smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NCCC[NH+](C)C ZINC000924541000 738426697 /nfs/dbraw/zinc/42/66/97/738426697.db2.gz SNWYRCVTHGQYDG-MRXNPFEDSA-N 1 3 352.523 2.847 20 30 FFEDHO Cc1nc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)sc1C ZINC000262335180 729663708 /nfs/dbraw/zinc/66/37/08/729663708.db2.gz BQVVGBPNJMWDDC-UHFFFAOYSA-N 1 3 357.527 2.829 20 30 FFEDHO C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660573062 972257259 /nfs/dbraw/zinc/25/72/59/972257259.db2.gz GAQVMKGWSQRKHH-PXNSSMCTSA-N 1 3 362.562 2.979 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000891521522 964424811 /nfs/dbraw/zinc/42/48/11/964424811.db2.gz ICDFUNVTDFSDOU-FXAWDEMLSA-N 1 3 362.562 2.966 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211615834 968028022 /nfs/dbraw/zinc/02/80/22/968028022.db2.gz IYSMUGHHMVLSSU-HBMCJLEFSA-N 1 3 355.526 2.877 20 30 FFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H]1CC ZINC001087601101 968318349 /nfs/dbraw/zinc/31/83/49/968318349.db2.gz AFWGPPGPGUWUNS-XUVXKRRUSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H]1CC ZINC001087601101 968318359 /nfs/dbraw/zinc/31/83/59/968318359.db2.gz AFWGPPGPGUWUNS-XUVXKRRUSA-N 1 3 363.546 2.565 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2CC)CC1 ZINC001087840067 970522825 /nfs/dbraw/zinc/52/28/25/970522825.db2.gz GFSXKIHVANPHKQ-LEWJYISDSA-N 1 3 357.542 2.801 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2CC)CC1 ZINC001087840067 970522831 /nfs/dbraw/zinc/52/28/31/970522831.db2.gz GFSXKIHVANPHKQ-LEWJYISDSA-N 1 3 357.542 2.801 20 30 FFEDHO C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N1CC[C@H](N2CCCCC2)C1 ZINC000262502231 973866498 /nfs/dbraw/zinc/86/64/98/973866498.db2.gz YTIZFCRGBLTUJL-KRWDZBQOSA-N 1 3 374.920 2.623 20 30 FFEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]CC)CC1 ZINC000261646869 977407986 /nfs/dbraw/zinc/40/79/86/977407986.db2.gz DRNGIRCXDKSPIN-ZCNNSNEGSA-N 1 3 374.573 2.930 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N(C)C2CCC(NCc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC000963337900 1014591208 /nfs/dbraw/zinc/59/12/08/1014591208.db2.gz LNVRJBQNCHFRMC-XZSMBWTPSA-N 1 3 368.525 2.758 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N(C)C2CCC(NCc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000963337900 1014591212 /nfs/dbraw/zinc/59/12/12/1014591212.db2.gz LNVRJBQNCHFRMC-XZSMBWTPSA-N 1 3 368.525 2.758 20 30 FFEDHO CN(Cc1cc(C#N)cc(C[N@H+](C)C[C@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000877972966 1014793578 /nfs/dbraw/zinc/79/35/78/1014793578.db2.gz QUIXWYVDGHTKPY-NHCUHLMSSA-N 1 3 357.498 2.780 20 30 FFEDHO CN(Cc1cc(C#N)cc(C[N@@H+](C)C[C@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000877972966 1014793596 /nfs/dbraw/zinc/79/35/96/1014793596.db2.gz QUIXWYVDGHTKPY-NHCUHLMSSA-N 1 3 357.498 2.780 20 30 FFEDHO C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552962 984683274 /nfs/dbraw/zinc/68/32/74/984683274.db2.gz YDGUHHJBUQPGNI-WIYYLYMNSA-N 1 3 365.562 2.528 20 30 FFEDHO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552962 984683277 /nfs/dbraw/zinc/68/32/77/984683277.db2.gz YDGUHHJBUQPGNI-WIYYLYMNSA-N 1 3 365.562 2.528 20 30 FFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N3CCCCC3)CCC[C@@H]12 ZINC001107646755 984938557 /nfs/dbraw/zinc/93/85/57/984938557.db2.gz UVUWGYXYPJVLOM-KCZVDYSFSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N3CCCCC3)CCC[C@@H]12 ZINC001107646755 984938566 /nfs/dbraw/zinc/93/85/66/984938566.db2.gz UVUWGYXYPJVLOM-KCZVDYSFSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCN(C(=O)NCc1ccccc1C[NH+](CC)CC)C1CCN(C)CC1 ZINC000913948350 987061863 /nfs/dbraw/zinc/06/18/63/987061863.db2.gz DWLRITRHUIOPFE-UHFFFAOYSA-N 1 3 370.541 2.767 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212454712 987407104 /nfs/dbraw/zinc/40/71/04/987407104.db2.gz BPSCQCAWNQXJLO-RTBURBONSA-N 1 3 365.562 2.648 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCC2(C)CCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC001484137358 991408582 /nfs/dbraw/zinc/40/85/82/991408582.db2.gz WYQGOGXWDQLHFH-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCC2(C)CCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001484137358 991408587 /nfs/dbraw/zinc/40/85/87/991408587.db2.gz WYQGOGXWDQLHFH-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1F ZINC001079298753 991986307 /nfs/dbraw/zinc/98/63/07/991986307.db2.gz FGWHORRWQGGNGX-SXLOBPIMSA-N 1 3 359.489 2.626 20 30 FFEDHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001054040987 1015928255 /nfs/dbraw/zinc/92/82/55/1015928255.db2.gz CBVLCVQGWGBOND-QHAWAJNXSA-N 1 3 355.526 2.836 20 30 FFEDHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054040987 1015928263 /nfs/dbraw/zinc/92/82/63/1015928263.db2.gz CBVLCVQGWGBOND-QHAWAJNXSA-N 1 3 355.526 2.836 20 30 FFEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112586201 1001537978 /nfs/dbraw/zinc/53/79/78/1001537978.db2.gz MKTLYKYWTXGGCD-SCTDSRPQSA-N 1 3 353.938 2.832 20 30 FFEDHO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001186189740 1003213278 /nfs/dbraw/zinc/21/32/78/1003213278.db2.gz QOVOFXXLAPZMEZ-MISYRCLQSA-N 1 3 361.505 2.874 20 30 FFEDHO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001186189740 1003213289 /nfs/dbraw/zinc/21/32/89/1003213289.db2.gz QOVOFXXLAPZMEZ-MISYRCLQSA-N 1 3 361.505 2.874 20 30 FFEDHO C[C@@H]1CCCN(C(=[NH2+])NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000104170692 1009931970 /nfs/dbraw/zinc/93/19/70/1009931970.db2.gz LVAHAENZPBABFY-LJQANCHMSA-N 1 3 357.546 2.635 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC001094582522 1011265974 /nfs/dbraw/zinc/26/59/74/1011265974.db2.gz PZWYQSQVJXOBOM-IFMALSPDSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC001094582522 1011265986 /nfs/dbraw/zinc/26/59/86/1011265986.db2.gz PZWYQSQVJXOBOM-IFMALSPDSA-N 1 3 359.558 2.739 20 30 FFEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172976443 1012147665 /nfs/dbraw/zinc/14/76/65/1012147665.db2.gz PSWSAIXCFHOBNK-SFFUCWETSA-N 1 3 362.518 2.883 20 30 FFEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172976443 1012147672 /nfs/dbraw/zinc/14/76/72/1012147672.db2.gz PSWSAIXCFHOBNK-SFFUCWETSA-N 1 3 362.518 2.883 20 30 FFEDHO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@H](C)C1 ZINC001172980273 1012149398 /nfs/dbraw/zinc/14/93/98/1012149398.db2.gz VTNMRPFIIPUEEQ-ZJPYXAASSA-N 1 3 364.534 2.986 20 30 FFEDHO CCOc1cc(CNC(=[NH2+])NC[C@H]2CCCN2CC)ccc1OC(F)F ZINC000303872193 1012475737 /nfs/dbraw/zinc/47/57/37/1012475737.db2.gz BWIAAPKNOVEBJM-CQSZACIVSA-N 1 3 370.444 2.575 20 30 FFEDHO CCCCN(C)CCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173423826 1012573459 /nfs/dbraw/zinc/57/34/59/1012573459.db2.gz NVQUISSCYZRYPZ-UHFFFAOYSA-N 1 3 356.514 2.874 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000304760078 1012865102 /nfs/dbraw/zinc/86/51/02/1012865102.db2.gz RWGJQKXWOIRGGI-WMZOPIPTSA-N 1 3 361.534 2.784 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001074015595 1020623281 /nfs/dbraw/zinc/62/32/81/1020623281.db2.gz GJIMJXJWZXPULT-DUXKGJEZSA-N 1 3 368.525 2.711 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001074015595 1020623293 /nfs/dbraw/zinc/62/32/93/1020623293.db2.gz GJIMJXJWZXPULT-DUXKGJEZSA-N 1 3 368.525 2.711 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001099262041 1022185453 /nfs/dbraw/zinc/18/54/53/1022185453.db2.gz BUXRNKYPFSALDF-BZUAXINKSA-N 1 3 359.436 2.558 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001099262041 1022185458 /nfs/dbraw/zinc/18/54/58/1022185458.db2.gz BUXRNKYPFSALDF-BZUAXINKSA-N 1 3 359.436 2.558 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099345809 1022338081 /nfs/dbraw/zinc/33/80/81/1022338081.db2.gz VESHAGFMXDBPEH-HZPDHXFCSA-N 1 3 355.404 2.527 20 30 FFEDHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1)N(C)C ZINC001099453408 1022552804 /nfs/dbraw/zinc/55/28/04/1022552804.db2.gz KCOGTJJUEAHZKM-VWPQPMDRSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCCCN1C[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363691 1033124562 /nfs/dbraw/zinc/12/45/62/1033124562.db2.gz ZLDBUJKLKHVQOO-VQTJNVASSA-N 1 3 363.546 2.519 20 30 FFEDHO C=CCCCN1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218363691 1033124567 /nfs/dbraw/zinc/12/45/67/1033124567.db2.gz ZLDBUJKLKHVQOO-VQTJNVASSA-N 1 3 363.546 2.519 20 30 FFEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001160475869 1027720439 /nfs/dbraw/zinc/72/04/39/1027720439.db2.gz MDWOAMWMVAPMEH-LVQVYYBASA-N 1 3 371.485 2.853 20 30 FFEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001160475869 1027720453 /nfs/dbraw/zinc/72/04/53/1027720453.db2.gz MDWOAMWMVAPMEH-LVQVYYBASA-N 1 3 371.485 2.853 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+]([C@H](C)CCC=C)C[C@H]2C)CC1 ZINC001103751889 1028138999 /nfs/dbraw/zinc/13/89/99/1028138999.db2.gz XKXNRCMWRYZXBC-SFHLNBCPSA-N 1 3 359.558 2.761 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@H](C)CCC=C)C[C@H]2C)CC1 ZINC001103751889 1028139008 /nfs/dbraw/zinc/13/90/08/1028139008.db2.gz XKXNRCMWRYZXBC-SFHLNBCPSA-N 1 3 359.558 2.761 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205412419 1031722528 /nfs/dbraw/zinc/72/25/28/1031722528.db2.gz NPBXREQMFVKWHC-GBESFXJTSA-N 1 3 365.468 2.576 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cccc(F)c1 ZINC001205434984 1031742815 /nfs/dbraw/zinc/74/28/15/1031742815.db2.gz YCZFFUCOINABOY-LSTHTHJFSA-N 1 3 359.489 2.770 20 30 FFEDHO CCC(=O)C1(c2cccc(O[C@H](CC#N)C[N+](C)(C)C)c2)CCN(C)CC1 ZINC001229735428 1036857820 /nfs/dbraw/zinc/85/78/20/1036857820.db2.gz HSUWGWMRXADYNJ-HXUWFJFHSA-N 1 3 372.533 2.996 20 30 FFEDHO C=CCOCCN1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210236901 1039441590 /nfs/dbraw/zinc/44/15/90/1039441590.db2.gz VZPSWMPIIVFRER-RTBURBONSA-N 1 3 353.551 2.528 20 30 FFEDHO C=CCN(CC=C)CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255121230 1041155866 /nfs/dbraw/zinc/15/58/66/1041155866.db2.gz WRAJGECJNCCPFI-HSZRJFAPSA-N 1 3 368.569 2.553 20 30 FFEDHO C=CCN(CC=C)CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255121230 1041155875 /nfs/dbraw/zinc/15/58/75/1041155875.db2.gz WRAJGECJNCCPFI-HSZRJFAPSA-N 1 3 368.569 2.553 20 30 FFEDHO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001263288384 1042223024 /nfs/dbraw/zinc/22/30/24/1042223024.db2.gz QLDYFUUFYISXMH-UHFFFAOYSA-N 1 3 360.550 2.584 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)CC#Cc2ccccc2)CC[N@@H+]1C ZINC001266043402 1042890717 /nfs/dbraw/zinc/89/07/17/1042890717.db2.gz WVMCDHKQQJHNON-LEWJYISDSA-N 1 3 355.526 2.597 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NCCCN(CC)CC#Cc2ccccc2)CC[N@H+]1C ZINC001266043402 1042890721 /nfs/dbraw/zinc/89/07/21/1042890721.db2.gz WVMCDHKQQJHNON-LEWJYISDSA-N 1 3 355.526 2.597 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC#Cc1ccccc1 ZINC001316708522 1043945322 /nfs/dbraw/zinc/94/53/22/1043945322.db2.gz NRJHFBVHXFBSTO-IRLDBZIGSA-N 1 3 369.553 2.987 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC#Cc1ccccc1 ZINC001316708522 1043945327 /nfs/dbraw/zinc/94/53/27/1043945327.db2.gz NRJHFBVHXFBSTO-IRLDBZIGSA-N 1 3 369.553 2.987 20 30 FFEDHO C#CCN(C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC)C1CCN(C)CC1 ZINC001563640672 1076572730 /nfs/dbraw/zinc/57/27/30/1076572730.db2.gz UMFDWOFNAARSDG-NRFANRHFSA-N 1 3 370.541 2.809 20 30 FFEDHO C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001569452140 1077146166 /nfs/dbraw/zinc/14/61/66/1077146166.db2.gz NSNISPBGLAMCPM-CRAIPNDOSA-N 1 3 353.938 2.782 20 30 FFEDHO C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001569452140 1077146168 /nfs/dbraw/zinc/14/61/68/1077146168.db2.gz NSNISPBGLAMCPM-CRAIPNDOSA-N 1 3 353.938 2.782 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000369324105 512351430 /nfs/dbraw/zinc/35/14/30/512351430.db2.gz SDVKYADKAWZDQL-RBUKOAKNSA-N 1 3 362.562 2.933 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000369324105 512351436 /nfs/dbraw/zinc/35/14/36/512351436.db2.gz SDVKYADKAWZDQL-RBUKOAKNSA-N 1 3 362.562 2.933 20 30 FFEDHO C#CCOc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937367 507939920 /nfs/dbraw/zinc/93/99/20/507939920.db2.gz MOFJOSPTPFRBER-KRWDZBQOSA-N 1 3 353.466 2.885 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000143025092 508827059 /nfs/dbraw/zinc/82/70/59/508827059.db2.gz MYMPIJYWPNIZOK-NRFANRHFSA-N 1 3 353.510 2.593 20 30 FFEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](CN(C)C)C3)sc2C1 ZINC000265182643 509906386 /nfs/dbraw/zinc/90/63/86/509906386.db2.gz WTMIVNTZHPITGH-GJZGRUSLSA-N 1 3 374.554 2.957 20 30 FFEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](CN(C)C)C3)sc2C1 ZINC000265182643 509906394 /nfs/dbraw/zinc/90/63/94/509906394.db2.gz WTMIVNTZHPITGH-GJZGRUSLSA-N 1 3 374.554 2.957 20 30 FFEDHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000174350446 510072367 /nfs/dbraw/zinc/07/23/67/510072367.db2.gz PGUJPJQARCZFOG-UHFFFAOYSA-N 1 3 364.493 2.824 20 30 FFEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@@H](O)C1)Nc1ccc2c(c1)CCC2 ZINC000262267757 510226166 /nfs/dbraw/zinc/22/61/66/510226166.db2.gz UDRSSIGFXQEOFV-OAQYLSRUSA-N 1 3 364.493 2.669 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000171694852 510313078 /nfs/dbraw/zinc/31/30/78/510313078.db2.gz SKZTUCZWOHOJKW-FQEVSTJZSA-N 1 3 356.514 2.773 20 30 FFEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000171704202 510318497 /nfs/dbraw/zinc/31/84/97/510318497.db2.gz JKVPVVKOLYOVRP-UHFFFAOYSA-N 1 3 356.514 2.732 20 30 FFEDHO CN1CC[NH+]=C1NC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262661106 510357441 /nfs/dbraw/zinc/35/74/41/510357441.db2.gz MXUWYHGWWNCAQF-HOCLYGCPSA-N 1 3 354.420 2.979 20 30 FFEDHO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262826323 510430364 /nfs/dbraw/zinc/43/03/64/510430364.db2.gz ZVQFQMLNTOWRKK-HQSKLWIPSA-N 1 3 364.921 2.554 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000360973621 510973091 /nfs/dbraw/zinc/97/30/91/510973091.db2.gz VCRXXAWQUZGDBG-LJQANCHMSA-N 1 3 362.562 2.790 20 30 FFEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279432966 511081411 /nfs/dbraw/zinc/08/14/11/511081411.db2.gz DQTYERSZSAXBON-VQIMIIECSA-N 1 3 352.482 2.867 20 30 FFEDHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279432966 511081415 /nfs/dbraw/zinc/08/14/15/511081415.db2.gz DQTYERSZSAXBON-VQIMIIECSA-N 1 3 352.482 2.867 20 30 FFEDHO C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292428082 511593782 /nfs/dbraw/zinc/59/37/82/511593782.db2.gz QLURTIANZOSABF-LPHOPBHVSA-N 1 3 350.466 2.573 20 30 FFEDHO C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000292428082 511593790 /nfs/dbraw/zinc/59/37/90/511593790.db2.gz QLURTIANZOSABF-LPHOPBHVSA-N 1 3 350.466 2.573 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000281507034 511872257 /nfs/dbraw/zinc/87/22/57/511872257.db2.gz ILBULYSADPOHOI-ZVDOUQERSA-N 1 3 362.477 2.716 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000281507034 511872263 /nfs/dbraw/zinc/87/22/63/511872263.db2.gz ILBULYSADPOHOI-ZVDOUQERSA-N 1 3 362.477 2.716 20 30 FFEDHO CN1CCC2(CCCN2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000329160934 511995714 /nfs/dbraw/zinc/99/57/14/511995714.db2.gz YPNCWSIOVQEFLL-UHFFFAOYSA-N 1 3 371.529 2.772 20 30 FFEDHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000415967675 513505867 /nfs/dbraw/zinc/50/58/67/513505867.db2.gz BSGSUERUQNCXQQ-UHFFFAOYSA-N 1 3 365.481 2.873 20 30 FFEDHO C[NH+](C)CC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435128639 513519193 /nfs/dbraw/zinc/51/91/93/513519193.db2.gz ITUOIQPKYZZADI-UHFFFAOYSA-N 1 3 352.486 2.632 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431948169 514049557 /nfs/dbraw/zinc/04/95/57/514049557.db2.gz DDLQLENCMQJCIE-PKOBYXMFSA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)C(C)C ZINC000503436382 515033149 /nfs/dbraw/zinc/03/31/49/515033149.db2.gz KPXUMVKDGKIVEF-IBGZPJMESA-N 1 3 350.551 2.668 20 30 FFEDHO CN(CCNC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1)Cc1ccccc1 ZINC000559107745 517084045 /nfs/dbraw/zinc/08/40/45/517084045.db2.gz SPIOJYLDKFJJNL-TZIWHRDSSA-N 1 3 368.525 2.639 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000582463343 518763902 /nfs/dbraw/zinc/76/39/02/518763902.db2.gz AIARKHAXHYIZNT-UHFFFAOYSA-N 1 3 374.533 2.620 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565567560 519019876 /nfs/dbraw/zinc/01/98/76/519019876.db2.gz UBJZICGDMLWCLM-FBBABVLZSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000565567560 519019883 /nfs/dbraw/zinc/01/98/83/519019883.db2.gz UBJZICGDMLWCLM-FBBABVLZSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000565567560 519019895 /nfs/dbraw/zinc/01/98/95/519019895.db2.gz UBJZICGDMLWCLM-FBBABVLZSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000583688478 519382546 /nfs/dbraw/zinc/38/25/46/519382546.db2.gz KWULHARMUUBRML-QGZVFWFLSA-N 1 3 363.527 2.576 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000583688478 519382555 /nfs/dbraw/zinc/38/25/55/519382555.db2.gz KWULHARMUUBRML-QGZVFWFLSA-N 1 3 363.527 2.576 20 30 FFEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000609029853 520180643 /nfs/dbraw/zinc/18/06/43/520180643.db2.gz SOXJWDGZSIQHSK-OAQYLSRUSA-N 1 3 367.493 2.882 20 30 FFEDHO CN1CCCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000598994492 520965903 /nfs/dbraw/zinc/96/59/03/520965903.db2.gz ORYPOYOZPKDEQI-QGZVFWFLSA-N 1 3 352.486 2.680 20 30 FFEDHO CC[NH+]=C(NCC(C)(C)N1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262458435 729666820 /nfs/dbraw/zinc/66/68/20/729666820.db2.gz RWSXBHKPJBLQQB-BBWFWOEESA-N 1 3 350.551 2.620 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)cc1C ZINC000304763326 729737460 /nfs/dbraw/zinc/73/74/60/729737460.db2.gz WQZPQOBQNSMVNA-HNNXBMFYSA-N 1 3 353.308 2.646 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1([NH+](C)C)CCC1 ZINC000782644856 738742872 /nfs/dbraw/zinc/74/28/72/738742872.db2.gz VGKBKULUUFDGEE-AWEZNQCLSA-N 1 3 356.495 2.889 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1([NH+](C)C)CCC1 ZINC000782644857 738742939 /nfs/dbraw/zinc/74/29/39/738742939.db2.gz VGKBKULUUFDGEE-CQSZACIVSA-N 1 3 356.495 2.889 20 30 FFEDHO C[C@@H]1C[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC[N@@H+]1C ZINC000741791476 735162742 /nfs/dbraw/zinc/16/27/42/735162742.db2.gz VKMBBMYDKHZMQI-KFWWJZLASA-N 1 3 356.495 2.887 20 30 FFEDHO C[C@@H]1C[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC[N@H+]1C ZINC000741791476 735162745 /nfs/dbraw/zinc/16/27/45/735162745.db2.gz VKMBBMYDKHZMQI-KFWWJZLASA-N 1 3 356.495 2.887 20 30 FFEDHO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000832778103 745753533 /nfs/dbraw/zinc/75/35/33/745753533.db2.gz IBIIRHJKMVRPLK-CABCVRRESA-N 1 3 356.495 2.887 20 30 FFEDHO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000832778103 745753537 /nfs/dbraw/zinc/75/35/37/745753537.db2.gz IBIIRHJKMVRPLK-CABCVRRESA-N 1 3 356.495 2.887 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000896208403 971332364 /nfs/dbraw/zinc/33/23/64/971332364.db2.gz GPBSELKVTDBPJL-HXUWFJFHSA-N 1 3 359.514 2.891 20 30 FFEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262352903 972053661 /nfs/dbraw/zinc/05/36/61/972053661.db2.gz FLPGTNLFBUALMP-IPMKNSEASA-N 1 3 362.562 2.786 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001021262143 961339741 /nfs/dbraw/zinc/33/97/41/961339741.db2.gz HZYHSEPBOSNGPZ-HQIVZWLNSA-N 1 3 366.509 2.510 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001021262143 961339762 /nfs/dbraw/zinc/33/97/62/961339762.db2.gz HZYHSEPBOSNGPZ-HQIVZWLNSA-N 1 3 366.509 2.510 20 30 FFEDHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104288051 961836368 /nfs/dbraw/zinc/83/63/68/961836368.db2.gz RTWOCWKJJYUFEA-TZIWHRDSSA-N 1 3 367.537 2.597 20 30 FFEDHO C[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262013385 965313614 /nfs/dbraw/zinc/31/36/14/965313614.db2.gz XEORNXQLPPZCEY-CADBVGFASA-N 1 3 360.550 2.604 20 30 FFEDHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001087213713 966622534 /nfs/dbraw/zinc/62/25/34/966622534.db2.gz IZGQZFLKEPGNGE-UXPWSPDFSA-N 1 3 356.514 2.615 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C(F)(F)F ZINC001112175140 972542173 /nfs/dbraw/zinc/54/21/73/972542173.db2.gz MJEQAZTULCHFOB-BZUAXINKSA-N 1 3 361.452 2.804 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106758 972824447 /nfs/dbraw/zinc/82/44/47/972824447.db2.gz PLXYXOBXAPSDMO-FUHIMQAGSA-N 1 3 351.510 2.555 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106758 972824454 /nfs/dbraw/zinc/82/44/54/972824454.db2.gz PLXYXOBXAPSDMO-FUHIMQAGSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529485 975346188 /nfs/dbraw/zinc/34/61/88/975346188.db2.gz BDYSTOAHEMJXRD-VDGAXYAQSA-N 1 3 351.510 2.603 20 30 FFEDHO [NH2+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000261613235 977363700 /nfs/dbraw/zinc/36/37/00/977363700.db2.gz GFWWCYPQLMOVAS-AQNXPRMDSA-N 1 3 368.525 2.513 20 30 FFEDHO N#CC1(c2cccnc2-n2cc(C[NH3+])cn2)CCN(Cc2ccccc2)CC1 ZINC001168256547 981173091 /nfs/dbraw/zinc/17/30/91/981173091.db2.gz DCUWXFPGQWMAQQ-UHFFFAOYSA-N 1 3 372.476 2.783 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCC=C)CC3)CC1 ZINC001107643255 984926610 /nfs/dbraw/zinc/92/66/10/984926610.db2.gz DAJWIHNZQIJUNA-IFMALSPDSA-N 1 3 357.542 2.659 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCC=C)CC3)CC1 ZINC001107643255 984926614 /nfs/dbraw/zinc/92/66/14/984926614.db2.gz DAJWIHNZQIJUNA-IFMALSPDSA-N 1 3 357.542 2.659 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)[C@@H]2C)CC1 ZINC001089059324 986139909 /nfs/dbraw/zinc/13/99/09/986139909.db2.gz IILQEGKIPUONJG-NQIIRXRSSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)[C@@H]2C)CC1 ZINC001089059324 986139914 /nfs/dbraw/zinc/13/99/14/986139914.db2.gz IILQEGKIPUONJG-NQIIRXRSSA-N 1 3 359.558 2.881 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079153706 991819974 /nfs/dbraw/zinc/81/99/74/991819974.db2.gz WKIALTBFWFZTIM-ZCNNSNEGSA-N 1 3 361.505 2.872 20 30 FFEDHO CC(C)[C@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)N(C)C ZINC001183366081 1002258294 /nfs/dbraw/zinc/25/82/94/1002258294.db2.gz MFWVTNYAFILGTB-VAMGGRTRSA-N 1 3 356.514 2.743 20 30 FFEDHO CC1CCN([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000852861991 1006212359 /nfs/dbraw/zinc/21/23/59/1006212359.db2.gz PENFKWACTRTIHB-NRFANRHFSA-N 1 3 353.510 2.579 20 30 FFEDHO Cc1cccc(N(C(=O)C(C#N)Cc2cccs2)C2CC[NH2+]CC2)n1 ZINC001177912409 1008783009 /nfs/dbraw/zinc/78/30/09/1008783009.db2.gz PIGQDLASHZYLGQ-HNNXBMFYSA-N 1 3 354.479 2.919 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001093224459 1010167651 /nfs/dbraw/zinc/16/76/51/1010167651.db2.gz WVZFQULWJXYKLU-WOIUINJBSA-N 1 3 367.537 2.777 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001093224459 1010167658 /nfs/dbraw/zinc/16/76/58/1010167658.db2.gz WVZFQULWJXYKLU-WOIUINJBSA-N 1 3 367.537 2.777 20 30 FFEDHO C=CCCC[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001276338314 1011945047 /nfs/dbraw/zinc/94/50/47/1011945047.db2.gz HZWVTYDKSITABG-RBBKRZOGSA-N 1 3 355.526 2.832 20 30 FFEDHO C=CCCC[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001276338314 1011945059 /nfs/dbraw/zinc/94/50/59/1011945059.db2.gz HZWVTYDKSITABG-RBBKRZOGSA-N 1 3 355.526 2.832 20 30 FFEDHO CCCCCCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275119949 1011970473 /nfs/dbraw/zinc/97/04/73/1011970473.db2.gz ZCANONYMGCGHNR-OAQYLSRUSA-N 1 3 367.578 2.850 20 30 FFEDHO CCCCCCCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275119949 1011970479 /nfs/dbraw/zinc/97/04/79/1011970479.db2.gz ZCANONYMGCGHNR-OAQYLSRUSA-N 1 3 367.578 2.850 20 30 FFEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172981913 1012151779 /nfs/dbraw/zinc/15/17/79/1012151779.db2.gz PSWSAIXCFHOBNK-DZVNLGKHSA-N 1 3 362.518 2.883 20 30 FFEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172981913 1012151789 /nfs/dbraw/zinc/15/17/89/1012151789.db2.gz PSWSAIXCFHOBNK-DZVNLGKHSA-N 1 3 362.518 2.883 20 30 FFEDHO C[NH+](C)CC1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172984295 1012154770 /nfs/dbraw/zinc/15/47/70/1012154770.db2.gz LVRTVJNSUXWQTI-SJORKVTESA-N 1 3 350.507 2.552 20 30 FFEDHO C[C@@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000925816129 1017857882 /nfs/dbraw/zinc/85/78/82/1017857882.db2.gz FZYHHFVBTXNVGG-MRXNPFEDSA-N 1 3 352.457 2.953 20 30 FFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001017981682 1022328805 /nfs/dbraw/zinc/32/88/05/1022328805.db2.gz SATRIYHXOOKPCD-MBDNFAEBSA-N 1 3 367.537 2.973 20 30 FFEDHO C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017981682 1022328820 /nfs/dbraw/zinc/32/88/20/1022328820.db2.gz SATRIYHXOOKPCD-MBDNFAEBSA-N 1 3 367.537 2.973 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099346744 1022340604 /nfs/dbraw/zinc/34/06/04/1022340604.db2.gz KLZHOODXBQTJOM-OAGGEKHMSA-N 1 3 361.452 2.662 20 30 FFEDHO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001122401769 1023246275 /nfs/dbraw/zinc/24/62/75/1023246275.db2.gz FMUJNHMPJIGBNQ-IAGOWNOFSA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083814 1026944920 /nfs/dbraw/zinc/94/49/20/1026944920.db2.gz KNAIZSQWMQGVKA-NXHRZFHOSA-N 1 3 355.954 2.791 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083814 1026944928 /nfs/dbraw/zinc/94/49/28/1026944928.db2.gz KNAIZSQWMQGVKA-NXHRZFHOSA-N 1 3 355.954 2.791 20 30 FFEDHO CN1CCC(N(c2nc(C#N)c(Cl)cc2Cl)C2CC[NH2+]CC2)CC1 ZINC001158589136 1027070095 /nfs/dbraw/zinc/07/00/95/1027070095.db2.gz LJYODOMSPGVMSG-UHFFFAOYSA-N 1 3 368.312 2.913 20 30 FFEDHO C=CCOC(=O)N1CCC2(CCN(CC[C@H]3COC(C)(C)[NH2+]3)CC2)CC1 ZINC001204848253 1031453917 /nfs/dbraw/zinc/45/39/17/1031453917.db2.gz MHALWDREDVASRS-KRWDZBQOSA-N 1 3 365.518 2.602 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001205292700 1031653458 /nfs/dbraw/zinc/65/34/58/1031653458.db2.gz NQNSIAUGWYCJIW-LEWJYISDSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1cccc(F)c1 ZINC001205422851 1031734830 /nfs/dbraw/zinc/73/48/30/1031734830.db2.gz UCKCJRCVTFPSOG-VQTJNVASSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1F ZINC001205619364 1031875647 /nfs/dbraw/zinc/87/56/47/1031875647.db2.gz BPTIOEIETBODCU-DFQSSKMNSA-N 1 3 359.489 2.626 20 30 FFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C#N)cc1OC(F)(F)F ZINC001218839670 1033369042 /nfs/dbraw/zinc/36/90/42/1033369042.db2.gz CWWVBAJCNQIDPV-ZDUSSCGKSA-N 1 3 372.391 2.891 20 30 FFEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccccc1-c1ccc(C#N)cn1 ZINC001219422988 1033641254 /nfs/dbraw/zinc/64/12/54/1033641254.db2.gz SYWRSJOAAFGROH-KRWDZBQOSA-N 1 3 351.454 2.618 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922775 1033892025 /nfs/dbraw/zinc/89/20/25/1033892025.db2.gz GKHXGAZHEFDNHW-MOPGFXCFSA-N 1 3 367.578 2.771 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922775 1033892034 /nfs/dbraw/zinc/89/20/34/1033892034.db2.gz GKHXGAZHEFDNHW-MOPGFXCFSA-N 1 3 367.578 2.771 20 30 FFEDHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC001228254769 1036014652 /nfs/dbraw/zinc/01/46/52/1036014652.db2.gz HZPLUYKHIHZERS-WOJBJXKFSA-N 1 3 359.489 2.536 20 30 FFEDHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C ZINC001228647245 1036229119 /nfs/dbraw/zinc/22/91/19/1036229119.db2.gz PSHFHWCZCWYYBU-QRVBRYPASA-N 1 3 360.477 2.555 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000836489048 1036585994 /nfs/dbraw/zinc/58/59/94/1036585994.db2.gz VAAINXVUJJGTPA-CTNGQTDRSA-N 1 3 370.541 2.541 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000836489048 1036586003 /nfs/dbraw/zinc/58/60/03/1036586003.db2.gz VAAINXVUJJGTPA-CTNGQTDRSA-N 1 3 370.541 2.541 20 30 FFEDHO N#Cc1ccc(Oc2ccc(CN3CCC[C@@H](N4CC([NH3+])C4)C3)cc2)cc1 ZINC001236077506 1037920803 /nfs/dbraw/zinc/92/08/03/1037920803.db2.gz ISLUISZIAMVIDQ-HXUWFJFHSA-N 1 3 362.477 2.958 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001251528623 1039167629 /nfs/dbraw/zinc/16/76/29/1039167629.db2.gz PTNIUYZKCSPWLP-UHFFFAOYSA-N 1 3 370.541 2.543 20 30 FFEDHO C=CCCCCCC[C@H](O)CN1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246028832 1039203623 /nfs/dbraw/zinc/20/36/23/1039203623.db2.gz LDGYNBCQABEZLO-ZJOUEHCJSA-N 1 3 366.546 2.739 20 30 FFEDHO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CNCCC[C@]2(C(=O)OCC)C1 ZINC001246028832 1039203631 /nfs/dbraw/zinc/20/36/31/1039203631.db2.gz LDGYNBCQABEZLO-ZJOUEHCJSA-N 1 3 366.546 2.739 20 30 FFEDHO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CNCCC[C@]2(C(=O)OCC)C1 ZINC001246028832 1039203650 /nfs/dbraw/zinc/20/36/50/1039203650.db2.gz LDGYNBCQABEZLO-ZJOUEHCJSA-N 1 3 366.546 2.739 20 30 FFEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001278680650 1039685347 /nfs/dbraw/zinc/68/53/47/1039685347.db2.gz DFIGAPDIRBNBEB-NRFANRHFSA-N 1 3 358.505 2.937 20 30 FFEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001213326044 1040454363 /nfs/dbraw/zinc/45/43/63/1040454363.db2.gz TXCVESXDMVUFJR-HSALFYBXSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001213326044 1040454372 /nfs/dbraw/zinc/45/43/72/1040454372.db2.gz TXCVESXDMVUFJR-HSALFYBXSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326044 1040454380 /nfs/dbraw/zinc/45/43/80/1040454380.db2.gz TXCVESXDMVUFJR-HSALFYBXSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326044 1040454387 /nfs/dbraw/zinc/45/43/87/1040454387.db2.gz TXCVESXDMVUFJR-HSALFYBXSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434860 1040548748 /nfs/dbraw/zinc/54/87/48/1040548748.db2.gz NRRTUSPRKUTSSH-CEXWTWQISA-N 1 3 353.551 2.669 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](Cc4cncs4)C[C@H]3CC2)cc1C#N ZINC001279286187 1042983998 /nfs/dbraw/zinc/98/39/98/1042983998.db2.gz GSYMIWWXFAHRTG-CALCHBBNSA-N 1 3 355.511 2.697 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](Cc4cncs4)C[C@H]3CC2)cc1C#N ZINC001279286187 1042983999 /nfs/dbraw/zinc/98/39/99/1042983999.db2.gz GSYMIWWXFAHRTG-CALCHBBNSA-N 1 3 355.511 2.697 20 30 FFEDHO C#CCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C1CC[NH+](C)CC1 ZINC001311570674 1043939913 /nfs/dbraw/zinc/93/99/13/1043939913.db2.gz HGJGDWLXYDDGFB-NRFANRHFSA-N 1 3 370.541 2.591 20 30 FFEDHO C=C(Cl)CNCC1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001282059126 1045331099 /nfs/dbraw/zinc/33/10/99/1045331099.db2.gz VXRMZBJNPSROEN-AWRGBYNESA-N 1 3 361.917 2.569 20 30 FFEDHO C=C(Cl)CNCC1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001282059126 1045331105 /nfs/dbraw/zinc/33/11/05/1045331105.db2.gz VXRMZBJNPSROEN-AWRGBYNESA-N 1 3 361.917 2.569 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001291641595 1048775891 /nfs/dbraw/zinc/77/58/91/1048775891.db2.gz PMWDQOJZUZICIA-VQTJNVASSA-N 1 3 356.514 2.569 20 30 FFEDHO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001343428499 1052226658 /nfs/dbraw/zinc/22/66/58/1052226658.db2.gz MBPSVXVAZGBOHB-QGZVFWFLSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001346526131 1053073074 /nfs/dbraw/zinc/07/30/74/1053073074.db2.gz GGXMCYXPJOCGKM-GOSISDBHSA-N 1 3 374.577 2.974 20 30 FFEDHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1O2 ZINC001356569813 1055588754 /nfs/dbraw/zinc/58/87/54/1055588754.db2.gz PMDUSDBSYLMLQU-FUHWJXTLSA-N 1 3 357.498 2.865 20 30 FFEDHO C#CCOc1ccccc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847766524 1056568760 /nfs/dbraw/zinc/56/87/60/1056568760.db2.gz QXUFZZMXHNVCND-UHFFFAOYSA-N 1 3 369.509 2.833 20 30 FFEDHO CC(C)N(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001575681495 1078163551 /nfs/dbraw/zinc/16/35/51/1078163551.db2.gz NGHGJNUJOGFIFK-NRFANRHFSA-N 1 3 353.510 2.501 20 30 FFEDHO N#CC1(c2ccccc2)CC([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000128089214 508545638 /nfs/dbraw/zinc/54/56/38/508545638.db2.gz BQTLLBMFNPELQV-PWAJEDTMSA-N 1 3 353.510 2.968 20 30 FFEDHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000121164378 509142443 /nfs/dbraw/zinc/14/24/43/509142443.db2.gz TUTOWDMVXXSTOA-QGZVFWFLSA-N 1 3 373.545 2.608 20 30 FFEDHO N#C[C@@H]1CCC[C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000248866297 509518187 /nfs/dbraw/zinc/51/81/87/509518187.db2.gz QDHPXDNABPLHJX-AHRSYUTCSA-N 1 3 354.498 2.556 20 30 FFEDHO N#C[C@@H]1CCC[C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000248866297 509518196 /nfs/dbraw/zinc/51/81/96/509518196.db2.gz QDHPXDNABPLHJX-AHRSYUTCSA-N 1 3 354.498 2.556 20 30 FFEDHO COc1ccc(CN2CCC(CNC(=[NH2+])Nc3ccccn3)CC2)cc1 ZINC000170911521 509843032 /nfs/dbraw/zinc/84/30/32/509843032.db2.gz CHRWWXQTNSYVSJ-UHFFFAOYSA-N 1 3 353.470 2.729 20 30 FFEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](CN(C)C)C3)sc2C1 ZINC000265182646 509906884 /nfs/dbraw/zinc/90/68/84/509906884.db2.gz WTMIVNTZHPITGH-HUUCEWRRSA-N 1 3 374.554 2.957 20 30 FFEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](CN(C)C)C3)sc2C1 ZINC000265182646 509906889 /nfs/dbraw/zinc/90/68/89/509906889.db2.gz WTMIVNTZHPITGH-HUUCEWRRSA-N 1 3 374.554 2.957 20 30 FFEDHO COc1cccc(NC(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000190535982 510189482 /nfs/dbraw/zinc/18/94/82/510189482.db2.gz HBAHNACLVVBVKC-FQEVSTJZSA-N 1 3 368.481 2.713 20 30 FFEDHO C#CCOc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000180984270 510222483 /nfs/dbraw/zinc/22/24/83/510222483.db2.gz RDXKALDOZLSEBX-QFIPXVFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C#CCOc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000180984270 510222488 /nfs/dbraw/zinc/22/24/88/510222488.db2.gz RDXKALDOZLSEBX-QFIPXVFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000246274296 510399763 /nfs/dbraw/zinc/39/97/63/510399763.db2.gz JGCHFXKCCZVBDM-GBESFXJTSA-N 1 3 350.551 2.667 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000246274296 510399771 /nfs/dbraw/zinc/39/97/71/510399771.db2.gz JGCHFXKCCZVBDM-GBESFXJTSA-N 1 3 350.551 2.667 20 30 FFEDHO C=CCN1CCC(Nc2cc(NC3CC[NH+](CC=C)CC3)ncn2)CC1 ZINC000178800380 510778677 /nfs/dbraw/zinc/77/86/77/510778677.db2.gz WETVQPXEYSLLGR-UHFFFAOYSA-N 1 3 356.518 2.601 20 30 FFEDHO Cc1cccc(N2CCN(CCCCNC(=[NH2+])N3CCC(C)CC3)CC2)c1 ZINC000303255463 511729994 /nfs/dbraw/zinc/72/99/94/511729994.db2.gz GGQHTMXBGBWYKX-UHFFFAOYSA-N 1 3 371.573 2.944 20 30 FFEDHO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CN3CCN2CC3)cc1 ZINC000305169363 511758780 /nfs/dbraw/zinc/75/87/80/511758780.db2.gz DVDGOPLJHSYJSY-OAQYLSRUSA-N 1 3 363.509 2.553 20 30 FFEDHO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000329713456 512089245 /nfs/dbraw/zinc/08/92/45/512089245.db2.gz RNCSDPQEFCPHEP-QMCVQRASSA-N 1 3 351.470 2.539 20 30 FFEDHO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000329713456 512089251 /nfs/dbraw/zinc/08/92/51/512089251.db2.gz RNCSDPQEFCPHEP-QMCVQRASSA-N 1 3 351.470 2.539 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431948166 514048949 /nfs/dbraw/zinc/04/89/49/514048949.db2.gz DDLQLENCMQJCIE-IEBWSBKVSA-N 1 3 350.551 2.837 20 30 FFEDHO N#CCCC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000424155621 514401967 /nfs/dbraw/zinc/40/19/67/514401967.db2.gz NCISLPNXGCWHSC-SFHVURJKSA-N 1 3 362.905 2.689 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C(C)C ZINC000457738370 516110258 /nfs/dbraw/zinc/11/02/58/516110258.db2.gz GBCZRLLNSVXDBD-PZJWPPBQSA-N 1 3 362.562 2.812 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000457738370 516110263 /nfs/dbraw/zinc/11/02/63/516110263.db2.gz GBCZRLLNSVXDBD-PZJWPPBQSA-N 1 3 362.562 2.812 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000563237771 517761731 /nfs/dbraw/zinc/76/17/31/517761731.db2.gz ORCWFYDKOZYSHR-NRFANRHFSA-N 1 3 356.514 2.601 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000563237771 517761737 /nfs/dbraw/zinc/76/17/37/517761737.db2.gz ORCWFYDKOZYSHR-NRFANRHFSA-N 1 3 356.514 2.601 20 30 FFEDHO C[C@H]1C[C@H](CCNCc2cnc3c(C#N)cnn3c2)C[N@@H+]1Cc1ccccc1 ZINC000576108214 518432530 /nfs/dbraw/zinc/43/25/30/518432530.db2.gz QYWVIGUKMDOPBD-HKUYNNGSSA-N 1 3 374.492 2.991 20 30 FFEDHO C[C@H]1C[C@H](CCNCc2cnc3c(C#N)cnn3c2)C[N@H+]1Cc1ccccc1 ZINC000576108214 518432545 /nfs/dbraw/zinc/43/25/45/518432545.db2.gz QYWVIGUKMDOPBD-HKUYNNGSSA-N 1 3 374.492 2.991 20 30 FFEDHO N#CC(CCc1ccccc1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000597875298 520297500 /nfs/dbraw/zinc/29/75/00/520297500.db2.gz VZGFCWYRICAIJX-FQEVSTJZSA-N 1 3 369.509 2.766 20 30 FFEDHO N#CC(CCc1ccccc1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000597875299 520298254 /nfs/dbraw/zinc/29/82/54/520298254.db2.gz VZGFCWYRICAIJX-HXUWFJFHSA-N 1 3 369.509 2.766 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876974854 732306074 /nfs/dbraw/zinc/30/60/74/732306074.db2.gz VQFAYIVUNWLLGS-QZTJIDSGSA-N 1 3 361.917 2.875 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876974854 732306077 /nfs/dbraw/zinc/30/60/77/732306077.db2.gz VQFAYIVUNWLLGS-QZTJIDSGSA-N 1 3 361.917 2.875 20 30 FFEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877129614 732326615 /nfs/dbraw/zinc/32/66/15/732326615.db2.gz DKTYWNGXPFIRPR-KBPBESRZSA-N 1 3 363.811 2.894 20 30 FFEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000913426588 737404333 /nfs/dbraw/zinc/40/43/33/737404333.db2.gz WEZVTMMPDXCHGQ-INIZCTEOSA-N 1 3 357.420 2.932 20 30 FFEDHO C#CCN1CCC(C(=O)N(C[C@H](C)[NH+](C)C)c2c(C)cccc2C)CC1 ZINC000891566134 964496164 /nfs/dbraw/zinc/49/61/64/964496164.db2.gz BBJJZJYBLFIXJQ-IBGZPJMESA-N 1 3 355.526 2.932 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674496 974902519 /nfs/dbraw/zinc/90/25/19/974902519.db2.gz FGIZMKHGAPOIMV-SESVDKBCSA-N 1 3 355.526 2.879 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cccc(C#N)c2)CC3)CC[N@@H+]1C ZINC000990764340 976970974 /nfs/dbraw/zinc/97/09/74/976970974.db2.gz QNXKAOOPQUCGTQ-DEZRYOJYSA-N 1 3 366.509 2.512 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2cccc(C#N)c2)CC3)CC[N@H+]1C ZINC000990764340 976970984 /nfs/dbraw/zinc/97/09/84/976970984.db2.gz QNXKAOOPQUCGTQ-DEZRYOJYSA-N 1 3 366.509 2.512 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Nc3ccncc3)cc2)CC1 ZINC000664021364 977882585 /nfs/dbraw/zinc/88/25/85/977882585.db2.gz XQKCHQICXBIGOB-UHFFFAOYSA-N 1 3 365.481 2.697 20 30 FFEDHO N#Cc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211915523 980880662 /nfs/dbraw/zinc/88/06/62/980880662.db2.gz JGWLHTOMSCCJDR-IBGZPJMESA-N 1 3 371.444 2.797 20 30 FFEDHO N#Cc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211915523 980880667 /nfs/dbraw/zinc/88/06/67/980880667.db2.gz JGWLHTOMSCCJDR-IBGZPJMESA-N 1 3 371.444 2.797 20 30 FFEDHO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H](OC)C1 ZINC001213213720 981405569 /nfs/dbraw/zinc/40/55/69/981405569.db2.gz QQOVRUJOPIQHNR-AQNXPRMDSA-N 1 3 365.562 2.647 20 30 FFEDHO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H](OC)C1 ZINC001213213720 981405573 /nfs/dbraw/zinc/40/55/73/981405573.db2.gz QQOVRUJOPIQHNR-AQNXPRMDSA-N 1 3 365.562 2.647 20 30 FFEDHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2)N(C)C ZINC001107450064 984551860 /nfs/dbraw/zinc/55/18/60/984551860.db2.gz ATWWTJMMKYZTFW-KCZVDYSFSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2)N(C)C ZINC001107450064 984551865 /nfs/dbraw/zinc/55/18/65/984551865.db2.gz ATWWTJMMKYZTFW-KCZVDYSFSA-N 1 3 368.525 2.759 20 30 FFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549597 984667492 /nfs/dbraw/zinc/66/74/92/984667492.db2.gz BNDOYHDHGXHJPP-DUXKGJEZSA-N 1 3 363.521 2.583 20 30 FFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549597 984667495 /nfs/dbraw/zinc/66/74/95/984667495.db2.gz BNDOYHDHGXHJPP-DUXKGJEZSA-N 1 3 363.521 2.583 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079154753 991856875 /nfs/dbraw/zinc/85/68/75/991856875.db2.gz UMWSSEXXNUUWFN-PCCBWWKXSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079154753 991856883 /nfs/dbraw/zinc/85/68/83/991856883.db2.gz UMWSSEXXNUUWFN-PCCBWWKXSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013406 1002284460 /nfs/dbraw/zinc/28/44/60/1002284460.db2.gz PVIXBTWPFHCSTD-LSTHTHJFSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013406 1002284469 /nfs/dbraw/zinc/28/44/69/1002284469.db2.gz PVIXBTWPFHCSTD-LSTHTHJFSA-N 1 3 351.510 2.555 20 30 FFEDHO C#CCN(C)CCCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001201927863 1005283383 /nfs/dbraw/zinc/28/33/83/1005283383.db2.gz RFTKZFSTLKOGBM-UHFFFAOYSA-N 1 3 372.513 2.628 20 30 FFEDHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086712263 1005967916 /nfs/dbraw/zinc/96/79/16/1005967916.db2.gz XTJZKFRNVOCCNS-PWRODBHTSA-N 1 3 368.525 2.807 20 30 FFEDHO CCCN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000852860615 1006212277 /nfs/dbraw/zinc/21/22/77/1006212277.db2.gz SXGDUNRTXJIOTB-JOCHJYFZSA-N 1 3 367.537 2.893 20 30 FFEDHO CC[N@@H+]1CCCC[C@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001181999965 1010338734 /nfs/dbraw/zinc/33/87/34/1010338734.db2.gz CIMBFANHBVDJFZ-IBGZPJMESA-N 1 3 354.498 2.535 20 30 FFEDHO CC[N@H+]1CCCC[C@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001181999965 1010338744 /nfs/dbraw/zinc/33/87/44/1010338744.db2.gz CIMBFANHBVDJFZ-IBGZPJMESA-N 1 3 354.498 2.535 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001094241451 1010985290 /nfs/dbraw/zinc/98/52/90/1010985290.db2.gz FAHAKXGLMCISLD-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172981914 1012152768 /nfs/dbraw/zinc/15/27/68/1012152768.db2.gz PSWSAIXCFHOBNK-TXTZMMAHSA-N 1 3 362.518 2.883 20 30 FFEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172981914 1012152778 /nfs/dbraw/zinc/15/27/78/1012152778.db2.gz PSWSAIXCFHOBNK-TXTZMMAHSA-N 1 3 362.518 2.883 20 30 FFEDHO COc1ccc(CNC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@H](C)C2)cc1OC ZINC000303897889 1012507386 /nfs/dbraw/zinc/50/73/86/1012507386.db2.gz VGURCPUIWLDTJE-MGPUTAFESA-N 1 3 362.518 2.619 20 30 FFEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111268782 1022863979 /nfs/dbraw/zinc/86/39/79/1022863979.db2.gz AVOSHHJJDKCBQM-AQNXPRMDSA-N 1 3 365.562 2.813 20 30 FFEDHO N#Cc1c(NC(=O)[C@@H]2C[C@H](c3ccccc3)CC[NH2+]2)sc2c1CCNC2 ZINC001218551931 1033216389 /nfs/dbraw/zinc/21/63/89/1033216389.db2.gz DAYDGOBGYRADNW-PBHICJAKSA-N 1 3 366.490 2.740 20 30 FFEDHO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090459 1026953091 /nfs/dbraw/zinc/95/30/91/1026953091.db2.gz VNUQJBKFDWPMLU-TZIWHRDSSA-N 1 3 367.537 2.597 20 30 FFEDHO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090459 1026953095 /nfs/dbraw/zinc/95/30/95/1026953095.db2.gz VNUQJBKFDWPMLU-TZIWHRDSSA-N 1 3 367.537 2.597 20 30 FFEDHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)N(C)C ZINC001103111869 1026971932 /nfs/dbraw/zinc/97/19/32/1026971932.db2.gz RXJQRIJNJIKLGT-FCEUIQTBSA-N 1 3 369.553 2.699 20 30 FFEDHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)N(C)C ZINC001103111869 1026971940 /nfs/dbraw/zinc/97/19/40/1026971940.db2.gz RXJQRIJNJIKLGT-FCEUIQTBSA-N 1 3 369.553 2.699 20 30 FFEDHO C(#CC1CCN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC1)c1ccccc1 ZINC001236302975 1038032598 /nfs/dbraw/zinc/03/25/98/1038032598.db2.gz JBOBVQWXWPQLGR-UHFFFAOYSA-N 1 3 360.505 2.755 20 30 FFEDHO N=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC001252948365 1039849173 /nfs/dbraw/zinc/84/91/73/1039849173.db2.gz MEZTXLHFPRSAQF-QFIPXVFZSA-N 1 3 360.461 2.577 20 30 FFEDHO N=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC001252948365 1039849202 /nfs/dbraw/zinc/84/92/02/1039849202.db2.gz MEZTXLHFPRSAQF-QFIPXVFZSA-N 1 3 360.461 2.577 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322136 1040448257 /nfs/dbraw/zinc/44/82/57/1040448257.db2.gz BWRPJCTXJVTMCK-XUVXKRRUSA-N 1 3 367.578 2.894 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322136 1040448273 /nfs/dbraw/zinc/44/82/73/1040448273.db2.gz BWRPJCTXJVTMCK-XUVXKRRUSA-N 1 3 367.578 2.894 20 30 FFEDHO Cn1cc(CN2CCCC3(CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1C#N ZINC001279467529 1043148552 /nfs/dbraw/zinc/14/85/52/1043148552.db2.gz NRIFRVKIUBIOHV-HXUWFJFHSA-N 1 3 356.514 2.754 20 30 FFEDHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240338221 1044318242 /nfs/dbraw/zinc/31/82/42/1044318242.db2.gz PDMQSINONRLOLB-UHFFFAOYSA-N 1 3 363.465 2.750 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342354694 1050949157 /nfs/dbraw/zinc/94/91/57/1050949157.db2.gz JROKXAARGVNUHL-SFHVURJKSA-N 1 3 374.577 2.974 20 30 FFEDHO C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001574921857 1078093026 /nfs/dbraw/zinc/09/30/26/1078093026.db2.gz LONDINNBKYGJFN-SQNIBIBYSA-N 1 3 360.550 2.978 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC001583966276 1079289968 /nfs/dbraw/zinc/28/99/68/1079289968.db2.gz JGUBUMZOXRDRMV-FQEVSTJZSA-N 1 3 356.514 2.569 20 30 FFEDHO CC(C)[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC001583966276 1079289977 /nfs/dbraw/zinc/28/99/77/1079289977.db2.gz JGUBUMZOXRDRMV-FQEVSTJZSA-N 1 3 356.514 2.569 20 30 FFEDHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001571311943 1077246327 /nfs/dbraw/zinc/24/63/27/1077246327.db2.gz QZQHZCTUAVKRTL-UHOSZYNNSA-N 1 3 363.933 2.959 20 30 FFEDHO C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001571311943 1077246330 /nfs/dbraw/zinc/24/63/30/1077246330.db2.gz QZQHZCTUAVKRTL-UHOSZYNNSA-N 1 3 363.933 2.959 20 30 FFEDHO N#Cc1ccc(NCC[NH+]2CCCCC2)nc1NCCN1CCCCC1 ZINC000302867037 258112742 /nfs/dbraw/zinc/11/27/42/258112742.db2.gz ZCOSFNMTTKSNOA-UHFFFAOYSA-N 1 3 356.518 2.749 20 30 FFEDHO CN(CCC#N)c1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000076763041 508251984 /nfs/dbraw/zinc/25/19/84/508251984.db2.gz PTKDQDGPTZZBSO-LJQANCHMSA-N 1 3 356.514 2.627 20 30 FFEDHO C#CCN1CCC(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116065489 508468310 /nfs/dbraw/zinc/46/83/10/508468310.db2.gz JMYQLLOOXLDDHZ-SFHVURJKSA-N 1 3 353.510 2.673 20 30 FFEDHO CN(CCC#N)c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136567557 508701510 /nfs/dbraw/zinc/70/15/10/508701510.db2.gz PFZJUMHVSCISFJ-YADHBBJMSA-N 1 3 370.541 2.894 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000171711278 510324678 /nfs/dbraw/zinc/32/46/78/510324678.db2.gz PMGAAIKUDPYNKM-OAQYLSRUSA-N 1 3 372.557 2.889 20 30 FFEDHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000181975534 510686133 /nfs/dbraw/zinc/68/61/33/510686133.db2.gz PFKGNPNTUVBTNS-MRXNPFEDSA-N 1 3 350.466 2.700 20 30 FFEDHO C=CCN1CCC(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000521595443 517788837 /nfs/dbraw/zinc/78/88/37/517788837.db2.gz KEWXFKILSXGRDL-ROUUACIJSA-N 1 3 350.551 2.694 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317413 519096992 /nfs/dbraw/zinc/09/69/92/519096992.db2.gz VOPDPCHDMVUUTI-CIAFKFPVSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317413 519096996 /nfs/dbraw/zinc/09/69/96/519096996.db2.gz VOPDPCHDMVUUTI-CIAFKFPVSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000574317413 519097000 /nfs/dbraw/zinc/09/70/00/519097000.db2.gz VOPDPCHDMVUUTI-CIAFKFPVSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000574317413 519097004 /nfs/dbraw/zinc/09/70/04/519097004.db2.gz VOPDPCHDMVUUTI-CIAFKFPVSA-N 1 3 360.542 2.772 20 30 FFEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522908 519197921 /nfs/dbraw/zinc/19/79/21/519197921.db2.gz GNOBCIOSBKHPHR-KRWDZBQOSA-N 1 3 362.543 2.572 20 30 FFEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522908 519197924 /nfs/dbraw/zinc/19/79/24/519197924.db2.gz GNOBCIOSBKHPHR-KRWDZBQOSA-N 1 3 362.543 2.572 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4cccc(C#N)c4C3)CC2)CC1 ZINC000594372606 519922966 /nfs/dbraw/zinc/92/29/66/519922966.db2.gz LFBBEOBCBZCVAJ-UHFFFAOYSA-N 1 3 366.509 2.597 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000594437643 519964846 /nfs/dbraw/zinc/96/48/46/519964846.db2.gz KIIOLCKLCQCJLB-IFMALSPDSA-N 1 3 368.525 2.912 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000594437643 519964853 /nfs/dbraw/zinc/96/48/53/519964853.db2.gz KIIOLCKLCQCJLB-IFMALSPDSA-N 1 3 368.525 2.912 20 30 FFEDHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)C1 ZINC000594440640 519967818 /nfs/dbraw/zinc/96/78/18/519967818.db2.gz HGTPBUCSWOGKMT-FXAWDEMLSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)C1 ZINC000594440640 519967826 /nfs/dbraw/zinc/96/78/26/519967826.db2.gz HGTPBUCSWOGKMT-FXAWDEMLSA-N 1 3 356.514 2.946 20 30 FFEDHO COc1ccc(CN2CCC(C[NH2+]Cc3cccc(C#N)n3)CC2)cc1 ZINC000602529993 521397326 /nfs/dbraw/zinc/39/73/26/521397326.db2.gz DJCJSGZWEULYNI-UHFFFAOYSA-N 1 3 350.466 2.964 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000602563808 521413863 /nfs/dbraw/zinc/41/38/63/521413863.db2.gz OJIZTZGVKJYKKK-SFHVURJKSA-N 1 3 371.525 2.832 20 30 FFEDHO N#CC1CCC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000602593095 521428901 /nfs/dbraw/zinc/42/89/01/521428901.db2.gz IKQKSOXYPFBEMM-UHFFFAOYSA-N 1 3 354.498 2.684 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000602596959 521431211 /nfs/dbraw/zinc/43/12/11/521431211.db2.gz OMQBSCRJCMFZLK-RXVVDRJESA-N 1 3 371.525 2.832 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000602596959 521431216 /nfs/dbraw/zinc/43/12/16/521431216.db2.gz OMQBSCRJCMFZLK-RXVVDRJESA-N 1 3 371.525 2.832 20 30 FFEDHO C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000597021796 521452618 /nfs/dbraw/zinc/45/26/18/521452618.db2.gz SCMJPOAPMOGJSD-GHTZIAJQSA-N 1 3 352.526 2.700 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000129777571 728713175 /nfs/dbraw/zinc/71/31/75/728713175.db2.gz PVZFAELCWYGGOR-PKOBYXMFSA-N 1 3 359.539 2.592 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000129777571 728713176 /nfs/dbraw/zinc/71/31/76/728713176.db2.gz PVZFAELCWYGGOR-PKOBYXMFSA-N 1 3 359.539 2.592 20 30 FFEDHO CC[NH+]1CCC(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000740874526 735094319 /nfs/dbraw/zinc/09/43/19/735094319.db2.gz MSERYUPYSUTXOZ-HNNXBMFYSA-N 1 3 356.495 2.889 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000741249208 735127790 /nfs/dbraw/zinc/12/77/90/735127790.db2.gz FCZBWGHZKXRDAL-CABCVRRESA-N 1 3 356.495 2.746 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741249208 735127792 /nfs/dbraw/zinc/12/77/92/735127792.db2.gz FCZBWGHZKXRDAL-CABCVRRESA-N 1 3 356.495 2.746 20 30 FFEDHO CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000832778106 745753844 /nfs/dbraw/zinc/75/38/44/745753844.db2.gz IBIIRHJKMVRPLK-HUUCEWRRSA-N 1 3 356.495 2.887 20 30 FFEDHO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000832778106 745753848 /nfs/dbraw/zinc/75/38/48/745753848.db2.gz IBIIRHJKMVRPLK-HUUCEWRRSA-N 1 3 356.495 2.887 20 30 FFEDHO CC(C)C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001271260739 972411537 /nfs/dbraw/zinc/41/15/37/972411537.db2.gz ANXYNBTZUXYVSE-IIDMSEBBSA-N 1 3 362.543 2.580 20 30 FFEDHO CC(C)C[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001271260739 972411540 /nfs/dbraw/zinc/41/15/40/972411540.db2.gz ANXYNBTZUXYVSE-IIDMSEBBSA-N 1 3 362.543 2.580 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104287333 961815964 /nfs/dbraw/zinc/81/59/64/961815964.db2.gz CRTYDDSMBHSSRR-NXHRZFHOSA-N 1 3 355.954 2.791 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104287333 961815985 /nfs/dbraw/zinc/81/59/85/961815985.db2.gz CRTYDDSMBHSSRR-NXHRZFHOSA-N 1 3 355.954 2.791 20 30 FFEDHO CC[NH+]=C(NCC1(N(C)C)CCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261956152 964996472 /nfs/dbraw/zinc/99/64/72/964996472.db2.gz IUKADZQGRMZLHF-ZWKOTPCHSA-N 1 3 360.550 2.606 20 30 FFEDHO C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC001111949306 969407759 /nfs/dbraw/zinc/40/77/59/969407759.db2.gz YANRIGWPNBBQCO-UNMCSNQZSA-N 1 3 368.525 2.761 20 30 FFEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]CC)CC1 ZINC000261620357 977370685 /nfs/dbraw/zinc/37/06/85/977370685.db2.gz HQFBBFIDYJSSCT-OTWHNJEPSA-N 1 3 360.546 2.540 20 30 FFEDHO CO[C@H]1C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C12CCC2 ZINC000263152089 980512008 /nfs/dbraw/zinc/51/20/08/980512008.db2.gz POWBFONKGLODSW-MOPGFXCFSA-N 1 3 356.514 2.513 20 30 FFEDHO COCCN(Cc1ccc(C#N)cc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000879125294 1015374322 /nfs/dbraw/zinc/37/43/22/1015374322.db2.gz XDUBUPOFBFIFRI-UHFFFAOYSA-N 1 3 367.440 2.950 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001106673199 988624119 /nfs/dbraw/zinc/62/41/19/988624119.db2.gz RCUKMPRIAWCWQN-YLJYHZDGSA-N 1 3 370.541 2.720 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccccc1F ZINC001079298873 991986466 /nfs/dbraw/zinc/98/64/66/991986466.db2.gz KYHYRWUGVYYGSD-SXLOBPIMSA-N 1 3 361.505 2.872 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3cccc(C#N)c3)CC2(C)C)CC[N@@H+]1C ZINC000940757129 992147439 /nfs/dbraw/zinc/14/74/39/992147439.db2.gz SKQYMFZZRAYZIT-AHRSYUTCSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3cccc(C#N)c3)CC2(C)C)CC[N@H+]1C ZINC000940757129 992147446 /nfs/dbraw/zinc/14/74/46/992147446.db2.gz SKQYMFZZRAYZIT-AHRSYUTCSA-N 1 3 368.525 2.615 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)CC1 ZINC001085432912 999518111 /nfs/dbraw/zinc/51/81/11/999518111.db2.gz WAJXBCVFWJYHDD-NHCUHLMSSA-N 1 3 357.542 2.849 20 30 FFEDHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1 ZINC001112548515 1001458350 /nfs/dbraw/zinc/45/83/50/1001458350.db2.gz DKJGEXRZCCEQHH-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013407 1002285587 /nfs/dbraw/zinc/28/55/87/1002285587.db2.gz PVIXBTWPFHCSTD-UXPWSPDFSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013407 1002285595 /nfs/dbraw/zinc/28/55/95/1002285595.db2.gz PVIXBTWPFHCSTD-UXPWSPDFSA-N 1 3 351.510 2.555 20 30 FFEDHO C=C(C)C[NH+]1CCC(NCc2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000106245329 1005281221 /nfs/dbraw/zinc/28/12/21/1005281221.db2.gz BHVBNBOENDTVQD-UHFFFAOYSA-N 1 3 360.498 2.985 20 30 FFEDHO COc1ccnc(N(C(=O)C(C#N)Cc2cccs2)C2CC[NH2+]CC2)c1 ZINC001177910968 1008783516 /nfs/dbraw/zinc/78/35/16/1008783516.db2.gz BWYLJGDPZWSDBQ-CQSZACIVSA-N 1 3 370.478 2.619 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000304760072 1012863291 /nfs/dbraw/zinc/86/32/91/1012863291.db2.gz RWGJQKXWOIRGGI-AEFFLSMTSA-N 1 3 361.534 2.784 20 30 FFEDHO CN(C)Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1C(F)(F)F ZINC001119328051 1022690670 /nfs/dbraw/zinc/69/06/70/1022690670.db2.gz SASCHCMAVUTZKF-UHFFFAOYSA-N 1 3 353.388 2.709 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000948386247 1023247504 /nfs/dbraw/zinc/24/75/04/1023247504.db2.gz USVTZSBEPQGUFW-JRGCBEDISA-N 1 3 368.525 2.711 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000948386247 1023247508 /nfs/dbraw/zinc/24/75/08/1023247508.db2.gz USVTZSBEPQGUFW-JRGCBEDISA-N 1 3 368.525 2.711 20 30 FFEDHO N#Cc1c(NC(=O)[C@@H]2CC[C@H](c3ccccc3)[NH2+]C2)sc2c1CCNC2 ZINC001218553889 1033219811 /nfs/dbraw/zinc/21/98/11/1033219811.db2.gz SWYAITQOPWWBLF-RHSMWYFYSA-N 1 3 366.490 2.945 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001103751721 1028138688 /nfs/dbraw/zinc/13/86/88/1028138688.db2.gz NIGNUQCPGLGCGI-DENIHFKCSA-N 1 3 371.569 2.906 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001103751721 1028138699 /nfs/dbraw/zinc/13/86/99/1028138699.db2.gz NIGNUQCPGLGCGI-DENIHFKCSA-N 1 3 371.569 2.906 20 30 FFEDHO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205312853 1031664478 /nfs/dbraw/zinc/66/44/78/1031664478.db2.gz GKRKUBHBBWXLFB-DZFGPLHGSA-N 1 3 371.500 2.607 20 30 FFEDHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(C#N)cc3Cl)CC2)C1=O ZINC001277030363 1034188897 /nfs/dbraw/zinc/18/88/97/1034188897.db2.gz BOHXSUHZQDTBGD-UHFFFAOYSA-N 1 3 374.916 2.588 20 30 FFEDHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001229860584 1036943690 /nfs/dbraw/zinc/94/36/90/1036943690.db2.gz XHNWZZKJXGAZIO-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO [NH2+]=C(NC1CCC(N2CCOCC2)CC1)c1ccc2cc(O)ccc2c1 ZINC001256683952 1038601472 /nfs/dbraw/zinc/60/14/72/1038601472.db2.gz IZALWKNIMVXLJK-UHFFFAOYSA-N 1 3 353.466 2.894 20 30 FFEDHO Cn1cc(CN2CCCC3(CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1C#N ZINC001279467528 1043148578 /nfs/dbraw/zinc/14/85/78/1043148578.db2.gz NRIFRVKIUBIOHV-FQEVSTJZSA-N 1 3 356.514 2.754 20 30 FFEDHO Cn1cc(CN2CCC3(C2)CC[NH+](C[C@@H]2CCCCO2)CC3)cc1C#N ZINC001279475136 1043158297 /nfs/dbraw/zinc/15/82/97/1043158297.db2.gz WRUNWIOCJLZLIO-FQEVSTJZSA-N 1 3 356.514 2.754 20 30 FFEDHO Cn1cc(CN2CCCC3(CC[NH+](CC(C)(C)CO)CC3)C2)cc1C#N ZINC001280187949 1044373467 /nfs/dbraw/zinc/37/34/67/1044373467.db2.gz OUOCISQNCGFDFZ-UHFFFAOYSA-N 1 3 358.530 2.593 20 30 FFEDHO CCc1cc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)ccc1C#N ZINC001280217640 1044412189 /nfs/dbraw/zinc/41/21/89/1044412189.db2.gz PPUQWYCGCVXFDH-QFIPXVFZSA-N 1 3 354.542 2.970 20 30 FFEDHO CCc1cc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)ccc1C#N ZINC001280217640 1044412194 /nfs/dbraw/zinc/41/21/94/1044412194.db2.gz PPUQWYCGCVXFDH-QFIPXVFZSA-N 1 3 354.542 2.970 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001321742377 1045781286 /nfs/dbraw/zinc/78/12/86/1045781286.db2.gz DTMMSUSHJFXKRF-VQTJNVASSA-N 1 3 371.529 2.504 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001291641594 1048777132 /nfs/dbraw/zinc/77/71/32/1048777132.db2.gz PMWDQOJZUZICIA-UXHICEINSA-N 1 3 356.514 2.569 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001351860535 1055035197 /nfs/dbraw/zinc/03/51/97/1055035197.db2.gz JJEHDDLJMJHQSA-GOSISDBHSA-N 1 3 372.561 2.728 20 30 FFEDHO C=CCCC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001357403777 1055893635 /nfs/dbraw/zinc/89/36/35/1055893635.db2.gz GCUJKJPRKTXNSL-PKOBYXMFSA-N 1 3 359.514 2.686 20 30 FFEDHO CC(C)N(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC001575680915 1078163178 /nfs/dbraw/zinc/16/31/78/1078163178.db2.gz DEMWVVADKDKMQK-VQTJNVASSA-N 1 3 356.514 2.909 20 30 FFEDHO C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CCN(CCC)CC2)cc1OCC ZINC001567687278 1077045108 /nfs/dbraw/zinc/04/51/08/1077045108.db2.gz YFXVQKIWZUYXJG-UHFFFAOYSA-N 1 3 374.529 2.674 20 30 FFEDHO C=CCS(=O)(=O)CC[NH2+]C1CCC(N(C)Cc2ccccc2)CC1 ZINC000367073949 512324964 /nfs/dbraw/zinc/32/49/64/512324964.db2.gz NCLUNBIVCWQQOY-UHFFFAOYSA-N 1 3 350.528 2.620 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000106335225 508399451 /nfs/dbraw/zinc/39/94/51/508399451.db2.gz XYLVZYQDPOSMKH-KZNAEPCWSA-N 1 3 350.551 2.693 20 30 FFEDHO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158285918 508682746 /nfs/dbraw/zinc/68/27/46/508682746.db2.gz YGMWVINFXQHWBY-MNOVXSKESA-N 1 3 363.453 2.556 20 30 FFEDHO C#CCN1CCC(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000150913244 508921017 /nfs/dbraw/zinc/92/10/17/508921017.db2.gz PPMSXSDUYHUKBF-RTBURBONSA-N 1 3 367.537 2.604 20 30 FFEDHO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000264066358 509313838 /nfs/dbraw/zinc/31/38/38/509313838.db2.gz BJCSNBVOMPZLOE-MAUKXSAKSA-N 1 3 359.518 2.560 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000171711276 510324150 /nfs/dbraw/zinc/32/41/50/510324150.db2.gz PMGAAIKUDPYNKM-NRFANRHFSA-N 1 3 372.557 2.889 20 30 FFEDHO C=CCN(CC=C)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184754761 510501397 /nfs/dbraw/zinc/50/13/97/510501397.db2.gz BHJKOFNZNCKKRH-RTBURBONSA-N 1 3 355.526 2.933 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(C)C ZINC000246877434 510723621 /nfs/dbraw/zinc/72/36/21/510723621.db2.gz LQVNYKREKNNFFW-XUVXKRRUSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(C)C ZINC000246877434 510723629 /nfs/dbraw/zinc/72/36/29/510723629.db2.gz LQVNYKREKNNFFW-XUVXKRRUSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287725524 