FGEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000532949942 503672142 /nfs/dbraw/zinc/67/21/42/503672142.db2.gz ORJCOMUWUOKWOE-IBGZPJMESA-N 2 0 370.541 3.374 20 30 FGEDRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccc(C#N)o3)cc2)C[C@@H]1C ZINC000540653135 503844906 /nfs/dbraw/zinc/84/49/06/503844906.db2.gz IEOCVNANNAZDLZ-ROUUACIJSA-N 2 0 367.493 3.450 20 30 FGEDRP C=C[C@@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000534694696 504217472 /nfs/dbraw/zinc/21/74/72/504217472.db2.gz DHXYVSWYDJNUAJ-PZJWPPBQSA-N 2 0 357.542 3.221 20 30 FGEDRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000542945795 504668289 /nfs/dbraw/zinc/66/82/89/504668289.db2.gz VMEAVNCRAYIBAB-UHFFFAOYSA-N 2 0 370.541 3.008 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000599659833 506559856 /nfs/dbraw/zinc/55/98/56/506559856.db2.gz KKMLQRNUGXYRHK-KRWDZBQOSA-N 2 0 364.493 3.469 20 30 FGEDRP CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662101 506563718 /nfs/dbraw/zinc/56/37/18/506563718.db2.gz YMTPSXLSAWPJNR-UHFFFAOYSA-N 2 0 364.493 3.471 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594441532 507135428 /nfs/dbraw/zinc/13/54/28/507135428.db2.gz SJMUTTFEHKFXGB-XLIONFOSSA-N 2 0 356.514 3.088 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000594500278 507157592 /nfs/dbraw/zinc/15/75/92/507157592.db2.gz LJESBIKJQJAHHE-QFIPXVFZSA-N 2 0 363.505 3.344 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000602535820 507740717 /nfs/dbraw/zinc/74/07/17/507740717.db2.gz UANSKKUXLAIBGU-CTNGQTDRSA-N 2 0 355.526 3.240 20 30 FGEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1cc(F)ccc1F ZINC000262234436 713722161 /nfs/dbraw/zinc/72/21/61/713722161.db2.gz AABOBAQKQGZOGM-UHFFFAOYSA-N 2 0 354.470 3.053 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000303869014 713789099 /nfs/dbraw/zinc/78/90/99/713789099.db2.gz ATXXAKIHTXTTRE-KBPBESRZSA-N 2 0 352.910 3.443 20 30 FGEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1cccs1 ZINC000304780615 713791832 /nfs/dbraw/zinc/79/18/32/713791832.db2.gz FZKCBSAJBZTJQN-PKOBYXMFSA-N 2 0 356.539 3.278 20 30 FGEDRP N#Cc1ccc(CN2CCC([NH2+]CCOC3CCSCC3)CC2)cc1 ZINC000898440929 742794926 /nfs/dbraw/zinc/79/49/26/742794926.db2.gz WBCJZAFZKBUCSK-UHFFFAOYSA-N 2 0 359.539 3.024 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121945548 494896026 /nfs/dbraw/zinc/89/60/26/494896026.db2.gz UYSKBTAMBHRQPK-UHFFFAOYSA-N 2 0 368.525 3.475 20 30 FGEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112631536 495214864 /nfs/dbraw/zinc/21/48/64/495214864.db2.gz WEWLHXQLIGYVJT-QGZVFWFLSA-N 2 0 356.514 3.329 20 30 FGEDRP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000114802183 495427262 /nfs/dbraw/zinc/42/72/62/495427262.db2.gz YDHCWQVTWJWOKH-QGZVFWFLSA-N 2 0 374.504 3.125 20 30 FGEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130703125 495432264 /nfs/dbraw/zinc/43/22/64/495432264.db2.gz BBKPPXVMCRCWJW-KRWDZBQOSA-N 2 0 370.541 3.035 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106263993 495441204 /nfs/dbraw/zinc/44/12/04/495441204.db2.gz YLCLZYGREUWKIU-OALUTQOASA-N 2 0 364.578 3.084 20 30 FGEDRP CC(C)(C)[NH+]1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000179594509 495653690 /nfs/dbraw/zinc/65/36/90/495653690.db2.gz MGUOVRULSNUPLX-UHFFFAOYSA-N 2 0 356.514 3.496 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000174666941 496052412 /nfs/dbraw/zinc/05/24/12/496052412.db2.gz DLVOFUFGJWZBKH-OAQYLSRUSA-N 2 0 355.526 3.198 20 30 FGEDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000175013419 496207221 /nfs/dbraw/zinc/20/72/21/496207221.db2.gz FMVOPHHMJAFZHS-PMACEKPBSA-N 2 0 351.498 3.426 20 30 FGEDRP C[NH+](C)Cc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181438781 496395596 /nfs/dbraw/zinc/39/55/96/496395596.db2.gz QPPGZCRWIYWSAR-UHFFFAOYSA-N 2 0 362.521 3.374 20 30 FGEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248009117 496942941 /nfs/dbraw/zinc/94/29/41/496942941.db2.gz LCJIDRROAJSZCW-IRFCIJBXSA-N 2 0 368.525 3.046 20 30 FGEDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000270935023 497228733 /nfs/dbraw/zinc/22/87/33/497228733.db2.gz QPYMAESWYOVRBH-UHFFFAOYSA-N 2 0 368.569 3.478 20 30 FGEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665269 497493674 /nfs/dbraw/zinc/49/36/74/497493674.db2.gz GUEAVWOMMPJAIM-SUMWQHHRSA-N 2 0 361.852 3.294 20 30 FGEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCCCC1 ZINC000263261545 497744277 /nfs/dbraw/zinc/74/42/77/497744277.db2.gz SQERUTPERFWMNU-UHFFFAOYSA-N 2 0 360.502 3.229 20 30 FGEDRP COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCCCC#N ZINC000246785647 497810858 /nfs/dbraw/zinc/81/08/58/497810858.db2.gz QIYSXMCIXAVHNP-RTBURBONSA-N 2 0 357.498 3.294 20 30 FGEDRP C[NH+](C)CCN(Cc1nccn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000575907418 506030737 /nfs/dbraw/zinc/03/07/37/506030737.db2.gz FRROOBBQLRKBPV-UHFFFAOYSA-N 2 0 373.504 3.367 20 30 FGEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000367427930 499197837 /nfs/dbraw/zinc/19/78/37/499197837.db2.gz FGUKNKGDJDAJSY-KRWDZBQOSA-N 2 0 357.498 3.053 20 30 FGEDRP COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000370235628 499200446 /nfs/dbraw/zinc/20/04/46/499200446.db2.gz HITUQZCMBIJMST-OALUTQOASA-N 2 0 366.465 3.429 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582122882 506138793 /nfs/dbraw/zinc/13/87/93/506138793.db2.gz KCUHQSPQSGOOTH-KRWDZBQOSA-N 2 0 366.513 3.077 20 30 FGEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000369341715 499393206 /nfs/dbraw/zinc/39/32/06/499393206.db2.gz GBSQMDNUAVKWOG-BVYCBKJFSA-N 2 0 356.510 3.068 20 30 FGEDRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)cc1 ZINC000373224572 499458462 /nfs/dbraw/zinc/45/84/62/499458462.db2.gz WDEFLFXVIJSAMR-MBDNFAEBSA-N 2 0 371.525 3.347 20 30 FGEDRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229931 500820527 /nfs/dbraw/zinc/82/05/27/500820527.db2.gz XVLXKYCXKLHKQP-HZPDHXFCSA-N 2 0 360.527 3.045 20 30 FGEDRP N#Cc1cccc(Cl)c1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000462788442 502573338 /nfs/dbraw/zinc/57/33/38/502573338.db2.gz BEEOQNSTPUPLSQ-UHFFFAOYSA-N 2 0 355.873 3.231 20 30 FGEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489656724 503006046 /nfs/dbraw/zinc/00/60/46/503006046.db2.gz CSUYZRBNJNDMBV-UHFFFAOYSA-N 2 0 357.542 3.255 20 30 FGEDRP C[NH+](C)C1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000541003649 503971103 /nfs/dbraw/zinc/97/11/03/503971103.db2.gz QAPPVCIWHLWKKW-UHFFFAOYSA-N 2 0 354.542 3.377 20 30 FGEDRP C[C@H]1CCC[C@H](C)[NH+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539495396 504588550 /nfs/dbraw/zinc/58/85/50/504588550.db2.gz PHIYKSJEGNHPFX-OALUTQOASA-N 2 0 354.542 3.375 20 30 FGEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000539840399 504713584 /nfs/dbraw/zinc/71/35/84/504713584.db2.gz PONFUGYKSYZFRH-UHFFFAOYSA-N 2 0 358.530 3.079 20 30 FGEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000565448626 504890137 /nfs/dbraw/zinc/89/01/37/504890137.db2.gz CBXBBKDRMSHFTA-FQEVSTJZSA-N 2 0 350.466 3.061 20 30 FGEDRP Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cc1C#N ZINC000600709543 507077152 /nfs/dbraw/zinc/07/71/52/507077152.db2.gz KWEMFRLXZBWTLD-UHFFFAOYSA-N 2 0 363.509 3.436 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000592075728 507476617 /nfs/dbraw/zinc/47/66/17/507476617.db2.gz CGCFFRJNVGBUGM-UHFFFAOYSA-N 2 0 373.541 3.178 20 30 FGEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000598617518 507520016 /nfs/dbraw/zinc/52/00/16/507520016.db2.gz JOVMRLXVHNVRAY-HXUWFJFHSA-N 2 0 355.526 3.275 20 30 FGEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000592183600 507527306 /nfs/dbraw/zinc/52/73/06/507527306.db2.gz KQSZCUKLGMTSLM-FQEVSTJZSA-N 2 0 368.525 3.055 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160289257 705249482 /nfs/dbraw/zinc/24/94/82/705249482.db2.gz YHYWVYOORDOFPL-KRWDZBQOSA-N 2 0 365.949 3.495 20 30 FGEDRP C[NH+]=C(NCC1CCSCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262759000 713728937 /nfs/dbraw/zinc/72/89/37/713728937.db2.gz FJKQWPFHVQWQRX-UHFFFAOYSA-N 2 0 352.592 3.092 20 30 FGEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@]1(C)CCCCO1 ZINC000902808501 743777218 /nfs/dbraw/zinc/77/72/18/743777218.db2.gz JTRLRWQCTIRMML-GIVPXCGWSA-N 2 0 350.547 3.371 20 30 FGEDRP C=C(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000909378383 744358463 /nfs/dbraw/zinc/35/84/63/744358463.db2.gz DBYNRCLFYTVFQD-UHFFFAOYSA-N 2 0 365.905 3.259 20 30 FGEDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000109786992 494917566 /nfs/dbraw/zinc/91/75/66/494917566.db2.gz HIQATHXZKSNBNA-UHFFFAOYSA-N 2 0 374.554 3.243 20 30 FGEDRP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122159250 494933401 /nfs/dbraw/zinc/93/34/01/494933401.db2.gz OGTJJXQIXDQNGS-UHFFFAOYSA-N 2 0 368.525 3.475 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000106034059 495404838 /nfs/dbraw/zinc/40/48/38/495404838.db2.gz ZAYOJUPYFSPBEL-FQEVSTJZSA-N 2 0 355.526 3.055 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000106259296 495439719 /nfs/dbraw/zinc/43/97/19/495439719.db2.gz DRPZPDJYKMDSEF-UHFFFAOYSA-N 2 0 370.541 3.122 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000155134440 495848778 /nfs/dbraw/zinc/84/87/78/495848778.db2.gz JTWGIJSLGQMAGJ-IAGOWNOFSA-N 2 0 351.922 3.104 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000180553737 496042021 /nfs/dbraw/zinc/04/20/21/496042021.db2.gz PTKXNTPMPOMTDJ-QGZVFWFLSA-N 2 0 353.466 3.380 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000174666927 496052985 /nfs/dbraw/zinc/05/29/85/496052985.db2.gz DLVOFUFGJWZBKH-NRFANRHFSA-N 2 0 355.526 3.198 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000177513160 496092218 /nfs/dbraw/zinc/09/22/18/496092218.db2.gz QJXUCKWVXAMJGV-RTBURBONSA-N 2 0 371.525 3.148 20 30 FGEDRP N#Cc1csc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000182050587 496649889 /nfs/dbraw/zinc/64/98/89/496649889.db2.gz KQOQAZVOCZESRK-UHFFFAOYSA-N 2 0 355.507 3.427 20 30 FGEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179252641 496721089 /nfs/dbraw/zinc/72/10/89/496721089.db2.gz GUEAVWOMMPJAIM-DYVFJYSZSA-N 2 0 361.852 3.294 20 30 FGEDRP [NH2+]=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1 ZINC000267338314 497528344 /nfs/dbraw/zinc/52/83/44/497528344.db2.gz PNSVGAPGSPBIOL-UHFFFAOYSA-N 2 0 366.509 3.485 20 30 FGEDRP C[NH+]1CCC(Oc2ccc(CNC(=[NH2+])Nc3cc(F)ccc3F)cc2)CC1 ZINC000288693257 497870146 /nfs/dbraw/zinc/87/01/46/497870146.db2.gz KHLYIOITMSZBQH-UHFFFAOYSA-N 2 0 374.435 3.365 20 30 FGEDRP COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000370235627 499200277 /nfs/dbraw/zinc/20/02/77/499200277.db2.gz HITUQZCMBIJMST-MOPGFXCFSA-N 2 0 366.465 3.429 20 30 FGEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC ZINC000367611353 499217610 /nfs/dbraw/zinc/21/76/10/499217610.db2.gz BUWTXQTYKAADTF-HCXYKTFWSA-N 2 0 357.498 3.339 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000371497099 499334705 /nfs/dbraw/zinc/33/47/05/499334705.db2.gz IYSIFPMHDDIHNH-SIKLNZKXSA-N 2 0 367.537 3.016 20 30 FGEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000375594677 499536049 /nfs/dbraw/zinc/53/60/49/499536049.db2.gz BPZUMNFEABHFPK-FGZHOGPDSA-N 2 0 354.542 3.174 20 30 FGEDRP C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000376167074 499588313 /nfs/dbraw/zinc/58/83/13/499588313.db2.gz