511055445 /nfs/dbraw/zinc/05/54/45/511055445.db2.gz NUVQWZCRNXSEOH-XLIONFOSSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287725524 511055448 /nfs/dbraw/zinc/05/54/48/511055448.db2.gz NUVQWZCRNXSEOH-XLIONFOSSA-N 1 3 356.514 2.599 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000292266804 511529661 /nfs/dbraw/zinc/52/96/61/511529661.db2.gz PYIQYHUEOGWVHL-OAQYLSRUSA-N 1 3 367.537 2.750 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000292266804 511529668 /nfs/dbraw/zinc/52/96/68/511529668.db2.gz PYIQYHUEOGWVHL-OAQYLSRUSA-N 1 3 367.537 2.750 20 30 FFEDHO C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292428084 511593469 /nfs/dbraw/zinc/59/34/69/511593469.db2.gz QLURTIANZOSABF-VQIMIIECSA-N 1 3 350.466 2.573 20 30 FFEDHO C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000292428084 511593471 /nfs/dbraw/zinc/59/34/71/511593471.db2.gz QLURTIANZOSABF-VQIMIIECSA-N 1 3 350.466 2.573 20 30 FFEDHO C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292428081 511593483 /nfs/dbraw/zinc/59/34/83/511593483.db2.gz QLURTIANZOSABF-APWZRJJASA-N 1 3 350.466 2.573 20 30 FFEDHO C[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000292428081 511593487 /nfs/dbraw/zinc/59/34/87/511593487.db2.gz QLURTIANZOSABF-APWZRJJASA-N 1 3 350.466 2.573 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000281507009 511871810 /nfs/dbraw/zinc/87/18/10/511871810.db2.gz ILBULYSADPOHOI-SBHAEUEKSA-N 1 3 362.477 2.716 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000281507009 511871816 /nfs/dbraw/zinc/87/18/16/511871816.db2.gz ILBULYSADPOHOI-SBHAEUEKSA-N 1 3 362.477 2.716 20 30 FFEDHO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414347428 514059276 /nfs/dbraw/zinc/05/92/76/514059276.db2.gz WHCQUYNANCGVKE-QUCCMNQESA-N 1 3 354.498 2.556 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(C)C ZINC000417070752 514152765 /nfs/dbraw/zinc/15/27/65/514152765.db2.gz VSLKBASVJZTCOZ-SLFFLAALSA-N 1 3 362.562 2.716 20 30 FFEDHO N#CCCC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000433016444 514352524 /nfs/dbraw/zinc/35/25/24/514352524.db2.gz QUCCSZHYIOMTKC-HXUWFJFHSA-N 1 3 354.498 2.754 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424138235 514396419 /nfs/dbraw/zinc/39/64/19/514396419.db2.gz TZVTUIUXQBHVCQ-QKLQHJQFSA-N 1 3 356.514 2.802 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424138235 514396424 /nfs/dbraw/zinc/39/64/24/514396424.db2.gz TZVTUIUXQBHVCQ-QKLQHJQFSA-N 1 3 356.514 2.802 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C#N)ccc3OC)CC2)CC1 ZINC000420984105 514420352 /nfs/dbraw/zinc/42/03/52/514420352.db2.gz SGXOJXGCYOPZTI-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(Cc3cc(C#N)ccc3OC)CC2)CC1 ZINC000420984105 514420356 /nfs/dbraw/zinc/42/03/56/514420356.db2.gz SGXOJXGCYOPZTI-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO CC[NH+]1CCC(N2CCCN(Cc3cc(C#N)ccc3OC)CC2)CC1 ZINC000420984105 514420364 /nfs/dbraw/zinc/42/03/64/514420364.db2.gz SGXOJXGCYOPZTI-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000528778770 516689506 /nfs/dbraw/zinc/68/95/06/516689506.db2.gz NFMORFCHRILRIM-UHFFFAOYSA-N 1 3 370.541 2.570 20 30 FFEDHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564427844 518448324 /nfs/dbraw/zinc/44/83/24/518448324.db2.gz NTEGQTXJQLAQJC-NRFANRHFSA-N 1 3 362.477 2.627 20 30 FFEDHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000577485052 519104648 /nfs/dbraw/zinc/10/46/48/519104648.db2.gz OXTAJFQRSKTOHL-HXUWFJFHSA-N 1 3 353.466 2.539 20 30 FFEDHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000577485052 519104652 /nfs/dbraw/zinc/10/46/52/519104652.db2.gz OXTAJFQRSKTOHL-HXUWFJFHSA-N 1 3 353.466 2.539 20 30 FFEDHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594440736 519966279 /nfs/dbraw/zinc/96/62/79/519966279.db2.gz ILZJPTAWPGMUGE-HNNXBMFYSA-N 1 3 352.866 2.630 20 30 FFEDHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000594443779 519969275 /nfs/dbraw/zinc/96/92/75/519969275.db2.gz UPPZZPKQXRUGMM-YZGWKJHDSA-N 1 3 356.514 2.815 20 30 FFEDHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594443779 519969281 /nfs/dbraw/zinc/96/92/81/519969281.db2.gz UPPZZPKQXRUGMM-YZGWKJHDSA-N 1 3 356.514 2.815 20 30 FFEDHO CN(CCCC[NH+]1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000603406551 520251082 /nfs/dbraw/zinc/25/10/82/520251082.db2.gz KEXQWPKFMVQMDX-FQEVSTJZSA-N 1 3 352.482 2.965 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602594546 521430020 /nfs/dbraw/zinc/43/00/20/521430020.db2.gz YTPBLKAQZPZVPD-UXHICEINSA-N 1 3 356.514 2.959 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602594546 521430025 /nfs/dbraw/zinc/43/00/25/521430025.db2.gz YTPBLKAQZPZVPD-UXHICEINSA-N 1 3 356.514 2.959 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1C(F)(F)F ZINC000303990064 729736315 /nfs/dbraw/zinc/73/63/15/729736315.db2.gz YCWVWHQNSUHDAC-CYBMUJFWSA-N 1 3 358.408 2.603 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000876758737 732277462 /nfs/dbraw/zinc/27/74/62/732277462.db2.gz MEKDIBCBLKTZMT-QUCCMNQESA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876758737 732277464 /nfs/dbraw/zinc/27/74/64/732277464.db2.gz MEKDIBCBLKTZMT-QUCCMNQESA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877129615 732326857 /nfs/dbraw/zinc/32/68/57/732326857.db2.gz DKTYWNGXPFIRPR-KGLIPLIRSA-N 1 3 363.811 2.894 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)NCCC#C[Si](C)(C)C)CC2)CC1 ZINC000912328495 737291626 /nfs/dbraw/zinc/29/16/26/737291626.db2.gz ITMCFZSZJHJGCW-UHFFFAOYSA-N 1 3 363.622 2.570 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000960642320 1013436207 /nfs/dbraw/zinc/43/62/07/1013436207.db2.gz IDBYLCJMBOWCNO-QHAWAJNXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000960642320 1013436219 /nfs/dbraw/zinc/43/62/19/1013436219.db2.gz IDBYLCJMBOWCNO-QHAWAJNXSA-N 1 3 368.525 2.711 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104449877 967308693 /nfs/dbraw/zinc/30/86/93/967308693.db2.gz LDJPYSCWQJPISN-OLMNPRSZSA-N 1 3 353.938 2.688 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001023371932 967753666 /nfs/dbraw/zinc/75/36/66/967753666.db2.gz ITQWJZVAINZFIE-QHAWAJNXSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001023371932 967753673 /nfs/dbraw/zinc/75/36/73/967753673.db2.gz ITQWJZVAINZFIE-QHAWAJNXSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCN[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001267370766 968077760 /nfs/dbraw/zinc/07/77/60/968077760.db2.gz UFRWPHJTZHKBSN-FSSWDIPSSA-N 1 3 363.505 2.965 20 30 FFEDHO C=CCN[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001267370766 968077769 /nfs/dbraw/zinc/07/77/69/968077769.db2.gz UFRWPHJTZHKBSN-FSSWDIPSSA-N 1 3 363.505 2.965 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC001087443834 977593864 /nfs/dbraw/zinc/59/38/64/977593864.db2.gz IXCHBYBCAOLEEM-FGZHOGPDSA-N 1 3 367.537 2.714 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC001087443834 977593873 /nfs/dbraw/zinc/59/38/73/977593873.db2.gz IXCHBYBCAOLEEM-FGZHOGPDSA-N 1 3 367.537 2.714 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC2(CNCC#Cc3ccc(F)cc3)CCCC2)CC[N@@H+]1C ZINC001481897063 977741683 /nfs/dbraw/zinc/74/16/83/977741683.db2.gz MONWTPJFLFVSCR-YLJYHZDGSA-N 1 3 371.500 2.536 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC2(CNCC#Cc3ccc(F)cc3)CCCC2)CC[N@H+]1C ZINC001481897063 977741690 /nfs/dbraw/zinc/74/16/90/977741690.db2.gz MONWTPJFLFVSCR-YLJYHZDGSA-N 1 3 371.500 2.536 20 30 FFEDHO c1coc(CCNC(=[NH+]C2CCOCC2)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000262655092 979501125 /nfs/dbraw/zinc/50/11/25/979501125.db2.gz KMRBXEQDEVAWEA-LJQANCHMSA-N 1 3 374.529 2.507 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC4(CC4)CC3)[C@@H]2C)CC1 ZINC001089059408 986140020 /nfs/dbraw/zinc/14/00/20/986140020.db2.gz KZBIFKKXOYZUMC-NQIIRXRSSA-N 1 3 371.569 2.881 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC4(CC4)CC3)[C@@H]2C)CC1 ZINC001089059408 986140022 /nfs/dbraw/zinc/14/00/22/986140022.db2.gz KZBIFKKXOYZUMC-NQIIRXRSSA-N 1 3 371.569 2.881 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1c1ccc(F)cc1 ZINC001079159101 991862466 /nfs/dbraw/zinc/86/24/66/991862466.db2.gz KEGAADHGSFNMEX-RBUKOAKNSA-N 1 3 356.445 2.642 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1cccc(F)c1 ZINC001079204845 991881226 /nfs/dbraw/zinc/88/12/26/991881226.db2.gz PAKZBRPLAKSIKE-VQTJNVASSA-N 1 3 359.489 2.628 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1ccccc1F ZINC001079309658 992010865 /nfs/dbraw/zinc/01/08/65/992010865.db2.gz KYHYRWUGVYYGSD-DFQSSKMNSA-N 1 3 361.505 2.872 20 30 FFEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001133398069 995489438 /nfs/dbraw/zinc/48/94/38/995489438.db2.gz BPLDCJGLUVCCAK-RBUKOAKNSA-N 1 3 361.917 2.622 20 30 FFEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001133398069 995489445 /nfs/dbraw/zinc/48/94/45/995489445.db2.gz BPLDCJGLUVCCAK-RBUKOAKNSA-N 1 3 361.917 2.622 20 30 FFEDHO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812993974 995593682 /nfs/dbraw/zinc/59/36/82/995593682.db2.gz DALIKEWTIPFVPS-OAQYLSRUSA-N 1 3 374.504 2.661 20 30 FFEDHO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(C#N)cn1)CC2 ZINC001144157361 998070569 /nfs/dbraw/zinc/07/05/69/998070569.db2.gz FHWHEHHJBRMDOD-LJQANCHMSA-N 1 3 366.465 2.802 20 30 FFEDHO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(C#N)cn1)CC2 ZINC001144157361 998070581 /nfs/dbraw/zinc/07/05/81/998070581.db2.gz FHWHEHHJBRMDOD-LJQANCHMSA-N 1 3 366.465 2.802 20 30 FFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001109720131 1000907474 /nfs/dbraw/zinc/90/74/74/1000907474.db2.gz VLTXUFYYIJHRGD-YLAKUSLOSA-N 1 3 351.510 2.887 20 30 FFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001109720131 1000907481 /nfs/dbraw/zinc/90/74/81/1000907481.db2.gz VLTXUFYYIJHRGD-YLAKUSLOSA-N 1 3 351.510 2.887 20 30 FFEDHO N#CC(Cc1cccs1)C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001177918277 1008788476 /nfs/dbraw/zinc/78/84/76/1008788476.db2.gz UFGPUXFWEZYSOR-KKUMJFAQSA-N 1 3 355.467 2.523 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225385 1010167457 /nfs/dbraw/zinc/16/74/57/1010167457.db2.gz LJCYIRHDLXXXKB-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225385 1010167466 /nfs/dbraw/zinc/16/74/66/1010167466.db2.gz LJCYIRHDLXXXKB-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@H](C)CC)CC3)CC1 ZINC001094581474 1011262132 /nfs/dbraw/zinc/26/21/32/1011262132.db2.gz BSBJSAKTQKKCIE-SYYKKAFVSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@H](C)CC)CC3)CC1 ZINC001094581474 1011262145 /nfs/dbraw/zinc/26/21/45/1011262145.db2.gz BSBJSAKTQKKCIE-SYYKKAFVSA-N 1 3 359.558 2.739 20 30 FFEDHO C[NH+](C)CCN1CCC2(CCN(Cc3cc(C#N)ccc3Cl)CC2)C1=O ZINC001275234214 1012119385 /nfs/dbraw/zinc/11/93/85/1012119385.db2.gz KDHXLKVCJVVVRU-UHFFFAOYSA-N 1 3 374.916 2.588 20 30 FFEDHO CCCN1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]2C1 ZINC001172990767 1012154023 /nfs/dbraw/zinc/15/40/23/1012154023.db2.gz RQIDRAJRXBYVMC-BDXSIMOUSA-N 1 3 362.518 2.552 20 30 FFEDHO CN(C)C(=O)C1CC[NH+](C2CCN(C3CCC(C)(C#N)CC3)CC2)CC1 ZINC001173594681 1012765213 /nfs/dbraw/zinc/76/52/13/1012765213.db2.gz JTHGFORLCBZBNB-UHFFFAOYSA-N 1 3 360.546 2.723 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC1 ZINC001098460489 1020927354 /nfs/dbraw/zinc/92/73/54/1020927354.db2.gz DFECIODZLPNGNF-NJYVYQBISA-N 1 3 357.542 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC1 ZINC001098460489 1020927361 /nfs/dbraw/zinc/92/73/61/1020927361.db2.gz DFECIODZLPNGNF-NJYVYQBISA-N 1 3 357.542 2.633 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099274570 1022205952 /nfs/dbraw/zinc/20/59/52/1022205952.db2.gz HRIMAOCDUJZDED-OAGGEKHMSA-N 1 3 361.452 2.662 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099274570 1022205960 /nfs/dbraw/zinc/20/59/60/1022205960.db2.gz HRIMAOCDUJZDED-OAGGEKHMSA-N 1 3 361.452 2.662 20 30 FFEDHO CN1CCN(Cc2ccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)cc2)CC1 ZINC001159507882 1027416122 /nfs/dbraw/zinc/41/61/22/1027416122.db2.gz IYVYIBXIYNHGCJ-UHFFFAOYSA-N 1 3 361.493 2.736 20 30 FFEDHO CCCCN(CC#N)C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160734636 1027843120 /nfs/dbraw/zinc/84/31/20/1027843120.db2.gz FDOAETFKCCXLIB-IFMALSPDSA-N 1 3 368.525 2.640 20 30 FFEDHO CCCN(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103663419 1027922310 /nfs/dbraw/zinc/92/23/10/1027922310.db2.gz ABTAYXAOAGWACX-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO CCCN(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103663419 1027922326 /nfs/dbraw/zinc/92/23/26/1027922326.db2.gz ABTAYXAOAGWACX-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C(F)(F)F ZINC001112179827 1030160331 /nfs/dbraw/zinc/16/03/31/1030160331.db2.gz MPGIYCAEIIVTNO-HZPDHXFCSA-N 1 3 361.452 2.501 20 30 FFEDHO C=CCOC(=O)N1CCC[C@]2(CCN(Cc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC001205002083 1031484056 /nfs/dbraw/zinc/48/40/56/1031484056.db2.gz YYWBHQVGQOCXAN-OAQYLSRUSA-N 1 3 355.482 2.900 20 30 FFEDHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001226825241 1034854313 /nfs/dbraw/zinc/85/43/13/1034854313.db2.gz YNETZTONMNDPND-WOJBJXKFSA-N 1 3 354.498 2.560 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001226843968 1034859083 /nfs/dbraw/zinc/85/90/83/1034859083.db2.gz XLLATNVYFMABMY-UYAOXDASSA-N 1 3 370.541 2.704 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001226843968 1034859089 /nfs/dbraw/zinc/85/90/89/1034859089.db2.gz XLLATNVYFMABMY-UYAOXDASSA-N 1 3 370.541 2.704 20 30 FFEDHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC001228365272 1036069529 /nfs/dbraw/zinc/06/95/29/1036069529.db2.gz ACSMEHQMCNRWMB-RTBURBONSA-N 1 3 361.917 2.660 20 30 FFEDHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001228435990 1036111660 /nfs/dbraw/zinc/11/16/60/1036111660.db2.gz SDMFPJLELQTQRN-VAMGGRTRSA-N 1 3 356.514 2.661 20 30 FFEDHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001230257206 1037180171 /nfs/dbraw/zinc/18/01/71/1037180171.db2.gz MHUPLXHNSIQCMK-FGZHOGPDSA-N 1 3 367.537 2.931 20 30 FFEDHO N#Cc1ccc(F)cc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278939570 1038529941 /nfs/dbraw/zinc/52/99/41/1038529941.db2.gz OULKZNHFHAAGGH-HDICACEKSA-N 1 3 353.445 2.764 20 30 FFEDHO N#Cc1ccc(F)cc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278939570 1038529948 /nfs/dbraw/zinc/52/99/48/1038529948.db2.gz OULKZNHFHAAGGH-HDICACEKSA-N 1 3 353.445 2.764 20 30 FFEDHO N#Cc1ccc2c(c1)CCN(CC1(O)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001254034427 1040535598 /nfs/dbraw/zinc/53/55/98/1040535598.db2.gz KLAGNMIUGDPJOO-UHFFFAOYSA-N 1 3 361.489 2.943 20 30 FFEDHO N#Cc1ccc2c(c1)CC[N@@H+](CC1(O)CCN(Cc3ccccc3)CC1)C2 ZINC001254034427 1040535617 /nfs/dbraw/zinc/53/56/17/1040535617.db2.gz KLAGNMIUGDPJOO-UHFFFAOYSA-N 1 3 361.489 2.943 20 30 FFEDHO N#Cc1ccc2c(c1)CC[N@H+](CC1(O)CCN(Cc3ccccc3)CC1)C2 ZINC001254034427 1040535635 /nfs/dbraw/zinc/53/56/35/1040535635.db2.gz KLAGNMIUGDPJOO-UHFFFAOYSA-N 1 3 361.489 2.943 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001342247668 1050839255 /nfs/dbraw/zinc/83/92/55/1050839255.db2.gz NKPFLBPGLFXREZ-MSOLQXFVSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001342247668 1050839268 /nfs/dbraw/zinc/83/92/68/1050839268.db2.gz NKPFLBPGLFXREZ-MSOLQXFVSA-N 1 3 360.550 2.584 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001467868199 1063871239 /nfs/dbraw/zinc/87/12/39/1063871239.db2.gz IWQXPXQLBMUOQJ-LJQANCHMSA-N 1 3 370.541 2.673 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001467868199 1063871248 /nfs/dbraw/zinc/87/12/48/1063871248.db2.gz IWQXPXQLBMUOQJ-LJQANCHMSA-N 1 3 370.541 2.673 20 30 FFEDHO C=CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001574924899 1078093330 /nfs/dbraw/zinc/09/33/30/1078093330.db2.gz BBWIRCUIIAORMB-LJQANCHMSA-N 1 3 368.529 2.670 20 30 FFEDHO C#CC[C@]1(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)CCC[NH2+]1 ZINC001574505627 1078004204 /nfs/dbraw/zinc/00/42/04/1078004204.db2.gz XRGXSAUCXBKUHR-IFMALSPDSA-N 1 3 353.510 2.645 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000079440366 507962278 /nfs/dbraw/zinc/96/22/78/507962278.db2.gz ZVGDSCOWXLHFRT-PMACEKPBSA-N 1 3 362.562 2.955 20 30 FFEDHO N#CC1(c2ccccc2)CC([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000128089404 508546007 /nfs/dbraw/zinc/54/60/07/508546007.db2.gz BQTLLBMFNPELQV-UTZODRGISA-N 1 3 353.510 2.968 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000246274315 510399065 /nfs/dbraw/zinc/39/90/65/510399065.db2.gz JGCHFXKCCZVBDM-IPMKNSEASA-N 1 3 350.551 2.667 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(C)C ZINC000246274315 510399070 /nfs/dbraw/zinc/39/90/70/510399070.db2.gz JGCHFXKCCZVBDM-IPMKNSEASA-N 1 3 350.551 2.667 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184747544 510497435 /nfs/dbraw/zinc/49/74/35/510497435.db2.gz JYWDNKGKURQAMI-WIJYIEBRSA-N 1 3 368.525 2.541 20 30 FFEDHO CCN1CCN(CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285480313 510923351 /nfs/dbraw/zinc/92/33/51/510923351.db2.gz BKUYSFQFIHFLJZ-UHFFFAOYSA-N 1 3 369.557 2.534 20 30 FFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278680625 511003637 /nfs/dbraw/zinc/00/36/37/511003637.db2.gz OYLNLDAJCFTMQE-RBUKOAKNSA-N 1 3 352.486 2.821 20 30 FFEDHO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CN3CCN2CC3)cc1 ZINC000305169360 511758694 /nfs/dbraw/zinc/75/86/94/511758694.db2.gz DVDGOPLJHSYJSY-NRFANRHFSA-N 1 3 363.509 2.553 20 30 FFEDHO C#CCCOc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363870818 511820635 /nfs/dbraw/zinc/82/06/35/511820635.db2.gz XOUXSCUXGMADSD-UHFFFAOYSA-N 1 3 369.553 2.938 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418355510 513480749 /nfs/dbraw/zinc/48/07/49/513480749.db2.gz FVJHECXOJAIDKK-FQEVSTJZSA-N 1 3 371.529 2.539 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)C(C)C ZINC000474303666 515980923 /nfs/dbraw/zinc/98/09/23/515980923.db2.gz PYRFOERSVUZIOC-NRFANRHFSA-N 1 3 355.526 2.803 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC000518626093 516726117 /nfs/dbraw/zinc/72/61/17/516726117.db2.gz FZCMLOJQPDNSQL-PMACEKPBSA-N 1 3 362.562 2.955 20 30 FFEDHO CC[N@H+](CCC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1)CC(C)C ZINC000552993873 517469748 /nfs/dbraw/zinc/46/97/48/517469748.db2.gz WUNCDYKHMBUATB-GOSISDBHSA-N 1 3 350.551 2.827 20 30 FFEDHO CC[N@@H+](CCC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1)CC(C)C ZINC000552993873 517469755 /nfs/dbraw/zinc/46/97/55/517469755.db2.gz WUNCDYKHMBUATB-GOSISDBHSA-N 1 3 350.551 2.827 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000557485328 518029191 /nfs/dbraw/zinc/02/91/91/518029191.db2.gz GRWCWZUZMYWXCJ-KRWDZBQOSA-N 1 3 368.525 2.932 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610407566 520669553 /nfs/dbraw/zinc/66/95/53/520669553.db2.gz ZLVMHFJXVWBXHR-YLJYHZDGSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610407566 520669562 /nfs/dbraw/zinc/66/95/62/520669562.db2.gz ZLVMHFJXVWBXHR-YLJYHZDGSA-N 1 3 371.529 2.677 20 30 FFEDHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598715484 520806647 /nfs/dbraw/zinc/80/66/47/520806647.db2.gz RNUDPJGPPPQTSZ-OAQYLSRUSA-N 1 3 372.557 2.788 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000596632846 521178208 /nfs/dbraw/zinc/17/82/08/521178208.db2.gz PPLVFTQDYXOCPF-OXJNMPFZSA-N 1 3 371.529 2.507 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000596632846 521178213 /nfs/dbraw/zinc/17/82/13/521178213.db2.gz PPLVFTQDYXOCPF-OXJNMPFZSA-N 1 3 371.529 2.507 20 30 FFEDHO C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000597021797 521452539 /nfs/dbraw/zinc/45/25/39/521452539.db2.gz SCMJPOAPMOGJSD-NQIIRXRSSA-N 1 3 352.526 2.700 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)cc1C ZINC000304763327 729737471 /nfs/dbraw/zinc/73/74/71/729737471.db2.gz WQZPQOBQNSMVNA-OAHLLOKOSA-N 1 3 353.308 2.646 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000876770878 732279233 /nfs/dbraw/zinc/27/92/33/732279233.db2.gz RKQHFTLNSNEWDV-SFHVURJKSA-N 1 3 364.921 2.873 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000876900974 732294695 /nfs/dbraw/zinc/29/46/95/732294695.db2.gz VVANWFZWNMGNRW-GBESFXJTSA-N 1 3 361.917 2.969 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000876900974 732294696 /nfs/dbraw/zinc/29/46/96/732294696.db2.gz VVANWFZWNMGNRW-GBESFXJTSA-N 1 3 361.917 2.969 20 30 FFEDHO [NH2+]=C(NCc1noc2c1CCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000262246072 970983877 /nfs/dbraw/zinc/98/38/77/970983877.db2.gz BCEFCLXXYUMUEC-UHFFFAOYSA-N 1 3 367.497 2.622 20 30 FFEDHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001087181193 965288965 /nfs/dbraw/zinc/28/89/65/965288965.db2.gz FVTYNAOTVQWBDK-LSTHTHJFSA-N 1 3 356.514 2.615 20 30 FFEDHO C[NH+]=C(NCC1(N(C)C)CCCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262014104 965315959 /nfs/dbraw/zinc/31/59/59/965315959.db2.gz XIWGVNUNGXWEPI-ROUUACIJSA-N 1 3 360.550 2.606 20 30 FFEDHO c1coc(CCNC(=[NH+]C2CC2)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000262608749 968183012 /nfs/dbraw/zinc/18/30/12/968183012.db2.gz ALCVCDGLRMRJDI-OXQOHEQNSA-N 1 3 356.514 2.879 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001027420139 974409495 /nfs/dbraw/zinc/40/94/95/974409495.db2.gz YOTWMGSCHXEGAQ-PCCBWWKXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001027420139 974409499 /nfs/dbraw/zinc/40/94/99/974409499.db2.gz YOTWMGSCHXEGAQ-PCCBWWKXSA-N 1 3 368.525 2.711 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC[NH+]1CCCC1 ZINC000729322963 978239278 /nfs/dbraw/zinc/23/92/78/978239278.db2.gz MKXQCWACCXZGIQ-UHFFFAOYSA-N 1 3 356.514 2.715 20 30 FFEDHO CC#CCN1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000969042071 1014760184 /nfs/dbraw/zinc/76/01/84/1014760184.db2.gz GYPXMSDCRUEUTE-BDTNDASRSA-N 1 3 367.537 2.716 20 30 FFEDHO CC#CCN1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000969042071 1014760191 /nfs/dbraw/zinc/76/01/91/1014760191.db2.gz GYPXMSDCRUEUTE-BDTNDASRSA-N 1 3 367.537 2.716 20 30 FFEDHO CC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC001107598482 984775217 /nfs/dbraw/zinc/77/52/17/984775217.db2.gz DVIHMFOHHBBLJX-FYYLOGMGSA-N 1 3 367.537 2.741 20 30 FFEDHO CC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC001107598482 984775221 /nfs/dbraw/zinc/77/52/21/984775221.db2.gz DVIHMFOHHBBLJX-FYYLOGMGSA-N 1 3 367.537 2.741 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079162741 991870154 /nfs/dbraw/zinc/87/01/54/991870154.db2.gz YVUFTFJZUDUNID-LEWJYISDSA-N 1 3 371.500 2.609 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@H]2C)CC1 ZINC001080997859 993548664 /nfs/dbraw/zinc/54/86/64/993548664.db2.gz MTXFPAGFWQQCBL-XQBPLPMBSA-N 1 3 367.537 2.838 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@H]2C)CC1 ZINC001080997859 993548669 /nfs/dbraw/zinc/54/86/69/993548669.db2.gz MTXFPAGFWQQCBL-XQBPLPMBSA-N 1 3 367.537 2.838 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000730125638 996857391 /nfs/dbraw/zinc/85/73/91/996857391.db2.gz YNVMLEQICHAADD-UHFFFAOYSA-N 1 3 371.529 2.600 20 30 FFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941187 998231966 /nfs/dbraw/zinc/23/19/66/998231966.db2.gz UGSAPEYIOFHRBV-SBHAEUEKSA-N 1 3 357.542 2.587 20 30 FFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941187 998231974 /nfs/dbraw/zinc/23/19/74/998231974.db2.gz UGSAPEYIOFHRBV-SBHAEUEKSA-N 1 3 357.542 2.587 20 30 FFEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109968337 1001210022 /nfs/dbraw/zinc/21/00/22/1001210022.db2.gz AVOSHHJJDKCBQM-AABGKKOBSA-N 1 3 365.562 2.813 20 30 FFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094582457 1011264967 /nfs/dbraw/zinc/26/49/67/1011264967.db2.gz OYCMSPBANQWTCR-IFMALSPDSA-N 1 3 353.510 2.746 20 30 FFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094582457 1011264981 /nfs/dbraw/zinc/26/49/81/1011264981.db2.gz OYCMSPBANQWTCR-IFMALSPDSA-N 1 3 353.510 2.746 20 30 FFEDHO C#C[C@@H]([NH2+]Cc1ccccc1N1CCN(CCC)CC1)C1CCOCC1 ZINC000827565036 1018496371 /nfs/dbraw/zinc/49/63/71/1018496371.db2.gz HSHDYRJWZGXTMC-OAQYLSRUSA-N 1 3 355.526 2.737 20 30 FFEDHO C[C@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000903024872 1020636325 /nfs/dbraw/zinc/63/63/25/1020636325.db2.gz OWHZNJOJKQYISE-KRWDZBQOSA-N 1 3 350.466 2.631 20 30 FFEDHO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001122401771 1023246901 /nfs/dbraw/zinc/24/69/01/1023246901.db2.gz FMUJNHMPJIGBNQ-SJORKVTESA-N 1 3 360.550 2.582 20 30 FFEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622662 1026444357 /nfs/dbraw/zinc/44/43/57/1026444357.db2.gz IXQQEPHBIVRWFB-PZJWPPBQSA-N 1 3 370.541 2.636 20 30 FFEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622662 1026444362 /nfs/dbraw/zinc/44/43/62/1026444362.db2.gz IXQQEPHBIVRWFB-PZJWPPBQSA-N 1 3 370.541 2.636 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090398 1026951860 /nfs/dbraw/zinc/95/18/60/1026951860.db2.gz UEGIAWYTJZIMOT-IEBWSBKVSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090398 1026951865 /nfs/dbraw/zinc/95/18/65/1026951865.db2.gz UEGIAWYTJZIMOT-IEBWSBKVSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103156620 1027011035 /nfs/dbraw/zinc/01/10/35/1027011035.db2.gz OCYNAROZXPBZAI-YLJYHZDGSA-N 1 3 370.541 2.863 20 30 FFEDHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103156620 1027011043 /nfs/dbraw/zinc/01/10/43/1027011043.db2.gz OCYNAROZXPBZAI-YLJYHZDGSA-N 1 3 370.541 2.863 20 30 FFEDHO CN1CCC(N(c2cc(C#C[Si](C)(C)C)ccn2)C2CC[NH2+]CC2)CC1 ZINC001158590342 1027070711 /nfs/dbraw/zinc/07/07/11/1027070711.db2.gz CSPGQARZTXFOCZ-UHFFFAOYSA-N 1 3 370.617 2.963 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001103630525 1027826891 /nfs/dbraw/zinc/82/68/91/1027826891.db2.gz UXWMWDCNJADYJK-DNVCBOLYSA-N 1 3 367.965 2.935 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001153500997 1027908962 /nfs/dbraw/zinc/90/89/62/1027908962.db2.gz BLLRZIAMZUNURQ-LSTHTHJFSA-N 1 3 356.514 2.615 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001153500997 1027908984 /nfs/dbraw/zinc/90/89/84/1027908984.db2.gz BLLRZIAMZUNURQ-LSTHTHJFSA-N 1 3 356.514 2.615 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC001103751499 1028136259 /nfs/dbraw/zinc/13/62/59/1028136259.db2.gz CCTQNKRIQZEWTK-WIYYLYMNSA-N 1 3 359.558 2.596 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC001103751499 1028136272 /nfs/dbraw/zinc/13/62/72/1028136272.db2.gz CCTQNKRIQZEWTK-WIYYLYMNSA-N 1 3 359.558 2.596 20 30 FFEDHO N=C(Nc1cnccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001163683504 1029023725 /nfs/dbraw/zinc/02/37/25/1029023725.db2.gz DHRHNWYJQIUKBX-UHFFFAOYSA-N 1 3 350.344 2.974 20 30 FFEDHO N=C(Nc1c[nH+]ccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001163683504 1029023742 /nfs/dbraw/zinc/02/37/42/1029023742.db2.gz DHRHNWYJQIUKBX-UHFFFAOYSA-N 1 3 350.344 2.974 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001205415428 1031727583 /nfs/dbraw/zinc/72/75/83/1031727583.db2.gz UQVWFQMUCCHPJN-VQTJNVASSA-N 1 3 359.489 2.770 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1csc2ccccc12 ZINC001220868106 1034435528 /nfs/dbraw/zinc/43/55/28/1034435528.db2.gz BHMCQZYWPDTEGH-IRXDYDNUSA-N 1 3 357.523 2.928 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001226843965 1034859649 /nfs/dbraw/zinc/85/96/49/1034859649.db2.gz XLLATNVYFMABMY-AZUAARDMSA-N 1 3 370.541 2.704 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001226843965 1034859659 /nfs/dbraw/zinc/85/96/59/1034859659.db2.gz XLLATNVYFMABMY-AZUAARDMSA-N 1 3 370.541 2.704 20 30 FFEDHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC001228262114 1036021926 /nfs/dbraw/zinc/02/19/26/1036021926.db2.gz PIPJKAKLXHECBK-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO CCC[NH+]1CCC(N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001258774445 1039510710 /nfs/dbraw/zinc/51/07/10/1039510710.db2.gz OEWYWEGNRHLFIW-QFIPXVFZSA-N 1 3 366.509 2.861 20 30 FFEDHO C=CCc1cccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1[O-] ZINC001279605214 1043330847 /nfs/dbraw/zinc/33/08/47/1043330847.db2.gz ZAABTGDFYOTMCQ-JOCHJYFZSA-N 1 3 357.542 2.970 20 30 FFEDHO C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1[O-] ZINC001279605214 1043330859 /nfs/dbraw/zinc/33/08/59/1043330859.db2.gz ZAABTGDFYOTMCQ-JOCHJYFZSA-N 1 3 357.542 2.970 20 30 FFEDHO C[NH+](C)CCCOc1ccc(CN2CC[C@H]3[C@@H]2CCN3CCC#N)cc1 ZINC001280181059 1044362080 /nfs/dbraw/zinc/36/20/80/1044362080.db2.gz DHUHHYFWCAIFJA-SFTDATJTSA-N 1 3 356.514 2.579 20 30 FFEDHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)N3CC(CC#N)C3)CC2)CC1 ZINC001280250209 1044472689 /nfs/dbraw/zinc/47/26/89/1044472689.db2.gz IGDYZSLSUBYCDV-KRWDZBQOSA-N 1 3 360.546 2.581 20 30 FFEDHO C#CCCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001567653926 1077041951 /nfs/dbraw/zinc/04/19/51/1077041951.db2.gz GKZLOVQNSJNSQF-DUXKGJEZSA-N 1 3 355.526 2.920 20 30 FFEDHO C#CCCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001567653926 1077041956 /nfs/dbraw/zinc/04/19/56/1077041956.db2.gz GKZLOVQNSJNSQF-DUXKGJEZSA-N 1 3 355.526 2.920 20 30 FFEDHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)C ZINC000043063538 506694003 /nfs/dbraw/zinc/69/40/03/506694003.db2.gz DGMOBJGVQWDVDR-UHFFFAOYSA-N 1 3 373.545 2.750 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000106263582 508398741 /nfs/dbraw/zinc/39/87/41/508398741.db2.gz BGELYMFKHZXJBA-QZTJIDSGSA-N 1 3 350.551 2.694 20 30 FFEDHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000150996455 508937199 /nfs/dbraw/zinc/93/71/99/508937199.db2.gz YXBLJMQELJYKAM-UHFFFAOYSA-N 1 3 356.514 2.618 20 30 FFEDHO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000264066356 509313963 /nfs/dbraw/zinc/31/39/63/509313963.db2.gz BJCSNBVOMPZLOE-CRAIPNDOSA-N 1 3 359.518 2.560 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000190008427 509882282 /nfs/dbraw/zinc/88/22/82/509882282.db2.gz OITMZGQKRZWFFQ-YLJYHZDGSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000190008427 509882286 /nfs/dbraw/zinc/88/22/86/509882286.db2.gz OITMZGQKRZWFFQ-YLJYHZDGSA-N 1 3 372.513 2.613 20 30 FFEDHO C=CCOc1cccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000265498674 510087036 /nfs/dbraw/zinc/08/70/36/510087036.db2.gz COCDAZSFACZMMV-UHFFFAOYSA-N 1 3 367.493 2.833 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000280270765 511400539 /nfs/dbraw/zinc/40/05/39/511400539.db2.gz CYDZOXIBFONJQV-PMACEKPBSA-N 1 3 350.466 2.717 20 30 FFEDHO Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000272892104 511510594 /nfs/dbraw/zinc/51/05/94/511510594.db2.gz IWXJFXVEZSRMGU-FQEVSTJZSA-N 1 3 352.482 2.797 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000417074904 514155045 /nfs/dbraw/zinc/15/50/45/514155045.db2.gz ZDPOVSZTPUITRP-HXUWFJFHSA-N 1 3 356.514 2.788 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C(C)C ZINC000417074286 514155213 /nfs/dbraw/zinc/15/52/13/514155213.db2.gz ZABUFZKYKZYTQP-UXHICEINSA-N 1 3 362.562 2.859 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000470969325 514697617 /nfs/dbraw/zinc/69/76/17/514697617.db2.gz SZOKVIIXNCEZKU-WOJBJXKFSA-N 1 3 350.466 2.621 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000470969325 514697633 /nfs/dbraw/zinc/69/76/33/514697633.db2.gz SZOKVIIXNCEZKU-WOJBJXKFSA-N 1 3 350.466 2.621 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000518530092 516694901 /nfs/dbraw/zinc/69/49/01/516694901.db2.gz NISYPEHLMXPITJ-CALCHBBNSA-N 1 3 350.551 2.693 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000518530092 516694907 /nfs/dbraw/zinc/69/49/07/516694907.db2.gz NISYPEHLMXPITJ-CALCHBBNSA-N 1 3 350.551 2.693 20 30 FFEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000555309641 516874649 /nfs/dbraw/zinc/87/46/49/516874649.db2.gz WDJFWAOCPAPRCM-UHFFFAOYSA-N 1 3 369.513 2.510 20 30 FFEDHO Cc1c2cc(C#N)ccc2sc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000550328585 517999062 /nfs/dbraw/zinc/99/90/62/517999062.db2.gz XOWKBXTZCBTPDT-UHFFFAOYSA-N 1 3 358.511 2.647 20 30 FFEDHO C=CCN(CC(F)(F)F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000564098660 518306617 /nfs/dbraw/zinc/30/66/17/518306617.db2.gz VZBWCCXBIDHOBI-UHFFFAOYSA-N 1 3 361.452 2.760 20 30 FFEDHO COc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)ccc1C#N ZINC000594968080 520234054 /nfs/dbraw/zinc/23/40/54/520234054.db2.gz DTGRXRSETLQKPY-UHFFFAOYSA-N 1 3 350.466 2.964 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000592526099 520439980 /nfs/dbraw/zinc/43/99/80/520439980.db2.gz FDSPUZLVWSFTGR-UHFFFAOYSA-N 1 3 362.562 2.934 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000592526099 520439986 /nfs/dbraw/zinc/43/99/86/520439986.db2.gz FDSPUZLVWSFTGR-UHFFFAOYSA-N 1 3 362.562 2.934 20 30 FFEDHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602580415 521422017 /nfs/dbraw/zinc/42/20/17/521422017.db2.gz DQAOBDONVPLPBE-CVEARBPZSA-N 1 3 370.419 2.836 20 30 FFEDHO C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000597021798 521452463 /nfs/dbraw/zinc/45/24/63/521452463.db2.gz SCMJPOAPMOGJSD-RXVVDRJESA-N 1 3 352.526 2.700 20 30 FFEDHO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](N(CC)CC)C1 ZINC000262384128 729665077 /nfs/dbraw/zinc/66/50/77/729665077.db2.gz KZNBLKBFEIJZCZ-FJIDUMEYSA-N 1 3 350.551 2.572 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC(F)(F)F)cc1 ZINC000303873211 729734883 /nfs/dbraw/zinc/73/48/83/729734883.db2.gz CIFLNWJOWBQXLE-CQSZACIVSA-N 1 3 358.408 2.516 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000876767194 732278757 /nfs/dbraw/zinc/27/87/57/732278757.db2.gz CZTDAXNEGMAWLI-MRXNPFEDSA-N 1 3 351.878 2.878 20 30 FFEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877129617 732326509 /nfs/dbraw/zinc/32/65/09/732326509.db2.gz DKTYWNGXPFIRPR-ZIAGYGMSSA-N 1 3 363.811 2.894 20 30 FFEDHO CC[NH+]1CCC(N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000740874527 735094414 /nfs/dbraw/zinc/09/44/14/735094414.db2.gz MSERYUPYSUTXOZ-OAHLLOKOSA-N 1 3 356.495 2.889 20 30 FFEDHO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000328650869 960242396 /nfs/dbraw/zinc/24/23/96/960242396.db2.gz BFHUNECAITWEKA-QZTJIDSGSA-N 1 3 373.545 2.843 20 30 FFEDHO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000328650869 960242403 /nfs/dbraw/zinc/24/24/03/960242403.db2.gz BFHUNECAITWEKA-QZTJIDSGSA-N 1 3 373.545 2.843 20 30 FFEDHO C[NH+]=C(NCCN(C)C1CCCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261661316 963178695 /nfs/dbraw/zinc/17/86/95/963178695.db2.gz AUHJIPIOQHJSMD-HKUYNNGSSA-N 1 3 360.550 2.606 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000960644550 1013439464 /nfs/dbraw/zinc/43/94/64/1013439464.db2.gz OZQIOIJUOSTZPJ-PCCBWWKXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000960644550 1013439470 /nfs/dbraw/zinc/43/94/70/1013439470.db2.gz OZQIOIJUOSTZPJ-PCCBWWKXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211615665 968025865 /nfs/dbraw/zinc/02/58/65/968025865.db2.gz AMPDGSWFAJBGAV-FDFHNCONSA-N 1 3 367.537 2.857 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211615665 968025877 /nfs/dbraw/zinc/02/58/77/968025877.db2.gz AMPDGSWFAJBGAV-FDFHNCONSA-N 1 3 367.537 2.857 20 30 FFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666809 988609887 /nfs/dbraw/zinc/60/98/87/988609887.db2.gz WKUHRZYMXAZUHN-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cccc(F)c1 ZINC001079186178 991896332 /nfs/dbraw/zinc/89/63/32/991896332.db2.gz DQOMPLZIDMOGQP-RBUKOAKNSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084662971 996792577 /nfs/dbraw/zinc/79/25/77/996792577.db2.gz GBNUBCWNSCZCNL-HLIPFELVSA-N 1 3 351.510 2.698 20 30 FFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084662971 996792583 /nfs/dbraw/zinc/79/25/83/996792583.db2.gz GBNUBCWNSCZCNL-HLIPFELVSA-N 1 3 351.510 2.698 20 30 FFEDHO CC[NH+](CC)Cc1cc(NC(=N)c2ccc(C(N)=O)cc2)ccc1OC ZINC001171260759 1000522343 /nfs/dbraw/zinc/52/23/43/1000522343.db2.gz MBDHYBJCQIBXOV-UHFFFAOYSA-N 1 3 354.454 2.673 20 30 FFEDHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1 ZINC001112548564 1001458480 /nfs/dbraw/zinc/45/84/80/1001458480.db2.gz GNFRDAGYXWMAOO-GMAHTHKFSA-N 1 3 367.537 2.598 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092604928 1003215174 /nfs/dbraw/zinc/21/51/74/1003215174.db2.gz QWENPFOTNVWMDC-CEMLEFRQSA-N 1 3 367.537 2.595 20 30 FFEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092604928 1003215184 /nfs/dbraw/zinc/21/51/84/1003215184.db2.gz QWENPFOTNVWMDC-CEMLEFRQSA-N 1 3 367.537 2.595 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997089 1004867294 /nfs/dbraw/zinc/86/72/94/1004867294.db2.gz LRDIOCSCRSWFSV-WOJBJXKFSA-N 1 3 367.578 2.773 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194997089 1004867299 /nfs/dbraw/zinc/86/72/99/1004867299.db2.gz LRDIOCSCRSWFSV-WOJBJXKFSA-N 1 3 367.578 2.773 20 30 FFEDHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001489093158 1005418771 /nfs/dbraw/zinc/41/87/71/1005418771.db2.gz MBHJOBRKAFYZQN-NHCUHLMSSA-N 1 3 355.526 2.716 20 30 FFEDHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001489093158 1005418774 /nfs/dbraw/zinc/41/87/74/1005418774.db2.gz MBHJOBRKAFYZQN-NHCUHLMSSA-N 1 3 355.526 2.716 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(CCCOc3ccc(C#N)cc3)CC2)CC1 ZINC000817285133 1007508007 /nfs/dbraw/zinc/50/80/07/1007508007.db2.gz GALZNVPXNFIRID-UHFFFAOYSA-N 1 3 370.541 2.819 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(CCCOc3ccc(C#N)cc3)CC2)CC1 ZINC000817285133 1007508011 /nfs/dbraw/zinc/50/80/11/1007508011.db2.gz GALZNVPXNFIRID-UHFFFAOYSA-N 1 3 370.541 2.819 20 30 FFEDHO C#CCN(C)CCCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000818606411 1007966964 /nfs/dbraw/zinc/96/69/64/1007966964.db2.gz SKMNYOQMKSXPIL-LJQANCHMSA-N 1 3 371.525 2.625 20 30 FFEDHO C#CCN(C)CCCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000818606411 1007966968 /nfs/dbraw/zinc/96/69/68/1007966968.db2.gz SKMNYOQMKSXPIL-LJQANCHMSA-N 1 3 371.525 2.625 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CC(C)C2)CC3)CC1 ZINC001094582787 1011266482 /nfs/dbraw/zinc/26/64/82/1011266482.db2.gz XMHFCGVWNAVISP-LDJWSDFVSA-N 1 3 371.569 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC(C)C2)CC3)CC1 ZINC001094582787 1011266493 /nfs/dbraw/zinc/26/64/93/1011266493.db2.gz XMHFCGVWNAVISP-LDJWSDFVSA-N 1 3 371.569 2.739 20 30 FFEDHO C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001216981251 1032578738 /nfs/dbraw/zinc/57/87/38/1032578738.db2.gz YLBKGSROAPKYPF-IFMALSPDSA-N 1 3 367.537 2.741 20 30 FFEDHO CCCNC(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000303872145 1012475311 /nfs/dbraw/zinc/47/53/11/1012475311.db2.gz BUFOANUMRRWJNS-UHFFFAOYSA-N 1 3 365.525 2.823 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC/C=C/CCC)C[C@H]32)CC1 ZINC001222043847 1032695788 /nfs/dbraw/zinc/69/57/88/1032695788.db2.gz FCRZJCLVYXQHLC-DZEXYBDGSA-N 1 3 357.542 2.611 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CC/C=C/CCC)C[C@H]32)CC1 ZINC001222043847 1032695792 /nfs/dbraw/zinc/69/57/92/1032695792.db2.gz FCRZJCLVYXQHLC-DZEXYBDGSA-N 1 3 357.542 2.611 20 30 FFEDHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccccc1O2 ZINC001120480738 1023336178 /nfs/dbraw/zinc/33/61/78/1023336178.db2.gz BTNMETNSGZVEGS-FUHWJXTLSA-N 1 3 355.482 2.619 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC/C=C/CCC)C[C@H]2C)CC1 ZINC001102596387 1026390255 /nfs/dbraw/zinc/39/02/55/1026390255.db2.gz CQCHZHXWROQJGB-WKQNUPFUSA-N 1 3 359.558 2.762 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC/C=C/CCC)C[C@H]2C)CC1 ZINC001102596387 1026390266 /nfs/dbraw/zinc/39/02/66/1026390266.db2.gz CQCHZHXWROQJGB-WKQNUPFUSA-N 1 3 359.558 2.762 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001103162516 1027018409 /nfs/dbraw/zinc/01/84/09/1027018409.db2.gz AIFHOMAQTNFFPF-NVXWUHKLSA-N 1 3 364.921 2.735 20 30 FFEDHO CN1CCN(Cc2cccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)c2)CC1 ZINC001159661791 1027462110 /nfs/dbraw/zinc/46/21/10/1027462110.db2.gz GGUPMIDPOHVHGM-UHFFFAOYSA-N 1 3 361.493 2.736 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001103434176 1027473448 /nfs/dbraw/zinc/47/34/48/1027473448.db2.gz SGXHPMRABDSYCN-KCZVDYSFSA-N 1 3 367.537 2.597 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001103434176 1027473456 /nfs/dbraw/zinc/47/34/56/1027473456.db2.gz SGXHPMRABDSYCN-KCZVDYSFSA-N 1 3 367.537 2.597 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103433727 1027473830 /nfs/dbraw/zinc/47/38/30/1027473830.db2.gz KEACWAKUGHSBGY-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103433727 1027473839 /nfs/dbraw/zinc/47/38/39/1027473839.db2.gz KEACWAKUGHSBGY-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)N(C)C ZINC001103444767 1027491373 /nfs/dbraw/zinc/49/13/73/1027491373.db2.gz IYASNRLIBVZGGG-RKVPGOIHSA-N 1 3 362.543 2.534 20 30 FFEDHO CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)N(C)C ZINC001103444767 1027491383 /nfs/dbraw/zinc/49/13/83/1027491383.db2.gz IYASNRLIBVZGGG-RKVPGOIHSA-N 1 3 362.543 2.534 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001103751890 1028137551 /nfs/dbraw/zinc/13/75/51/1028137551.db2.gz XKXNRCMWRYZXBC-SVFBPWRDSA-N 1 3 359.558 2.761 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001103751890 1028137560 /nfs/dbraw/zinc/13/75/60/1028137560.db2.gz XKXNRCMWRYZXBC-SVFBPWRDSA-N 1 3 359.558 2.761 20 30 FFEDHO C#CC[C@@H]1CCCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000829799126 1033344483 /nfs/dbraw/zinc/34/44/83/1033344483.db2.gz KLXYHNFFLCQCLH-VQTJNVASSA-N 1 3 367.537 2.891 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049353 1033489146 /nfs/dbraw/zinc/48/91/46/1033489146.db2.gz KGBRHQXMJQOLMO-VQTJNVASSA-N 1 3 365.562 2.744 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052303 1033491073 /nfs/dbraw/zinc/49/10/73/1033491073.db2.gz SFIIWAZARBCJLI-VQTJNVASSA-N 1 3 365.562 2.744 20 30 FFEDHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)[NH+](C)C ZINC001226932887 1034888199 /nfs/dbraw/zinc/88/81/99/1034888199.db2.gz STHWBBPTMIFLTF-NJYVYQBISA-N 1 3 355.526 2.641 20 30 FFEDHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)N1CCCC1 ZINC001227901267 1035795075 /nfs/dbraw/zinc/79/50/75/1035795075.db2.gz WLLVMHBEYSSJDW-NHCUHLMSSA-N 1 3 367.537 2.930 20 30 FFEDHO N#Cc1ccc(-c2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247831509 1039979423 /nfs/dbraw/zinc/97/94/23/1039979423.db2.gz TWLZDBSGQZQKMV-SFHVURJKSA-N 1 3 357.417 2.552 20 30 FFEDHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001215519019 1041812670 /nfs/dbraw/zinc/81/26/70/1041812670.db2.gz URONEFBTLGZXNV-NRSPTQNISA-N 1 3 355.526 2.595 20 30 FFEDHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001279311992 1042995392 /nfs/dbraw/zinc/99/53/92/1042995392.db2.gz GVVCIYIMNYFYBM-HXUWFJFHSA-N 1 3 362.468 2.686 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001331711278 1048076102 /nfs/dbraw/zinc/07/61/02/1048076102.db2.gz FKVFNONVAJRHKC-LJQANCHMSA-N 1 3 370.541 2.623 20 30 FFEDHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001479453447 1062420936 /nfs/dbraw/zinc/42/09/36/1062420936.db2.gz DANQLWHKYMLYFK-IOMROCGXSA-N 1 3 368.525 2.807 20 30 FFEDHO C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001479453447 1062420941 /nfs/dbraw/zinc/42/09/41/1062420941.db2.gz DANQLWHKYMLYFK-IOMROCGXSA-N 1 3 368.525 2.807 20 30 FFEDHO CN(CCC#N)c1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000126058562 509059019 /nfs/dbraw/zinc/05/90/19/509059019.db2.gz YIVLHEOUFFHBHJ-UHFFFAOYSA-N 1 3 369.557 2.685 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(SCC#N)c3)CC2)CC1 ZINC000176034899 509285088 /nfs/dbraw/zinc/28/50/88/509285088.db2.gz DXZXILKCHONFKJ-UHFFFAOYSA-N 1 3 372.538 2.591 20 30 FFEDHO C[C@H](NC(=[NH2+])NCCCN1CCC(O)CC1)c1ccc(Cl)cc1Cl ZINC000264087996 509324392 /nfs/dbraw/zinc/32/43/92/509324392.db2.gz KCWRRENWZWHQEI-LBPRGKRZSA-N 1 3 373.328 2.806 20 30 FFEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](CN(C)C)C3)sc2C1 ZINC000265182650 509906667 /nfs/dbraw/zinc/90/66/67/509906667.db2.gz WTMIVNTZHPITGH-LSDHHAIUSA-N 1 3 374.554 2.957 20 30 FFEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](CN(C)C)C3)sc2C1 ZINC000265182650 509906672 /nfs/dbraw/zinc/90/66/72/509906672.db2.gz WTMIVNTZHPITGH-LSDHHAIUSA-N 1 3 374.554 2.957 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000245678844 510079471 /nfs/dbraw/zinc/07/94/71/510079471.db2.gz GFAKZSGNXBZNJA-IPMKNSEASA-N 1 3 350.551 2.809 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000245678844 510079478 /nfs/dbraw/zinc/07/94/78/510079478.db2.gz GFAKZSGNXBZNJA-IPMKNSEASA-N 1 3 350.551 2.809 20 30 FFEDHO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184743287 510495251 /nfs/dbraw/zinc/49/52/51/510495251.db2.gz NMWGPSDFZDRMAW-SPEDKVCISA-N 1 3 370.541 2.787 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000287508388 511051766 /nfs/dbraw/zinc/05/17/66/511051766.db2.gz UOIZWZJJAWWDEC-FQEVSTJZSA-N 1 3 374.529 2.638 20 30 FFEDHO C=CCc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc(OC)c1O ZINC000289387404 511099586 /nfs/dbraw/zinc/09/95/86/511099586.db2.gz DJUOEZNADJCMSU-UHFFFAOYSA-N 1 3 373.541 2.589 20 30 FFEDHO CC[C@@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329693149 512087253 /nfs/dbraw/zinc/08/72/53/512087253.db2.gz WRFPBUURPSTTPE-LSDHHAIUSA-N 1 3 350.507 2.647 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C(C)C ZINC000417070761 514152101 /nfs/dbraw/zinc/15/21/01/514152101.db2.gz VSLKBASVJZTCOZ-XUVXKRRUSA-N 1 3 362.562 2.716 20 30 FFEDHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424126055 514389957 /nfs/dbraw/zinc/38/99/57/514389957.db2.gz BBNCFENGFYHTPB-MBOZVWFJSA-N 1 3 356.514 2.802 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000424179134 514407853 /nfs/dbraw/zinc/40/78/53/514407853.db2.gz XTETYCQOEZQLLO-HSALFYBXSA-N 1 3 354.498 2.521 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424179134 514407860 /nfs/dbraw/zinc/40/78/60/514407860.db2.gz XTETYCQOEZQLLO-HSALFYBXSA-N 1 3 354.498 2.521 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000424179141 514408627 /nfs/dbraw/zinc/40/86/27/514408627.db2.gz XTETYCQOEZQLLO-UFYCRDLUSA-N 1 3 354.498 2.521 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424179141 514408634 /nfs/dbraw/zinc/40/86/34/514408634.db2.gz XTETYCQOEZQLLO-UFYCRDLUSA-N 1 3 354.498 2.521 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475452355 514669909 /nfs/dbraw/zinc/66/99/09/514669909.db2.gz UFRDBXIGEIXTKL-FQEVSTJZSA-N 1 3 370.541 2.976 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475452355 514669919 /nfs/dbraw/zinc/66/99/19/514669919.db2.gz UFRDBXIGEIXTKL-FQEVSTJZSA-N 1 3 370.541 2.976 20 30 FFEDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000570438538 518606895 /nfs/dbraw/zinc/60/68/95/518606895.db2.gz IJKMZEGOWFMXHH-OAHLLOKOSA-N 1 3 368.447 2.940 20 30 FFEDHO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(OC)c1 ZINC000573477762 518685349 /nfs/dbraw/zinc/68/53/49/518685349.db2.gz JQQGPKVFVCYPRC-CEXWTWQISA-N 1 3 362.514 2.626 20 30 FFEDHO C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000609166821 520216713 /nfs/dbraw/zinc/21/67/13/520216713.db2.gz DISFZZZRXGWHDC-IBGZPJMESA-N 1 3 374.504 2.732 20 30 FFEDHO C=CCCSCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000597971288 520356000 /nfs/dbraw/zinc/35/60/00/520356000.db2.gz WEAUQFVPXHGTOE-UHFFFAOYSA-N 1 3 353.576 2.608 20 30 FFEDHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@@H](O)CC3(C#N)CC3)CC2)c1 ZINC000600716418 520415978 /nfs/dbraw/zinc/41/59/78/520415978.db2.gz FOPBJVSSCXUVQM-NRFANRHFSA-N 1 3 370.541 2.542 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000598217734 520499830 /nfs/dbraw/zinc/49/98/30/520499830.db2.gz AOHWXTYGKKLORL-RBUKOAKNSA-N 1 3 350.466 2.764 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000598217734 520499838 /nfs/dbraw/zinc/49/98/38/520499838.db2.gz AOHWXTYGKKLORL-RBUKOAKNSA-N 1 3 350.466 2.764 20 30 FFEDHO CCOc1ccc(Cl)cc1CCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000305286915 729737948 /nfs/dbraw/zinc/73/79/48/729737948.db2.gz FLTAGYJXTDCTMX-INIZCTEOSA-N 1 3 352.910 2.670 20 30 FFEDHO C[C@@H]1C[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC[N@@H+]1C ZINC000741791480 735162604 /nfs/dbraw/zinc/16/26/04/735162604.db2.gz VKMBBMYDKHZMQI-RBSFLKMASA-N 1 3 356.495 2.887 20 30 FFEDHO C[C@@H]1C[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC[N@H+]1C ZINC000741791480 735162606 /nfs/dbraw/zinc/16/26/06/735162606.db2.gz VKMBBMYDKHZMQI-RBSFLKMASA-N 1 3 356.495 2.887 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ccc(C#N)cc1 ZINC001087749926 968891505 /nfs/dbraw/zinc/89/15/05/968891505.db2.gz IBAIAKCLRRAGSA-LEWJYISDSA-N 1 3 368.525 2.759 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001087462790 978129867 /nfs/dbraw/zinc/12/98/67/978129867.db2.gz AJIHXWQMACEPHU-AQNXPRMDSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001087462790 978129870 /nfs/dbraw/zinc/12/98/70/978129870.db2.gz AJIHXWQMACEPHU-AQNXPRMDSA-N 1 3 359.489 2.770 20 30 FFEDHO C[C@H]1CCOCCN1Cc1cc(C#N)cc(CN2CCOCC[C@@H]2C)c1 ZINC000878374268 1015014141 /nfs/dbraw/zinc/01/41/41/1015014141.db2.gz QSLPAZUADILKGW-ROUUACIJSA-N 1 3 357.498 2.780 20 30 FFEDHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000997102742 985127576 /nfs/dbraw/zinc/12/75/76/985127576.db2.gz YABMOPGJZHHULW-CBGDNZLLSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000997102742 985127587 /nfs/dbraw/zinc/12/75/87/985127587.db2.gz YABMOPGJZHHULW-CBGDNZLLSA-N 1 3 368.525 2.615 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3CC)[C@@H]2C)CC1 ZINC001089059960 986141656 /nfs/dbraw/zinc/14/16/56/986141656.db2.gz KUOBNRGJZIJVJP-GCJKJVERSA-N 1 3 367.537 2.673 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3CC)[C@@H]2C)CC1 ZINC001089059960 986141660 /nfs/dbraw/zinc/14/16/60/986141660.db2.gz KUOBNRGJZIJVJP-GCJKJVERSA-N 1 3 367.537 2.673 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3c(C)cccc3C)[C@@H]2C)CC1 ZINC001089060112 986141866 /nfs/dbraw/zinc/14/18/66/986141866.db2.gz ULEZTPBOBMGNTN-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)cccc3C)[C@@H]2C)CC1 ZINC001089060112 986141871 /nfs/dbraw/zinc/14/18/71/986141871.db2.gz ULEZTPBOBMGNTN-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)cc(C)c3)[C@@H]2C)CC1 ZINC001089060143 986143814 /nfs/dbraw/zinc/14/38/14/986143814.db2.gz VPXXLOCSHZXLQT-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)cc(C)c3)[C@@H]2C)CC1 ZINC001089060143 986143821 /nfs/dbraw/zinc/14/38/21/986143821.db2.gz VPXXLOCSHZXLQT-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C#CCN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(C)CC1 ZINC000913941681 987050572 /nfs/dbraw/zinc/05/05/72/987050572.db2.gz XWQUEMNOBPFVKZ-UHFFFAOYSA-N 1 3 368.525 2.521 20 30 FFEDHO COC[C@H]1CCCN1Cc1cc(C#N)cc(C[N@@H+]2CCC[C@@H]2COC)c1 ZINC000879051124 1015340370 /nfs/dbraw/zinc/34/03/70/1015340370.db2.gz NNNOMXPVNUWRDI-NHCUHLMSSA-N 1 3 357.498 2.780 20 30 FFEDHO COC[C@H]1CCCN1Cc1cc(C#N)cc(C[N@H+]2CCC[C@@H]2COC)c1 ZINC000879051124 1015340386 /nfs/dbraw/zinc/34/03/86/1015340386.db2.gz NNNOMXPVNUWRDI-NHCUHLMSSA-N 1 3 357.498 2.780 20 30 FFEDHO CC(C)[C@@H](C(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1)[NH+](C)C ZINC001084964641 998399425 /nfs/dbraw/zinc/39/94/25/998399425.db2.gz JUNWVFZFZPHHQI-HKBOAZHASA-N 1 3 368.525 2.567 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085032959 998733510 /nfs/dbraw/zinc/73/35/10/998733510.db2.gz KOUXMNRZJGGTRE-UWVAXJGDSA-N 1 3 351.510 2.698 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085032959 998733513 /nfs/dbraw/zinc/73/35/13/998733513.db2.gz KOUXMNRZJGGTRE-UWVAXJGDSA-N 1 3 351.510 2.698 20 30 FFEDHO C=CCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC ZINC001201417377 1005211973 /nfs/dbraw/zinc/21/19/73/1005211973.db2.gz WTSQQXIGZUZYSC-RBUKOAKNSA-N 1 3 360.498 2.727 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1OC1CCCC1 ZINC000304665199 1012813427 /nfs/dbraw/zinc/81/34/27/1012813427.db2.gz KQCIHUHJEVXYIE-QGZVFWFLSA-N 1 3 374.529 2.905 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122543324 1023329876 /nfs/dbraw/zinc/32/98/76/1023329876.db2.gz DHOYJLHVKJGUAN-KRWDZBQOSA-N 1 3 360.550 2.630 20 30 FFEDHO CC[NH+](CC)CC[C@@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC001122591477 1023356091 /nfs/dbraw/zinc/35/60/91/1023356091.db2.gz LCEIGNIGKYDBPQ-QHCGNWPDSA-N 1 3 368.525 2.715 20 30 FFEDHO CC[NH+](CC)CC[C@H](NC(=O)C1CC2(C1)CNC[C@H]2C#N)c1ccccc1 ZINC001122591474 1023356621 /nfs/dbraw/zinc/35/66/21/1023356621.db2.gz LCEIGNIGKYDBPQ-FGNUKQJGSA-N 1 3 368.525 2.715 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001121495501 1023810096 /nfs/dbraw/zinc/81/00/96/1023810096.db2.gz JJEHDDLJMJHQSA-SFHVURJKSA-N 1 3 372.561 2.728 20 30 FFEDHO C#CCC[NH+]1CCC(NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000839694402 1026795735 /nfs/dbraw/zinc/79/57/35/1026795735.db2.gz VEOQNEJHWDYECP-UHFFFAOYSA-N 1 3 353.510 2.890 20 30 FFEDHO Cc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C#N)n1 ZINC001159468513 1027400963 /nfs/dbraw/zinc/40/09/63/1027400963.db2.gz YKIXOQIPZAGGBY-UHFFFAOYSA-N 1 3 360.465 2.566 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)N(Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001161429663 1028166955 /nfs/dbraw/zinc/16/69/55/1028166955.db2.gz XZJTXRUSQNGANB-OAQYLSRUSA-N 1 3 362.477 2.729 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218730269 1033307623 /nfs/dbraw/zinc/30/76/23/1033307623.db2.gz UPQKUMZBPLCLNV-VQTJNVASSA-N 1 3 365.562 2.600 20 30 FFEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001218787878 1033338572 /nfs/dbraw/zinc/33/85/72/1033338572.db2.gz LSGNZZHUDCNLAV-LBPRGKRZSA-N 1 3 363.512 2.741 20 30 FFEDHO C#CC[C@H]1CCCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000829799124 1033345190 /nfs/dbraw/zinc/34/51/90/1033345190.db2.gz KLXYHNFFLCQCLH-PMACEKPBSA-N 1 3 367.537 2.891 20 30 FFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001218944295 1033419377 /nfs/dbraw/zinc/41/93/77/1033419377.db2.gz KQRFLXNNSDNZRD-IBGZPJMESA-N 1 3 371.529 2.983 20 30 FFEDHO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219483419 1033664347 /nfs/dbraw/zinc/66/43/47/1033664347.db2.gz WKINMDZHSSIWCU-KRWDZBQOSA-N 1 3 363.965 2.834 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)c(C#N)c3)CC2)CC1 ZINC000831791281 1034286044 /nfs/dbraw/zinc/28/60/44/1034286044.db2.gz WVSDAACUDSLOIC-UHFFFAOYSA-N 1 3 368.525 2.679 20 30 FFEDHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC001226824084 1034853142 /nfs/dbraw/zinc/85/31/42/1034853142.db2.gz KFOSVPKNWJESIH-WOJBJXKFSA-N 1 3 354.498 2.560 20 30 FFEDHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226891879 1034875355 /nfs/dbraw/zinc/87/53/55/1034875355.db2.gz WBTZBIKGWALWQI-BHDDXSALSA-N 1 3 367.537 2.930 20 30 FFEDHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226891879 1034875360 /nfs/dbraw/zinc/87/53/60/1034875360.db2.gz WBTZBIKGWALWQI-BHDDXSALSA-N 1 3 367.537 2.930 20 30 FFEDHO CCC[NH+]1CCC(N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001258774442 1039511207 /nfs/dbraw/zinc/51/12/07/1039511207.db2.gz OEWYWEGNRHLFIW-JOCHJYFZSA-N 1 3 366.509 2.861 20 30 FFEDHO C=CCC[C@H](O)C[NH+]1CCC2(C[C@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001252595867 1039605255 /nfs/dbraw/zinc/60/52/55/1039605255.db2.gz KTEBRWFNUBLXSV-RTWAWAEBSA-N 1 3 373.541 2.712 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213933587 1041087227 /nfs/dbraw/zinc/08/72/27/1041087227.db2.gz ALDJJEMRLBGTOY-AQNXPRMDSA-N 1 3 367.578 2.893 20 30 FFEDHO Cc1ncoc1C[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279358219 1043024964 /nfs/dbraw/zinc/02/49/64/1043024964.db2.gz IOOZIKAFTPMYHY-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO Cc1ncoc1C[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279358219 1043024969 /nfs/dbraw/zinc/02/49/69/1043024969.db2.gz IOOZIKAFTPMYHY-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO CCCCCCCCCCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244193 1043623505 /nfs/dbraw/zinc/62/35/05/1043623505.db2.gz XHKUSSOXRDGXPU-SFHVURJKSA-N 1 3 373.607 2.921 20 30 FFEDHO CCCCCCCCCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238244193 1043623508 /nfs/dbraw/zinc/62/35/08/1043623508.db2.gz XHKUSSOXRDGXPU-SFHVURJKSA-N 1 3 373.607 2.921 20 30 FFEDHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)N3CC(CC#N)C3)CC2)CC1 ZINC001280250210 1044472319 /nfs/dbraw/zinc/47/23/19/1044472319.db2.gz IGDYZSLSUBYCDV-QGZVFWFLSA-N 1 3 360.546 2.581 20 30 FFEDHO C=CCN1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961493 1046309763 /nfs/dbraw/zinc/30/97/63/1046309763.db2.gz RRTRXTNUXVGSQH-RZUBCFFCSA-N 1 3 355.526 2.736 20 30 FFEDHO C=CCN1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961493 1046309779 /nfs/dbraw/zinc/30/97/79/1046309779.db2.gz RRTRXTNUXVGSQH-RZUBCFFCSA-N 1 3 355.526 2.736 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001291641593 1048776352 /nfs/dbraw/zinc/77/63/52/1048776352.db2.gz PMWDQOJZUZICIA-PMACEKPBSA-N 1 3 356.514 2.569 20 30 FFEDHO CC#CCNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001500059836 1058434228 /nfs/dbraw/zinc/43/42/28/1058434228.db2.gz ITTIJQGMDCUEEL-ZPMCFJSWSA-N 1 3 363.505 2.950 20 30 FFEDHO CC#CCNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001500059836 1058434234 /nfs/dbraw/zinc/43/42/34/1058434234.db2.gz ITTIJQGMDCUEEL-ZPMCFJSWSA-N 1 3 363.505 2.950 20 30 FFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)C(C)C ZINC001467660306 1063810702 /nfs/dbraw/zinc/81/07/02/1063810702.db2.gz MVPFEOWUOPGVOS-UYAOXDASSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@H](c1cccs1)N(C)C ZINC001574925149 1078093518 /nfs/dbraw/zinc/09/35/18/1078093518.db2.gz IUVQMUUPZHGOAO-HZPDHXFCSA-N 1 3 374.558 2.732 20 30 FFEDHO CC(C)N(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001575680913 1078163391 /nfs/dbraw/zinc/16/33/91/1078163391.db2.gz DEMWVVADKDKMQK-UXHICEINSA-N 1 3 356.514 2.909 20 30 FFEDHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(C#N)ccc1Br ZINC001560529361 1076278017 /nfs/dbraw/zinc/27/80/17/1076278017.db2.gz BEPPJCVPZKDASH-AWEZNQCLSA-N 1 3 367.335 2.682 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000050031942 507654712 /nfs/dbraw/zinc/65/47/12/507654712.db2.gz ZAXZJAVFRIJSLV-LJQANCHMSA-N 1 3 367.537 2.880 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000050031942 507654718 /nfs/dbraw/zinc/65/47/18/507654718.db2.gz ZAXZJAVFRIJSLV-LJQANCHMSA-N 1 3 367.537 2.880 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000079440371 507962427 /nfs/dbraw/zinc/96/24/27/507962427.db2.gz ZVGDSCOWXLHFRT-WOJBJXKFSA-N 1 3 362.562 2.955 20 30 FFEDHO N#Cc1cccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000076331060 508187941 /nfs/dbraw/zinc/18/79/41/508187941.db2.gz LDYDAJAKVBTRSH-UHFFFAOYSA-N 1 3 362.477 2.674 20 30 FFEDHO COc1ccc(NC(=[NH2+])NCC2CCN(c3ccncc3)CC2)cc1OC ZINC000179738352 509597235 /nfs/dbraw/zinc/59/72/35/509597235.db2.gz CNGSKRYLSBTFIT-UHFFFAOYSA-N 1 3 369.469 2.742 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184747580 510496624 /nfs/dbraw/zinc/49/66/24/510496624.db2.gz JYWDNKGKURQAMI-YVHKJVDXSA-N 1 3 368.525 2.541 20 30 FFEDHO C#CCCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289439119 511101764 /nfs/dbraw/zinc/10/17/64/511101764.db2.gz LQZPCMUNWKUMEU-UHFFFAOYSA-N 1 3 355.526 2.548 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280925221 511655872 /nfs/dbraw/zinc/65/58/72/511655872.db2.gz VKXXJLLNEDVLCW-FUHIMQAGSA-N 1 3 352.482 2.725 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280925221 511655878 /nfs/dbraw/zinc/65/58/78/511655878.db2.gz VKXXJLLNEDVLCW-FUHIMQAGSA-N 1 3 352.482 2.725 20 30 FFEDHO C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000369590696 512499014 /nfs/dbraw/zinc/49/90/14/512499014.db2.gz GTCDQLCOJTXCEY-LJQANCHMSA-N 1 3 371.500 2.642 20 30 FFEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000424139814 514396995 /nfs/dbraw/zinc/39/69/95/514396995.db2.gz FMWPTAGPYWFCKQ-CTNGQTDRSA-N 1 3 354.498 2.522 20 30 FFEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424139814 514396999 /nfs/dbraw/zinc/39/69/99/514396999.db2.gz FMWPTAGPYWFCKQ-CTNGQTDRSA-N 1 3 354.498 2.522 20 30 FFEDHO CCN1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433306352 514452827 /nfs/dbraw/zinc/45/28/27/514452827.db2.gz QSWCLTFGWVPGQG-KRWDZBQOSA-N 1 3 352.486 2.680 20 30 FFEDHO CCN1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433306353 514453159 /nfs/dbraw/zinc/45/31/59/514453159.db2.gz QSWCLTFGWVPGQG-QGZVFWFLSA-N 1 3 352.486 2.680 20 30 FFEDHO C=CCc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc(OC)c1O ZINC000574139343 519006537 /nfs/dbraw/zinc/00/65/37/519006537.db2.gz DJPLSSVIUAQYCZ-OALUTQOASA-N 1 3 360.498 2.848 20 30 FFEDHO C=CCc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc(OC)c1O ZINC000574139344 519007204 /nfs/dbraw/zinc/00/72/04/519007204.db2.gz DJPLSSVIUAQYCZ-RBUKOAKNSA-N 1 3 360.498 2.848 20 30 FFEDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(C#N)cn1 ZINC000578374727 519558803 /nfs/dbraw/zinc/55/88/03/519558803.db2.gz KMCBLSXUTNZFDT-UHFFFAOYSA-N 1 3 355.530 2.581 20 30 FFEDHO N#Cc1ccccc1OC[C@@H](O)CNCc1ccccc1C[NH+]1CCCC1 ZINC000600713448 520414325 /nfs/dbraw/zinc/41/43/25/520414325.db2.gz AGBONNWNXPYNBE-NRFANRHFSA-N 1 3 365.477 2.684 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602594544 521429773 /nfs/dbraw/zinc/42/97/73/521429773.db2.gz YTPBLKAQZPZVPD-PMACEKPBSA-N 1 3 356.514 2.959 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602594544 521429780 /nfs/dbraw/zinc/42/97/80/521429780.db2.gz YTPBLKAQZPZVPD-PMACEKPBSA-N 1 3 356.514 2.959 20 30 FFEDHO C#C[C@@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccc(Br)cc1 ZINC000263062303 729678025 /nfs/dbraw/zinc/67/80/25/729678025.db2.gz FQOXQERWLGEZHX-HZPDHXFCSA-N 1 3 363.303 2.512 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000876716428 732271647 /nfs/dbraw/zinc/27/16/47/732271647.db2.gz XOJOHRVHCVCLLV-IAGOWNOFSA-N 1 3 353.894 2.664 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000876900975 732294567 /nfs/dbraw/zinc/29/45/67/732294567.db2.gz VVANWFZWNMGNRW-QYZOEREBSA-N 1 3 361.917 2.969 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000876900975 732294570 /nfs/dbraw/zinc/29/45/70/732294570.db2.gz VVANWFZWNMGNRW-QYZOEREBSA-N 1 3 361.917 2.969 20 30 FFEDHO CN1CCN(CCCNC(=[NH2+])N2CCCCCC2)[C@@H](c2ccccc2)C1 ZINC000305081349 1013105438 /nfs/dbraw/zinc/10/54/38/1013105438.db2.gz SILNKBCKJHPYRK-HXUWFJFHSA-N 1 3 357.546 2.556 20 30 FFEDHO [NH2+]=C(NC[C@@H]1COc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000262310599 971782358 /nfs/dbraw/zinc/78/23/58/971782358.db2.gz SJHJLACZKFTKFK-GOSISDBHSA-N 1 3 364.493 2.732 20 30 FFEDHO C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753780 970678166 /nfs/dbraw/zinc/67/81/66/970678166.db2.gz SKKQOWPLJBVOFV-AQNXPRMDSA-N 1 3 365.562 2.526 20 30 FFEDHO CC1(C)[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000262514438 974048795 /nfs/dbraw/zinc/04/87/95/974048795.db2.gz FOASRCCZPKUKDL-VAMGGRTRSA-N 1 3 370.541 2.759 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211690666 975371530 /nfs/dbraw/zinc/37/15/30/975371530.db2.gz HIBMGTZERWESNK-BDTNDASRSA-N 1 3 369.553 2.960 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211690779 975374079 /nfs/dbraw/zinc/37/40/79/975374079.db2.gz KZIRPMZRQOIBQJ-PWRODBHTSA-N 1 3 355.526 2.570 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000968867551 1014603476 /nfs/dbraw/zinc/60/34/76/1014603476.db2.gz ZJOOOSMSBJKWJM-DUXKGJEZSA-N 1 3 368.525 2.759 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000968867551 1014603483 /nfs/dbraw/zinc/60/34/83/1014603483.db2.gz ZJOOOSMSBJKWJM-DUXKGJEZSA-N 1 3 368.525 2.759 20 30 FFEDHO CO[C@@H]1C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C12CCC2 ZINC000263152094 980512449 /nfs/dbraw/zinc/51/24/49/980512449.db2.gz POWBFONKGLODSW-RTBURBONSA-N 1 3 356.514 2.513 20 30 FFEDHO [NH2+]=C(NC[C@@H]1CCOC2(CCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000263213979 980558695 /nfs/dbraw/zinc/55/86/95/980558695.db2.gz ZNUISQQYANJSJM-LJQANCHMSA-N 1 3 370.541 2.905 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2cccc(OCC[NH+](CC)CC)c2)CC1 ZINC000907085970 981198116 /nfs/dbraw/zinc/19/81/16/981198116.db2.gz OITOJSAGGYVTTP-UHFFFAOYSA-N 1 3 357.498 2.691 20 30 FFEDHO COc1ccccc1CNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000170913520 985173370 /nfs/dbraw/zinc/17/33/70/985173370.db2.gz JXYVIUIXNMUYBJ-UHFFFAOYSA-N 1 3 352.482 2.548 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(CC)cc3)[C@@H]2C)CC1 ZINC001089059579 986138404 /nfs/dbraw/zinc/13/84/04/986138404.db2.gz RLIKFLRJCRVUDZ-GCJKJVERSA-N 1 3 367.537 2.673 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(CC)cc3)[C@@H]2C)CC1 ZINC001089059579 986138406 /nfs/dbraw/zinc/13/84/06/986138406.db2.gz RLIKFLRJCRVUDZ-GCJKJVERSA-N 1 3 367.537 2.673 20 30 FFEDHO C#CCN(C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000914330319 987444932 /nfs/dbraw/zinc/44/49/32/987444932.db2.gz PTZRXQMLIPXLDV-ICSRJNTNSA-N 1 3 368.525 2.561 20 30 FFEDHO C=CCc1ccc(OC[C@H](O)CN(CC)[C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000923335286 991073501 /nfs/dbraw/zinc/07/35/01/991073501.db2.gz KRZQWCWOZFBNKP-RBUKOAKNSA-N 1 3 362.514 2.627 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085196939 992702294 /nfs/dbraw/zinc/70/22/94/992702294.db2.gz VQBXEPKYTZBPSU-NJDAHSKKSA-N 1 3 368.525 2.948 20 30 FFEDHO C[N@@H+]1CCC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000766991159 1000094453 /nfs/dbraw/zinc/09/44/53/1000094453.db2.gz XDBHGMQRLDNLDB-BFYDXBDKSA-N 1 3 368.506 2.889 20 30 FFEDHO C[N@H+]1CCC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000766991159 1000094455 /nfs/dbraw/zinc/09/44/55/1000094455.db2.gz XDBHGMQRLDNLDB-BFYDXBDKSA-N 1 3 368.506 2.889 20 30 FFEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013316 1002284739 /nfs/dbraw/zinc/28/47/39/1002284739.db2.gz MYIXMQROHFUKDD-UXPWSPDFSA-N 1 3 351.510 2.555 20 30 FFEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013316 1002284750 /nfs/dbraw/zinc/28/47/50/1002284750.db2.gz MYIXMQROHFUKDD-UXPWSPDFSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001186203467 1003222319 /nfs/dbraw/zinc/22/23/19/1003222319.db2.gz MIBWPXNXVRMZKG-UYAOXDASSA-N 1 3 361.505 2.874 20 30 FFEDHO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001186203467 1003222326 /nfs/dbraw/zinc/22/23/26/1003222326.db2.gz MIBWPXNXVRMZKG-UYAOXDASSA-N 1 3 361.505 2.874 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194298489 1004695944 /nfs/dbraw/zinc/69/59/44/1004695944.db2.gz GKHXGAZHEFDNHW-RTBURBONSA-N 1 3 367.578 2.771 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194298489 1004695947 /nfs/dbraw/zinc/69/59/47/1004695947.db2.gz GKHXGAZHEFDNHW-RTBURBONSA-N 1 3 367.578 2.771 20 30 FFEDHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086712262 1005967829 /nfs/dbraw/zinc/96/78/29/1005967829.db2.gz XTJZKFRNVOCCNS-HBMCJLEFSA-N 1 3 368.525 2.807 20 30 FFEDHO CCN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000852861749 1006211591 /nfs/dbraw/zinc/21/15/91/1006211591.db2.gz IIMYUIAHCPUQMM-WIYYLYMNSA-N 1 3 353.510 2.673 20 30 FFEDHO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001189135889 1006920749 /nfs/dbraw/zinc/92/07/49/1006920749.db2.gz QSPLDPMGEQOETE-SQGPQFPESA-N 1 3 351.510 2.698 20 30 FFEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001189135889 1006920759 /nfs/dbraw/zinc/92/07/59/1006920759.db2.gz QSPLDPMGEQOETE-SQGPQFPESA-N 1 3 351.510 2.698 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)CC1 ZINC000817413727 1007592265 /nfs/dbraw/zinc/59/22/65/1007592265.db2.gz BZXRQCWFPQYELT-IBGZPJMESA-N 1 3 370.541 2.969 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)CC1 ZINC000817413727 1007592274 /nfs/dbraw/zinc/59/22/74/1007592274.db2.gz BZXRQCWFPQYELT-IBGZPJMESA-N 1 3 370.541 2.969 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001093222778 1010165038 /nfs/dbraw/zinc/16/50/38/1010165038.db2.gz OUJHWJVJGBPHOA-DENIHFKCSA-N 1 3 367.537 2.524 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C)CC1 ZINC001093222778 1010165045 /nfs/dbraw/zinc/16/50/45/1010165045.db2.gz OUJHWJVJGBPHOA-DENIHFKCSA-N 1 3 367.537 2.524 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001093224189 1010166871 /nfs/dbraw/zinc/16/68/71/1010166871.db2.gz NEJPYPWARDVAMX-WIYYLYMNSA-N 1 3 359.558 2.596 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001093224189 1010166892 /nfs/dbraw/zinc/16/68/92/1010166892.db2.gz NEJPYPWARDVAMX-WIYYLYMNSA-N 1 3 359.558 2.596 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226218 1010170754 /nfs/dbraw/zinc/17/07/54/1010170754.db2.gz YQTUGLFEFGICBJ-FCEUIQTBSA-N 1 3 367.537 2.597 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226218 1010170764 /nfs/dbraw/zinc/17/07/64/1010170764.db2.gz YQTUGLFEFGICBJ-FCEUIQTBSA-N 1 3 367.537 2.597 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC1 ZINC001110146927 1010343932 /nfs/dbraw/zinc/34/39/32/1010343932.db2.gz BPKUOXPEGWMNDG-AABGKKOBSA-N 1 3 359.558 2.879 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC1 ZINC001110146927 1010343944 /nfs/dbraw/zinc/34/39/44/1010343944.db2.gz BPKUOXPEGWMNDG-AABGKKOBSA-N 1 3 359.558 2.879 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001274759815 1011635884 /nfs/dbraw/zinc/63/58/84/1011635884.db2.gz GPJZMSOCWWUMGT-AYOQOUSVSA-N 1 3 361.917 2.516 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001274759815 1011635893 /nfs/dbraw/zinc/63/58/93/1011635893.db2.gz GPJZMSOCWWUMGT-AYOQOUSVSA-N 1 3 361.917 2.516 20 30 FFEDHO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000303983299 1012551648 /nfs/dbraw/zinc/55/16/48/1012551648.db2.gz RAJJLFOPSDTCOV-VQIMIIECSA-N 1 3 373.545 2.869 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099263417 1022186001 /nfs/dbraw/zinc/18/60/01/1022186001.db2.gz RVASTYWLLKQYNV-BZUAXINKSA-N 1 3 361.452 2.804 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099263417 1022186020 /nfs/dbraw/zinc/18/60/20/1022186020.db2.gz RVASTYWLLKQYNV-BZUAXINKSA-N 1 3 361.452 2.804 20 30 FFEDHO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218542777 1033209901 /nfs/dbraw/zinc/20/99/01/1033209901.db2.gz WZLFHBWWARLWSJ-KRWDZBQOSA-N 1 3 358.442 2.691 20 30 FFEDHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103156777 1027011480 /nfs/dbraw/zinc/01/14/80/1027011480.db2.gz VWKBNWRIXKDARR-YLJYHZDGSA-N 1 3 370.541 2.863 20 30 FFEDHO CCN(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001103156777 1027011485 /nfs/dbraw/zinc/01/14/85/1027011485.db2.gz VWKBNWRIXKDARR-YLJYHZDGSA-N 1 3 370.541 2.863 20 30 FFEDHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)N(C)C ZINC001103407668 1027417313 /nfs/dbraw/zinc/41/73/13/1027417313.db2.gz OJMLPWYMQIJUBQ-DUXKGJEZSA-N 1 3 370.541 2.719 20 30 FFEDHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)N(C)C ZINC001103407668 1027417322 /nfs/dbraw/zinc/41/73/22/1027417322.db2.gz OJMLPWYMQIJUBQ-DUXKGJEZSA-N 1 3 370.541 2.719 20 30 FFEDHO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495879 1027604640 /nfs/dbraw/zinc/60/46/40/1027604640.db2.gz XESGXRSMUYCDPP-AQNXPRMDSA-N 1 3 365.562 2.526 20 30 FFEDHO C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495879 1027604653 /nfs/dbraw/zinc/60/46/53/1027604653.db2.gz XESGXRSMUYCDPP-AQNXPRMDSA-N 1 3 365.562 2.526 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cccc(F)c1 ZINC001205439999 1031747436 /nfs/dbraw/zinc/74/74/36/1031747436.db2.gz VFPNMCAVAPLMSC-RBUKOAKNSA-N 1 3 356.445 2.642 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1ccccc1F ZINC001205686059 1031936612 /nfs/dbraw/zinc/93/66/12/1031936612.db2.gz PVTDSLHFSPOUPE-CEWLAPEOSA-N 1 3 371.500 2.607 20 30 FFEDHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)[NH+](C)C ZINC001228445610 1036119380 /nfs/dbraw/zinc/11/93/80/1036119380.db2.gz STHWBBPTMIFLTF-NJDAHSKKSA-N 1 3 355.526 2.641 20 30 FFEDHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(C#N)c(Cl)c3)CC2)C1=O ZINC001277597143 1038092316 /nfs/dbraw/zinc/09/23/16/1038092316.db2.gz YHKNWPIBEQEHRS-UHFFFAOYSA-N 1 3 374.916 2.588 20 30 FFEDHO C=CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001252494828 1039559794 /nfs/dbraw/zinc/55/97/94/1039559794.db2.gz FYEVTWPXXQSNFB-IBGZPJMESA-N 1 3 352.906 2.705 20 30 FFEDHO CCOC(C)(C)C[NH+]1CCC2(CCN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001278211534 1043635161 /nfs/dbraw/zinc/63/51/61/1043635161.db2.gz PLXZYVSANXSXOK-UHFFFAOYSA-N 1 3 358.530 3.000 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001357158994 1055798651 /nfs/dbraw/zinc/79/86/51/1055798651.db2.gz GJANEAGUHSUZQN-SFHVURJKSA-N 1 3 374.577 2.974 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001357158994 1055798654 /nfs/dbraw/zinc/79/86/54/1055798654.db2.gz GJANEAGUHSUZQN-SFHVURJKSA-N 1 3 374.577 2.974 20 30 FFEDHO N#Cc1ccc(OC[C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048563503 507537252 /nfs/dbraw/zinc/53/72/52/507537252.db2.gz DUEIVCSXWLYAHN-OAQYLSRUSA-N 1 3 371.525 2.886 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000105294118 508369311 /nfs/dbraw/zinc/36/93/11/508369311.db2.gz VHUODODDRLUMMB-UHFFFAOYSA-N 1 3 371.529 2.506 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105294118 508369313 /nfs/dbraw/zinc/36/93/13/508369313.db2.gz VHUODODDRLUMMB-UHFFFAOYSA-N 1 3 371.529 2.506 20 30 FFEDHO N#CC1(c2ccccc2)CC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000128088768 508545546 /nfs/dbraw/zinc/54/55/46/508545546.db2.gz BQTLLBMFNPELQV-QSRFUDQGSA-N 1 3 353.510 2.968 20 30 FFEDHO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264121470 509339042 /nfs/dbraw/zinc/33/90/42/509339042.db2.gz CTAIFEHAJDKSNS-UHFFFAOYSA-N 1 3 356.514 2.980 20 30 FFEDHO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000185886229 509407546 /nfs/dbraw/zinc/40/75/46/509407546.db2.gz FSVQESUOXJMTRK-ICSRJNTNSA-N 1 3 354.498 2.684 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267350102 509460830 /nfs/dbraw/zinc/46/08/30/509460830.db2.gz PFPJIROLIXJHIW-WIYYLYMNSA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267350102 509460836 /nfs/dbraw/zinc/46/08/36/509460836.db2.gz PFPJIROLIXJHIW-WIYYLYMNSA-N 1 3 370.541 2.847 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194148114 510238485 /nfs/dbraw/zinc/23/84/85/510238485.db2.gz VFTPDCHHCJDXQU-FQEVSTJZSA-N 1 3 370.541 2.848 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194148114 510238493 /nfs/dbraw/zinc/23/84/93/510238493.db2.gz VFTPDCHHCJDXQU-FQEVSTJZSA-N 1 3 370.541 2.848 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000246274307 510398931 /nfs/dbraw/zinc/39/89/31/510398931.db2.gz JGCHFXKCCZVBDM-GUDVDZBRSA-N 1 3 350.551 2.667 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000246274307 510398936 /nfs/dbraw/zinc/39/89/36/510398936.db2.gz JGCHFXKCCZVBDM-GUDVDZBRSA-N 1 3 350.551 2.667 20 30 FFEDHO [NH2+]=C(NCc1ccccc1CN1CCC(O)CC1)Nc1cc(F)ccc1F ZINC000288648331 511082678 /nfs/dbraw/zinc/08/26/78/511082678.db2.gz DRGRAEZZRZXAKG-UHFFFAOYSA-N 1 3 374.435 2.848 20 30 FFEDHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000271910645 511367351 /nfs/dbraw/zinc/36/73/51/511367351.db2.gz AMRHLMMDULRUGF-OAHLLOKOSA-N 1 3 368.456 2.840 20 30 FFEDHO CCc1cccc(NC(=[NH2+])NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000272876090 511510328 /nfs/dbraw/zinc/51/03/28/511510328.db2.gz HALXHDGROPVPDW-HXUWFJFHSA-N 1 3 352.482 2.742 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280925236 511655515 /nfs/dbraw/zinc/65/55/15/511655515.db2.gz VKXXJLLNEDVLCW-QKLQHJQFSA-N 1 3 352.482 2.725 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280925236 511655523 /nfs/dbraw/zinc/65/55/23/511655523.db2.gz VKXXJLLNEDVLCW-QKLQHJQFSA-N 1 3 352.482 2.725 20 30 FFEDHO COc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1C#N ZINC000281754822 511954720 /nfs/dbraw/zinc/95/47/20/511954720.db2.gz RFKBCPFBHINJRM-OAQYLSRUSA-N 1 3 365.477 2.813 20 30 FFEDHO COc1cc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1C#N ZINC000281754822 511954727 /nfs/dbraw/zinc/95/47/27/511954727.db2.gz RFKBCPFBHINJRM-OAQYLSRUSA-N 1 3 365.477 2.813 20 30 FFEDHO C[C@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000329715683 512089448 /nfs/dbraw/zinc/08/94/48/512089448.db2.gz VHSSBAIVKZSEDA-SWLSCSKDSA-N 1 3 363.408 2.925 20 30 FFEDHO C[C@H](NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1=CC[N@@H+](C)CC1 ZINC000329715683 512089454 /nfs/dbraw/zinc/08/94/54/512089454.db2.gz VHSSBAIVKZSEDA-SWLSCSKDSA-N 1 3 363.408 2.925 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)C(C)C ZINC000417074288 514155095 /nfs/dbraw/zinc/15/50/95/514155095.db2.gz ZABUFZKYKZYTQP-WOJBJXKFSA-N 1 3 362.562 2.859 20 30 FFEDHO C=CCN1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000521595442 517790013 /nfs/dbraw/zinc/79/00/13/517790013.db2.gz KEWXFKILSXGRDL-QZTJIDSGSA-N 1 3 350.551 2.694 20 30 FFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000576976677 518857822 /nfs/dbraw/zinc/85/78/22/518857822.db2.gz JIHFZFRVZNARLE-ROUUACIJSA-N 1 3 366.431 2.751 20 30 FFEDHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594440495 519966476 /nfs/dbraw/zinc/96/64/76/519966476.db2.gz DKVWUUJYOCBAGJ-HXUWFJFHSA-N 1 3 356.514 2.946 20 30 FFEDHO N#Cc1ccccc1OC[C@@H](O)CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000600713599 520414632 /nfs/dbraw/zinc/41/46/32/520414632.db2.gz CRMJOEHRCJMBJS-NRFANRHFSA-N 1 3 365.477 2.684 20 30 FFEDHO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000596090397 520905500 /nfs/dbraw/zinc/90/55/00/520905500.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 1 3 366.513 2.559 20 30 FFEDHO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000596090397 520905511 /nfs/dbraw/zinc/90/55/11/520905511.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 1 3 366.513 2.559 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000594303388 521548465 /nfs/dbraw/zinc/54/84/65/521548465.db2.gz AYHXQAALLJPHCU-QGZVFWFLSA-N 1 3 368.525 2.932 20 30 FFEDHO N#Cc1ccsc1NC(=O)CCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847220 521568260 /nfs/dbraw/zinc/56/82/60/521568260.db2.gz UVGQASBOEGNMIZ-UHFFFAOYSA-N 1 3 355.467 2.556 20 30 FFEDHO C=C(C)C[NH+]1CCC(NCc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631065356 523349149 /nfs/dbraw/zinc/34/91/49/523349149.db2.gz TYRUZWVNPZTJGV-UHFFFAOYSA-N 1 3 373.541 2.528 20 30 FFEDHO CCOc1c(Cl)cc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1OC ZINC000303895957 729735437 /nfs/dbraw/zinc/73/54/37/729735437.db2.gz UCBWRRTYNFJONE-AWEZNQCLSA-N 1 3 368.909 2.636 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000876897687 732294226 /nfs/dbraw/zinc/29/42/26/732294226.db2.gz LYPMATGBUPMHOB-KRWDZBQOSA-N 1 3 350.894 2.625 20 30 FFEDHO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660573067 972257386 /nfs/dbraw/zinc/25/73/86/972257386.db2.gz GAQVMKGWSQRKHH-YLJYHZDGSA-N 1 3 362.562 2.979 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001023371771 967754167 /nfs/dbraw/zinc/75/41/67/967754167.db2.gz FBKZGCWIKFXJJL-QHAWAJNXSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001023371771 967754172 /nfs/dbraw/zinc/75/41/72/967754172.db2.gz FBKZGCWIKFXJJL-QHAWAJNXSA-N 1 3 368.525 2.617 20 30 FFEDHO CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676595 974991746 /nfs/dbraw/zinc/99/17/46/974991746.db2.gz OFMXVGLUHHNEGL-VQTJNVASSA-N 1 3 355.526 2.572 20 30 FFEDHO C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029920212 979817179 /nfs/dbraw/zinc/81/71/79/979817179.db2.gz QSSPGJDGEJTXOW-CEMLEFRQSA-N 1 3 367.537 2.843 20 30 FFEDHO C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029920212 979817186 /nfs/dbraw/zinc/81/71/86/979817186.db2.gz QSSPGJDGEJTXOW-CEMLEFRQSA-N 1 3 367.537 2.843 20 30 FFEDHO CN1CCN(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000877747642 1014708714 /nfs/dbraw/zinc/70/87/14/1014708714.db2.gz VTYWDVDSJFFYLB-UHFFFAOYSA-N 1 3 356.514 2.581 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403817 986152111 /nfs/dbraw/zinc/15/21/11/986152111.db2.gz WQBPZLCTQAQVDS-XUVXKRRUSA-N 1 3 365.562 2.811 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403817 986152119 /nfs/dbraw/zinc/15/21/19/986152119.db2.gz WQBPZLCTQAQVDS-XUVXKRRUSA-N 1 3 365.562 2.811 20 30 FFEDHO C#CCN(C(=O)NCCCCCCC[NH+]1CCCC1)C1CCN(C)CC1 ZINC000921291236 991030991 /nfs/dbraw/zinc/03/09/91/991030991.db2.gz HOLGJPXDCVTOBR-UHFFFAOYSA-N 1 3 362.562 2.772 20 30 FFEDHO C=CCc1ccc(OC[C@@H](O)CN(CC)[C@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000923335284 991074165 /nfs/dbraw/zinc/07/41/65/991074165.db2.gz KRZQWCWOZFBNKP-OALUTQOASA-N 1 3 362.514 2.627 20 30 FFEDHO CC#CCN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050524 992275603 /nfs/dbraw/zinc/27/56/03/992275603.db2.gz WTJYIOYZMBKPJG-QHAWAJNXSA-N 1 3 367.537 2.572 20 30 FFEDHO CC#CCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050524 992275614 /nfs/dbraw/zinc/27/56/14/992275614.db2.gz WTJYIOYZMBKPJG-QHAWAJNXSA-N 1 3 367.537 2.572 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1c1ccccc1 ZINC001081137565 993693331 /nfs/dbraw/zinc/69/33/31/993693331.db2.gz DJBMNMMFPQOQSL-LEWJYISDSA-N 1 3 367.537 2.857 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1c1ccccc1 ZINC001081137565 993693333 /nfs/dbraw/zinc/69/33/33/993693333.db2.gz DJBMNMMFPQOQSL-LEWJYISDSA-N 1 3 367.537 2.857 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090874793 997529682 /nfs/dbraw/zinc/52/96/82/997529682.db2.gz RIWUVEGWFFYTHH-LEWJYISDSA-N 1 3 371.525 2.640 20 30 FFEDHO C=CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000734662645 999313359 /nfs/dbraw/zinc/31/33/59/999313359.db2.gz CIUIQXQGPRFIAJ-FQEVSTJZSA-N 1 3 371.529 2.557 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)(C)C2)CC1 ZINC001085432741 999518010 /nfs/dbraw/zinc/51/80/10/999518010.db2.gz NXNYFFMOPREPQP-WOJBJXKFSA-N 1 3 359.558 2.785 20 30 FFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086484585 999942216 /nfs/dbraw/zinc/94/22/16/999942216.db2.gz FHTQEIPRDZENNS-OWYHZJEWSA-N 1 3 361.917 2.569 20 30 FFEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086484585 999942219 /nfs/dbraw/zinc/94/22/19/999942219.db2.gz FHTQEIPRDZENNS-OWYHZJEWSA-N 1 3 361.917 2.569 20 30 FFEDHO CN(C)/C=N/c1ccc(NCc2ccccc2N2CC[NH2+]CC2)cc1C#N ZINC001171283347 1000738118 /nfs/dbraw/zinc/73/81/18/1000738118.db2.gz CCCJEXVFUBWMSS-PCLIKHOPSA-N 1 3 362.481 2.801 20 30 FFEDHO C[N@@H+]1CCC[C@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000815145680 1006531842 /nfs/dbraw/zinc/53/18/42/1006531842.db2.gz BRQYUEPXQDLLBX-YWZLYKJASA-N 1 3 368.506 2.890 20 30 FFEDHO C[N@H+]1CCC[C@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000815145680 1006531852 /nfs/dbraw/zinc/53/18/52/1006531852.db2.gz BRQYUEPXQDLLBX-YWZLYKJASA-N 1 3 368.506 2.890 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000817286661 1007510709 /nfs/dbraw/zinc/51/07/09/1007510709.db2.gz XEEPHWDYQIYXAL-UHFFFAOYSA-N 1 3 356.514 2.581 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000817286661 1007510715 /nfs/dbraw/zinc/51/07/15/1007510715.db2.gz XEEPHWDYQIYXAL-UHFFFAOYSA-N 1 3 356.514 2.581 20 30 FFEDHO C=CCCCCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275337112 1012326393 /nfs/dbraw/zinc/32/63/93/1012326393.db2.gz NQIANBLEFNGOLD-NRFANRHFSA-N 1 3 365.562 2.626 20 30 FFEDHO C=CCCCCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275337112 1012326409 /nfs/dbraw/zinc/32/64/09/1012326409.db2.gz NQIANBLEFNGOLD-NRFANRHFSA-N 1 3 365.562 2.626 20 30 FFEDHO C=C(CC[NH+](C)C)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000901156363 1018776216 /nfs/dbraw/zinc/77/62/16/1018776216.db2.gz WQKOZEQHTSVQOP-LJQANCHMSA-N 1 3 367.497 2.777 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC001120504260 1023343298 /nfs/dbraw/zinc/34/32/98/1023343298.db2.gz JSHBBYAJLZMKOP-SFHVURJKSA-N 1 3 362.562 2.838 20 30 FFEDHO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102214709 1025596368 /nfs/dbraw/zinc/59/63/68/1025596368.db2.gz AVYPRGOPZFJIFU-TZIWHRDSSA-N 1 3 367.537 2.597 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174151 1027031748 /nfs/dbraw/zinc/03/17/48/1027031748.db2.gz BSBVZANCAGAMNH-NXHRZFHOSA-N 1 3 355.954 2.934 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174151 1027031754 /nfs/dbraw/zinc/03/17/54/1027031754.db2.gz BSBVZANCAGAMNH-NXHRZFHOSA-N 1 3 355.954 2.934 20 30 FFEDHO CN1CCN(Cc2cccc(Nc3sc4c(c3C#N)CC[NH2+]C4)c2)CC1 ZINC001159160036 1027290519 /nfs/dbraw/zinc/29/05/19/1027290519.db2.gz WHIPEXTYISDBKS-UHFFFAOYSA-N 1 3 367.522 2.756 20 30 FFEDHO N#Cc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C#N)c1 ZINC001159460108 1027398875 /nfs/dbraw/zinc/39/88/75/1027398875.db2.gz PHEVUSHYLALGAR-UHFFFAOYSA-N 1 3 370.460 2.734 20 30 FFEDHO C#CC[C@]1(C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)CCC[NH2+]1 ZINC001160956544 1027947066 /nfs/dbraw/zinc/94/70/66/1027947066.db2.gz KGTQTULGIFQZHG-RCZSKKKRSA-N 1 3 353.510 2.501 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC/C=C/CC)C3)CC1 ZINC001112004174 1029852436 /nfs/dbraw/zinc/85/24/36/1029852436.db2.gz ODFIILPTTOBCLN-MTADBNSWSA-N 1 3 357.542 2.659 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC/C=C/CC)C3)CC1 ZINC001112004174 1029852440 /nfs/dbraw/zinc/85/24/40/1029852440.db2.gz ODFIILPTTOBCLN-MTADBNSWSA-N 1 3 357.542 2.659 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001112208643 1030245749 /nfs/dbraw/zinc/24/57/49/1030245749.db2.gz XJYMBEJEOXQWMI-HZPDHXFCSA-N 1 3 361.452 2.808 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205415322 1031727302 /nfs/dbraw/zinc/72/73/02/1031727302.db2.gz OIHXAVJIAYJTCM-PCCBWWKXSA-N 1 3 371.500 2.607 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205415322 1031727321 /nfs/dbraw/zinc/72/73/21/1031727321.db2.gz OIHXAVJIAYJTCM-PCCBWWKXSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1cccc(F)c1 ZINC001205415449 1031727458 /nfs/dbraw/zinc/72/74/58/1031727458.db2.gz VJSMGRWCFABIIP-RBUKOAKNSA-N 1 3 359.489 2.770 20 30 FFEDHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccccc2)CCC1 ZINC001226783468 1034839281 /nfs/dbraw/zinc/83/92/81/1034839281.db2.gz ZQILBBBRTRQJCM-WOJBJXKFSA-N 1 3 353.510 2.539 20 30 FFEDHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3CC#N)C2)C1 ZINC001235513390 1037597608 /nfs/dbraw/zinc/59/76/08/1037597608.db2.gz IHHUYESOHSHINQ-FGZHOGPDSA-N 1 3 353.510 2.933 20 30 FFEDHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3CC#N)C2)C1 ZINC001235513390 1037597616 /nfs/dbraw/zinc/59/76/16/1037597616.db2.gz IHHUYESOHSHINQ-FGZHOGPDSA-N 1 3 353.510 2.933 20 30 FFEDHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@H]2CC1 ZINC001278871548 1038011488 /nfs/dbraw/zinc/01/14/88/1038011488.db2.gz PDFUOIARQKGHFD-HDICACEKSA-N 1 3 360.933 2.917 20 30 FFEDHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@H]2CC1 ZINC001278871548 1038011507 /nfs/dbraw/zinc/01/15/07/1038011507.db2.gz PDFUOIARQKGHFD-HDICACEKSA-N 1 3 360.933 2.917 20 30 FFEDHO C=CCn1cc2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc2n1 ZINC001209590146 1039028321 /nfs/dbraw/zinc/02/83/21/1039028321.db2.gz GYQVIJFGVXQGCR-INIZCTEOSA-N 1 3 372.517 2.616 20 30 FFEDHO C=CCn1cc2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc2n1 ZINC001209590146 1039028339 /nfs/dbraw/zinc/02/83/39/1039028339.db2.gz GYQVIJFGVXQGCR-INIZCTEOSA-N 1 3 372.517 2.616 20 30 FFEDHO N#Cc1cccc(OCC[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001254053762 1040555308 /nfs/dbraw/zinc/55/53/08/1040555308.db2.gz WKKBGCMHQVRTNK-UHFFFAOYSA-N 1 3 365.477 2.554 20 30 FFEDHO Cn1cccc1C[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001278519316 1040877647 /nfs/dbraw/zinc/87/76/47/1040877647.db2.gz XGQWISGUTKBCMP-KDURUIRLSA-N 1 3 351.498 2.579 20 30 FFEDHO Cn1cccc1C[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001278519316 1040877656 /nfs/dbraw/zinc/87/76/56/1040877656.db2.gz XGQWISGUTKBCMP-KDURUIRLSA-N 1 3 351.498 2.579 20 30 FFEDHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001263903044 1042521745 /nfs/dbraw/zinc/52/17/45/1042521745.db2.gz FZMAEYGUHAXSCR-BDTNDASRSA-N 1 3 367.537 2.787 20 30 FFEDHO Cc1n[nH]cc1C[NH2+][C@@]12CC[C@@](NCc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001279287397 1042984654 /nfs/dbraw/zinc/98/46/54/1042984654.db2.gz VKPXVFSMQZAYIG-UXHICEINSA-N 1 3 352.486 2.653 20 30 FFEDHO Cn1cc(C[N@H+]2CC[C@H]3CN(Cc4nccs4)C[C@H]3CC2)cc1C#N ZINC001279348250 1043017971 /nfs/dbraw/zinc/01/79/71/1043017971.db2.gz PRNKKBJYWWUUCC-CALCHBBNSA-N 1 3 355.511 2.697 20 30 FFEDHO Cn1cc(C[N@@H+]2CC[C@H]3CN(Cc4nccs4)C[C@H]3CC2)cc1C#N ZINC001279348250 1043017974 /nfs/dbraw/zinc/01/79/74/1043017974.db2.gz PRNKKBJYWWUUCC-CALCHBBNSA-N 1 3 355.511 2.697 20 30 FFEDHO C=CCc1cccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1[O-] ZINC001279605215 1043330594 /nfs/dbraw/zinc/33/05/94/1043330594.db2.gz ZAABTGDFYOTMCQ-QFIPXVFZSA-N 1 3 357.542 2.970 20 30 FFEDHO C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1[O-] ZINC001279605215 1043330600 /nfs/dbraw/zinc/33/06/00/1043330600.db2.gz ZAABTGDFYOTMCQ-QFIPXVFZSA-N 1 3 357.542 2.970 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC2(CNCC#Cc3ccccc3)CCCCC2)CC[N@@H+]1C ZINC001329826233 1048928111 /nfs/dbraw/zinc/92/81/11/1048928111.db2.gz XJXCETDBMBAAQS-TZIWHRDSSA-N 1 3 367.537 2.787 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC2(CNCC#Cc3ccccc3)CCCCC2)CC[N@H+]1C ZINC001329826233 1048928119 /nfs/dbraw/zinc/92/81/19/1048928119.db2.gz XJXCETDBMBAAQS-TZIWHRDSSA-N 1 3 367.537 2.787 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001339719744 1050151609 /nfs/dbraw/zinc/15/16/09/1050151609.db2.gz NBPXKEKIZMSBAZ-QGZVFWFLSA-N 1 3 360.550 2.584 20 30 FFEDHO N#Cc1c(F)cc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1F ZINC001357166033 1055802198 /nfs/dbraw/zinc/80/21/98/1055802198.db2.gz KAAMDCPBEJIHLT-HXUWFJFHSA-N 1 3 357.404 2.563 20 30 FFEDHO CCCN(C(=O)C#CC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC001358448160 1056316473 /nfs/dbraw/zinc/31/64/73/1056316473.db2.gz VHKUZCTYBQEDED-UHFFFAOYSA-N 1 3 367.537 2.893 20 30 FFEDHO CCCN(C(=O)NCC#CCN(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001479623901 1062636143 /nfs/dbraw/zinc/63/61/43/1062636143.db2.gz UFKXNEUAEXTYAP-OAQYLSRUSA-N 1 3 370.541 2.638 20 30 FFEDHO CCCN(C(=O)NCC#CCN(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001479623901 1062636153 /nfs/dbraw/zinc/63/61/53/1062636153.db2.gz UFKXNEUAEXTYAP-OAQYLSRUSA-N 1 3 370.541 2.638 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000066921743 506695631 /nfs/dbraw/zinc/69/56/31/506695631.db2.gz ZWSSVNKRCIFEIF-UHFFFAOYSA-N 1 3 353.510 2.999 20 30 FFEDHO C[C@H]1CN(CCC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000156657950 508457242 /nfs/dbraw/zinc/45/72/42/508457242.db2.gz NRDQDYSBWXNFAW-SPEDKVCISA-N 1 3 371.525 2.803 20 30 FFEDHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000267891129 509656765 /nfs/dbraw/zinc/65/67/65/509656765.db2.gz SAVNOGZBKFPWCJ-FQEVSTJZSA-N 1 3 369.513 2.910 20 30 FFEDHO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184743308 510494999 /nfs/dbraw/zinc/49/49/99/510494999.db2.gz NMWGPSDFZDRMAW-HMFYCAOWSA-N 1 3 370.541 2.787 20 30 FFEDHO CCc1cccc(NC(=[NH2+])NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000272876082 511510987 /nfs/dbraw/zinc/51/09/87/511510987.db2.gz HALXHDGROPVPDW-FQEVSTJZSA-N 1 3 352.482 2.742 20 30 FFEDHO Cc1ccc([C@H](C)[C@@H](O)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000329029825 511970960 /nfs/dbraw/zinc/97/09/60/511970960.db2.gz PGDUUEGENMYMET-LAUBAEHRSA-N 1 3 373.541 2.975 20 30 FFEDHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000329732893 512092574 /nfs/dbraw/zinc/09/25/74/512092574.db2.gz JEQMUZNNEDWEGQ-IRXDYDNUSA-N 1 3 359.518 2.625 20 30 FFEDHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000329732893 512092576 /nfs/dbraw/zinc/09/25/76/512092576.db2.gz JEQMUZNNEDWEGQ-IRXDYDNUSA-N 1 3 359.518 2.625 20 30 FFEDHO C#CCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370706067 513063567 /nfs/dbraw/zinc/06/35/67/513063567.db2.gz AEZSOAXYTIPGHT-KNQAVFIVSA-N 1 3 355.526 2.547 20 30 FFEDHO C#CCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370706067 513063571 /nfs/dbraw/zinc/06/35/71/513063571.db2.gz AEZSOAXYTIPGHT-KNQAVFIVSA-N 1 3 355.526 2.547 20 30 FFEDHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000415902361 513469372 /nfs/dbraw/zinc/46/93/72/513469372.db2.gz OQBQLVSRRVJFRZ-UHFFFAOYSA-N 1 3 365.481 2.873 20 30 FFEDHO C[N@H+](CCOc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1)C1CCOCC1 ZINC000442778155 513778181 /nfs/dbraw/zinc/77/81/81/513778181.db2.gz KBODDLZMCYOKGO-MJGOQNOKSA-N 1 3 357.498 2.958 20 30 FFEDHO C[N@@H+](CCOc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1)C1CCOCC1 ZINC000442778155 513778185 /nfs/dbraw/zinc/77/81/85/513778185.db2.gz KBODDLZMCYOKGO-MJGOQNOKSA-N 1 3 357.498 2.958 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)C(C)C ZINC000420894696 514359897 /nfs/dbraw/zinc/35/98/97/514359897.db2.gz GQNPDSNDWLCHBM-CTWPCTMYSA-N 1 3 350.551 2.857 20 30 FFEDHO C=CCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000415118977 514451985 /nfs/dbraw/zinc/45/19/85/514451985.db2.gz DXAUJUMOKULIFC-QUCCMNQESA-N 1 3 360.498 2.978 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C#N)C3CCCCC3)CC2)CC1 ZINC000518997464 516849264 /nfs/dbraw/zinc/84/92/64/516849264.db2.gz XSJGNASHMCVRMD-FQEVSTJZSA-N 1 3 360.546 2.771 20 30 FFEDHO CN1CCC(O)(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000538416710 517610971 /nfs/dbraw/zinc/61/09/71/517610971.db2.gz DPQJXNOZZVXEPF-UHFFFAOYSA-N 1 3 365.477 2.684 20 30 FFEDHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436707 519963764 /nfs/dbraw/zinc/96/37/64/519963764.db2.gz FTUAWGKMPSUCOZ-QGZVFWFLSA-N 1 3 360.527 2.894 20 30 FFEDHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000600716868 520418041 /nfs/dbraw/zinc/41/80/41/520418041.db2.gz MWAXTVONPXRWCV-HXUWFJFHSA-N 1 3 359.514 2.689 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000592507290 520427029 /nfs/dbraw/zinc/42/70/29/520427029.db2.gz RYRBFKZSEQCQJX-FXAWDEMLSA-N 1 3 356.514 2.772 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000592507290 520427034 /nfs/dbraw/zinc/42/70/34/520427034.db2.gz RYRBFKZSEQCQJX-FXAWDEMLSA-N 1 3 356.514 2.772 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602594548 521429486 /nfs/dbraw/zinc/42/94/86/521429486.db2.gz YTPBLKAQZPZVPD-VQTJNVASSA-N 1 3 356.514 2.959 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602594548 521429490 /nfs/dbraw/zinc/42/94/90/521429490.db2.gz YTPBLKAQZPZVPD-VQTJNVASSA-N 1 3 356.514 2.959 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000602596958 521430620 /nfs/dbraw/zinc/43/06/20/521430620.db2.gz OMQBSCRJCMFZLK-NQIIRXRSSA-N 1 3 371.525 2.832 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000602596958 521430624 /nfs/dbraw/zinc/43/06/24/521430624.db2.gz OMQBSCRJCMFZLK-NQIIRXRSSA-N 1 3 371.525 2.832 20 30 FFEDHO N#CC1CCC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000602692483 521480693 /nfs/dbraw/zinc/48/06/93/521480693.db2.gz IOGOSPILGMXCQB-UHFFFAOYSA-N 1 3 354.498 2.556 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1C(F)(F)F ZINC000303990065 729736495 /nfs/dbraw/zinc/73/64/95/729736495.db2.gz YCWVWHQNSUHDAC-ZDUSSCGKSA-N 1 3 358.408 2.603 20 30 FFEDHO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000832778104 745753743 /nfs/dbraw/zinc/75/37/43/745753743.db2.gz IBIIRHJKMVRPLK-GJZGRUSLSA-N 1 3 356.495 2.887 20 30 FFEDHO CC(C)[N@H+]1CC[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000832778104 745753748 /nfs/dbraw/zinc/75/37/48/745753748.db2.gz IBIIRHJKMVRPLK-GJZGRUSLSA-N 1 3 356.495 2.887 20 30 FFEDHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001105064482 971437637 /nfs/dbraw/zinc/43/76/37/971437637.db2.gz QSNFOJIMJMCIRY-HZPDHXFCSA-N 1 3 362.543 2.534 20 30 FFEDHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087212772 966580004 /nfs/dbraw/zinc/58/00/04/966580004.db2.gz PLAWCQRCOANMBD-LQWHRVPQSA-N 1 3 368.525 2.759 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001104676509 970085048 /nfs/dbraw/zinc/08/50/48/970085048.db2.gz NJCNKFPVFHIOHD-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001107582386 984733628 /nfs/dbraw/zinc/73/36/28/984733628.db2.gz BGBOHADEPCYHNY-IFMALSPDSA-N 1 3 368.525 2.761 20 30 FFEDHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001107582386 984733631 /nfs/dbraw/zinc/73/36/31/984733631.db2.gz BGBOHADEPCYHNY-IFMALSPDSA-N 1 3 368.525 2.761 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079151542 991816125 /nfs/dbraw/zinc/81/61/25/991816125.db2.gz YGGAPFGNCXZYLX-PWRODBHTSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079151542 991816131 /nfs/dbraw/zinc/81/61/31/991816131.db2.gz YGGAPFGNCXZYLX-PWRODBHTSA-N 1 3 371.500 2.606 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079159172 991861908 /nfs/dbraw/zinc/86/19/08/991861908.db2.gz NECMXWADSSOJMV-FFZOFVMBSA-N 1 3 359.489 2.770 20 30 FFEDHO C(#CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000671243207 993227257 /nfs/dbraw/zinc/22/72/57/993227257.db2.gz UEZAOSOJKOUTHN-ZEQRLZLVSA-N 1 3 374.532 2.909 20 30 FFEDHO C(#CC[N@H+]1CC[C@@H](Cc2ccncc2)C1)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000671243207 993227266 /nfs/dbraw/zinc/22/72/66/993227266.db2.gz UEZAOSOJKOUTHN-ZEQRLZLVSA-N 1 3 374.532 2.909 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1c1ccccc1 ZINC001081125666 993654893 /nfs/dbraw/zinc/65/48/93/993654893.db2.gz LNHZULIIXXQJFR-BHDDXSALSA-N 1 3 365.521 2.611 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1ccccc1 ZINC001081125666 993654895 /nfs/dbraw/zinc/65/48/95/993654895.db2.gz LNHZULIIXXQJFR-BHDDXSALSA-N 1 3 365.521 2.611 20 30 FFEDHO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812914400 995570330 /nfs/dbraw/zinc/57/03/30/995570330.db2.gz NICLSMXVCXJNAK-NRFANRHFSA-N 1 3 374.504 2.661 20 30 FFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001049745465 1016238276 /nfs/dbraw/zinc/23/82/76/1016238276.db2.gz FXKIUFUJRXIHAE-IVAOSVALSA-N 1 3 353.510 2.583 20 30 FFEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049745465 1016238285 /nfs/dbraw/zinc/23/82/85/1016238285.db2.gz FXKIUFUJRXIHAE-IVAOSVALSA-N 1 3 353.510 2.583 20 30 FFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001091246168 1000325704 /nfs/dbraw/zinc/32/57/04/1000325704.db2.gz FHTQEIPRDZENNS-AWRGBYNESA-N 1 3 361.917 2.569 20 30 FFEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001091246168 1000325709 /nfs/dbraw/zinc/32/57/09/1000325709.db2.gz FHTQEIPRDZENNS-AWRGBYNESA-N 1 3 361.917 2.569 20 30 FFEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086605605 1002919376 /nfs/dbraw/zinc/91/93/76/1002919376.db2.gz MQAHJROGSJFIKH-ZIBCJSCZSA-N 1 3 355.526 2.877 20 30 FFEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086605605 1002919387 /nfs/dbraw/zinc/91/93/87/1002919387.db2.gz MQAHJROGSJFIKH-ZIBCJSCZSA-N 1 3 355.526 2.877 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884378318 1007400791 /nfs/dbraw/zinc/40/07/91/1007400791.db2.gz OSOPQSAFHVSNAZ-ZXWVYEGYSA-N 1 3 372.557 2.629 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884378318 1007400796 /nfs/dbraw/zinc/40/07/96/1007400796.db2.gz OSOPQSAFHVSNAZ-ZXWVYEGYSA-N 1 3 372.557 2.629 20 30 FFEDHO C#CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCN(C)CC1 ZINC000886577685 1008748390 /nfs/dbraw/zinc/74/83/90/1008748390.db2.gz SPTINDGHUCXDNX-UHFFFAOYSA-N 1 3 353.510 2.842 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001093224460 1010167499 /nfs/dbraw/zinc/16/74/99/1010167499.db2.gz WVZFQULWJXYKLU-XQBPLPMBSA-N 1 3 367.537 2.777 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001093224460 1010167509 /nfs/dbraw/zinc/16/75/09/1010167509.db2.gz WVZFQULWJXYKLU-XQBPLPMBSA-N 1 3 367.537 2.777 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001094241418 1010983834 /nfs/dbraw/zinc/98/38/34/1010983834.db2.gz BLBYACFUWPTZDI-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC001099174564 1022002748 /nfs/dbraw/zinc/00/27/48/1022002748.db2.gz UGMIYULSEDIXKV-GMAHTHKFSA-N 1 3 365.521 2.503 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC001099174564 1022002760 /nfs/dbraw/zinc/00/27/60/1022002760.db2.gz UGMIYULSEDIXKV-GMAHTHKFSA-N 1 3 365.521 2.503 20 30 FFEDHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)NC1CCCCCC1 ZINC000190538694 1023652291 /nfs/dbraw/zinc/65/22/91/1023652291.db2.gz LJJIEWCPMOXNRJ-FQEVSTJZSA-N 1 3 358.530 2.905 20 30 FFEDHO N#Cc1c(NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)sc2c1CC[NH2+]C2 ZINC001218552799 1033217348 /nfs/dbraw/zinc/21/73/48/1033217348.db2.gz KOKLDCLYYOLEPB-DEMYODCQSA-N 1 3 370.522 2.748 20 30 FFEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372699 1025835803 /nfs/dbraw/zinc/83/58/03/1025835803.db2.gz KZRRWAROEBZZIS-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372699 1025835826 /nfs/dbraw/zinc/83/58/26/1025835826.db2.gz KZRRWAROEBZZIS-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C[N@@H+]2C1 ZINC001141817177 1027008904 /nfs/dbraw/zinc/00/89/04/1027008904.db2.gz KCNSWIKWNOIIRW-QMMLZNLJSA-N 1 3 368.525 2.569 20 30 FFEDHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C[N@H+]2C1 ZINC001141817177 1027008912 /nfs/dbraw/zinc/00/89/12/1027008912.db2.gz KCNSWIKWNOIIRW-QMMLZNLJSA-N 1 3 368.525 2.569 20 30 FFEDHO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495880 1027604350 /nfs/dbraw/zinc/60/43/50/1027604350.db2.gz XESGXRSMUYCDPP-VAMGGRTRSA-N 1 3 365.562 2.526 20 30 FFEDHO C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001103495880 1027604366 /nfs/dbraw/zinc/60/43/66/1027604366.db2.gz XESGXRSMUYCDPP-VAMGGRTRSA-N 1 3 365.562 2.526 20 30 FFEDHO CN(C)CCN(C(=O)c1ccc(C#C[Si](C)(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161449971 1028180585 /nfs/dbraw/zinc/18/05/85/1028180585.db2.gz WVZFLBRQNLFGKB-HXUWFJFHSA-N 1 3 371.601 2.671 20 30 FFEDHO C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001104196265 1028653873 /nfs/dbraw/zinc/65/38/73/1028653873.db2.gz PPDWEVJZSHHRAE-RTBURBONSA-N 1 3 365.562 2.528 20 30 FFEDHO C[NH+](C)CC1CCC(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1 ZINC001163302974 1028882619 /nfs/dbraw/zinc/88/26/19/1028882619.db2.gz FFORTZDDESWWQO-GPANFISMSA-N 1 3 373.501 2.958 20 30 FFEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001112378834 1030702917 /nfs/dbraw/zinc/70/29/17/1030702917.db2.gz FXJPZQPHBIROSI-BQFCYCMXSA-N 1 3 359.917 2.637 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000798405837 1031398019 /nfs/dbraw/zinc/39/80/19/1031398019.db2.gz AFRYQHIERDSOHV-JOCHJYFZSA-N 1 3 370.541 2.848 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798405837 1031398035 /nfs/dbraw/zinc/39/80/35/1031398035.db2.gz AFRYQHIERDSOHV-JOCHJYFZSA-N 1 3 370.541 2.848 20 30 FFEDHO C#CC1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000830338220 1033577674 /nfs/dbraw/zinc/57/76/74/1033577674.db2.gz XKEDMBOTINFHNO-SFHVURJKSA-N 1 3 353.510 2.501 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096003 1034543142 /nfs/dbraw/zinc/54/31/42/1034543142.db2.gz MGKSMQQUPUJTOW-AABGKKOBSA-N 1 3 367.578 2.629 20 30 FFEDHO O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1)C12CCC[NH+]1CCC2 ZINC001227276673 1035494669 /nfs/dbraw/zinc/49/46/69/1035494669.db2.gz ZZGOIRYOOPRGII-NHCUHLMSSA-N 1 3 365.521 2.684 20 30 FFEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001537237594 1070150750 /nfs/dbraw/zinc/15/07/50/1070150750.db2.gz RKCDEKMDNIFKLQ-QFIPXVFZSA-N 1 3 367.537 2.845 20 30 FFEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001537237594 1070150755 /nfs/dbraw/zinc/15/07/55/1070150755.db2.gz RKCDEKMDNIFKLQ-QFIPXVFZSA-N 1 3 367.537 2.845 20 30 FFEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001246308407 1039308497 /nfs/dbraw/zinc/30/84/97/1039308497.db2.gz REUDWCILTCMQDZ-TYPHKJRUSA-N 1 3 373.541 2.856 20 30 FFEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001263101252 1042104644 /nfs/dbraw/zinc/10/46/44/1042104644.db2.gz NBDFWOHNZAJZTD-GOSISDBHSA-N 1 3 373.501 2.524 20 30 FFEDHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001264486861 1042693466 /nfs/dbraw/zinc/69/34/66/1042693466.db2.gz JCTJZIPYMAHMMG-ZCNNSNEGSA-N 1 3 356.514 2.519 20 30 FFEDHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(Cl)cccc3C#N)C[C@H]2CC1 ZINC001278313751 1044339517 /nfs/dbraw/zinc/33/95/17/1044339517.db2.gz GWEFTMUAXQBHRB-HDICACEKSA-N 1 3 360.933 2.917 20 30 FFEDHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(Cl)cccc3C#N)C[C@H]2CC1 ZINC001278313751 1044339529 /nfs/dbraw/zinc/33/95/29/1044339529.db2.gz GWEFTMUAXQBHRB-HDICACEKSA-N 1 3 360.933 2.917 20 30 FFEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001340077535 1050484147 /nfs/dbraw/zinc/48/41/47/1050484147.db2.gz QHFGAMIBTIEKAE-GOSISDBHSA-N 1 3 362.493 2.978 20 30 FFEDHO Cc1cc(C#N)cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000332067143 258212584 /nfs/dbraw/zinc/21/25/84/258212584.db2.gz STTRXAHDDPYYJM-UHFFFAOYSA-N 1 3 355.486 2.547 20 30 FFEDHO CN(C)CCOc1cccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c1 ZINC000083031083 508233869 /nfs/dbraw/zinc/23/38/69/508233869.db2.gz CMNYYGSGRIEZIM-IBGZPJMESA-N 1 3 368.481 2.555 20 30 FFEDHO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000248404158 509298645 /nfs/dbraw/zinc/29/86/45/509298645.db2.gz ZXTZTCHKVUIABH-GUDVDZBRSA-N 1 3 370.541 2.741 20 30 FFEDHO COc1ccc(NC(=[NH2+])NCCCN2CCc3ccccc3C2)cc1OC ZINC000264103079 509332072 /nfs/dbraw/zinc/33/20/72/509332072.db2.gz OOCQHKOUILGSMB-UHFFFAOYSA-N 1 3 368.481 2.879 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176630237 509619075 /nfs/dbraw/zinc/61/90/75/509619075.db2.gz COWQNNYBFQRDQQ-VQTJNVASSA-N 1 3 371.529 2.504 20 30 FFEDHO C#CCOc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000180984250 510221883 /nfs/dbraw/zinc/22/18/83/510221883.db2.gz RDXKALDOZLSEBX-JOCHJYFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C#CCOc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000180984250 510221890 /nfs/dbraw/zinc/22/18/90/510221890.db2.gz RDXKALDOZLSEBX-JOCHJYFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000171707935 510321926 /nfs/dbraw/zinc/32/19/26/510321926.db2.gz LMDYEKNNQZCGHN-IBGZPJMESA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000171737857 510338432 /nfs/dbraw/zinc/33/84/32/510338432.db2.gz UBPYXXVBTCBCDB-UHFFFAOYSA-N 1 3 358.530 2.930 20 30 FFEDHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000181975514 510686901 /nfs/dbraw/zinc/68/69/01/510686901.db2.gz PFKGNPNTUVBTNS-INIZCTEOSA-N 1 3 350.466 2.700 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000280305145 511415174 /nfs/dbraw/zinc/41/51/74/511415174.db2.gz HNZLHGCWIWAMLC-SFHVURJKSA-N 1 3 350.466 2.764 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000280318534 511419654 /nfs/dbraw/zinc/41/96/54/511419654.db2.gz IKPJDKOYKICFLN-WOJBJXKFSA-N 1 3 350.466 2.575 20 30 FFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331387 514096277 /nfs/dbraw/zinc/09/62/77/514096277.db2.gz QRLXMSBCZAEKBI-OKZBNKHCSA-N 1 3 361.555 2.973 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424138223 514395197 /nfs/dbraw/zinc/39/51/97/514395197.db2.gz TZVTUIUXQBHVCQ-FUHIMQAGSA-N 1 3 356.514 2.802 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424138223 514395200 /nfs/dbraw/zinc/39/52/00/514395200.db2.gz TZVTUIUXQBHVCQ-FUHIMQAGSA-N 1 3 356.514 2.802 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C(C)C ZINC000470755193 514595451 /nfs/dbraw/zinc/59/54/51/514595451.db2.gz KWXHZDICOKLHGD-PMACEKPBSA-N 1 3 362.562 2.812 20 30 FFEDHO C=C(CC)CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453374807 514614097 /nfs/dbraw/zinc/61/40/97/514614097.db2.gz UFLCWLDWHGEPPE-INIZCTEOSA-N 1 3 353.532 2.533 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)C(C)C ZINC000509799946 515327786 /nfs/dbraw/zinc/32/77/86/515327786.db2.gz VKSVUEWIPJKPGL-IBGZPJMESA-N 1 3 350.551 2.668 20 30 FFEDHO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c(OC)c1 ZINC000573477764 518686061 /nfs/dbraw/zinc/68/60/61/518686061.db2.gz JQQGPKVFVCYPRC-GUDVDZBRSA-N 1 3 362.514 2.626 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000596692397 521224255 /nfs/dbraw/zinc/22/42/55/521224255.db2.gz FIHOJSOYJLBVOV-KRWDZBQOSA-N 1 3 371.529 2.504 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000596692397 521224263 /nfs/dbraw/zinc/22/42/63/521224263.db2.gz FIHOJSOYJLBVOV-KRWDZBQOSA-N 1 3 371.529 2.504 20 30 FFEDHO N#Cc1cccc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000602581512 521423448 /nfs/dbraw/zinc/42/34/48/521423448.db2.gz JEOUADPPOXJSOD-UHFFFAOYSA-N 1 3 350.466 2.760 20 30 FFEDHO [NH2+]=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCSCC1 ZINC000262549023 729668147 /nfs/dbraw/zinc/66/81/47/729668147.db2.gz WTUKPQDCQVOPGN-UHFFFAOYSA-N 1 3 366.962 2.916 20 30 FFEDHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001104288363 961845410 /nfs/dbraw/zinc/84/54/10/961845410.db2.gz XININAVQCYSCNI-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001104294447 962383679 /nfs/dbraw/zinc/38/36/79/962383679.db2.gz QGJAFDMOOUENSI-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1Cc1cccc(C#N)c1 ZINC001088709759 975428671 /nfs/dbraw/zinc/42/86/71/975428671.db2.gz TVPYQRAYLKJTDT-QRWLVFNGSA-N 1 3 359.433 2.599 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC001211724201 977454414 /nfs/dbraw/zinc/45/44/14/977454414.db2.gz SVRPURNMGLIXSK-FCHUYYIVSA-N 1 3 367.537 2.860 20 30 FFEDHO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H](OC)C1 ZINC001213213724 981403219 /nfs/dbraw/zinc/40/32/19/981403219.db2.gz QQOVRUJOPIQHNR-VAMGGRTRSA-N 1 3 365.562 2.647 20 30 FFEDHO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H](OC)C1 ZINC001213213724 981403222 /nfs/dbraw/zinc/40/32/22/981403222.db2.gz QQOVRUJOPIQHNR-VAMGGRTRSA-N 1 3 365.562 2.647 20 30 FFEDHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107614422 984824046 /nfs/dbraw/zinc/82/40/46/984824046.db2.gz APFCTEKGNAUIDR-IFMALSPDSA-N 1 3 368.525 2.761 20 30 FFEDHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107614422 984824066 /nfs/dbraw/zinc/82/40/66/984824066.db2.gz APFCTEKGNAUIDR-IFMALSPDSA-N 1 3 368.525 2.761 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(CC)c3)[C@@H]2C)CC1 ZINC001089059898 986141358 /nfs/dbraw/zinc/14/13/58/986141358.db2.gz HUZGMZGELNKSNW-GCJKJVERSA-N 1 3 367.537 2.673 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(CC)c3)[C@@H]2C)CC1 ZINC001089059898 986141363 /nfs/dbraw/zinc/14/13/63/986141363.db2.gz HUZGMZGELNKSNW-GCJKJVERSA-N 1 3 367.537 2.673 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079158992 991862633 /nfs/dbraw/zinc/86/26/33/991862633.db2.gz DNXJADUHDMBVGE-LSTHTHJFSA-N 1 3 359.489 2.628 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001131515632 994344369 /nfs/dbraw/zinc/34/43/69/994344369.db2.gz VOXHSIBVIMMNGT-AABGKKOBSA-N 1 3 365.562 2.525 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC1 ZINC001096605481 1016343449 /nfs/dbraw/zinc/34/34/49/1016343449.db2.gz REAZQQKSZDNVPG-HKBOAZHASA-N 1 3 357.542 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC1 ZINC001096605481 1016343459 /nfs/dbraw/zinc/34/34/59/1016343459.db2.gz REAZQQKSZDNVPG-HKBOAZHASA-N 1 3 357.542 2.633 20 30 FFEDHO C[N@@H+]1CCC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000766991163 1000094462 /nfs/dbraw/zinc/09/44/62/1000094462.db2.gz XDBHGMQRLDNLDB-HLLBOEOZSA-N 1 3 368.506 2.889 20 30 FFEDHO C[N@H+]1CCC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@H]21 ZINC000766991163 1000094464 /nfs/dbraw/zinc/09/44/64/1000094464.db2.gz XDBHGMQRLDNLDB-HLLBOEOZSA-N 1 3 368.506 2.889 20 30 FFEDHO CN(C)Cc1cnc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000846106780 1000209291 /nfs/dbraw/zinc/20/92/91/1000209291.db2.gz JLQVLTHOAPQPPW-UHFFFAOYSA-N 1 3 369.538 2.831 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001086882205 1001299808 /nfs/dbraw/zinc/29/98/08/1001299808.db2.gz GNCHQNIJYOBKKR-PZJWPPBQSA-N 1 3 359.558 2.786 20 30 FFEDHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1 ZINC001112586366 1001538004 /nfs/dbraw/zinc/53/80/04/1001538004.db2.gz WCFVXIYEWQSIKS-GMAHTHKFSA-N 1 3 367.537 2.597 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001086613177 1003363319 /nfs/dbraw/zinc/36/33/19/1003363319.db2.gz FVQHPCADQDWDOA-ILWGZMRPSA-N 1 3 367.537 2.858 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC000807858792 1004701932 /nfs/dbraw/zinc/70/19/32/1004701932.db2.gz OIBOXYKAJZTLFX-QFIPXVFZSA-N 1 3 369.553 2.949 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961486 1004854438 /nfs/dbraw/zinc/85/44/38/1004854438.db2.gz OTLHFZLUMKTORA-RTBURBONSA-N 1 3 367.578 2.630 20 30 FFEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001086712150 1005960357 /nfs/dbraw/zinc/96/03/57/1005960357.db2.gz RKLXUWCZQFOIGB-WMQCIHAUSA-N 1 3 368.525 2.807 20 30 FFEDHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001086712150 1005960361 /nfs/dbraw/zinc/96/03/61/1005960361.db2.gz RKLXUWCZQFOIGB-WMQCIHAUSA-N 1 3 368.525 2.807 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]2C)CC1 ZINC001093223612 1010168181 /nfs/dbraw/zinc/16/81/81/1010168181.db2.gz COEWCGOTIJKPEP-WIYYLYMNSA-N 1 3 371.569 2.596 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2C)CC1 ZINC001093223612 1010168190 /nfs/dbraw/zinc/16/81/90/1010168190.db2.gz COEWCGOTIJKPEP-WIYYLYMNSA-N 1 3 371.569 2.596 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C/CCC)CC1 ZINC001110147078 1010342970 /nfs/dbraw/zinc/34/29/70/1010342970.db2.gz JIOFNUONSZZHEW-SBHKMSJPSA-N 1 3 357.542 2.800 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C/CCC)CC1 ZINC001110147078 1010342984 /nfs/dbraw/zinc/34/29/84/1010342984.db2.gz JIOFNUONSZZHEW-SBHKMSJPSA-N 1 3 357.542 2.800 20 30 FFEDHO CC1CCN(CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972072 1012141056 /nfs/dbraw/zinc/14/10/56/1012141056.db2.gz WBGSJGYAPJNAON-MSOLQXFVSA-N 1 3 364.534 2.990 20 30 FFEDHO CC(C)CN1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172984253 1012151433 /nfs/dbraw/zinc/15/14/33/1012151433.db2.gz LDSKYFIFWOUOLT-MSOLQXFVSA-N 1 3 364.534 2.988 20 30 FFEDHO C[C@H]1CCN(Cc2cc(C#N)cc(CN3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337430 1020776124 /nfs/dbraw/zinc/77/61/24/1020776124.db2.gz RYUGPGYFOKTZGV-ROUUACIJSA-N 1 3 357.498 2.780 20 30 FFEDHO CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C#N)cc(C[N@H+](C)[C@H]2CC[C@@H]2OC)c1 ZINC000934103683 1021142458 /nfs/dbraw/zinc/14/24/58/1021142458.db2.gz DICHXDSMQXHNCP-XSDIEEQYSA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C#N)cc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)c1 ZINC000934103683 1021142462 /nfs/dbraw/zinc/14/24/62/1021142462.db2.gz DICHXDSMQXHNCP-XSDIEEQYSA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C#N)cc(CN(C)[C@H]2CC[C@@H]2OC)c1 ZINC000934103683 1021142465 /nfs/dbraw/zinc/14/24/65/1021142465.db2.gz DICHXDSMQXHNCP-XSDIEEQYSA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(C#N)cc(CN(C)[C@H]2CC[C@@H]2OC)c1 ZINC000934103683 1021142468 /nfs/dbraw/zinc/14/24/68/1021142468.db2.gz DICHXDSMQXHNCP-XSDIEEQYSA-N 1 3 357.498 2.777 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC001111950833 1029789874 /nfs/dbraw/zinc/78/98/74/1029789874.db2.gz CTQJWNXFDZESFN-UNMCSNQZSA-N 1 3 368.525 2.761 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C#N)cc1)C2 ZINC001111950833 1029789883 /nfs/dbraw/zinc/78/98/83/1029789883.db2.gz CTQJWNXFDZESFN-UNMCSNQZSA-N 1 3 368.525 2.761 20 30 FFEDHO C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001112171422 1030142116 /nfs/dbraw/zinc/14/21/16/1030142116.db2.gz IHRKSTLTSQVABV-HUUCEWRRSA-N 1 3 358.408 2.678 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205415212 1031727950 /nfs/dbraw/zinc/72/79/50/1031727950.db2.gz KUEZBXTWTWIEHF-XUVXKRRUSA-N 1 3 359.489 2.626 20 30 FFEDHO C#CC1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000830338219 1033578887 /nfs/dbraw/zinc/57/88/87/1033578887.db2.gz XKEDMBOTINFHNO-GOSISDBHSA-N 1 3 353.510 2.501 20 30 FFEDHO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219483420 1033664738 /nfs/dbraw/zinc/66/47/38/1033664738.db2.gz WKINMDZHSSIWCU-QGZVFWFLSA-N 1 3 363.965 2.834 20 30 FFEDHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001227166650 1034957835 /nfs/dbraw/zinc/95/78/35/1034957835.db2.gz WEMFVPNOZSPTNK-WOJBJXKFSA-N 1 3 355.526 2.785 20 30 FFEDHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001227166650 1034957841 /nfs/dbraw/zinc/95/78/41/1034957841.db2.gz WEMFVPNOZSPTNK-WOJBJXKFSA-N 1 3 355.526 2.785 20 30 FFEDHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cccc(C#N)n1)CC2 ZINC001232924130 1036160522 /nfs/dbraw/zinc/16/05/22/1036160522.db2.gz QVXPAMKROQDNKH-IBGZPJMESA-N 1 3 366.465 2.802 20 30 FFEDHO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cccc(C#N)n1)CC2 ZINC001232924130 1036160533 /nfs/dbraw/zinc/16/05/33/1036160533.db2.gz QVXPAMKROQDNKH-IBGZPJMESA-N 1 3 366.465 2.802 20 30 FFEDHO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cccc(C#N)n1)CC2 ZINC001232924130 1036160544 /nfs/dbraw/zinc/16/05/44/1036160544.db2.gz QVXPAMKROQDNKH-IBGZPJMESA-N 1 3 366.465 2.802 20 30 FFEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](OC)C1 ZINC001213914616 1041069472 /nfs/dbraw/zinc/06/94/72/1041069472.db2.gz NQOIHOMBYGBMRK-PWIZWCRZSA-N 1 3 359.514 2.532 20 30 FFEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](OC)C1 ZINC001213914616 1041069490 /nfs/dbraw/zinc/06/94/90/1041069490.db2.gz NQOIHOMBYGBMRK-PWIZWCRZSA-N 1 3 359.514 2.532 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213933588 1041085954 /nfs/dbraw/zinc/08/59/54/1041085954.db2.gz ALDJJEMRLBGTOY-VAMGGRTRSA-N 1 3 367.578 2.893 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974107 1041129500 /nfs/dbraw/zinc/12/95/00/1041129500.db2.gz ISVDCWLIBXCIKD-WOJBJXKFSA-N 1 3 365.562 2.814 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1Cc1cccc(C#N)c1 ZINC001264071713 1042613971 /nfs/dbraw/zinc/61/39/71/1042613971.db2.gz LPORWVKIQDXHQY-LEWJYISDSA-N 1 3 368.525 2.903 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)CC1 ZINC001331437260 1047935360 /nfs/dbraw/zinc/93/53/60/1047935360.db2.gz IATYQNAVSGPRQV-VXKWHMMOSA-N 1 3 365.521 2.600 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001336780690 1054220197 /nfs/dbraw/zinc/22/01/97/1054220197.db2.gz OGFBBTLJDOZFOD-KRWDZBQOSA-N 1 3 356.388 2.696 20 30 FFEDHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001566053138 1076880535 /nfs/dbraw/zinc/88/05/35/1076880535.db2.gz SVRZDXNTANPZFN-RTWAWAEBSA-N 1 3 368.525 2.570 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000066921123 506695068 /nfs/dbraw/zinc/69/50/68/506695068.db2.gz PKGZWWXCEHGTMM-UHFFFAOYSA-N 1 3 368.525 2.501 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179153268 509291211 /nfs/dbraw/zinc/29/12/11/509291211.db2.gz