PFSFRKAGSOYLKO-SFHVURJKSA-N 2 0 354.542 3.405 20 30 FGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000414309916 499776250 /nfs/dbraw/zinc/77/62/50/499776250.db2.gz RYAJTOMYAQCVQJ-JOCHJYFZSA-N 2 0 361.489 3.162 20 30 FGEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055286 500336180 /nfs/dbraw/zinc/33/61/80/500336180.db2.gz DASSQJRUSAQPJV-XZSMBWTPSA-N 2 0 364.493 3.191 20 30 FGEDRP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340600 500444603 /nfs/dbraw/zinc/44/46/03/500444603.db2.gz MUVFPLYHFGXFJP-SJORKVTESA-N 2 0 359.539 3.225 20 30 FGEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000435739950 501021119 /nfs/dbraw/zinc/02/11/19/501021119.db2.gz ZGOCDDYWSKSHJI-XJKSGUPXSA-N 2 0 364.287 3.476 20 30 FGEDRP C=C(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cnn(C(C)C)c1 ZINC000512527570 503577309 /nfs/dbraw/zinc/57/73/09/503577309.db2.gz USZPAPIHNYYSDC-UHFFFAOYSA-N 2 0 361.578 3.258 20 30 FGEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000542468578 504501825 /nfs/dbraw/zinc/50/18/25/504501825.db2.gz HNJBTUUAOPHBEP-UHFFFAOYSA-N 2 0 373.460 3.491 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C(C)C ZINC000520704656 504560850 /nfs/dbraw/zinc/56/08/50/504560850.db2.gz WTDWBVORGSWWHO-AZUAARDMSA-N 2 0 362.562 3.001 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000559271615 504815253 /nfs/dbraw/zinc/81/52/53/504815253.db2.gz FBYUFUGZEPTMID-QGZVFWFLSA-N 2 0 374.492 3.265 20 30 FGEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000565710339 504965719 /nfs/dbraw/zinc/96/57/19/504965719.db2.gz GXGWUYONXWXURK-XPWALMASSA-N 2 0 361.489 3.472 20 30 FGEDRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccccc2)CC1 ZINC000594924648 507317353 /nfs/dbraw/zinc/31/73/53/507317353.db2.gz KHNCYJMTCFFACF-HSZRJFAPSA-N 2 0 374.532 3.320 20 30 FGEDRP N#Cc1csc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000584439267 507344898 /nfs/dbraw/zinc/34/48/98/507344898.db2.gz MIYJVOBJCXEWNF-UHFFFAOYSA-N 2 0 370.522 3.176 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000598730338 507570254 /nfs/dbraw/zinc/57/02/54/507570254.db2.gz UCLFRRCICGNCMI-PMACEKPBSA-N 2 0 355.526 3.179 20 30 FGEDRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000611395256 507660798 /nfs/dbraw/zinc/66/07/98/507660798.db2.gz YZERGYDJGJBVAD-HXUWFJFHSA-N 2 0 350.466 3.061 20 30 FGEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896145 507731688 /nfs/dbraw/zinc/73/16/88/507731688.db2.gz HAVXCSMWPCRNSU-CGTJXYLNSA-N 2 0 367.415 3.438 20 30 FGEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CCSC2(CCCCC2)C1 ZINC000261794374 713714589 /nfs/dbraw/zinc/71/45/89/713714589.db2.gz GJYWLFSEAIZFME-KRWDZBQOSA-N 2 0 352.592 3.045 20 30 FGEDRP C[C@@H](NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000262017398 713717416 /nfs/dbraw/zinc/71/74/16/713717416.db2.gz WQWMQRQCGSLVKH-VXGBXAGGSA-N 2 0 355.313 3.443 20 30 FGEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305707899 713793397 /nfs/dbraw/zinc/79/33/97/713793397.db2.gz WNAMLIBEFFJXQI-YOEHRIQHSA-N 2 0 354.901 3.422 20 30 FGEDRP C=C(Cl)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000961370447 762747282 /nfs/dbraw/zinc/74/72/82/762747282.db2.gz CPPBACOKTXRKJX-NZSAHSFTSA-N 2 0 367.965 3.030 20 30 FGEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081568075 493917474 /nfs/dbraw/zinc/91/74/74/493917474.db2.gz GGHGHMUMDMGZMM-OAHLLOKOSA-N 2 0 362.905 3.204 20 30 FGEDRP C=CCOc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000060833576 493955970 /nfs/dbraw/zinc/95/59/70/493955970.db2.gz CPRIKBWBTLMDKZ-UHFFFAOYSA-N 2 0 365.521 3.159 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136866138 495406610 /nfs/dbraw/zinc/40/66/10/495406610.db2.gz JUDPERCFPCLDDG-HKUYNNGSSA-N 2 0 366.509 3.470 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000106330329 495446046 /nfs/dbraw/zinc/44/60/46/495446046.db2.gz IUMWWKSKPZDBSE-FQEVSTJZSA-N 2 0 364.578 3.227 20 30 FGEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000175013433 496207599 /nfs/dbraw/zinc/20/75/99/496207599.db2.gz FMVOPHHMJAFZHS-WOJBJXKFSA-N 2 0 351.498 3.426 20 30 FGEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCSCC#N)CC1 ZINC000181643723 496483300 /nfs/dbraw/zinc/48/33/00/496483300.db2.gz OQFJIFXNWATOJN-MRXNPFEDSA-N 2 0 364.534 3.265 20 30 FGEDRP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C[NH+]1CCCCC1 ZINC000278545244 497149671 /nfs/dbraw/zinc/14/96/71/497149671.db2.gz ASEJOBNEODXAKY-SFHVURJKSA-N 2 0 366.513 3.070 20 30 FGEDRP CC[NH+]1CCN(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271051787 497254763 /nfs/dbraw/zinc/25/47/63/497254763.db2.gz AMWQSFKIPZXPEV-UHFFFAOYSA-N 2 0 354.542 3.008 20 30 FGEDRP Cn1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000191283122 497768437 /nfs/dbraw/zinc/76/84/37/497768437.db2.gz UMHOKLMBSWTBKA-UHFFFAOYSA-N 2 0 366.509 3.058 20 30 FGEDRP C[N@@H+]1CCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1(C)C ZINC000282389927 498491924 /nfs/dbraw/zinc/49/19/24/498491924.db2.gz RCLZTJPAVNRYAS-UHFFFAOYSA-N 2 0 354.542 3.006 20 30 FGEDRP N#Cc1ccc(C[NH+]2CCC(NC3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000370122933 499183676 /nfs/dbraw/zinc/18/36/76/499183676.db2.gz RYYPGVIRAZRXMP-UHFFFAOYSA-N 2 0 352.526 3.129 20 30 FGEDRP COc1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1OCCCC#N ZINC000367414405 499196498 /nfs/dbraw/zinc/19/64/98/499196498.db2.gz CVSHGOALUZUJOJ-UHFFFAOYSA-N 2 0 354.454 3.200 20 30 FGEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377705917 499723102 /nfs/dbraw/zinc/72/31/02/499723102.db2.gz ZYRPESBAIPLIHL-KRWDZBQOSA-N 2 0 350.466 3.473 20 30 FGEDRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000447533725 500618976 /nfs/dbraw/zinc/61/89/76/500618976.db2.gz YUALZNASHXQYSD-JOCHJYFZSA-N 2 0 363.509 3.206 20 30 FGEDRP C[NH+]1CCC2(CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)CC1 ZINC000602877039 506334036 /nfs/dbraw/zinc/33/40/36/506334036.db2.gz KKTSPWUHQMZHSL-UHFFFAOYSA-N 2 0 374.916 3.004 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C ZINC000503433095 503408342 /nfs/dbraw/zinc/40/83/42/503408342.db2.gz BALSEBFSWJRHDE-GOSISDBHSA-N 2 0 364.578 3.293 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000493785666 503446319 /nfs/dbraw/zinc/44/63/19/503446319.db2.gz JOYGUEGYJJILDP-SJLPKXTDSA-N 2 0 362.518 3.049 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000493838082 503449125 /nfs/dbraw/zinc/44/91/25/503449125.db2.gz WXXOWURHAHZVNJ-RXVVDRJESA-N 2 0 372.557 3.326 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000493838081 503449357 /nfs/dbraw/zinc/44/93/57/503449357.db2.gz WXXOWURHAHZVNJ-NQIIRXRSSA-N 2 0 372.557 3.326 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(C#N)cs3)CC2)CC1 ZINC000538722955 504345021 /nfs/dbraw/zinc/34/50/21/504345021.db2.gz CEVVSNNDVQUXQG-UHFFFAOYSA-N 2 0 360.571 3.248 20 30 FGEDRP C[C@H]([NH2+]CCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000558738709 505479038 /nfs/dbraw/zinc/47/90/38/505479038.db2.gz XTAIGZILAFTEEM-ROUUACIJSA-N 2 0 362.477 3.448 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000599657708 506558279 /nfs/dbraw/zinc/55/82/79/506558279.db2.gz LBZBIWCQDDCANX-QGZVFWFLSA-N 2 0 364.493 3.469 20 30 FGEDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000597154931 506802642 /nfs/dbraw/zinc/80/26/42/506802642.db2.gz SXVWMKPEAMOANR-UHFFFAOYSA-N 2 0 366.553 3.234 20 30 FGEDRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)(N2CCCCC2)CC1 ZINC000583534818 506833106 /nfs/dbraw/zinc/83/31/06/506833106.db2.gz GQYCYNVJQYVYLL-NRFANRHFSA-N 2 0 352.526 3.085 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441235 507135574 /nfs/dbraw/zinc/13/55/74/507135574.db2.gz PMVRJAATWDEDAI-LVCYWYKZSA-N 2 0 370.541 3.192 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441234 507135905 /nfs/dbraw/zinc/13/59/05/507135905.db2.gz PMVRJAATWDEDAI-DBXWQHBBSA-N 2 0 370.541 3.192 20 30 FGEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000594452821 507141675 /nfs/dbraw/zinc/14/16/75/507141675.db2.gz JXXOQQKQNQLYMC-GOSISDBHSA-N 2 0 360.527 3.224 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000598725262 507569194 /nfs/dbraw/zinc/56/91/94/507569194.db2.gz WRJMXZBKKFBLCZ-IVAOSVALSA-N 2 0 355.526 3.177 20 30 FGEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1 ZINC000595896731 507732203 /nfs/dbraw/zinc/73/22/03/507732203.db2.gz WKLZREBTHCDWFC-JZXOWHBKSA-N 2 0 367.415 3.295 20 30 FGEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261860324 713715361 /nfs/dbraw/zinc/71/53/61/713715361.db2.gz ZEDVEPKAPNWFOI-SJORKVTESA-N 2 0 352.567 3.104 20 30 FGEDRP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261860320 713715473 /nfs/dbraw/zinc/71/54/73/713715473.db2.gz ZEDVEPKAPNWFOI-IRXDYDNUSA-N 2 0 352.567 3.104 20 30 FGEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262509888 713726590 /nfs/dbraw/zinc/72/65/90/713726590.db2.gz BAHQVDQAXHUWRL-CQSZACIVSA-N 2 0 369.340 3.485 20 30 FGEDRP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCCC1 ZINC000305265932 713792890 /nfs/dbraw/zinc/79/28/90/713792890.db2.gz YWDYLPMSILOHMF-CQSZACIVSA-N 2 0 358.408 3.432 20 30 FGEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305685421 713793282 /nfs/dbraw/zinc/79/32/82/713793282.db2.gz OLBBGHRXMVNFSC-YOEHRIQHSA-N 2 0 352.885 3.273 20 30 FGEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000901254065 743243125 /nfs/dbraw/zinc/24/31/25/743243125.db2.gz BBENRSQQFLIKEM-QAPCUYQASA-N 2 0 367.896 3.096 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000081100527 493833265 /nfs/dbraw/zinc/83/32/65/493833265.db2.gz VUMDUAWQDZQLGU-PBHICJAKSA-N 2 0 374.554 3.099 20 30 FGEDRP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090107159 494443470 /nfs/dbraw/zinc/44/34/70/494443470.db2.gz RZVHRDWEUZXJBO-KRWDZBQOSA-N 2 0 353.466 3.228 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)s2)[C@H](c2ccccc2)C1 ZINC000176946582 495851960 /nfs/dbraw/zinc/85/19/60/495851960.db2.gz OPCVGGDIELZENL-FQEVSTJZSA-N 2 0 354.523 3.088 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000155889007 496098786 /nfs/dbraw/zinc/09/87/86/496098786.db2.gz SXIMNRULDRTPDZ-RTBURBONSA-N 2 0 358.501 3.389 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181415193 496385436 /nfs/dbraw/zinc/38/54/36/496385436.db2.gz QZSNUGXWOZAURT-IBGZPJMESA-N 2 0 354.542 3.377 20 30 FGEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271067792 497256903 /nfs/dbraw/zinc/25/69/03/497256903.db2.gz KASUGFDEMHNBIG-RBKXMNCYSA-N 2 0 368.569 3.254 20 30 FGEDRP CN1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209168 497661628 /nfs/dbraw/zinc/66/16/28/497661628.db2.gz PFCKZPHXXJZSNP-UZLBHIALSA-N 2 0 365.506 3.440 20 30 FGEDRP N#Cc1ccc(N2CCC([NH2+]CC3([NH3+])C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000333872778 499091597 /nfs/dbraw/zinc/09/15/97/499091597.db2.gz UVIMPMNFRIPGQV-UHFFFAOYSA-N 2 0 364.537 3.270 20 30 FGEDRP CC(C)(C#N)CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367226626 499164619 /nfs/dbraw/zinc/16/46/19/499164619.db2.gz XEEBPESJCZUYEE-OAQYLSRUSA-N 2 0 354.542 3.208 20 30 FGEDRP C#CCCOc1ccc(C[NH+]2CCC(N3CC[NH+](CCC)CC3)CC2)cc1 ZINC000371328176 499310921 /nfs/dbraw/zinc/31/09/21/499310921.db2.gz SQXVDPVZZHMPLX-UHFFFAOYSA-N 2 0 369.553 3.081 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000576436592 506157677 /nfs/dbraw/zinc/15/76/77/506157677.db2.gz WXRPAZXGJHHCIO-XMMPIXPASA-N 2 0 