LAMFPMRMVMUBDM-VQTJNVASSA-N 1 3 356.514 2.772 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000176598489 509604020 /nfs/dbraw/zinc/60/40/20/509604020.db2.gz NVMIVLJRHPFZRB-FXAWDEMLSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000176598489 509604023 /nfs/dbraw/zinc/60/40/23/509604023.db2.gz NVMIVLJRHPFZRB-FXAWDEMLSA-N 1 3 356.514 2.599 20 30 FFEDHO Cn1cc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)cc1C#N ZINC000190792696 510346460 /nfs/dbraw/zinc/34/64/60/510346460.db2.gz ZSRFYYVVYDKAHR-UHFFFAOYSA-N 1 3 351.498 2.589 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000283653514 511449710 /nfs/dbraw/zinc/44/97/10/511449710.db2.gz JYRDDUVBDXNEPE-GOSISDBHSA-N 1 3 364.921 2.892 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000283653514 511449713 /nfs/dbraw/zinc/44/97/13/511449713.db2.gz JYRDDUVBDXNEPE-GOSISDBHSA-N 1 3 364.921 2.892 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363888531 511832311 /nfs/dbraw/zinc/83/23/11/511832311.db2.gz MNZLTAXLCKZBQK-IBGZPJMESA-N 1 3 370.541 2.827 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000375670795 512447162 /nfs/dbraw/zinc/44/71/62/512447162.db2.gz DFBGREUCMIJACQ-FCHUYYIVSA-N 1 3 372.472 2.879 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000375670795 512447164 /nfs/dbraw/zinc/44/71/64/512447164.db2.gz DFBGREUCMIJACQ-FCHUYYIVSA-N 1 3 372.472 2.879 20 30 FFEDHO C[C@H](CCC#N)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000411328343 512582668 /nfs/dbraw/zinc/58/26/68/512582668.db2.gz JFJVJOJZVURJGH-GOSISDBHSA-N 1 3 356.514 2.639 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000376507474 512848532 /nfs/dbraw/zinc/84/85/32/512848532.db2.gz WDHXQHKGCVLARC-FQEVSTJZSA-N 1 3 350.466 2.575 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)C(C)C ZINC000417061292 514149245 /nfs/dbraw/zinc/14/92/45/514149245.db2.gz KUSSOGRQZIQOTN-IBGZPJMESA-N 1 3 362.562 2.860 20 30 FFEDHO C=CCOc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000505789401 515672466 /nfs/dbraw/zinc/67/24/66/515672466.db2.gz KZBUOSCCOLMYRS-IBGZPJMESA-N 1 3 359.514 2.740 20 30 FFEDHO C=CCOc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000505789401 515672474 /nfs/dbraw/zinc/67/24/74/515672474.db2.gz KZBUOSCCOLMYRS-IBGZPJMESA-N 1 3 359.514 2.740 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000465667823 516224211 /nfs/dbraw/zinc/22/42/11/516224211.db2.gz RPBPKOLYOBHLTM-FXAWDEMLSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000465667823 516224222 /nfs/dbraw/zinc/22/42/22/516224222.db2.gz RPBPKOLYOBHLTM-FXAWDEMLSA-N 1 3 371.529 2.677 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000518530093 516694430 /nfs/dbraw/zinc/69/44/30/516694430.db2.gz NISYPEHLMXPITJ-IAGOWNOFSA-N 1 3 350.551 2.693 20 30 FFEDHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000543208277 517969107 /nfs/dbraw/zinc/96/91/07/517969107.db2.gz SADNBUPXBPFJQR-UHFFFAOYSA-N 1 3 370.541 2.669 20 30 FFEDHO N#Cc1csc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000576625507 518681924 /nfs/dbraw/zinc/68/19/24/518681924.db2.gz DHPNWBDFLGOMJX-UHFFFAOYSA-N 1 3 369.538 2.702 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565567558 519020848 /nfs/dbraw/zinc/02/08/48/519020848.db2.gz UBJZICGDMLWCLM-CUWPLCDZSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000565567558 519020852 /nfs/dbraw/zinc/02/08/52/519020852.db2.gz UBJZICGDMLWCLM-CUWPLCDZSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000565567558 519020857 /nfs/dbraw/zinc/02/08/57/519020857.db2.gz UBJZICGDMLWCLM-CUWPLCDZSA-N 1 3 371.525 2.735 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000591309895 519584100 /nfs/dbraw/zinc/58/41/00/519584100.db2.gz MUMICURKBNOBKK-UHFFFAOYSA-N 1 3 351.454 2.613 20 30 FFEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440546 519966222 /nfs/dbraw/zinc/96/62/22/519966222.db2.gz FCDRWXGLHSTBEE-XLIONFOSSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440546 519966232 /nfs/dbraw/zinc/96/62/32/519966232.db2.gz FCDRWXGLHSTBEE-XLIONFOSSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)C1 ZINC000594440642 519966649 /nfs/dbraw/zinc/96/66/49/519966649.db2.gz HGTPBUCSWOGKMT-XLIONFOSSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)C1 ZINC000594440642 519966658 /nfs/dbraw/zinc/96/66/58/519966658.db2.gz HGTPBUCSWOGKMT-XLIONFOSSA-N 1 3 356.514 2.946 20 30 FFEDHO C[NH+](C)CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594440737 519967271 /nfs/dbraw/zinc/96/72/71/519967271.db2.gz ILZJPTAWPGMUGE-OAHLLOKOSA-N 1 3 352.866 2.630 20 30 FFEDHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600715638 520415874 /nfs/dbraw/zinc/41/58/74/520415874.db2.gz ULVVQVQZHJPKMH-FQEVSTJZSA-N 1 3 359.514 2.689 20 30 FFEDHO COc1ccc(CN2CCC(C[NH2+]C[C@H](O)CC3(C#N)CC3)CC2)cc1 ZINC000600723116 520425238 /nfs/dbraw/zinc/42/52/38/520425238.db2.gz VTBBZGLUHSEVBC-LJQANCHMSA-N 1 3 357.498 2.552 20 30 FFEDHO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000600736963 520435754 /nfs/dbraw/zinc/43/57/54/520435754.db2.gz TZDDNHIFVQYSQA-UWHLTILDSA-N 1 3 353.510 2.931 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)c(Br)c1 ZINC000303892025 729735407 /nfs/dbraw/zinc/73/54/07/729735407.db2.gz RDOCOZIQWNZFOW-CYBMUJFWSA-N 1 3 371.298 2.519 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000876780784 732280851 /nfs/dbraw/zinc/28/08/51/732280851.db2.gz BJVLWSQYNATLBC-SFHVURJKSA-N 1 3 362.905 2.627 20 30 FFEDHO C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001087474933 965567864 /nfs/dbraw/zinc/56/78/64/965567864.db2.gz GXWWCZXHLKOKIX-PCCBWWKXSA-N 1 3 371.525 2.640 20 30 FFEDHO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001087474933 965567873 /nfs/dbraw/zinc/56/78/73/965567873.db2.gz GXWWCZXHLKOKIX-PCCBWWKXSA-N 1 3 371.525 2.640 20 30 FFEDHO C[C@@H](NCc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101868 965773725 /nfs/dbraw/zinc/77/37/25/965773725.db2.gz PKGCNCMVHPINGU-CBGDNZLLSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@@H](NCc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101868 965773739 /nfs/dbraw/zinc/77/37/39/965773739.db2.gz PKGCNCMVHPINGU-CBGDNZLLSA-N 1 3 368.525 2.615 20 30 FFEDHO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262401066 972734836 /nfs/dbraw/zinc/73/48/36/972734836.db2.gz NQSGYRZAXYYBAG-OKYOBFRVSA-N 1 3 362.562 2.716 20 30 FFEDHO C=CC[C@@]1(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CCC[NH2+]1 ZINC000662669621 975810360 /nfs/dbraw/zinc/81/03/60/975810360.db2.gz GRWGFTZKPLPDAF-CTNGQTDRSA-N 1 3 359.514 2.893 20 30 FFEDHO C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001087453391 977761310 /nfs/dbraw/zinc/76/13/10/977761310.db2.gz QIWLFWKWZGZQPU-VAMGGRTRSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001087453391 977761316 /nfs/dbraw/zinc/76/13/16/977761316.db2.gz QIWLFWKWZGZQPU-VAMGGRTRSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001087453391 977761320 /nfs/dbraw/zinc/76/13/20/977761320.db2.gz QIWLFWKWZGZQPU-VAMGGRTRSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087453391 977761326 /nfs/dbraw/zinc/76/13/26/977761326.db2.gz QIWLFWKWZGZQPU-VAMGGRTRSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087453391 977761328 /nfs/dbraw/zinc/76/13/28/977761328.db2.gz QIWLFWKWZGZQPU-VAMGGRTRSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)COc1cc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)ccc1OC ZINC000057963290 984531408 /nfs/dbraw/zinc/53/14/08/984531408.db2.gz RJCAUCBYTYOSEC-GOSISDBHSA-N 1 3 361.530 2.766 20 30 FFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550043 984666939 /nfs/dbraw/zinc/66/69/39/984666939.db2.gz LQFJKATWCBYSMS-DUXKGJEZSA-N 1 3 363.521 2.583 20 30 FFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550043 984666946 /nfs/dbraw/zinc/66/69/46/984666946.db2.gz LQFJKATWCBYSMS-DUXKGJEZSA-N 1 3 363.521 2.583 20 30 FFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997315395 985357833 /nfs/dbraw/zinc/35/78/33/985357833.db2.gz DIIZELDYMZGUDT-QIJUGHKUSA-N 1 3 367.537 2.572 20 30 FFEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997315395 985357847 /nfs/dbraw/zinc/35/78/47/985357847.db2.gz DIIZELDYMZGUDT-QIJUGHKUSA-N 1 3 367.537 2.572 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@H]2C)CC1 ZINC001080997462 993547881 /nfs/dbraw/zinc/54/78/81/993547881.db2.gz DZYJTOHTDBKBTB-XQBPLPMBSA-N 1 3 367.537 2.838 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@H]2C)CC1 ZINC001080997462 993547886 /nfs/dbraw/zinc/54/78/86/993547886.db2.gz DZYJTOHTDBKBTB-XQBPLPMBSA-N 1 3 367.537 2.838 20 30 FFEDHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082782735 995489691 /nfs/dbraw/zinc/48/96/91/995489691.db2.gz NUZMNXGPYXUMFX-DUXKGJEZSA-N 1 3 368.525 2.758 20 30 FFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001085331807 999376281 /nfs/dbraw/zinc/37/62/81/999376281.db2.gz AOVLEYSJGSRXNL-IIDMSEBBSA-N 1 3 359.917 2.968 20 30 FFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085331807 999376283 /nfs/dbraw/zinc/37/62/83/999376283.db2.gz AOVLEYSJGSRXNL-IIDMSEBBSA-N 1 3 359.917 2.968 20 30 FFEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086589090 1002437003 /nfs/dbraw/zinc/43/70/03/1002437003.db2.gz HKBYCXBXYKAGJV-UWHLTILDSA-N 1 3 355.526 2.877 20 30 FFEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086589090 1002437007 /nfs/dbraw/zinc/43/70/07/1002437007.db2.gz HKBYCXBXYKAGJV-UWHLTILDSA-N 1 3 355.526 2.877 20 30 FFEDHO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2sccc2CN(C)C)[C@H](C)C1 ZINC001092650605 1003296821 /nfs/dbraw/zinc/29/68/21/1003296821.db2.gz HXTWIGNQZPRTNS-IUODEOHRSA-N 1 3 355.935 2.860 20 30 FFEDHO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2sccc2CN(C)C)[C@H](C)C1 ZINC001092650605 1003296834 /nfs/dbraw/zinc/29/68/34/1003296834.db2.gz HXTWIGNQZPRTNS-IUODEOHRSA-N 1 3 355.935 2.860 20 30 FFEDHO CC[C@H](C)c1ccc(NC(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000303983294 1012552278 /nfs/dbraw/zinc/55/22/78/1012552278.db2.gz RAJJLFOPSDTCOV-LPHOPBHVSA-N 1 3 373.545 2.869 20 30 FFEDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cncc(C#N)c1 ZINC000929810020 1019667858 /nfs/dbraw/zinc/66/78/58/1019667858.db2.gz OZRHQMATOQKSNS-UHFFFAOYSA-N 1 3 355.530 2.581 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC2CCC2)C3)CC1 ZINC001099174064 1022000422 /nfs/dbraw/zinc/00/04/22/1022000422.db2.gz BTOFIFHVKXHJOI-GMAHTHKFSA-N 1 3 371.569 2.883 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC2CCC2)C3)CC1 ZINC001099174064 1022000429 /nfs/dbraw/zinc/00/04/29/1022000429.db2.gz BTOFIFHVKXHJOI-GMAHTHKFSA-N 1 3 371.569 2.883 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000753298062 1023302065 /nfs/dbraw/zinc/30/20/65/1023302065.db2.gz FGTOGXHLQHFFBN-PZJWPPBQSA-N 1 3 367.537 2.749 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000753298062 1023302076 /nfs/dbraw/zinc/30/20/76/1023302076.db2.gz FGTOGXHLQHFFBN-PZJWPPBQSA-N 1 3 367.537 2.749 20 30 FFEDHO N#Cc1c2c(sc1NC(=O)C1(CC3CCC3)CC[NH2+]CC1)CNCC2 ZINC001218551863 1033216634 /nfs/dbraw/zinc/21/66/34/1033216634.db2.gz BLLIIOMIQOURAM-UHFFFAOYSA-N 1 3 358.511 2.764 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001158556266 1027059754 /nfs/dbraw/zinc/05/97/54/1027059754.db2.gz YTOAEAVAMHRWSK-XPNTWCBSSA-N 1 3 374.488 2.554 20 30 FFEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc([C@H](C#N)c2ccccc2F)nn1 ZINC001163129477 1028813209 /nfs/dbraw/zinc/81/32/09/1028813209.db2.gz ZVWMKTLGTNQBPW-OAHLLOKOSA-N 1 3 369.448 2.549 20 30 FFEDHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001157803906 1029667420 /nfs/dbraw/zinc/66/74/20/1029667420.db2.gz XACGISOCGQKTNO-KKUMJFAQSA-N 1 3 359.474 2.710 20 30 FFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112115966 1030039926 /nfs/dbraw/zinc/03/99/26/1030039926.db2.gz AZKSTGDRUHRKBN-NUEKZKHPSA-N 1 3 361.452 2.804 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1ccccc1F ZINC001205686060 1031936195 /nfs/dbraw/zinc/93/61/95/1031936195.db2.gz PVTDSLHFSPOUPE-TYPHKJRUSA-N 1 3 371.500 2.607 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002818 1033454018 /nfs/dbraw/zinc/45/40/18/1033454018.db2.gz DYBOVTUVXKLQOP-RBUKOAKNSA-N 1 3 353.551 2.600 20 30 FFEDHO C=CCCCCC[C@H](N)C(=O)N(c1cccc(F)c1N)C1CC[NH2+]CC1 ZINC001219280894 1033583169 /nfs/dbraw/zinc/58/31/69/1033583169.db2.gz QDZAUXONSYPYNK-KRWDZBQOSA-N 1 3 362.493 2.957 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096004 1034543468 /nfs/dbraw/zinc/54/34/68/1034543468.db2.gz MGKSMQQUPUJTOW-HSALFYBXSA-N 1 3 367.578 2.629 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)NCC2(CC3CCC3)CC[NH2+]CC2)cc1 ZINC001221130071 1034569744 /nfs/dbraw/zinc/56/97/44/1034569744.db2.gz GLCBQRHLNIAHIG-LJQANCHMSA-N 1 3 354.498 2.624 20 30 FFEDHO C=CCOCCN1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221940291 1035168764 /nfs/dbraw/zinc/16/87/64/1035168764.db2.gz DJXGXGHYDXSWCR-WOJBJXKFSA-N 1 3 365.562 2.624 20 30 FFEDHO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001277840439 1036966141 /nfs/dbraw/zinc/96/61/41/1036966141.db2.gz FWHKPAOSIOZFSP-VAMGGRTRSA-N 1 3 365.562 2.501 20 30 FFEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001277840439 1036966152 /nfs/dbraw/zinc/96/61/52/1036966152.db2.gz FWHKPAOSIOZFSP-VAMGGRTRSA-N 1 3 365.562 2.501 20 30 FFEDHO N#Cc1ccc(Oc2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247829239 1039975289 /nfs/dbraw/zinc/97/52/89/1039975289.db2.gz GQVHTLFESLVOES-GOSISDBHSA-N 1 3 373.416 2.677 20 30 FFEDHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001254529192 1040782175 /nfs/dbraw/zinc/78/21/75/1040782175.db2.gz FIBNVYDRPIPOQK-IBGZPJMESA-N 1 3 355.486 2.628 20 30 FFEDHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001254529192 1040782193 /nfs/dbraw/zinc/78/21/93/1040782193.db2.gz FIBNVYDRPIPOQK-IBGZPJMESA-N 1 3 355.486 2.628 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001262971018 1041998916 /nfs/dbraw/zinc/99/89/16/1041998916.db2.gz YOLJJDBZHGEBSB-ZWKOTPCHSA-N 1 3 372.561 2.584 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001262971018 1041998921 /nfs/dbraw/zinc/99/89/21/1041998921.db2.gz YOLJJDBZHGEBSB-ZWKOTPCHSA-N 1 3 372.561 2.584 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](C[C@@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140459 1043336433 /nfs/dbraw/zinc/33/64/33/1043336433.db2.gz LSBQOIKYCQIBTE-ZVDOUQERSA-N 1 3 354.498 2.733 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](C[C@@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140459 1043336438 /nfs/dbraw/zinc/33/64/38/1043336438.db2.gz LSBQOIKYCQIBTE-ZVDOUQERSA-N 1 3 354.498 2.733 20 30 FFEDHO CC(C)CCN1CCC([NH+]2CCC(C(=O)N3CC(CC#N)C3)CC2)CC1 ZINC001280267367 1044502404 /nfs/dbraw/zinc/50/24/04/1044502404.db2.gz UQQRLDMRQULMOU-UHFFFAOYSA-N 1 3 360.546 2.581 20 30 FFEDHO C=CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@@H](c1cccs1)N(C)C ZINC001574925147 1078093645 /nfs/dbraw/zinc/09/36/45/1078093645.db2.gz IUVQMUUPZHGOAO-CVEARBPZSA-N 1 3 374.558 2.732 20 30 FFEDHO C=CC[NH+]1CCC(NCc2c(Cl)cccc2N2CCN(C)CC2)CC1 ZINC000092390574 508067234 /nfs/dbraw/zinc/06/72/34/508067234.db2.gz RHVMYQPCDLOLQL-UHFFFAOYSA-N 1 3 362.949 2.832 20 30 FFEDHO C#CCN1CCC(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000150913201 508920789 /nfs/dbraw/zinc/92/07/89/508920789.db2.gz PPMSXSDUYHUKBF-OALUTQOASA-N 1 3 367.537 2.604 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000187025536 510013669 /nfs/dbraw/zinc/01/36/69/510013669.db2.gz UZHRNOKGSFQLFN-XLIONFOSSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000187025536 510013678 /nfs/dbraw/zinc/01/36/78/510013678.db2.gz UZHRNOKGSFQLFN-XLIONFOSSA-N 1 3 372.513 2.613 20 30 FFEDHO CN1CC[NH+]=C1NC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262661105 510357348 /nfs/dbraw/zinc/35/73/48/510357348.db2.gz MXUWYHGWWNCAQF-GOEBONIOSA-N 1 3 354.420 2.979 20 30 FFEDHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000181975183 510686292 /nfs/dbraw/zinc/68/62/92/510686292.db2.gz ZVLYEAOFSMBTRV-INIZCTEOSA-N 1 3 350.466 2.700 20 30 FFEDHO Cc1ccc(NC(=[NH2+])NCc2ccccc2CN2CC[C@@H](O)C2)cc1C ZINC000272989894 511514014 /nfs/dbraw/zinc/51/40/14/511514014.db2.gz SMXKGONMJKXZJJ-HXUWFJFHSA-N 1 3 352.482 2.797 20 30 FFEDHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281674126 511927862 /nfs/dbraw/zinc/92/78/62/511927862.db2.gz UCEVWQIWSMSEIT-VQTJNVASSA-N 1 3 352.482 2.725 20 30 FFEDHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281674126 511927866 /nfs/dbraw/zinc/92/78/66/511927866.db2.gz UCEVWQIWSMSEIT-VQTJNVASSA-N 1 3 352.482 2.725 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000329692948 512087423 /nfs/dbraw/zinc/08/74/23/512087423.db2.gz AQFSJJPUYAEKCE-IKGGRYGDSA-N 1 3 359.518 2.767 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3nc[nH]c3C2)C1 ZINC000329692948 512087426 /nfs/dbraw/zinc/08/74/26/512087426.db2.gz AQFSJJPUYAEKCE-IKGGRYGDSA-N 1 3 359.518 2.767 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000329692948 512087428 /nfs/dbraw/zinc/08/74/28/512087428.db2.gz AQFSJJPUYAEKCE-IKGGRYGDSA-N 1 3 359.518 2.767 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)C1 ZINC000329692948 512087429 /nfs/dbraw/zinc/08/74/29/512087429.db2.gz AQFSJJPUYAEKCE-IKGGRYGDSA-N 1 3 359.518 2.767 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000329890275 512105708 /nfs/dbraw/zinc/10/57/08/512105708.db2.gz FZIJGTMCSIKWJF-HUUCEWRRSA-N 1 3 350.507 2.843 20 30 FFEDHO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370706068 513063423 /nfs/dbraw/zinc/06/34/23/513063423.db2.gz AEZSOAXYTIPGHT-SIKLNZKXSA-N 1 3 355.526 2.547 20 30 FFEDHO C#CCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370706068 513063427 /nfs/dbraw/zinc/06/34/27/513063427.db2.gz AEZSOAXYTIPGHT-SIKLNZKXSA-N 1 3 355.526 2.547 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415977844 513513507 /nfs/dbraw/zinc/51/35/07/513513507.db2.gz OPWSVVREFAGCMK-UHFFFAOYSA-N 1 3 351.454 2.613 20 30 FFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331385 514097100 /nfs/dbraw/zinc/09/71/00/514097100.db2.gz QRLXMSBCZAEKBI-KSZLIROESA-N 1 3 361.555 2.973 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)C(C)C ZINC000507961113 514624166 /nfs/dbraw/zinc/62/41/66/514624166.db2.gz IJUMKEWJDSHORQ-SFHVURJKSA-N 1 3 350.551 2.716 20 30 FFEDHO Cn1cc(CN2CCC(OCC[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491227971 515399416 /nfs/dbraw/zinc/39/94/16/515399416.db2.gz KXKOHSWOWAVUKN-UHFFFAOYSA-N 1 3 367.497 2.501 20 30 FFEDHO CN(CCNC(=O)C1CC[NH+](CCCCC#N)CC1)Cc1ccccc1 ZINC000494563572 515882989 /nfs/dbraw/zinc/88/29/89/515882989.db2.gz UHXOWNGEIOTGES-UHFFFAOYSA-N 1 3 356.514 2.640 20 30 FFEDHO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029265 515945016 /nfs/dbraw/zinc/94/50/16/515945016.db2.gz QDXPZCKRVPSKQN-UWJYYQICSA-N 1 3 371.529 2.673 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000558501834 516781050 /nfs/dbraw/zinc/78/10/50/516781050.db2.gz PPRNWKLRUZVZNS-QGZVFWFLSA-N 1 3 361.465 2.577 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000558501834 516781054 /nfs/dbraw/zinc/78/10/54/516781054.db2.gz PPRNWKLRUZVZNS-QGZVFWFLSA-N 1 3 361.465 2.577 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(C)C ZINC000591561212 519952240 /nfs/dbraw/zinc/95/22/40/519952240.db2.gz SDMMAYSVHZNZSB-UXHICEINSA-N 1 3 362.562 2.955 20 30 FFEDHO N#Cc1ccccc1OC[C@@H](O)CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000600718677 520421391 /nfs/dbraw/zinc/42/13/91/520421391.db2.gz QWFFYEZREDKBPD-NRFANRHFSA-N 1 3 365.477 2.684 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000602558976 521412327 /nfs/dbraw/zinc/41/23/27/521412327.db2.gz ROBVCGDPXNTDSM-IBGZPJMESA-N 1 3 362.562 2.625 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)CC2)CC1 ZINC000594296428 521543479 /nfs/dbraw/zinc/54/34/79/521543479.db2.gz NLSLFYABJHXZOL-LAUBAEHRSA-N 1 3 360.546 2.771 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000876716430 732271659 /nfs/dbraw/zinc/27/16/59/732271659.db2.gz XOJOHRVHCVCLLV-IRXDYDNUSA-N 1 3 353.894 2.664 20 30 FFEDHO C[NH+](C)[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000759978433 736607946 /nfs/dbraw/zinc/60/79/46/736607946.db2.gz VLVIRLBQDRXLTK-HUUCEWRRSA-N 1 3 356.495 2.889 20 30 FFEDHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001104322568 963291015 /nfs/dbraw/zinc/29/10/15/963291015.db2.gz RCCYHYKAGQPMBK-UIFIKXQLSA-N 1 3 370.541 2.719 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000960644552 1013438283 /nfs/dbraw/zinc/43/82/83/1013438283.db2.gz OZQIOIJUOSTZPJ-QHAWAJNXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000960644552 1013438286 /nfs/dbraw/zinc/43/82/86/1013438286.db2.gz OZQIOIJUOSTZPJ-QHAWAJNXSA-N 1 3 368.525 2.711 20 30 FFEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242628 1013443100 /nfs/dbraw/zinc/44/31/00/1013443100.db2.gz CJAPHUZTVIYUQQ-NRFANRHFSA-N 1 3 358.449 2.765 20 30 FFEDHO C=CCN1CCC(Nc2cnc(NC3CC[NH+](CC=C)CC3)cn2)CC1 ZINC000685269637 967940672 /nfs/dbraw/zinc/94/06/72/967940672.db2.gz AYZYKKOCWBUFHW-UHFFFAOYSA-N 1 3 356.518 2.601 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1cccc(C#N)c1 ZINC001087700050 968655447 /nfs/dbraw/zinc/65/54/47/968655447.db2.gz YJJIVTWBWVWUCP-LRGNLBRXSA-N 1 3 368.525 2.758 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1cccc(C#N)c1 ZINC001087700050 968655453 /nfs/dbraw/zinc/65/54/53/968655453.db2.gz YJJIVTWBWVWUCP-LRGNLBRXSA-N 1 3 368.525 2.758 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1c1ccccc1 ZINC001211640142 969498711 /nfs/dbraw/zinc/49/87/11/969498711.db2.gz ORNKPBOHUAXTEX-LEWJYISDSA-N 1 3 367.537 2.716 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178564453 977347709 /nfs/dbraw/zinc/34/77/09/977347709.db2.gz SFFLYPSTUSHGQO-QGZVFWFLSA-N 1 3 360.502 2.531 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000968867367 1014603399 /nfs/dbraw/zinc/60/33/99/1014603399.db2.gz VPSLAVHTMBQUPO-JRGCBEDISA-N 1 3 368.525 2.759 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000968867367 1014603403 /nfs/dbraw/zinc/60/34/03/1014603403.db2.gz VPSLAVHTMBQUPO-JRGCBEDISA-N 1 3 368.525 2.759 20 30 FFEDHO C#CCN(C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C1CCN(C)CC1 ZINC000914024218 987120115 /nfs/dbraw/zinc/12/01/15/987120115.db2.gz YBHYRGOMCHJRSG-UHFFFAOYSA-N 1 3 370.541 2.766 20 30 FFEDHO C#CCN(C(=O)NCc1ccccc1C[N@H+](C)C(C)C)C1CCN(C)CC1 ZINC000914024218 987120118 /nfs/dbraw/zinc/12/01/18/987120118.db2.gz YBHYRGOMCHJRSG-UHFFFAOYSA-N 1 3 370.541 2.766 20 30 FFEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666810 988609856 /nfs/dbraw/zinc/60/98/56/988609856.db2.gz WKUHRZYMXAZUHN-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079153617 991820749 /nfs/dbraw/zinc/82/07/49/991820749.db2.gz QLHUNIIGVWBBDU-ZCNNSNEGSA-N 1 3 359.489 2.626 20 30 FFEDHO C[N@@H+]1CCC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000766991166 1000094591 /nfs/dbraw/zinc/09/45/91/1000094591.db2.gz XDBHGMQRLDNLDB-VYDXJSESSA-N 1 3 368.506 2.889 20 30 FFEDHO C[N@H+]1CCC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000766991166 1000094592 /nfs/dbraw/zinc/09/45/92/1000094592.db2.gz XDBHGMQRLDNLDB-VYDXJSESSA-N 1 3 368.506 2.889 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001086613176 1003364213 /nfs/dbraw/zinc/36/42/13/1003364213.db2.gz FVQHPCADQDWDOA-BAGYTPMASA-N 1 3 367.537 2.858 20 30 FFEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001086613387 1003365159 /nfs/dbraw/zinc/36/51/59/1003365159.db2.gz RDLAVOWKLBSRAA-LEWJYISDSA-N 1 3 355.526 2.879 20 30 FFEDHO C#CCCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357390 1005810827 /nfs/dbraw/zinc/81/08/27/1005810827.db2.gz IGBADBPDAZYEOI-JOCHJYFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C#CCCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357390 1005810831 /nfs/dbraw/zinc/81/08/31/1005810831.db2.gz IGBADBPDAZYEOI-JOCHJYFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C=C(C)C1OCCC1C(=O)NCC1C[N@H+](Cc2ccc(OC)cc2)CC1C ZINC001093045960 1009674249 /nfs/dbraw/zinc/67/42/49/1009674249.db2.gz SXWHNYRSRGPQEP-LMQGHGSNSA-N 1 3 372.509 2.861 20 30 FFEDHO C=C(C)C1OCCC1C(=O)NCC1C[N@@H+](Cc2ccc(OC)cc2)CC1C ZINC001093045960 1009674257 /nfs/dbraw/zinc/67/42/57/1009674257.db2.gz SXWHNYRSRGPQEP-LMQGHGSNSA-N 1 3 372.509 2.861 20 30 FFEDHO N#CC1(C[C@H](O)CNC2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000863551743 1010252690 /nfs/dbraw/zinc/25/26/90/1010252690.db2.gz QMKFGPSGROAJKP-FQEVSTJZSA-N 1 3 363.546 2.692 20 30 FFEDHO N#CC1(C[C@H](O)C[NH2+]C2CCN(CC3CCCCC3)CC2)CCOCC1 ZINC000863551743 1010252697 /nfs/dbraw/zinc/25/26/97/1010252697.db2.gz QMKFGPSGROAJKP-FQEVSTJZSA-N 1 3 363.546 2.692 20 30 FFEDHO C[C@H]1CCCN(C(=[NH2+])NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000303909758 1012517221 /nfs/dbraw/zinc/51/72/21/1012517221.db2.gz YMKBAYINNOKNFX-FQEVSTJZSA-N 1 3 371.573 2.631 20 30 FFEDHO C[C@@H](NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000903024875 1020636479 /nfs/dbraw/zinc/63/64/79/1020636479.db2.gz OWHZNJOJKQYISE-QGZVFWFLSA-N 1 3 350.466 2.631 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001121595039 1023870997 /nfs/dbraw/zinc/87/09/97/1023870997.db2.gz HKRPSZDUBAKBFX-KRWDZBQOSA-N 1 3 360.550 2.584 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102215254 1025597174 /nfs/dbraw/zinc/59/71/74/1025597174.db2.gz NGYBGCUICACJJL-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001102215254 1025597180 /nfs/dbraw/zinc/59/71/80/1025597180.db2.gz NGYBGCUICACJJL-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO N#CC1(c2cccnc2-n2cnc(C[NH3+])c2)CCN(Cc2ccccc2)CC1 ZINC001162297183 1028495196 /nfs/dbraw/zinc/49/51/96/1028495196.db2.gz VRAXWLSABNYUMH-UHFFFAOYSA-N 1 3 372.476 2.783 20 30 FFEDHO C[NH+](C)CC1CCC(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1 ZINC001163302979 1028882534 /nfs/dbraw/zinc/88/25/34/1028882534.db2.gz FFORTZDDESWWQO-UYSNPLJNSA-N 1 3 373.501 2.958 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C(F)(F)F ZINC001112137725 1030084501 /nfs/dbraw/zinc/08/45/01/1030084501.db2.gz APMYLYNAHXQDBB-HZPDHXFCSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C(F)(F)F ZINC001112137725 1030084514 /nfs/dbraw/zinc/08/45/14/1030084514.db2.gz APMYLYNAHXQDBB-HZPDHXFCSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(CN(C)C)c3)[C@H]2C1 ZINC001219052059 1033490193 /nfs/dbraw/zinc/49/01/93/1033490193.db2.gz CLPQHEWEIUSMFN-JRGCBEDISA-N 1 3 371.525 2.628 20 30 FFEDHO C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(CN(C)C)c3)[C@H]2C1 ZINC001219052059 1033490200 /nfs/dbraw/zinc/49/02/00/1033490200.db2.gz CLPQHEWEIUSMFN-JRGCBEDISA-N 1 3 371.525 2.628 20 30 FFEDHO C[NH+](C)CC(C)(C)CN1CC[C@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001207281459 1037311047 /nfs/dbraw/zinc/31/10/47/1037311047.db2.gz DRHPOJIHFQNDKN-NRFANRHFSA-N 1 3 354.498 2.575 20 30 FFEDHO N=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC001252948364 1039848241 /nfs/dbraw/zinc/84/82/41/1039848241.db2.gz MEZTXLHFPRSAQF-JOCHJYFZSA-N 1 3 360.461 2.577 20 30 FFEDHO N=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2n1 ZINC001252948364 1039848266 /nfs/dbraw/zinc/84/82/66/1039848266.db2.gz MEZTXLHFPRSAQF-JOCHJYFZSA-N 1 3 360.461 2.577 20 30 FFEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942638 1045309092 /nfs/dbraw/zinc/30/90/92/1045309092.db2.gz CNVNOPFFRHJXFR-CEXWTWQISA-N 1 3 363.933 2.815 20 30 FFEDHO C=C(Cl)CN[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942638 1045309100 /nfs/dbraw/zinc/30/91/00/1045309100.db2.gz CNVNOPFFRHJXFR-CEXWTWQISA-N 1 3 363.933 2.815 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001343824357 1052438929 /nfs/dbraw/zinc/43/89/29/1052438929.db2.gz UQAIOFFTZCLNHJ-KZNAEPCWSA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001343824357 1052438930 /nfs/dbraw/zinc/43/89/30/1052438930.db2.gz UQAIOFFTZCLNHJ-KZNAEPCWSA-N 1 3 360.550 2.582 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001521697070 1061079870 /nfs/dbraw/zinc/07/98/70/1061079870.db2.gz FSPBKLHIFUKUQB-CEXWTWQISA-N 1 3 353.551 2.809 20 30 FFEDHO C=CC[C@@]1(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CCC[NH2+]1 ZINC001574893048 1078091067 /nfs/dbraw/zinc/09/10/67/1078091067.db2.gz NWIXBRYUSBDKOK-CTNGQTDRSA-N 1 3 359.514 2.891 20 30 FFEDHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C[N@@H+]2C1 ZINC001583966813 1079289675 /nfs/dbraw/zinc/28/96/75/1079289675.db2.gz UOBYQOHLQBQDJB-QMMLZNLJSA-N 1 3 368.525 2.569 20 30 FFEDHO C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C[N@H+]2C1 ZINC001583966813 1079289679 /nfs/dbraw/zinc/28/96/79/1079289679.db2.gz UOBYQOHLQBQDJB-QMMLZNLJSA-N 1 3 368.525 2.569 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC001563953376 1076594513 /nfs/dbraw/zinc/59/45/13/1076594513.db2.gz KOARZNDEDSTVAT-NRFANRHFSA-N 1 3 370.541 2.909 20 30 FFEDHO C[C@@H]1CN(CC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)C[C@H](C)O1 ZINC000369204023 512281123 /nfs/dbraw/zinc/28/11/23/512281123.db2.gz NDOPNQLGMRZLEL-KDURUIRLSA-N 1 3 363.546 2.908 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000106264641 508398775 /nfs/dbraw/zinc/39/87/75/508398775.db2.gz HBTGDKGLFOGEHN-NRFANRHFSA-N 1 3 370.541 2.991 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(C)C ZINC000136898654 508723953 /nfs/dbraw/zinc/72/39/53/508723953.db2.gz LQVNYKREKNNFFW-VAMGGRTRSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(C)C ZINC000136898654 508723959 /nfs/dbraw/zinc/72/39/59/508723959.db2.gz LQVNYKREKNNFFW-VAMGGRTRSA-N 1 3 362.562 2.811 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000132799321 509076703 /nfs/dbraw/zinc/07/67/03/509076703.db2.gz BERZZBXUNHHLBH-IBGZPJMESA-N 1 3 350.551 2.837 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000132799321 509076706 /nfs/dbraw/zinc/07/67/06/509076706.db2.gz BERZZBXUNHHLBH-IBGZPJMESA-N 1 3 350.551 2.837 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182621727 509338968 /nfs/dbraw/zinc/33/89/68/509338968.db2.gz LKFULTKWKQHDOX-ROUUACIJSA-N 1 3 362.562 2.979 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182621727 509338971 /nfs/dbraw/zinc/33/89/71/509338971.db2.gz LKFULTKWKQHDOX-ROUUACIJSA-N 1 3 362.562 2.979 20 30 FFEDHO N#Cc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000174279591 510037334 /nfs/dbraw/zinc/03/73/34/510037334.db2.gz OZHLBMKDJRXPJG-UHFFFAOYSA-N 1 3 352.482 2.839 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000171711900 510324469 /nfs/dbraw/zinc/32/44/69/510324469.db2.gz CREJVCJQBQNLCN-FQEVSTJZSA-N 1 3 356.514 2.773 20 30 FFEDHO C[C@@H](CCC#N)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000411328344 512582588 /nfs/dbraw/zinc/58/25/88/512582588.db2.gz JFJVJOJZVURJGH-SFHVURJKSA-N 1 3 356.514 2.639 20 30 FFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000415968248 513506929 /nfs/dbraw/zinc/50/69/29/513506929.db2.gz DWYNRLOTMXVVMM-IBGZPJMESA-N 1 3 372.513 2.989 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C(C)C ZINC000417073665 514155024 /nfs/dbraw/zinc/15/50/24/514155024.db2.gz YJHKSIJTFTXQQB-HBMCJLEFSA-N 1 3 370.541 2.821 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000424179685 514408025 /nfs/dbraw/zinc/40/80/25/514408025.db2.gz ZMZZZPCTQGEDBM-IBGZPJMESA-N 1 3 354.498 2.522 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000424179685 514408033 /nfs/dbraw/zinc/40/80/33/514408033.db2.gz ZMZZZPCTQGEDBM-IBGZPJMESA-N 1 3 354.498 2.522 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C(C)C ZINC000470755195 514594653 /nfs/dbraw/zinc/59/46/53/514594653.db2.gz KWXHZDICOKLHGD-VQTJNVASSA-N 1 3 362.562 2.812 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462036909 514843034 /nfs/dbraw/zinc/84/30/34/514843034.db2.gz HUVUYDHMNZZKFY-XLIONFOSSA-N 1 3 356.514 2.536 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462036909 514843043 /nfs/dbraw/zinc/84/30/43/514843043.db2.gz HUVUYDHMNZZKFY-XLIONFOSSA-N 1 3 356.514 2.536 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)C(C)C ZINC000457740189 516112124 /nfs/dbraw/zinc/11/21/24/516112124.db2.gz HGJTXKBXRQGXLE-OALUTQOASA-N 1 3 350.551 2.809 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)C(C)C ZINC000457740189 516112133 /nfs/dbraw/zinc/11/21/33/516112133.db2.gz HGJTXKBXRQGXLE-OALUTQOASA-N 1 3 350.551 2.809 20 30 FFEDHO CN(C)CCN1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589308847 518978564 /nfs/dbraw/zinc/97/85/64/518978564.db2.gz UHCRRRSPLDUXIT-UHFFFAOYSA-N 1 3 354.420 2.693 20 30 FFEDHO C=CCc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc(OC)c1O ZINC000574904784 519396084 /nfs/dbraw/zinc/39/60/84/519396084.db2.gz IXDZECFLLGOKPA-GHTZIAJQSA-N 1 3 360.498 2.848 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000594438133 519964051 /nfs/dbraw/zinc/96/40/51/519964051.db2.gz MLWGOQNXWOHEBG-RAFMOHDBSA-N 1 3 354.498 2.709 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000594438133 519964062 /nfs/dbraw/zinc/96/40/62/519964062.db2.gz MLWGOQNXWOHEBG-RAFMOHDBSA-N 1 3 354.498 2.709 20 30 FFEDHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)CCCCC#N)c2)CC1 ZINC000594439749 519965478 /nfs/dbraw/zinc/96/54/78/519965478.db2.gz YXYGQIHNAHVRMH-FQEVSTJZSA-N 1 3 356.514 2.946 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000594443101 519968786 /nfs/dbraw/zinc/96/87/86/519968786.db2.gz LIJVJNYEIRRZCS-PCCBWWKXSA-N 1 3 368.525 2.911 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594443101 519968798 /nfs/dbraw/zinc/96/87/98/519968798.db2.gz LIJVJNYEIRRZCS-PCCBWWKXSA-N 1 3 368.525 2.911 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000594443103 519969346 /nfs/dbraw/zinc/96/93/46/519969346.db2.gz LIJVJNYEIRRZCS-QHAWAJNXSA-N 1 3 368.525 2.911 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594443103 519969351 /nfs/dbraw/zinc/96/93/51/519969351.db2.gz LIJVJNYEIRRZCS-QHAWAJNXSA-N 1 3 368.525 2.911 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C(C)C ZINC000601255764 520709470 /nfs/dbraw/zinc/70/94/70/520709470.db2.gz QUYNLRFWZXAPEA-OALUTQOASA-N 1 3 350.551 2.857 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000876777431 732280116 /nfs/dbraw/zinc/28/01/16/732280116.db2.gz MTYRNHIQEXBLEI-DYVFJYSZSA-N 1 3 351.878 2.816 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000876777431 732280118 /nfs/dbraw/zinc/28/01/18/732280118.db2.gz MTYRNHIQEXBLEI-DYVFJYSZSA-N 1 3 351.878 2.816 20 30 FFEDHO N#Cc1ccc(N[C@@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)nc1 ZINC000903987810 736200691 /nfs/dbraw/zinc/20/06/91/736200691.db2.gz JWNSODRLDIVEIW-MRXNPFEDSA-N 1 3 353.495 2.737 20 30 FFEDHO N#Cc1ccc(N[C@H]2CCCN(Cc3cc4c(s3)CC[NH2+]C4)C2)nc1 ZINC000903987809 736200722 /nfs/dbraw/zinc/20/07/22/736200722.db2.gz JWNSODRLDIVEIW-INIZCTEOSA-N 1 3 353.495 2.737 20 30 FFEDHO C[NH+](C)[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000759978432 736607953 /nfs/dbraw/zinc/60/79/53/736607953.db2.gz VLVIRLBQDRXLTK-GJZGRUSLSA-N 1 3 356.495 2.889 20 30 FFEDHO C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001104802800 970859816 /nfs/dbraw/zinc/85/98/16/970859816.db2.gz JXHCUZACOFSSCC-WOJBJXKFSA-N 1 3 367.578 2.775 20 30 FFEDHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001087181789 965297996 /nfs/dbraw/zinc/29/79/96/965297996.db2.gz IZGQZFLKEPGNGE-LSTHTHJFSA-N 1 3 356.514 2.615 20 30 FFEDHO C=CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087469698 965302927 /nfs/dbraw/zinc/30/29/27/965302927.db2.gz RSGFZHXCPMPEAR-MISYRCLQSA-N 1 3 359.489 2.628 20 30 FFEDHO C=CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087469698 965302931 /nfs/dbraw/zinc/30/29/31/965302931.db2.gz RSGFZHXCPMPEAR-MISYRCLQSA-N 1 3 359.489 2.628 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001211615845 968027148 /nfs/dbraw/zinc/02/71/48/968027148.db2.gz JIYQNPMCHZMABS-FDFHNCONSA-N 1 3 367.537 2.572 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001211615845 968027152 /nfs/dbraw/zinc/02/71/52/968027152.db2.gz JIYQNPMCHZMABS-FDFHNCONSA-N 1 3 367.537 2.572 20 30 FFEDHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1cccc(C#N)c1 ZINC001104676842 970086491 /nfs/dbraw/zinc/08/64/91/970086491.db2.gz ZVFGKKACACJYMJ-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001104690751 970110439 /nfs/dbraw/zinc/11/04/39/970110439.db2.gz JJNZDLOUPAEYNL-RKVPGOIHSA-N 1 3 362.543 2.534 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCC2(NCC#Cc3ccc(F)cc3)CCCC2)CC[N@@H+]1C ZINC001268035774 975084897 /nfs/dbraw/zinc/08/48/97/975084897.db2.gz DYLBWWLVXXGVII-YLJYHZDGSA-N 1 3 371.500 2.536 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCC2(NCC#Cc3ccc(F)cc3)CCCC2)CC[N@H+]1C ZINC001268035774 975084901 /nfs/dbraw/zinc/08/49/01/975084901.db2.gz DYLBWWLVXXGVII-YLJYHZDGSA-N 1 3 371.500 2.536 20 30 FFEDHO C[NH+]=C(NCCN(C)C1CCCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261661323 977443017 /nfs/dbraw/zinc/44/30/17/977443017.db2.gz AUHJIPIOQHJSMD-PKOBYXMFSA-N 1 3 360.550 2.606 20 30 FFEDHO COCCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879127071 1015376078 /nfs/dbraw/zinc/37/60/78/1015376078.db2.gz QJZBNPWBTLGGNG-JOCHJYFZSA-N 1 3 371.525 2.717 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079151541 991816183 /nfs/dbraw/zinc/81/61/83/991816183.db2.gz YGGAPFGNCXZYLX-HBMCJLEFSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079151541 991816188 /nfs/dbraw/zinc/81/61/88/991816188.db2.gz YGGAPFGNCXZYLX-HBMCJLEFSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)CC[C@H]1c1ccc(F)cc1 ZINC001079162533 991869152 /nfs/dbraw/zinc/86/91/52/991869152.db2.gz OVPJCNPRKVPRIZ-PWRODBHTSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131583000 994428480 /nfs/dbraw/zinc/42/84/80/994428480.db2.gz KPQLUPRRTIYJMI-DSKINZAPSA-N 1 3 365.562 2.669 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C)c3)C2)CC1 ZINC001086882571 1001300293 /nfs/dbraw/zinc/30/02/93/1001300293.db2.gz XZHFSSOSNVHPQN-RBBKRZOGSA-N 1 3 367.537 2.715 20 30 FFEDHO C[C@H](CCCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861347 1007539052 /nfs/dbraw/zinc/53/90/52/1007539052.db2.gz CZTNGJFLCUPEHB-MBOZVWFJSA-N 1 3 356.514 2.663 20 30 FFEDHO C[C@H](CCCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861347 1007539058 /nfs/dbraw/zinc/53/90/58/1007539058.db2.gz CZTNGJFLCUPEHB-MBOZVWFJSA-N 1 3 356.514 2.663 20 30 FFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136582509 1008546264 /nfs/dbraw/zinc/54/62/64/1008546264.db2.gz FPPRCYDJWPACDX-HBGVWJBISA-N 1 3 357.498 2.835 20 30 FFEDHO N#CC(Cc1cccs1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001177917943 1008788022 /nfs/dbraw/zinc/78/80/22/1008788022.db2.gz NMWHUYNJJSPEHI-GOSISDBHSA-N 1 3 368.506 2.854 20 30 FFEDHO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H](N)CCCC#N)CCCCC1 ZINC000714217626 1010157895 /nfs/dbraw/zinc/15/78/95/1010157895.db2.gz NBVWYYLTIHAEAB-LJQANCHMSA-N 1 3 356.514 2.959 20 30 FFEDHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H](N)CCCC#N)CCCCC1 ZINC000714217626 1010157903 /nfs/dbraw/zinc/15/79/03/1010157903.db2.gz NBVWYYLTIHAEAB-LJQANCHMSA-N 1 3 356.514 2.959 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC(=C)C)CC3)CC1 ZINC001094581395 1011262075 /nfs/dbraw/zinc/26/20/75/1011262075.db2.gz AONGOXOZZQZXLA-IFMALSPDSA-N 1 3 357.542 2.659 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC(=C)C)CC3)CC1 ZINC001094581395 1011262089 /nfs/dbraw/zinc/26/20/89/1011262089.db2.gz AONGOXOZZQZXLA-IFMALSPDSA-N 1 3 357.542 2.659 20 30 FFEDHO CN1CCN(CCCNC(=[NH2+])NC2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000303889433 1012500825 /nfs/dbraw/zinc/50/08/25/1012500825.db2.gz LVZUEMQIGLUAJW-HXUWFJFHSA-N 1 3 357.546 2.602 20 30 FFEDHO CCOc1cccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)c1OC(F)F ZINC000305030902 1013033325 /nfs/dbraw/zinc/03/33/25/1013033325.db2.gz QXSVYNYSHQEMON-CQSZACIVSA-N 1 3 370.444 2.575 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C/CCC)CC1 ZINC001111455034 1017941428 /nfs/dbraw/zinc/94/14/28/1017941428.db2.gz JIOFNUONSZZHEW-ICFISGCASA-N 1 3 357.542 2.800 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C/CCC)CC1 ZINC001111455034 1017941438 /nfs/dbraw/zinc/94/14/38/1017941438.db2.gz JIOFNUONSZZHEW-ICFISGCASA-N 1 3 357.542 2.800 20 30 FFEDHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101284038 1024324060 /nfs/dbraw/zinc/32/40/60/1024324060.db2.gz JVWYFOKMVKKDFB-KNQAVFIVSA-N 1 3 368.525 2.569 20 30 FFEDHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101284038 1024324073 /nfs/dbraw/zinc/32/40/73/1024324073.db2.gz JVWYFOKMVKKDFB-KNQAVFIVSA-N 1 3 368.525 2.569 20 30 FFEDHO N#Cc1c(NC(=O)[C@H]2C[NH2+]C[C@H](c3ccccc3)C2)sc2c1CCNC2 ZINC001218554970 1033219597 /nfs/dbraw/zinc/21/95/97/1033219597.db2.gz XKUXENOEJXMVOG-HUUCEWRRSA-N 1 3 366.490 2.597 20 30 FFEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102373215 1025835337 /nfs/dbraw/zinc/83/53/37/1025835337.db2.gz YVOYZTDISOAAEJ-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102373215 1025835355 /nfs/dbraw/zinc/83/53/55/1025835355.db2.gz YVOYZTDISOAAEJ-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375355 1025845899 /nfs/dbraw/zinc/84/58/99/1025845899.db2.gz DQESPGFRQWMERD-YLJYHZDGSA-N 1 3 370.541 2.720 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375355 1025845917 /nfs/dbraw/zinc/84/59/17/1025845917.db2.gz DQESPGFRQWMERD-YLJYHZDGSA-N 1 3 370.541 2.720 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1F ZINC001205659495 1031912503 /nfs/dbraw/zinc/91/25/03/1031912503.db2.gz JFJZFJASFRCZJV-PKOBYXMFSA-N 1 3 356.445 2.642 20 30 FFEDHO C=CCCCCCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052169 1033491105 /nfs/dbraw/zinc/49/11/05/1033491105.db2.gz JEVSMQYHWBRFAQ-VQTJNVASSA-N 1 3 363.546 2.520 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073770 1033972410 /nfs/dbraw/zinc/97/24/10/1033972410.db2.gz LRDIOCSCRSWFSV-UXHICEINSA-N 1 3 367.578 2.773 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073770 1033972420 /nfs/dbraw/zinc/97/24/20/1033972420.db2.gz LRDIOCSCRSWFSV-UXHICEINSA-N 1 3 367.578 2.773 20 30 FFEDHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001226783461 1034837888 /nfs/dbraw/zinc/83/78/88/1034837888.db2.gz ZMVIURBVKRFETM-IAGOWNOFSA-N 1 3 360.527 2.621 20 30 FFEDHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C ZINC001227057181 1034922244 /nfs/dbraw/zinc/92/22/44/1034922244.db2.gz PSHFHWCZCWYYBU-GUDVDZBRSA-N 1 3 360.477 2.555 20 30 FFEDHO N#Cc1cc(F)ccc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278749953 1040458282 /nfs/dbraw/zinc/45/82/82/1040458282.db2.gz SROFXJJLFDERQP-HDICACEKSA-N 1 3 353.445 2.764 20 30 FFEDHO N#Cc1cc(F)ccc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001278749953 1040458287 /nfs/dbraw/zinc/45/82/87/1040458287.db2.gz SROFXJJLFDERQP-HDICACEKSA-N 1 3 353.445 2.764 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCCN2CC#Cc2ccccc2)CC[N@@H+]1C ZINC001266214993 1042901625 /nfs/dbraw/zinc/90/16/25/1042901625.db2.gz HCWBPLQUISMYRV-BAGYTPMASA-N 1 3 367.537 2.739 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCCN2CC#Cc2ccccc2)CC[N@H+]1C ZINC001266214993 1042901629 /nfs/dbraw/zinc/90/16/29/1042901629.db2.gz HCWBPLQUISMYRV-BAGYTPMASA-N 1 3 367.537 2.739 20 30 FFEDHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001279311991 1042995508 /nfs/dbraw/zinc/99/55/08/1042995508.db2.gz GVVCIYIMNYFYBM-FQEVSTJZSA-N 1 3 362.468 2.686 20 30 FFEDHO CC(C)N(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001575681496 1078163354 /nfs/dbraw/zinc/16/33/54/1078163354.db2.gz NGHGJNUJOGFIFK-OAQYLSRUSA-N 1 3 353.510 2.501 20 30 FFEDHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000073705456 507947097 /nfs/dbraw/zinc/94/70/97/507947097.db2.gz ODKHQKOWMRMZQY-UHFFFAOYSA-N 1 3 356.514 2.569 20 30 FFEDHO C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000158196436 508670551 /nfs/dbraw/zinc/67/05/51/508670551.db2.gz KCQQIPVPSSGIEP-HIFRSBDPSA-N 1 3 361.515 2.797 20 30 FFEDHO C#CCN1CCC(C(=O)NC2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000150913163 508921103 /nfs/dbraw/zinc/92/11/03/508921103.db2.gz PPMSXSDUYHUKBF-QIDMFYOTSA-N 1 3 367.537 2.604 20 30 FFEDHO C#CCN1CCC(C(=O)NC2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000150913163 508921108 /nfs/dbraw/zinc/92/11/08/508921108.db2.gz PPMSXSDUYHUKBF-QIDMFYOTSA-N 1 3 367.537 2.604 20 30 FFEDHO Cc1ccc(C#N)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120233693 508954932 /nfs/dbraw/zinc/95/49/32/508954932.db2.gz ITUBCCVGFXLDRX-UHFFFAOYSA-N 1 3 355.486 2.547 20 30 FFEDHO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248404160 509299209 /nfs/dbraw/zinc/29/92/09/509299209.db2.gz ZXTZTCHKVUIABH-PSHVLCQKSA-N 1 3 370.541 2.741 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000245678832 510079031 /nfs/dbraw/zinc/07/90/31/510079031.db2.gz GFAKZSGNXBZNJA-CEXWTWQISA-N 1 3 350.551 2.809 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000245678832 510079037 /nfs/dbraw/zinc/07/90/37/510079037.db2.gz GFAKZSGNXBZNJA-CEXWTWQISA-N 1 3 350.551 2.809 20 30 FFEDHO C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000292428083 511593343 /nfs/dbraw/zinc/59/33/43/511593343.db2.gz QLURTIANZOSABF-QFBILLFUSA-N 1 3 350.466 2.573 20 30 FFEDHO C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000292428083 511593345 /nfs/dbraw/zinc/59/33/45/511593345.db2.gz QLURTIANZOSABF-QFBILLFUSA-N 1 3 350.466 2.573 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cnc4c(c3)CCCC4)CC2)CC1 ZINC000328612889 511893253 /nfs/dbraw/zinc/89/32/53/511893253.db2.gz PWMQMGXYJUDKSU-UHFFFAOYSA-N 1 3 371.529 2.845 20 30 FFEDHO C[C@H](C(=O)N(C)CCC#N)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293326916 511924006 /nfs/dbraw/zinc/92/40/06/511924006.db2.gz MJWCWHFYWZSOMK-LJQANCHMSA-N 1 3 368.525 2.735 20 30 FFEDHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281674114 511927887 /nfs/dbraw/zinc/92/78/87/511927887.db2.gz UCEVWQIWSMSEIT-PMACEKPBSA-N 1 3 352.482 2.725 20 30 FFEDHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281674114 511927891 /nfs/dbraw/zinc/92/78/91/511927891.db2.gz UCEVWQIWSMSEIT-PMACEKPBSA-N 1 3 352.482 2.725 20 30 FFEDHO C(#CC[N@@H+]1CCCC2(CCOCC2)C1)CN1CCCC2(CCOCC2)C1 ZINC000367447711 512502753 /nfs/dbraw/zinc/50/27/53/512502753.db2.gz KOXSNEXKCXHHRK-UHFFFAOYSA-N 1 3 360.542 2.775 20 30 FFEDHO C(#CC[N@H+]1CCCC2(CCOCC2)C1)CN1CCCC2(CCOCC2)C1 ZINC000367447711 512502755 /nfs/dbraw/zinc/50/27/55/512502755.db2.gz KOXSNEXKCXHHRK-UHFFFAOYSA-N 1 3 360.542 2.775 20 30 FFEDHO CN(CCC#N)C(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367495557 512530010 /nfs/dbraw/zinc/53/00/10/512530010.db2.gz OSDBWUSMPNAUQR-JOCHJYFZSA-N 1 3 368.525 2.737 20 30 FFEDHO CN(CCC#N)C(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367495557 512530013 /nfs/dbraw/zinc/53/00/13/512530013.db2.gz OSDBWUSMPNAUQR-JOCHJYFZSA-N 1 3 368.525 2.737 20 30 FFEDHO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412174619 512986184 /nfs/dbraw/zinc/98/61/84/512986184.db2.gz NLBOLAVZGNDOHC-UHFFFAOYSA-N 1 3 356.514 2.980 20 30 FFEDHO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414347425 514059144 /nfs/dbraw/zinc/05/91/44/514059144.db2.gz WHCQUYNANCGVKE-ICSRJNTNSA-N 1 3 354.498 2.556 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)CC1 ZINC000420979818 514415243 /nfs/dbraw/zinc/41/52/43/514415243.db2.gz KRCJGCMHCQNCNH-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)CC1 ZINC000420979818 514415253 /nfs/dbraw/zinc/41/52/53/514415253.db2.gz KRCJGCMHCQNCNH-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)CC1 ZINC000420979818 514415258 /nfs/dbraw/zinc/41/52/58/514415258.db2.gz KRCJGCMHCQNCNH-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO C=CCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000415139544 514464475 /nfs/dbraw/zinc/46/44/75/514464475.db2.gz ZURQRUJOSSLILW-NQIIRXRSSA-N 1 3 360.498 2.978 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)C(C)C ZINC000480542832 514993905 /nfs/dbraw/zinc/99/39/05/514993905.db2.gz ARAALSISYPOURC-XUVXKRRUSA-N 1 3 362.562 2.953 20 30 FFEDHO CC(C)N1CCN(C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)CC1 ZINC000499586149 515378453 /nfs/dbraw/zinc/37/84/53/515378453.db2.gz ABIBREUETGQDMS-UHFFFAOYSA-N 1 3 362.562 2.577 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)C(C)C ZINC000510352169 515513189 /nfs/dbraw/zinc/51/31/89/515513189.db2.gz SUYXEZVWYLRXED-LJQANCHMSA-N 1 3 362.562 2.955 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)C(C)C ZINC000457740191 516112865 /nfs/dbraw/zinc/11/28/65/516112865.db2.gz HGJTXKBXRQGXLE-RBUKOAKNSA-N 1 3 350.551 2.809 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)C(C)C ZINC000457740191 516112876 /nfs/dbraw/zinc/11/28/76/516112876.db2.gz HGJTXKBXRQGXLE-RBUKOAKNSA-N 1 3 350.551 2.809 20 30 FFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000576976664 518857490 /nfs/dbraw/zinc/85/74/90/518857490.db2.gz JIHFZFRVZNARLE-MSOLQXFVSA-N 1 3 366.431 2.751 20 30 FFEDHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609137202 520203807 /nfs/dbraw/zinc/20/38/07/520203807.db2.gz RDVWWFSDBABTQQ-FQEVSTJZSA-N 1 3 359.514 2.545 20 30 FFEDHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609137202 520203812 /nfs/dbraw/zinc/20/38/12/520203812.db2.gz RDVWWFSDBABTQQ-FQEVSTJZSA-N 1 3 359.514 2.545 20 30 FFEDHO N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000600747462 520444915 /nfs/dbraw/zinc/44/49/15/520444915.db2.gz XNMKGQNTVMHGIU-VQTJNVASSA-N 1 3 353.510 2.933 20 30 FFEDHO COc1ccc([C@H](C[NH3+])CNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595908499 520813556 /nfs/dbraw/zinc/81/35/56/520813556.db2.gz IOZUSXQFXSAMPX-LJQANCHMSA-N 1 3 365.477 2.905 20 30 FFEDHO COc1ccc([C@H](CN)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595908499 520813567 /nfs/dbraw/zinc/81/35/67/520813567.db2.gz IOZUSXQFXSAMPX-LJQANCHMSA-N 1 3 365.477 2.905 20 30 FFEDHO CC1([NH+]2CCCC2)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000601740989 520929155 /nfs/dbraw/zinc/92/91/55/520929155.db2.gz YXSZYNVZKGERDH-LJQANCHMSA-N 1 3 350.466 2.717 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000606641469 521121034 /nfs/dbraw/zinc/12/10/34/521121034.db2.gz BAWXMFKBSKLVFU-MJGOQNOKSA-N 1 3 350.551 2.715 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000594303387 521548548 /nfs/dbraw/zinc/54/85/48/521548548.db2.gz AYHXQAALLJPHCU-KRWDZBQOSA-N 1 3 368.525 2.932 20 30 FFEDHO C#C[C@H](NC(=[NH2+])NC[C@H]1CCCN1CC)c1ccc(Br)cc1 ZINC000263062297 729678072 /nfs/dbraw/zinc/67/80/72/729678072.db2.gz FQOXQERWLGEZHX-CVEARBPZSA-N 1 3 363.303 2.512 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000876940964 732299833 /nfs/dbraw/zinc/29/98/33/732299833.db2.gz CGKIQKMIDVRUGB-KRWDZBQOSA-N 1 3 350.894 2.616 20 30 FFEDHO C=CC[C@@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCC[NH2+]1 ZINC000662733922 732350718 /nfs/dbraw/zinc/35/07/18/732350718.db2.gz XJCJADMPPAJUOI-IBGZPJMESA-N 1 3 351.560 2.553 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001104863526 971039712 /nfs/dbraw/zinc/03/97/12/971039712.db2.gz SOOBFDUKAPXDCA-CRAIPNDOSA-N 1 3 355.954 2.934 20 30 FFEDHO C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001075420903 963940514 /nfs/dbraw/zinc/94/05/14/963940514.db2.gz AHQKOSSBMSKTFJ-KRZXBLKESA-N 1 3 373.516 2.874 20 30 FFEDHO C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001075420903 963940519 /nfs/dbraw/zinc/94/05/19/963940519.db2.gz AHQKOSSBMSKTFJ-KRZXBLKESA-N 1 3 373.516 2.874 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001211627706 968423220 /nfs/dbraw/zinc/42/32/20/968423220.db2.gz OORAFYLNSLBIFQ-BHDDXSALSA-N 1 3 367.537 2.714 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001211627706 968423226 /nfs/dbraw/zinc/42/32/26/968423226.db2.gz OORAFYLNSLBIFQ-BHDDXSALSA-N 1 3 367.537 2.714 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1cccc(C#N)c1 ZINC001087750211 968893263 /nfs/dbraw/zinc/89/32/63/968893263.db2.gz YLGZIURQCOYGSJ-LEWJYISDSA-N 1 3 368.525 2.759 20 30 FFEDHO C=CC[C@]1(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CCC[NH2+]1 ZINC000662669625 975808990 /nfs/dbraw/zinc/80/89/90/975808990.db2.gz GRWGFTZKPLPDAF-TZIWHRDSSA-N 1 3 359.514 2.893 20 30 FFEDHO C#CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000913890809 987004089 /nfs/dbraw/zinc/00/40/89/987004089.db2.gz BTEMIJUEPZMMME-GOSISDBHSA-N 1 3 374.554 2.624 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC001034649579 990152718 /nfs/dbraw/zinc/15/27/18/990152718.db2.gz LHVAZJGVNHYNAM-XSDIEEQYSA-N 1 3 368.525 2.806 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001034649579 990152725 /nfs/dbraw/zinc/15/27/25/990152725.db2.gz LHVAZJGVNHYNAM-XSDIEEQYSA-N 1 3 368.525 2.806 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC[C@H]1c1ccc(F)cc1 ZINC001079152626 991817567 /nfs/dbraw/zinc/81/75/67/991817567.db2.gz WELZIJIEEXTDCQ-HBMCJLEFSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC[C@H]1c1ccc(F)cc1 ZINC001079152626 991817577 /nfs/dbraw/zinc/81/75/77/991817577.db2.gz WELZIJIEEXTDCQ-HBMCJLEFSA-N 1 3 371.500 2.607 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187695 991898727 /nfs/dbraw/zinc/89/87/27/991898727.db2.gz URLSAZLFGGBDDW-XUVXKRRUSA-N 1 3 359.489 2.626 20 30 FFEDHO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(C#N)cn1)CC2 ZINC001144157360 998070896 /nfs/dbraw/zinc/07/08/96/998070896.db2.gz FHWHEHHJBRMDOD-IBGZPJMESA-N 1 3 366.465 2.802 20 30 FFEDHO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(C#N)cn1)CC2 ZINC001144157360 998070904 /nfs/dbraw/zinc/07/09/04/998070904.db2.gz FHWHEHHJBRMDOD-IBGZPJMESA-N 1 3 366.465 2.802 20 30 FFEDHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085217807 999185538 /nfs/dbraw/zinc/18/55/38/999185538.db2.gz RPEWDHVEDKAWLJ-NJYVYQBISA-N 1 3 368.525 2.950 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086882852 1001301287 /nfs/dbraw/zinc/30/12/87/1001301287.db2.gz PUKDEIWEGOTZTM-IOMROCGXSA-N 1 3 368.525 2.807 20 30 FFEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947590 1002146327 /nfs/dbraw/zinc/14/63/27/1002146327.db2.gz LCHFKJGBSHCEAA-UZKOGDIHSA-N 1 3 357.542 2.587 20 30 FFEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947590 1002146336 /nfs/dbraw/zinc/14/63/36/1002146336.db2.gz LCHFKJGBSHCEAA-UZKOGDIHSA-N 1 3 357.542 2.587 20 30 FFEDHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086711779 1005957919 /nfs/dbraw/zinc/95/79/19/1005957919.db2.gz AYYORSIMYFSUQZ-HBMCJLEFSA-N 1 3 368.525 2.807 20 30 FFEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189771628 1007265902 /nfs/dbraw/zinc/26/59/02/1007265902.db2.gz PEGPEEUESZADLZ-VQTJNVASSA-N 1 3 365.562 2.624 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000104193897 1009936479 /nfs/dbraw/zinc/93/64/79/1009936479.db2.gz NHJNAXWRRQPMAS-KRWDZBQOSA-N 1 3 374.529 2.905 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2C)CC1 ZINC001093223767 1010167141 /nfs/dbraw/zinc/16/71/41/1010167141.db2.gz GQSIANGERFHCRO-DENIHFKCSA-N 1 3 371.569 2.906 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2C)CC1 ZINC001093223767 1010167152 /nfs/dbraw/zinc/16/71/52/1010167152.db2.gz GQSIANGERFHCRO-DENIHFKCSA-N 1 3 371.569 2.906 20 30 FFEDHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990822 1012128875 /nfs/dbraw/zinc/12/88/75/1012128875.db2.gz RQIDRAJRXBYVMC-XDNAFOTISA-N 1 3 362.518 2.552 20 30 FFEDHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990822 1012128887 /nfs/dbraw/zinc/12/88/87/1012128887.db2.gz RQIDRAJRXBYVMC-XDNAFOTISA-N 1 3 362.518 2.552 20 30 FFEDHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172982022 1012152100 /nfs/dbraw/zinc/15/21/00/1012152100.db2.gz RGODPFUKCAZYEG-HZMVEIRTSA-N 1 3 350.507 2.740 20 30 FFEDHO C=C(C)CN1CCc2c(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)cccc2C1 ZINC001051289892 1017267925 /nfs/dbraw/zinc/26/79/25/1017267925.db2.gz OGBMMAAJSJCYEA-LEWJYISDSA-N 1 3 355.526 2.967 20 30 FFEDHO C=C(C)CN1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)cccc2C1 ZINC001051289892 1017267933 /nfs/dbraw/zinc/26/79/33/1017267933.db2.gz OGBMMAAJSJCYEA-LEWJYISDSA-N 1 3 355.526 2.967 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217860634 1032892085 /nfs/dbraw/zinc/89/20/85/1032892085.db2.gz FGZFHPPZOFFOKM-HSALFYBXSA-N 1 3 365.562 2.741 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001217860634 1032892096 /nfs/dbraw/zinc/89/20/96/1032892096.db2.gz FGZFHPPZOFFOKM-HSALFYBXSA-N 1 3 365.562 2.741 20 30 FFEDHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159590279 1027440055 /nfs/dbraw/zinc/44/00/55/1027440055.db2.gz NBDXWQWEIQAVHI-AWEZNQCLSA-N 1 3 358.449 2.861 20 30 FFEDHO C#CCN(C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC ZINC001160103113 1027591486 /nfs/dbraw/zinc/59/14/86/1027591486.db2.gz JSBMPZQTHOLSQA-NHCUHLMSSA-N 1 3 355.526 2.606 20 30 FFEDHO C#CCN(C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC001160103113 1027591490 /nfs/dbraw/zinc/59/14/90/1027591490.db2.gz JSBMPZQTHOLSQA-NHCUHLMSSA-N 1 3 355.526 2.606 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001158032209 1029712310 /nfs/dbraw/zinc/71/23/10/1029712310.db2.gz RNCYADXKZQWZQV-TZIWHRDSSA-N 1 3 354.498 2.721 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCCCC)C3)CC1 ZINC001112003974 1029852188 /nfs/dbraw/zinc/85/21/88/1029852188.db2.gz INOAAJCGQZRJAV-UNMCSNQZSA-N 1 3 359.558 2.883 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCCCC)C3)CC1 ZINC001112003974 1029852194 /nfs/dbraw/zinc/85/21/94/1029852194.db2.gz INOAAJCGQZRJAV-UNMCSNQZSA-N 1 3 359.558 2.883 20 30 FFEDHO C#CCOc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000840969970 1029951813 /nfs/dbraw/zinc/95/18/13/1029951813.db2.gz NISJGKWJEYZMNB-UHFFFAOYSA-N 1 3 364.489 2.815 20 30 FFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113326 1030034034 /nfs/dbraw/zinc/03/40/34/1030034034.db2.gz OLDRRVKASFRJAD-RBSFLKMASA-N 1 3 361.452 2.804 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205434393 1031741738 /nfs/dbraw/zinc/74/17/38/1031741738.db2.gz GRCBWJRGBDKEAO-LSTHTHJFSA-N 1 3 359.489 2.628 20 30 FFEDHO C#CC[C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000829779141 1033332387 /nfs/dbraw/zinc/33/23/87/1033332387.db2.gz OGYPNTDGRXAWAD-HXUWFJFHSA-N 1 3 353.510 2.634 20 30 FFEDHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(F)cc2)CCC1 ZINC001226781758 1034836037 /nfs/dbraw/zinc/83/60/37/1034836037.db2.gz AMFUGSKGLRRHBF-WOJBJXKFSA-N 1 3 371.500 2.679 20 30 FFEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1CC[C@@H](C#N)C1 ZINC001227159671 1034955280 /nfs/dbraw/zinc/95/52/80/1034955280.db2.gz JHVUSQZWBINZEZ-OXQOHEQNSA-N 1 3 358.530 2.942 20 30 FFEDHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001229231785 1036565381 /nfs/dbraw/zinc/56/53/81/1036565381.db2.gz VIDKFQRYVUMZGA-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC001230286346 1037196428 /nfs/dbraw/zinc/19/64/28/1037196428.db2.gz JYMZDULNPDWIEJ-AQNXPRMDSA-N 1 3 365.562 2.717 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](CCC(F)(F)F)C[C@H]3CC2)cc1C#N ZINC001278459126 1039422222 /nfs/dbraw/zinc/42/22/22/1039422222.db2.gz UBZWSDPBVIKEMQ-IYBDPMFKSA-N 1 3 354.420 2.993 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](CCC(F)(F)F)C[C@H]3CC2)cc1C#N ZINC001278459126 1039422230 /nfs/dbraw/zinc/42/22/30/1039422230.db2.gz UBZWSDPBVIKEMQ-IYBDPMFKSA-N 1 3 354.420 2.993 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655712 1040763365 /nfs/dbraw/zinc/76/33/65/1040763365.db2.gz ZCTYQNNSALQERK-WOJBJXKFSA-N 1 3 367.578 2.893 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cc1 ZINC001334080903 1049236592 /nfs/dbraw/zinc/23/65/92/1049236592.db2.gz CAPZPEQAUVGCAT-RXVVDRJESA-N 1 3 371.525 2.723 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC001334080903 1049236602 /nfs/dbraw/zinc/23/66/02/1049236602.db2.gz CAPZPEQAUVGCAT-RXVVDRJESA-N 1 3 371.525 2.723 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001346526219 1053072236 /nfs/dbraw/zinc/07/22/36/1053072236.db2.gz GXBAURXWKMSDMH-GOSISDBHSA-N 1 3 372.561 2.728 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001346526219 1053072240 /nfs/dbraw/zinc/07/22/40/1053072240.db2.gz GXBAURXWKMSDMH-GOSISDBHSA-N 1 3 372.561 2.728 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCNCc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001495355760 1063483786 /nfs/dbraw/zinc/48/37/86/1063483786.db2.gz HMMIXGKIJSMULF-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCNCc3ccccc3C#N)C2)CC[N@H+]1C ZINC001495355760 1063483791 /nfs/dbraw/zinc/48/37/91/1063483791.db2.gz HMMIXGKIJSMULF-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)C(C)C ZINC001467660303 1063810325 /nfs/dbraw/zinc/81/03/25/1063810325.db2.gz MVPFEOWUOPGVOS-AZUAARDMSA-N 1 3 362.562 2.811 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccccc2OCC[NH+](CC)CC)CC1 ZINC000067200170 506791062 /nfs/dbraw/zinc/79/10/62/506791062.db2.gz UPSRWWXQFYFTKT-UHFFFAOYSA-N 1 3 357.498 2.691 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000050027114 507652492 /nfs/dbraw/zinc/65/24/92/507652492.db2.gz NPCWORPDKGKWQR-NRFANRHFSA-N 1 3 371.525 2.540 20 30 FFEDHO COc1ccc(NC(=[NH2+])NCc2ccc(OCCN(C)C)cc2)cc1OC ZINC000104162983 508329517 /nfs/dbraw/zinc/32/95/17/508329517.db2.gz RLBGQJPDPHNGMO-UHFFFAOYSA-N 1 3 372.469 2.571 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000106263875 508398633 /nfs/dbraw/zinc/39/86/33/508398633.db2.gz HULGESUUDRAKJG-SFHVURJKSA-N 1 3 350.551 2.981 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000106263875 508398634 /nfs/dbraw/zinc/39/86/34/508398634.db2.gz HULGESUUDRAKJG-SFHVURJKSA-N 1 3 350.551 2.981 20 30 FFEDHO CN(CCC#N)c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136567612 508701259 /nfs/dbraw/zinc/70/12/59/508701259.db2.gz PFZJUMHVSCISFJ-VXKWHMMOSA-N 1 3 370.541 2.894 20 30 FFEDHO COc1cc(C#N)ccc1OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173954687 509873416 /nfs/dbraw/zinc/87/34/16/509873416.db2.gz RIHDDDQEIKISAI-UHFFFAOYSA-N 1 3 373.497 2.522 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000171715413 510328260 /nfs/dbraw/zinc/32/82/60/510328260.db2.gz XOJSLGNBEUQJRR-HXUWFJFHSA-N 1 3 356.514 2.601 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000263779192 510837722 /nfs/dbraw/zinc/83/77/22/510837722.db2.gz VJFNOVKJSHDNHM-UHFFFAOYSA-N 1 3 367.537 2.880 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272288626 511490760 /nfs/dbraw/zinc/49/07/60/511490760.db2.gz FIFHNLOJTMAQGC-AZUAARDMSA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272288626 511490763 /nfs/dbraw/zinc/49/07/63/511490763.db2.gz FIFHNLOJTMAQGC-AZUAARDMSA-N 1 3 370.541 2.847 20 30 FFEDHO CC(C)C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000280760942 511591665 /nfs/dbraw/zinc/59/16/65/511591665.db2.gz CRJCLDPJENQPLW-PMACEKPBSA-N 1 3 352.482 2.867 20 30 FFEDHO C#CC[NH+]1CCC(C(=O)Nc2ccc(CN3CCSCC3)cc2C)CC1 ZINC000299708976 511667266 /nfs/dbraw/zinc/66/72/66/511667266.db2.gz OPJJTMKMPUXYFR-UHFFFAOYSA-N 1 3 371.550 2.828 20 30 FFEDHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292937539 511778030 /nfs/dbraw/zinc/77/80/30/511778030.db2.gz JPQOYKPRIVVPRR-LJQANCHMSA-N 1 3 360.889 2.958 20 30 FFEDHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292937539 511778034 /nfs/dbraw/zinc/77/80/34/511778034.db2.gz JPQOYKPRIVVPRR-LJQANCHMSA-N 1 3 360.889 2.958 20 30 FFEDHO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370706065 513063539 /nfs/dbraw/zinc/06/35/39/513063539.db2.gz AEZSOAXYTIPGHT-DENIHFKCSA-N 1 3 355.526 2.547 20 30 FFEDHO C#CCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370706065 513063542 /nfs/dbraw/zinc/06/35/42/513063542.db2.gz AEZSOAXYTIPGHT-DENIHFKCSA-N 1 3 355.526 2.547 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417062953 514149119 /nfs/dbraw/zinc/14/91/19/514149119.db2.gz NAUUDIODXKVAIQ-VQTJNVASSA-N 1 3 362.562 2.716 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475453791 514670373 /nfs/dbraw/zinc/67/03/73/514670373.db2.gz ZLDYVHJCNSTELT-RTWAWAEBSA-N 1 3 370.541 2.948 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475453791 514670377 /nfs/dbraw/zinc/67/03/77/514670377.db2.gz ZLDYVHJCNSTELT-RTWAWAEBSA-N 1 3 370.541 2.948 20 30 FFEDHO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029262 515945467 /nfs/dbraw/zinc/94/54/67/515945467.db2.gz QDXPZCKRVPSKQN-DYESRHJHSA-N 1 3 371.529 2.673 20 30 FFEDHO C=CCc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc(OC)c1O ZINC000574904785 519395471 /nfs/dbraw/zinc/39/54/71/519395471.db2.gz IXDZECFLLGOKPA-NQIIRXRSSA-N 1 3 360.498 2.848 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000592294760 520321346 /nfs/dbraw/zinc/32/13/46/520321346.db2.gz NFMZOPVWUHFYNY-UHFFFAOYSA-N 1 3 350.551 2.838 20 30 FFEDHO C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000614178413 520838894 /nfs/dbraw/zinc/83/88/94/520838894.db2.gz AOCIEMOXONBSAT-WIYYLYMNSA-N 1 3 354.542 2.946 20 30 FFEDHO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C#N)c(N[C@H]2CCN(C3CC3)C2)n1 ZINC000596090395 520905844 /nfs/dbraw/zinc/90/58/44/520905844.