374.532 3.473 20 30 FGEDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000411752606 499786507 /nfs/dbraw/zinc/78/65/07/499786507.db2.gz DKWQDYIYLQLWHI-HXUWFJFHSA-N 2 0 356.514 3.000 20 30 FGEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449113325 500928190 /nfs/dbraw/zinc/92/81/90/500928190.db2.gz AJGKNPPHSCPSER-UHFFFAOYSA-N 2 0 359.514 3.206 20 30 FGEDRP CN(Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459371952 501641354 /nfs/dbraw/zinc/64/13/54/501641354.db2.gz KTMPDFIIQDHMHH-UHFFFAOYSA-N 2 0 365.437 3.210 20 30 FGEDRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000539498261 504590691 /nfs/dbraw/zinc/59/06/91/504590691.db2.gz AXZIMHZLXPUCRL-FQEVSTJZSA-N 2 0 362.521 3.417 20 30 FGEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000559891943 504945051 /nfs/dbraw/zinc/94/50/51/504945051.db2.gz GYBMBHHMYDUUDO-NJYVYQBISA-N 2 0 353.510 3.197 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000567149952 505377618 /nfs/dbraw/zinc/37/76/18/505377618.db2.gz GXRHFNVZKYHRRL-ICSRJNTNSA-N 2 0 364.578 3.057 20 30 FGEDRP N#CC1(c2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000597013701 506731683 /nfs/dbraw/zinc/73/16/83/506731683.db2.gz MAXHFDCJDUXYHU-UHFFFAOYSA-N 2 0 353.510 3.319 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000605339796 507152892 /nfs/dbraw/zinc/15/28/92/507152892.db2.gz OEDHIPPKAFGFMG-UHFFFAOYSA-N 2 0 374.529 3.179 20 30 FGEDRP C[C@@H](NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000262017392 713717098 /nfs/dbraw/zinc/71/70/98/713717098.db2.gz WQWMQRQCGSLVKH-NEPJUHHUSA-N 2 0 355.313 3.443 20 30 FGEDRP C[NH+]=C(NCc1cc(F)ccc1SC)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262825377 713729767 /nfs/dbraw/zinc/72/97/67/713729767.db2.gz XZQZGVCOBWNEEE-HNNXBMFYSA-N 2 0 364.534 3.041 20 30 FGEDRP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000303900076 713790299 /nfs/dbraw/zinc/79/02/99/713790299.db2.gz WMTBWJZZWSQAKE-CYBMUJFWSA-N 2 0 358.408 3.432 20 30 FGEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303988908 713791204 /nfs/dbraw/zinc/79/12/04/713791204.db2.gz WYJXEYSWHRKFOI-JSGCOSHPSA-N 2 0 373.328 3.070 20 30 FGEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305707468 713793393 /nfs/dbraw/zinc/79/33/93/713793393.db2.gz WNAMLIBEFFJXQI-PBHICJAKSA-N 2 0 354.901 3.422 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663498494 720519984 /nfs/dbraw/zinc/51/99/84/720519984.db2.gz NOVITIQFRPOUML-OAHLLOKOSA-N 2 0 371.319 3.486 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000843106554 730585602 /nfs/dbraw/zinc/58/56/02/730585602.db2.gz MMWYXIKDYIODSD-UHFFFAOYSA-N 2 0 369.303 3.382 20 30 FGEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876891657 736158583 /nfs/dbraw/zinc/15/85/83/736158583.db2.gz APMNLGWHZRSHIN-KCXAZCMYSA-N 2 0 374.287 3.058 20 30 FGEDRP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@]1(C)CCCCO1 ZINC000902880088 743783428 /nfs/dbraw/zinc/78/34/28/743783428.db2.gz CLSCHJAQSIEJHA-ANULTFPQSA-N 2 0 350.547 3.248 20 30 FGEDRP C=CCN1CCC([NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924983058 759427562 /nfs/dbraw/zinc/42/75/62/759427562.db2.gz ARKSGLDUVGLNFC-KRWDZBQOSA-N 2 0 350.304 3.462 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180553211 496041293 /nfs/dbraw/zinc/04/12/93/496041293.db2.gz VGBNGPALJJWZDB-KRWDZBQOSA-N 2 0 353.466 3.380 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175474015 496406432 /nfs/dbraw/zinc/40/64/32/496406432.db2.gz NUJPXDINCKDGMV-LJQANCHMSA-N 2 0 372.557 3.237 20 30 FGEDRP N#Cc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000182048885 496649587 /nfs/dbraw/zinc/64/95/87/496649587.db2.gz APLMYYIEIGIROL-UHFFFAOYSA-N 2 0 355.507 3.427 20 30 FGEDRP COc1ccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000264067919 496803945 /nfs/dbraw/zinc/80/39/45/496803945.db2.gz FKFJGVIWQQPUKA-OAHLLOKOSA-N 2 0 374.510 3.329 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](C)C1 ZINC000279418821 497435272 /nfs/dbraw/zinc/43/52/72/497435272.db2.gz OSBIAFXCFLYMQH-FXAWDEMLSA-N 2 0 366.513 3.021 20 30 FGEDRP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000245903510 497565764 /nfs/dbraw/zinc/56/57/64/497565764.db2.gz BOOAWOBIXQCEFL-RTWAWAEBSA-N 2 0 355.526 3.218 20 30 FGEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936064 497578403 /nfs/dbraw/zinc/57/84/03/497578403.db2.gz JCKLUZZFLPFKDQ-OXJNMPFZSA-N 2 0 351.498 3.121 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287666 497685099 /nfs/dbraw/zinc/68/50/99/497685099.db2.gz CUXKGSNBPSICME-MOPGFXCFSA-N 2 0 368.525 3.473 20 30 FGEDRP N#Cc1ccccc1CSCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298444136 498774000 /nfs/dbraw/zinc/77/40/00/498774000.db2.gz NOZBANUGCZZOHR-UHFFFAOYSA-N 2 0 352.507 3.445 20 30 FGEDRP C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000369908116 499149825 /nfs/dbraw/zinc/14/98/25/499149825.db2.gz JLSSEDGSQAJLQF-SFHVURJKSA-N 2 0 354.542 3.088 20 30 FGEDRP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC ZINC000367611355 499217342 /nfs/dbraw/zinc/21/73/42/499217342.db2.gz BUWTXQTYKAADTF-NCXUSEDFSA-N 2 0 357.498 3.339 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000371158323 499294533 /nfs/dbraw/zinc/29/45/33/499294533.db2.gz RXRKVNZJXROBQY-UHFFFAOYSA-N 2 0 372.532 3.325 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336428 499422342 /nfs/dbraw/zinc/42/23/42/499422342.db2.gz GNODZAFBXYHPJO-YFVAEKQCSA-N 2 0 355.526 3.467 20 30 FGEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126210 500631658 /nfs/dbraw/zinc/63/16/58/500631658.db2.gz NMVNTAGGTNPALR-UHFFFAOYSA-N 2 0 367.537 3.175 20 30 FGEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000435739947 501020733 /nfs/dbraw/zinc/02/07/33/501020733.db2.gz ZGOCDDYWSKSHJI-BBRMVZONSA-N 2 0 364.287 3.476 20 30 FGEDRP N#Cc1cccc(OCCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471029503 501896852 /nfs/dbraw/zinc/89/68/52/501896852.db2.gz QDRCOPYSDNRKIC-SZPZYZBQSA-N 2 0 361.489 3.391 20 30 FGEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489677720 503009274 /nfs/dbraw/zinc/00/92/74/503009274.db2.gz LOTVOFGSKMDLQI-FQEVSTJZSA-N 2 0 369.553 3.420 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)CC1 ZINC000493785664 503445022 /nfs/dbraw/zinc/44/50/22/503445022.db2.gz JOYGUEGYJJILDP-AEFFLSMTSA-N 2 0 362.518 3.049 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000543206963 503679507 /nfs/dbraw/zinc/67/95/07/503679507.db2.gz IBHWHZJRFBACEK-UHFFFAOYSA-N 2 0 368.569 3.381 20 30 FGEDRP Cc1ccc(C(C)(C)[NH2+]CC#CC[NH2+]C(C)(C)c2ccc(C)nc2)cn1 ZINC000560162343 505007681 /nfs/dbraw/zinc/00/76/81/505007681.db2.gz PGSILCVPFFEFBL-UHFFFAOYSA-N 2 0 350.510 3.446 20 30 FGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000593323767 506542005 /nfs/dbraw/zinc/54/20/05/506542005.db2.gz WRMKNVFREYYWFT-BHIFYINESA-N 2 0 352.526 3.033 20 30 FGEDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593324128 506542328 /nfs/dbraw/zinc/54/23/28/506542328.db2.gz YFQRYYYNWQOLJI-PGRDOPGGSA-N 2 0 354.542 3.423 20 30 FGEDRP C[C@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCCC1)c1ccccc1 ZINC000594436224 507131635 /nfs/dbraw/zinc/13/16/35/507131635.db2.gz BWAYIYMAPDQWKX-PKOBYXMFSA-N 2 0 356.514 3.177 20 30 FGEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000614185850 507399055 /nfs/dbraw/zinc/39/90/55/507399055.db2.gz PDVLZCWRDRLGLF-UHFFFAOYSA-N 2 0 368.569 3.337 20 30 FGEDRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289679 507448547 /nfs/dbraw/zinc/44/85/47/507448547.db2.gz PUQIDRDQKGZEKZ-PMACEKPBSA-N 2 0 354.542 3.044 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000611394617 507661556 /nfs/dbraw/zinc/66/15/56/507661556.db2.gz TUDZIGMPQFREKE-BDTNDASRSA-N 2 0 353.510 3.293 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155749451 705089769 /nfs/dbraw/zinc/08/97/69/705089769.db2.gz HXULFYVTXSCTHN-MSOLQXFVSA-N 2 0 365.949 3.495 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160697456 705259052 /nfs/dbraw/zinc/25/90/52/705259052.db2.gz PGKHXVIPLOLFIM-ZDUSSCGKSA-N 2 0 358.408 3.432 20 30 FGEDRP CC[NH+]=C(NCC1CCSCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262818556 713729796 /nfs/dbraw/zinc/72/97/96/713729796.db2.gz WKKMCYMRNIIGRP-UHFFFAOYSA-N 2 0 352.592 3.092 20 30 FGEDRP CCC[NH+]1CCC(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000303898991 713790200 /nfs/dbraw/zinc/79/02/00/713790200.db2.gz VWEGLQXJOWHCSB-UHFFFAOYSA-N 2 0 358.408 3.434 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757195 717599049 /nfs/dbraw/zinc/59/90/49/717599049.db2.gz IJBZDFXFCDANBV-KRWDZBQOSA-N 2 0 361.555 3.069 20 30 FGEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000764841055 723452097 /nfs/dbraw/zinc/45/20/97/723452097.db2.gz QMXOZMTXNFKSBG-QGZVFWFLSA-N 2 0 365.949 3.495 20 30 FGEDRP FC1(F)[C@@H]2C[NH+](CC3CC[NH2+]CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923272234 759094054 /nfs/dbraw/zinc/09/40/54/759094054.db2.gz FCARUGPLIYMVBD-NXEZZACHSA-N 2 0 366.296 3.089 20 30 FGEDRP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000056521955 494519929 /nfs/dbraw/zinc/51/99/29/494519929.db2.gz VDHGOUXHXZUEFO-UHFFFAOYSA-N 2 0 370.541 3.214 20 30 FGEDRP N#CCCCOc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093734996 494914686 /nfs/dbraw/zinc/91/46/86/494914686.db2.gz MLWQFIGBDLTCBS-UHFFFAOYSA-N 2 0 371.525 3.446 20 30 FGEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000104180808 495270647 /nfs/dbraw/zinc/27/06/47/495270647.db2.gz AQLXYEPRSJPDEG-UHFFFAOYSA-N 2 0 358.511 3.396 20 30 FGEDRP C[NH+]1CCC(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000113336177 495298009 /nfs/dbraw/zinc/29/80/09/495298009.db2.gz DVBRUJTZEPGDGZ-UHFFFAOYSA-N 2 0 351.498 3.285 20 30 FGEDRP COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694849 495684092 /nfs/dbraw/zinc/68/40/92/495684092.db2.gz LMLQPQVGJBTMRD-FUHWJXTLSA-N 2 0 357.498 3.188 20 30 FGEDRP C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719284 495695862 /nfs/dbraw/zinc/69/58/62/495695862.db2.gz FEUYMSYMMSCAMW-ZBFHGGJFSA-N 2 0 360.527 3.191 20 30 FGEDRP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179932094 495788651 /nfs/dbraw/zinc/78/86/51/495788651.db2.gz HFRXNZPWZJYVFO-UHFFFAOYSA-N 2 0 363.509 3.267 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000177488927 496083901 /nfs/dbraw/zinc/08/39/01/496083901.db2.gz RUYCGUNHOXUFDV-RTBURBONSA-N 2 0 371.525 3.148 20 30 FGEDRP C[NH+](C)CC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000183955259 496175229 /nfs/dbraw/zinc/17/52/29/496175229.db2.gz CQHHXRWAHPMNMA-UHFFFAOYSA-N 2 0 354.542 3.234 20 30 FGEDRP N#Cc1ccc2ncc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)n2c1 ZINC000172339134 496259919 /nfs/dbraw/zinc/25/99/19/496259919.db2.gz TVAFETQZPWTKGD-UHFFFAOYSA-N 2 0 359.477 3.208 20 30 FGEDRP CC[N@H+](Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1)C(C)C ZINC000264268348 496857316 /nfs/dbraw/zinc/85/73/16/496857316.db2.gz RFAGGTCHZYVFGT-UHFFFAOYSA-N 2 0 358.530 3.224 20 30 FGEDRP C[NH+](C)CCC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191777609 496886064 /nfs/dbraw/zinc/88/60/64/496886064.db2.gz CZYIKFLPVXKZGS-UHFFFAOYSA-N 2 0 350.304 3.484 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1 ZINC000265205878 497071203 /nfs/dbraw/zinc/07/12/03/497071203.db2.gz SLZCEMANZWLMHB-UGKGYDQZSA-N 2 0 372.557 3.263 20 30 FGEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000271097172 