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 1 3 366.513 2.559 20 30 FFEDHO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@H]2CCN(C3CC3)C2)n1 ZINC000596090395 520905846 /nfs/dbraw/zinc/90/58/46/520905846.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 1 3 366.513 2.559 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(F)cc(C#N)c3)CC2)CC1 ZINC000601711897 520916507 /nfs/dbraw/zinc/91/65/07/520916507.db2.gz RSNXQBZUZZFFDZ-UHFFFAOYSA-N 1 3 358.461 2.832 20 30 FFEDHO CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302696 521138850 /nfs/dbraw/zinc/13/88/50/521138850.db2.gz JCZOHTIORUUIGO-NHCUHLMSSA-N 1 3 371.525 2.512 20 30 FFEDHO CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302696 521138860 /nfs/dbraw/zinc/13/88/60/521138860.db2.gz JCZOHTIORUUIGO-NHCUHLMSSA-N 1 3 371.525 2.512 20 30 FFEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000611587609 521239524 /nfs/dbraw/zinc/23/95/24/521239524.db2.gz FZQIAWYECKXGHU-CEMLEFRQSA-N 1 3 352.526 2.865 20 30 FFEDHO CCOc1c(Cl)cc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1OC ZINC000303895960 729735391 /nfs/dbraw/zinc/73/53/91/729735391.db2.gz UCBWRRTYNFJONE-CQSZACIVSA-N 1 3 368.909 2.636 20 30 FFEDHO CC(C)[NH2+][C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000731033195 734663217 /nfs/dbraw/zinc/66/32/17/734663217.db2.gz XATIXYICLYCTFY-GJZGRUSLSA-N 1 3 356.495 2.935 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1 ZINC001104932690 971176834 /nfs/dbraw/zinc/17/68/34/971176834.db2.gz HQEVWXPUIFHLMJ-WIYYLYMNSA-N 1 3 370.541 2.864 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1 ZINC001104932690 971176841 /nfs/dbraw/zinc/17/68/41/971176841.db2.gz HQEVWXPUIFHLMJ-WIYYLYMNSA-N 1 3 370.541 2.864 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001211657985 971862335 /nfs/dbraw/zinc/86/23/35/971862335.db2.gz XDKHAMXPCMPGOW-BHIFYINESA-N 1 3 367.537 2.716 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001211657985 971862338 /nfs/dbraw/zinc/86/23/38/971862338.db2.gz XDKHAMXPCMPGOW-BHIFYINESA-N 1 3 367.537 2.716 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573189 969735072 /nfs/dbraw/zinc/73/50/72/969735072.db2.gz LGNJRTDRPTXNLV-KBAYOESNSA-N 1 3 355.954 2.935 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573189 969735076 /nfs/dbraw/zinc/73/50/76/969735076.db2.gz LGNJRTDRPTXNLV-KBAYOESNSA-N 1 3 355.954 2.935 20 30 FFEDHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106340421 987983993 /nfs/dbraw/zinc/98/39/93/987983993.db2.gz XGOOMEOPPIJZAD-HUUCEWRRSA-N 1 3 362.543 2.534 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079153466 991818754 /nfs/dbraw/zinc/81/87/54/991818754.db2.gz IRKQYXWJCNASQR-RBUKOAKNSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@H]2C)CC1 ZINC001080997438 993547800 /nfs/dbraw/zinc/54/78/00/993547800.db2.gz DCBBCCQPCWWARG-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]2C)CC1 ZINC001080997438 993547806 /nfs/dbraw/zinc/54/78/06/993547806.db2.gz DCBBCCQPCWWARG-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C=CCCCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742289 1004720536 /nfs/dbraw/zinc/72/05/36/1004720536.db2.gz OOBLDBKIXPVVRZ-ZHALLVOQSA-N 1 3 359.514 2.749 20 30 FFEDHO C=CCCCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742289 1004720539 /nfs/dbraw/zinc/72/05/39/1004720539.db2.gz OOBLDBKIXPVVRZ-ZHALLVOQSA-N 1 3 359.514 2.749 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357708 1005811048 /nfs/dbraw/zinc/81/10/48/1005811048.db2.gz SLDBPSQKZHRIOW-DYESRHJHSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357708 1005811051 /nfs/dbraw/zinc/81/10/51/1005811051.db2.gz SLDBPSQKZHRIOW-DYESRHJHSA-N 1 3 365.477 2.834 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(COCC(F)(F)F)c1 ZINC000136894209 1008555509 /nfs/dbraw/zinc/55/55/09/1008555509.db2.gz WNLUJJDIPMUBOK-INIZCTEOSA-N 1 3 372.435 2.654 20 30 FFEDHO Cc1cccc(N(C(=O)C(C#N)Cc2cccs2)C2CC[NH2+]CC2)n1 ZINC001177912410 1008784404 /nfs/dbraw/zinc/78/44/04/1008784404.db2.gz PIGQDLASHZYLGQ-OAHLLOKOSA-N 1 3 354.479 2.919 20 30 FFEDHO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3cnccc3N(C)C)CCC[C@@H]12 ZINC001094562547 1011220040 /nfs/dbraw/zinc/22/00/40/1011220040.db2.gz YMQWEQYGVWMRHT-IEBWSBKVSA-N 1 3 362.905 2.875 20 30 FFEDHO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)c3cnccc3N(C)C)CCC[C@@H]12 ZINC001094562547 1011220052 /nfs/dbraw/zinc/22/00/52/1011220052.db2.gz YMQWEQYGVWMRHT-IEBWSBKVSA-N 1 3 362.905 2.875 20 30 FFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094581799 1011265203 /nfs/dbraw/zinc/26/52/03/1011265203.db2.gz FZFJQIKXTKVUSN-IFMALSPDSA-N 1 3 353.510 2.746 20 30 FFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094581799 1011265215 /nfs/dbraw/zinc/26/52/15/1011265215.db2.gz FZFJQIKXTKVUSN-IFMALSPDSA-N 1 3 353.510 2.746 20 30 FFEDHO C#C[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000827566327 1018497608 /nfs/dbraw/zinc/49/76/08/1018497608.db2.gz VCDRZTGOMXCKKT-NRFANRHFSA-N 1 3 355.526 2.735 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC001045441171 1019968178 /nfs/dbraw/zinc/96/81/78/1019968178.db2.gz WGHLWDQIBOJCGX-VQTJNVASSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001045441171 1019968185 /nfs/dbraw/zinc/96/81/85/1019968185.db2.gz WGHLWDQIBOJCGX-VQTJNVASSA-N 1 3 368.525 2.759 20 30 FFEDHO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000931432486 1020461866 /nfs/dbraw/zinc/46/18/66/1020461866.db2.gz SEADDYNGEVFYAB-CABCVRRESA-N 1 3 372.538 2.711 20 30 FFEDHO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]2C1 ZINC000931432486 1020461868 /nfs/dbraw/zinc/46/18/68/1020461868.db2.gz SEADDYNGEVFYAB-CABCVRRESA-N 1 3 372.538 2.711 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2=CCCCC2)CC1 ZINC001098462598 1020930057 /nfs/dbraw/zinc/93/00/57/1020930057.db2.gz CHMNKZVSBWWRLN-NJYVYQBISA-N 1 3 355.526 2.554 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2=CCCCC2)CC1 ZINC001098462598 1020930063 /nfs/dbraw/zinc/93/00/63/1020930063.db2.gz CHMNKZVSBWWRLN-NJYVYQBISA-N 1 3 355.526 2.554 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C(F)(F)F ZINC001099316936 1022281916 /nfs/dbraw/zinc/28/19/16/1022281916.db2.gz KDRRRDOZLQSXRH-BZUAXINKSA-N 1 3 361.452 2.806 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001103751845 1028138872 /nfs/dbraw/zinc/13/88/72/1028138872.db2.gz UYFZFMFGVNVEDE-DENIHFKCSA-N 1 3 367.537 2.606 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001103751845 1028138876 /nfs/dbraw/zinc/13/88/76/1028138876.db2.gz UYFZFMFGVNVEDE-DENIHFKCSA-N 1 3 367.537 2.606 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)N2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001161595909 1028247057 /nfs/dbraw/zinc/24/70/57/1028247057.db2.gz VIXIRDRAUCWBSO-HXUWFJFHSA-N 1 3 360.461 2.569 20 30 FFEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc([C@H](C#N)c2ccc(C)cc2)nn1 ZINC001163122675 1028808974 /nfs/dbraw/zinc/80/89/74/1028808974.db2.gz PLMCGFNVAKYPMX-QGZVFWFLSA-N 1 3 365.485 2.719 20 30 FFEDHO CC(C)[NH+]1CCC(CNc2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1 ZINC001156502064 1029222635 /nfs/dbraw/zinc/22/26/35/1029222635.db2.gz GHLWTEHDFKKWEN-MRXNPFEDSA-N 1 3 373.501 2.958 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205407974 1031719924 /nfs/dbraw/zinc/71/99/24/1031719924.db2.gz NPHMTIKWAHCJFY-HBMCJLEFSA-N 1 3 371.500 2.606 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205407974 1031719932 /nfs/dbraw/zinc/71/99/32/1031719932.db2.gz NPHMTIKWAHCJFY-HBMCJLEFSA-N 1 3 371.500 2.606 20 30 FFEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771596 1034639659 /nfs/dbraw/zinc/63/96/59/1034639659.db2.gz WEPZWELGDVTKIK-FCHUYYIVSA-N 1 3 374.525 2.953 20 30 FFEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771598 1034640069 /nfs/dbraw/zinc/64/00/69/1034640069.db2.gz WEPZWELGDVTKIK-VXKWHMMOSA-N 1 3 374.525 2.953 20 30 FFEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229808701 1036911979 /nfs/dbraw/zinc/91/19/79/1036911979.db2.gz VNFQXOVWIYAHES-HUUCEWRRSA-N 1 3 360.340 2.644 20 30 FFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001230286347 1037196473 /nfs/dbraw/zinc/19/64/73/1037196473.db2.gz JYMZDULNPDWIEJ-VAMGGRTRSA-N 1 3 365.562 2.717 20 30 FFEDHO [NH3+]CC1CN([C@H]2CCCN(Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236081163 1037922610 /nfs/dbraw/zinc/92/26/10/1037922610.db2.gz ZCTLNYJBMCCOOH-DEOSSOPVSA-N 1 3 359.517 2.941 20 30 FFEDHO C=C1C[C@@H]2CC([N@@H+]3CCCn4c(=O)cc(CN(C)C)nc4C3)C[C@H](C1)C2 ZINC001257891786 1039045168 /nfs/dbraw/zinc/04/51/68/1039045168.db2.gz QGXQIMUINZJXER-JJTKIYQPSA-N 1 3 356.514 2.646 20 30 FFEDHO C=C1C[C@@H]2CC([N@H+]3CCCn4c(=O)cc(CN(C)C)nc4C3)C[C@H](C1)C2 ZINC001257891786 1039045177 /nfs/dbraw/zinc/04/51/77/1039045177.db2.gz QGXQIMUINZJXER-JJTKIYQPSA-N 1 3 356.514 2.646 20 30 FFEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001246308405 1039309003 /nfs/dbraw/zinc/30/90/03/1039309003.db2.gz REUDWCILTCMQDZ-JBACZVJFSA-N 1 3 373.541 2.856 20 30 FFEDHO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247829243 1039975917 /nfs/dbraw/zinc/97/59/17/1039975917.db2.gz GQVHTLFESLVOES-SFHVURJKSA-N 1 3 373.416 2.677 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)CC1 ZINC001331437263 1047935580 /nfs/dbraw/zinc/93/55/80/1047935580.db2.gz IATYQNAVSGPRQV-YADHBBJMSA-N 1 3 365.521 2.600 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001340483907 1050879780 /nfs/dbraw/zinc/87/97/80/1050879780.db2.gz MKYJPDNTTDJKEU-QYZOEREBSA-N 1 3 353.551 2.809 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001342918064 1051527436 /nfs/dbraw/zinc/52/74/36/1051527436.db2.gz GJANEAGUHSUZQN-GOSISDBHSA-N 1 3 374.577 2.974 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001342918064 1051527439 /nfs/dbraw/zinc/52/74/39/1051527439.db2.gz GJANEAGUHSUZQN-GOSISDBHSA-N 1 3 374.577 2.974 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccc(Br)cc2)CC1 ZINC001335397010 1053336050 /nfs/dbraw/zinc/33/60/50/1053336050.db2.gz BOLZSCLILSISEC-QGZVFWFLSA-N 1 3 351.288 2.560 20 30 FFEDHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC001464601890 1062709637 /nfs/dbraw/zinc/70/96/37/1062709637.db2.gz BKYZRUQLOOTWCT-FQEVSTJZSA-N 1 3 356.514 2.570 20 30 FFEDHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC001464601890 1062709655 /nfs/dbraw/zinc/70/96/55/1062709655.db2.gz BKYZRUQLOOTWCT-FQEVSTJZSA-N 1 3 356.514 2.570 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCNCc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001495355768 1063483047 /nfs/dbraw/zinc/48/30/47/1063483047.db2.gz HMMIXGKIJSMULF-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCNCc3ccccc3C#N)C2)CC[N@H+]1C ZINC001495355768 1063483065 /nfs/dbraw/zinc/48/30/65/1063483065.db2.gz HMMIXGKIJSMULF-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCC[N@H+](C)C1 ZINC000118842440 508682966 /nfs/dbraw/zinc/68/29/66/508682966.db2.gz NNTJVGXWHXTZCF-AWEZNQCLSA-N 1 3 360.527 2.711 20 30 FFEDHO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842440 508682968 /nfs/dbraw/zinc/68/29/68/508682968.db2.gz NNTJVGXWHXTZCF-AWEZNQCLSA-N 1 3 360.527 2.711 20 30 FFEDHO C#CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136587869 508702302 /nfs/dbraw/zinc/70/23/02/508702302.db2.gz WEDHXJKJMJQEGN-VXKWHMMOSA-N 1 3 356.510 2.946 20 30 FFEDHO N#Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000159336885 508827242 /nfs/dbraw/zinc/82/72/42/508827242.db2.gz SIBHRJGJHIVMQA-UHFFFAOYSA-N 1 3 368.525 2.762 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000161763357 509150846 /nfs/dbraw/zinc/15/08/46/509150846.db2.gz GLCOMEFCZDIHJU-UHFFFAOYSA-N 1 3 350.551 2.790 20 30 FFEDHO Cc1cc(C)cc(NC(=[NH2+])NCc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000264108387 509334014 /nfs/dbraw/zinc/33/40/14/509334014.db2.gz PZMSNNLMFDXDPG-UHFFFAOYSA-N 1 3 367.497 2.522 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000173161108 509428878 /nfs/dbraw/zinc/42/88/78/509428878.db2.gz QTUUVZZTBOTJCL-UHFFFAOYSA-N 1 3 370.541 2.599 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180214807 509816452 /nfs/dbraw/zinc/81/64/52/509816452.db2.gz JDOWTBORJWDLGX-HXUWFJFHSA-N 1 3 368.525 2.730 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180214807 509816456 /nfs/dbraw/zinc/81/64/56/509816456.db2.gz JDOWTBORJWDLGX-HXUWFJFHSA-N 1 3 368.525 2.730 20 30 FFEDHO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184746580 510496565 /nfs/dbraw/zinc/49/65/65/510496565.db2.gz ZXTZTCHKVUIABH-FHWLQOOXSA-N 1 3 370.541 2.741 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1C ZINC000175749954 510768575 /nfs/dbraw/zinc/76/85/75/510768575.db2.gz QLPAKVRBIMPHCS-SFHVURJKSA-N 1 3 357.502 2.747 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1C ZINC000175749954 510768580 /nfs/dbraw/zinc/76/85/80/510768580.db2.gz QLPAKVRBIMPHCS-SFHVURJKSA-N 1 3 357.502 2.747 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000287342513 511046968 /nfs/dbraw/zinc/04/69/68/511046968.db2.gz IRYIYKYOYPLABI-IBGZPJMESA-N 1 3 362.493 2.768 20 30 FFEDHO C[C@@H]1CCC[C@](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000279451324 511087558 /nfs/dbraw/zinc/08/75/58/511087558.db2.gz FZQSDOBOJQBBTA-PBEJRMEISA-N 1 3 352.482 2.867 20 30 FFEDHO CCc1nc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000328617120 511893302 /nfs/dbraw/zinc/89/33/02/511893302.db2.gz TWXYMUJMQICZHN-UHFFFAOYSA-N 1 3 365.547 2.898 20 30 FFEDHO C=CCN1CCC(Nc2cncc(NC3CC[NH+](CC=C)CC3)n2)CC1 ZINC000439160539 514502417 /nfs/dbraw/zinc/50/24/17/514502417.db2.gz VBMFLELAPIWHQX-UHFFFAOYSA-N 1 3 356.518 2.601 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)C(C)C ZINC000480542831 514993617 /nfs/dbraw/zinc/99/36/17/514993617.db2.gz ARAALSISYPOURC-VAMGGRTRSA-N 1 3 362.562 2.953 20 30 FFEDHO N#Cc1ccccc1OC[C@@H](O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000528421582 516425208 /nfs/dbraw/zinc/42/52/08/516425208.db2.gz RJUDBLMGKRDLPC-NRFANRHFSA-N 1 3 371.525 2.886 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000574317422 519097802 /nfs/dbraw/zinc/09/78/02/519097802.db2.gz VOPDPCHDMVUUTI-COPRSSIGSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000574317422 519097814 /nfs/dbraw/zinc/09/78/14/519097814.db2.gz VOPDPCHDMVUUTI-COPRSSIGSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317422 519097820 /nfs/dbraw/zinc/09/78/20/519097820.db2.gz VOPDPCHDMVUUTI-COPRSSIGSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317422 519097826 /nfs/dbraw/zinc/09/78/26/519097826.db2.gz VOPDPCHDMVUUTI-COPRSSIGSA-N 1 3 360.542 2.772 20 30 FFEDHO C=CCc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc(OC)c1O ZINC000574904786 519395403 /nfs/dbraw/zinc/39/54/03/519395403.db2.gz IXDZECFLLGOKPA-RXVVDRJESA-N 1 3 360.498 2.848 20 30 FFEDHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594439863 519966597 /nfs/dbraw/zinc/96/65/97/519966597.db2.gz VOGUGJDTVZBEOB-PMACEKPBSA-N 1 3 356.514 2.768 20 30 FFEDHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594439863 519966604 /nfs/dbraw/zinc/96/66/04/519966604.db2.gz VOGUGJDTVZBEOB-PMACEKPBSA-N 1 3 356.514 2.768 20 30 FFEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](N)CCCCC#N ZINC000594454013 519974724 /nfs/dbraw/zinc/97/47/24/519974724.db2.gz RDBKSBATDUZVJH-IBGZPJMESA-N 1 3 357.502 2.558 20 30 FFEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000609029852 520181132 /nfs/dbraw/zinc/18/11/32/520181132.db2.gz SOXJWDGZSIQHSK-NRFANRHFSA-N 1 3 367.493 2.882 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000592507301 520427262 /nfs/dbraw/zinc/42/72/62/520427262.db2.gz RYRBFKZSEQCQJX-YLJYHZDGSA-N 1 3 356.514 2.772 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000592507301 520427267 /nfs/dbraw/zinc/42/72/67/520427267.db2.gz RYRBFKZSEQCQJX-YLJYHZDGSA-N 1 3 356.514 2.772 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599360944 521174246 /nfs/dbraw/zinc/17/42/46/521174246.db2.gz XZNVPXSINUDIOD-QRFRQXIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599360944 521174250 /nfs/dbraw/zinc/17/42/50/521174250.db2.gz XZNVPXSINUDIOD-QRFRQXIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000599360944 521174257 /nfs/dbraw/zinc/17/42/57/521174257.db2.gz XZNVPXSINUDIOD-QRFRQXIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599360943 521175100 /nfs/dbraw/zinc/17/51/00/521175100.db2.gz XZNVPXSINUDIOD-ILZDJORESA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599360943 521175113 /nfs/dbraw/zinc/17/51/13/521175113.db2.gz XZNVPXSINUDIOD-ILZDJORESA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000599360943 521175123 /nfs/dbraw/zinc/17/51/23/521175123.db2.gz XZNVPXSINUDIOD-ILZDJORESA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000602708293 521490213 /nfs/dbraw/zinc/49/02/13/521490213.db2.gz NVXXMDRJHUGEPL-GOSISDBHSA-N 1 3 356.514 2.982 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594260913 521516019 /nfs/dbraw/zinc/51/60/19/521516019.db2.gz PNFXCZHGZZZZBK-RXVVDRJESA-N 1 3 370.541 2.611 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594260913 521516027 /nfs/dbraw/zinc/51/60/27/521516027.db2.gz PNFXCZHGZZZZBK-RXVVDRJESA-N 1 3 370.541 2.611 20 30 FFEDHO C=CCCC(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000632979014 522446066 /nfs/dbraw/zinc/44/60/66/522446066.db2.gz MPNWFXVPBAZAAA-UHFFFAOYSA-N 1 3 350.551 2.837 20 30 FFEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NCCC[NH+](C)C ZINC000924540998 738426705 /nfs/dbraw/zinc/42/67/05/738426705.db2.gz SNWYRCVTHGQYDG-INIZCTEOSA-N 1 3 352.523 2.847 20 30 FFEDHO CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)Oc1ccccc1Cl ZINC000304672550 729736675 /nfs/dbraw/zinc/73/66/75/729736675.db2.gz CIRJXJISJVRJLJ-LSDHHAIUSA-N 1 3 352.910 2.886 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001211657986 971862730 /nfs/dbraw/zinc/86/27/30/971862730.db2.gz XDKHAMXPCMPGOW-FDFHNCONSA-N 1 3 367.537 2.716 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1ccccc1 ZINC001211657986 971862733 /nfs/dbraw/zinc/86/27/33/971862733.db2.gz XDKHAMXPCMPGOW-FDFHNCONSA-N 1 3 367.537 2.716 20 30 FFEDHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087175604 965103127 /nfs/dbraw/zinc/10/31/27/965103127.db2.gz WQRXOCRQAZALAI-UTKZUKDTSA-N 1 3 368.525 2.759 20 30 FFEDHO C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1 ZINC001104676731 970085845 /nfs/dbraw/zinc/08/58/45/970085845.db2.gz VYAVWTYXIOPOBS-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1 ZINC001104676731 970085854 /nfs/dbraw/zinc/08/58/54/970085854.db2.gz VYAVWTYXIOPOBS-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CC[C@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662789129 974077119 /nfs/dbraw/zinc/07/71/19/974077119.db2.gz SUGLSFNTJRLGGR-JOCHJYFZSA-N 1 3 355.526 2.852 20 30 FFEDHO CN(Cc1cc(C#N)cc(C[N@H+](C)C[C@@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000877972968 1014792452 /nfs/dbraw/zinc/79/24/52/1014792452.db2.gz QUIXWYVDGHTKPY-SFTDATJTSA-N 1 3 357.498 2.780 20 30 FFEDHO CN(Cc1cc(C#N)cc(C[N@@H+](C)C[C@@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000877972968 1014792465 /nfs/dbraw/zinc/79/24/65/1014792465.db2.gz QUIXWYVDGHTKPY-SFTDATJTSA-N 1 3 357.498 2.780 20 30 FFEDHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000997597565 985583339 /nfs/dbraw/zinc/58/33/39/985583339.db2.gz YABMOPGJZHHULW-CSODHUTKSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000997597565 985583349 /nfs/dbraw/zinc/58/33/49/985583349.db2.gz YABMOPGJZHHULW-CSODHUTKSA-N 1 3 368.525 2.615 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401520 986118358 /nfs/dbraw/zinc/11/83/58/986118358.db2.gz SZUUYEBIDAVXLI-VAMGGRTRSA-N 1 3 365.562 2.526 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401520 986118366 /nfs/dbraw/zinc/11/83/66/986118366.db2.gz SZUUYEBIDAVXLI-VAMGGRTRSA-N 1 3 365.562 2.526 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001106672052 988619649 /nfs/dbraw/zinc/61/96/49/988619649.db2.gz BUGQSWGRGVXLBY-YLJYHZDGSA-N 1 3 370.541 2.720 20 30 FFEDHO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000812914401 995570297 /nfs/dbraw/zinc/57/02/97/995570297.db2.gz NICLSMXVCXJNAK-OAQYLSRUSA-N 1 3 374.504 2.661 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H](C)c3ccccc3)C2)CC1 ZINC001086882525 1001300053 /nfs/dbraw/zinc/30/00/53/1001300053.db2.gz UZRIJGCTKHNONX-XQBPLPMBSA-N 1 3 367.537 2.967 20 30 FFEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947589 1002146933 /nfs/dbraw/zinc/14/69/33/1002146933.db2.gz LCHFKJGBSHCEAA-CBQOVEMMSA-N 1 3 357.542 2.587 20 30 FFEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947589 1002146936 /nfs/dbraw/zinc/14/69/36/1002146936.db2.gz LCHFKJGBSHCEAA-CBQOVEMMSA-N 1 3 357.542 2.587 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086605878 1002927106 /nfs/dbraw/zinc/92/71/06/1002927106.db2.gz ZZLGZWZDTQCNIG-BHIFYINESA-N 1 3 367.537 2.716 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086605878 1002927115 /nfs/dbraw/zinc/92/71/15/1002927115.db2.gz ZZLGZWZDTQCNIG-BHIFYINESA-N 1 3 367.537 2.716 20 30 FFEDHO Cc1cnc(C#N)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170526320 1004608557 /nfs/dbraw/zinc/60/85/57/1004608557.db2.gz SMNHSGIEMMEHMB-UHFFFAOYSA-N 1 3 360.465 2.566 20 30 FFEDHO C=C(C)CCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743092 1004719825 /nfs/dbraw/zinc/71/98/25/1004719825.db2.gz URLRRDRUODIKQA-ZHALLVOQSA-N 1 3 359.514 2.749 20 30 FFEDHO C=C(C)CCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743092 1004719827 /nfs/dbraw/zinc/71/98/27/1004719827.db2.gz URLRRDRUODIKQA-ZHALLVOQSA-N 1 3 359.514 2.749 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199128023 1004836217 /nfs/dbraw/zinc/83/62/17/1004836217.db2.gz MGKSMQQUPUJTOW-AQNXPRMDSA-N 1 3 367.578 2.629 20 30 FFEDHO CN(C)C(=O)C1CC[NH+](C2CCN(C3CCC(CC#N)CC3)CC2)CC1 ZINC001173335819 1012451823 /nfs/dbraw/zinc/45/18/23/1012451823.db2.gz ZXAIELVGPRAXPH-UHFFFAOYSA-N 1 3 360.546 2.723 20 30 FFEDHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)CN1CCN(CC)CC1 ZINC000303872344 1012475822 /nfs/dbraw/zinc/47/58/22/1012475822.db2.gz GIENBBHMDLWLBA-KRWDZBQOSA-N 1 3 359.562 2.812 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000303874390 1012478525 /nfs/dbraw/zinc/47/85/25/1012478525.db2.gz DAWQUIXUIJUYQW-KRWDZBQOSA-N 1 3 371.460 2.902 20 30 FFEDHO CCCCCCNC(=[NH2+])NCc1ccccc1CN1CCN(CC)CC1 ZINC000303892605 1012503741 /nfs/dbraw/zinc/50/37/41/1012503741.db2.gz NQXFVQWAHQNPEP-UHFFFAOYSA-N 1 3 359.562 2.809 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1cn(-c2ccccc2)nc1C ZINC000303905999 1012513638 /nfs/dbraw/zinc/51/36/38/1012513638.db2.gz ZSIZTJLDUDZFRJ-FQEVSTJZSA-N 1 3 368.529 2.502 20 30 FFEDHO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H](C)CN1CCN(C)CC1 ZINC000303906271 1012517092 /nfs/dbraw/zinc/51/70/92/1012517092.db2.gz ZVOQYFVABVOLDQ-FQEVSTJZSA-N 1 3 373.589 2.714 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(C)(C)C)C3)CC1 ZINC001099174221 1022000317 /nfs/dbraw/zinc/00/03/17/1022000317.db2.gz DPFHMPHTZKVVMB-UGKGYDQZSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(C)(C)C)C3)CC1 ZINC001099174221 1022000323 /nfs/dbraw/zinc/00/03/23/1022000323.db2.gz DPFHMPHTZKVVMB-UGKGYDQZSA-N 1 3 359.558 2.739 20 30 FFEDHO N#CC1(c2cccnc2-n2nccc2C[NH3+])CCN(Cc2ccccc2)CC1 ZINC001162590633 1028590711 /nfs/dbraw/zinc/59/07/11/1028590711.db2.gz FEPZZUIFPRDGAL-UHFFFAOYSA-N 1 3 372.476 2.783 20 30 FFEDHO CN1CCC(N(c2ncc3c(c2C#N)CCC[NH2+]C3)C2CCCC2)CC1 ZINC001158485098 1029839458 /nfs/dbraw/zinc/83/94/58/1029839458.db2.gz GQIJLBKDLCQZRA-UHFFFAOYSA-N 1 3 353.514 2.832 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC/C=C\CC)C3)CC1 ZINC001112004175 1029851977 /nfs/dbraw/zinc/85/19/77/1029851977.db2.gz ODFIILPTTOBCLN-UJXIXULISA-N 1 3 357.542 2.659 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC/C=C\CC)C3)CC1 ZINC001112004175 1029851981 /nfs/dbraw/zinc/85/19/81/1029851981.db2.gz ODFIILPTTOBCLN-UJXIXULISA-N 1 3 357.542 2.659 20 30 FFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113327 1030034599 /nfs/dbraw/zinc/03/45/99/1030034599.db2.gz OLDRRVKASFRJAD-RRFJBIMHSA-N 1 3 361.452 2.804 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1F ZINC001205619400 1031876037 /nfs/dbraw/zinc/87/60/37/1031876037.db2.gz DMQHKZGOBUWMPG-AZUAARDMSA-N 1 3 359.489 2.770 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)CC1(c2ccc(C)cc2)CC[NH2+]CC1 ZINC001220868078 1034436367 /nfs/dbraw/zinc/43/63/67/1034436367.db2.gz AOLZEPVMHYRLPI-FQEVSTJZSA-N 1 3 355.526 2.773 20 30 FFEDHO C=CCCCCC[C@H](N)C(=O)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001221093987 1034543863 /nfs/dbraw/zinc/54/38/63/1034543863.db2.gz CDGZKGPTJYOGHF-IBGZPJMESA-N 1 3 359.514 2.854 20 30 FFEDHO N#Cc1cccc2c(CN3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001139702396 1035202276 /nfs/dbraw/zinc/20/22/76/1035202276.db2.gz CTVBGKLBKOOUAJ-PMACEKPBSA-N 1 3 357.461 2.998 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001229852887 1036936438 /nfs/dbraw/zinc/93/64/38/1036936438.db2.gz NTBFJVNKENMALR-NHCUHLMSSA-N 1 3 355.526 2.787 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001229852887 1036936452 /nfs/dbraw/zinc/93/64/52/1036936452.db2.gz NTBFJVNKENMALR-NHCUHLMSSA-N 1 3 355.526 2.787 20 30 FFEDHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001230284696 1037196096 /nfs/dbraw/zinc/19/60/96/1037196096.db2.gz QNHPTRASDGUGLP-RTBURBONSA-N 1 3 360.477 2.555 20 30 FFEDHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001255954364 1038270288 /nfs/dbraw/zinc/27/02/88/1038270288.db2.gz VKKVBJRRLPBEAU-KRWDZBQOSA-N 1 3 356.514 2.873 20 30 FFEDHO C[NH2+]Cc1cccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1F ZINC001244857588 1038799288 /nfs/dbraw/zinc/79/92/88/1038799288.db2.gz AKDYAVZLSOGBDO-CQSZACIVSA-N 1 3 356.401 2.951 20 30 FFEDHO CC(=O)n1ccc2cc(C[C@H](C)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc(C#N)c21 ZINC001246329300 1039315090 /nfs/dbraw/zinc/31/50/90/1039315090.db2.gz UXPPLTSJRCBEIM-JEHIKHPJSA-N 1 3 350.466 2.977 20 30 FFEDHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001278680651 1039686092 /nfs/dbraw/zinc/68/60/92/1039686092.db2.gz DFIGAPDIRBNBEB-OAQYLSRUSA-N 1 3 358.505 2.937 20 30 FFEDHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001216174281 1041970974 /nfs/dbraw/zinc/97/09/74/1041970974.db2.gz OZJMSCOSZMXSAP-DENIHFKCSA-N 1 3 367.537 2.595 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263331457 1042244429 /nfs/dbraw/zinc/24/44/29/1042244429.db2.gz PMDMYVNKHLBLOY-RBUKOAKNSA-N 1 3 374.577 2.832 20 30 FFEDHO Cc1nc[nH]c1C[NH2+][C@@]12CC[C@@](NCc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001279356308 1043023934 /nfs/dbraw/zinc/02/39/34/1043023934.db2.gz MSQKJGPPRXAFND-UXHICEINSA-N 1 3 352.486 2.653 20 30 FFEDHO C=C(C)COc1ccccc1CN1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001237428692 1043153382 /nfs/dbraw/zinc/15/33/82/1043153382.db2.gz CCBZTTIFSFSKMQ-SFHVURJKSA-N 1 3 358.482 2.616 20 30 FFEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942639 1045308613 /nfs/dbraw/zinc/30/86/13/1045308613.db2.gz CNVNOPFFRHJXFR-QYZOEREBSA-N 1 3 363.933 2.815 20 30 FFEDHO C=C(Cl)CN[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC001319942639 1045308616 /nfs/dbraw/zinc/30/86/16/1045308616.db2.gz CNVNOPFFRHJXFR-QYZOEREBSA-N 1 3 363.933 2.815 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001331711275 1048075918 /nfs/dbraw/zinc/07/59/18/1048075918.db2.gz FKVFNONVAJRHKC-IBGZPJMESA-N 1 3 370.541 2.623 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cc1 ZINC001334080898 1049236734 /nfs/dbraw/zinc/23/67/34/1049236734.db2.gz CAPZPEQAUVGCAT-GHTZIAJQSA-N 1 3 371.525 2.723 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC001334080898 1049236742 /nfs/dbraw/zinc/23/67/42/1049236742.db2.gz CAPZPEQAUVGCAT-GHTZIAJQSA-N 1 3 371.525 2.723 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001340483903 1050879805 /nfs/dbraw/zinc/87/98/05/1050879805.db2.gz MKYJPDNTTDJKEU-FHWLQOOXSA-N 1 3 353.551 2.809 20 30 FFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)C[C@H]1OCC ZINC001316692595 1051351673 /nfs/dbraw/zinc/35/16/73/1051351673.db2.gz AQDYVLXFKOBIMM-VAMGGRTRSA-N 1 3 365.562 2.670 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC001335440988 1053366032 /nfs/dbraw/zinc/36/60/32/1053366032.db2.gz OANSNFCHXAMSGR-MWGFUINXSA-N 1 3 372.509 2.545 20 30 FFEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849106116 1056763937 /nfs/dbraw/zinc/76/39/37/1056763937.db2.gz VIZSHIMEPICYSS-QUCCMNQESA-N 1 3 356.514 2.746 20 30 FFEDHO CCN(C[C@H](C)C#N)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821188 508102915 /nfs/dbraw/zinc/10/29/15/508102915.db2.gz CGCRNPORMDIIRC-GOSISDBHSA-N 1 3 371.529 2.628 20 30 FFEDHO C#CCOc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000113337655 508261721 /nfs/dbraw/zinc/26/17/21/508261721.db2.gz HPOAFVCQRZTRQP-UHFFFAOYSA-N 1 3 364.489 2.945 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CC1 ZINC000116816537 508565565 /nfs/dbraw/zinc/56/55/65/508565565.db2.gz OJDBHMCLKVDYPP-UHFFFAOYSA-N 1 3 363.889 2.564 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000132799137 509076491 /nfs/dbraw/zinc/07/64/91/509076491.db2.gz BERZZBXUNHHLBH-LJQANCHMSA-N 1 3 350.551 2.837 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000132799137 509076494 /nfs/dbraw/zinc/07/64/94/509076494.db2.gz BERZZBXUNHHLBH-LJQANCHMSA-N 1 3 350.551 2.837 20 30 FFEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267314083 509443682 /nfs/dbraw/zinc/44/36/82/509443682.db2.gz OFUQRSLOIFGSCY-QGZVFWFLSA-N 1 3 357.546 2.566 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000176720678 509656669 /nfs/dbraw/zinc/65/66/69/509656669.db2.gz MAZUJLKEZSJZRF-RXVVDRJESA-N 1 3 353.510 2.501 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000176720678 509656673 /nfs/dbraw/zinc/65/66/73/509656673.db2.gz MAZUJLKEZSJZRF-RXVVDRJESA-N 1 3 353.510 2.501 20 30 FFEDHO COc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C#N ZINC000174358911 510076288 /nfs/dbraw/zinc/07/62/88/510076288.db2.gz FKZSQSQMSDGMRO-UHFFFAOYSA-N 1 3 365.477 2.813 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000172229892 510611860 /nfs/dbraw/zinc/61/18/60/510611860.db2.gz GAEMNRDCLBJLJN-HXUWFJFHSA-N 1 3 356.514 2.601 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000172229892 510611866 /nfs/dbraw/zinc/61/18/66/510611866.db2.gz GAEMNRDCLBJLJN-HXUWFJFHSA-N 1 3 356.514 2.601 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287725528 511055402 /nfs/dbraw/zinc/05/54/02/511055402.db2.gz NUVQWZCRNXSEOH-YLJYHZDGSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287725528 511055406 /nfs/dbraw/zinc/05/54/06/511055406.db2.gz NUVQWZCRNXSEOH-YLJYHZDGSA-N 1 3 356.514 2.599 20 30 FFEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000288372375 511072831 /nfs/dbraw/zinc/07/28/31/511072831.db2.gz QVWXTFUCJXHOTD-NRFANRHFSA-N 1 3 371.525 2.538 20 30 FFEDHO C=CCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1OC ZINC000289454019 511101639 /nfs/dbraw/zinc/10/16/39/511101639.db2.gz NNZGBBHCWJTQBA-UHFFFAOYSA-N 1 3 373.541 2.719 20 30 FFEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280925230 511655123 /nfs/dbraw/zinc/65/51/23/511655123.db2.gz VKXXJLLNEDVLCW-MBOZVWFJSA-N 1 3 352.482 2.725 20 30 FFEDHO Cc1ccc([C@H](C)[C@H](O)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000329029826 511970701 /nfs/dbraw/zinc/97/07/01/511970701.db2.gz PGDUUEGENMYMET-UWJYYQICSA-N 1 3 373.541 2.975 20 30 FFEDHO C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413175838 513501125 /nfs/dbraw/zinc/50/11/25/513501125.db2.gz KDOWFBQXLCTLBB-KURKYZTESA-N 1 3 356.514 2.710 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417520078 514390845 /nfs/dbraw/zinc/39/08/45/514390845.db2.gz BOMAXDXRPXDCQO-FQEVSTJZSA-N 1 3 352.482 2.789 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000494108159 515735463 /nfs/dbraw/zinc/73/54/63/515735463.db2.gz VYIFEXQRVBZELP-XLIONFOSSA-N 1 3 358.530 2.936 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000494108150 515735624 /nfs/dbraw/zinc/73/56/24/515735624.db2.gz VYIFEXQRVBZELP-FXAWDEMLSA-N 1 3 358.530 2.936 20 30 FFEDHO N#CCCCOc1cccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000531758846 516624145 /nfs/dbraw/zinc/62/41/45/516624145.db2.gz SJLXJZXULFNTLT-LEWJYISDSA-N 1 3 357.498 2.837 20 30 FFEDHO C=CCN1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521595441 517790351 /nfs/dbraw/zinc/79/03/51/517790351.db2.gz KEWXFKILSXGRDL-HDICACEKSA-N 1 3 350.551 2.694 20 30 FFEDHO C=CCN1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521595441 517790361 /nfs/dbraw/zinc/79/03/61/517790361.db2.gz KEWXFKILSXGRDL-HDICACEKSA-N 1 3 350.551 2.694 20 30 FFEDHO N#Cc1ccc(CN2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)cc1 ZINC000578738667 518351967 /nfs/dbraw/zinc/35/19/67/518351967.db2.gz LAUZLUXPINRIPE-XZOQPEGZSA-N 1 3 360.505 2.868 20 30 FFEDHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594437414 519962948 /nfs/dbraw/zinc/96/29/48/519962948.db2.gz JPAXVTQCIOWDCX-YZGWKJHDSA-N 1 3 356.514 2.909 20 30 FFEDHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437414 519962958 /nfs/dbraw/zinc/96/29/58/519962958.db2.gz JPAXVTQCIOWDCX-YZGWKJHDSA-N 1 3 356.514 2.909 20 30 FFEDHO C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000609166822 520217650 /nfs/dbraw/zinc/21/76/50/520217650.db2.gz DISFZZZRXGWHDC-LJQANCHMSA-N 1 3 374.504 2.732 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595259364 520377440 /nfs/dbraw/zinc/37/74/40/520377440.db2.gz LHFSOTYBTTXBGJ-PMACEKPBSA-N 1 3 368.525 2.816 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595259364 520377449 /nfs/dbraw/zinc/37/74/49/520377449.db2.gz LHFSOTYBTTXBGJ-PMACEKPBSA-N 1 3 368.525 2.816 20 30 FFEDHO N#CC1(C[C@@H](O)CNCc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000600713826 520413919 /nfs/dbraw/zinc/41/39/19/520413919.db2.gz FRVIIHIEXUUNDZ-OAQYLSRUSA-N 1 3 371.525 2.833 20 30 FFEDHO C[C@@H](CCNC[C@@H](O)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000600725019 520426679 /nfs/dbraw/zinc/42/66/79/520426679.db2.gz AKEFRTCHARMUPH-ICSRJNTNSA-N 1 3 359.514 2.558 20 30 FFEDHO C[C@@H](CCNC[C@@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600725019 520426686 /nfs/dbraw/zinc/42/66/86/520426686.db2.gz AKEFRTCHARMUPH-ICSRJNTNSA-N 1 3 359.514 2.558 20 30 FFEDHO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000876744180 732275578 /nfs/dbraw/zinc/27/55/78/732275578.db2.gz RXHZPRQQIZNIIL-HNNXBMFYSA-N 1 3 353.919 2.952 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000876767193 732278645 /nfs/dbraw/zinc/27/86/45/732278645.db2.gz CZTDAXNEGMAWLI-INIZCTEOSA-N 1 3 351.878 2.878 20 30 FFEDHO C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039133230 742988084 /nfs/dbraw/zinc/98/80/84/742988084.db2.gz RNTNELQSMRTYKM-BPQIPLTHSA-N 1 3 353.938 2.640 20 30 FFEDHO C=C(Cl)CN1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039133230 742988088 /nfs/dbraw/zinc/98/80/88/742988088.db2.gz RNTNELQSMRTYKM-BPQIPLTHSA-N 1 3 353.938 2.640 20 30 FFEDHO CCCCCCC/C=C/CN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275840505 1013070210 /nfs/dbraw/zinc/07/02/10/1013070210.db2.gz MMYCOPGDLICNPE-RQWLHQTBSA-N 1 3 365.562 2.768 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104294435 962378541 /nfs/dbraw/zinc/37/85/41/962378541.db2.gz PTPPUDAFIPOYLR-TZIWHRDSSA-N 1 3 367.537 2.597 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001104345830 963688260 /nfs/dbraw/zinc/68/82/60/963688260.db2.gz VZNPHTHVVLQIIX-NVXWUHKLSA-N 1 3 353.938 2.689 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001104368597 964338162 /nfs/dbraw/zinc/33/81/62/964338162.db2.gz AJJDEOYQSCFDMN-NVXWUHKLSA-N 1 3 364.921 2.735 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659035350 969654565 /nfs/dbraw/zinc/65/45/65/969654565.db2.gz VZLVQSXBXJNVOV-LJQANCHMSA-N 1 3 358.486 2.510 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675714 974980035 /nfs/dbraw/zinc/98/00/35/974980035.db2.gz XPOLISOITCLBKF-HBMCJLEFSA-N 1 3 355.526 2.714 20 30 FFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529790 975360997 /nfs/dbraw/zinc/36/09/97/975360997.db2.gz PLSGUELRAWYYNI-DZFGPLHGSA-N 1 3 365.537 2.993 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211690777 975372480 /nfs/dbraw/zinc/37/24/80/975372480.db2.gz KZIRPMZRQOIBQJ-HBMCJLEFSA-N 1 3 355.526 2.570 20 30 FFEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000969042369 1014763139 /nfs/dbraw/zinc/76/31/39/1014763139.db2.gz PQLUYWMXEPVVGZ-HBMCJLEFSA-N 1 3 355.526 2.879 20 30 FFEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000969042369 1014763147 /nfs/dbraw/zinc/76/31/47/1014763147.db2.gz PQLUYWMXEPVVGZ-HBMCJLEFSA-N 1 3 355.526 2.879 20 30 FFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549543 984667326 /nfs/dbraw/zinc/66/73/26/984667326.db2.gz AUXCXESQVDTTCM-AHRSYUTCSA-N 1 3 351.510 2.746 20 30 FFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549543 984667330 /nfs/dbraw/zinc/66/73/30/984667330.db2.gz AUXCXESQVDTTCM-AHRSYUTCSA-N 1 3 351.510 2.746 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001089179775 986505594 /nfs/dbraw/zinc/50/55/94/986505594.db2.gz GJIMJXJWZXPULT-JRGCBEDISA-N 1 3 368.525 2.711 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001089179775 986505606 /nfs/dbraw/zinc/50/56/06/986505606.db2.gz GJIMJXJWZXPULT-JRGCBEDISA-N 1 3 368.525 2.711 20 30 FFEDHO C#CCN(C(=O)NCc1ccc(C[NH+](CC)CC)cc1)C1CCN(C)CC1 ZINC000913946405 987056733 /nfs/dbraw/zinc/05/67/33/987056733.db2.gz SVMKPYLSPCPDIE-UHFFFAOYSA-N 1 3 370.541 2.767 20 30 FFEDHO C#CCN(C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCN(C)CC1 ZINC000913951856 987063148 /nfs/dbraw/zinc/06/31/48/987063148.db2.gz PKHCEWNRFOVHLM-UHFFFAOYSA-N 1 3 368.525 2.521 20 30 FFEDHO COC[C@@H]1CCCN1Cc1cc(C#N)cc(C[N@@H+]2CCC[C@H]2COC)c1 ZINC000879051126 1015340927 /nfs/dbraw/zinc/34/09/27/1015340927.db2.gz NNNOMXPVNUWRDI-SFTDATJTSA-N 1 3 357.498 2.780 20 30 FFEDHO COC[C@@H]1CCCN1Cc1cc(C#N)cc(C[N@H+]2CCC[C@H]2COC)c1 ZINC000879051126 1015340936 /nfs/dbraw/zinc/34/09/36/1015340936.db2.gz NNNOMXPVNUWRDI-SFTDATJTSA-N 1 3 357.498 2.780 20 30 FFEDHO C#CCN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)C1CCN(C)CC1 ZINC000921361439 991061323 /nfs/dbraw/zinc/06/13/23/991061323.db2.gz DGQMDLDCFZFXMQ-UHFFFAOYSA-N 1 3 360.546 2.523 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086695093 995153355 /nfs/dbraw/zinc/15/33/55/995153355.db2.gz AZJMRCDLCKGSGP-PWRODBHTSA-N 1 3 368.525 2.806 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001086882411 1001300300 /nfs/dbraw/zinc/30/03/00/1001300300.db2.gz PUOSUDAXTVVMTN-PZJWPPBQSA-N 1 3 359.558 2.786 20 30 FFEDHO CCc1nc(C#N)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170525210 1004596894 /nfs/dbraw/zinc/59/68/94/1004596894.db2.gz KNFURUQOXHMGRC-UHFFFAOYSA-N 1 3 374.492 2.820 20 30 FFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001488584963 1005362971 /nfs/dbraw/zinc/36/29/71/1005362971.db2.gz WVVLIMAUFWJSIL-MBOZVWFJSA-N 1 3 351.510 2.698 20 30 FFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001488584963 1005362974 /nfs/dbraw/zinc/36/29/74/1005362974.db2.gz WVVLIMAUFWJSIL-MBOZVWFJSA-N 1 3 351.510 2.698 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccc(OC)cc1 ZINC001489370727 1005465888 /nfs/dbraw/zinc/46/58/88/1005465888.db2.gz YZBXTLJMKSAZLB-VQTJNVASSA-N 1 3 368.481 2.511 20 30 FFEDHO COc1ccnc(N(C(=O)C(C#N)Cc2cccs2)C2CC[NH2+]CC2)c1 ZINC001177910966 1008783107 /nfs/dbraw/zinc/78/31/07/1008783107.db2.gz BWYLJGDPZWSDBQ-AWEZNQCLSA-N 1 3 370.478 2.619 20 30 FFEDHO COc1ccc(CNC(=[NH2+])NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1OC ZINC000303897890 1012506086 /nfs/dbraw/zinc/50/60/86/1012506086.db2.gz VGURCPUIWLDTJE-QRWLVFNGSA-N 1 3 362.518 2.619 20 30 FFEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000838622657 1026443936 /nfs/dbraw/zinc/44/39/36/1026443936.db2.gz IXQQEPHBIVRWFB-CTNGQTDRSA-N 1 3 370.541 2.636 20 30 FFEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000838622657 1026443940 /nfs/dbraw/zinc/44/39/40/1026443940.db2.gz IXQQEPHBIVRWFB-CTNGQTDRSA-N 1 3 370.541 2.636 20 30 FFEDHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)N(C)C ZINC001103111793 1026971176 /nfs/dbraw/zinc/97/11/76/1026971176.db2.gz OZJTWXYSASACCV-UIFIKXQLSA-N 1 3 370.541 2.719 20 30 FFEDHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)N(C)C ZINC001103111793 1026971187 /nfs/dbraw/zinc/97/11/87/1026971187.db2.gz OZJTWXYSASACCV-UIFIKXQLSA-N 1 3 370.541 2.719 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141922 1026997733 /nfs/dbraw/zinc/99/77/33/1026997733.db2.gz ZSZNKCRVIPFOLR-NVXWUHKLSA-N 1 3 353.938 2.689 20 30 FFEDHO CC#CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205312854 1031664532 /nfs/dbraw/zinc/66/45/32/1031664532.db2.gz GKRKUBHBBWXLFB-JRGCBEDISA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205415213 1031726347 /nfs/dbraw/zinc/72/63/47/1031726347.db2.gz KUEZBXTWTWIEHF-ZCNNSNEGSA-N 1 3 359.489 2.626 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1F ZINC001205619365 1031875114 /nfs/dbraw/zinc/87/51/14/1031875114.db2.gz BPTIOEIETBODCU-SXLOBPIMSA-N 1 3 359.489 2.626 20 30 FFEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC001229504273 1036712357 /nfs/dbraw/zinc/71/23/57/1036712357.db2.gz TTWFADSRBKTCNG-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC001229504273 1036712370 /nfs/dbraw/zinc/71/23/70/1036712370.db2.gz TTWFADSRBKTCNG-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO [NH3+]CC1CN([C@@H]2CCCN(Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236079239 1037920867 /nfs/dbraw/zinc/92/08/67/1037920867.db2.gz MUEVTSOQWIVUSC-XMMPIXPASA-N 1 3 359.517 2.941 20 30 FFEDHO N#Cc1cccc(N2C[C@]3(CC[N@H+](CCCN4CCCCC4)C3)CC2=O)c1 ZINC001209450571 1038877136 /nfs/dbraw/zinc/87/71/36/1038877136.db2.gz NKTTXLUEDKRFLJ-JOCHJYFZSA-N 1 3 366.509 2.863 20 30 FFEDHO N#Cc1cccc(N2C[C@]3(CC[N@@H+](CCCN4CCCCC4)C3)CC2=O)c1 ZINC001209450571 1038877155 /nfs/dbraw/zinc/87/71/55/1038877155.db2.gz NKTTXLUEDKRFLJ-JOCHJYFZSA-N 1 3 366.509 2.863 20 30 FFEDHO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001213326045 1040454120 /nfs/dbraw/zinc/45/41/20/1040454120.db2.gz TXCVESXDMVUFJR-VAMGGRTRSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001213326045 1040454126 /nfs/dbraw/zinc/45/41/26/1040454126.db2.gz TXCVESXDMVUFJR-VAMGGRTRSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326045 1040454134 /nfs/dbraw/zinc/45/41/34/1040454134.db2.gz TXCVESXDMVUFJR-VAMGGRTRSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001213326045 1040454135 /nfs/dbraw/zinc/45/41/35/1040454135.db2.gz TXCVESXDMVUFJR-VAMGGRTRSA-N 1 3 363.546 2.565 20 30 FFEDHO N#Cc1ccc(OCC[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001254051541 1040553161 /nfs/dbraw/zinc/55/31/61/1040553161.db2.gz QQYJIXGTAYXMJL-UHFFFAOYSA-N 1 3 365.477 2.554 20 30 FFEDHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215774822 1041878426 /nfs/dbraw/zinc/87/84/26/1041878426.db2.gz YROVWOIQDXFLMV-CEMLEFRQSA-N 1 3 367.537 2.738 20 30 FFEDHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215774822 1041878429 /nfs/dbraw/zinc/87/84/29/1041878429.db2.gz YROVWOIQDXFLMV-CEMLEFRQSA-N 1 3 367.537 2.738 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001262971017 1041998847 /nfs/dbraw/zinc/99/88/47/1041998847.db2.gz YOLJJDBZHGEBSB-QZTJIDSGSA-N 1 3 372.561 2.584 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001262971017 1041998849 /nfs/dbraw/zinc/99/88/49/1041998849.db2.gz YOLJJDBZHGEBSB-QZTJIDSGSA-N 1 3 372.561 2.584 20 30 FFEDHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1)[NH+](C)C ZINC001264486980 1042693357 /nfs/dbraw/zinc/69/33/57/1042693357.db2.gz MZMNXDVXTHKTOX-DBVUQKKJSA-N 1 3 356.514 2.519 20 30 FFEDHO Cn1cc(CN[C@@]23CC[C@@]([NH2+]Cc4cnc(N)s4)(C2)CCC3)cc1C#N ZINC001279694283 1043484058 /nfs/dbraw/zinc/48/40/58/1043484058.db2.gz WBRCIDXKIKFJME-RBUKOAKNSA-N 1 3 370.526 2.660 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cc1 ZINC001334080905 1049236962 /nfs/dbraw/zinc/23/69/62/1049236962.db2.gz CAPZPEQAUVGCAT-WIYYLYMNSA-N 1 3 371.525 2.723 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC001334080905 1049236976 /nfs/dbraw/zinc/23/69/76/1049236976.db2.gz CAPZPEQAUVGCAT-WIYYLYMNSA-N 1 3 371.525 2.723 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001340483905 1050878712 /nfs/dbraw/zinc/87/87/12/1050878712.db2.gz MKYJPDNTTDJKEU-GBESFXJTSA-N 1 3 353.551 2.809 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001516047454 1059941034 /nfs/dbraw/zinc/94/10/34/1059941034.db2.gz PCYYXSZZEIGLAD-OALUTQOASA-N 1 3 372.561 2.728 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000369324104 512352053 /nfs/dbraw/zinc/35/20/53/512352053.db2.gz SDVKYADKAWZDQL-OALUTQOASA-N 1 3 362.562 2.933 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000369324104 512352057 /nfs/dbraw/zinc/35/20/57/512352057.db2.gz SDVKYADKAWZDQL-OALUTQOASA-N 1 3 362.562 2.933 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000106264639 508398658 /nfs/dbraw/zinc/39/86/58/508398658.db2.gz HBTGDKGLFOGEHN-OAQYLSRUSA-N 1 3 370.541 2.991 20 30 FFEDHO C=CCN(CC=C)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248389779 509286787 /nfs/dbraw/zinc/28/67/87/509286787.db2.gz BHJKOFNZNCKKRH-NGRWLJPCSA-N 1 3 355.526 2.933 20 30 FFEDHO Cc1cc(C#N)ccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000186236904 509592568 /nfs/dbraw/zinc/59/25/68/509592568.db2.gz VVZQNFMPFLGGPL-UHFFFAOYSA-N 1 3 370.541 2.783 20 30 FFEDHO CCO[C@H](CC[NH+](C)C)CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000267891132 509656980 /nfs/dbraw/zinc/65/69/80/509656980.db2.gz SAVNOGZBKFPWCJ-HXUWFJFHSA-N 1 3 369.513 2.910 20 30 FFEDHO CC(C)(CCC#N)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000174408693 510100021 /nfs/dbraw/zinc/10/00/21/510100021.db2.gz NFGSKFMWBBVDHI-UHFFFAOYSA-N 1 3 356.514 2.932 20 30 FFEDHO C=CCN1CCC(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000172264901 510637392 /nfs/dbraw/zinc/63/73/92/510637392.db2.gz CBAOXKMPLSOVDR-UHFFFAOYSA-N 1 3 370.541 2.943 20 30 FFEDHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000182090695 510751504 /nfs/dbraw/zinc/75/15/04/510751504.db2.gz YOPXDGUTNIUSCR-INIZCTEOSA-N 1 3 354.454 2.775 20 30 FFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278680630 511003159 /nfs/dbraw/zinc/00/31/59/511003159.db2.gz OYLNLDAJCFTMQE-RTBURBONSA-N 1 3 352.486 2.821 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000280318530 511419322 /nfs/dbraw/zinc/41/93/22/511419322.db2.gz IKPJDKOYKICFLN-VQTJNVASSA-N 1 3 350.466 2.575 20 30 FFEDHO CN1CC[C@@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233840 511515679 /nfs/dbraw/zinc/51/56/79/511515679.db2.gz WAENFDBCRVRCEW-HXUWFJFHSA-N 1 3 372.538 2.855 20 30 FFEDHO CN1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233840 511515685 /nfs/dbraw/zinc/51/56/85/511515685.db2.gz WAENFDBCRVRCEW-HXUWFJFHSA-N 1 3 372.538 2.855 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000329890276 512105540 /nfs/dbraw/zinc/10/55/40/512105540.db2.gz FZIJGTMCSIKWJF-LSDHHAIUSA-N 1 3 350.507 2.843 20 30 FFEDHO C=CCN1CCC(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425446324 513570668 /nfs/dbraw/zinc/57/06/68/513570668.db2.gz DVLUGAMISPMICK-PZJWPPBQSA-N 1 3 368.525 2.553 20 30 FFEDHO C=CCN1CCC(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425446324 513570670 /nfs/dbraw/zinc/57/06/70/513570670.db2.gz DVLUGAMISPMICK-PZJWPPBQSA-N 1 3 368.525 2.553 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C(C)C ZINC000417073667 514154673 /nfs/dbraw/zinc/15/46/73/514154673.db2.gz YJHKSIJTFTXQQB-PWRODBHTSA-N 1 3 370.541 2.821 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C(C)C ZINC000457738367 516110416 /nfs/dbraw/zinc/11/04/16/516110416.db2.gz GBCZRLLNSVXDBD-FPOVZHCZSA-N 1 3 362.562 2.812 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000457738367 516110422 /nfs/dbraw/zinc/11/04/22/516110422.db2.gz GBCZRLLNSVXDBD-FPOVZHCZSA-N 1 3 362.562 2.812 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC000518626095 516727370 /nfs/dbraw/zinc/72/73/70/516727370.db2.gz FZCMLOJQPDNSQL-VQTJNVASSA-N 1 3 362.562 2.955 20 30 FFEDHO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602878854 519943751 /nfs/dbraw/zinc/94/37/51/519943751.db2.gz ZLXYNGVFIHCCFP-GOSISDBHSA-N 1 3 354.498 2.739 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(C)C ZINC000591561213 519951781 /nfs/dbraw/zinc/95/17/81/519951781.db2.gz SDMMAYSVHZNZSB-VQTJNVASSA-N 1 3 362.562 2.955 20 30 FFEDHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)C1 ZINC000594440643 519966162 /nfs/dbraw/zinc/96/61/62/519966162.db2.gz HGTPBUCSWOGKMT-YLJYHZDGSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)C1 ZINC000594440643 519966171 /nfs/dbraw/zinc/96/61/71/519966171.db2.gz HGTPBUCSWOGKMT-YLJYHZDGSA-N 1 3 356.514 2.946 20 30 FFEDHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCCC#N ZINC000594439866 519967432 /nfs/dbraw/zinc/96/74/32/519967432.db2.gz VOGUGJDTVZBEOB-WOJBJXKFSA-N 1 3 356.514 2.768 20 30 FFEDHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCCC#N ZINC000594439866 519967437 /nfs/dbraw/zinc/96/74/37/519967437.db2.gz VOGUGJDTVZBEOB-WOJBJXKFSA-N 1 3 356.514 2.768 20 30 FFEDHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609137203 520203485 /nfs/dbraw/zinc/20/34/85/520203485.db2.gz RDVWWFSDBABTQQ-HXUWFJFHSA-N 1 3 359.514 2.545 20 30 FFEDHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609137203 520203498 /nfs/dbraw/zinc/20/34/98/520203498.db2.gz RDVWWFSDBABTQQ-HXUWFJFHSA-N 1 3 359.514 2.545 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000596862635 521339939 /nfs/dbraw/zinc/33/99/39/521339939.db2.gz XGRSTKWYYBTVEU-GOSISDBHSA-N 1 3 363.550 2.518 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000596862635 521339945 /nfs/dbraw/zinc/33/99/45/521339945.db2.gz XGRSTKWYYBTVEU-GOSISDBHSA-N 1 3 363.550 2.518 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)cc1 ZINC000104159854 728500732 /nfs/dbraw/zinc/50/07/32/728500732.db2.gz KBFNWUNSJJTCFL-AWEZNQCLSA-N 1 3 358.408 2.516 20 30 FFEDHO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccsc1 ZINC000104166775 728500985 /nfs/dbraw/zinc/50/09/85/728500985.db2.gz LQFQDFWCMQQVGD-SJORKVTESA-N 1 3 351.564 2.520 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CSc1ccccc1OC ZINC000303975271 729736082 /nfs/dbraw/zinc/73/60/82/729736082.db2.gz IZZKZAWKOVNLOQ-HOTGVXAUSA-N 1 3 364.559 2.812 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000876900973 732294828 /nfs/dbraw/zinc/29/48/28/732294828.db2.gz VVANWFZWNMGNRW-FHWLQOOXSA-N 1 3 361.917 2.969 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000876900973 732294830 /nfs/dbraw/zinc/29/48/30/732294830.db2.gz VVANWFZWNMGNRW-FHWLQOOXSA-N 1 3 361.917 2.969 20 30 FFEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OCC#N ZINC000774728402 738019503 /nfs/dbraw/zinc/01/95/03/738019503.db2.gz MALYVPZVASXXMM-UHFFFAOYSA-N 1 3 364.921 2.700 20 30 FFEDHO [NH2+]=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCCCCC1 ZINC000305071224 1013077876 /nfs/dbraw/zinc/07/78/76/1013077876.db2.gz OSUFIOJCSLRMNE-UHFFFAOYSA-N 1 3 357.546 2.780 20 30 FFEDHO C=C(C)CN1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083417 972354438 /nfs/dbraw/zinc/35/44/38/972354438.db2.gz YDPCKUWWNMLQCX-AABGKKOBSA-N 1 3 355.526 2.735 20 30 FFEDHO C=C(C)CN1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083417 972354445 /nfs/dbraw/zinc/35/44/45/972354445.db2.gz YDPCKUWWNMLQCX-AABGKKOBSA-N 1 3 355.526 2.735 20 30 FFEDHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087212768 966579807 /nfs/dbraw/zinc/57/98/07/966579807.db2.gz PIPHHAMPZATBPG-LQWHRVPQSA-N 1 3 368.525 2.759 20 30 FFEDHO Cc1cc(C)n([C@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000329073934 966617020 /nfs/dbraw/zinc/61/70/20/966617020.db2.gz PAXTYKFORYXFQI-QGZVFWFLSA-N 1 3 361.534 2.966 20 30 FFEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681960 970094136 /nfs/dbraw/zinc/09/41/36/970094136.db2.gz UUBFELZFHXAESL-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CC[C@H](N2CCCCC2)C1 ZINC000262493619 973746724 /nfs/dbraw/zinc/74/67/24/973746724.db2.gz VQZCBVYCOXFRPJ-SFHVURJKSA-N 1 3 366.513 2.712 20 30 FFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106665749 988608290 /nfs/dbraw/zinc/60/82/90/988608290.db2.gz AOGUXTURSYEBRH-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)CC[C@H]1c1ccc(F)cc1 ZINC001079162532 991868758 /nfs/dbraw/zinc/86/87/58/991868758.db2.gz OVPJCNPRKVPRIZ-HBMCJLEFSA-N 1 3 371.500 2.607 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187696 991898354 /nfs/dbraw/zinc/89/83/54/991898354.db2.gz URLSAZLFGGBDDW-ZCNNSNEGSA-N 1 3 359.489 2.626 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081231841 993770411 /nfs/dbraw/zinc/77/04/11/993770411.db2.gz QRPGBZMKWVJKRP-FCHUYYIVSA-N 1 3 361.489 2.579 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001131564385 994404695 /nfs/dbraw/zinc/40/46/95/994404695.db2.gz KVQKPTNEZDHEST-QUCCMNQESA-N 1 3 365.562 2.526 20 30 FFEDHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042249 1015928786 /nfs/dbraw/zinc/92/87/86/1015928786.db2.gz SOWZYOUZFQRKLK-DUXKGJEZSA-N 1 3 355.526 2.836 20 30 FFEDHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042249 1015928797 /nfs/dbraw/zinc/92/87/97/1015928797.db2.gz SOWZYOUZFQRKLK-DUXKGJEZSA-N 1 3 355.526 2.836 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C)c2)CC1 ZINC001096605612 1016342988 /nfs/dbraw/zinc/34/29/88/1016342988.db2.gz XCHKQCXGPJQQLL-FSSWDIPSSA-N 1 3 365.521 2.562 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C)c2)CC1 ZINC001096605612 1016343000 /nfs/dbraw/zinc/34/30/00/1016343000.db2.gz XCHKQCXGPJQQLL-FSSWDIPSSA-N 1 3 365.521 2.562 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC1 ZINC001096607828 1016347963 /nfs/dbraw/zinc/34/79/63/1016347963.db2.gz JWUSFGBHSMQWAG-HKBOAZHASA-N 1 3 357.542 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC1 ZINC001096607828 1016347972 /nfs/dbraw/zinc/34/79/72/1016347972.db2.gz JWUSFGBHSMQWAG-HKBOAZHASA-N 1 3 357.542 2.633 20 30 FFEDHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990818 1012129455 /nfs/dbraw/zinc/12/94/55/1012129455.db2.gz RQIDRAJRXBYVMC-MHORFTMASA-N 1 3 362.518 2.552 20 30 FFEDHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@@H]2C1 ZINC001172990818 1012129457 /nfs/dbraw/zinc/12/94/57/1012129457.db2.gz RQIDRAJRXBYVMC-MHORFTMASA-N 1 3 362.518 2.552 20 30 FFEDHO C[C@@H]1CCCN(C(=[NH2+])NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000303909761 1012515838 /nfs/dbraw/zinc/51/58/38/1012515838.db2.gz YMKBAYINNOKNFX-HXUWFJFHSA-N 1 3 371.573 2.631 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001111455346 1017948345 /nfs/dbraw/zinc/94/83/45/1017948345.db2.gz ZOZFBMYFFXGFBU-KCLUMXDGSA-N 1 3 359.558 2.735 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001111455346 1017948355 /nfs/dbraw/zinc/94/83/55/1017948355.db2.gz ZOZFBMYFFXGFBU-KCLUMXDGSA-N 1 3 359.558 2.735 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C)c2)CC1 ZINC001098461344 1020929525 /nfs/dbraw/zinc/92/95/25/1020929525.db2.gz XCHKQCXGPJQQLL-VSKRKVRLSA-N 1 3 365.521 2.562 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C)c2)CC1 ZINC001098461344 1020929529 /nfs/dbraw/zinc/92/95/29/1020929529.db2.gz XCHKQCXGPJQQLL-VSKRKVRLSA-N 1 3 365.521 2.562 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC(C)CC2)CC1 ZINC001098462943 1020931155 /nfs/dbraw/zinc/93/11/55/1020931155.db2.gz VVYLKCOXEQMSFV-UPJCBYLFSA-N 1 3 371.569 2.879 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC(C)CC2)CC1 ZINC001098462943 1020931163 /nfs/dbraw/zinc/93/11/63/1020931163.db2.gz VVYLKCOXEQMSFV-UPJCBYLFSA-N 1 3 371.569 2.879 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331216 1023195726 /nfs/dbraw/zinc/19/57/26/1023195726.db2.gz JWPXDHPQUNHSOU-MHTWAQMVSA-N 1 3 368.525 2.815 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331216 1023195729 /nfs/dbraw/zinc/19/57/29/1023195729.db2.gz JWPXDHPQUNHSOU-MHTWAQMVSA-N 1 3 368.525 2.815 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331214 1023196005 /nfs/dbraw/zinc/19/60/05/1023196005.db2.gz JWPXDHPQUNHSOU-IVAOSVALSA-N 1 3 368.525 2.815 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331214 1023196010 /nfs/dbraw/zinc/19/60/10/1023196010.db2.gz JWPXDHPQUNHSOU-IVAOSVALSA-N 1 3 368.525 2.815 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CCCC(C)C)C[C@H]2C)CC1 ZINC001103751688 1028137645 /nfs/dbraw/zinc/13/76/45/1028137645.db2.gz MHSOIFFHPBKAIS-TZIWHRDSSA-N 1 3 361.574 2.842 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCCC(C)C)C[C@H]2C)CC1 ZINC001103751688 1028137651 /nfs/dbraw/zinc/13/76/51/1028137651.db2.gz MHSOIFFHPBKAIS-TZIWHRDSSA-N 1 3 361.574 2.842 20 30 FFEDHO CC(C)[N@@H+]1CC[C@@H](Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001163373180 1028909970 /nfs/dbraw/zinc/90/99/70/1028909970.db2.gz YKSPXERZCQTCCS-OWCLPIDISA-N 1 3 373.501 2.956 20 30 FFEDHO CC(C)[N@H+]1CC[C@@H](Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001163373180 1028909978 /nfs/dbraw/zinc/90/99/78/1028909978.db2.gz YKSPXERZCQTCCS-OWCLPIDISA-N 1 3 373.501 2.956 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C(F)(F)F ZINC001112102362 1030008473 /nfs/dbraw/zinc/00/84/73/1030008473.db2.gz FKIJCIWGFGSBIA-HUUCEWRRSA-N 1 3 361.452 2.806 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205313024 1031665178 /nfs/dbraw/zinc/66/51/78/1031665178.db2.gz NTBXIWTYGNLJBB-JRGCBEDISA-N 1 3 371.500 2.607 20 30 FFEDHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001228646275 1036228043 /nfs/dbraw/zinc/22/80/43/1036228043.db2.gz CZOICUMYVPSWRE-QRVBRYPASA-N 1 3 360.477 2.555 20 30 FFEDHO C#Cc1cccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001231657829 1037783404 /nfs/dbraw/zinc/78/34/04/1037783404.db2.gz VGBWUYOMFBWRNS-FGZHOGPDSA-N 1 3 365.521 2.575 20 30 FFEDHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001255953016 1038270626 /nfs/dbraw/zinc/27/06/26/1038270626.db2.gz HSGYVUPAFVKNQS-KRWDZBQOSA-N 1 3 356.514 2.873 20 30 FFEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001246305476 1039307984 /nfs/dbraw/zinc/30/79/84/1039307984.db2.gz HYQMJCWUASMYAE-SFTDATJTSA-N 1 3 373.541 2.858 20 30 FFEDHO C=CCN1CC[C@@]2(C[N@H+]([C@H]3CCN[C@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246703811 1039444350 /nfs/dbraw/zinc/44/43/50/1039444350.db2.gz SBYSZGQNWOMBKW-KHHDVDEJSA-N 1 3 353.510 2.631 20 30 FFEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCN[C@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246703811 1039444357 /nfs/dbraw/zinc/44/43/57/1039444357.db2.gz SBYSZGQNWOMBKW-KHHDVDEJSA-N 1 3 353.510 2.631 20 30 FFEDHO C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001264001610 1042574771 /nfs/dbraw/zinc/57/47/71/1042574771.db2.gz AOSCUUWGYXRAKC-UWVAXJGDSA-N 1 3 353.526 2.992 20 30 FFEDHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001264592835 1042730996 /nfs/dbraw/zinc/73/09/96/1042730996.db2.gz UJMLBWSQVIBFMD-FGZHOGPDSA-N 1 3 367.537 2.860 20 30 FFEDHO COc1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)ccc1C#N ZINC001238414818 1043695278 /nfs/dbraw/zinc/69/52/78/1043695278.db2.gz ZPAHIQZULMABCU-UHFFFAOYSA-N 1 3 357.498 2.891 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001515823524 1059818293 /nfs/dbraw/zinc/81/82/93/1059818293.db2.gz PCYYXSZZEIGLAD-RTBURBONSA-N 1 3 372.561 2.728 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001521697073 1061080169 /nfs/dbraw/zinc/08/01/69/1061080169.db2.gz FSPBKLHIFUKUQB-QYZOEREBSA-N 1 3 353.551 2.809 20 30 FFEDHO Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1Cl ZINC001579618937 1078651065 /nfs/dbraw/zinc/65/10/65/1078651065.db2.gz XZHUIFZYFJFPAQ-HZPDHXFCSA-N 1 3 362.905 2.812 20 30 FFEDHO CCN1CCC(Nc2nc(NC3CC[NH+](CC)CC3)ccc2C#N)CC1 ZINC000302852990 258112396 /nfs/dbraw/zinc/11/23/96/258112396.db2.gz QPNJLWQAXUVVHF-UHFFFAOYSA-N 1 3 356.518 2.746 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(SCC#N)c1 ZINC000079539053 507972894 /nfs/dbraw/zinc/97/28/94/507972894.db2.gz IWLWZSABUIOAID-GOSISDBHSA-N 1 3 374.554 2.790 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(SCC#N)c1 ZINC000079539053 507972896 /nfs/dbraw/zinc/97/28/96/507972896.db2.gz IWLWZSABUIOAID-GOSISDBHSA-N 1 3 374.554 2.790 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)C(C)C ZINC000264751621 509683481 /nfs/dbraw/zinc/68/34/81/509683481.db2.gz OBURMUZZPOZBTC-IBGZPJMESA-N 1 3 350.551 2.857 20 30 FFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278680621 511003130 /nfs/dbraw/zinc/00/31/30/511003130.db2.gz OYLNLDAJCFTMQE-OALUTQOASA-N 1 3 352.486 2.821 20 30 FFEDHO N#Cc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414550587 514174243 /nfs/dbraw/zinc/17/42/43/514174243.db2.gz DFRFDKSEIPLXSM-UHFFFAOYSA-N 1 3 362.477 2.545 20 30 FFEDHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452341383 514293247 /nfs/dbraw/zinc/29/32/47/514293247.db2.gz CTUJAXUTFIJKNZ-UXHICEINSA-N 1 3 352.482 2.867 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000523789790 516578619 /nfs/dbraw/zinc/57/86/19/516578619.db2.gz DYZWMHFBMDNHLY-MOPGFXCFSA-N 1 3 350.551 2.668 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000523789790 516578626 /nfs/dbraw/zinc/57/86/26/516578626.db2.gz DYZWMHFBMDNHLY-MOPGFXCFSA-N 1 3 350.551 2.668 20 30 FFEDHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000542211851 517440106 /nfs/dbraw/zinc/44/01/06/517440106.db2.gz TVUQJBTVKMWFAU-UHFFFAOYSA-N 1 3 370.541 2.813 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000602558977 521412311 /nfs/dbraw/zinc/41/23/11/521412311.db2.gz ROBVCGDPXNTDSM-LJQANCHMSA-N 1 3 362.562 2.625 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)CC2)CC1 ZINC000594296427 521543668 /nfs/dbraw/zinc/54/36/68/521543668.db2.gz NLSLFYABJHXZOL-DYESRHJHSA-N 1 3 360.546 2.771 20 30 FFEDHO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044533090 727987210 /nfs/dbraw/zinc/98/72/10/727987210.db2.gz QDBAXCZACFKHIG-AWEZNQCLSA-N 1 3 351.288 2.893 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOCc1ccc(Cl)cc1Cl ZINC000305759129 729738231 /nfs/dbraw/zinc/73/82/31/729738231.db2.gz BNGQIMAMKARFNH-HNNXBMFYSA-N 1 3 373.328 2.899 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2Cl)CC1 ZINC000305729037 729738347 /nfs/dbraw/zinc/73/83/47/729738347.db2.gz SVMUECIUXXOERC-AWEZNQCLSA-N 1 3 352.885 2.899 20 30 FFEDHO C[N@@H+]1CC[C@@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000795340178 740006031 /nfs/dbraw/zinc/00/60/31/740006031.db2.gz ZGRYUUWKTRFPOX-AUUYWEPGSA-N 1 3 354.479 2.500 20 30 FFEDHO C[N@H+]1CC[C@@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000795340178 740006032 /nfs/dbraw/zinc/00/60/32/740006032.db2.gz ZGRYUUWKTRFPOX-AUUYWEPGSA-N 1 3 354.479 2.500 20 30 FFEDHO C[NH+](C)CC1(CN2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)CCCC1 ZINC001275863330 1013112950 /nfs/dbraw/zinc/11/29/50/1013112950.db2.gz YXFBIFVHYBFDTQ-GOSISDBHSA-N 1 3 360.546 2.630 20 30 FFEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681096 970092486 /nfs/dbraw/zinc/09/24/86/970092486.db2.gz DBGDBMAQMDMFCP-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531673 975956916 /nfs/dbraw/zinc/95/69/16/975956916.db2.gz KPVOGNQCUCNULS-LPHOPBHVSA-N 1 3 355.954 2.935 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403816 986151633 /nfs/dbraw/zinc/15/16/33/986151633.db2.gz WQBPZLCTQAQVDS-VAMGGRTRSA-N 1 3 365.562 2.811 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403816 986151634 /nfs/dbraw/zinc/15/16/34/986151634.db2.gz WQBPZLCTQAQVDS-VAMGGRTRSA-N 1 3 365.562 2.811 20 30 FFEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001049745466 1016239130 /nfs/dbraw/zinc/23/91/30/1016239130.db2.gz FXKIUFUJRXIHAE-MHTWAQMVSA-N 1 3 353.510 2.583 20 30 FFEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049745466 1016239134 /nfs/dbraw/zinc/23/91/34/1016239134.db2.gz FXKIUFUJRXIHAE-MHTWAQMVSA-N 1 3 353.510 2.583 20 30 FFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001049745467 1016238439 /nfs/dbraw/zinc/23/84/39/1016238439.db2.gz FXKIUFUJRXIHAE-PLACYPQZSA-N 1 3 353.510 2.583 20 30 FFEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049745467 1016238443 /nfs/dbraw/zinc/23/84/43/1016238443.db2.gz FXKIUFUJRXIHAE-PLACYPQZSA-N 1 3 353.510 2.583 20 30 FFEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1CN(C)C)C2 ZINC001112585345 1001543495 /nfs/dbraw/zinc/54/34/95/1001543495.db2.gz SAACOTNISLPBOR-UGKGYDQZSA-N 1 3 353.510 2.603 20 30 FFEDHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086711780 1005955934 /nfs/dbraw/zinc/95/59/34/1005955934.db2.gz AYYORSIMYFSUQZ-PWRODBHTSA-N 1 3 368.525 2.807 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1Oc1cccc(F)c1 ZINC000104164963 1009930199 /nfs/dbraw/zinc/93/01/99/1009930199.db2.gz FWPAYCVZSAVVQQ-KRWDZBQOSA-N 1 3 371.460 2.902 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001182345749 1010520049 /nfs/dbraw/zinc/52/00/49/1010520049.db2.gz OQDYKWKIFYWTFC-SFTDATJTSA-N 1 3 355.526 2.974 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182345749 1010520057 /nfs/dbraw/zinc/52/00/57/1010520057.db2.gz OQDYKWKIFYWTFC-SFTDATJTSA-N 1 3 355.526 2.974 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001094241466 1010984656 /nfs/dbraw/zinc/98/46/56/1010984656.db2.gz GHTMSAHJHOVGTJ-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CC(C)CN1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172984257 1012152361 /nfs/dbraw/zinc/15/23/61/1012152361.db2.gz LDSKYFIFWOUOLT-ROUUACIJSA-N 1 3 364.534 2.988 20 30 FFEDHO COc1ccc(OC)c(NC(=[NH2+])NCCCN(C)Cc2ccccc2)c1 ZINC000303780851 1012428108 /nfs/dbraw/zinc/42/81/08/1012428108.db2.gz LSWCRVMTDOUGLF-UHFFFAOYSA-N 1 3 356.470 2.953 20 30 FFEDHO C[C@@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)CN1CCN(C)CC1 ZINC000303870233 1012476167 /nfs/dbraw/zinc/47/61/67/1012476167.db2.gz FHFUHCQYIIHYEH-IBGZPJMESA-N 1 3 357.546 2.824 20 30 FFEDHO [NH2+]=C(NCCCCN1CCN(c2ccccc2)CC1)NC1CCCCC1 ZINC000303878096 1012478808 /nfs/dbraw/zinc/47/88/08/1012478808.db2.gz FTGGESZXSHQXBF-UHFFFAOYSA-N 1 3 357.546 2.826 20 30 FFEDHO C#CCN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C1CCN(C)CC1 ZINC000925059765 1017601431 /nfs/dbraw/zinc/60/14/31/1017601431.db2.gz LBNKXQSGIDAEIM-UHFFFAOYSA-N 1 3 360.546 2.523 20 30 FFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015521 1019898773 /nfs/dbraw/zinc/89/87/73/1019898773.db2.gz JFGFPFKNEURGPA-YLAKUSLOSA-N 1 3 351.510 2.887 20 30 FFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015521 1019898788 /nfs/dbraw/zinc/89/87/88/1019898788.db2.gz JFGFPFKNEURGPA-YLAKUSLOSA-N 1 3 351.510 2.887 20 30 FFEDHO C#CCCC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@@H]2c1ccccc1 ZINC001276383776 1019919299 /nfs/dbraw/zinc/91/92/99/1019919299.db2.gz IIKYUTPPNJMPLS-HXUWFJFHSA-N 1 3 353.510 2.627 20 30 FFEDHO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103084107 1026945037 /nfs/dbraw/zinc/94/50/37/1026945037.db2.gz YXWCYQTYNPWVQM-TZIWHRDSSA-N 1 3 367.537 2.597 20 30 FFEDHO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103084107 1026945042 /nfs/dbraw/zinc/94/50/42/1026945042.db2.gz YXWCYQTYNPWVQM-TZIWHRDSSA-N 1 3 367.537 2.597 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC(C)C)c1ccccc1OC ZINC000248628703 1027735236 /nfs/dbraw/zinc/73/52/36/1027735236.db2.gz GAOZMSAVSLEBFE-VQIMIIECSA-N 1 3 362.518 2.550 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NCCC2(CNCc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC001164578478 1029327512 /nfs/dbraw/zinc/32/75/12/1029327512.db2.gz CAFBBLLWRIAFMU-VQTJNVASSA-N 1 3 368.525 2.665 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NCCC2(CNCc3ccccc3C#N)CC2)CC[N@H+]1C ZINC001164578478 1029327520 /nfs/dbraw/zinc/32/75/20/1029327520.db2.gz CAFBBLLWRIAFMU-VQTJNVASSA-N 1 3 368.525 2.665 20 30 FFEDHO C#CCN(Cc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCc2ccccc21 ZINC001232365883 1035628332 /nfs/dbraw/zinc/62/83/32/1035628332.db2.gz KKMQDWLCEIRSHY-JOCHJYFZSA-N 1 3 360.505 2.956 20 30 FFEDHO C#CC[N@@H+](Cc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCc2ccccc21 ZINC001232365883 1035628338 /nfs/dbraw/zinc/62/83/38/1035628338.db2.gz KKMQDWLCEIRSHY-JOCHJYFZSA-N 1 3 360.505 2.956 20 30 FFEDHO C#CC[N@H+](Cc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCc2ccccc21 ZINC001232365883 1035628344 /nfs/dbraw/zinc/62/83/44/1035628344.db2.gz KKMQDWLCEIRSHY-JOCHJYFZSA-N 1 3 360.505 2.956 20 30 FFEDHO C#CCN(Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCc2ccccc21 ZINC001232365883 1035628348 /nfs/dbraw/zinc/62/83/48/1035628348.db2.gz KKMQDWLCEIRSHY-JOCHJYFZSA-N 1 3 360.505 2.956 20 30 FFEDHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001229232066 1036565157 /nfs/dbraw/zinc/56/51/57/1036565157.db2.gz XJRJMTDEGVFHKS-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccc(F)cc2)C1 ZINC001229692910 1036833388 /nfs/dbraw/zinc/83/33/88/1036833388.db2.gz MOSPPMOZYUZONX-CEWLAPEOSA-N 1 3 371.500 2.536 20 30 FFEDHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccc(F)cc2)C1 ZINC001229692910 1036833408 /nfs/dbraw/zinc/83/34/08/1036833408.db2.gz MOSPPMOZYUZONX-CEWLAPEOSA-N 1 3 371.500 2.536 20 30 FFEDHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001230266342 1037183515 /nfs/dbraw/zinc/18/35/15/1037183515.db2.gz BNABSGZSDWVKON-FGZHOGPDSA-N 1 3 367.537 2.931 20 30 FFEDHO [NH3+]CC1CN([C@H]2CCCN(Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001236079238 1037919191 /nfs/dbraw/zinc/91/91/91/1037919191.db2.gz MUEVTSOQWIVUSC-DEOSSOPVSA-N 1 3 359.517 2.941 20 30 FFEDHO C(#Cc1ccccc1CN1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001236128368 1037943472 /nfs/dbraw/zinc/94/34/72/1037943472.db2.gz OSKMXKDELXVFIH-UHFFFAOYSA-N 1 3 359.517 2.956 20 30 FFEDHO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)no1 ZINC001279403220 1043062091 /nfs/dbraw/zinc/06/20/91/1043062091.db2.gz PFHQYNBMWQKJBW-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)no1 ZINC001279403220 1043062096 /nfs/dbraw/zinc/06/20/96/1043062096.db2.gz PFHQYNBMWQKJBW-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO Cn1cncc1N1CCC2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001280120238 1044248602 /nfs/dbraw/zinc/24/86/02/1044248602.db2.gz MTPYKBWANUAORJ-UHFFFAOYSA-N 1 3 352.486 2.513 20 30 FFEDHO Cn1cncc1N1CCC2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001280120238 1044248615 /nfs/dbraw/zinc/24/86/15/1044248615.db2.gz MTPYKBWANUAORJ-UHFFFAOYSA-N 1 3 352.486 2.513 20 30 FFEDHO N#CCCC[C@@H](N)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001341465755 1051821108 /nfs/dbraw/zinc/82/11/08/1051821108.db2.gz LRXGFGODPRPHCV-LJQANCHMSA-N 1 3 354.498 2.621 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001343932779 1052496744 /nfs/dbraw/zinc/49/67/44/1052496744.db2.gz MGGRTRNTJWFOCD-INDMIFKZSA-N 1 3 353.551 2.952 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001343967456 1052518538 /nfs/dbraw/zinc/51/85/38/1052518538.db2.gz YYSMLNPAQGTZFY-OALUTQOASA-N 1 3 372.561 2.728 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2cccc(Br)c2)CC1 ZINC001335439140 1053363170 /nfs/dbraw/zinc/36/31/70/1053363170.db2.gz AWOWTZCOHFTXJR-KRWDZBQOSA-N 1 3 351.288 2.560 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccccc2Br)CC1 ZINC001336784172 1054225017 /nfs/dbraw/zinc/22/50/17/1054225017.db2.gz DDPZYMVVXHILMD-KRWDZBQOSA-N 1 3 351.288 2.560 20 30 FFEDHO CN1CCN(CC2(C)CC[NH+](CCCOc3ccc(C#N)cc3)CC2)CC1 ZINC000373255504 512242619 /nfs/dbraw/zinc/24/26/19/512242619.db2.gz LEKSOYUOQBBQAI-UHFFFAOYSA-N 1 3 370.541 2.677 20 30 FFEDHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC1 ZINC000073107975 507894344 /nfs/dbraw/zinc/89/43/44/507894344.db2.gz LQMRTYCTNUSQHL-UHFFFAOYSA-N 1 3 356.514 2.569 20 30 FFEDHO N#CCCCOc1cccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000076762242 508251679 /nfs/dbraw/zinc/25/16/79/508251679.db2.gz WLALDWVSBCCZJM-LJQANCHMSA-N 1 3 357.498 2.960 20 30 FFEDHO CCc1cccc(CC)c1NC(=[NH2+])NCCCCN1CCN(CC)CC1 ZINC000104170012 508329659 /nfs/dbraw/zinc/32/96/59/508329659.db2.gz WCMAHHGEVHGQKG-UHFFFAOYSA-N 1 3 359.562 2.956 20 30 FFEDHO C[NH+](C)CCCOc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123616282 508715218 /nfs/dbraw/zinc/71/52/18/508715218.db2.gz CTIXTNINFIGIKN-UHFFFAOYSA-N 1 3 363.465 2.826 20 30 FFEDHO COc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1C#N ZINC000174284663 510038915 /nfs/dbraw/zinc/03/89/15/510038915.db2.gz ZOMYBLUBHGLQEJ-UHFFFAOYSA-N 1 3 364.493 2.604 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000245678836 510079929 /nfs/dbraw/zinc/07/99/29/510079929.db2.gz GFAKZSGNXBZNJA-GBESFXJTSA-N 1 3 350.551 2.809 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000245678836 510079934 /nfs/dbraw/zinc/07/99/34/510079934.db2.gz GFAKZSGNXBZNJA-GBESFXJTSA-N 1 3 350.551 2.809 20 30 FFEDHO COc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1C#N ZINC000180988122 510225220 /nfs/dbraw/zinc/22/52/20/510225220.db2.gz QTICLXNOTCUMNB-OAQYLSRUSA-N 1 3 365.477 2.813 20 30 FFEDHO COc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1C#N ZINC000180988122 510225228 /nfs/dbraw/zinc/22/52/28/510225228.db2.gz QTICLXNOTCUMNB-OAQYLSRUSA-N 1 3 365.477 2.813 20 30 FFEDHO [NH2+]=C(NCc1ccc(CN2CCC(O)CC2)cc1)Nc1cc(F)ccc1F ZINC000262260824 510225165 /nfs/dbraw/zinc/22/51/65/510225165.db2.gz GHVWMNDXFCXVCC-UHFFFAOYSA-N 1 3 374.435 2.848 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000171707909 510320951 /nfs/dbraw/zinc/32/09/51/510320951.db2.gz GXMWJRIEWVYBJW-IBGZPJMESA-N 1 3 350.551 2.837 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000266611865 510687300 /nfs/dbraw/zinc/68/73/00/510687300.db2.gz BRDDTQCHAYMSMY-GOSISDBHSA-N 1 3 369.509 2.691 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000266611865 510687307 /nfs/dbraw/zinc/68/73/07/510687307.db2.gz BRDDTQCHAYMSMY-GOSISDBHSA-N 1 3 369.509 2.691 20 30 FFEDHO COc1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1C#N ZINC000281754819 511955078 /nfs/dbraw/zinc/95/50/78/511955078.db2.gz RFKBCPFBHINJRM-NRFANRHFSA-N 1 3 365.477 2.813 20 30 FFEDHO COc1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C#N ZINC000281754819 511955083 /nfs/dbraw/zinc/95/50/83/511955083.db2.gz RFKBCPFBHINJRM-NRFANRHFSA-N 1 3 365.477 2.813 20 30 FFEDHO C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413264462 513557253 /nfs/dbraw/zinc/55/72/53/513557253.db2.gz MIBCZOMYMYIAMN-KURKYZTESA-N 1 3 356.514 2.710 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417520079 514390714 /nfs/dbraw/zinc/39/07/14/514390714.db2.gz BOMAXDXRPXDCQO-HXUWFJFHSA-N 1 3 352.482 2.789 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC(C)(C)[C@H]3C#N)CC2)CC1 ZINC000553239750 517594322 /nfs/dbraw/zinc/59/43/22/517594322.db2.gz VCYBUJGZPRQRES-LJQANCHMSA-N 1 3 360.546 2.723 20 30 FFEDHO C=CCOc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248480 517654249 /nfs/dbraw/zinc/65/42/49/517654249.db2.gz KZQKBJHTJDZWIH-IBGZPJMESA-N 1 3 360.498 2.851 20 30 FFEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CC2 ZINC000574946680 519415844 /nfs/dbraw/zinc/41/58/44/519415844.db2.gz SWKPRTKLJGIMAY-QFIPXVFZSA-N 1 3 361.493 2.742 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594436639 519963316 /nfs/dbraw/zinc/96/33/16/519963316.db2.gz FDRPALFCZZYEDS-KVPLUYHFSA-N 1 3 356.514 2.670 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594436639 519963321 /nfs/dbraw/zinc/96/33/21/519963321.db2.gz FDRPALFCZZYEDS-KVPLUYHFSA-N 1 3 356.514 2.670 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000594446288 519971067 /nfs/dbraw/zinc/97/10/67/519971067.db2.gz PBISJAZVAWCAEL-FQEVSTJZSA-N 1 3 368.525 2.912 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000594446288 519971077 /nfs/dbraw/zinc/97/10/77/519971077.db2.gz PBISJAZVAWCAEL-FQEVSTJZSA-N 1 3 368.525 2.912 20 30 FFEDHO C[NH+](C)CC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000609157091 520213383 /nfs/dbraw/zinc/21/33/83/520213383.db2.gz RJUYXWVFDMNUEW-UHFFFAOYSA-N 1 3 360.527 2.711 20 30 FFEDHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000594966544 520232382 /nfs/dbraw/zinc/23/23/82/520232382.db2.gz SSKPMWTVMOBTOO-AWEZNQCLSA-N 1 3 356.436 2.939 20 30 FFEDHO CC[NH+](CC)Cc1ccccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600715639 520416202 /nfs/dbraw/zinc/41/62/02/520416202.db2.gz ULVVQVQZHJPKMH-HXUWFJFHSA-N 1 3 359.514 2.689 20 30 FFEDHO C[NH+](C)CCOc1ccc(CCNCc2cc(C#N)cnc2Cl)cc1 ZINC000877013526 732311843 /nfs/dbraw/zinc/31/18/43/732311843.db2.gz BKVSUPGARQUDHR-UHFFFAOYSA-N 1 3 358.873 2.879 20 30 FFEDHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001104363103 964092350 /nfs/dbraw/zinc/09/23/50/964092350.db2.gz ZASOPIVOAXKWGH-YLJYHZDGSA-N 1 3 370.541 2.863 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211616108 968028912 /nfs/dbraw/zinc/02/89/12/968028912.db2.gz XCWXBPDVACYGOH-PWRODBHTSA-N 1 3 355.526 2.877 20 30 FFEDHO C=CC[C@]1(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CCC[NH2+]1 ZINC000662754507 973955686 /nfs/dbraw/zinc/95/56/86/973955686.db2.gz PRUARSMGBWJCSF-OAQYLSRUSA-N 1 3 356.514 2.774 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675515 974964610 /nfs/dbraw/zinc/96/46/10/974964610.db2.gz SNSQUWNMEWJISU-HLAWJBBLSA-N 1 3 355.526 2.879 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211684450 975181824 /nfs/dbraw/zinc/18/18/24/975181824.db2.gz YVQJWAILLPNNIC-BDTNDASRSA-N 1 3 367.537 2.857 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211684450 975181828 /nfs/dbraw/zinc/18/18/28/975181828.db2.gz YVQJWAILLPNNIC-BDTNDASRSA-N 1 3 367.537 2.857 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccc(C#N)cc2)CC3)CC[N@@H+]1C ZINC000990758510 976913751 /nfs/dbraw/zinc/91/37/51/976913751.db2.gz AEGWBDYOITYHET-ZEFBCVDJSA-N 1 3 366.509 2.512 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccc(C#N)cc2)CC3)CC[N@H+]1C ZINC000990758510 976913759 /nfs/dbraw/zinc/91/37/59/976913759.db2.gz AEGWBDYOITYHET-ZEFBCVDJSA-N 1 3 366.509 2.512 20 30 FFEDHO CO[C@H]1C[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C12CCC2 ZINC000263152090 980512721 /nfs/dbraw/zinc/51/27/21/980512721.db2.gz POWBFONKGLODSW-OALUTQOASA-N 1 3 356.514 2.513 20 30 FFEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000129653199 981209444 /nfs/dbraw/zinc/20/94/44/981209444.db2.gz BCLIOEUONKLFMF-KOENEWCDSA-N 1 3 361.489 2.967 20 30 FFEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000129653199 981209446 /nfs/dbraw/zinc/20/94/46/981209446.db2.gz BCLIOEUONKLFMF-KOENEWCDSA-N 1 3 361.489 2.967 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001089180882 986511754 /nfs/dbraw/zinc/51/17/54/986511754.db2.gz BETVYDSYRWHGLO-JRGCBEDISA-N 1 3 368.525 2.711 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CN(C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001089180882 986511763 /nfs/dbraw/zinc/51/17/63/986511763.db2.gz BETVYDSYRWHGLO-JRGCBEDISA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC001005414306 989769595 /nfs/dbraw/zinc/76/95/95/989769595.db2.gz DYCMPAQALXDDDH-LEWJYISDSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001005414306 989769598 /nfs/dbraw/zinc/76/95/98/989769598.db2.gz DYCMPAQALXDDDH-LEWJYISDSA-N 1 3 368.525 2.711 20 30 FFEDHO C#CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC(C)(C)C1 ZINC001089499200 990649081 /nfs/dbraw/zinc/64/90/81/990649081.db2.gz BSEFLTPEKQWHAE-HBMCJLEFSA-N 1 3 367.537 2.572 20 30 FFEDHO C#CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC(C)(C)C1 ZINC001089499200 990649083 /nfs/dbraw/zinc/64/90/83/990649083.db2.gz BSEFLTPEKQWHAE-HBMCJLEFSA-N 1 3 367.537 2.572 20 30 FFEDHO C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1c1ccccc1 ZINC001081230110 993768193 /nfs/dbraw/zinc/76/81/93/993768193.db2.gz PGLOGRJTYQRRKA-FCHUYYIVSA-N 1 3 361.489 2.579 20 30 FFEDHO C#Cc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000809633686 994562540 /nfs/dbraw/zinc/56/25/40/994562540.db2.gz RSYAPQDNSDNNQU-UHFFFAOYSA-N 1 3 361.489 2.783 20 30 FFEDHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082511582 994758222 /nfs/dbraw/zinc/75/82/22/994758222.db2.gz DNGVMUCISWKFIC-YLJYHZDGSA-N 1 3 368.525 2.759 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001086882349 1001300149 /nfs/dbraw/zinc/30/01/49/1001300149.db2.gz NGGDFTZUNGCCEK-PZJWPPBQSA-N 1 3 357.542 2.707 20 30 FFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013686 1002287274 /nfs/dbraw/zinc/28/72/74/1002287274.db2.gz WSPGNJZGLGIFQY-JRGCBEDISA-N 1 3 365.537 2.945 20 30 FFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013686 1002287287 /nfs/dbraw/zinc/28/72/87/1002287287.db2.gz WSPGNJZGLGIFQY-JRGCBEDISA-N 1 3 365.537 2.945 20 30 FFEDHO C=CCCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198742340 1004720122 /nfs/dbraw/zinc/72/01/22/1004720122.db2.gz OYIUXJAPLXZTPV-GBESFXJTSA-N 1 3 359.514 2.749 20 30 FFEDHO C=CCCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198742340 1004720128 /nfs/dbraw/zinc/72/01/28/1004720128.db2.gz OYIUXJAPLXZTPV-GBESFXJTSA-N 1 3 359.514 2.749 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000104183246 1009933710 /nfs/dbraw/zinc/93/37/10/1009933710.db2.gz SVTYBNCLHZTRBI-QGZVFWFLSA-N 1 3 371.460 2.902 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)C[C@H]2C)CC1 ZINC001093223618 1010167629 /nfs/dbraw/zinc/16/76/29/1010167629.db2.gz CZTAFHBHYXJSME-DENIHFKCSA-N 1 3 367.537 2.524 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)C[C@H]2C)CC1 ZINC001093223618 1010167634 /nfs/dbraw/zinc/16/76/34/1010167634.db2.gz CZTAFHBHYXJSME-DENIHFKCSA-N 1 3 367.537 2.524 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001182345748 1010519057 /nfs/dbraw/zinc/51/90/57/1010519057.db2.gz OQDYKWKIFYWTFC-RTWAWAEBSA-N 1 3 355.526 2.974 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001182345748 1010519069 /nfs/dbraw/zinc/51/90/69/1010519069.db2.gz OQDYKWKIFYWTFC-RTWAWAEBSA-N 1 3 355.526 2.974 20 30 FFEDHO C=CCCC[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001276338310 1011943699 /nfs/dbraw/zinc/94/36/99/1011943699.db2.gz HZWVTYDKSITABG-IFMALSPDSA-N 1 3 355.526 2.832 20 30 FFEDHO C=CCCC[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001276338310 1011943706 /nfs/dbraw/zinc/94/37/06/1011943706.db2.gz HZWVTYDKSITABG-IFMALSPDSA-N 1 3 355.526 2.832 20 30 FFEDHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccccc1O2 ZINC001120480739 1023336584 /nfs/dbraw/zinc/33/65/84/1023336584.db2.gz BTNMETNSGZVEGS-SJLPKXTDSA-N 1 3 355.482 2.619 20 30 FFEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796692 1023374604 /nfs/dbraw/zinc/37/46/04/1023374604.db2.gz OMQVPKRSZPASGM-VSKRKVRLSA-N 1 3 367.537 2.668 20 30 FFEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796692 1023374615 /nfs/dbraw/zinc/37/46/15/1023374615.db2.gz OMQVPKRSZPASGM-VSKRKVRLSA-N 1 3 367.537 2.668 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001122631535 1023379935 /nfs/dbraw/zinc/37/99/35/1023379935.db2.gz UQAIOFFTZCLNHJ-KURKYZTESA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001122631535 1023379939 /nfs/dbraw/zinc/37/99/39/1023379939.db2.gz UQAIOFFTZCLNHJ-KURKYZTESA-N 1 3 360.550 2.582 20 30 FFEDHO N#Cc1c(NC(=O)[C@H]2CC[C@@H](c3ccccc3)[NH2+]C2)sc2c1CCNC2 ZINC001218553891 1033219759 /nfs/dbraw/zinc/21/97/59/1033219759.db2.gz SWYAITQOPWWBLF-YOEHRIQHSA-N 1 3 366.490 2.945 20 30 FFEDHO C#CCN(C)CCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000838623798 1026443892 /nfs/dbraw/zinc/44/38/92/1026443892.db2.gz OIKAEGRYNPCCRR-IBGZPJMESA-N 1 3 362.562 2.628 20 30 FFEDHO C#CCN(C)CCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000838623798 1026443894 /nfs/dbraw/zinc/44/38/94/1026443894.db2.gz OIKAEGRYNPCCRR-IBGZPJMESA-N 1 3 362.562 2.628 20 30 FFEDHO Cc1ncc(C#N)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460206 1027397541 /nfs/dbraw/zinc/39/75/41/1027397541.db2.gz FLRVQJHBSQIANQ-UHFFFAOYSA-N 1 3 360.465 2.566 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248460955 1027642220 /nfs/dbraw/zinc/64/22/20/1027642220.db2.gz WXMVQDSDOIWTQD-DYESRHJHSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248460955 1027642223 /nfs/dbraw/zinc/64/22/23/1027642223.db2.gz WXMVQDSDOIWTQD-DYESRHJHSA-N 1 3 365.477 2.834 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C(F)(F)F ZINC001112213512 1030256348 /nfs/dbraw/zinc/25/63/48/1030256348.db2.gz MYIQSBRYAUEKFX-BZUAXINKSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1ccccc1F ZINC001205619872 1031877384 /nfs/dbraw/zinc/87/73/84/1031877384.db2.gz KMFRJQYGLIAAOU-YTQUADARSA-N 1 3 365.468 2.576 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004339 1033453009 /nfs/dbraw/zinc/45/30/09/1033453009.db2.gz GVVAPADXEHYNNK-RBUKOAKNSA-N 1 3 353.551 2.600 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219004339 1033453016 /nfs/dbraw/zinc/45/30/16/1033453016.db2.gz GVVAPADXEHYNNK-RBUKOAKNSA-N 1 3 353.551 2.600 20 30 FFEDHO N#Cc1cccc2c(CN3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)c[nH]c21 ZINC001139702395 1035201634 /nfs/dbraw/zinc/20/16/34/1035201634.db2.gz CTVBGKLBKOOUAJ-BGYRXZFFSA-N 1 3 357.461 2.998 20 30 FFEDHO N#Cc1cccc2c(CN3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)c[nH]c21 ZINC001139702395 1035201638 /nfs/dbraw/zinc/20/16/38/1035201638.db2.gz CTVBGKLBKOOUAJ-BGYRXZFFSA-N 1 3 357.461 2.998 20 30 FFEDHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC001228366900 1036071610 /nfs/dbraw/zinc/07/16/10/1036071610.db2.gz WPJQFROMXUJBIZ-RTBURBONSA-N 1 3 361.917 2.660 20 30 FFEDHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001229860347 1036941090 /nfs/dbraw/zinc/94/10/90/1036941090.db2.gz RXOLENBKSWZLBC-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001277611696 1038191095 /nfs/dbraw/zinc/19/10/95/1038191095.db2.gz LMLBTBPOIJDVKR-OAQYLSRUSA-N 1 3 359.489 2.888 20 30 FFEDHO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001277611696 1038191103 /nfs/dbraw/zinc/19/11/03/1038191103.db2.gz LMLBTBPOIJDVKR-OAQYLSRUSA-N 1 3 359.489 2.888 20 30 FFEDHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001216846425 1042142708 /nfs/dbraw/zinc/14/27/08/1042142708.db2.gz DGZAKMZQJJHFPD-FCEUIQTBSA-N 1 3 367.537 2.595 20 30 FFEDHO C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](CNCC#Cc2ccccc2)C1 ZINC001264559823 1042716156 /nfs/dbraw/zinc/71/61/56/1042716156.db2.gz RROPKOVNMNYIGB-KNQAVFIVSA-N 1 3 367.537 2.597 20 30 FFEDHO CN(C)CCC[N@@H+]1CCC[C@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280220858 1044415234 /nfs/dbraw/zinc/41/52/34/1044415234.db2.gz JYSKPIKJSPAHDQ-NRFANRHFSA-N 1 3 357.546 2.526 20 30 FFEDHO CN(C)CCC[N@H+]1CCC[C@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280220858 1044415237 /nfs/dbraw/zinc/41/52/37/1044415237.db2.gz JYSKPIKJSPAHDQ-NRFANRHFSA-N 1 3 357.546 2.526 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001321742379 1045781114 /nfs/dbraw/zinc/78/11/14/1045781114.db2.gz DTMMSUSHJFXKRF-WOJBJXKFSA-N 1 3 371.529 2.504 20 30 FFEDHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)N1CCCC1 ZINC001316656504 1049774196 /nfs/dbraw/zinc/77/41/96/1049774196.db2.gz CPXNLEIZLKELDY-VQTJNVASSA-N 1 3 368.525 2.807 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001357159726 1055798608 /nfs/dbraw/zinc/79/86/08/1055798608.db2.gz LEHHQXCQWXAPFC-SFHVURJKSA-N 1 3 374.577 2.974 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC001353316615 1056291316 /nfs/dbraw/zinc/29/13/16/1056291316.db2.gz PLSAHPFTKHCKIO-KRWDZBQOSA-N 1 3 370.415 2.522 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNCc2ccccc2C#N)CC[N@@H+]1C ZINC001505813290 1059404033 /nfs/dbraw/zinc/40/40/33/1059404033.db2.gz MKWHCHGMJIJHPA-VQTJNVASSA-N 1 3 370.541 2.863 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)CNCc2ccccc2C#N)CC[N@H+]1C ZINC001505813290 1059404045 /nfs/dbraw/zinc/40/40/45/1059404045.db2.gz MKWHCHGMJIJHPA-VQTJNVASSA-N 1 3 370.541 2.863 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001521697071 1061080058 /nfs/dbraw/zinc/08/00/58/1061080058.db2.gz FSPBKLHIFUKUQB-FHWLQOOXSA-N 1 3 353.551 2.809 20 30 FFEDHO C[NH+]1CCC2(CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC001473704609 1065323745 /nfs/dbraw/zinc/32/37/45/1065323745.db2.gz RFKVNPLQYWPQII-HXUWFJFHSA-N 1 3 366.509 2.861 20 30 FFEDHO C#CCN(C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC)C1CCN(C)CC1 ZINC001563640673 1076572525 /nfs/dbraw/zinc/57/25/25/1076572525.db2.gz UMFDWOFNAARSDG-OAQYLSRUSA-N 1 3 370.541 2.809 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000108712852 507913409 /nfs/dbraw/zinc/91/34/09/507913409.db2.gz HWVXPGHQSWZWDV-UHFFFAOYSA-N 1 3 367.537 2.880 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000106275293 508398825 /nfs/dbraw/zinc/39/88/25/508398825.db2.gz VTCCPYMFLJBBQQ-IBGZPJMESA-N 1 3 350.551 2.837 20 30 FFEDHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000156657829 508457738 /nfs/dbraw/zinc/45/77/38/508457738.db2.gz NRDQDYSBWXNFAW-SVMVAKDDSA-N 1 3 371.525 2.803 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182621681 509337753 /nfs/dbraw/zinc/33/77/53/509337753.db2.gz LKFULTKWKQHDOX-ZWKOTPCHSA-N 1 3 362.562 2.979 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182621681 509337758 /nfs/dbraw/zinc/33/77/58/509337758.db2.gz LKFULTKWKQHDOX-ZWKOTPCHSA-N 1 3 362.562 2.979 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000287598972 511053327 /nfs/dbraw/zinc/05/33/27/511053327.db2.gz ZBIDIDBMQYUXOP-UHFFFAOYSA-N 1 3 362.518 2.783 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272288639 511490956 /nfs/dbraw/zinc/49/09/56/511490956.db2.gz FIFHNLOJTMAQGC-UYAOXDASSA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272288639 511490960 /nfs/dbraw/zinc/49/09/60/511490960.db2.gz FIFHNLOJTMAQGC-UYAOXDASSA-N 1 3 370.541 2.847 20 30 FFEDHO CC1CC[NH+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280836858 511622514 /nfs/dbraw/zinc/62/25/14/511622514.db2.gz OUGLRHNTGVQUNR-HXUWFJFHSA-N 1 3 352.482 2.869 20 30 FFEDHO C[NH+](C)CCc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000281379418 511825154 /nfs/dbraw/zinc/82/51/54/511825154.db2.gz ZMRWGGNKCFDRTA-OAQYLSRUSA-N 1 3 360.461 2.661 20 30 FFEDHO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370705503 513061437 /nfs/dbraw/zinc/06/14/37/513061437.db2.gz HEYHHYMFCZZPOK-SIKLNZKXSA-N 1 3 370.541 2.827 20 30 FFEDHO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370705503 513061443 /nfs/dbraw/zinc/06/14/43/513061443.db2.gz HEYHHYMFCZZPOK-SIKLNZKXSA-N 1 3 370.541 2.827 20 30 FFEDHO C[N@H+](CCOc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000442778149 513778343 /nfs/dbraw/zinc/77/83/43/513778343.db2.gz KBODDLZMCYOKGO-HKUYNNGSSA-N 1 3 357.498 2.958 20 30 FFEDHO C[N@@H+](CCOc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000442778149 513778345 /nfs/dbraw/zinc/77/83/45/513778345.db2.gz KBODDLZMCYOKGO-HKUYNNGSSA-N 1 3 357.498 2.958 20 30 FFEDHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452341375 514294135 /nfs/dbraw/zinc/29/41/35/514294135.db2.gz CTUJAXUTFIJKNZ-PMACEKPBSA-N 1 3 352.482 2.867 20 30 FFEDHO C=C(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000547858591 516602386 /nfs/dbraw/zinc/60/23/86/516602386.db2.gz RHMOMKJWHNKSAO-SFHVURJKSA-N 1 3 368.472 2.717 20 30 FFEDHO CN(CCNC(=O)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1)Cc1ccccc1 ZINC000559107740 517085542 /nfs/dbraw/zinc/08/55/42/517085542.db2.gz SPIOJYLDKFJJNL-CTNGQTDRSA-N 1 3 368.525 2.639 20 30 FFEDHO N#Cc1ccc(OC[C@@H](O)CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000517358931 518128203 /nfs/dbraw/zinc/12/82/03/518128203.db2.gz UUXHEUMAKXRDMD-NRFANRHFSA-N 1 3 365.477 2.684 20 30 FFEDHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000564427852 518448340 /nfs/dbraw/zinc/44/83/40/518448340.db2.gz NTEGQTXJQLAQJC-OAQYLSRUSA-N 1 3 362.477 2.627 20 30 FFEDHO C[NH+](C)CCOc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccn1 ZINC000594935658 520220908 /nfs/dbraw/zinc/22/09/08/520220908.db2.gz JMIOWMCOEICRAM-UHFFFAOYSA-N 1 3 350.466 2.867 20 30 FFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600717142 520417757 /nfs/dbraw/zinc/41/77/57/520417757.db2.gz OCHCMFJENJGUBB-NRFANRHFSA-N 1 3 367.493 2.928 20 30 FFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600717142 520417767 /nfs/dbraw/zinc/41/77/67/520417767.db2.gz OCHCMFJENJGUBB-NRFANRHFSA-N 1 3 367.493 2.928 20 30 FFEDHO CN1CCCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000598994491 520965501 /nfs/dbraw/zinc/96/55/01/520965501.db2.gz ORYPOYOZPKDEQI-KRWDZBQOSA-N 1 3 352.486 2.680 20 30 FFEDHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602552744 521408298 /nfs/dbraw/zinc/40/82/98/521408298.db2.gz PRRRWOIENBDJCY-CABCVRRESA-N 1 3 357.285 2.733 20 30 FFEDHO CC[NH+](CC)[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744422657 735354095 /nfs/dbraw/zinc/35/40/95/735354095.db2.gz NHADVBFTUDYBFD-LSDHHAIUSA-N 1 3 356.495 2.889 20 30 FFEDHO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H](N(CC)CC)C1 ZINC000262384133 729665131 /nfs/dbraw/zinc/66/51/31/729665131.db2.gz KZNBLKBFEIJZCZ-XDNAFOTISA-N 1 3 350.551 2.572 20 30 FFEDHO CC[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000304472601 729736629 /nfs/dbraw/zinc/73/66/29/729736629.db2.gz FNMMXXUQEWGPCX-AWEZNQCLSA-N 1 3 358.408 2.864 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCC[N@H+](C)C1 ZINC000741249211 735127740 /nfs/dbraw/zinc/12/77/40/735127740.db2.gz FCZBWGHZKXRDAL-LSDHHAIUSA-N 1 3 356.495 2.746 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000741249211 735127742 /nfs/dbraw/zinc/12/77/42/735127742.db2.gz FCZBWGHZKXRDAL-LSDHHAIUSA-N 1 3 356.495 2.746 20 30 FFEDHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001104937871 971184071 /nfs/dbraw/zinc/18/40/71/971184071.db2.gz KMAZTJJQLILKCB-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001104322462 963287919 /nfs/dbraw/zinc/28/79/19/963287919.db2.gz LLHCBASRXKUZDI-FCEUIQTBSA-N 1 3 369.553 2.699 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104376703 964661999 /nfs/dbraw/zinc/66/19/99/964661999.db2.gz PPLKZBQVMAFYNW-NXHRZFHOSA-N 1 3 355.954 2.934 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104376703 964662006 /nfs/dbraw/zinc/66/20/06/964662006.db2.gz PPLKZBQVMAFYNW-NXHRZFHOSA-N 1 3 355.954 2.934 20 30 FFEDHO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167962649 964960385 /nfs/dbraw/zinc/96/03/85/964960385.db2.gz ZVTVCVFZCPMHGL-UDEWTMQYSA-N 1 3 367.537 2.887 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001023371770 967754245 /nfs/dbraw/zinc/75/42/45/967754245.db2.gz FBKZGCWIKFXJJL-PCCBWWKXSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001023371770 967754250 /nfs/dbraw/zinc/75/42/50/967754250.db2.gz FBKZGCWIKFXJJL-PCCBWWKXSA-N 1 3 368.525 2.617 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211616107 968028961 /nfs/dbraw/zinc/02/89/61/968028961.db2.gz XCWXBPDVACYGOH-HBMCJLEFSA-N 1 3 355.526 2.877 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1c1ccccc1 ZINC001211642398 969698094 /nfs/dbraw/zinc/69/80/94/969698094.db2.gz BESHIXMSCVIQCU-LEWJYISDSA-N 1 3 367.537 2.858 20 30 FFEDHO CN(C)c1ccc(C#N)cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000876774426 1014387860 /nfs/dbraw/zinc/38/78/60/1014387860.db2.gz VPIGUHRCSWNLPM-UHFFFAOYSA-N 1 3 356.514 2.701 20 30 FFEDHO C#CCN1CCC(C(=O)N(C(C)C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000843696360 977456708 /nfs/dbraw/zinc/45/67/08/977456708.db2.gz TYAAAWSXUAYGPI-JOCHJYFZSA-N 1 3 367.537 2.843 20 30 FFEDHO C#CCN1CCC(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000843696360 977456710 /nfs/dbraw/zinc/45/67/10/977456710.db2.gz TYAAAWSXUAYGPI-JOCHJYFZSA-N 1 3 367.537 2.843 20 30 FFEDHO C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CCCC2)C1 ZINC001087459954 977996295 /nfs/dbraw/zinc/99/62/95/977996295.db2.gz HKXBPMCUOBRWSN-WOJBJXKFSA-N 1 3 359.489 2.772 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CCCC2)C1 ZINC001087459954 977996299 /nfs/dbraw/zinc/99/62/99/977996299.db2.gz HKXBPMCUOBRWSN-WOJBJXKFSA-N 1 3 359.489 2.772 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN2CCCC2)C1 ZINC001087459954 977996306 /nfs/dbraw/zinc/99/63/06/977996306.db2.gz HKXBPMCUOBRWSN-WOJBJXKFSA-N 1 3 359.489 2.772 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001087462791 978130532 /nfs/dbraw/zinc/13/05/32/978130532.db2.gz AJIHXWQMACEPHU-VAMGGRTRSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001087462791 978130537 /nfs/dbraw/zinc/13/05/37/978130537.db2.gz AJIHXWQMACEPHU-VAMGGRTRSA-N 1 3 359.489 2.770 20 30 FFEDHO CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116855 1014501039 /nfs/dbraw/zinc/50/10/39/1014501039.db2.gz SXZPBIOTVXNMAX-OAQYLSRUSA-N 1 3 357.498 2.912 20 30 FFEDHO CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116855 1014501047 /nfs/dbraw/zinc/50/10/47/1014501047.db2.gz SXZPBIOTVXNMAX-OAQYLSRUSA-N 1 3 357.498 2.912 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000968867552 1014604985 /nfs/dbraw/zinc/60/49/85/1014604985.db2.gz ZJOOOSMSBJKWJM-JRGCBEDISA-N 1 3 368.525 2.759 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000968867552 1014604995 /nfs/dbraw/zinc/60/49/95/1014604995.db2.gz ZJOOOSMSBJKWJM-JRGCBEDISA-N 1 3 368.525 2.759 20 30 FFEDHO C=CCc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(OC)c1O ZINC000650723021 1014750177 /nfs/dbraw/zinc/75/01/77/1014750177.db2.gz GIJJOYKSOGFGHA-OTWHNJEPSA-N 1 3 360.498 2.990 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(CF)cc3)[C@@H]2C)CC1 ZINC001089059816 986141302 /nfs/dbraw/zinc/14/13/02/986141302.db2.gz CUJIQMFMKVXJDV-UTKZUKDTSA-N 1 3 371.500 2.580 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(CF)cc3)[C@@H]2C)CC1 ZINC001089059816 986141306 /nfs/dbraw/zinc/14/13/06/986141306.db2.gz CUJIQMFMKVXJDV-UTKZUKDTSA-N 1 3 371.500 2.580 20 30 FFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409081 990053864 /nfs/dbraw/zinc/05/38/64/990053864.db2.gz AXYRZHORKDLHRK-NJYVYQBISA-N 1 3 355.526 2.879 20 30 FFEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409081 990053867 /nfs/dbraw/zinc/05/38/67/990053867.db2.gz AXYRZHORKDLHRK-NJYVYQBISA-N 1 3 355.526 2.879 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079153335 991819066 /nfs/dbraw/zinc/81/90/66/991819066.db2.gz APHLEGVKDQNYBY-VQTJNVASSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001082055369 994133525 /nfs/dbraw/zinc/13/35/25/994133525.db2.gz OLLNPKMAJBBEAZ-HSALFYBXSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001082055369 994133529 /nfs/dbraw/zinc/13/35/29/994133529.db2.gz OLLNPKMAJBBEAZ-HSALFYBXSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055369 994133536 /nfs/dbraw/zinc/13/35/36/994133536.db2.gz OLLNPKMAJBBEAZ-HSALFYBXSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055369 994133542 /nfs/dbraw/zinc/13/35/42/994133542.db2.gz OLLNPKMAJBBEAZ-HSALFYBXSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C[NH+]1CCCC1)c1nc(-c2cccc(CN3CCN(C)CC3)c2)no1 ZINC001206094842 1032140992 /nfs/dbraw/zinc/14/09/92/1032140992.db2.gz XNTCYJAZOYQOOC-UHFFFAOYSA-N 1 3 367.497 2.593 20 30 FFEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001049745464 1016238694 /nfs/dbraw/zinc/23/86/94/1016238694.db2.gz FXKIUFUJRXIHAE-ANULTFPQSA-N 1 3 353.510 2.583 20 30 FFEDHO C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001049745464 1016238702 /nfs/dbraw/zinc/23/87/02/1016238702.db2.gz FXKIUFUJRXIHAE-ANULTFPQSA-N 1 3 353.510 2.583 20 30 FFEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112586200 1001538431 /nfs/dbraw/zinc/53/84/31/1001538431.db2.gz MKTLYKYWTXGGCD-LNLFQRSKSA-N 1 3 353.938 2.832 20 30 FFEDHO C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CCN(C)CC1 ZINC000923925408 1017067369 /nfs/dbraw/zinc/06/73/69/1017067369.db2.gz YSNMOXZHJDIYQZ-FQEVSTJZSA-N 1 3 360.546 2.523 20 30 FFEDHO C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)C1CCN(C)CC1 ZINC000923925408 1017067377 /nfs/dbraw/zinc/06/73/77/1017067377.db2.gz YSNMOXZHJDIYQZ-FQEVSTJZSA-N 1 3 360.546 2.523 20 30 FFEDHO COc1cc(N(C(=O)C(C#N)Cc2cccs2)C2CC[NH2+]CC2)ccn1 ZINC001177912855 1008785303 /nfs/dbraw/zinc/78/53/03/1008785303.db2.gz VAIGSLAJLJENOP-CQSZACIVSA-N 1 3 370.478 2.619 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(COCC(F)(F)F)cc1 ZINC000303783828 1012429066 /nfs/dbraw/zinc/42/90/66/1012429066.db2.gz ONGHVVVDAROFBH-INIZCTEOSA-N 1 3 372.435 2.654 20 30 FFEDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173426701 1012578885 /nfs/dbraw/zinc/57/88/85/1012578885.db2.gz DNFFIDSQVLMDKL-PMACEKPBSA-N 1 3 354.498 2.625 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000304760076 1012863166 /nfs/dbraw/zinc/86/31/66/1012863166.db2.gz RWGJQKXWOIRGGI-SJLPKXTDSA-N 1 3 361.534 2.784 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OC)c1OC1CCCC1 ZINC000304756075 1012864285 /nfs/dbraw/zinc/86/42/85/1012864285.db2.gz NJNWDLQWZNLXJF-QGZVFWFLSA-N 1 3 374.529 2.905 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCNC[C@H]3C3CCCC3)CC2)nc1 ZINC000925609103 1017799453 /nfs/dbraw/zinc/79/94/53/1017799453.db2.gz OTLMPGVCBSRZKK-PMACEKPBSA-N 1 3 353.514 2.680 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C(F)(F)F ZINC001099331392 1022308741 /nfs/dbraw/zinc/30/87/41/1022308741.db2.gz GVRZPLOPCDQJSU-OAGGEKHMSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C(F)(F)F ZINC001099331392 1022308753 /nfs/dbraw/zinc/30/87/53/1022308753.db2.gz GVRZPLOPCDQJSU-OAGGEKHMSA-N 1 3 361.452 2.806 20 30 FFEDHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001099453042 1022552846 /nfs/dbraw/zinc/55/28/46/1022552846.db2.gz BGUJHNOPCKTKLA-VWPQPMDRSA-N 1 3 368.525 2.617 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001122513138 1023313154 /nfs/dbraw/zinc/31/31/54/1023313154.db2.gz DHOYJLHVKJGUAN-QGZVFWFLSA-N 1 3 360.550 2.630 20 30 FFEDHO CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796691 1023375277 /nfs/dbraw/zinc/37/52/77/1023375277.db2.gz OMQVPKRSZPASGM-BDTNDASRSA-N 1 3 367.537 2.668 20 30 FFEDHO CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000948796691 1023375283 /nfs/dbraw/zinc/37/52/83/1023375283.db2.gz OMQVPKRSZPASGM-BDTNDASRSA-N 1 3 367.537 2.668 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC/C=C\CCC)C[C@H]2C)CC1 ZINC001102596386 1026390529 /nfs/dbraw/zinc/39/05/29/1026390529.db2.gz CQCHZHXWROQJGB-KFHCLJRTSA-N 1 3 359.558 2.762 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC/C=C\CCC)C[C@H]2C)CC1 ZINC001102596386 1026390537 /nfs/dbraw/zinc/39/05/37/1026390537.db2.gz CQCHZHXWROQJGB-KFHCLJRTSA-N 1 3 359.558 2.762 20 30 FFEDHO C#CCN(C)CCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000838623799 1026444433 /nfs/dbraw/zinc/44/44/33/1026444433.db2.gz OIKAEGRYNPCCRR-LJQANCHMSA-N 1 3 362.562 2.628 20 30 FFEDHO C#CCN(C)CCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000838623799 1026444436 /nfs/dbraw/zinc/44/44/36/1026444436.db2.gz OIKAEGRYNPCCRR-LJQANCHMSA-N 1 3 362.562 2.628 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103433999 1027474376 /nfs/dbraw/zinc/47/43/76/1027474376.db2.gz QOWCCPDVPDFJBD-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001103433999 1027474379 /nfs/dbraw/zinc/47/43/79/1027474379.db2.gz QOWCCPDVPDFJBD-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cccc(F)c1 ZINC001205458812 1031763775 /nfs/dbraw/zinc/76/37/75/1031763775.db2.gz VMGFZHIYGBHFBX-LEWJYISDSA-N 1 3 371.500 2.609 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001205611576 1031871797 /nfs/dbraw/zinc/87/17/97/1031871797.db2.gz LSEHBUGSPIEATK-CEWLAPEOSA-N 1 3 371.500 2.606 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001205611576 1031871811 /nfs/dbraw/zinc/87/18/11/1031871811.db2.gz LSEHBUGSPIEATK-CEWLAPEOSA-N 1 3 371.500 2.606 20 30 FFEDHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226613349 1034755951 /nfs/dbraw/zinc/75/59/51/1034755951.db2.gz GJUNTIPEPKGFCP-VSKRKVRLSA-N 1 3 367.537 2.930 20 30 FFEDHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226613349 1034755959 /nfs/dbraw/zinc/75/59/59/1034755959.db2.gz GJUNTIPEPKGFCP-VSKRKVRLSA-N 1 3 367.537 2.930 20 30 FFEDHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226613349 1034755967 /nfs/dbraw/zinc/75/59/67/1034755967.db2.gz GJUNTIPEPKGFCP-VSKRKVRLSA-N 1 3 367.537 2.930 20 30 FFEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC001229503477 1036709899 /nfs/dbraw/zinc/70/98/99/1036709899.db2.gz JPEWMAMMDWEYRB-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC001229503477 1036709908 /nfs/dbraw/zinc/70/99/08/1036709908.db2.gz JPEWMAMMDWEYRB-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO N#CC1(c2ccccc2)CC(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC001330320008 1049131221 /nfs/dbraw/zinc/13/12/21/1049131221.db2.gz TWZBWYQIEIFZQU-OOMBGRCJSA-N 1 3 361.489 2.967 20 30 FFEDHO N#CC1(c2ccccc2)CC(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC001330320008 1049131224 /nfs/dbraw/zinc/13/12/24/1049131224.db2.gz TWZBWYQIEIFZQU-OOMBGRCJSA-N 1 3 361.489 2.967 20 30 FFEDHO Cc1cc(C(C#N)C(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)nc(C)n1 ZINC001341932592 1050530418 /nfs/dbraw/zinc/53/04/18/1050530418.db2.gz ZALVKBXXSRHZHM-JNLAIUADSA-N 1 3 364.449 2.924 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001342247673 1050838860 /nfs/dbraw/zinc/83/88/60/1050838860.db2.gz NKPFLBPGLFXREZ-ROUUACIJSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001342247673 1050838878 /nfs/dbraw/zinc/83/88/78/1050838878.db2.gz NKPFLBPGLFXREZ-ROUUACIJSA-N 1 3 360.550 2.584 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(OCC#N)c3)CC2)CC1 ZINC000847350891 1055571451 /nfs/dbraw/zinc/57/14/51/1055571451.db2.gz HCJLTKOCAGJDGK-UHFFFAOYSA-N 1 3 370.497 2.724 20 30 FFEDHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C[N@@H+]2C1 ZINC001583966814 1079290001 /nfs/dbraw/zinc/29/00/01/1079290001.db2.gz UOBYQOHLQBQDJB-UIFIKXQLSA-N 1 3 368.525 2.569 20 30 FFEDHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C[N@H+]2C1 ZINC001583966814 1079290008 /nfs/dbraw/zinc/29/00/08/1079290008.db2.gz UOBYQOHLQBQDJB-UIFIKXQLSA-N 1 3 368.525 2.569 20 30 FFEDHO C#CC[C@@]1(C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)CCC[NH2+]1 ZINC001574505628 1078003996 /nfs/dbraw/zinc/00/39/96/1078003996.db2.gz XRGXSAUCXBKUHR-IRLDBZIGSA-N 1 3 353.510 2.645 20 30 FFEDHO CC[NH+](CC)CCOC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072694598 507844039 /nfs/dbraw/zinc/84/40/39/507844039.db2.gz BCLCCUSRPQONMG-UHFFFAOYSA-N 1 3 372.513 2.710 20 30 FFEDHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000073705476 507947293 /nfs/dbraw/zinc/94/72/93/507947293.db2.gz MMSLBWMKAQEWNH-UHFFFAOYSA-N 1 3 364.493 2.824 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000074917921 508070245 /nfs/dbraw/zinc/07/02/45/508070245.db2.gz ZLVMHFJXVWBXHR-PXNSSMCTSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000074917921 508070246 /nfs/dbraw/zinc/07/02/46/508070246.db2.gz ZLVMHFJXVWBXHR-PXNSSMCTSA-N 1 3 371.529 2.677 20 30 FFEDHO C[C@@H](C(=O)N(C)CCC#N)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143091 508299248 /nfs/dbraw/zinc/29/92/48/508299248.db2.gz MTORLAFMVPWYDR-SFHVURJKSA-N 1 3 356.514 2.591 20 30 FFEDHO C[C@@H](C(=O)N(C)CCC#N)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143091 508299252 /nfs/dbraw/zinc/29/92/52/508299252.db2.gz MTORLAFMVPWYDR-SFHVURJKSA-N 1 3 356.514 2.591 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248597729 509383823 /nfs/dbraw/zinc/38/38/23/509383823.db2.gz UDEXHAXPNFJTRQ-XKGZKEIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248597729 509383831 /nfs/dbraw/zinc/38/38/31/509383831.db2.gz UDEXHAXPNFJTRQ-XKGZKEIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248597729 509383840 /nfs/dbraw/zinc/38/38/40/509383840.db2.gz UDEXHAXPNFJTRQ-XKGZKEIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000180197557 509807671 /nfs/dbraw/zinc/80/76/71/509807671.db2.gz NWPUSMXKHMORHU-UHFFFAOYSA-N 1 3 366.509 2.530 20 30 FFEDHO COc1ccc(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cc1C#N ZINC000174581570 510190492 /nfs/dbraw/zinc/19/04/92/510190492.db2.gz VTLNZQJYHHJHNQ-UHFFFAOYSA-N 1 3 356.514 2.607 20 30 FFEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000171704706 510319376 /nfs/dbraw/zinc/31/93/76/510319376.db2.gz LUIRKYSFZAYPDM-UHFFFAOYSA-N 1 3 356.514 2.732 20 30 FFEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000171709376 510323267 /nfs/dbraw/zinc/32/32/67/510323267.db2.gz BAHPBEHSNMTFOE-UHFFFAOYSA-N 1 3 370.541 2.643 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000171711204 510324947 /nfs/dbraw/zinc/32/49/47/510324947.db2.gz FBXJWCJTYXBOFW-IBGZPJMESA-N 1 3 350.551 2.693 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(C)C ZINC000246877417 510722532 /nfs/dbraw/zinc/72/25/32/510722532.db2.gz LQVNYKREKNNFFW-SLFFLAALSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(C)C ZINC000246877417 510722534 /nfs/dbraw/zinc/72/25/34/510722534.db2.gz LQVNYKREKNNFFW-SLFFLAALSA-N 1 3 362.562 2.811 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1C ZINC000175749934 510768682 /nfs/dbraw/zinc/76/86/82/510768682.db2.gz QLPAKVRBIMPHCS-GOSISDBHSA-N 1 3 357.502 2.747 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C#N)ccc1C ZINC000175749934 510768689 /nfs/dbraw/zinc/76/86/89/510768689.db2.gz QLPAKVRBIMPHCS-GOSISDBHSA-N 1 3 357.502 2.747 20 30 FFEDHO CN(CCC#N)c1ccc(CNCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000270734384 510966492 /nfs/dbraw/zinc/96/64/92/510966492.db2.gz SDCWXVHXFYRKMA-UHFFFAOYSA-N 1 3 367.497 2.662 20 30 FFEDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cc(C#N)n(C)c1 ZINC000365242725 511338575 /nfs/dbraw/zinc/33/85/75/511338575.db2.gz PBXOZFGRBOPXRG-UHFFFAOYSA-N 1 3 357.546 2.525 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272288630 511490872 /nfs/dbraw/zinc/49/08/72/511490872.db2.gz FIFHNLOJTMAQGC-ICSRJNTNSA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272288630 511490874 /nfs/dbraw/zinc/49/08/74/511490874.db2.gz FIFHNLOJTMAQGC-ICSRJNTNSA-N 1 3 370.541 2.847 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000299200164 511549926 /nfs/dbraw/zinc/54/99/26/511549926.db2.gz FPMDGRXCAWQGGZ-IEBWSBKVSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000299200164 511549927 /nfs/dbraw/zinc/54/99/27/511549927.db2.gz FPMDGRXCAWQGGZ-IEBWSBKVSA-N 1 3 372.513 2.613 20 30 FFEDHO C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413264465 513557347 /nfs/dbraw/zinc/55/73/47/513557347.db2.gz MIBCZOMYMYIAMN-KZNAEPCWSA-N 1 3 356.514 2.710 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)C(C)C ZINC000507961110 514625177 /nfs/dbraw/zinc/62/51/77/514625177.db2.gz IJUMKEWJDSHORQ-GOSISDBHSA-N 1 3 350.551 2.716 20 30 FFEDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472399978 515257888 /nfs/dbraw/zinc/25/78/88/515257888.db2.gz BAXZAEBHZNSRGT-VQTJNVASSA-N 1 3 352.482 2.867 20 30 FFEDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472399978 515257896 /nfs/dbraw/zinc/25/78/96/515257896.db2.gz BAXZAEBHZNSRGT-VQTJNVASSA-N 1 3 352.482 2.867 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C#N)C3CCCCC3)CC2)CC1 ZINC000518997465 516849531 /nfs/dbraw/zinc/84/95/31/516849531.db2.gz XSJGNASHMCVRMD-HXUWFJFHSA-N 1 3 360.546 2.771 20 30 FFEDHO N#Cc1ccc(OC[C@@H](O)CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000551961285 516990838 /nfs/dbraw/zinc/99/08/38/516990838.db2.gz VVEYSEUCTZIAJM-NRFANRHFSA-N 1 3 365.477 2.684 20 30 FFEDHO CN1CCN(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1(C)C ZINC000575190729 519547544 /nfs/dbraw/zinc/54/75/44/519547544.db2.gz GTJLRFONVIBYBG-UHFFFAOYSA-N 1 3 354.420 2.693 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000594437657 519963580 /nfs/dbraw/zinc/96/35/80/519963580.db2.gz KIIOLCKLCQCJLB-UNMCSNQZSA-N 1 3 368.525 2.912 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000594437657 519963586 /nfs/dbraw/zinc/96/35/86/519963586.db2.gz KIIOLCKLCQCJLB-UNMCSNQZSA-N 1 3 368.525 2.912 20 30 FFEDHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](N)CCCCC#N)cc2)CC1 ZINC000594440244 519965619 /nfs/dbraw/zinc/96/56/19/519965619.db2.gz AUVUFJYFYCRJFG-HXUWFJFHSA-N 1 3 356.514 2.946 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000594446289 519970764 /nfs/dbraw/zinc/97/07/64/519970764.db2.gz PBISJAZVAWCAEL-HXUWFJFHSA-N 1 3 368.525 2.912 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000594446289 519970766 /nfs/dbraw/zinc/97/07/66/519970766.db2.gz PBISJAZVAWCAEL-HXUWFJFHSA-N 1 3 368.525 2.912 20 30 FFEDHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602580417 521421821 /nfs/dbraw/zinc/42/18/21/521421821.db2.gz DQAOBDONVPLPBE-HZPDHXFCSA-N 1 3 370.419 2.836 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000602594550 521429251 /nfs/dbraw/zinc/42/92/51/521429251.db2.gz YTPBLKAQZPZVPD-WOJBJXKFSA-N 1 3 356.514 2.959 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000602594550 521429257 /nfs/dbraw/zinc/42/92/57/521429257.db2.gz YTPBLKAQZPZVPD-WOJBJXKFSA-N 1 3 356.514 2.959 20 30 FFEDHO CC[N@H+](C)C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744423257 735354003 /nfs/dbraw/zinc/35/40/03/735354003.db2.gz AUWLHMQVGTVUCQ-GJZGRUSLSA-N 1 3 356.495 2.746 20 30 FFEDHO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744423257 735354006 /nfs/dbraw/zinc/35/40/06/735354006.db2.gz AUWLHMQVGTVUCQ-GJZGRUSLSA-N 1 3 356.495 2.746 20 30 FFEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1C[C@H](C)C[C@@H](C)C1 ZINC000086231565 728432088 /nfs/dbraw/zinc/43/20/88/728432088.db2.gz PVGHJAHRHFPXIB-QZTJIDSGSA-N 1 3 350.551 2.575 20 30 FFEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CC[C@](C)(CC)C1 ZINC000261839910 729654239 /nfs/dbraw/zinc/65/42/39/729654239.db2.gz