497262925 /nfs/dbraw/zinc/26/29/25/497262925.db2.gz ZUZZWNBSYOSHOZ-VWRAKTAISA-N 2 0 367.537 3.481 20 30 FGEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266749981 497411559 /nfs/dbraw/zinc/41/15/59/497411559.db2.gz NSQNEWNLUGXCGG-OAHLLOKOSA-N 2 0 358.511 3.254 20 30 FGEDRP [NH2+]=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)NC1CCCCCC1 ZINC000262445013 497558368 /nfs/dbraw/zinc/55/83/68/497558368.db2.gz IOAOEDAGWSTMTF-UHFFFAOYSA-N 2 0 360.468 3.419 20 30 FGEDRP C[N@H+](C[C@H]1CC12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2)C1CC1 ZINC000362105079 498466043 /nfs/dbraw/zinc/46/60/43/498466043.db2.gz FTJBFTXGGLTARZ-MRXNPFEDSA-N 2 0 372.538 3.145 20 30 FGEDRP O=C(NCc1cccc(-n2ccnc2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329417725 499118425 /nfs/dbraw/zinc/11/84/25/499118425.db2.gz GMXJXJSXYWOEPE-IBGZPJMESA-N 2 0 367.497 3.237 20 30 FGEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000375594679 499536101 /nfs/dbraw/zinc/53/61/01/499536101.db2.gz BPZUMNFEABHFPK-YADHBBJMSA-N 2 0 354.542 3.174 20 30 FGEDRP CC(C)c1nccn1[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785279 499555687 /nfs/dbraw/zinc/55/56/87/499555687.db2.gz BCKJMWRBHFCVBO-ZWKOTPCHSA-N 2 0 371.529 3.375 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)C2)c(F)c1 ZINC000579342538 506151689 /nfs/dbraw/zinc/15/16/89/506151689.db2.gz VRVBZXFYGWONFJ-YSSFQJQWSA-N 2 0 350.441 3.401 20 30 FGEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055279 500335961 /nfs/dbraw/zinc/33/59/61/500335961.db2.gz DASSQJRUSAQPJV-AOUGCYQESA-N 2 0 364.493 3.191 20 30 FGEDRP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000423567768 500385402 /nfs/dbraw/zinc/38/54/02/500385402.db2.gz MGZGBMYHNNDUHZ-QGZVFWFLSA-N 2 0 366.484 3.341 20 30 FGEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC[NH+]1CCCC1 ZINC000436187009 501085861 /nfs/dbraw/zinc/08/58/61/501085861.db2.gz QSBRSNRDUNOUHM-UHFFFAOYSA-N 2 0 363.575 3.071 20 30 FGEDRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000596059245 506233540 /nfs/dbraw/zinc/23/35/40/506233540.db2.gz NQXGRLFBONSAFC-IBGZPJMESA-N 2 0 363.509 3.170 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)C(C)C ZINC000455571069 501337375 /nfs/dbraw/zinc/33/73/75/501337375.db2.gz YEXKWRJOZYAVEE-FQEVSTJZSA-N 2 0 362.562 3.001 20 30 FGEDRP CO[C@@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000463280744 502744291 /nfs/dbraw/zinc/74/42/91/502744291.db2.gz JKMJQCMSEDUBBZ-KRWDZBQOSA-N 2 0 355.404 3.080 20 30 FGEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489681606 503009663 /nfs/dbraw/zinc/00/96/63/503009663.db2.gz FLAWKSAUZSYBQS-UHFFFAOYSA-N 2 0 355.526 3.031 20 30 FGEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511842358 503399116 /nfs/dbraw/zinc/39/91/16/503399116.db2.gz JYPMEJAIGFIHDX-FQEVSTJZSA-N 2 0 362.521 3.369 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000493785665 503446124 /nfs/dbraw/zinc/44/61/24/503446124.db2.gz JOYGUEGYJJILDP-FUHWJXTLSA-N 2 0 362.518 3.049 20 30 FGEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000540989120 503966134 /nfs/dbraw/zinc/96/61/34/503966134.db2.gz VQVYQWOCXNVONY-KXBFYZLASA-N 2 0 353.441 3.115 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)C ZINC000520704659 504560976 /nfs/dbraw/zinc/56/09/76/504560976.db2.gz WTDWBVORGSWWHO-UYAOXDASSA-N 2 0 362.562 3.001 20 30 FGEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593321371 506538990 /nfs/dbraw/zinc/53/89/90/506538990.db2.gz IQBWZHYUGPYRRD-JPYJTQIMSA-N 2 0 362.521 3.071 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000594919567 507315742 /nfs/dbraw/zinc/31/57/42/507315742.db2.gz BNAPEXCSIOFFRG-RXVVDRJESA-N 2 0 355.526 3.468 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cc2)CC1 ZINC000594931857 507319781 /nfs/dbraw/zinc/31/97/81/507319781.db2.gz SPKRWCGWWAMXLI-SFTDATJTSA-N 2 0 353.510 3.099 20 30 FGEDRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594953933 507329378 /nfs/dbraw/zinc/32/93/78/507329378.db2.gz KCLBESYFVWSLOT-UHFFFAOYSA-N 2 0 364.493 3.257 20 30 FGEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C[NH+]1CCCCC1 ZINC000160684194 705259253 /nfs/dbraw/zinc/25/92/53/705259253.db2.gz QNTSVUKJNSXLGM-ZDUSSCGKSA-N 2 0 358.408 3.434 20 30 FGEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262049701 713717766 /nfs/dbraw/zinc/71/77/66/713717766.db2.gz VOAMXVHIJMLHNZ-DYVFJYSZSA-N 2 0 352.885 3.319 20 30 FGEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@]1(C)CCCCO1 ZINC000902808502 743777293 /nfs/dbraw/zinc/77/72/93/743777293.db2.gz JTRLRWQCTIRMML-HLAWJBBLSA-N 2 0 350.547 3.371 20 30 FGEDRP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000108932949 494807641 /nfs/dbraw/zinc/80/76/41/494807641.db2.gz VTDKGQYYHMVXNG-IBGZPJMESA-N 2 0 367.537 3.022 20 30 FGEDRP COc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)N2CCCCC2)cc1OC ZINC000104154296 495269744 /nfs/dbraw/zinc/26/97/44/495269744.db2.gz GQUHWRRECBXBOY-MRXNPFEDSA-N 2 0 372.469 3.251 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000106269111 495441878 /nfs/dbraw/zinc/44/18/78/495441878.db2.gz LUEPHJDXJVJOIO-LJQANCHMSA-N 2 0 374.529 3.065 20 30 FGEDRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766604 495718834 /nfs/dbraw/zinc/71/88/34/495718834.db2.gz JHXXREMSGWJFMC-SJLPKXTDSA-N 2 0 354.498 3.129 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539215 496036341 /nfs/dbraw/zinc/03/63/41/496036341.db2.gz ZYXZCEKFQMENIS-LQWHRVPQSA-N 2 0 359.514 3.377 20 30 FGEDRP C[C@H](C[NH+]1CCCCCC1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186737823 496129251 /nfs/dbraw/zinc/12/92/51/496129251.db2.gz QLVVDXHXTGKRLZ-LJQANCHMSA-N 2 0 354.542 3.377 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000158212486 496650823 /nfs/dbraw/zinc/65/08/23/496650823.db2.gz DJBZODCOCNMZRI-UHFFFAOYSA-N 2 0 372.557 3.237 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002681 496748369 /nfs/dbraw/zinc/74/83/69/496748369.db2.gz PCHHCWLOOYZZFX-ICSRJNTNSA-N 2 0 368.525 3.473 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291558 496876796 /nfs/dbraw/zinc/87/67/96/496876796.db2.gz LLOHKKNLCCLIBZ-SFHVURJKSA-N 2 0 352.482 3.082 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271911811 497486172 /nfs/dbraw/zinc/48/61/72/497486172.db2.gz FCHNMZFTMIRRDG-KRWDZBQOSA-N 2 0 366.484 3.296 20 30 FGEDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000364940124 498219665 /nfs/dbraw/zinc/21/96/65/498219665.db2.gz BXKVCTIQISKNCI-UHFFFAOYSA-N 2 0 368.569 3.337 20 30 FGEDRP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000370675346 499243135 /nfs/dbraw/zinc/24/31/35/499243135.db2.gz DSXNFCJCOJNGTJ-XPWALMASSA-N 2 0 361.489 3.046 20 30 FGEDRP C=C(C)[C@@H]([NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000423049697 500335851 /nfs/dbraw/zinc/33/58/51/500335851.db2.gz KGIOCFRIFWQYHQ-KBXCAEBGSA-N 2 0 366.452 3.493 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437733163 500687504 /nfs/dbraw/zinc/68/75/04/500687504.db2.gz GACRNQCVTACRQK-HXUWFJFHSA-N 2 0 362.562 3.123 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000611622477 506233482 /nfs/dbraw/zinc/23/34/82/506233482.db2.gz LHLTUARJGOYJNC-JTHBVZDNSA-N 2 0 361.489 3.292 20 30 FGEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459732715 501705656 /nfs/dbraw/zinc/70/56/56/501705656.db2.gz MPUUPVKIXCZCIF-GOSISDBHSA-N 2 0 351.498 3.285 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)CC[NH+]2CCCCCC2)CC1 ZINC000460251923 501772014 /nfs/dbraw/zinc/77/20/14/501772014.db2.gz AEUPSVCBPGZTOM-UHFFFAOYSA-N 2 0 364.578 3.325 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728059 506275324 /nfs/dbraw/zinc/27/53/24/506275324.db2.gz HXQAODUIVLZCKH-ZVDOUQERSA-N 2 0 355.526 3.443 20 30 FGEDRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507602218 503329572 /nfs/dbraw/zinc/32/95/72/503329572.db2.gz PPQDUAYTXYTEQX-ORFBVSJDSA-N 2 0 355.526 3.073 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000517997768 503884889 /nfs/dbraw/zinc/88/48/89/503884889.db2.gz OXWSSIWTUDLZSG-GHTZIAJQSA-N 2 0 370.541 3.162 20 30 FGEDRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)CC1 ZINC000549764843 504891687 /nfs/dbraw/zinc/89/16/87/504891687.db2.gz UXZLGCHRXXOUAR-UHFFFAOYSA-N 2 0 374.492 3.123 20 30 FGEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000588959859 506395067 /nfs/dbraw/zinc/39/50/67/506395067.db2.gz VNIQMFUYNCZEFJ-OAQYLSRUSA-N 2 0 364.493 3.451 20 30 FGEDRP CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029829 506764907 /nfs/dbraw/zinc/76/49/07/506764907.db2.gz NASIAPHOVFHKEN-UHFFFAOYSA-N 2 0 370.541 3.255 20 30 FGEDRP N#CCN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000590777772 506948254 /nfs/dbraw/zinc/94/82/54/506948254.db2.gz FGTXJRWLVPSCKM-BDTNDASRSA-N 2 0 352.526 3.007 20 30 FGEDRP CCC1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000600724573 507083162 /nfs/dbraw/zinc/08/31/62/507083162.db2.gz BHHOVGLVKKBDBN-HXUWFJFHSA-N 2 0 355.526 3.323 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440978 507135046 /nfs/dbraw/zinc/13/50/46/507135046.db2.gz KIPPFECLZNSZIJ-DBXWQHBBSA-N 2 0 370.541 3.192 20 30 FGEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000594445343 507137655 /nfs/dbraw/zinc/13/76/55/507137655.db2.gz DGLKHZMJFLUHKD-QZTJIDSGSA-N 2 0 362.905 3.004 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000594917949 507313047 /nfs/dbraw/zinc/31/30/47/507313047.db2.gz MMCRSHIXGZZHFD-UHFFFAOYSA-N 2 0 374.532 3.149 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595348081 507467423 /nfs/dbraw/zinc/46/74/23/507467423.db2.gz YSTIABYCFARTSW-UHFFFAOYSA-N 2 0 368.569 3.229 20 30 FGEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305685417 713793201 /nfs/dbraw/zinc/79/32/01/713793201.db2.gz OLBBGHRXMVNFSC-RHSMWYFYSA-N 2 0 352.885 3.273 20 30 FGEDRP C=CC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000662664192 720451014 /nfs/dbraw/zinc/45/10/14/720451014.db2.gz UFIWHEWAYQJSAJ-FXAWDEMLSA-N 2 0 361.555 3.336 20 30 FGEDRP CN(C)C(NCc1ccccc1)=[NH+]CC1([NH+]2CCSCC2)CCCC1 ZINC000849069118 731225782 /nfs/dbraw/zinc/22/57/82/731225782.db2.gz OAXOAMMVKSMNMA-UHFFFAOYSA-N 2 0 360.571 3.055 20 30 FGEDRP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)[C@@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000878304402 736803303 /nfs/dbraw/zinc/80/33/03/736803303.db2.gz MYUIHIXLYXTJMM-RTBURBONSA-N 2 0 361.580 3.433 20 30 FGEDRP C=CCOc1ccccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060833595 493955940 /nfs/dbraw/zinc/95/59/40/493955940.db2.gz XHVQPOIBPGAXFR-UHFFFAOYSA-N 2 0 365.521 3.159 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965526 494293485 /nfs/dbraw/zinc/29/34/85/494293485.db2.gz PCHHCWLOOYZZFX-AZUAARDMSA-N 2 0 368.525 3.473 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)CC1 ZINC000111496060 495081987 /nfs/dbraw/zinc/08/19/87/495081987.db2.gz LZQNSDHWASFUOD-GOSISDBHSA-N 2 0 364.578 3.227 20 30 FGEDRP CC(C)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)N1CCc2ccccc2C1 ZINC000123222285 495098934 /nfs/dbraw/zinc/09/89/34/495098934.db2.gz JSZWOLWHMDBKOH-JOCHJYFZSA-N 2 0 373.504 3.378 20 30 FGEDRP N#Cc1ccc(NC(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1Cl ZINC000103482410 495241779 /nfs/dbraw/zinc/24/17/79/495241779.db2.gz JKXZCXOSDFEWOB-UHFFFAOYSA-N 2 0 374.916 3.348 20 30 FGEDRP COc1ccc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000130093482 495340863 /nfs/dbraw/zinc/34/08/63/495340863.db2.gz XUMSGWSTLAIQFC-UHFFFAOYSA-N 2 0 350.466 3.310 20 30 FGEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000106245446 495439626 /nfs/dbraw/zinc/43/96/26/495439626.db2.gz ZOTRMASCPCGUNG-UHFFFAOYSA-N 2 0 357.542 3.291 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000171704633 495996939 /nfs/dbraw/zinc/99/69/39/495996939.db2.gz LYFYUQJPGAWBRR-UHFFFAOYSA-N 2 0 370.541 3.122 20 30 FGEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181699725 496509081 /nfs/dbraw/zinc/50/90/81/496509081.db2.gz RSAQJQUVVPBRDO-OAQYLSRUSA-N 2 0 354.542 3.233 20 30 FGEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000278678322 497187713 /nfs/dbraw/zinc/18/77/13/497187713.db2.gz OWDMVMKZXYNFSJ-UHFFFAOYSA-N 2 0 374.492 3.210 20 30 FGEDRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(C#N)cc1 ZINC000278771292 497214971 /nfs/dbraw/zinc/21/49/71/497214971.db2.gz PGSJNKAEPGXPSD-NRFANRHFSA-N 2 0 364.493 3.091 20 30 FGEDRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438355 499121744 /nfs/dbraw/zinc/12/17/44/499121744.db2.gz APWWJQIWNZUPME-DLBZAZTESA-N 2 0 372.513 3.206 20 30 FGEDRP C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367622475 499218838 /nfs/dbraw/zinc/21/88/38/499218838.db2.gz HURUQTBDWYCDHF-FQEVSTJZSA-N 2 0 354.542 3.088 20 30 FGEDRP C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)s1 ZINC000376166410 499588194 /nfs/dbraw/zinc/58/81/94/499588194.db2.gz LVGZQDGCWDMCSK-MRXNPFEDSA-N 2 0 360.571 3.467 20 30 FGEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000378167302 499761801 /nfs/dbraw/zinc/76/18/01/499761801.db2.gz HCALRYLJWUIIHH-HXUWFJFHSA-N 2 0 354.542 3.088 20 30 FGEDRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421353956 500023897 /nfs/dbraw/zinc/02/38/97/500023897.db2.gz GPWSDQNKUOKKOY-UHFFFAOYSA-N 2 0 353.441 3.460 20 30 FGEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422976172 500326259 /nfs/dbraw/zinc/32/62/59/500326259.db2.gz HXJMBYZAGVLLTJ-LDQXTDLNSA-N 2 0 366.484 3.214 20 30 FGEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422980672 500326871 /nfs/dbraw/zinc/32/68/71/500326871.db2.gz QKXDVAXLDFJRFG-QAPCUYQASA-N 2 0 367.472 3.179 20 30 FGEDRP C=CCN(Cc1ccc(Cl)s1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433168131 500638078 /nfs/dbraw/zinc/63/80/78/500638078.db2.gz LLOPAPVGZZZGCU-UHFFFAOYSA-N 2 0 355.935 3.119 20 30 FGEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000435739949 501021291 /nfs/dbraw/zinc/02/12/91/501021291.db2.gz ZGOCDDYWSKSHJI-CZUORRHYSA-N 2 0 364.287 3.476 20 30 FGEDRP C=CCOc1c(Br)cc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000469854689 502569381 /nfs/dbraw/zinc/56/93/81/502569381.db2.gz XZKHDWVUKJXMNS-UHFFFAOYSA-N 2 0 371.319 3.439 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000566973943 505328265 /nfs/dbraw/zinc/32/82/65/505328265.db2.gz QZDDYIBSZCKNNN-NWDGAFQWSA-N 2 0 357.292 3.238 20 30 FGEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593321372 506538213 /nfs/dbraw/zinc/53/82/13/506538213.db2.gz IQBWZHYUGPYRRD-MBSDFSHPSA-N 2 0 362.521 3.071 20 30 FGEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000594440997 507134999 /nfs/dbraw/zinc/13/49/99/507134999.db2.gz KMRAVMFDYVGKDR-ZWKOTPCHSA-N 2 0 362.905 3.004 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000595065406 507373956 /nfs/dbraw/zinc/37/39/56/507373956.db2.gz AYEIYWDTNSSZRQ-QRWLVFNGSA-N 2 0 353.441 3.115 20 30 FGEDRP C[C@H](CCC#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000602548698 507746130 /nfs/dbraw/zinc/74/61/30/507746130.db2.gz VLUYNYSDJUBWML-OAHLLOKOSA-N 2 0 368.447 3.487 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000155749333 705089733 /nfs/dbraw/zinc/08/97/33/705089733.db2.gz HXULFYVTXSCTHN-ROUUACIJSA-N 2 0 365.949 3.495 20 30 FGEDRP N#Cc1csc(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000717906510 722417892 /nfs/dbraw/zinc/41/78/92/722417892.db2.gz LGVMIAOCVFLZMP-UHFFFAOYSA-N 2 0 355.507 3.127 20 30 FGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000859325022 732311023 /nfs/dbraw/zinc/31/10/23/732311023.db2.gz KBWBBVXAVQHXSF-ZRNYENFQSA-N 2 0 366.622 3.341 20 30 FGEDRP C[C@@]1(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC[NH2+]C1 ZINC000904427906 743954434 /nfs/dbraw/zinc/95/44/34/743954434.db2.gz AEFZLIQAUJPGHG-KXUCPTDWSA-N 2 0 366.296 3.089 20 30 FGEDRP CC(C)[N@@H+]1CC[C@H](C[NH+]=C(NCCc2cccs2)NC(C)(C)C)C1 ZINC000912506433 757342019 /nfs/dbraw/zinc/34/20/19/757342019.db2.gz MXTYFFIPQSTIGQ-MRXNPFEDSA-N 2 0 350.576 3.355 20 30 FGEDRP FC1(F)[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923272233 759093841 /nfs/dbraw/zinc/09/38/41/759093841.db2.gz FCARUGPLIYMVBD-AOOOYVTPSA-N 2 0 366.296 3.089 20 30 FGEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000083031562 493991746 /nfs/dbraw/zinc/99/17/46/493991746.db2.gz ZQWFXWMNCXFBTJ-UHFFFAOYSA-N 2 0 368.481 3.052 20 30 FGEDRP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842646 495046827 /nfs/dbraw/zinc/04/68/27/495046827.db2.gz VTTXQWBILJRDLZ-OAHLLOKOSA-N 2 0 374.554 3.101 20 30 FGEDRP N#Cc1ccc2ncc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)n2c1 ZINC000123518294 495145172 /nfs/dbraw/zinc/14/51/72/495145172.db2.gz MTSAALVAAQYZDP-UHFFFAOYSA-N 2 0 365.506 3.269 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000113617959 495322284 /nfs/dbraw/zinc/32/22/84/495322284.db2.gz LCKRSTIGNIBDIZ-GOSISDBHSA-N 2 0 372.557 3.456 20 30 FGEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000176950972 495854823 /nfs/dbraw/zinc/85/48/23/495854823.db2.gz OQJPJPDCLTWRMP-UHFFFAOYSA-N 2 0 354.523 3.312 20 30 FGEDRP COCc1ccccc1NC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000177633051 496139124 /nfs/dbraw/zinc/13/91/24/496139124.db2.gz FBPGYCVBZWEKME-UHFFFAOYSA-N 2 0 366.509 3.472 20 30 FGEDRP CC(C)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000181461783 496406435 /nfs/dbraw/zinc/40/64/35/496406435.db2.gz MSQPUKHNYLRRDD-QFIPXVFZSA-N 2 0 354.542 3.233 20 30 FGEDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000182028791 496640655 /nfs/dbraw/zinc/64/06/55/496640655.db2.gz GPSRSQCJEWNLDV-DQLDELGASA-N 2 0 357.498 3.007 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@@H](C)O1 ZINC000267390871 497540321 /nfs/dbraw/zinc/54/03/21/497540321.db2.gz OOOKPNIMFQJGPL-RTBURBONSA-N 2 0 371.525 3.300 20 30 FGEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CCOCC1 ZINC000267429159 497550824 /nfs/dbraw/zinc/55/08/24/497550824.db2.gz MBODLZTUAILJQG-UHFFFAOYSA-N 2 0 368.481 3.316 20 30 FGEDRP CC1CC[NH+](CC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CC1 ZINC000370759056 499252211 /nfs/dbraw/zinc/25/22/11/499252211.db2.gz MIQUTFHCKXWWIF-UHFFFAOYSA-N 2 0 368.525 3.331 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336427 499422162 /nfs/dbraw/zinc/42/21/62/499422162.db2.gz GNODZAFBXYHPJO-SLYNCCJLSA-N 2 0 355.526 3.467 20 30 FGEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443958323 500783802 /nfs/dbraw/zinc/78/38/02/500783802.db2.gz CWICAQFVRURKBW-UHFFFAOYSA-N 2 0 362.521 3.294 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299520 502365961 /nfs/dbraw/zinc/36/59/61/502365961.db2.gz ZZIHMUJWVMWGQK-ZWKOTPCHSA-N 2 0 368.525 3.102 20 30 FGEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1)CC(C)C ZINC000469760337 502534756 /nfs/dbraw/zinc/53/47/56/502534756.db2.gz JLINIKODYLPPNI-GOSISDBHSA-N 2 0 362.562 3.017 20 30 FGEDRP CC[N@H+](CCC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1)CC1CC1 ZINC000536736435 503703801 /nfs/dbraw/zinc/70/38/01/503703801.db2.gz MGNIOZAOUYLYRM-UHFFFAOYSA-N 2 0 374.573 3.163 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517997769 503884703 /nfs/dbraw/zinc/88/47/03/503884703.db2.gz OXWSSIWTUDLZSG-NQIIRXRSSA-N 2 0 370.541 3.162 20 30 FGEDRP N#Cc1ccc(OC2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)nc1 ZINC000544001000 503967460 /nfs/dbraw/zinc/96/74/60/503967460.db2.gz ITXJKZWHKQNKQO-UHFFFAOYSA-N 2 0 354.498 3.107 20 30 FGEDRP CC(C)n1cc([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000560165075 505008462 /nfs/dbraw/zinc/00/84/62/505008462.db2.gz BDCJYHPGUOJAGB-ROUUACIJSA-N 2 0 356.518 3.246 20 30 FGEDRP CC[N@H+](CCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1)CC(C)C ZINC000567887908 505570195 /nfs/dbraw/zinc/57/01/95/505570195.db2.gz UOOJQJLUHLDOMX-UHFFFAOYSA-N 2 0 368.529 3.181 20 30 FGEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000588959855 506396164 /nfs/dbraw/zinc/39/61/64/506396164.db2.gz VNIQMFUYNCZEFJ-NRFANRHFSA-N 2 0 364.493 3.451 20 30 FGEDRP CCC1(N2CCOCC2)CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000600209654 506847701 /nfs/dbraw/zinc/84/77/01/506847701.db2.gz XXJROXJYZQGFQE-UHFFFAOYSA-N 2 0 353.510 3.319 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716389 507078051 /nfs/dbraw/zinc/07/80/51/507078051.db2.gz KYYCKARGMQSFPH-OPYAIIAOSA-N 2 0 355.526 3.309 20 30 FGEDRP N#CC1(C[C@@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000600722373 507082400 /nfs/dbraw/zinc/08/24/00/507082400.db2.gz PLAUPYGQLSGOCU-GOSISDBHSA-N 2 0 361.917 3.196 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cc2)CC1 ZINC000594931855 507319727 /nfs/dbraw/zinc/31/97/27/507319727.db2.gz SPKRWCGWWAMXLI-NHCUHLMSSA-N 2 0 353.510 3.099 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000595050126 507368744 /nfs/dbraw/zinc/36/87/44/507368744.db2.gz PWBUFLJMASUBTE-JOCHJYFZSA-N 2 0 353.510 3.416 20 30 FGEDRP N#Cc1ccc(CN2CCC([NH2+]CC[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000602020385 507556825 /nfs/dbraw/zinc/55/68/25/507556825.db2.gz KUBOZYMDQXOSKS-QFIPXVFZSA-N 2 0 362.521 3.072 20 30 FGEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262509887 713726757 /nfs/dbraw/zinc/72/67/57/713726757.db2.gz BAHQVDQAXHUWRL-AWEZNQCLSA-N 2 0 369.340 3.485 20 30 FGEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)CC(C)C ZINC000303783914 713788548 /nfs/dbraw/zinc/78/85/48/713788548.db2.gz OQZMWFWSLPDQCL-OAHLLOKOSA-N 2 0 350.507 3.187 20 30 FGEDRP C#CCOc1ccc(Br)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000835062840 729854753 /nfs/dbraw/zinc/85/47/53/729854753.db2.gz SDOZQFNRVIVVBQ-UHFFFAOYSA-N 2 0 365.315 3.425 20 30 FGEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948326 736167050 /nfs/dbraw/zinc/16/70/50/736167050.db2.gz LQJGTAUDCKXYMO-INIZCTEOSA-N 2 0 353.919 3.283 20 30 FGEDRP FC1(F)[C@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531722 759143599 /nfs/dbraw/zinc/14/35/99/759143599.db2.gz SYTVTRFWTNPUAD-BBBLOLIVSA-N 2 0 366.296 3.089 20 30 FGEDRP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000090107160 494443271 /nfs/dbraw/zinc/44/32/71/494443271.db2.gz RZVHRDWEUZXJBO-QGZVFWFLSA-N 2 0 353.466 3.228 20 30 FGEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000118834623 495044376 /nfs/dbraw/zinc/04/43/76/495044376.db2.gz NFNZLMZNCVBCPU-HSZRJFAPSA-N 2 0 374.532 3.437 20 30 FGEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)N(C)CCC#N ZINC000112529651 495200946 /nfs/dbraw/zinc/20/09/46/495200946.db2.gz IASDKRWVTKEUID-QRVBRYPASA-N 2 0 370.541 3.015 20 30 FGEDRP N#CCCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000136570359 495388107 /nfs/dbraw/zinc/38/81/07/495388107.db2.gz WOPAGOFXFUFQTC-YADHBBJMSA-N 2 0 371.525 3.227 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000106328019 495444891 /nfs/dbraw/zinc/44/48/91/495444891.db2.gz VBGYJDNYDWMQNU-LJQANCHMSA-N 2 0 374.529 3.146 20 30 FGEDRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185670937 