WMCXCXHOCNAYSB-IBGZPJMESA-N 1 3 350.551 2.719 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)CC1 ZINC000875248801 732137951 /nfs/dbraw/zinc/13/79/51/732137951.db2.gz SPAIYOLEISNBPO-UHFFFAOYSA-N 1 3 350.551 2.646 20 30 FFEDHO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597819 740293990 /nfs/dbraw/zinc/29/39/90/740293990.db2.gz LRHSXVLWXDQTDT-XWTMOSNGSA-N 1 3 353.938 2.640 20 30 FFEDHO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946597819 740293994 /nfs/dbraw/zinc/29/39/94/740293994.db2.gz LRHSXVLWXDQTDT-XWTMOSNGSA-N 1 3 353.938 2.640 20 30 FFEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242629 1013442681 /nfs/dbraw/zinc/44/26/81/1013442681.db2.gz CJAPHUZTVIYUQQ-OAQYLSRUSA-N 1 3 358.449 2.765 20 30 FFEDHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001087215004 966634453 /nfs/dbraw/zinc/63/44/53/966634453.db2.gz ZYPVWQSDELOBMX-VKJFTORMSA-N 1 3 362.543 2.677 20 30 FFEDHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1)[NH+](C)C ZINC001104641404 970010739 /nfs/dbraw/zinc/01/07/39/970010739.db2.gz QFBFMDOQUJCPGL-DUXKGJEZSA-N 1 3 370.541 2.719 20 30 FFEDHO C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262478018 973472528 /nfs/dbraw/zinc/47/25/28/973472528.db2.gz QQBKDJJYNYSPMM-RTBURBONSA-N 1 3 373.545 2.552 20 30 FFEDHO C=CC[C@@]1(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CCC[NH2+]1 ZINC000662669622 975810335 /nfs/dbraw/zinc/81/03/35/975810335.db2.gz GRWGFTZKPLPDAF-FPOVZHCZSA-N 1 3 359.514 2.893 20 30 FFEDHO [NH2+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000261613242 977363478 /nfs/dbraw/zinc/36/34/78/977363478.db2.gz GFWWCYPQLMOVAS-XUVXKRRUSA-N 1 3 368.525 2.513 20 30 FFEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)=[NH+]CC)CC1 ZINC000261620353 977370608 /nfs/dbraw/zinc/37/06/08/977370608.db2.gz HQFBBFIDYJSSCT-IPMKNSEASA-N 1 3 360.546 2.540 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201095 1014507916 /nfs/dbraw/zinc/50/79/16/1014507916.db2.gz CVEBVGFWEHRUCU-FQEVSTJZSA-N 1 3 356.514 2.816 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCCC)CC3)CC1 ZINC001107643902 984926493 /nfs/dbraw/zinc/92/64/93/984926493.db2.gz XTWMQKVKVNTVRL-IFMALSPDSA-N 1 3 359.558 2.883 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCCC)CC3)CC1 ZINC001107643902 984926500 /nfs/dbraw/zinc/92/65/00/984926500.db2.gz XTWMQKVKVNTVRL-IFMALSPDSA-N 1 3 359.558 2.883 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430823 986776764 /nfs/dbraw/zinc/77/67/64/986776764.db2.gz YCCKYMGZVJHEKD-GUDVDZBRSA-N 1 3 353.551 2.647 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430823 986776777 /nfs/dbraw/zinc/77/67/77/986776777.db2.gz YCCKYMGZVJHEKD-GUDVDZBRSA-N 1 3 353.551 2.647 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085196606 988782145 /nfs/dbraw/zinc/78/21/45/988782145.db2.gz GZZXJCDBHYBZRA-NJYVYQBISA-N 1 3 368.525 2.948 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)CC[C@H]1c1ccc(F)cc1 ZINC001079152627 991817756 /nfs/dbraw/zinc/81/77/56/991817756.db2.gz WELZIJIEEXTDCQ-PWRODBHTSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC[C@H]1c1ccc(F)cc1 ZINC001079152627 991817766 /nfs/dbraw/zinc/81/77/66/991817766.db2.gz WELZIJIEEXTDCQ-PWRODBHTSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(CC)c3)C[C@H]2C)CC1 ZINC001080997378 993547419 /nfs/dbraw/zinc/54/74/19/993547419.db2.gz AVTNCPZRPICDMX-XMSQKQJNSA-N 1 3 367.537 2.531 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@H]2C)CC1 ZINC001080997378 993547424 /nfs/dbraw/zinc/54/74/24/993547424.db2.gz AVTNCPZRPICDMX-XMSQKQJNSA-N 1 3 367.537 2.531 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001086882319 1001299669 /nfs/dbraw/zinc/29/96/69/1001299669.db2.gz LRTQGRMCQYSUSH-FXAWDEMLSA-N 1 3 359.558 2.642 20 30 FFEDHO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001186196732 1003217409 /nfs/dbraw/zinc/21/74/09/1003217409.db2.gz QOVOFXXLAPZMEZ-RLLQIKCJSA-N 1 3 361.505 2.874 20 30 FFEDHO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001186196732 1003217413 /nfs/dbraw/zinc/21/74/13/1003217413.db2.gz QOVOFXXLAPZMEZ-RLLQIKCJSA-N 1 3 361.505 2.874 20 30 FFEDHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)C1CCC1 ZINC001488916552 1005376977 /nfs/dbraw/zinc/37/69/77/1005376977.db2.gz XIUXFAPNKGWZFO-AZUAARDMSA-N 1 3 371.500 2.536 20 30 FFEDHO C#CCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)C1CCN(C)CC1 ZINC000923925409 1017068008 /nfs/dbraw/zinc/06/80/08/1017068008.db2.gz YSNMOXZHJDIYQZ-HXUWFJFHSA-N 1 3 360.546 2.523 20 30 FFEDHO C#CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)C1CCN(C)CC1 ZINC000923925409 1017068019 /nfs/dbraw/zinc/06/80/19/1017068019.db2.gz YSNMOXZHJDIYQZ-HXUWFJFHSA-N 1 3 360.546 2.523 20 30 FFEDHO Cc1ccc(NC(=[NH2+])NCc2ccc(CN3CCN(C)CC3)cc2)cc1C ZINC000303787046 1012427757 /nfs/dbraw/zinc/42/77/57/1012427757.db2.gz SALVFVZNNRNMDK-UHFFFAOYSA-N 1 3 365.525 2.978 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1cn(-c2ccccc2)nc1C ZINC000303906003 1012513965 /nfs/dbraw/zinc/51/39/65/1012513965.db2.gz ZSIZTJLDUDZFRJ-HXUWFJFHSA-N 1 3 368.529 2.502 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000304763702 1012872274 /nfs/dbraw/zinc/87/22/74/1012872274.db2.gz XDLDGDNWXVIZMP-XUVXKRRUSA-N 1 3 358.530 2.851 20 30 FFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853117 1018028165 /nfs/dbraw/zinc/02/81/65/1018028165.db2.gz JFGFPFKNEURGPA-PDOICOKGSA-N 1 3 351.510 2.887 20 30 FFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853117 1018028179 /nfs/dbraw/zinc/02/81/79/1018028179.db2.gz JFGFPFKNEURGPA-PDOICOKGSA-N 1 3 351.510 2.887 20 30 FFEDHO CO[C@@H]1CC[C@H]1N(C)Cc1cc(C#N)cc(C[N@H+](C)[C@H]2CC[C@H]2OC)c1 ZINC000934103680 1021142354 /nfs/dbraw/zinc/14/23/54/1021142354.db2.gz DICHXDSMQXHNCP-PLACYPQZSA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@H]1N(C)Cc1cc(C#N)cc(C[N@@H+](C)[C@H]2CC[C@H]2OC)c1 ZINC000934103680 1021142358 /nfs/dbraw/zinc/14/23/58/1021142358.db2.gz DICHXDSMQXHNCP-PLACYPQZSA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(C#N)cc(CN(C)[C@H]2CC[C@H]2OC)c1 ZINC000934103680 1021142362 /nfs/dbraw/zinc/14/23/62/1021142362.db2.gz DICHXDSMQXHNCP-PLACYPQZSA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(C#N)cc(CN(C)[C@H]2CC[C@H]2OC)c1 ZINC000934103680 1021142365 /nfs/dbraw/zinc/14/23/65/1021142365.db2.gz DICHXDSMQXHNCP-PLACYPQZSA-N 1 3 357.498 2.777 20 30 FFEDHO C[NH+]1CCC2(CCCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000799178313 1031681607 /nfs/dbraw/zinc/68/16/07/1031681607.db2.gz LQWSSCBNQJQVMO-HXUWFJFHSA-N 1 3 366.509 2.861 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001205611577 1031871955 /nfs/dbraw/zinc/87/19/55/1031871955.db2.gz LSEHBUGSPIEATK-TYPHKJRUSA-N 1 3 371.500 2.606 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001205611577 1031871967 /nfs/dbraw/zinc/87/19/67/1031871967.db2.gz LSEHBUGSPIEATK-TYPHKJRUSA-N 1 3 371.500 2.606 20 30 FFEDHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1)C1CCC1 ZINC001226824079 1034853123 /nfs/dbraw/zinc/85/31/23/1034853123.db2.gz JYBZOGZKMGOJIT-NHCUHLMSSA-N 1 3 371.500 2.679 20 30 FFEDHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001228444557 1036116592 /nfs/dbraw/zinc/11/65/92/1036116592.db2.gz CYOKFHOYRAUFNS-VAMGGRTRSA-N 1 3 356.514 2.661 20 30 FFEDHO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001277734327 1036154484 /nfs/dbraw/zinc/15/44/84/1036154484.db2.gz JBYWCBYMUADWLT-XUVXKRRUSA-N 1 3 367.578 2.725 20 30 FFEDHO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001277734327 1036154491 /nfs/dbraw/zinc/15/44/91/1036154491.db2.gz JBYWCBYMUADWLT-XUVXKRRUSA-N 1 3 367.578 2.725 20 30 FFEDHO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277734547 1036154735 /nfs/dbraw/zinc/15/47/35/1036154735.db2.gz JSAWJPXFIMGLEH-TZIWHRDSSA-N 1 3 367.578 2.584 20 30 FFEDHO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277734547 1036154737 /nfs/dbraw/zinc/15/47/37/1036154737.db2.gz JSAWJPXFIMGLEH-TZIWHRDSSA-N 1 3 367.578 2.584 20 30 FFEDHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001229859946 1036942501 /nfs/dbraw/zinc/94/25/01/1036942501.db2.gz IUDPXABHOPODIN-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001230242701 1037173130 /nfs/dbraw/zinc/17/31/30/1037173130.db2.gz FZPRMYNBWYIJHI-WOJBJXKFSA-N 1 3 359.514 2.581 20 30 FFEDHO CN(C)CCN1CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCC1=O ZINC001257019499 1038680349 /nfs/dbraw/zinc/68/03/49/1038680349.db2.gz PKGZYZPBHGAPPS-UHFFFAOYSA-N 1 3 368.525 2.680 20 30 FFEDHO CN(C)CCN1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCC1=O ZINC001257019499 1038680351 /nfs/dbraw/zinc/68/03/51/1038680351.db2.gz PKGZYZPBHGAPPS-UHFFFAOYSA-N 1 3 368.525 2.680 20 30 FFEDHO CCCCCCCC[C@@H](O)CN1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246029742 1039204185 /nfs/dbraw/zinc/20/41/85/1039204185.db2.gz MFEXMTJTAZZGNU-ZVDOUQERSA-N 1 3 368.562 2.963 20 30 FFEDHO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2CNCCC[C@]2(C(=O)OCC)C1 ZINC001246029742 1039204200 /nfs/dbraw/zinc/20/42/00/1039204200.db2.gz MFEXMTJTAZZGNU-ZVDOUQERSA-N 1 3 368.562 2.963 20 30 FFEDHO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2CNCCC[C@]2(C(=O)OCC)C1 ZINC001246029742 1039204216 /nfs/dbraw/zinc/20/42/16/1039204216.db2.gz MFEXMTJTAZZGNU-ZVDOUQERSA-N 1 3 368.562 2.963 20 30 FFEDHO C=CCCCCN1CCC([NH+]2CCC(C(=O)Nc3nnco3)CC2)CC1 ZINC001280129183 1044265409 /nfs/dbraw/zinc/26/54/09/1044265409.db2.gz STTQJXBAEUQPRU-UHFFFAOYSA-N 1 3 361.490 2.541 20 30 FFEDHO C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001324397550 1046004361 /nfs/dbraw/zinc/00/43/61/1046004361.db2.gz PZEIVJGSTJXTDF-DENIHFKCSA-N 1 3 367.537 2.761 20 30 FFEDHO C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccc(C)cc2)CC1 ZINC001324397550 1046004367 /nfs/dbraw/zinc/00/43/67/1046004367.db2.gz PZEIVJGSTJXTDF-DENIHFKCSA-N 1 3 367.537 2.761 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC001335440984 1053365009 /nfs/dbraw/zinc/36/50/09/1053365009.db2.gz OANSNFCHXAMSGR-BPJPHKDRSA-N 1 3 372.509 2.545 20 30 FFEDHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528813 1058519917 /nfs/dbraw/zinc/51/99/17/1058519917.db2.gz BUBISWYUXVZLOG-FUPPJEDESA-N 1 3 367.537 2.573 20 30 FFEDHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528813 1058519932 /nfs/dbraw/zinc/51/99/32/1058519932.db2.gz BUBISWYUXVZLOG-FUPPJEDESA-N 1 3 367.537 2.573 20 30 FFEDHO C#C[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1 ZINC000848107911 1058994385 /nfs/dbraw/zinc/99/43/85/1058994385.db2.gz URHPJVZFKIWVCY-NRFANRHFSA-N 1 3 371.500 2.813 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001520459349 1059701066 /nfs/dbraw/zinc/70/10/66/1059701066.db2.gz HXOSKRUZHSIARO-QGZVFWFLSA-N 1 3 360.550 2.584 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001520459349 1059701082 /nfs/dbraw/zinc/70/10/82/1059701082.db2.gz HXOSKRUZHSIARO-QGZVFWFLSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001571311942 1077246075 /nfs/dbraw/zinc/24/60/75/1077246075.db2.gz QZQHZCTUAVKRTL-QRQLOZEOSA-N 1 3 363.933 2.959 20 30 FFEDHO C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001571311942 1077246080 /nfs/dbraw/zinc/24/60/80/1077246080.db2.gz QZQHZCTUAVKRTL-QRQLOZEOSA-N 1 3 363.933 2.959 20 30 FFEDHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000271910642 511367614 /nfs/dbraw/zinc/36/76/14/511367614.db2.gz AMRHLMMDULRUGF-HNNXBMFYSA-N 1 3 368.456 2.840 20 30 FFEDHO CC1CCN(C(=[NH2+])NCCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000303262417 511731328 /nfs/dbraw/zinc/73/13/28/511731328.db2.gz PRLLNOQFFAQQTJ-UHFFFAOYSA-N 1 3 371.573 2.631 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000375670797 512447031 /nfs/dbraw/zinc/44/70/31/512447031.db2.gz DFBGREUCMIJACQ-VXKWHMMOSA-N 1 3 372.472 2.879 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000375670797 512447035 /nfs/dbraw/zinc/44/70/35/512447035.db2.gz DFBGREUCMIJACQ-VXKWHMMOSA-N 1 3 372.472 2.879 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000375670796 512447090 /nfs/dbraw/zinc/44/70/90/512447090.db2.gz DFBGREUCMIJACQ-FGZHOGPDSA-N 1 3 372.472 2.879 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000375670796 512447092 /nfs/dbraw/zinc/44/70/92/512447092.db2.gz DFBGREUCMIJACQ-FGZHOGPDSA-N 1 3 372.472 2.879 20 30 FFEDHO C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413175836 513501226 /nfs/dbraw/zinc/50/12/26/513501226.db2.gz KDOWFBQXLCTLBB-FGTMMUONSA-N 1 3 356.514 2.710 20 30 FFEDHO C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413175836 513501229 /nfs/dbraw/zinc/50/12/29/513501229.db2.gz KDOWFBQXLCTLBB-FGTMMUONSA-N 1 3 356.514 2.710 20 30 FFEDHO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414347421 514059062 /nfs/dbraw/zinc/05/90/62/514059062.db2.gz WHCQUYNANCGVKE-AZUAARDMSA-N 1 3 354.498 2.556 20 30 FFEDHO C[NH+](C)CCCOC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433360766 514470898 /nfs/dbraw/zinc/47/08/98/514470898.db2.gz BDNFMBPJPVGNME-LJQANCHMSA-N 1 3 357.498 2.718 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462036910 514843295 /nfs/dbraw/zinc/84/32/95/514843295.db2.gz HUVUYDHMNZZKFY-YLJYHZDGSA-N 1 3 356.514 2.536 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462036910 514843308 /nfs/dbraw/zinc/84/33/08/514843308.db2.gz HUVUYDHMNZZKFY-YLJYHZDGSA-N 1 3 356.514 2.536 20 30 FFEDHO C=C(C)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000547858590 516602186 /nfs/dbraw/zinc/60/21/86/516602186.db2.gz RHMOMKJWHNKSAO-GOSISDBHSA-N 1 3 368.472 2.717 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000521588663 517788083 /nfs/dbraw/zinc/78/80/83/517788083.db2.gz GKAXNEWPBQJIOK-UHFFFAOYSA-N 1 3 360.502 2.789 20 30 FFEDHO Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)ccc1C#N ZINC000570605340 518688751 /nfs/dbraw/zinc/68/87/51/518688751.db2.gz XHOFKPQJYFAMFY-UHFFFAOYSA-N 1 3 368.525 2.681 20 30 FFEDHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)C1 ZINC000594439738 519965732 /nfs/dbraw/zinc/96/57/32/519965732.db2.gz UYOJOPFPLFKDMJ-QFBILLFUSA-N 1 3 358.486 2.757 20 30 FFEDHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)C1 ZINC000594439738 519965739 /nfs/dbraw/zinc/96/57/39/519965739.db2.gz UYOJOPFPLFKDMJ-QFBILLFUSA-N 1 3 358.486 2.757 20 30 FFEDHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)CC1 ZINC000594440243 519966917 /nfs/dbraw/zinc/96/69/17/519966917.db2.gz AUVUFJYFYCRJFG-FQEVSTJZSA-N 1 3 356.514 2.946 20 30 FFEDHO CC(C)N1CCN(CCC[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000602908945 519967272 /nfs/dbraw/zinc/96/72/72/519967272.db2.gz XSIIKWGXJZDXJH-UHFFFAOYSA-N 1 3 355.530 2.549 20 30 FFEDHO CC[NH+](CC)Cc1cccc(CNC[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000600716867 520419124 /nfs/dbraw/zinc/41/91/24/520419124.db2.gz MWAXTVONPXRWCV-FQEVSTJZSA-N 1 3 359.514 2.689 20 30 FFEDHO CN(C)CCC[N@H+](C)CCNc1cc(Br)c(C#N)cc1F ZINC000596424252 521064737 /nfs/dbraw/zinc/06/47/37/521064737.db2.gz DYIKZAKIKCLVPT-UHFFFAOYSA-N 1 3 357.271 2.755 20 30 FFEDHO CN(C)CCC[N@@H+](C)CCNc1cc(Br)c(C#N)cc1F ZINC000596424252 521064739 /nfs/dbraw/zinc/06/47/39/521064739.db2.gz DYIKZAKIKCLVPT-UHFFFAOYSA-N 1 3 357.271 2.755 20 30 FFEDHO N#CC1(C[C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)CCOCC1 ZINC000599264416 521116758 /nfs/dbraw/zinc/11/67/58/521116758.db2.gz CERYBKXEISNCCN-FQEVSTJZSA-N 1 3 363.546 2.646 20 30 FFEDHO CC[NH+](CC)C1CCN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1 ZINC001165054570 722006874 /nfs/dbraw/zinc/00/68/74/722006874.db2.gz RPBZYIRFRMNKTD-INIZCTEOSA-N 1 3 373.501 2.736 20 30 FFEDHO Cc1nc(C)c(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)s1 ZINC000262451248 729666380 /nfs/dbraw/zinc/66/63/80/729666380.db2.gz WAIXGTNHWWBJJK-UHFFFAOYSA-N 1 3 357.527 2.829 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087212773 966579917 /nfs/dbraw/zinc/57/99/17/966579917.db2.gz PLAWCQRCOANMBD-OPYAIIAOSA-N 1 3 368.525 2.759 20 30 FFEDHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1cccc(C#N)c1 ZINC001267314211 967821284 /nfs/dbraw/zinc/82/12/84/967821284.db2.gz KMMVVQNGRIGLMN-VQTJNVASSA-N 1 3 356.514 2.617 20 30 FFEDHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1cccc(C#N)c1 ZINC001267314211 967821307 /nfs/dbraw/zinc/82/13/07/967821307.db2.gz KMMVVQNGRIGLMN-VQTJNVASSA-N 1 3 356.514 2.617 20 30 FFEDHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1CCNCc1ccccc1C#N ZINC001104676732 970086603 /nfs/dbraw/zinc/08/66/03/970086603.db2.gz VYAVWTYXIOPOBS-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1CCNCc1ccccc1C#N ZINC001104676732 970086614 /nfs/dbraw/zinc/08/66/14/970086614.db2.gz VYAVWTYXIOPOBS-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cnc2c(c1)CNCC2)C(C)C ZINC000667790847 977033522 /nfs/dbraw/zinc/03/35/22/977033522.db2.gz FCCXZZGTNIMIIO-LJQANCHMSA-N 1 3 357.502 2.547 20 30 FFEDHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116359 1014494450 /nfs/dbraw/zinc/49/44/50/1014494450.db2.gz AUBAZYWYPPTUEH-IFMALSPDSA-N 1 3 369.509 2.769 20 30 FFEDHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116359 1014494458 /nfs/dbraw/zinc/49/44/58/1014494458.db2.gz AUBAZYWYPPTUEH-IFMALSPDSA-N 1 3 369.509 2.769 20 30 FFEDHO C[C@@H]1CCOCCN1Cc1cc(C#N)cc(CN2CCOCC[C@H]2C)c1 ZINC000878374267 1015014309 /nfs/dbraw/zinc/01/43/09/1015014309.db2.gz QSLPAZUADILKGW-QZTJIDSGSA-N 1 3 357.498 2.780 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000057155313 984482647 /nfs/dbraw/zinc/48/26/47/984482647.db2.gz WIVBWDJSNIFYQR-UHFFFAOYSA-N 1 3 357.498 2.691 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085196605 988781853 /nfs/dbraw/zinc/78/18/53/988781853.db2.gz GZZXJCDBHYBZRA-NJDAHSKKSA-N 1 3 368.525 2.948 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198773 991873228 /nfs/dbraw/zinc/87/32/28/991873228.db2.gz QZZMYLGZIGULGK-LSTHTHJFSA-N 1 3 359.489 2.628 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001086695092 995153013 /nfs/dbraw/zinc/15/30/13/995153013.db2.gz AZJMRCDLCKGSGP-HBMCJLEFSA-N 1 3 368.525 2.806 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3cccc(F)c3)C2)CC1 ZINC001082941199 995867134 /nfs/dbraw/zinc/86/71/34/995867134.db2.gz WXTZISJRCPWIOC-LLGFUMIMSA-N 1 3 371.500 2.668 20 30 FFEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1CN(C)C)C2 ZINC001112585433 1001543914 /nfs/dbraw/zinc/54/39/14/1001543914.db2.gz XWORYDZRPONSBM-UGKGYDQZSA-N 1 3 353.510 2.603 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086618227 1003518380 /nfs/dbraw/zinc/51/83/80/1003518380.db2.gz YHVFMHKXWAWSBD-FCHUYYIVSA-N 1 3 367.537 2.714 20 30 FFEDHO Cc1nnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C#N)c1C ZINC001170526406 1004610960 /nfs/dbraw/zinc/61/09/60/1004610960.db2.gz ZLGPRMRRFFAWGU-UHFFFAOYSA-N 1 3 374.492 2.875 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCN1Cc1cccc(C#N)c1 ZINC001489117644 1005413687 /nfs/dbraw/zinc/41/36/87/1005413687.db2.gz UASUKLSLMRERSH-PCCBWWKXSA-N 1 3 368.525 2.902 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CCN1Cc1cccc(C#N)c1 ZINC001489117644 1005413688 /nfs/dbraw/zinc/41/36/88/1005413688.db2.gz UASUKLSLMRERSH-PCCBWWKXSA-N 1 3 368.525 2.902 20 30 FFEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884378315 1007401627 /nfs/dbraw/zinc/40/16/27/1007401627.db2.gz OSOPQSAFHVSNAZ-ACIXJAQOSA-N 1 3 372.557 2.629 20 30 FFEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)CC1 ZINC000884378315 1007401635 /nfs/dbraw/zinc/40/16/35/1007401635.db2.gz OSOPQSAFHVSNAZ-ACIXJAQOSA-N 1 3 372.557 2.629 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000104180304 1009932771 /nfs/dbraw/zinc/93/27/71/1009932771.db2.gz MFHFXUDMQPCBNJ-MRXNPFEDSA-N 1 3 371.460 2.902 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001093224507 1010167769 /nfs/dbraw/zinc/16/77/69/1010167769.db2.gz ZSYIWBJFUYFBRB-WIYYLYMNSA-N 1 3 359.558 2.596 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001093224507 1010167774 /nfs/dbraw/zinc/16/77/74/1010167774.db2.gz ZSYIWBJFUYFBRB-WIYYLYMNSA-N 1 3 359.558 2.596 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC=C(C)C)CC3)CC1 ZINC001094582406 1011267144 /nfs/dbraw/zinc/26/71/44/1011267144.db2.gz NPYJMIWBKABSFM-IFMALSPDSA-N 1 3 357.542 2.659 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC001094582406 1011267157 /nfs/dbraw/zinc/26/71/57/1011267157.db2.gz NPYJMIWBKABSFM-IFMALSPDSA-N 1 3 357.542 2.659 20 30 FFEDHO C=CCCCCCCC[N@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275337113 1012326921 /nfs/dbraw/zinc/32/69/21/1012326921.db2.gz NQIANBLEFNGOLD-OAQYLSRUSA-N 1 3 365.562 2.626 20 30 FFEDHO C=CCCCCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275337113 1012326933 /nfs/dbraw/zinc/32/69/33/1012326933.db2.gz NQIANBLEFNGOLD-OAQYLSRUSA-N 1 3 365.562 2.626 20 30 FFEDHO COc1ccc(CNC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1OC ZINC000303897888 1012505254 /nfs/dbraw/zinc/50/52/54/1012505254.db2.gz VGURCPUIWLDTJE-FOIQADDNSA-N 1 3 362.518 2.619 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC2CCC2)CC1 ZINC001098459350 1020926015 /nfs/dbraw/zinc/92/60/15/1020926015.db2.gz JWUSFGBHSMQWAG-NJYVYQBISA-N 1 3 357.542 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC2CCC2)CC1 ZINC001098459350 1020926016 /nfs/dbraw/zinc/92/60/16/1020926016.db2.gz JWUSFGBHSMQWAG-NJYVYQBISA-N 1 3 357.542 2.633 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099284752 1022222127 /nfs/dbraw/zinc/22/21/27/1022222127.db2.gz KHRGPVJAYNTGNG-IAGOWNOFSA-N 1 3 369.431 2.569 20 30 FFEDHO N#Cc1c(NC(=O)[C@H]2CC[C@H](c3ccccc3)[NH2+]C2)sc2c1CCNC2 ZINC001218553890 1033219743 /nfs/dbraw/zinc/21/97/43/1033219743.db2.gz SWYAITQOPWWBLF-WMLDXEAASA-N 1 3 366.490 2.945 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101440197 1024747056 /nfs/dbraw/zinc/74/70/56/1024747056.db2.gz KEGZNNPZEYALPZ-IRLDBZIGSA-N 1 3 368.525 2.570 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101440197 1024747064 /nfs/dbraw/zinc/74/70/64/1024747064.db2.gz KEGZNNPZEYALPZ-IRLDBZIGSA-N 1 3 368.525 2.570 20 30 FFEDHO C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001102504576 1026153872 /nfs/dbraw/zinc/15/38/72/1026153872.db2.gz URDYJBXKAAQEOD-VAMGGRTRSA-N 1 3 365.562 2.528 20 30 FFEDHO C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001102504576 1026153883 /nfs/dbraw/zinc/15/38/83/1026153883.db2.gz URDYJBXKAAQEOD-VAMGGRTRSA-N 1 3 365.562 2.528 20 30 FFEDHO Cc1nc(C#N)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159466562 1027400660 /nfs/dbraw/zinc/40/06/60/1027400660.db2.gz HJZGJDVKLZGNEZ-UHFFFAOYSA-N 1 3 360.465 2.566 20 30 FFEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103436074 1027481505 /nfs/dbraw/zinc/48/15/05/1027481505.db2.gz JLGGNILAMAFEJA-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103436074 1027481517 /nfs/dbraw/zinc/48/15/17/1027481517.db2.gz JLGGNILAMAFEJA-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757346 1028146823 /nfs/dbraw/zinc/14/68/23/1028146823.db2.gz WXWVRPCEOMIFDL-KBAYOESNSA-N 1 3 355.954 2.934 20 30 FFEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cnc(CN)c2C(=O)OCC)cc1 ZINC001162541190 1028575449 /nfs/dbraw/zinc/57/54/49/1028575449.db2.gz RASGSJNHAJVURU-SFHVURJKSA-N 1 3 354.454 2.831 20 30 FFEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cnc(CN)c2C(=O)OCC)cc1 ZINC001162541190 1028575458 /nfs/dbraw/zinc/57/54/58/1028575458.db2.gz RASGSJNHAJVURU-SFHVURJKSA-N 1 3 354.454 2.831 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223962190 1033663504 /nfs/dbraw/zinc/66/35/04/1033663504.db2.gz KRUOACOGVOKGAD-RTWAWAEBSA-N 1 3 368.525 2.713 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223962190 1033663513 /nfs/dbraw/zinc/66/35/13/1033663513.db2.gz KRUOACOGVOKGAD-RTWAWAEBSA-N 1 3 368.525 2.713 20 30 FFEDHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001226932848 1034888388 /nfs/dbraw/zinc/88/83/88/1034888388.db2.gz SDMFPJLELQTQRN-AQNXPRMDSA-N 1 3 356.514 2.661 20 30 FFEDHO C#CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)C1CCN(C)CC1 ZINC001227455194 1035561512 /nfs/dbraw/zinc/56/15/12/1035561512.db2.gz AMMCEZZEQQHZGF-GOSISDBHSA-N 1 3 362.562 2.626 20 30 FFEDHO C#CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)C1CCN(C)CC1 ZINC001227455194 1035561522 /nfs/dbraw/zinc/56/15/22/1035561522.db2.gz AMMCEZZEQQHZGF-GOSISDBHSA-N 1 3 362.562 2.626 20 30 FFEDHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001229231534 1036566507 /nfs/dbraw/zinc/56/65/07/1036566507.db2.gz QFSGWWHMGXCMTE-WOJBJXKFSA-N 1 3 359.489 2.536 20 30 FFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCN1CCCC ZINC001229615428 1036778316 /nfs/dbraw/zinc/77/83/16/1036778316.db2.gz JYLWJRNZNTVSLE-VAMGGRTRSA-N 1 3 365.562 2.861 20 30 FFEDHO COc1cc(C#N)ccc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001231616650 1037735892 /nfs/dbraw/zinc/73/58/92/1037735892.db2.gz JQUTXNKXHQNAOY-UHFFFAOYSA-N 1 3 357.498 2.891 20 30 FFEDHO CCCCCCCC[C@H](O)CN1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246029741 1039203228 /nfs/dbraw/zinc/20/32/28/1039203228.db2.gz MFEXMTJTAZZGNU-ZJOUEHCJSA-N 1 3 368.562 2.963 20 30 FFEDHO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CNCCC[C@]2(C(=O)OCC)C1 ZINC001246029741 1039203239 /nfs/dbraw/zinc/20/32/39/1039203239.db2.gz MFEXMTJTAZZGNU-ZJOUEHCJSA-N 1 3 368.562 2.963 20 30 FFEDHO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CNCCC[C@]2(C(=O)OCC)C1 ZINC001246029741 1039203248 /nfs/dbraw/zinc/20/32/48/1039203248.db2.gz MFEXMTJTAZZGNU-ZJOUEHCJSA-N 1 3 368.562 2.963 20 30 FFEDHO C[NH2+]CC[C@@H](C)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246332234 1039315064 /nfs/dbraw/zinc/31/50/64/1039315064.db2.gz GNYMRKNSGGGPNJ-GOSISDBHSA-N 1 3 361.489 2.911 20 30 FFEDHO C=CCC[C@H](O)C[NH+]1CCC2(C[C@@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001252595868 1039605729 /nfs/dbraw/zinc/60/57/29/1039605729.db2.gz KTEBRWFNUBLXSV-SFTDATJTSA-N 1 3 373.541 2.712 20 30 FFEDHO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001252595866 1039606113 /nfs/dbraw/zinc/60/61/13/1039606113.db2.gz KTEBRWFNUBLXSV-NHCUHLMSSA-N 1 3 373.541 2.712 20 30 FFEDHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001278734574 1040294394 /nfs/dbraw/zinc/29/43/94/1040294394.db2.gz BINLFMLJJSLFEJ-OAQYLSRUSA-N 1 3 358.505 2.937 20 30 FFEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](OC)C1 ZINC001213921702 1041074771 /nfs/dbraw/zinc/07/47/71/1041074771.db2.gz HXAQEFGCKJEVGA-NSISKUIASA-N 1 3 359.514 2.532 20 30 FFEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](OC)C1 ZINC001213921702 1041074785 /nfs/dbraw/zinc/07/47/85/1041074785.db2.gz HXAQEFGCKJEVGA-NSISKUIASA-N 1 3 359.514 2.532 20 30 FFEDHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1)C(C)C ZINC001215977105 1041922138 /nfs/dbraw/zinc/92/21/38/1041922138.db2.gz FVESPILZZBWLCQ-CEMLEFRQSA-N 1 3 369.553 2.841 20 30 FFEDHO Cn1cc(CN2CCC3(C2)CC[NH+](C[C@H]2CCCCO2)CC3)cc1C#N ZINC001279475137 1043157647 /nfs/dbraw/zinc/15/76/47/1043157647.db2.gz WRUNWIOCJLZLIO-HXUWFJFHSA-N 1 3 356.514 2.754 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339719119 1050151282 /nfs/dbraw/zinc/15/12/82/1050151282.db2.gz HKRPSZDUBAKBFX-QGZVFWFLSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001342246931 1050837893 /nfs/dbraw/zinc/83/78/93/1050837893.db2.gz GGXMCYXPJOCGKM-SFHVURJKSA-N 1 3 374.577 2.974 20 30 FFEDHO N#Cc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1F ZINC000849117023 1056769720 /nfs/dbraw/zinc/76/97/20/1056769720.db2.gz QEHGZHCSXUMAKE-UHFFFAOYSA-N 1 3 365.456 2.976 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001355888863 1060698062 /nfs/dbraw/zinc/69/80/62/1060698062.db2.gz RLVMHHMEJBCMBB-KRWDZBQOSA-N 1 3 360.550 2.584 20 30 FFEDHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001479578685 1062573738 /nfs/dbraw/zinc/57/37/38/1062573738.db2.gz PLROJHPCGHTUOL-XLIONFOSSA-N 1 3 356.514 2.617 20 30 FFEDHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C[N@@H+]2C1 ZINC001583966812 1079289927 /nfs/dbraw/zinc/28/99/27/1079289927.db2.gz UOBYQOHLQBQDJB-JRGCBEDISA-N 1 3 368.525 2.569 20 30 FFEDHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C[N@H+]2C1 ZINC001583966812 1079289933 /nfs/dbraw/zinc/28/99/33/1079289933.db2.gz UOBYQOHLQBQDJB-JRGCBEDISA-N 1 3 368.525 2.569 20 30 FFEDHO C=CCOc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050798926 507713030 /nfs/dbraw/zinc/71/30/30/507713030.db2.gz SYIONIBCGZSBKN-UHFFFAOYSA-N 1 3 357.498 2.540 20 30 FFEDHO C=CCN(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760359 507783652 /nfs/dbraw/zinc/78/36/52/507783652.db2.gz TUSAKOSXFWZFOL-UHFFFAOYSA-N 1 3 370.541 2.943 20 30 FFEDHO C#CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000136587921 508701891 /nfs/dbraw/zinc/70/18/91/508701891.db2.gz WEDHXJKJMJQEGN-FGZHOGPDSA-N 1 3 356.510 2.946 20 30 FFEDHO C=CCC[C@H](O)CN1CCCC2(CCC[N@H+](C[C@@H](O)CCC=C)C2)C1 ZINC000377728495 512422450 /nfs/dbraw/zinc/42/24/50/512422450.db2.gz UQDOOALNXMEQOA-AHTKWCMKSA-N 1 3 350.547 2.819 20 30 FFEDHO C=CCC[C@H](O)CN1CCCC2(CCC[N@@H+](C[C@@H](O)CCC=C)C2)C1 ZINC000377728495 512422454 /nfs/dbraw/zinc/42/24/54/512422454.db2.gz UQDOOALNXMEQOA-AHTKWCMKSA-N 1 3 350.547 2.819 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000126207618 509071609 /nfs/dbraw/zinc/07/16/09/509071609.db2.gz HPIYDAXJPKPLOO-GOSISDBHSA-N 1 3 350.551 2.694 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000126207618 509071610 /nfs/dbraw/zinc/07/16/10/509071610.db2.gz HPIYDAXJPKPLOO-GOSISDBHSA-N 1 3 350.551 2.694 20 30 FFEDHO C=CCN1CCC(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000179274212 509350766 /nfs/dbraw/zinc/35/07/66/509350766.db2.gz XVRLZIADONPDQZ-UHFFFAOYSA-N 1 3 358.530 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179274212 509350771 /nfs/dbraw/zinc/35/07/71/509350771.db2.gz XVRLZIADONPDQZ-UHFFFAOYSA-N 1 3 358.530 2.847 20 30 FFEDHO [NH2+]=C(NCCCOC1CCN(Cc2ccccc2)CC1)Nc1ccccn1 ZINC000176397620 509487733 /nfs/dbraw/zinc/48/77/33/509487733.db2.gz JISBYVBNCNFZNM-UHFFFAOYSA-N 1 3 367.497 2.880 20 30 FFEDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000267891097 509657295 /nfs/dbraw/zinc/65/72/95/509657295.db2.gz RZUNSXWUSLKZAZ-GOSISDBHSA-N 1 3 363.502 2.824 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000186769219 509893570 /nfs/dbraw/zinc/89/35/70/509893570.db2.gz WZEILBZDPQMBCR-QFIPXVFZSA-N 1 3 370.541 2.991 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000186769219 509893573 /nfs/dbraw/zinc/89/35/73/509893573.db2.gz WZEILBZDPQMBCR-QFIPXVFZSA-N 1 3 370.541 2.991 20 30 FFEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@H](O)C1)Nc1ccc2c(c1)CCC2 ZINC000262267756 510226480 /nfs/dbraw/zinc/22/64/80/510226480.db2.gz UDRSSIGFXQEOFV-NRFANRHFSA-N 1 3 364.493 2.669 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000171711902 510324794 /nfs/dbraw/zinc/32/47/94/510324794.db2.gz CREJVCJQBQNLCN-HXUWFJFHSA-N 1 3 356.514 2.773 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000171711205 510324968 /nfs/dbraw/zinc/32/49/68/510324968.db2.gz FBXJWCJTYXBOFW-LJQANCHMSA-N 1 3 350.551 2.693 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000171715417 510327811 /nfs/dbraw/zinc/32/78/11/510327811.db2.gz XOJSLGNBEUQJRR-FQEVSTJZSA-N 1 3 356.514 2.601 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000171734083 510337859 /nfs/dbraw/zinc/33/78/59/510337859.db2.gz CJYIBLVSDLZJEG-FQEVSTJZSA-N 1 3 370.541 2.501 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000171734083 510337868 /nfs/dbraw/zinc/33/78/68/510337868.db2.gz CJYIBLVSDLZJEG-FQEVSTJZSA-N 1 3 370.541 2.501 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1C ZINC000178586724 510674892 /nfs/dbraw/zinc/67/48/92/510674892.db2.gz QIRJSSXINQPGFU-GOSISDBHSA-N 1 3 357.502 2.747 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1C ZINC000178586724 510674896 /nfs/dbraw/zinc/67/48/96/510674896.db2.gz QIRJSSXINQPGFU-GOSISDBHSA-N 1 3 357.502 2.747 20 30 FFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278680616 511003232 /nfs/dbraw/zinc/00/32/32/511003232.db2.gz OYLNLDAJCFTMQE-MOPGFXCFSA-N 1 3 352.486 2.821 20 30 FFEDHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279610196 511145169 /nfs/dbraw/zinc/14/51/69/511145169.db2.gz TVSBNBQNOUYIJM-AXVVYFOYSA-N 1 3 352.482 2.723 20 30 FFEDHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279610196 511145173 /nfs/dbraw/zinc/14/51/73/511145173.db2.gz TVSBNBQNOUYIJM-AXVVYFOYSA-N 1 3 352.482 2.723 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000280302869 511413577 /nfs/dbraw/zinc/41/35/77/511413577.db2.gz HJANBIVXYPLFTP-LJQANCHMSA-N 1 3 350.466 2.717 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000280302869 511413583 /nfs/dbraw/zinc/41/35/83/511413583.db2.gz HJANBIVXYPLFTP-LJQANCHMSA-N 1 3 350.466 2.717 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000441018438 513463426 /nfs/dbraw/zinc/46/34/26/513463426.db2.gz GGRYMCDMVBTEIR-UHFFFAOYSA-N 1 3 362.562 2.982 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)C(C)C ZINC000480541535 514993173 /nfs/dbraw/zinc/99/31/73/514993173.db2.gz LVUWQGPDZJFZTK-VAMGGRTRSA-N 1 3 362.562 2.953 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000454461274 515508098 /nfs/dbraw/zinc/50/80/98/515508098.db2.gz IZVRIEZCPXYGEJ-IBGZPJMESA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C(C)C ZINC000457738365 516110099 /nfs/dbraw/zinc/11/00/99/516110099.db2.gz GBCZRLLNSVXDBD-CTNGQTDRSA-N 1 3 362.562 2.812 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000457738365 516110104 /nfs/dbraw/zinc/11/01/04/516110104.db2.gz GBCZRLLNSVXDBD-CTNGQTDRSA-N 1 3 362.562 2.812 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC000518626096 516726394 /nfs/dbraw/zinc/72/63/94/516726394.db2.gz FZCMLOJQPDNSQL-WOJBJXKFSA-N 1 3 362.562 2.955 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565567559 519020874 /nfs/dbraw/zinc/02/08/74/519020874.db2.gz UBJZICGDMLWCLM-DSKINZAPSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000565567559 519020880 /nfs/dbraw/zinc/02/08/80/519020880.db2.gz UBJZICGDMLWCLM-DSKINZAPSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000565567559 519020887 /nfs/dbraw/zinc/02/08/87/519020887.db2.gz UBJZICGDMLWCLM-DSKINZAPSA-N 1 3 371.525 2.735 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000592351823 520345382 /nfs/dbraw/zinc/34/53/82/520345382.db2.gz BQVYYZVJPXOTOG-UHFFFAOYSA-N 1 3 350.551 2.790 20 30 FFEDHO C[C@H](CCNC[C@@H](O)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000600725022 520426516 /nfs/dbraw/zinc/42/65/16/520426516.db2.gz AKEFRTCHARMUPH-QUCCMNQESA-N 1 3 359.514 2.558 20 30 FFEDHO C[C@H](CCNC[C@@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600725022 520426520 /nfs/dbraw/zinc/42/65/20/520426520.db2.gz AKEFRTCHARMUPH-QUCCMNQESA-N 1 3 359.514 2.558 20 30 FFEDHO C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000614178411 520837864 /nfs/dbraw/zinc/83/78/64/520837864.db2.gz AOCIEMOXONBSAT-NQIIRXRSSA-N 1 3 354.542 2.946 20 30 FFEDHO N#Cc1ccc(CN2CCC(NCc3ccc(C[NH3+])cc3F)CC2)cc1 ZINC000593322526 520910144 /nfs/dbraw/zinc/91/01/44/520910144.db2.gz OGHWQLNRNMANEB-UHFFFAOYSA-N 1 3 352.457 2.910 20 30 FFEDHO N#Cc1ccccc1OC[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000599266728 521118978 /nfs/dbraw/zinc/11/89/78/521118978.db2.gz LIOVNGAOUNPXDN-NRFANRHFSA-N 1 3 371.525 2.886 20 30 FFEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000611587610 521239397 /nfs/dbraw/zinc/23/93/97/521239397.db2.gz FZQIAWYECKXGHU-ILWGZMRPSA-N 1 3 352.526 2.865 20 30 FFEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CC[C@@](C)(CC)C1 ZINC000261839912 729654350 /nfs/dbraw/zinc/65/43/50/729654350.db2.gz WMCXCXHOCNAYSB-LJQANCHMSA-N 1 3 350.551 2.719 20 30 FFEDHO C[NH+]=C(NCC(C)(C)N1CCCCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262383337 729665140 /nfs/dbraw/zinc/66/51/40/729665140.db2.gz HIXXDYAZFHEDEN-BBWFWOEESA-N 1 3 350.551 2.620 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC(F)(F)F)cc1 ZINC000303873209 729734998 /nfs/dbraw/zinc/73/49/98/729734998.db2.gz CIFLNWJOWBQXLE-AWEZNQCLSA-N 1 3 358.408 2.516 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876974855 732306007 /nfs/dbraw/zinc/30/60/07/732306007.db2.gz VQFAYIVUNWLLGS-ROUUACIJSA-N 1 3 361.917 2.875 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876974855 732306013 /nfs/dbraw/zinc/30/60/13/732306013.db2.gz VQFAYIVUNWLLGS-ROUUACIJSA-N 1 3 361.917 2.875 20 30 FFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000999441808 742061931 /nfs/dbraw/zinc/06/19/31/742061931.db2.gz FXRUIBZPLUCIIV-GMNCBBECSA-N 1 3 361.917 2.663 20 30 FFEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000999441808 742061936 /nfs/dbraw/zinc/06/19/36/742061936.db2.gz FXRUIBZPLUCIIV-GMNCBBECSA-N 1 3 361.917 2.663 20 30 FFEDHO CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116854 1014500117 /nfs/dbraw/zinc/50/01/17/1014500117.db2.gz SXZPBIOTVXNMAX-NRFANRHFSA-N 1 3 357.498 2.912 20 30 FFEDHO CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116854 1014500125 /nfs/dbraw/zinc/50/01/25/1014500125.db2.gz SXZPBIOTVXNMAX-NRFANRHFSA-N 1 3 357.498 2.912 20 30 FFEDHO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262795359 979931032 /nfs/dbraw/zinc/93/10/32/979931032.db2.gz PHQCOSAZRQQZHD-LJQANCHMSA-N 1 3 367.497 2.977 20 30 FFEDHO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H](N2CCCCC2)C1 ZINC000262798851 979933568 /nfs/dbraw/zinc/93/35/68/979933568.db2.gz QLRXYDWPFQJKSJ-ZWKOTPCHSA-N 1 3 356.514 2.688 20 30 FFEDHO C#CCN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CCN(C)CC1 ZINC000922328289 988422600 /nfs/dbraw/zinc/42/26/00/988422600.db2.gz AUXOIBWPFWFJJV-HXUWFJFHSA-N 1 3 360.546 2.523 20 30 FFEDHO C#CCN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CCN(C)CC1 ZINC000922328289 988422607 /nfs/dbraw/zinc/42/26/07/988422607.db2.gz AUXOIBWPFWFJJV-HXUWFJFHSA-N 1 3 360.546 2.523 20 30 FFEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050523 992274916 /nfs/dbraw/zinc/27/49/16/992274916.db2.gz WTJYIOYZMBKPJG-HKBOAZHASA-N 1 3 367.537 2.572 20 30 FFEDHO CC#CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050523 992274929 /nfs/dbraw/zinc/27/49/29/992274929.db2.gz WTJYIOYZMBKPJG-HKBOAZHASA-N 1 3 367.537 2.572 20 30 FFEDHO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001082055370 994133274 /nfs/dbraw/zinc/13/32/74/994133274.db2.gz OLLNPKMAJBBEAZ-VAMGGRTRSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H](OC)C1 ZINC001082055370 994133279 /nfs/dbraw/zinc/13/32/79/994133279.db2.gz OLLNPKMAJBBEAZ-VAMGGRTRSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055370 994133284 /nfs/dbraw/zinc/13/32/84/994133284.db2.gz OLLNPKMAJBBEAZ-VAMGGRTRSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082055370 994133292 /nfs/dbraw/zinc/13/32/92/994133292.db2.gz OLLNPKMAJBBEAZ-VAMGGRTRSA-N 1 3 363.546 2.565 20 30 FFEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001133398491 995490891 /nfs/dbraw/zinc/49/08/91/995490891.db2.gz ZCTYKFTXOBVJJG-VQIMIIECSA-N 1 3 361.917 2.622 20 30 FFEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001133398491 995490901 /nfs/dbraw/zinc/49/09/01/995490901.db2.gz ZCTYKFTXOBVJJG-VQIMIIECSA-N 1 3 361.917 2.622 20 30 FFEDHO N=C(Nc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185449 998567772 /nfs/dbraw/zinc/56/77/72/998567772.db2.gz XMPAXVVDXVLLOY-UHFFFAOYSA-N 1 3 360.461 2.988 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)c2ccccc2)CC1 ZINC001096605438 1016343521 /nfs/dbraw/zinc/34/35/21/1016343521.db2.gz PCBJSZRFPYXYKB-GFRNBQLOSA-N 1 3 365.521 2.814 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ccccc2)CC1 ZINC001096605438 1016343531 /nfs/dbraw/zinc/34/35/31/1016343531.db2.gz PCBJSZRFPYXYKB-GFRNBQLOSA-N 1 3 365.521 2.814 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC001093223858 1010168515 /nfs/dbraw/zinc/16/85/15/1010168515.db2.gz IHXAILIPISGRET-WIYYLYMNSA-N 1 3 359.558 2.596 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2C)CC1 ZINC001093223858 1010168523 /nfs/dbraw/zinc/16/85/23/1010168523.db2.gz IHXAILIPISGRET-WIYYLYMNSA-N 1 3 359.558 2.596 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225926 1010171291 /nfs/dbraw/zinc/17/12/91/1010171291.db2.gz UUPLWRPGLXLZRT-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225926 1010171296 /nfs/dbraw/zinc/17/12/96/1010171296.db2.gz UUPLWRPGLXLZRT-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCOCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077410 1011614956 /nfs/dbraw/zinc/61/49/56/1011614956.db2.gz RIJFMIYKQHKVHY-DKUWSORSSA-N 1 3 356.510 2.828 20 30 FFEDHO C#CCOCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077410 1011614960 /nfs/dbraw/zinc/61/49/60/1011614960.db2.gz RIJFMIYKQHKVHY-DKUWSORSSA-N 1 3 356.510 2.828 20 30 FFEDHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@H](C)C1 ZINC001172980272 1012149044 /nfs/dbraw/zinc/14/90/44/1012149044.db2.gz VTNMRPFIIPUEEQ-VSZNYVQBSA-N 1 3 364.534 2.986 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)c2ccccc2)CC1 ZINC001098461059 1020927447 /nfs/dbraw/zinc/92/74/47/1020927447.db2.gz PCBJSZRFPYXYKB-CIQXWFTPSA-N 1 3 365.521 2.814 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)c2ccccc2)CC1 ZINC001098461059 1020927453 /nfs/dbraw/zinc/92/74/53/1020927453.db2.gz PCBJSZRFPYXYKB-CIQXWFTPSA-N 1 3 365.521 2.814 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000155395847 1022248849 /nfs/dbraw/zinc/24/88/49/1022248849.db2.gz WFHQGPPQVMZJNB-UHFFFAOYSA-N 1 3 369.509 2.835 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C(F)(F)F ZINC001099322059 1022292113 /nfs/dbraw/zinc/29/21/13/1022292113.db2.gz IQHQCDPOTILORH-IAGOWNOFSA-N 1 3 369.431 2.917 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000753298058 1023302948 /nfs/dbraw/zinc/30/29/48/1023302948.db2.gz FGTOGXHLQHFFBN-CTNGQTDRSA-N 1 3 367.537 2.749 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000753298058 1023302956 /nfs/dbraw/zinc/30/29/56/1023302956.db2.gz FGTOGXHLQHFFBN-CTNGQTDRSA-N 1 3 367.537 2.749 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527839 1033203184 /nfs/dbraw/zinc/20/31/84/1033203184.db2.gz OWYGTKNMNOHMKC-LWYYNNOASA-N 1 3 365.562 2.599 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218527839 1033203196 /nfs/dbraw/zinc/20/31/96/1033203196.db2.gz OWYGTKNMNOHMKC-LWYYNNOASA-N 1 3 365.562 2.599 20 30 FFEDHO N#Cc1c2c(sc1NC(=O)c1cccc([C@@H]3CCC[NH2+]3)c1)CNCC2 ZINC001218553892 1033218655 /nfs/dbraw/zinc/21/86/55/1033218655.db2.gz SXZUTBYETYGEKC-INIZCTEOSA-N 1 3 352.463 2.942 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)N2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001161584575 1028239461 /nfs/dbraw/zinc/23/94/61/1028239461.db2.gz FQRSAKZMBRBWGD-OAQYLSRUSA-N 1 3 374.488 2.612 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796661 1033825104 /nfs/dbraw/zinc/82/51/04/1033825104.db2.gz LJIDXKUGNXHRPA-AQNXPRMDSA-N 1 3 365.562 2.525 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796661 1033825118 /nfs/dbraw/zinc/82/51/18/1033825118.db2.gz LJIDXKUGNXHRPA-AQNXPRMDSA-N 1 3 365.562 2.525 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccc2ccccc2c1 ZINC001220868912 1034438964 /nfs/dbraw/zinc/43/89/64/1034438964.db2.gz ZDWTYTLRWIAUOT-SFTDATJTSA-N 1 3 351.494 2.866 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001226843967 1034859541 /nfs/dbraw/zinc/85/95/41/1034859541.db2.gz XLLATNVYFMABMY-QUCCMNQESA-N 1 3 370.541 2.704 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001226843967 1034859550 /nfs/dbraw/zinc/85/95/50/1034859550.db2.gz XLLATNVYFMABMY-QUCCMNQESA-N 1 3 370.541 2.704 20 30 FFEDHO C#CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)C1CCN(C)CC1 ZINC001227455195 1035561904 /nfs/dbraw/zinc/56/19/04/1035561904.db2.gz AMMCEZZEQQHZGF-SFHVURJKSA-N 1 3 362.562 2.626 20 30 FFEDHO C#CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)C1CCN(C)CC1 ZINC001227455195 1035561907 /nfs/dbraw/zinc/56/19/07/1035561907.db2.gz AMMCEZZEQQHZGF-SFHVURJKSA-N 1 3 362.562 2.626 20 30 FFEDHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001230279476 1037191094 /nfs/dbraw/zinc/19/10/94/1037191094.db2.gz BRPJOVSMIVEITP-WOJBJXKFSA-N 1 3 359.489 2.534 20 30 FFEDHO [NH3+]CC1CN([C@@H]2CCCN(Cc3ccc(C#Cc4ccccc4)cc3)C2)C1 ZINC001236081164 1037924662 /nfs/dbraw/zinc/92/46/62/1037924662.db2.gz ZCTLNYJBMCCOOH-XMMPIXPASA-N 1 3 359.517 2.941 20 30 FFEDHO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001232147410 1038197544 /nfs/dbraw/zinc/19/75/44/1038197544.db2.gz IEDONITWEOOEGH-OAQYLSRUSA-N 1 3 359.489 2.888 20 30 FFEDHO C=CCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001232147410 1038197551 /nfs/dbraw/zinc/19/75/51/1038197551.db2.gz IEDONITWEOOEGH-OAQYLSRUSA-N 1 3 359.489 2.888 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001215563627 1041829587 /nfs/dbraw/zinc/82/95/87/1041829587.db2.gz KAOHCRVABQZIMB-RHSMWYFYSA-N 1 3 362.543 2.534 20 30 FFEDHO CCOC(C)(C)C[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001278211472 1043634077 /nfs/dbraw/zinc/63/40/77/1043634077.db2.gz NUWWAIYEQHYWPE-KDURUIRLSA-N 1 3 358.530 2.856 20 30 FFEDHO CCOC(C)(C)C[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001278211472 1043634081 /nfs/dbraw/zinc/63/40/81/1043634081.db2.gz NUWWAIYEQHYWPE-KDURUIRLSA-N 1 3 358.530 2.856 20 30 FFEDHO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001341867695 1050476349 /nfs/dbraw/zinc/47/63/49/1050476349.db2.gz AGFAGOCZEOSACR-UHFFFAOYSA-N 1 3 372.561 2.728 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1CC ZINC001566026558 1076862707 /nfs/dbraw/zinc/86/27/07/1076862707.db2.gz CPJGGUTUWZOZKT-VQTJNVASSA-N 1 3 356.514 2.759 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1CC ZINC001566026558 1076862710 /nfs/dbraw/zinc/86/27/10/1076862710.db2.gz CPJGGUTUWZOZKT-VQTJNVASSA-N 1 3 356.514 2.759 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000179153258 509290798 /nfs/dbraw/zinc/29/07/98/509290798.db2.gz LAMFPMRMVMUBDM-WOJBJXKFSA-N 1 3 356.514 2.772 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248396161 509291804 /nfs/dbraw/zinc/29/18/04/509291804.db2.gz JYWDNKGKURQAMI-DRSNIGMVSA-N 1 3 368.525 2.541 20 30 FFEDHO N#C[C@H]1CCC[C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000185824890 509373955 /nfs/dbraw/zinc/37/39/55/509373955.db2.gz QDHPXDNABPLHJX-PWIZWCRZSA-N 1 3 354.498 2.556 20 30 FFEDHO N#C[C@H]1CCC[C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000185824890 509373964 /nfs/dbraw/zinc/37/39/64/509373964.db2.gz QDHPXDNABPLHJX-PWIZWCRZSA-N 1 3 354.498 2.556 20 30 FFEDHO COc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1C#N ZINC000180988142 510225173 /nfs/dbraw/zinc/22/51/73/510225173.db2.gz QTICLXNOTCUMNB-NRFANRHFSA-N 1 3 365.477 2.813 20 30 FFEDHO COc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1C#N ZINC000180988142 510225178 /nfs/dbraw/zinc/22/51/78/510225178.db2.gz QTICLXNOTCUMNB-NRFANRHFSA-N 1 3 365.477 2.813 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000172029893 510507856 /nfs/dbraw/zinc/50/78/56/510507856.db2.gz AZBVWSPJYBDJQN-UHFFFAOYSA-N 1 3 358.530 2.719 20 30 FFEDHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(OCC#N)cc1 ZINC000182090712 510751603 /nfs/dbraw/zinc/75/16/03/510751603.db2.gz YOPXDGUTNIUSCR-MRXNPFEDSA-N 1 3 354.454 2.775 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000292266800 511528970 /nfs/dbraw/zinc/52/89/70/511528970.db2.gz PYIQYHUEOGWVHL-NRFANRHFSA-N 1 3 367.537 2.750 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000292266800 511528973 /nfs/dbraw/zinc/52/89/73/511528973.db2.gz PYIQYHUEOGWVHL-NRFANRHFSA-N 1 3 367.537 2.750 20 30 FFEDHO CCOC1CC2(C1)CCN(CC#CC[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000367589488 512572825 /nfs/dbraw/zinc/57/28/25/512572825.db2.gz ZYBVLNLALWXIRA-UHFFFAOYSA-N 1 3 360.542 2.772 20 30 FFEDHO CCOC1CC2(C1)CCN(CC#CC[N@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000367589488 512572830 /nfs/dbraw/zinc/57/28/30/512572830.db2.gz ZYBVLNLALWXIRA-UHFFFAOYSA-N 1 3 360.542 2.772 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705502 513062024 /nfs/dbraw/zinc/06/20/24/513062024.db2.gz HEYHHYMFCZZPOK-KNQAVFIVSA-N 1 3 370.541 2.827 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705502 513062027 /nfs/dbraw/zinc/06/20/27/513062027.db2.gz HEYHHYMFCZZPOK-KNQAVFIVSA-N 1 3 370.541 2.827 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418355511 513480392 /nfs/dbraw/zinc/48/03/92/513480392.db2.gz FVJHECXOJAIDKK-HXUWFJFHSA-N 1 3 371.529 2.539 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C(C)C ZINC000415953260 513497212 /nfs/dbraw/zinc/49/72/12/513497212.db2.gz FGYDZOMWNWIGFG-YLJYHZDGSA-N 1 3 371.529 2.718 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000424139818 514397108 /nfs/dbraw/zinc/39/71/08/514397108.db2.gz FMWPTAGPYWFCKQ-PZJWPPBQSA-N 1 3 354.498 2.522 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424139818 514397110 /nfs/dbraw/zinc/39/71/10/514397110.db2.gz FMWPTAGPYWFCKQ-PZJWPPBQSA-N 1 3 354.498 2.522 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)C(C)C ZINC000480541531 514993644 /nfs/dbraw/zinc/99/36/44/514993644.db2.gz LVUWQGPDZJFZTK-HSALFYBXSA-N 1 3 362.562 2.953 20 30 FFEDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472399980 515257407 /nfs/dbraw/zinc/25/74/07/515257407.db2.gz BAXZAEBHZNSRGT-WOJBJXKFSA-N 1 3 352.482 2.867 20 30 FFEDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472399980 515257418 /nfs/dbraw/zinc/25/74/18/515257418.db2.gz BAXZAEBHZNSRGT-WOJBJXKFSA-N 1 3 352.482 2.867 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCC(C#N)CC3)CC2)CC1 ZINC000563400021 517881483 /nfs/dbraw/zinc/88/14/83/517881483.db2.gz FNEYZBVCZNSHFV-UHFFFAOYSA-N 1 3 360.546 2.629 20 30 FFEDHO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602878856 519944769 /nfs/dbraw/zinc/94/47/69/519944769.db2.gz ZLXYNGVFIHCCFP-SFHVURJKSA-N 1 3 354.498 2.739 20 30 FFEDHO C[C@@H](CCNC[C@H](O)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000600725005 520426714 /nfs/dbraw/zinc/42/67/14/520426714.db2.gz AKEFRTCHARMUPH-AZUAARDMSA-N 1 3 359.514 2.558 20 30 FFEDHO C[C@@H](CCNC[C@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600725005 520426720 /nfs/dbraw/zinc/42/67/20/520426720.db2.gz AKEFRTCHARMUPH-AZUAARDMSA-N 1 3 359.514 2.558 20 30 FFEDHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000610722143 520815099 /nfs/dbraw/zinc/81/50/99/520815099.db2.gz MROSQIGHBOVQBU-FQEVSTJZSA-N 1 3 371.529 2.506 20 30 FFEDHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602552776 521407325 /nfs/dbraw/zinc/40/73/25/521407325.db2.gz PRRRWOIENBDJCY-LSDHHAIUSA-N 1 3 357.285 2.733 20 30 FFEDHO C[NH+]=C(NCC(C)(C)N1CCCCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262383343 729665091 /nfs/dbraw/zinc/66/50/91/729665091.db2.gz HIXXDYAZFHEDEN-GVDBMIGSSA-N 1 3 350.551 2.620 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000876744869 732275549 /nfs/dbraw/zinc/27/55/49/732275549.db2.gz YWJMLRBJGXFJJW-MRXNPFEDSA-N 1 3 353.919 2.686 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876974856 732305839 /nfs/dbraw/zinc/30/58/39/732305839.db2.gz VQFAYIVUNWLLGS-ZWKOTPCHSA-N 1 3 361.917 2.875 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876974856 732305843 /nfs/dbraw/zinc/30/58/43/732305843.db2.gz VQFAYIVUNWLLGS-ZWKOTPCHSA-N 1 3 361.917 2.875 20 30 FFEDHO CC(C)[N@@H+]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728927576 734549605 /nfs/dbraw/zinc/54/96/05/734549605.db2.gz DZMFIUKKJJPBHN-HNNXBMFYSA-N 1 3 356.495 2.889 20 30 FFEDHO CC(C)[N@H+]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728927576 734549609 /nfs/dbraw/zinc/54/96/09/734549609.db2.gz DZMFIUKKJJPBHN-HNNXBMFYSA-N 1 3 356.495 2.889 20 30 FFEDHO CN(CCC[NH+]1CCCC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000799175627 740396614 /nfs/dbraw/zinc/39/66/14/740396614.db2.gz IGHBKPYREFRPJQ-OAHLLOKOSA-N 1 3 356.495 2.890 20 30 FFEDHO c1coc(CCNC(=[NH+]C2CC2)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000262608735 968184294 /nfs/dbraw/zinc/18/42/94/968184294.db2.gz ALCVCDGLRMRJDI-OXJNMPFZSA-N 1 3 356.514 2.879 20 30 FFEDHO C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2ccccc2C#N)C1 ZINC001112519086 968586991 /nfs/dbraw/zinc/58/69/91/968586991.db2.gz SPKZTIXGDZVIDF-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO C[NH+]=C(NCc1ccn(-c2ccccc2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000262440422 973235848 /nfs/dbraw/zinc/23/58/48/973235848.db2.gz HLXAQFFQCDSKHV-FQEVSTJZSA-N 1 3 366.513 2.508 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675518 974964885 /nfs/dbraw/zinc/96/48/85/974964885.db2.gz SNSQUWNMEWJISU-SESVDKBCSA-N 1 3 355.526 2.879 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000968867366 1014603502 /nfs/dbraw/zinc/60/35/02/1014603502.db2.gz VPSLAVHTMBQUPO-DUXKGJEZSA-N 1 3 368.525 2.759 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000968867366 1014603508 /nfs/dbraw/zinc/60/35/08/1014603508.db2.gz VPSLAVHTMBQUPO-DUXKGJEZSA-N 1 3 368.525 2.759 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090874325 997559327 /nfs/dbraw/zinc/55/93/27/997559327.db2.gz HHZABEQHWPCIRS-VQTJNVASSA-N 1 3 371.525 2.640 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1ccc(OC)cc1 ZINC001090885399 997625411 /nfs/dbraw/zinc/62/54/11/997625411.db2.gz NCPNSARYSKROQP-PWRODBHTSA-N 1 3 371.525 2.640 20 30 FFEDHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085217821 999185376 /nfs/dbraw/zinc/18/53/76/999185376.db2.gz SEQPECYYQIRKIG-NJYVYQBISA-N 1 3 368.525 2.950 20 30 FFEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092658364 1003362536 /nfs/dbraw/zinc/36/25/36/1003362536.db2.gz RFOMQCDPARGTGL-FCEUIQTBSA-N 1 3 367.537 2.597 20 30 FFEDHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092658364 1003362542 /nfs/dbraw/zinc/36/25/42/1003362542.db2.gz RFOMQCDPARGTGL-FCEUIQTBSA-N 1 3 367.537 2.597 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCC=C)CC1 ZINC001110147310 1010347996 /nfs/dbraw/zinc/34/79/96/1010347996.db2.gz WBGCLCJWIWOTCH-HKBOAZHASA-N 1 3 357.542 2.800 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCC=C)CC1 ZINC001110147310 1010348009 /nfs/dbraw/zinc/34/80/09/1010348009.db2.gz WBGCLCJWIWOTCH-HKBOAZHASA-N 1 3 357.542 2.800 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OC)c1OC1CCCC1 ZINC000304756073 1012864439 /nfs/dbraw/zinc/86/44/39/1012864439.db2.gz NJNWDLQWZNLXJF-KRWDZBQOSA-N 1 3 374.529 2.905 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C\CCC)CC1 ZINC001111455035 1017940868 /nfs/dbraw/zinc/94/08/68/1017940868.db2.gz JIOFNUONSZZHEW-XUVQKCHBSA-N 1 3 357.542 2.800 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C\CCC)CC1 ZINC001111455035 1017940878 /nfs/dbraw/zinc/94/08/78/1017940878.db2.gz JIOFNUONSZZHEW-XUVQKCHBSA-N 1 3 357.542 2.800 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001217941459 1032909833 /nfs/dbraw/zinc/90/98/33/1032909833.db2.gz RWPMLYUQCJIUAC-ZGXWSNOMSA-N 1 3 365.562 2.599 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001217941459 1032909849 /nfs/dbraw/zinc/90/98/49/1032909849.db2.gz RWPMLYUQCJIUAC-ZGXWSNOMSA-N 1 3 365.562 2.599 20 30 FFEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(CN3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337426 1020776429 /nfs/dbraw/zinc/77/64/29/1020776429.db2.gz RYUGPGYFOKTZGV-HDICACEKSA-N 1 3 357.498 2.780 20 30 FFEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337426 1020776435 /nfs/dbraw/zinc/77/64/35/1020776435.db2.gz RYUGPGYFOKTZGV-HDICACEKSA-N 1 3 357.498 2.780 20 30 FFEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337426 1020776441 /nfs/dbraw/zinc/77/64/41/1020776441.db2.gz RYUGPGYFOKTZGV-HDICACEKSA-N 1 3 357.498 2.780 20 30 FFEDHO C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337426 1020776448 /nfs/dbraw/zinc/77/64/48/1020776448.db2.gz RYUGPGYFOKTZGV-HDICACEKSA-N 1 3 357.498 2.780 20 30 FFEDHO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337426 1020776455 /nfs/dbraw/zinc/77/64/55/1020776455.db2.gz RYUGPGYFOKTZGV-HDICACEKSA-N 1 3 357.498 2.780 20 30 FFEDHO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099030009 1021631650 /nfs/dbraw/zinc/63/16/50/1021631650.db2.gz SRSVDWBKVRWCFY-DBVUQKKJSA-N 1 3 351.510 2.746 20 30 FFEDHO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099030009 1021631656 /nfs/dbraw/zinc/63/16/56/1021631656.db2.gz SRSVDWBKVRWCFY-DBVUQKKJSA-N 1 3 351.510 2.746 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099263416 1022185816 /nfs/dbraw/zinc/18/58/16/1022185816.db2.gz RVASTYWLLKQYNV-ARFHVFGLSA-N 1 3 361.452 2.804 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099263416 1022185825 /nfs/dbraw/zinc/18/58/25/1022185825.db2.gz RVASTYWLLKQYNV-ARFHVFGLSA-N 1 3 361.452 2.804 20 30 FFEDHO C[NH+](C)CCCCC(=O)N1C[C@H]2CN(Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001101437681 1024741428 /nfs/dbraw/zinc/74/14/28/1024741428.db2.gz JGXRHUQPURRNDY-IRLDBZIGSA-N 1 3 368.525 2.570 20 30 FFEDHO C#CCN(C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141580661 1026612852 /nfs/dbraw/zinc/61/28/52/1026612852.db2.gz GYYKJSIPJPXZLQ-FGZHOGPDSA-N 1 3 369.553 2.852 20 30 FFEDHO C#CCN(C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141580661 1026612855 /nfs/dbraw/zinc/61/28/55/1026612855.db2.gz GYYKJSIPJPXZLQ-FGZHOGPDSA-N 1 3 369.553 2.852 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268467 1027131201 /nfs/dbraw/zinc/13/12/01/1027131201.db2.gz ZBMMPQGYDIQPPX-OLMNPRSZSA-N 1 3 353.938 2.688 20 30 FFEDHO CN(C)/C=N/c1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1C#N ZINC001163064017 1028782648 /nfs/dbraw/zinc/78/26/48/1028782648.db2.gz PIARJCBEYVIQON-DTVDJLOLSA-N 1 3 350.470 2.803 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112180544 1030164540 /nfs/dbraw/zinc/16/45/40/1030164540.db2.gz CESNTRANSIFHCT-OAGGEKHMSA-N 1 3 363.468 2.908 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C(F)(F)F ZINC001112210756 1030251711 /nfs/dbraw/zinc/25/17/11/1030251711.db2.gz CRMXXYJHDQRUNF-IAGOWNOFSA-N 1 3 369.431 2.917 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072288 1033972176 /nfs/dbraw/zinc/97/21/76/1033972176.db2.gz OTLHFZLUMKTORA-MOPGFXCFSA-N 1 3 367.578 2.630 20 30 FFEDHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588056 1034901298 /nfs/dbraw/zinc/90/12/98/1034901298.db2.gz RHRJUBQYIKYPPH-CEXWTWQISA-N 1 3 353.526 2.945 20 30 FFEDHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588056 1034901303 /nfs/dbraw/zinc/90/13/03/1034901303.db2.gz RHRJUBQYIKYPPH-CEXWTWQISA-N 1 3 353.526 2.945 20 30 FFEDHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001228602083 1036198793 /nfs/dbraw/zinc/19/87/93/1036198793.db2.gz CFWRGRHAJLWURW-DUXKGJEZSA-N 1 3 371.500 2.536 20 30 FFEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001278734573 1040294507 /nfs/dbraw/zinc/29/45/07/1040294507.db2.gz BINLFMLJJSLFEJ-NRFANRHFSA-N 1 3 358.505 2.937 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCC#Cc2ccccc2)CC[N@@H+]1C ZINC001265670906 1042871633 /nfs/dbraw/zinc/87/16/33/1042871633.db2.gz XIAZOKAIQWZFKQ-BHIFYINESA-N 1 3 367.537 2.739 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCC#Cc2ccccc2)CC[N@H+]1C ZINC001265670906 1042871638 /nfs/dbraw/zinc/87/16/38/1042871638.db2.gz XIAZOKAIQWZFKQ-BHIFYINESA-N 1 3 367.537 2.739 20 30 FFEDHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ccc(C#N)cc3F)(C1)CCC2 ZINC001279226003 1042952589 /nfs/dbraw/zinc/95/25/89/1042952589.db2.gz IJOXHMIMQHKYPP-UXHICEINSA-N 1 3 361.461 2.842 20 30 FFEDHO Cc1ncoc1CN1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279358503 1043024874 /nfs/dbraw/zinc/02/48/74/1043024874.db2.gz LTBMFDDDMRVQTM-UHFFFAOYSA-N 1 3 353.470 2.681 20 30 FFEDHO