495672775 /nfs/dbraw/zinc/67/27/75/495672775.db2.gz GYHCRPBQBWVAFN-SJLPKXTDSA-N 2 0 354.498 3.129 20 30 FGEDRP C=CCOc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000185888386 495767074 /nfs/dbraw/zinc/76/70/74/495767074.db2.gz OOIFWNWRENGHIV-UHFFFAOYSA-N 2 0 365.949 3.411 20 30 FGEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544556 496335515 /nfs/dbraw/zinc/33/55/15/496335515.db2.gz IIHUVJHXXHQOBU-FQEVSTJZSA-N 2 0 368.525 3.475 20 30 FGEDRP CC(C)C[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181458737 496405310 /nfs/dbraw/zinc/40/53/10/496405310.db2.gz BWDWLGWKACXROY-UHFFFAOYSA-N 2 0 354.542 3.233 20 30 FGEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000264117572 496815811 /nfs/dbraw/zinc/81/58/11/496815811.db2.gz TUHCATQLGJRCDW-UHFFFAOYSA-N 2 0 370.497 3.472 20 30 FGEDRP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000245892805 497561470 /nfs/dbraw/zinc/56/14/70/497561470.db2.gz MMEFPAZRCGBGNN-RBUKOAKNSA-N 2 0 354.542 3.233 20 30 FGEDRP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410125 497743423 /nfs/dbraw/zinc/74/34/23/497743423.db2.gz AJFUJIGCJLQUKA-HXUWFJFHSA-N 2 0 354.498 3.083 20 30 FGEDRP COc1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)ccc1C#N ZINC000281604315 498210215 /nfs/dbraw/zinc/21/02/15/498210215.db2.gz GCHJNTIRGVMTGS-UHFFFAOYSA-N 2 0 353.466 3.187 20 30 FGEDRP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000360094965 498246541 /nfs/dbraw/zinc/24/65/41/498246541.db2.gz BSMYQZILWLVQMP-BEFAXECRSA-N 2 0 351.479 3.050 20 30 FGEDRP Cc1nccn1CCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000368051523 499259626 /nfs/dbraw/zinc/25/96/26/499259626.db2.gz NJVMZHWWYFPWIT-UHFFFAOYSA-N 2 0 362.481 3.491 20 30 FGEDRP CC(C)c1nccn1[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369257798 499384065 /nfs/dbraw/zinc/38/40/65/499384065.db2.gz JLYQKXPIRQZDKV-GOSISDBHSA-N 2 0 351.454 3.154 20 30 FGEDRP N#Cc1ccc(OCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000380636611 499543497 /nfs/dbraw/zinc/54/34/97/499543497.db2.gz JMCFDBSAAXIVCD-FGZHOGPDSA-N 2 0 361.489 3.391 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000414825801 499834967 /nfs/dbraw/zinc/83/49/67/499834967.db2.gz HSUMSFJYRNHPPH-ZDUSSCGKSA-N 2 0 369.303 3.112 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000421321611 500017077 /nfs/dbraw/zinc/01/70/77/500017077.db2.gz CBJLBQYCXZVWRJ-JOCHJYFZSA-N 2 0 366.484 3.166 20 30 FGEDRP C=CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444630394 500869862 /nfs/dbraw/zinc/86/98/62/500869862.db2.gz ZXSMFVRLXTUGNC-SFHVURJKSA-N 2 0 354.502 3.087 20 30 FGEDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481921924 501918510 /nfs/dbraw/zinc/91/85/10/501918510.db2.gz MSTHNCMXZHOHRE-QFIPXVFZSA-N 2 0 354.542 3.189 20 30 FGEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000543207919 503681276 /nfs/dbraw/zinc/68/12/76/503681276.db2.gz WDRYLNMVTMJFFZ-RTBURBONSA-N 2 0 355.526 3.464 20 30 FGEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(C#N)c3F)CC2)CC1 ZINC000540346617 503745489 /nfs/dbraw/zinc/74/54/89/503745489.db2.gz NMDGUESHUNZVRK-UHFFFAOYSA-N 2 0 372.532 3.325 20 30 FGEDRP Cn1ncc2ccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cc21 ZINC000517549056 503768182 /nfs/dbraw/zinc/76/81/82/503768182.db2.gz XOTCKGSBEDHYCC-UHFFFAOYSA-N 2 0 359.477 3.199 20 30 FGEDRP CC(C)COC1CC[NH+](CC#CC[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000530360546 503937325 /nfs/dbraw/zinc/93/73/25/503937325.db2.gz MWZPTDNLCOKGMA-UHFFFAOYSA-N 2 0 364.574 3.264 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C(C)C ZINC000520704657 504560536 /nfs/dbraw/zinc/56/05/36/504560536.db2.gz WTDWBVORGSWWHO-ICSRJNTNSA-N 2 0 362.562 3.001 20 30 FGEDRP N#Cc1ccc(C[N@@H+]2CCCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072350 505153221 /nfs/dbraw/zinc/15/32/21/505153221.db2.gz UXVNTDFFZNVYTB-XMMPIXPASA-N 2 0 374.532 3.340 20 30 FGEDRP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000583142438 506614014 /nfs/dbraw/zinc/61/40/14/506614014.db2.gz WIUHBVRWEFYKCB-NRFANRHFSA-N 2 0 364.493 3.053 20 30 FGEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600727542 507085745 /nfs/dbraw/zinc/08/57/45/507085745.db2.gz XFRLSOLJRGLCOE-IBGZPJMESA-N 2 0 353.466 3.056 20 30 FGEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000594974190 507337516 /nfs/dbraw/zinc/33/75/16/507337516.db2.gz HMYMRCQIIMIAJJ-JOCHJYFZSA-N 2 0 363.505 3.344 20 30 FGEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000598594784 507510229 /nfs/dbraw/zinc/51/02/29/507510229.db2.gz JSSFSHBMYHRXTG-UNMCSNQZSA-N 2 0 355.526 3.275 20 30 FGEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000602535768 507740322 /nfs/dbraw/zinc/74/03/22/507740322.db2.gz SEHSHHSJFDMYBP-GOSISDBHSA-N 2 0 359.514 3.206 20 30 FGEDRP C[NH+](C)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602550370 507745501 /nfs/dbraw/zinc/74/55/01/507745501.db2.gz BKDAPWAYPOKVNZ-HOTGVXAUSA-N 2 0 371.312 3.124 20 30 FGEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[NH+](C(C)C)C(C)C)c1 ZINC000303717924 713787819 /nfs/dbraw/zinc/78/78/19/713787819.db2.gz UNHCDLHTUCCZJH-UHFFFAOYSA-N 2 0 350.507 3.329 20 30 FGEDRP Cc1ccc([C@@H](CNC(=[NH2+])NCCc2cccs2)[NH+]2CCCC2)cc1 ZINC000303881879 713789465 /nfs/dbraw/zinc/78/94/65/713789465.db2.gz LDXQLYLQUFZUDS-LJQANCHMSA-N 2 0 356.539 3.340 20 30 FGEDRP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000303872223 713789567 /nfs/dbraw/zinc/78/95/67/713789567.db2.gz BWWYNFIFBBYTGJ-STQMWFEESA-N 2 0 358.408 3.432 20 30 FGEDRP C=C(C[NH+](C)C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000764441938 723413674 /nfs/dbraw/zinc/41/36/74/723413674.db2.gz HHZIDAWBWFCJDB-UHFFFAOYSA-N 2 0 372.340 3.392 20 30 FGEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000092821050 494762750 /nfs/dbraw/zinc/76/27/50/494762750.db2.gz JABCRWGDIWHWEY-JOCHJYFZSA-N 2 0 364.493 3.225 20 30 FGEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000118834188 495044844 /nfs/dbraw/zinc/04/48/44/495044844.db2.gz UOJPWSMCCWKKLN-IBGZPJMESA-N 2 0 368.525 3.475 20 30 FGEDRP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868549 495051023 /nfs/dbraw/zinc/05/10/23/495051023.db2.gz QJWIJPRYQISXDH-CQSZACIVSA-N 2 0 362.905 3.202 20 30 FGEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000112648738 495217326 /nfs/dbraw/zinc/21/73/26/495217326.db2.gz DDVUAPZYUTZZTN-HXUWFJFHSA-N 2 0 368.525 3.331 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106265773 495440722 /nfs/dbraw/zinc/44/07/22/495440722.db2.gz WNBGQQXKKHDJOP-ROUUACIJSA-N 2 0 364.578 3.083 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000106269112 495442055 /nfs/dbraw/zinc/44/20/55/495442055.db2.gz LUEPHJDXJVJOIO-IBGZPJMESA-N 2 0 374.529 3.065 20 30 FGEDRP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2)c(F)c1 ZINC000160136134 495892539 /nfs/dbraw/zinc/89/25/39/495892539.db2.gz LMZNCVJQPUINDX-IBGZPJMESA-N 2 0 356.489 3.130 20 30 FGEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007409 496750089 /nfs/dbraw/zinc/75/00/89/496750089.db2.gz PJNSMYLPQZFRTG-ICSRJNTNSA-N 2 0 368.525 3.473 20 30 FGEDRP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248611984 497056649 /nfs/dbraw/zinc/05/66/49/497056649.db2.gz XTWLDCOXAHCGTN-SYYKKAFVSA-N 2 0 372.553 3.397 20 30 FGEDRP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246480569 497748234 /nfs/dbraw/zinc/74/82/34/497748234.db2.gz ADFDEEIIHUNZPP-BRWVUGGUSA-N 2 0 374.554 3.291 20 30 FGEDRP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000329772383 497896215 /nfs/dbraw/zinc/89/62/15/497896215.db2.gz KOLPVEMQAHHJTG-VQIMIIECSA-N 2 0 367.497 3.166 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287584283 498803713 /nfs/dbraw/zinc/80/37/13/498803713.db2.gz ZEKRMZYRBHCFDH-YLJYHZDGSA-N 2 0 358.530 3.018 20 30 FGEDRP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366884447 499105269 /nfs/dbraw/zinc/10/52/69/499105269.db2.gz NSPILRAONXMGFT-IBGZPJMESA-N 2 0 368.525 3.130 20 30 FGEDRP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000369341718 499393234 /nfs/dbraw/zinc/39/32/34/499393234.db2.gz GBSQMDNUAVKWOG-YUXAGFNASA-N 2 0 356.510 3.068 20 30 FGEDRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)cc1 ZINC000373224571 499458409 /nfs/dbraw/zinc/45/84/09/499458409.db2.gz WDEFLFXVIJSAMR-KJJMTIBFSA-N 2 0 371.525 3.347 20 30 FGEDRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000414309414 499776442 /nfs/dbraw/zinc/77/64/42/499776442.db2.gz RHOKUYVVUGDKKN-QGZVFWFLSA-N 2 0 367.468 3.375 20 30 FGEDRP C[NH+](C)C1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000421381411 500033562 /nfs/dbraw/zinc/03/35/62/500033562.db2.gz ZSCQCXSOPHEDHY-UHFFFAOYSA-N 2 0 351.498 3.426 20 30 FGEDRP CC[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447508354 500614101 /nfs/dbraw/zinc/61/41/01/500614101.db2.gz QXOVYECPJAYVRT-QHCPKHFHSA-N 2 0 362.521 3.417 20 30 FGEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459732717 501705962 /nfs/dbraw/zinc/70/59/62/501705962.db2.gz MPUUPVKIXCZCIF-SFHVURJKSA-N 2 0 351.498 3.285 20 30 FGEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000482148109 501989676 /nfs/dbraw/zinc/98/96/76/501989676.db2.gz YMMHRCVPBGTMIL-UYAOXDASSA-N 2 0 356.514 3.377 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C(C)C ZINC000474064684 502795253 /nfs/dbraw/zinc/79/52/53/502795253.db2.gz YNHSRZIDHSRKBI-MHJFOBGBSA-N 2 0 362.562 3.001 20 30 FGEDRP C[N@H+](CCOc1cccc(C#N)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501030632 502915543 /nfs/dbraw/zinc/91/55/43/502915543.db2.gz MJRBCCRIXGFSDK-UHFFFAOYSA-N 2 0 350.466 3.180 20 30 FGEDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000506618707 503144791 /nfs/dbraw/zinc/14/47/91/503144791.db2.gz UBKHIHVOTZVNCJ-UHFFFAOYSA-N 2 0 362.905 3.345 20 30 FGEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C ZINC000503433098 503408087 /nfs/dbraw/zinc/40/80/87/503408087.db2.gz BALSEBFSWJRHDE-SFHVURJKSA-N 2 0 364.578 3.293 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000493838083 503449068 /nfs/dbraw/zinc/44/90/68/503449068.db2.gz WXXOWURHAHZVNJ-WIYYLYMNSA-N 2 0 372.557 3.326 20 30 FGEDRP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC#CC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469104 503562486 /nfs/dbraw/zinc/56/24/86/503562486.db2.gz OANMBDTYZPNDLQ-LRSLUSHPSA-N 2 0 364.574 3.021 20 30 FGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000593323032 506540602 /nfs/dbraw/zinc/54/06/02/506540602.db2.gz ONDGLCRJQPBIQS-RJGXRXQPSA-N 2 0 366.553 3.423 20 30 FGEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000594919564 507315408 /nfs/dbraw/zinc/31/54/08/507315408.db2.gz BNAPEXCSIOFFRG-GHTZIAJQSA-N 2 0 355.526 3.468 20 30 FGEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594985078 507341408 /nfs/dbraw/zinc/34/14/08/507341408.db2.gz VNEUQZQOZDIJBW-UHFFFAOYSA-N 2 0 373.460 3.243 20 30 FGEDRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595064912 507374996 /nfs/dbraw/zinc/37/49/96/507374996.db2.gz SVJUGHYZLTUAOL-KPQWGBOZSA-N 2 0 356.558 3.252 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000592293938 507598668 /nfs/dbraw/zinc/59/86/68/507598668.db2.gz HRVWNGQTDJLDED-UHFFFAOYSA-N 2 0 372.557 3.368 20 30 FGEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)(N2CCCCC2)CC1 ZINC000611393103 507658865 /nfs/dbraw/zinc/65/88/65/507658865.db2.gz JQOIRNVOIHKCBI-JOCHJYFZSA-N 2 0 366.553 3.476 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)C1 ZINC000303872537 713789421 /nfs/dbraw/zinc/78/94/21/713789421.db2.gz CAVSSOKWZROCDT-IAGOWNOFSA-N 2 0 360.571 3.028 20 30 FGEDRP C=CCN1CCC([NH2+][C@@H](CC)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000834571421 729815358 /nfs/dbraw/zinc/81/53/58/729815358.db2.gz SVVUXKCRZGCZGP-ROUUACIJSA-N 2 0 351.535 3.405 20 30 FGEDRP N#Cc1cnc(Cl)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000877626495 736695918 /nfs/dbraw/zinc/69/59/18/736695918.db2.gz WOZLOUJVIFZXON-UHFFFAOYSA-N 2 0 355.873 3.003 20 30 FGEDRP COCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC1CC[NH+](C)CC1 ZINC000879125157 736958530 /nfs/dbraw/zinc/95/85/30/736958530.db2.gz RMIYLCJFMSFFGB-UHFFFAOYSA-N 2 0 365.905 3.033 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000106262904 495440645 /nfs/dbraw/zinc/44/06/45/495440645.db2.gz SDYPNIKMHWWECW-UHFFFAOYSA-N 2 0 372.557 3.367 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170912570 495649862 /nfs/dbraw/zinc/64/98/62/495649862.db2.gz WEQHMYYDFFEOBT-CALCHBBNSA-N 2 0 351.498 3.486 20 30 FGEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170912571 495650214 /nfs/dbraw/zinc/65/02/14/495650214.db2.gz WEQHMYYDFFEOBT-IRXDYDNUSA-N 2 0 351.498 3.486 20 30 FGEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000151005196 495708697 /nfs/dbraw/zinc/70/86/97/495708697.db2.gz REBWGKXKVSRDLB-SFHVURJKSA-N 2 0 370.541 3.179 20 30 FGEDRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179970256 495805569 /nfs/dbraw/zinc/80/55/69/495805569.db2.gz WMEPVERBAORCJO-UHFFFAOYSA-N 2 0 351.498 3.122 20 30 FGEDRP N#Cc1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000176984354 495870748 /nfs/dbraw/zinc/87/07/48/495870748.db2.gz XJIQCMJMTHMIPL-UHFFFAOYSA-N 2 0 353.466 3.312 20 30 FGEDRP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000180553715 496041878 /nfs/dbraw/zinc/04/18/78/496041878.db2.gz PTKXNTPMPOMTDJ-KRWDZBQOSA-N 2 0 353.466 3.380 20 30 FGEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](C)C1 ZINC000279418822 497434784 /nfs/dbraw/zinc/43/47/84/497434784.db2.gz OSBIAFXCFLYMQH-PXNSSMCTSA-N 2 0 366.513 3.021 20 30 FGEDRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000245873471 497555399 /nfs/dbraw/zinc/55/53/99/497555399.db2.gz JVJVHDQOHDHRQR-MOPGFXCFSA-N 2 0 354.542 3.233 20 30 FGEDRP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245892809 497561546 /nfs/dbraw/zinc/56/15/46/497561546.db2.gz MMEFPAZRCGBGNN-RTBURBONSA-N 2 0 354.542 3.233 20 30 FGEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000280615325 497826173 /nfs/dbraw/zinc/82/61/73/497826173.db2.gz KMGOJSWJAHJTRO-SIKLNZKXSA-N 2 0 357.542 3.288 20 30 FGEDRP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438358 499121915 /nfs/dbraw/zinc/12/19/15/499121915.db2.gz APWWJQIWNZUPME-IRXDYDNUSA-N 2 0 372.513 3.206 20 30 FGEDRP N#CC1(CCC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CCOCC1 ZINC000376593948 499621328 /nfs/dbraw/zinc/62/13/28/499621328.db2.gz BQVBGEXUPUXYKG-SFHVURJKSA-N 2 0 356.514 3.499 20 30 FGEDRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424151023 500460587 /nfs/dbraw/zinc/46/05/87/500460587.db2.gz GXXDHPSBFQOJOO-FQEVSTJZSA-N 2 0 356.514 3.088 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)c(C)c3)cc2)CC1 ZINC000443965924 500784774 /nfs/dbraw/zinc/78/47/74/500784774.db2.gz MXRSSDSNWWGVQK-UHFFFAOYSA-N 2 0 362.521 3.294 20 30 FGEDRP C[N@H+](CCCCC(C)(C)C#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511810944 503392585 /nfs/dbraw/zinc/39/25/85/503392585.db2.gz QIHIDIQLNCPKAI-UHFFFAOYSA-N 2 0 356.558 3.456 20 30 FGEDRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000512659218 503605460 /nfs/dbraw/zinc/60/54/60/503605460.db2.gz DZUOBRIANGFLKP-QGZVFWFLSA-N 2 0 358.505 3.298 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000533312210 503803595 /nfs/dbraw/zinc/80/35/95/503803595.db2.gz DGUHWIVNXDNZDQ-QFIPXVFZSA-N 2 0 366.484 3.166 20 30 FGEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000518058100 503900653 /nfs/dbraw/zinc/90/06/53/503900653.db2.gz DNHOKBHWOPENMN-UHFFFAOYSA-N 2 0 370.541 3.487 20 30 FGEDRP C=C[C@@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000534694693 504217392 /nfs/dbraw/zinc/21/73/92/504217392.db2.gz DHXYVSWYDJNUAJ-FPOVZHCZSA-N 2 0 357.542 3.221 20 30 FGEDRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000538502002 504265812 /nfs/dbraw/zinc/26/58/12/504265812.db2.gz QVAMLLIKXGTCRF-GOSISDBHSA-N 2 0 366.484 3.166 20 30 FGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000593323984 506541404 /nfs/dbraw/zinc/54/14/04/506541404.db2.gz WRMKNVFREYYWFT-FDFHNCONSA-N 2 0 352.526 3.033 20 30 FGEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000599657746 506557855 /nfs/dbraw/zinc/55/78/55/506557855.db2.gz LLZLMMUQLMFOFD-DYESRHJHSA-N 2 0 358.530 3.013 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441237 507135602 /nfs/dbraw/zinc/13/56/02/507135602.db2.gz PMVRJAATWDEDAI-UEXGIBASSA-N 2 0 370.541 3.192 20 30 FGEDRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594446840 507136489 /nfs/dbraw/zinc/13/64/89/507136489.db2.gz XSTMSLHMEVTCHO-IRXDYDNUSA-N 2 0 362.543 3.049 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000595050127 507368171 /nfs/dbraw/zinc/36/81/71/507368171.db2.gz PWBUFLJMASUBTE-QFIPXVFZSA-N 2 0 353.510 3.416 20 30 FGEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000598594782 507511107 /nfs/dbraw/zinc/51/11/07/507511107.db2.gz JSSFSHBMYHRXTG-IRLDBZIGSA-N 2 0 355.526 3.275 20 30 FGEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCSC2(CCCCC2)C1 ZINC000261747885 713713570 /nfs/dbraw/zinc/71/35/70/713713570.db2.gz LNCKKPDOBYXGBI-UHFFFAOYSA-N 2 0 352.592 3.045 20 30 FGEDRP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000305240054 713792791 /nfs/dbraw/zinc/79/27/91/713792791.db2.gz QRBJBMKSFIRDAX-STQMWFEESA-N 2 0 358.408 3.432 20 30 FGEDRP CS[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](SC)C3)c2)C1 ZINC000878665769 736905671 /nfs/dbraw/zinc/90/56/71/736905671.db2.gz LPLHCADQTSVQKA-OALUTQOASA-N 2 0 361.580 3.433 20 30 FGEDRP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C[NH+]1CCCC1 ZINC000113324404 495296516 /nfs/dbraw/zinc/29/65/16/495296516.db2.gz OVCONWAULYZZEW-SFHVURJKSA-N 2 0 351.498 3.285 20 30 FGEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113330766 495297380 /nfs/dbraw/zinc/29/73/80/495297380.db2.gz BKMXXRRPBDQADH-GOSISDBHSA-N 2 0 351.498 3.285 20 30 FGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000574611995 505813823 /nfs/dbraw/zinc/81/38/23/505813823.db2.gz RFGBGHPOHKNAFB-JTHBVZDNSA-N 2 0 361.489 3.292 20 30 FGEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000175013405 496207005 /nfs/dbraw/zinc/20/70/05/496207005.db2.gz FMVOPHHMJAFZHS-VQTJNVASSA-N 2 0 351.498 3.426 20 30 FGEDRP C=CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1OC ZINC000294242369 498630160 /nfs/dbraw/zinc/63/01/60/498630160.db2.gz ZWVNIMLCOQROHU-YOFSQIOKSA-N 2 0 374.525 3.334 20 30 FGEDRP CC1CCN(C(=[NH2+])NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000304713537 498735081 /nfs/dbraw/zinc/73/50/81/498735081.db2.gz MREDWTLBNVNFOQ-UHFFFAOYSA-N 2 0 372.557 3.104 20 30 FGEDRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000328754654 498927899 /nfs/dbraw/zinc/92/78/99/498927899.db2.gz DVMLGAYXWOIYHR-QGZVFWFLSA-N 2 0 359.514 3.496 20 30 FGEDRP Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329369452 499110244 /nfs/dbraw/zinc/11/02/44/499110244.db2.gz IHJPXMDVVCIJIL-AEFFLSMTSA-N 2 0 357.502 3.094 20 30 FGEDRP CCC[N@H+](CCCSCC#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000369899758 499147887 /nfs/dbraw/zinc/14/78/87/499147887.db2.gz JRHKLQXOFHSJOE-UHFFFAOYSA-N 2 0 361.559 3.421 20 30 FGEDRP C[NH+](C)CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000371392953 499319912 /nfs/dbraw/zinc/31/99/12/499319912.db2.gz VUZGBJYWQCDBKM-UHFFFAOYSA-N 2 0 351.498 3.237 20 30 FGEDRP COc1ccc(C#N)cc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372951220 499444486 /nfs/dbraw/zinc/44/44/86/499444486.db2.gz WEGAOWIPMRVXCY-UHFFFAOYSA-N 2 0 350.466 3.310 20 30 FGEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000375594678 499536152 /nfs/dbraw/zinc/53/61/52/499536152.db2.gz BPZUMNFEABHFPK-VXKWHMMOSA-N 2 0 354.542 3.174 20 30 FGEDRP CCc1ccccc1[C@@H]([NH3+])CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423503685 500380131 /nfs/dbraw/zinc/38/01/31/500380131.db2.gz MZMSEPVWJCZHOZ-QHCPKHFHSA-N 2 0 362.521 3.375 20 30 FGEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442781565 500625301 /nfs/dbraw/zinc/62/53/01/500625301.db2.gz MYEYMJZWWUVJAG-RHSMWYFYSA-N 2 0 366.431 3.239 20 30 FGEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(C[NH2+][C@@H]2CCCO[C@H]2C=C)c1 ZINC000451685212 501350616 /nfs/dbraw/zinc/35/06/16/501350616.db2.gz WSVSSIUXLLAOKS-CZYKHXBRSA-N 2 0 356.510 3.333 20 30 FGEDRP CC(C)C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)C(=O)NCC[NH+](C)C ZINC000482010311 501946315 /nfs/dbraw/zinc/94/63/15/501946315.db2.gz WNKQOSCXFPKCRR-SFTDATJTSA-N 2 0 370.541 3.008 20 30 FGEDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1OC ZINC000482141649 501987785 /nfs/dbraw/zinc/98/77/85/501987785.db2.gz KJJIBUQPPQYJQZ-MOPGFXCFSA-N 2 0 359.514 3.436 20 30 FGEDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(C#N)cc1OC ZINC000482141652 501988078 /nfs/dbraw/zinc/98/80/78/501988078.db2.gz KJJIBUQPPQYJQZ-RTBURBONSA-N 2 0 359.514 3.436 20 30 FGEDRP COc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000483212083 502315184 /nfs/dbraw/zinc/31/51/84/502315184.db2.gz QGTVGZVOXZIKIK-UHFFFAOYSA-N 2 0 350.466 3.214 20 30 FGEDRP C[N@H+](CCOc1ccccc1C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023752 502914224 /nfs/dbraw/zinc/91/42/24/502914224.db2.gz VDXVRMIJFALTNO-UHFFFAOYSA-N 2 0 350.466 3.180 20 30 FGEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)cn2)CC1 ZINC000539608589 504625063 /nfs/dbraw/zinc/62/50/63/504625063.db2.gz SYBRRWXOUBAYOL-INIZCTEOSA-N 2 0 367.472 3.085 20 30 FGEDRP N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000593323033 506539791 /nfs/dbraw/zinc/53/97/91/506539791.db2.gz ONDGLCRJQPBIQS-XPWALMASSA-N 2 0 366.553 3.423 20 30 FGEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716354 507078008 /nfs/dbraw/zinc/07/80/08/507078008.db2.gz KPKDVSVCBLCXTK-OPYAIIAOSA-N 2 0 355.526 3.309 20 30 FGEDRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594446841 507137341 /nfs/dbraw/zinc/13/73/41/507137341.db2.gz XSTMSLHMEVTCHO-SJORKVTESA-N 2 0 362.543 3.049 20 30 FGEDRP N#CC1(c2ccc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cc2)CC1 ZINC000594974235 507338370 /nfs/dbraw/zinc/33/83/70/507338370.db2.gz IYIQTALOISPFGT-QFIPXVFZSA-N 2 0 361.489 3.098 20 30 FGEDRP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167272 507392687 /nfs/dbraw/zinc/39/26/87/507392687.db2.gz GANDDHWEFOGLCM-OAQYLSRUSA-N 2 0 354.542 3.090 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000611394619 507661102 /nfs/dbraw/zinc/66/11/02/507661102.db2.gz TUDZIGMPQFREKE-FDFHNCONSA-N 2 0 353.510 3.293 20 30 FGEDRP CC[NH+]1CCC(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160730696 705260349 /nfs/dbraw/zinc/26/03/49/705260349.db2.gz CXSMHPABCHCVGB-UHFFFAOYSA-N 2 0 358.408 3.434 20 30 FGEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186597758 712723545 /nfs/dbraw/zinc/72/35/45/712723545.db2.gz ALZXJKULQHHOBE-MSOLQXFVSA-N 2 0 365.949 3.495 20 30 FGEDRP COC1CC[NH+](C2(CNC(=[NH2+])NC3CCCCCC3)CCCC2)CC1 ZINC000261963619 713716393 /nfs/dbraw/zinc/71/63/93/713716393.db2.gz AERFVLCNOGUIRS-UHFFFAOYSA-N 2 0 350.551 3.037 20 30 FGEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000303784983 713788509 /nfs/dbraw/zinc/78/85/09/713788509.db2.gz PZCMNNDXBNZGJJ-HNNXBMFYSA-N 2 0 350.507 3.187 20 30 FGEDRP C=CC[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662668422 720451569 /nfs/dbraw/zinc/45/15/69/720451569.db2.gz FKLVMINBTSGOGH-HXUWFJFHSA-N 2 0 361.917 3.119 20 30 FGEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079330 731226566 /nfs/dbraw/zinc/22/65/66/731226566.db2.gz IOIKAZUGEXJCOY-GDBMZVCRSA-N 2 0 354.420 3.388 20 30 FGEDRP C=CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@]1(C)CCCCO1 ZINC000902808504 743777415 /nfs/dbraw/zinc/77/74/15/743777415.db2.gz JTRLRWQCTIRMML-SESVDKBCSA-N 2 0 350.547 3.371 20 30 FGEDRP FC1(F)[C@@H]2CN(CCC[NH2+]C3CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531438 759143580 /nfs/dbraw/zinc/14/35/80/759143580.db2.gz QAWMRKRKGYKDIK-NXEZZACHSA-N 2 0 366.296 3.231 20 30 FGEDRP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045938511 766576244 /nfs/dbraw/zinc/57/62/44/766576244.db2.gz DJHPJTFHVQURQA-NSHGMRRFSA-N 2 0 367.965 3.174 20 30 FGEDRP N#CCCn1cc(C[NH2+]CCCC[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000113323027 495296401 /nfs/dbraw/zinc/29/64/01/495296401.db2.gz QKYYHRPVEBHCDZ-UHFFFAOYSA-N 2 0 351.498 3.429 20 30 FGEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462874 495365523 /nfs/dbraw/zinc/36/55/23/495365523.db2.gz LDBXZERIYXRQPE-MRXNPFEDSA-N 2 0 352.457 3.300 20 30 FGEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2F)CC1 ZINC000106487386 495459269 /nfs/dbraw/zinc/45/92/69/495459269.db2.gz CSTMDLPOKCHQMY-UHFFFAOYSA-N 2 0 352.457 3.129 20 30 FGEDRP Cc1ccnc(N2CCN(Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000120898466 495480331 /nfs/dbraw/zinc/48/03/31/495480331.db2.gz GTBIYEKJFNFFBQ-UHFFFAOYSA-N 2 0 350.466 3.395 20 30 FGEDRP C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766580 495718886 /nfs/dbraw/zinc/71/88/86/495718886.db2.gz JHXXREMSGWJFMC-FUHWJXTLSA-N 2 0 354.498 3.129 20 30 FGEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2F)CC1 ZINC000176965589 495860408 /nfs/dbraw/zinc/86/04/08/495860408.db2.gz POJWNYNMVPWMFP-UHFFFAOYSA-N 2 0 358.486 3.191 20 30 FGEDRP CCC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180171146 495890445 /nfs/dbraw/zinc/89/04/45/495890445.db2.gz CAWMTGNBAIKGHS-UHFFFAOYSA-N 2 0 351.498 3.170 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177508231 496091363 /nfs/dbraw/zinc/09/13/63/496091363.db2.gz RABKUBGDIQYTKP-OALUTQOASA-N 2 0 371.525 3.148 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)s2)[C@@H](c2ccccc2)C1 ZINC000247347170 496842042 /nfs/dbraw/zinc/84/20/42/496842042.db2.gz OPCVGGDIELZENL-HXUWFJFHSA-N 2 0 354.523 3.088 20 30 FGEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271067795 497256619 /nfs/dbraw/zinc/25/66/19/497256619.db2.gz KASUGFDEMHNBIG-RDABAPPSSA-N 2 0 368.569 3.254 20 30 FGEDRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271096835 497262801 /nfs/dbraw/zinc/26/28/01/497262801.db2.gz ZQRWGNAPWOWFDD-UHFFFAOYSA-N 2 0 355.526 3.215 20 30 FGEDRP N#Cc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000271875027 497476825 /nfs/dbraw/zinc/47/68/25/497476825.db2.gz NTTYJEFYLNVIKB-UHFFFAOYSA-N 2 0 352.526 3.129 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000287584273 498804237 /nfs/dbraw/zinc/80/42/37/498804237.db2.gz ZEKRMZYRBHCFDH-PXNSSMCTSA-N 2 0 358.530 3.018 20 30 FGEDRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000328940395 498993607 /nfs/dbraw/zinc/99/36/07/498993607.db2.gz KSHSEKPOUOZRSC-AABGKKOBSA-N 2 0 363.546 3.118 20 30 FGEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000576317115 506128590 /nfs/dbraw/zinc/12/85/90/506128590.db2.gz RCQGDTLWPZRMGZ-XMMPIXPASA-N 2 0 374.532 3.473 20 30 FGEDRP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+]1CCCCCC1 ZINC000329201029 499071115 /nfs/dbraw/zinc/07/11/15/499071115.db2.gz VNWUTWIYGMSAHU-ZIFCJYIRSA-N 2 0 361.534 3.024 20 30 FGEDRP CC(C)c1nccn1[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369257799 499384087 /nfs/dbraw/zinc/38/40/87/499384087.db2.gz JLYQKXPIRQZDKV-SFHVURJKSA-N 2 0 351.454 3.154 20 30 FGEDRP C=CCOc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397625246 499564642 /nfs/dbraw/zinc/56/46/42/499564642.db2.gz XOWSOSVPWLHWOM-UHFFFAOYSA-N 2 0 366.505 3.368 20 30 FGEDRP CN(C(=O)c1cscc1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000570417207 506163914 /nfs/dbraw/zinc/16/39/14/506163914.db2.gz UBUJVSCLPAEDLY-RTBURBONSA-N 2 0 374.554 3.029 20 30 FGEDRP C(#CC[NH+]1CCC(OC2CCC2)CC1)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419298313 500350296 /nfs/dbraw/zinc/35/02/96/500350296.db2.gz GASQLTXCAWOWLQ-UHFFFAOYSA-N 2 0 360.542 3.057 20 30 FGEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071110 502928286 /nfs/dbraw/zinc/92/82/86/502928286.db2.gz UYCTZCDOGHKKEP-SFHVURJKSA-N 2 0 358.530 3.043 20 30 FGEDRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507602214 503329263 /nfs/dbraw/zinc/32/92/63/503329263.db2.gz PPQDUAYTXYTEQX-ATKRNPRHSA-N 2 0 355.526 3.073 20 30 FGEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716353 507078097 /nfs/dbraw/zinc/07/80/97/507078097.db2.gz KPKDVSVCBLCXTK-LVCYWYKZSA-N 2 0 355.526 3.309 20 30 FGEDRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000614176720 507396362 /nfs/dbraw/zinc/39/63/62/507396362.db2.gz WVINXXCENOETBH-UHFFFAOYSA-N 2 0 368.569 3.478 20 30 FGEDRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000584832445 507530273 /nfs/dbraw/zinc/53/02/73/507530273.db2.gz XNDUNJDCDJDIAA-OAQYLSRUSA-N 2 0 364.493 3.451 20 30 FGEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000611392984 507659543 /nfs/dbraw/zinc/65/95/43/507659543.db2.gz AKBHMMGASWHQOW-PKTZIBPZSA-N 2 0 361.489 3.162 20 30 FGEDRP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611515351 507715529 /nfs/dbraw/zinc/71/55/29/507715529.db2.gz NOTBAXBBYAYUQU-NRFANRHFSA-N 2 0 368.525 3.107 20 30 FGEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000666855480 720991126 /nfs/dbraw/zinc/99/11/26/720991126.db2.gz UVYIMVMGHRTWBW-CQSZACIVSA-N 2 0 369.303 3.254 20 30 FGEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3csc(C#N)c3)C2)ccn1 ZINC000895501619 742420111 /nfs/dbraw/zinc/42/01/11/742420111.db2.gz ZIOWVKZYDUCLRY-GOSISDBHSA-N 2 0 356.495 3.120 20 30 FGEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901254062 743243194 /nfs/dbraw/zinc/24/31/94/743243194.db2.gz BBENRSQQFLIKEM-MAUKXSAKSA-N 2 0 367.896 3.096 20 30 FGEDRP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133837 766292035 /nfs/dbraw/zinc/29/20/35/766292035.db2.gz WLCKIWADGBTZEF-CEXWTWQISA-N 2 0 367.965 3.030 20 30 FGEDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000109787476 494918320 /nfs/dbraw/zinc/91/83/20/494918320.db2.gz VHPDLKUUNJPTMI-UHFFFAOYSA-N 2 0 362.905 3.346 20 30 FGEDRP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[C@@H]1CCCC[NH+]1C ZINC000173638208 495627103 /nfs/dbraw/zinc/62/71/03/495627103.db2.gz FBMLZUFPLIJQSH-HNNXBMFYSA-N 2 0 374.554 3.243 20 30 FGEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000185785698 495725410 /nfs/dbraw/zinc/72/54/10/495725410.db2.gz XTSXAJFHUFVVQP-FGZHOGPDSA-N 2 0 354.542 3.256 20 30 FGEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000574611981 505813690 /nfs/dbraw/zinc/81/36/90/505813690.db2.gz RFGBGHPOHKNAFB-FYYLOGMGSA-N 2 0 361.489 3.292 20 30 FGEDRP CN(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181398990 496378774 /nfs/dbraw/zinc/37/87/74/496378774.db2.gz BVAOBZMMWJIYSD-FQEVSTJZSA-N 2 0 352.482 3.008 20 30 FGEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccccc1OC(F)(F)F ZINC000277919443 496936298 /nfs/dbraw/zinc/93/62/98/496936298.db2.gz GTYGERRVLMNNKP-UHFFFAOYSA-N 2 0 356.392 3.186 20 30 FGEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 ZINC000192061253 496980962 /nfs/dbraw/zinc/98/09/62/496980962.db2.gz LAKPKXIHIOXJPX-IRXDYDNUSA-N 2 0 359.489 3.409 20 30 FGEDRP Cc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C ZINC000267388741 497540507 /nfs/dbraw/zinc/54/05/07/497540507.db2.gz CJVVNEFIDYVMLZ-UHFFFAOYSA-N 2 0 366.509 3.187 20 30 FGEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190959117 497661431 /nfs/dbraw/zinc/66/14/31/497661431.db2.gz JCSZYKDBYKBPMN-MRXNPFEDSA-N 2 0 369.488 3.029 20 30 FGEDRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438357 499121638 /nfs/dbraw/zinc/12/16/38/499121638.db2.gz APWWJQIWNZUPME-IAGOWNOFSA-N 2 0 372.513 3.206 20 30 FGEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336426 499422082 /nfs/dbraw/zinc/42/20/82/499422082.db2.gz GNODZAFBXYHPJO-QFUCXCTJSA-N 2 0 355.526 3.467 20 30 FGEDRP C=CCOc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Cl ZINC000415052341 499858575 /nfs/dbraw/zinc/85/85/75/499858575.db2.gz KRONMJYSQQLFPC-UHFFFAOYSA-N 2 0 363.933 3.211 20 30 FGEDRP C=CCOc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415139976 499869656 /nfs/dbraw/zinc/86/96/56/499869656.db2.gz YKAYGPOJWKGBKI-UHFFFAOYSA-N 2 0 365.521 3.335 20 30 FGEDRP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000423577951 500386131 /nfs/dbraw/zinc/38/61/31/500386131.db2.gz TVHIDFLADJSRAO-QGZVFWFLSA-N 2 0 366.484 3.341 20 30 FGEDRP C=CCOc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428432392 500509530 /nfs/dbraw/zinc/50/95/30/500509530.db2.gz YNWSNPCGQJAIJQ-QHCPKHFHSA-N 2 0 366.505 3.320 20 30 FGEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)C(C)C ZINC000448462148 500761970 /nfs/dbraw/zinc/76/19/70/500761970.db2.gz QXCCCJHOYNKWAE-SLFFLAALSA-N 2 0 364.578 3.057 20 30 FGEDRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000481680318 501846848 /nfs/dbraw/zinc/84/68/48/501846848.db2.gz YPDYXINPXMUEEZ-OAQYLSRUSA-N 2 0 364.493 3.451 20 30 FGEDRP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000511616594 503355602 /nfs/dbraw/zinc/35/56/02/503355602.db2.gz NWKCOIZVKHBWLA-UHFFFAOYSA-N 2 0 370.541 3.005 20 30 FGEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)CC1 ZINC000493785667 503446469 /nfs/dbraw/zinc/44/64/69/503446469.db2.gz JOYGUEGYJJILDP-WMZOPIPTSA-N 2 0 362.518 3.049 20 30 FGEDRP C=CCN(C)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000494700823 503595373 /nfs/dbraw/zinc/59/53/73/503595373.db2.gz XMKAXZQTHWADPZ-UHFFFAOYSA-N 2 0 363.505 3.038 20 30 FGEDRP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000533295903 503795400 /nfs/dbraw/zinc/79/54/00/503795400.db2.gz NDKHOHANLKFGBS-SJORKVTESA-N 2 0 374.554 3.150 20 30 FGEDRP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2F)[C@@H](c2ccccc2)C1 ZINC000533312209 503803507 /nfs/dbraw/zinc/80/35/07/503803507.db2.gz DGUHWIVNXDNZDQ-JOCHJYFZSA-N 2 0 366.484 3.166 20 30 FGEDRP C=CCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000530247945 503893039 /nfs/dbraw/zinc/89/30/39/503893039.db2.gz FBGATFOARVXMIZ-SFHVURJKSA-N 2 0 364.917 3.495 20 30 FGEDRP CC[N@H+](CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000537994561 504106185 /nfs/dbraw/zinc/10/61/85/504106185.db2.gz GJDVCWSVONPUHU-OAQYLSRUSA-N 2 0 364.578 3.121 20 30 FGEDRP N#CC1(c2ccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000596993864 506720978 /nfs/dbraw/zinc/72/09/78/506720978.db2.gz WVJVAXAMVWBDSG-UHFFFAOYSA-N 2 0 353.510 3.176 20 30 FGEDRP