Cc1ncoc1CN1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279358503 1043024879 /nfs/dbraw/zinc/02/48/79/1043024879.db2.gz LTBMFDDDMRVQTM-UHFFFAOYSA-N 1 3 353.470 2.681 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](C[C@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140458 1043335926 /nfs/dbraw/zinc/33/59/26/1043335926.db2.gz LSBQOIKYCQIBTE-SVFBPWRDSA-N 1 3 354.498 2.733 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](C[C@H]4CCC=CO4)C[C@H]3CC2)cc1C#N ZINC001278140458 1043335935 /nfs/dbraw/zinc/33/59/35/1043335935.db2.gz LSBQOIKYCQIBTE-SVFBPWRDSA-N 1 3 354.498 2.733 20 30 FFEDHO COc1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)ccc1C#N ZINC001280315786 1044594738 /nfs/dbraw/zinc/59/47/38/1044594738.db2.gz MPMPJDKAPNCZEC-RTWAWAEBSA-N 1 3 356.514 2.653 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)CC#Cc3ccccc3)CC2)CC[N@@H+]1C ZINC001317870694 1045156975 /nfs/dbraw/zinc/15/69/75/1045156975.db2.gz WGMHSSDLESCWQW-DENIHFKCSA-N 1 3 367.537 2.549 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)CC#Cc3ccccc3)CC2)CC[N@H+]1C ZINC001317870694 1045157000 /nfs/dbraw/zinc/15/70/00/1045157000.db2.gz WGMHSSDLESCWQW-DENIHFKCSA-N 1 3 367.537 2.549 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001321742375 1045781042 /nfs/dbraw/zinc/78/10/42/1045781042.db2.gz DTMMSUSHJFXKRF-UXHICEINSA-N 1 3 371.529 2.504 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001346526989 1053074077 /nfs/dbraw/zinc/07/40/77/1053074077.db2.gz PIPHWPSIUXEMQW-RBUKOAKNSA-N 1 3 374.577 2.832 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001346526989 1053074090 /nfs/dbraw/zinc/07/40/90/1053074090.db2.gz PIPHWPSIUXEMQW-RBUKOAKNSA-N 1 3 374.577 2.832 20 30 FFEDHO C#C[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1 ZINC000848107912 1058994534 /nfs/dbraw/zinc/99/45/34/1058994534.db2.gz URHPJVZFKIWVCY-OAQYLSRUSA-N 1 3 371.500 2.813 20 30 FFEDHO C=CC[C@]1(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CCC[NH2+]1 ZINC001574893051 1078091058 /nfs/dbraw/zinc/09/10/58/1078091058.db2.gz NWIXBRYUSBDKOK-TZIWHRDSSA-N 1 3 359.514 2.891 20 30 FFEDHO C=CC[C@@]1(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CCC[NH2+]1 ZINC001574893049 1078091112 /nfs/dbraw/zinc/09/11/12/1078091112.db2.gz NWIXBRYUSBDKOK-FPOVZHCZSA-N 1 3 359.514 2.891 20 30 FFEDHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000043179193 506714127 /nfs/dbraw/zinc/71/41/27/506714127.db2.gz SDYBNUUKFZWQCH-UHFFFAOYSA-N 1 3 371.529 2.504 20 30 FFEDHO N#C[C@@H]1CCC[C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000248866326 509518508 /nfs/dbraw/zinc/51/85/08/509518508.db2.gz QDHPXDNABPLHJX-UXPWSPDFSA-N 1 3 354.498 2.556 20 30 FFEDHO N#C[C@@H]1CCC[C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000248866326 509518516 /nfs/dbraw/zinc/51/85/16/509518516.db2.gz QDHPXDNABPLHJX-UXPWSPDFSA-N 1 3 354.498 2.556 20 30 FFEDHO Cc1c(C#N)cccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000186718669 509870380 /nfs/dbraw/zinc/87/03/80/509870380.db2.gz BUCHZKIJGGEVIA-UHFFFAOYSA-N 1 3 355.486 2.547 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000171734087 510337801 /nfs/dbraw/zinc/33/78/01/510337801.db2.gz CJYIBLVSDLZJEG-HXUWFJFHSA-N 1 3 370.541 2.501 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000171734087 510337808 /nfs/dbraw/zinc/33/78/08/510337808.db2.gz CJYIBLVSDLZJEG-HXUWFJFHSA-N 1 3 370.541 2.501 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000171741192 510340859 /nfs/dbraw/zinc/34/08/59/510340859.db2.gz GYDUSGWKZIADAM-IBGZPJMESA-N 1 3 362.562 2.934 20 30 FFEDHO CN1CC[C@]2(CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233838 511515396 /nfs/dbraw/zinc/51/53/96/511515396.db2.gz WAENFDBCRVRCEW-FQEVSTJZSA-N 1 3 372.538 2.855 20 30 FFEDHO CN1CC[C@]2(CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)C1 ZINC000292233838 511515400 /nfs/dbraw/zinc/51/54/00/511515400.db2.gz WAENFDBCRVRCEW-FQEVSTJZSA-N 1 3 372.538 2.855 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374318388 512763135 /nfs/dbraw/zinc/76/31/35/512763135.db2.gz QQNNJWZGWPSOOH-WIYYLYMNSA-N 1 3 354.542 2.946 20 30 FFEDHO C#CCCN1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000372326916 512816689 /nfs/dbraw/zinc/81/66/89/512816689.db2.gz PUJDICOKEMKZKN-UHFFFAOYSA-N 1 3 367.537 2.893 20 30 FFEDHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000415936005 513488210 /nfs/dbraw/zinc/48/82/10/513488210.db2.gz UUCNGEQFFOSSIM-UHFFFAOYSA-N 1 3 365.481 2.873 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C(C)C ZINC000417074287 514155239 /nfs/dbraw/zinc/15/52/39/514155239.db2.gz ZABUFZKYKZYTQP-VQTJNVASSA-N 1 3 362.562 2.859 20 30 FFEDHO C=CCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000415118975 514451476 /nfs/dbraw/zinc/45/14/76/514451476.db2.gz DXAUJUMOKULIFC-ICSRJNTNSA-N 1 3 360.498 2.978 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000489275126 514778527 /nfs/dbraw/zinc/77/85/27/514778527.db2.gz GROPRICQRZFKEH-CEXWTWQISA-N 1 3 350.551 2.857 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000489275129 514778674 /nfs/dbraw/zinc/77/86/74/514778674.db2.gz GROPRICQRZFKEH-IPMKNSEASA-N 1 3 350.551 2.857 20 30 FFEDHO CN(CCNC(=O)C1CC[NH+](CCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000540665352 516657758 /nfs/dbraw/zinc/65/77/58/516657758.db2.gz ZLIDQXZFPRPBEB-UHFFFAOYSA-N 1 3 370.541 2.886 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000594443100 519968894 /nfs/dbraw/zinc/96/88/94/519968894.db2.gz LIJVJNYEIRRZCS-HKBOAZHASA-N 1 3 368.525 2.911 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594443100 519968900 /nfs/dbraw/zinc/96/89/00/519968900.db2.gz LIJVJNYEIRRZCS-HKBOAZHASA-N 1 3 368.525 2.911 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000592352051 520345565 /nfs/dbraw/zinc/34/55/65/520345565.db2.gz UNXWERMYCGCTKZ-UHFFFAOYSA-N 1 3 350.551 2.789 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000592352051 520345567 /nfs/dbraw/zinc/34/55/67/520345567.db2.gz UNXWERMYCGCTKZ-UHFFFAOYSA-N 1 3 350.551 2.789 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC(C[N@@H+](C)CCCC)CC2)CC1 ZINC000592526821 520441527 /nfs/dbraw/zinc/44/15/27/520441527.db2.gz JGOJXSLRLDNSEF-UHFFFAOYSA-N 1 3 350.551 2.790 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC(C[N@H+](C)CCCC)CC2)CC1 ZINC000592526821 520441533 /nfs/dbraw/zinc/44/15/33/520441533.db2.gz JGOJXSLRLDNSEF-UHFFFAOYSA-N 1 3 350.551 2.790 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C(C)C ZINC000601255766 520710315 /nfs/dbraw/zinc/71/03/15/520710315.db2.gz QUYNLRFWZXAPEA-RTBURBONSA-N 1 3 350.551 2.857 20 30 FFEDHO Cc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1C#N ZINC000599295692 521133246 /nfs/dbraw/zinc/13/32/46/521133246.db2.gz BZMVRWIKRIIFBC-UHFFFAOYSA-N 1 3 370.541 2.783 20 30 FFEDHO N#Cc1cccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000602523016 521395269 /nfs/dbraw/zinc/39/52/69/521395269.db2.gz YICZEHGINNLZHO-UHFFFAOYSA-N 1 3 363.509 2.641 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000602540076 521402777 /nfs/dbraw/zinc/40/27/77/521402777.db2.gz VOYAXFGEWJSXNK-GOSISDBHSA-N 1 3 359.514 2.858 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000619877152 521915030 /nfs/dbraw/zinc/91/50/30/521915030.db2.gz FNFUBJZVAASALO-GOSISDBHSA-N 1 3 356.514 2.713 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000619877152 521915033 /nfs/dbraw/zinc/91/50/33/521915033.db2.gz FNFUBJZVAASALO-GOSISDBHSA-N 1 3 356.514 2.713 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000876758741 732277881 /nfs/dbraw/zinc/27/78/81/732277881.db2.gz MEKDIBCBLKTZMT-UYAOXDASSA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876758741 732277883 /nfs/dbraw/zinc/27/78/83/732277883.db2.gz MEKDIBCBLKTZMT-UYAOXDASSA-N 1 3 361.917 2.971 20 30 FFEDHO C=CC[C@@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC[NH2+]1 ZINC000662706052 732347750 /nfs/dbraw/zinc/34/77/50/732347750.db2.gz UEPZGGIJZNPUKI-FQEVSTJZSA-N 1 3 359.539 2.915 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001104896118 971113475 /nfs/dbraw/zinc/11/34/75/971113475.db2.gz KRXUITUGPSSODH-DNVCBOLYSA-N 1 3 367.965 2.935 20 30 FFEDHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001104362674 964082352 /nfs/dbraw/zinc/08/23/52/964082352.db2.gz CVIWEWIPJJRPCR-YLJYHZDGSA-N 1 3 370.541 2.863 20 30 FFEDHO CC1(C)[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000262514435 974049844 /nfs/dbraw/zinc/04/98/44/974049844.db2.gz FOASRCCZPKUKDL-AQNXPRMDSA-N 1 3 370.541 2.759 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674494 974905630 /nfs/dbraw/zinc/90/56/30/974905630.db2.gz FGIZMKHGAPOIMV-HLAWJBBLSA-N 1 3 355.526 2.879 20 30 FFEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529824 975365296 /nfs/dbraw/zinc/36/52/96/975365296.db2.gz QVLFHEQKNDEUEC-YYWHXJBOSA-N 1 3 365.537 2.993 20 30 FFEDHO C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](N2CCCCC2)C1 ZINC000262798848 979933481 /nfs/dbraw/zinc/93/34/81/979933481.db2.gz QLRXYDWPFQJKSJ-ROUUACIJSA-N 1 3 356.514 2.688 20 30 FFEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000668368980 980199489 /nfs/dbraw/zinc/19/94/89/980199489.db2.gz LMEWSUJKHYNBIZ-FQEVSTJZSA-N 1 3 355.526 2.708 20 30 FFEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000668368980 980199494 /nfs/dbraw/zinc/19/94/94/980199494.db2.gz LMEWSUJKHYNBIZ-FQEVSTJZSA-N 1 3 355.526 2.708 20 30 FFEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549546 984667417 /nfs/dbraw/zinc/66/74/17/984667417.db2.gz AUXCXESQVDTTCM-NSISKUIASA-N 1 3 351.510 2.746 20 30 FFEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549546 984667418 /nfs/dbraw/zinc/66/74/18/984667418.db2.gz AUXCXESQVDTTCM-NSISKUIASA-N 1 3 351.510 2.746 20 30 FFEDHO C=CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050067 992274086 /nfs/dbraw/zinc/27/40/86/992274086.db2.gz NEDYGXXGWWDJCR-AABGKKOBSA-N 1 3 355.526 2.735 20 30 FFEDHO C=CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050067 992274095 /nfs/dbraw/zinc/27/40/95/992274095.db2.gz NEDYGXXGWWDJCR-AABGKKOBSA-N 1 3 355.526 2.735 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001131515493 994344807 /nfs/dbraw/zinc/34/48/07/994344807.db2.gz NPIFCKGMIFJPNB-AABGKKOBSA-N 1 3 365.562 2.525 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001131522346 994363296 /nfs/dbraw/zinc/36/32/96/994363296.db2.gz CVQBMJGWSWYCAW-MOPGFXCFSA-N 1 3 365.562 2.669 20 30 FFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001131597019 994445440 /nfs/dbraw/zinc/44/54/40/994445440.db2.gz GWSQYWZEZFJXMZ-DSKINZAPSA-N 1 3 365.562 2.669 20 30 FFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086205194 999806682 /nfs/dbraw/zinc/80/66/82/999806682.db2.gz FHTQEIPRDZENNS-LULLPPNCSA-N 1 3 361.917 2.569 20 30 FFEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001086205194 999806684 /nfs/dbraw/zinc/80/66/84/999806684.db2.gz FHTQEIPRDZENNS-LULLPPNCSA-N 1 3 361.917 2.569 20 30 FFEDHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1 ZINC001112567309 1001497986 /nfs/dbraw/zinc/49/79/86/1001497986.db2.gz HVJZOIYVWUFREJ-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO C=CCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OC ZINC001201417376 1005212020 /nfs/dbraw/zinc/21/20/20/1005212020.db2.gz WTSQQXIGZUZYSC-OALUTQOASA-N 1 3 360.498 2.727 20 30 FFEDHO C[C@H](C[NH+]=C(Nc1ccccc1)N1CCCCC1)CN1CCN(C)CC1 ZINC000303870242 1012476698 /nfs/dbraw/zinc/47/66/98/1012476698.db2.gz FHFUHCQYIIHYEH-LJQANCHMSA-N 1 3 357.546 2.824 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCO[C@@H]1CCCc2ccccc21 ZINC000304761329 1012871281 /nfs/dbraw/zinc/87/12/81/1012871281.db2.gz UHGJBSKKMPRMLX-AZUAARDMSA-N 1 3 358.530 2.859 20 30 FFEDHO C=C(CC[NH+](C)C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000900176544 1020235987 /nfs/dbraw/zinc/23/59/87/1020235987.db2.gz BJRHNXRFJWNLHK-UHFFFAOYSA-N 1 3 372.557 2.521 20 30 FFEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218362796 1033123703 /nfs/dbraw/zinc/12/37/03/1033123703.db2.gz DKOWTCQMBJCLFO-VQTJNVASSA-N 1 3 363.546 2.519 20 30 FFEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC001218362796 1033123712 /nfs/dbraw/zinc/12/37/12/1033123712.db2.gz DKOWTCQMBJCLFO-VQTJNVASSA-N 1 3 363.546 2.519 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001122631285 1023379738 /nfs/dbraw/zinc/37/97/38/1023379738.db2.gz PMDMYVNKHLBLOY-OALUTQOASA-N 1 3 374.577 2.832 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121495121 1023810074 /nfs/dbraw/zinc/81/00/74/1023810074.db2.gz CELGLPPTEQQBMJ-OALUTQOASA-N 1 3 372.561 2.586 20 30 FFEDHO N#Cc1c(NC(=O)[C@@H]2C[C@@H](c3ccccc3)CC[NH2+]2)sc2c1CCNC2 ZINC001218551940 1033216492 /nfs/dbraw/zinc/21/64/92/1033216492.db2.gz DAYDGOBGYRADNW-YOEHRIQHSA-N 1 3 366.490 2.740 20 30 FFEDHO C#CCNC(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000839475643 1026694127 /nfs/dbraw/zinc/69/41/27/1026694127.db2.gz CMZWMUHKJMHJDV-UHFFFAOYSA-N 1 3 353.510 2.634 20 30 FFEDHO C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987439 1026859680 /nfs/dbraw/zinc/85/96/80/1026859680.db2.gz CEKHLXXJHPFOML-RTBURBONSA-N 1 3 365.562 2.528 20 30 FFEDHO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987439 1026859685 /nfs/dbraw/zinc/85/96/85/1026859685.db2.gz CEKHLXXJHPFOML-RTBURBONSA-N 1 3 365.562 2.528 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248460956 1027642723 /nfs/dbraw/zinc/64/27/23/1027642723.db2.gz WXMVQDSDOIWTQD-LAUBAEHRSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248460956 1027642732 /nfs/dbraw/zinc/64/27/32/1027642732.db2.gz WXMVQDSDOIWTQD-LAUBAEHRSA-N 1 3 365.477 2.834 20 30 FFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001161153006 1028038480 /nfs/dbraw/zinc/03/84/80/1028038480.db2.gz WUQYMJQUUGWDRO-NRFANRHFSA-N 1 3 355.526 2.772 20 30 FFEDHO C#CC[C@@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000829779425 1033332944 /nfs/dbraw/zinc/33/29/44/1033332944.db2.gz UNCNGKHZPPYKQI-HXUWFJFHSA-N 1 3 367.537 2.811 20 30 FFEDHO C#CC[C@H]1CCCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000829799125 1033344343 /nfs/dbraw/zinc/34/43/43/1033344343.db2.gz KLXYHNFFLCQCLH-UXHICEINSA-N 1 3 367.537 2.891 20 30 FFEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001218945647 1033419352 /nfs/dbraw/zinc/41/93/52/1033419352.db2.gz ZNIDEANOJPJEOH-SFHVURJKSA-N 1 3 357.502 2.546 20 30 FFEDHO C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(CN(C)C)c3)[C@H]2C1 ZINC001219052058 1033490703 /nfs/dbraw/zinc/49/07/03/1033490703.db2.gz CLPQHEWEIUSMFN-DZFGPLHGSA-N 1 3 371.525 2.628 20 30 FFEDHO C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(CN(C)C)c3)[C@H]2C1 ZINC001219052058 1033490708 /nfs/dbraw/zinc/49/07/08/1033490708.db2.gz CLPQHEWEIUSMFN-DZFGPLHGSA-N 1 3 371.525 2.628 20 30 FFEDHO C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)[C@H](C)S ZINC001227166025 1034957782 /nfs/dbraw/zinc/95/77/82/1034957782.db2.gz VLTOMAUPHSXDCU-CABCVRRESA-N 1 3 353.576 2.957 20 30 FFEDHO N#Cc1cccc2c(CN3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001139701734 1035202115 /nfs/dbraw/zinc/20/21/15/1035202115.db2.gz PSCWUSIYULKKSK-KDURUIRLSA-N 1 3 357.461 2.998 20 30 FFEDHO N#Cc1cccc2c(CN3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001139701734 1035202119 /nfs/dbraw/zinc/20/21/19/1035202119.db2.gz PSCWUSIYULKKSK-KDURUIRLSA-N 1 3 357.461 2.998 20 30 FFEDHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001230279451 1037188782 /nfs/dbraw/zinc/18/87/82/1037188782.db2.gz BNOXTZAXGQHYNS-RTBURBONSA-N 1 3 360.477 2.555 20 30 FFEDHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001255953020 1038270103 /nfs/dbraw/zinc/27/01/03/1038270103.db2.gz HSGYVUPAFVKNQS-QGZVFWFLSA-N 1 3 356.514 2.873 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475505 1043157934 /nfs/dbraw/zinc/15/79/34/1043157934.db2.gz ZHWQHOULSQHQHB-SVFBPWRDSA-N 1 3 356.514 2.610 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475505 1043157936 /nfs/dbraw/zinc/15/79/36/1043157936.db2.gz ZHWQHOULSQHQHB-SVFBPWRDSA-N 1 3 356.514 2.610 20 30 FFEDHO N#CC1(NC(=O)[C@H]2CC23CC[NH+](CCCN2CCCCC2)CC3)CCC1 ZINC001279843901 1043761569 /nfs/dbraw/zinc/76/15/69/1043761569.db2.gz NAPIXEZFPCQQBX-GOSISDBHSA-N 1 3 358.530 2.527 20 30 FFEDHO CC(C)OCC[NH+]1CCC2(CCCN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001280083815 1044185176 /nfs/dbraw/zinc/18/51/76/1044185176.db2.gz WIWYSENRCIULNX-UHFFFAOYSA-N 1 3 358.530 3.000 20 30 FFEDHO CCC#C[C@@H](C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001307508333 1052315092 /nfs/dbraw/zinc/31/50/92/1052315092.db2.gz TZCIUPCZXSYAAQ-LJQANCHMSA-N 1 3 355.526 2.749 20 30 FFEDHO C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001574921856 1078093207 /nfs/dbraw/zinc/09/32/07/1078093207.db2.gz LONDINNBKYGJFN-KURKYZTESA-N 1 3 360.550 2.978 20 30 FFEDHO C[NH+]1CCC2(CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC001473704608 1065323225 /nfs/dbraw/zinc/32/32/25/1065323225.db2.gz RFKVNPLQYWPQII-FQEVSTJZSA-N 1 3 366.509 2.861 20 30 FFEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083033758 508234223 /nfs/dbraw/zinc/23/42/23/508234223.db2.gz XFRABQIBZXZLIH-GOSISDBHSA-N 1 3 368.481 2.555 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000143024893 508827771 /nfs/dbraw/zinc/82/77/71/508827771.db2.gz MYMPIJYWPNIZOK-OAQYLSRUSA-N 1 3 353.510 2.593 20 30 FFEDHO C[C@@H](NC(=[NH2+])NCCN1CCCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000264074492 509317231 /nfs/dbraw/zinc/31/72/31/509317231.db2.gz FERYLIQUFQYPAV-CYBMUJFWSA-N 1 3 372.344 2.596 20 30 FFEDHO C=CCN1CCC(NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000264464054 509544047 /nfs/dbraw/zinc/54/40/47/509544047.db2.gz GVXSHJOADIDAFM-UHFFFAOYSA-N 1 3 359.514 2.787 20 30 FFEDHO C=CCc1ccccc1OC[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080542 509770928 /nfs/dbraw/zinc/77/09/28/509770928.db2.gz SLYDKKUGUVCBEK-OAQYLSRUSA-N 1 3 358.526 2.963 20 30 FFEDHO C#Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000290565029 511146179 /nfs/dbraw/zinc/14/61/79/511146179.db2.gz ZXJCDMUQXOAWII-QFIPXVFZSA-N 1 3 361.489 2.655 20 30 FFEDHO C#Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000290565029 511146183 /nfs/dbraw/zinc/14/61/83/511146183.db2.gz ZXJCDMUQXOAWII-QFIPXVFZSA-N 1 3 361.489 2.655 20 30 FFEDHO CN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000328843744 511940485 /nfs/dbraw/zinc/94/04/85/511940485.db2.gz WKWZKHAPKQDDHF-QZTJIDSGSA-N 1 3 364.534 2.894 20 30 FFEDHO C[C@@H]1N(CC#CC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000367461506 512510894 /nfs/dbraw/zinc/51/08/94/512510894.db2.gz AGWZLQJFBPMNII-PMACEKPBSA-N 1 3 360.542 2.772 20 30 FFEDHO C[C@@H]1N(CC#CC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000367461506 512510901 /nfs/dbraw/zinc/51/09/01/512510901.db2.gz AGWZLQJFBPMNII-PMACEKPBSA-N 1 3 360.542 2.772 20 30 FFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)c(OC)c3)CC2)CC1 ZINC000421376469 513242177 /nfs/dbraw/zinc/24/21/77/513242177.db2.gz QKVGVZVCAOZYMQ-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)C(C)C ZINC000420894695 514359149 /nfs/dbraw/zinc/35/91/49/514359149.db2.gz GQNPDSNDWLCHBM-ACBHZAAOSA-N 1 3 350.551 2.857 20 30 FFEDHO N#CC(CCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000433349969 514466761 /nfs/dbraw/zinc/46/67/61/514466761.db2.gz DJHKCZZPVXAOBV-HXUWFJFHSA-N 1 3 369.509 2.910 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462036907 514844242 /nfs/dbraw/zinc/84/42/42/514844242.db2.gz HUVUYDHMNZZKFY-FXAWDEMLSA-N 1 3 356.514 2.536 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462036907 514844249 /nfs/dbraw/zinc/84/42/49/514844249.db2.gz HUVUYDHMNZZKFY-FXAWDEMLSA-N 1 3 356.514 2.536 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000517998044 516516122 /nfs/dbraw/zinc/51/61/22/516516122.db2.gz VTGBBDVKBIWLHK-FQEVSTJZSA-N 1 3 356.514 2.601 20 30 FFEDHO N#CCCCOc1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000531758848 516625827 /nfs/dbraw/zinc/62/58/27/516625827.db2.gz SJLXJZXULFNTLT-RTWAWAEBSA-N 1 3 357.498 2.837 20 30 FFEDHO COc1ccc([C@@H](C[NH3+])CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000530234072 517643482 /nfs/dbraw/zinc/64/34/82/517643482.db2.gz MHQGMSRBSDPXNR-IBGZPJMESA-N 1 3 365.477 2.905 20 30 FFEDHO COc1ccc([C@@H](CN)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000530234072 517643489 /nfs/dbraw/zinc/64/34/89/517643489.db2.gz MHQGMSRBSDPXNR-IBGZPJMESA-N 1 3 365.477 2.905 20 30 FFEDHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000577485049 519104786 /nfs/dbraw/zinc/10/47/86/519104786.db2.gz OXTAJFQRSKTOHL-FQEVSTJZSA-N 1 3 353.466 2.539 20 30 FFEDHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000577485049 519104791 /nfs/dbraw/zinc/10/47/91/519104791.db2.gz OXTAJFQRSKTOHL-FQEVSTJZSA-N 1 3 353.466 2.539 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(C)C ZINC000591561211 519951322 /nfs/dbraw/zinc/95/13/22/519951322.db2.gz SDMMAYSVHZNZSB-PMACEKPBSA-N 1 3 362.562 2.955 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(C)C ZINC000591561214 519952274 /nfs/dbraw/zinc/95/22/74/519952274.db2.gz SDMMAYSVHZNZSB-WOJBJXKFSA-N 1 3 362.562 2.955 20 30 FFEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H](N)CCCCC#N ZINC000594436640 519964639 /nfs/dbraw/zinc/96/46/39/519964639.db2.gz FDRPALFCZZYEDS-LMMKCTJWSA-N 1 3 356.514 2.670 20 30 FFEDHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)C1 ZINC000594439736 519967038 /nfs/dbraw/zinc/96/70/38/519967038.db2.gz UYOJOPFPLFKDMJ-APWZRJJASA-N 1 3 358.486 2.757 20 30 FFEDHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)C1 ZINC000594439736 519967047 /nfs/dbraw/zinc/96/70/47/519967047.db2.gz UYOJOPFPLFKDMJ-APWZRJJASA-N 1 3 358.486 2.757 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CSc1ccccc1OC ZINC000303975272 729736114 /nfs/dbraw/zinc/73/61/14/729736114.db2.gz IZZKZAWKOVNLOQ-HZPDHXFCSA-N 1 3 364.559 2.812 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccc(C#N)s2)CC[N@@H+]1C ZINC001087168077 964806087 /nfs/dbraw/zinc/80/60/87/964806087.db2.gz RDEGOTOSVFXIAA-OAFZBRQQSA-N 1 3 374.554 2.677 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2ccc(C#N)s2)CC[N@H+]1C ZINC001087168077 964806093 /nfs/dbraw/zinc/80/60/93/964806093.db2.gz RDEGOTOSVFXIAA-OAFZBRQQSA-N 1 3 374.554 2.677 20 30 FFEDHO CC[NH+]=C(NCCN1CCCCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261956226 964996760 /nfs/dbraw/zinc/99/67/60/964996760.db2.gz IVHVGVIRAGEMLU-OALUTQOASA-N 1 3 360.550 2.608 20 30 FFEDHO C=CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087469004 965285490 /nfs/dbraw/zinc/28/54/90/965285490.db2.gz CWAYLCXGKRDYDI-WOJBJXKFSA-N 1 3 371.500 2.772 20 30 FFEDHO C=CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087469697 965303748 /nfs/dbraw/zinc/30/37/48/965303748.db2.gz RSGFZHXCPMPEAR-DFQSSKMNSA-N 1 3 359.489 2.628 20 30 FFEDHO C=CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087469697 965303758 /nfs/dbraw/zinc/30/37/58/965303758.db2.gz RSGFZHXCPMPEAR-DFQSSKMNSA-N 1 3 359.489 2.628 20 30 FFEDHO C=CCc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(OC)c1O ZINC000650723020 967602636 /nfs/dbraw/zinc/60/26/36/967602636.db2.gz GIJJOYKSOGFGHA-IPMKNSEASA-N 1 3 360.498 2.990 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1c1ccccc1 ZINC001211598874 967726378 /nfs/dbraw/zinc/72/63/78/967726378.db2.gz MMEIBSCHDFHXAP-LEWJYISDSA-N 1 3 367.537 2.858 20 30 FFEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCc2ccccc21 ZINC000262394449 968092203 /nfs/dbraw/zinc/09/22/03/968092203.db2.gz MRZKSCATQBQMOY-UHFFFAOYSA-N 1 3 356.514 2.660 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1c1ccccc1 ZINC001211684385 975181726 /nfs/dbraw/zinc/18/17/26/975181726.db2.gz VHAHZAXWOLHQEO-BDTNDASRSA-N 1 3 367.537 2.857 20 30 FFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244381 979278365 /nfs/dbraw/zinc/27/83/65/979278365.db2.gz PZUZDUQMPWZKAM-SQGPQFPESA-N 1 3 351.510 2.698 20 30 FFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244381 979278370 /nfs/dbraw/zinc/27/83/70/979278370.db2.gz PZUZDUQMPWZKAM-SQGPQFPESA-N 1 3 351.510 2.698 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)[C@@H]2C)CC1 ZINC001089059229 986140316 /nfs/dbraw/zinc/14/03/16/986140316.db2.gz FIYCTNSXZLHUTF-NQIIRXRSSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)[C@@H]2C)CC1 ZINC001089059229 986140320 /nfs/dbraw/zinc/14/03/20/986140320.db2.gz FIYCTNSXZLHUTF-NQIIRXRSSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]2C)CC1 ZINC001080997384 993547707 /nfs/dbraw/zinc/54/77/07/993547707.db2.gz BDSBWMBEOSXBJW-VUMZAAJDSA-N 1 3 359.558 2.594 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]2C)CC1 ZINC001080997384 993547711 /nfs/dbraw/zinc/54/77/11/993547711.db2.gz BDSBWMBEOSXBJW-VUMZAAJDSA-N 1 3 359.558 2.594 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]2C)CC1 ZINC001080997579 993548168 /nfs/dbraw/zinc/54/81/68/993548168.db2.gz FUVVWDUCSZDPEZ-WIYYLYMNSA-N 1 3 357.542 2.659 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2C)CC1 ZINC001080997579 993548173 /nfs/dbraw/zinc/54/81/73/993548173.db2.gz FUVVWDUCSZDPEZ-WIYYLYMNSA-N 1 3 357.542 2.659 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCCC2)CC1 ZINC001085432867 999517503 /nfs/dbraw/zinc/51/75/03/999517503.db2.gz UFFVFQLISRUSMH-NHCUHLMSSA-N 1 3 359.558 2.929 20 30 FFEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086849322 1001174008 /nfs/dbraw/zinc/17/40/08/1001174008.db2.gz AZRBQOSVVVPBPK-FUHWJXTLSA-N 1 3 353.938 2.735 20 30 FFEDHO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013315 1002286030 /nfs/dbraw/zinc/28/60/30/1002286030.db2.gz MYIXMQROHFUKDD-LSTHTHJFSA-N 1 3 351.510 2.555 20 30 FFEDHO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013315 1002286034 /nfs/dbraw/zinc/28/60/34/1002286034.db2.gz MYIXMQROHFUKDD-LSTHTHJFSA-N 1 3 351.510 2.555 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086591765 1002533837 /nfs/dbraw/zinc/53/38/37/1002533837.db2.gz DZSYTFOQOZIVLN-FDFHNCONSA-N 1 3 367.537 2.572 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086591765 1002533845 /nfs/dbraw/zinc/53/38/45/1002533845.db2.gz DZSYTFOQOZIVLN-FDFHNCONSA-N 1 3 367.537 2.572 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604838 1003215446 /nfs/dbraw/zinc/21/54/46/1003215446.db2.gz PPSDLXDVLCCANG-DUXKGJEZSA-N 1 3 368.525 2.615 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604838 1003215455 /nfs/dbraw/zinc/21/54/55/1003215455.db2.gz PPSDLXDVLCCANG-DUXKGJEZSA-N 1 3 368.525 2.615 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC000807858790 1004701698 /nfs/dbraw/zinc/70/16/98/1004701698.db2.gz OIBOXYKAJZTLFX-JOCHJYFZSA-N 1 3 369.553 2.949 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199128026 1004837229 /nfs/dbraw/zinc/83/72/29/1004837229.db2.gz MGKSMQQUPUJTOW-VAMGGRTRSA-N 1 3 367.578 2.629 20 30 FFEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001194996374 1004867266 /nfs/dbraw/zinc/86/72/66/1004867266.db2.gz AYWISLVJQLRLCJ-WOJBJXKFSA-N 1 3 365.562 2.549 20 30 FFEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194996374 1004867269 /nfs/dbraw/zinc/86/72/69/1004867269.db2.gz AYWISLVJQLRLCJ-WOJBJXKFSA-N 1 3 365.562 2.549 20 30 FFEDHO C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)N1CCCC1 ZINC001180586365 1009761721 /nfs/dbraw/zinc/76/17/21/1009761721.db2.gz QOLZWMKMZPWQRF-VDGAXYAQSA-N 1 3 354.498 2.641 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(C)cc2)n1 ZINC000104190944 1009935278 /nfs/dbraw/zinc/93/52/78/1009935278.db2.gz QYZYJYCMSHKONI-SFHVURJKSA-N 1 3 355.486 2.581 20 30 FFEDHO CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865536199 1010808417 /nfs/dbraw/zinc/80/84/17/1010808417.db2.gz YDEVDPSUEQUAMQ-INIZCTEOSA-N 1 3 367.419 2.577 20 30 FFEDHO CCN1CCN(Cc2ccc(CNC(=[NH2+])NC3CCCCC3)cc2)CC1 ZINC000303886234 1012501808 /nfs/dbraw/zinc/50/18/08/1012501808.db2.gz KEJCQUWKXABDMI-UHFFFAOYSA-N 1 3 357.546 2.561 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCc2ccccn2)c1 ZINC000303904011 1012513513 /nfs/dbraw/zinc/51/35/13/1012513513.db2.gz UQFQJKQKKOUHIK-IBGZPJMESA-N 1 3 367.497 2.549 20 30 FFEDHO C=C(CC[NH+](C)C)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000901156361 1018774912 /nfs/dbraw/zinc/77/49/12/1018774912.db2.gz WQKOZEQHTSVQOP-IBGZPJMESA-N 1 3 367.497 2.777 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2=CCCCC2)CC1 ZINC001098462973 1020931115 /nfs/dbraw/zinc/93/11/15/1020931115.db2.gz XDTJFKPMYNLSCR-VSKRKVRLSA-N 1 3 369.553 2.944 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2=CCCCC2)CC1 ZINC001098462973 1020931120 /nfs/dbraw/zinc/93/11/20/1020931120.db2.gz XDTJFKPMYNLSCR-VSKRKVRLSA-N 1 3 369.553 2.944 20 30 FFEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098837446 1021217878 /nfs/dbraw/zinc/21/78/78/1021217878.db2.gz QFUXHEXVDAQSNQ-IPJJNNNSSA-N 1 3 357.542 2.635 20 30 FFEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098837446 1021217892 /nfs/dbraw/zinc/21/78/92/1021217892.db2.gz QFUXHEXVDAQSNQ-IPJJNNNSSA-N 1 3 357.542 2.635 20 30 FFEDHO CC[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)N(C)C ZINC001103140014 1026995811 /nfs/dbraw/zinc/99/58/11/1026995811.db2.gz IYASNRLIBVZGGG-IIDMSEBBSA-N 1 3 362.543 2.534 20 30 FFEDHO CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)N(C)C ZINC001103140014 1026995816 /nfs/dbraw/zinc/99/58/16/1026995816.db2.gz IYASNRLIBVZGGG-IIDMSEBBSA-N 1 3 362.543 2.534 20 30 FFEDHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C[N@@H+]2C1 ZINC001141817179 1027009031 /nfs/dbraw/zinc/00/90/31/1027009031.db2.gz KCNSWIKWNOIIRW-UIFIKXQLSA-N 1 3 368.525 2.569 20 30 FFEDHO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C[N@H+]2C1 ZINC001141817179 1027009041 /nfs/dbraw/zinc/00/90/41/1027009041.db2.gz KCNSWIKWNOIIRW-UIFIKXQLSA-N 1 3 368.525 2.569 20 30 FFEDHO N#Cc1cccc(-c2cc(C(F)(F)N[C@@H](N)CCC[NH3+])cnc2Cl)c1 ZINC001159789997 1027498721 /nfs/dbraw/zinc/49/87/21/1027498721.db2.gz ZLULCCYADYWYSK-OAHLLOKOSA-N 1 3 365.815 2.936 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655123 1027898390 /nfs/dbraw/zinc/89/83/90/1027898390.db2.gz QHGPLQBPFAPMMM-UYAOXDASSA-N 1 3 370.541 2.864 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CC/C=C\CC)C[C@H]2C)CC1 ZINC001103751667 1028135526 /nfs/dbraw/zinc/13/55/26/1028135526.db2.gz LTBZVNWVJHIMHQ-RTVDBWQISA-N 1 3 359.558 2.762 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC/C=C\CC)C[C@H]2C)CC1 ZINC001103751667 1028135533 /nfs/dbraw/zinc/13/55/33/1028135533.db2.gz LTBZVNWVJHIMHQ-RTVDBWQISA-N 1 3 359.558 2.762 20 30 FFEDHO CC(C)[N@@H+]1CC[C@H](Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001163373181 1028909617 /nfs/dbraw/zinc/90/96/17/1028909617.db2.gz YKSPXERZCQTCCS-PMPSAXMXSA-N 1 3 373.501 2.956 20 30 FFEDHO CC(C)[N@H+]1CC[C@H](Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001163373181 1028909626 /nfs/dbraw/zinc/90/96/26/1028909626.db2.gz YKSPXERZCQTCCS-PMPSAXMXSA-N 1 3 373.501 2.956 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cccc(F)c1 ZINC001205436977 1031745661 /nfs/dbraw/zinc/74/56/61/1031745661.db2.gz UUALKUSDBRZJCD-RBUKOAKNSA-N 1 3 361.505 2.874 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001226323161 1034629619 /nfs/dbraw/zinc/62/96/19/1034629619.db2.gz HUZUIVMSYTWDNH-QYRPDUKASA-N 1 3 371.500 2.534 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001226323161 1034629627 /nfs/dbraw/zinc/62/96/27/1034629627.db2.gz HUZUIVMSYTWDNH-QYRPDUKASA-N 1 3 371.500 2.534 20 30 FFEDHO C=CCN1C(=O)CCC12CCN(Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC001138770454 1034637451 /nfs/dbraw/zinc/63/74/51/1034637451.db2.gz GDQQVASNEFVDJA-UHFFFAOYSA-N 1 3 371.525 2.770 20 30 FFEDHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001226783384 1034838187 /nfs/dbraw/zinc/83/81/87/1034838187.db2.gz YPCLENWRNFMNJK-RTBURBONSA-N 1 3 354.498 2.560 20 30 FFEDHO N#Cc1cccc2c(CN3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c[nH]c21 ZINC001139701742 1035201952 /nfs/dbraw/zinc/20/19/52/1035201952.db2.gz PSCWUSIYULKKSK-RTBURBONSA-N 1 3 357.461 2.998 20 30 FFEDHO N#Cc1ccc2c(c1)CN(CC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001254034543 1040534354 /nfs/dbraw/zinc/53/43/54/1040534354.db2.gz MCFVSXRRSRHYJC-UHFFFAOYSA-N 1 3 361.489 2.943 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593411 1040701603 /nfs/dbraw/zinc/70/16/03/1040701603.db2.gz YMOYZBJDZUQCPY-AQNXPRMDSA-N 1 3 367.578 2.915 20 30 FFEDHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cccc(C#N)c3F)C2)C1 ZINC001279762829 1043604552 /nfs/dbraw/zinc/60/45/52/1043604552.db2.gz WHAIWGSTHWFXJZ-OAQYLSRUSA-N 1 3 358.505 2.937 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001321742373 1045782481 /nfs/dbraw/zinc/78/24/81/1045782481.db2.gz DTMMSUSHJFXKRF-PMACEKPBSA-N 1 3 371.529 2.504 20 30 FFEDHO N#CC1(c2ccccc2)CC(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC001330320005 1049131295 /nfs/dbraw/zinc/13/12/95/1049131295.db2.gz TWZBWYQIEIFZQU-KOENEWCDSA-N 1 3 361.489 2.967 20 30 FFEDHO N#CC1(c2ccccc2)CC(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC001330320005 1049131299 /nfs/dbraw/zinc/13/12/99/1049131299.db2.gz TWZBWYQIEIFZQU-KOENEWCDSA-N 1 3 361.489 2.967 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001336780691 1054219899 /nfs/dbraw/zinc/21/98/99/1054219899.db2.gz OGFBBTLJDOZFOD-QGZVFWFLSA-N 1 3 356.388 2.696 20 30 FFEDHO CC#CCNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001500059835 1058433874 /nfs/dbraw/zinc/43/38/74/1058433874.db2.gz ITTIJQGMDCUEEL-YHYVQYDKSA-N 1 3 363.505 2.950 20 30 FFEDHO CC#CCNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC001500059835 1058433879 /nfs/dbraw/zinc/43/38/79/1058433879.db2.gz ITTIJQGMDCUEEL-YHYVQYDKSA-N 1 3 363.505 2.950 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000067360708 506843000 /nfs/dbraw/zinc/84/30/00/506843000.db2.gz YSRNBESCDIAZQS-NRFANRHFSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000067360708 506843003 /nfs/dbraw/zinc/84/30/03/506843003.db2.gz YSRNBESCDIAZQS-NRFANRHFSA-N 1 3 353.510 2.503 20 30 FFEDHO N#C[C@H]1CCC[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000185824863 509373450 /nfs/dbraw/zinc/37/34/50/509373450.db2.gz QDHPXDNABPLHJX-FFZOFVMBSA-N 1 3 354.498 2.556 20 30 FFEDHO N#C[C@H]1CCC[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000185824863 509373459 /nfs/dbraw/zinc/37/34/59/509373459.db2.gz QDHPXDNABPLHJX-FFZOFVMBSA-N 1 3 354.498 2.556 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)CC1 ZINC000264342382 509468903 /nfs/dbraw/zinc/46/89/03/509468903.db2.gz JCBFBDQAOYJFDK-UHFFFAOYSA-N 1 3 372.557 2.843 20 30 FFEDHO C#CCCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000180995943 510228623 /nfs/dbraw/zinc/22/86/23/510228623.db2.gz BKFNKJIVIBHACB-JOCHJYFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C#CCCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000180995943 510228627 /nfs/dbraw/zinc/22/86/27/510228627.db2.gz BKFNKJIVIBHACB-JOCHJYFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C[C@H]1CN(CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000277284169 510958555 /nfs/dbraw/zinc/95/85/55/510958555.db2.gz KDILGYMCGAAZME-AWEZNQCLSA-N 1 3 372.435 2.611 20 30 FFEDHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279610197 511145223 /nfs/dbraw/zinc/14/52/23/511145223.db2.gz TVSBNBQNOUYIJM-CLWJZODNSA-N 1 3 352.482 2.723 20 30 FFEDHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279610197 511145228 /nfs/dbraw/zinc/14/52/28/511145228.db2.gz TVSBNBQNOUYIJM-CLWJZODNSA-N 1 3 352.482 2.723 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371596697 512485305 /nfs/dbraw/zinc/48/53/05/512485305.db2.gz JKGYRAJLUCGDJK-FQEVSTJZSA-N 1 3 370.541 2.848 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371596697 512485311 /nfs/dbraw/zinc/48/53/11/512485311.db2.gz JKGYRAJLUCGDJK-FQEVSTJZSA-N 1 3 370.541 2.848 20 30 FFEDHO COc1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1C#N ZINC000440805839 513409630 /nfs/dbraw/zinc/40/96/30/513409630.db2.gz KCCSPRQROREUOH-UHFFFAOYSA-N 1 3 364.493 2.604 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)C(C)C ZINC000509799947 515328236 /nfs/dbraw/zinc/32/82/36/515328236.db2.gz VKSVUEWIPJKPGL-LJQANCHMSA-N 1 3 350.551 2.668 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000494108158 515736740 /nfs/dbraw/zinc/73/67/40/515736740.db2.gz VYIFEXQRVBZELP-PXNSSMCTSA-N 1 3 358.530 2.936 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000518530094 516695134 /nfs/dbraw/zinc/69/51/34/516695134.db2.gz NISYPEHLMXPITJ-IRXDYDNUSA-N 1 3 350.551 2.693 20 30 FFEDHO COc1ccc([C@H](C[NH3+])CNC2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000530234075 517643114 /nfs/dbraw/zinc/64/31/14/517643114.db2.gz MHQGMSRBSDPXNR-LJQANCHMSA-N 1 3 365.477 2.905 20 30 FFEDHO COc1ccc([C@H](CN)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000530234075 517643127 /nfs/dbraw/zinc/64/31/27/517643127.db2.gz MHQGMSRBSDPXNR-LJQANCHMSA-N 1 3 365.477 2.905 20 30 FFEDHO C=CCc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(OC)c1O ZINC000530249095 517654343 /nfs/dbraw/zinc/65/43/43/517654343.db2.gz UFKFFBMTCCOZFE-IBGZPJMESA-N 1 3 360.498 2.720 20 30 FFEDHO C=CCc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(OC)c1O ZINC000530249097 517656804 /nfs/dbraw/zinc/65/68/04/517656804.db2.gz UFKFFBMTCCOZFE-LJQANCHMSA-N 1 3 360.498 2.720 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000530841948 518006163 /nfs/dbraw/zinc/00/61/63/518006163.db2.gz XWBXBALXJJFYMW-GOSISDBHSA-N 1 3 364.921 2.892 20 30 FFEDHO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000576976679 518857422 /nfs/dbraw/zinc/85/74/22/518857422.db2.gz JIHFZFRVZNARLE-ZWKOTPCHSA-N 1 3 366.431 2.751 20 30 FFEDHO C[C@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000583688477 519382239 /nfs/dbraw/zinc/38/22/39/519382239.db2.gz KWULHARMUUBRML-KRWDZBQOSA-N 1 3 363.527 2.576 20 30 FFEDHO C[C@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000583688477 519382246 /nfs/dbraw/zinc/38/22/46/519382246.db2.gz KWULHARMUUBRML-KRWDZBQOSA-N 1 3 363.527 2.576 20 30 FFEDHO C=CCc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc(OC)c1O ZINC000574904787 519396072 /nfs/dbraw/zinc/39/60/72/519396072.db2.gz IXDZECFLLGOKPA-WIYYLYMNSA-N 1 3 360.498 2.848 20 30 FFEDHO CN1CCC([NH+]2CCC(NCc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000594927013 520219609 /nfs/dbraw/zinc/21/96/09/520219609.db2.gz QPVXOCPMIFTCLJ-UHFFFAOYSA-N 1 3 352.526 2.890 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000606682200 521132972 /nfs/dbraw/zinc/13/29/72/521132972.db2.gz UQCSWCBMADFERB-UHFFFAOYSA-N 1 3 350.551 2.790 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000602514692 521388710 /nfs/dbraw/zinc/38/87/10/521388710.db2.gz LLUJKFOZMYOBSV-LJQANCHMSA-N 1 3 370.541 2.623 20 30 FFEDHO CC[NH+](CC)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744422656 735353845 /nfs/dbraw/zinc/35/38/45/735353845.db2.gz NHADVBFTUDYBFD-HUUCEWRRSA-N 1 3 356.495 2.889 20 30 FFEDHO CC[N@H+](C)C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744423258 735354105 /nfs/dbraw/zinc/35/41/05/735354105.db2.gz AUWLHMQVGTVUCQ-HUUCEWRRSA-N 1 3 356.495 2.746 20 30 FFEDHO CC[N@@H+](C)C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744423258 735354109 /nfs/dbraw/zinc/35/41/09/735354109.db2.gz AUWLHMQVGTVUCQ-HUUCEWRRSA-N 1 3 356.495 2.746 20 30 FFEDHO CC[NH+]=C(NCC(C)(C)N1CCCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262458443 729666852 /nfs/dbraw/zinc/66/68/52/729666852.db2.gz RWSXBHKPJBLQQB-GVDBMIGSSA-N 1 3 350.551 2.620 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000262836818 729672486 /nfs/dbraw/zinc/67/24/86/729672486.db2.gz SQQXDRWTYXJVEA-HRCADAONSA-N 1 3 365.319 2.694 20 30 FFEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000876744181 732275602 /nfs/dbraw/zinc/27/56/02/732275602.db2.gz RXHZPRQQIZNIIL-OAHLLOKOSA-N 1 3 353.919 2.952 20 30 FFEDHO C[C@@H]1C[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC[N@@H+]1C ZINC000741791478 735162682 /nfs/dbraw/zinc/16/26/82/735162682.db2.gz VKMBBMYDKHZMQI-QLFBSQMISA-N 1 3 356.495 2.887 20 30 FFEDHO C[C@@H]1C[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC[N@H+]1C ZINC000741791478 735162684 /nfs/dbraw/zinc/16/26/84/735162684.db2.gz VKMBBMYDKHZMQI-QLFBSQMISA-N 1 3 356.495 2.887 20 30 FFEDHO C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC000820087391 742462025 /nfs/dbraw/zinc/46/20/25/742462025.db2.gz VACUATAFGSVGAN-MAUKXSAKSA-N 1 3 364.921 2.586 20 30 FFEDHO C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC000820087391 742462029 /nfs/dbraw/zinc/46/20/29/742462029.db2.gz VACUATAFGSVGAN-MAUKXSAKSA-N 1 3 364.921 2.586 20 30 FFEDHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001104809854 970874040 /nfs/dbraw/zinc/87/40/40/970874040.db2.gz RWUQCLFLFJJKQA-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC#Cc1ccc(Cl)cc1 ZINC001267806173 971339569 /nfs/dbraw/zinc/33/95/69/971339569.db2.gz UXBIXEIPHCLFQD-ATZDWAIDSA-N 1 3 361.917 2.516 20 30 FFEDHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC#Cc1ccc(Cl)cc1 ZINC001267806173 971339574 /nfs/dbraw/zinc/33/95/74/971339574.db2.gz UXBIXEIPHCLFQD-ATZDWAIDSA-N 1 3 361.917 2.516 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167697 968989795 /nfs/dbraw/zinc/98/97/95/968989795.db2.gz ZNWXOJOSGKWNRY-HUUCEWRRSA-N 1 3 361.452 2.663 20 30 FFEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1c1ccccc1 ZINC001211690940 975383635 /nfs/dbraw/zinc/38/36/35/975383635.db2.gz QCLVOQTWXHAVMY-LEWJYISDSA-N 1 3 355.526 2.716 20 30 FFEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)=[NH+]CC)CC1 ZINC000261646865 977407846 /nfs/dbraw/zinc/40/78/46/977407846.db2.gz DRNGIRCXDKSPIN-XUVXKRRUSA-N 1 3 374.573 2.930 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC)CC[C@@H]2c2ccccc2)CC1 ZINC001087444085 977596718 /nfs/dbraw/zinc/59/67/18/977596718.db2.gz WSLWKPFGAIMLRG-FGZHOGPDSA-N 1 3 367.537 2.716 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)CC[C@@H]2c2ccccc2)CC1 ZINC001087444085 977596726 /nfs/dbraw/zinc/59/67/26/977596726.db2.gz WSLWKPFGAIMLRG-FGZHOGPDSA-N 1 3 367.537 2.716 20 30 FFEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001076605484 979708988 /nfs/dbraw/zinc/70/89/88/979708988.db2.gz CEHCXWBCTWUJRP-YUXAGFNASA-N 1 3 365.521 2.626 20 30 FFEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001076605484 979708992 /nfs/dbraw/zinc/70/89/92/979708992.db2.gz CEHCXWBCTWUJRP-YUXAGFNASA-N 1 3 365.521 2.626 20 30 FFEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409080 990053826 /nfs/dbraw/zinc/05/38/26/990053826.db2.gz AXYRZHORKDLHRK-HBMCJLEFSA-N 1 3 355.526 2.879 20 30 FFEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034409080 990053831 /nfs/dbraw/zinc/05/38/31/990053831.db2.gz AXYRZHORKDLHRK-HBMCJLEFSA-N 1 3 355.526 2.879 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001080992359 993542913 /nfs/dbraw/zinc/54/29/13/993542913.db2.gz HAZSFRRTSDYOPW-LVCYWYKZSA-N 1 3 353.510 2.529 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001080992359 993542917 /nfs/dbraw/zinc/54/29/17/993542917.db2.gz HAZSFRRTSDYOPW-LVCYWYKZSA-N 1 3 353.510 2.529 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086695192 995154830 /nfs/dbraw/zinc/15/48/30/995154830.db2.gz GMGXKNUEECCQDT-HBMCJLEFSA-N 1 3 368.525 2.806 20 30 FFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033183 998723869 /nfs/dbraw/zinc/72/38/69/998723869.db2.gz URSYRPUNTOUJBD-FUHIMQAGSA-N 1 3 351.510 2.698 20 30 FFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033183 998723871 /nfs/dbraw/zinc/72/38/71/998723871.db2.gz URSYRPUNTOUJBD-FUHIMQAGSA-N 1 3 351.510 2.698 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001085203833 999157871 /nfs/dbraw/zinc/15/78/71/999157871.db2.gz FBMUBWRAWSJZEO-SJFSSXKUSA-N 1 3 372.488 2.555 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001085203833 999157872 /nfs/dbraw/zinc/15/78/72/999157872.db2.gz FBMUBWRAWSJZEO-SJFSSXKUSA-N 1 3 372.488 2.555 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)c2ccccc2)CC1 ZINC001096605439 1016343336 /nfs/dbraw/zinc/34/33/36/1016343336.db2.gz PCBJSZRFPYXYKB-XGARDCMYSA-N 1 3 365.521 2.814 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ccccc2)CC1 ZINC001096605439 1016343347 /nfs/dbraw/zinc/34/33/47/1016343347.db2.gz PCBJSZRFPYXYKB-XGARDCMYSA-N 1 3 365.521 2.814 20 30 FFEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001112585238 1001543700 /nfs/dbraw/zinc/54/37/00/1001543700.db2.gz JYUZHQQLLFQFRT-UNMCSNQZSA-N 1 3 353.510 2.603 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193755489 1004575607 /nfs/dbraw/zinc/57/56/07/1004575607.db2.gz LJIDXKUGNXHRPA-HSALFYBXSA-N 1 3 365.562 2.525 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193755489 1004575612 /nfs/dbraw/zinc/57/56/12/1004575612.db2.gz LJIDXKUGNXHRPA-HSALFYBXSA-N 1 3 365.562 2.525 20 30 FFEDHO C[N@@H+]1CCC[C@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000815145679 1006531640 /nfs/dbraw/zinc/53/16/40/1006531640.db2.gz BRQYUEPXQDLLBX-QRWLVFNGSA-N 1 3 368.506 2.890 20 30 FFEDHO C[N@H+]1CCC[C@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000815145679 1006531652 /nfs/dbraw/zinc/53/16/52/1006531652.db2.gz BRQYUEPXQDLLBX-QRWLVFNGSA-N 1 3 368.506 2.890 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2)CC1 ZINC000858927582 1008451788 /nfs/dbraw/zinc/45/17/88/1008451788.db2.gz NUQZETFOPSZPNA-UHFFFAOYSA-N 1 3 368.525 2.511 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(COCC(F)(F)F)c1 ZINC000136894151 1008555146 /nfs/dbraw/zinc/55/51/46/1008555146.db2.gz WNLUJJDIPMUBOK-MRXNPFEDSA-N 1 3 372.435 2.654 20 30 FFEDHO N#CC1(C[C@@H](O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648616 1008793932 /nfs/dbraw/zinc/79/39/32/1008793932.db2.gz ZBRQHDJDPXDEOT-PWRODBHTSA-N 1 3 353.510 2.885 20 30 FFEDHO N#CC1(C[C@@H](O)CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648616 1008793942 /nfs/dbraw/zinc/79/39/42/1008793942.db2.gz ZBRQHDJDPXDEOT-PWRODBHTSA-N 1 3 353.510 2.885 20 30 FFEDHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CNCc1ccccc1C#N ZINC001094240991 1010983757 /nfs/dbraw/zinc/98/37/57/1010983757.db2.gz JFPAIKGNHFPALM-WIYYLYMNSA-N 1 3 368.525 2.618 20 30 FFEDHO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001274433598 1011442159 /nfs/dbraw/zinc/44/21/59/1011442159.db2.gz WAJNAIIKXDHXMH-HOTGVXAUSA-N 1 3 359.436 2.656 20 30 FFEDHO C=CCN1C(=O)CCC[C@]12CCCN(C1CC[NH+](CCCOC)CC1)C2 ZINC001172251476 1011724293 /nfs/dbraw/zinc/72/42/93/1011724293.db2.gz RBQOQHOMYLFGCL-OAQYLSRUSA-N 1 3 363.546 2.520 20 30 FFEDHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)C[C@H]2C1 ZINC001172990820 1012128335 /nfs/dbraw/zinc/12/83/35/1012128335.db2.gz RQIDRAJRXBYVMC-TVFCKZIOSA-N 1 3 362.518 2.552 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCc2ccccn2)c1 ZINC000303904014 1012513193 /nfs/dbraw/zinc/51/31/93/1012513193.db2.gz UQFQJKQKKOUHIK-LJQANCHMSA-N 1 3 367.497 2.549 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)(C)C)CC1 ZINC001111454835 1017936808 /nfs/dbraw/zinc/93/68/08/1017936808.db2.gz BPKUOXPEGWMNDG-AQNXPRMDSA-N 1 3 359.558 2.879 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)(C)C)CC1 ZINC001111454835 1017936818 /nfs/dbraw/zinc/93/68/18/1017936818.db2.gz BPKUOXPEGWMNDG-AQNXPRMDSA-N 1 3 359.558 2.879 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217860639 1032891670 /nfs/dbraw/zinc/89/16/70/1032891670.db2.gz FGZFHPPZOFFOKM-SLFFLAALSA-N 1 3 365.562 2.741 20 30 FFEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001217860639 1032891678 /nfs/dbraw/zinc/89/16/78/1032891678.db2.gz FGZFHPPZOFFOKM-SLFFLAALSA-N 1 3 365.562 2.741 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)c2ccccc2)CC1 ZINC001098461060 1020927867 /nfs/dbraw/zinc/92/78/67/1020927867.db2.gz PCBJSZRFPYXYKB-UPZYVNNASA-N 1 3 365.521 2.814 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)c2ccccc2)CC1 ZINC001098461060 1020927875 /nfs/dbraw/zinc/92/78/75/1020927875.db2.gz PCBJSZRFPYXYKB-UPZYVNNASA-N 1 3 365.521 2.814 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(CC)CC)C3)CC1 ZINC001099174280 1021999207 /nfs/dbraw/zinc/99/92/07/1021999207.db2.gz FYRAUQXFVTVKRI-UNMCSNQZSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(CC)CC)C3)CC1 ZINC001099174280 1021999218 /nfs/dbraw/zinc/99/92/18/1021999218.db2.gz FYRAUQXFVTVKRI-UNMCSNQZSA-N 1 3 359.558 2.739 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001122514158 1023314372 /nfs/dbraw/zinc/31/43/72/1023314372.db2.gz OLNBBXOVTPBYAW-GUDVDZBRSA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001122514158 1023314373 /nfs/dbraw/zinc/31/43/73/1023314373.db2.gz OLNBBXOVTPBYAW-GUDVDZBRSA-N 1 3 374.577 2.830 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101440656 1024749839 /nfs/dbraw/zinc/74/98/39/1024749839.db2.gz PXEHTZHWYJUKPI-IRLDBZIGSA-N 1 3 368.525 2.570 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101440656 1024749843 /nfs/dbraw/zinc/74/98/43/1024749843.db2.gz PXEHTZHWYJUKPI-IRLDBZIGSA-N 1 3 368.525 2.570 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCCCCCC)C[C@H]2C)CC1 ZINC001102596518 1026392010 /nfs/dbraw/zinc/39/20/10/1026392010.db2.gz KQIJGFDZUCBIAR-TZIWHRDSSA-N 1 3 361.574 2.986 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCCCCC)C[C@H]2C)CC1 ZINC001102596518 1026392025 /nfs/dbraw/zinc/39/20/25/1026392025.db2.gz KQIJGFDZUCBIAR-TZIWHRDSSA-N 1 3 361.574 2.986 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433778 1027474329 /nfs/dbraw/zinc/47/43/29/1027474329.db2.gz LINPRJHXVGYBNY-WSTZPKSXSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433778 1027474341 /nfs/dbraw/zinc/47/43/41/1027474341.db2.gz LINPRJHXVGYBNY-WSTZPKSXSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@H](c1ccccc1)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)C1=CC(=O)CCC1 ZINC001161509426 1028205806 /nfs/dbraw/zinc/20/58/06/1028205806.db2.gz OXSQYRYROWAEFE-QRWLVFNGSA-N 1 3 355.482 2.540 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796660 1033826468 /nfs/dbraw/zinc/82/64/68/1033826468.db2.gz LJIDXKUGNXHRPA-AABGKKOBSA-N 1 3 365.562 2.525 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796660 1033826485 /nfs/dbraw/zinc/82/64/85/1033826485.db2.gz LJIDXKUGNXHRPA-AABGKKOBSA-N 1 3 365.562 2.525 20 30 FFEDHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001227056253 1034921972 /nfs/dbraw/zinc/92/19/72/1034921972.db2.gz CZOICUMYVPSWRE-GUDVDZBRSA-N 1 3 360.477 2.555 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000836489057 1036585266 /nfs/dbraw/zinc/58/52/66/1036585266.db2.gz VAAINXVUJJGTPA-TZIWHRDSSA-N 1 3 370.541 2.541 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000836489057 1036585277 /nfs/dbraw/zinc/58/52/77/1036585277.db2.gz VAAINXVUJJGTPA-TZIWHRDSSA-N 1 3 370.541 2.541 20 30 FFEDHO N#Cc1ccc(Oc2ccc(CN3CCC[C@H](N4CC([NH3+])C4)C3)cc2)cc1 ZINC001236077505 1037921618 /nfs/dbraw/zinc/92/16/18/1037921618.db2.gz ISLUISZIAMVIDQ-FQEVSTJZSA-N 1 3 362.477 2.958 20 30 FFEDHO C=CCn1cc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001278709672 1040093295 /nfs/dbraw/zinc/09/32/95/1040093295.db2.gz IJNFDWYNNGEMEZ-UHFFFAOYSA-N 1 3 354.502 2.670 20 30 FFEDHO C=CCn1cc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001278709672 1040093315 /nfs/dbraw/zinc/09/33/15/1040093315.db2.gz IJNFDWYNNGEMEZ-UHFFFAOYSA-N 1 3 354.502 2.670 20 30 FFEDHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001215519018 1041812628 /nfs/dbraw/zinc/81/26/28/1041812628.db2.gz URONEFBTLGZXNV-HMXCVIKNSA-N 1 3 355.526 2.595 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001262941181 1041977627 /nfs/dbraw/zinc/97/76/27/1041977627.db2.gz DZRLVAMCWVLRFG-SFHVURJKSA-N 1 3 372.561 2.728 20 30 FFEDHO Cn1cc(CN[C@]23CC[C@]([NH2+]C4CCN(C)CC4)(C2)CCC3)cc1C#N ZINC001280071000 1044170323 /nfs/dbraw/zinc/17/03/23/1044170323.db2.gz INLRLZJZKJBFDG-RTWAWAEBSA-N 1 3 355.530 2.516 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342259097 1050850152 /nfs/dbraw/zinc/85/01/52/1050850152.db2.gz JROKXAARGVNUHL-GOSISDBHSA-N 1 3 374.577 2.974 20 30 FFEDHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC#Cc1ccccc1Cl ZINC001494980810 1063418685 /nfs/dbraw/zinc/41/86/85/1063418685.db2.gz HWAAGDUGWQSNJE-KBAYOESNSA-N 1 3 361.917 2.516 20 30 FFEDHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC#Cc1ccccc1Cl ZINC001494980810 1063418696 /nfs/dbraw/zinc/41/86/96/1063418696.db2.gz HWAAGDUGWQSNJE-KBAYOESNSA-N 1 3 361.917 2.516 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC001563953377 1076594552 /nfs/dbraw/zinc/59/45/52/1076594552.db2.gz KOARZNDEDSTVAT-OAQYLSRUSA-N 1 3 370.541 2.909 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000077201178 508286168 /nfs/dbraw/zinc/28/61/68/508286168.db2.gz GTDPESYUEAABBG-LJQANCHMSA-N 1 3 357.502 2.632 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000077201178 508286171 /nfs/dbraw/zinc/28/61/71/508286171.db2.gz GTDPESYUEAABBG-LJQANCHMSA-N 1 3 357.502 2.632 20 30 FFEDHO N#Cc1cccc(OCCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000156613750 508449892 /nfs/dbraw/zinc/44/98/92/508449892.db2.gz NTHDITYXPQFZDZ-UHFFFAOYSA-N 1 3 357.498 2.904 20 30 FFEDHO N#CCCn1cc(C[NH2+]CCCN2CCCCC2)c(-c2ccncc2)n1 ZINC000278570271 510998743 /nfs/dbraw/zinc/99/87/43/510998743.db2.gz DPAPKLQWBQXILO-UHFFFAOYSA-N 1 3 352.486 2.824 20 30 FFEDHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279432960 511081359 /nfs/dbraw/zinc/08/13/59/511081359.db2.gz DQTYERSZSAXBON-APWZRJJASA-N 1 3 352.482 2.867 20 30 FFEDHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279432960 511081365 /nfs/dbraw/zinc/08/13/65/511081365.db2.gz DQTYERSZSAXBON-APWZRJJASA-N 1 3 352.482 2.867 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000279629792 511152782 /nfs/dbraw/zinc/15/27/82/511152782.db2.gz BOZQAHOLCBMKKH-UHFFFAOYSA-N 1 3 368.525 2.776 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418281236 513450821 /nfs/dbraw/zinc/45/08/21/513450821.db2.gz CVBQEFQOBBPZBR-UHFFFAOYSA-N 1 3 371.529 2.683 20 30 FFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000415968249 513507347 /nfs/dbraw/zinc/50/73/47/513507347.db2.gz DWYNRLOTMXVVMM-LJQANCHMSA-N 1 3 372.513 2.989 20 30 FFEDHO COc1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000415126881 514455545 /nfs/dbraw/zinc/45/55/45/514455545.db2.gz HFNYERZCUUGZJY-UHFFFAOYSA-N 1 3 364.493 2.650 20 30 FFEDHO N#CCCn1cc(C[NH2+]C2CCN(CC3CC3)CC2)c(-c2ccncc2)n1 ZINC000433339598 514463685 /nfs/dbraw/zinc/46/36/85/514463685.db2.gz LTRVCDYIUGYEHV-UHFFFAOYSA-N 1 3 364.497 2.823 20 30 FFEDHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000511915955 516076718 /nfs/dbraw/zinc/07/67/18/516076718.db2.gz KBPRGMJAYWAAPU-FQEVSTJZSA-N 1 3 371.529 2.506 20 30 FFEDHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000511915955 516076727 /nfs/dbraw/zinc/07/67/27/516076727.db2.gz KBPRGMJAYWAAPU-FQEVSTJZSA-N 1 3 371.529 2.506 20 30 FFEDHO N#CCCCOc1cccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000531758849 516625489 /nfs/dbraw/zinc/62/54/89/516625489.db2.gz SJLXJZXULFNTLT-SFTDATJTSA-N 1 3 357.498 2.837 20 30 FFEDHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000554969674 516726294 /nfs/dbraw/zinc/72/62/94/516726294.db2.gz QFOJBFHTVOUSSW-AWEZNQCLSA-N 1 3 354.420 2.693 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000566430624 519489449 /nfs/dbraw/zinc/48/94/49/519489449.db2.gz FYTYYHBAYNPFED-HXUWFJFHSA-N 1 3 372.488 2.703 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000592507297 520426941 /nfs/dbraw/zinc/42/69/41/520426941.db2.gz RYRBFKZSEQCQJX-PXNSSMCTSA-N 1 3 356.514 2.772 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000592507297 520426952 /nfs/dbraw/zinc/42/69/52/520426952.db2.gz RYRBFKZSEQCQJX-PXNSSMCTSA-N 1 3 356.514 2.772 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000596632845 521178373 /nfs/dbraw/zinc/17/83/73/521178373.db2.gz PPLVFTQDYXOCPF-JXFKEZNVSA-N 1 3 371.529 2.507 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000596632845 521178381 /nfs/dbraw/zinc/17/83/81/521178381.db2.gz PPLVFTQDYXOCPF-JXFKEZNVSA-N 1 3 371.529 2.507 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000596691395 521224956 /nfs/dbraw/zinc/22/49/56/521224956.db2.gz YTRQIRCVHJAHPR-KRWDZBQOSA-N 1 3 371.529 2.509 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000596691395 521224962 /nfs/dbraw/zinc/22/49/62/521224962.db2.gz YTRQIRCVHJAHPR-KRWDZBQOSA-N 1 3 371.529 2.509 20 30 FFEDHO C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000597021800 521452170 /nfs/dbraw/zinc/45/21/70/521452170.db2.gz SCMJPOAPMOGJSD-WIYYLYMNSA-N 1 3 352.526 2.700 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1OC(F)(F)F ZINC000305030059 729737728 /nfs/dbraw/zinc/73/77/28/729737728.db2.gz QPGZXOUUTBRCTN-AWEZNQCLSA-N 1 3 358.408 2.516 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000876896792 732293816 /nfs/dbraw/zinc/29/38/16/732293816.db2.gz MVLIWUZFJLYONI-GOSISDBHSA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000876896792 732293818 /nfs/dbraw/zinc/29/38/18/732293818.db2.gz MVLIWUZFJLYONI-GOSISDBHSA-N 1 3 361.917 2.971 20 30 FFEDHO N#Cc1ccc(Br)c(CNCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000921720778 738032877 /nfs/dbraw/zinc/03/28/77/738032877.db2.gz KCGQRMXKFAQOFF-INIZCTEOSA-N 1 3 366.303 2.647 20 30 FFEDHO N#Cc1ccc(Br)c(CNCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000921720778 738032880 /nfs/dbraw/zinc/03/28/80/738032880.db2.gz KCGQRMXKFAQOFF-INIZCTEOSA-N 1 3 366.303 2.647 20 30 FFEDHO [NH2+]=C(NC[C@@H]1Cc2ccccc2O1)NC1CCN(Cc2ccccc2)CC1 ZINC000261983300 965132073 /nfs/dbraw/zinc/13/20/73/965132073.db2.gz IZHPJQPDRFDLGT-FQEVSTJZSA-N 1 3 364.493 2.559 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659035348 969654327 /nfs/dbraw/zinc/65/43/27/969654327.db2.gz VZLVQSXBXJNVOV-IBGZPJMESA-N 1 3 358.486 2.510 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC3CCC3)[C@@H]2CC)CC1 ZINC001087840042 970521757 /nfs/dbraw/zinc/52/17/57/970521757.db2.gz DWZQECGXFPEGKP-LEWJYISDSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)[C@@H]2CC)CC1 ZINC001087840042 970521766 /nfs/dbraw/zinc/52/17/66/970521766.db2.gz DWZQECGXFPEGKP-LEWJYISDSA-N 1 3 359.558 2.881 20 30 FFEDHO C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262493615 973746472 /nfs/dbraw/zinc/74/64/72/973746472.db2.gz VQZCBVYCOXFRPJ-GOSISDBHSA-N 1 3 366.513 2.712 20 30 FFEDHO C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262501415 973856058 /nfs/dbraw/zinc/85/60/58/973856058.db2.gz YLXQISYSSJCKJQ-GOSISDBHSA-N 1 3 367.497 2.977 20 30 FFEDHO CO[C@]1(C)C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000262510898 974024365 /nfs/dbraw/zinc/02/43/65/974024365.db2.gz CZTCPBAWKBBNKZ-WIYYLYMNSA-N 1 3 358.530 2.759 20 30 FFEDHO C=CC[C@@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCC[NH2+]1 ZINC000662789130 974077317 /nfs/dbraw/zinc/07/73/17/974077317.db2.gz SUGLSFNTJRLGGR-QFIPXVFZSA-N 1 3 355.526 2.852 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001027419818 974408020 /nfs/dbraw/zinc/40/80/20/974408020.db2.gz UERRYVMJTHQEIC-QHAWAJNXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001027419818 974408023 /nfs/dbraw/zinc/40/80/23/974408023.db2.gz UERRYVMJTHQEIC-QHAWAJNXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211684451 975181990 /nfs/dbraw/zinc/18/19/90/975181990.db2.gz YVQJWAILLPNNIC-BHDDXSALSA-N 1 3 367.537 2.857 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211684451 975181993 /nfs/dbraw/zinc/18/19/93/975181993.db2.gz YVQJWAILLPNNIC-BHDDXSALSA-N 1 3 367.537 2.857 20 30 FFEDHO C=CC[C@@]1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCC[NH2+]1 ZINC000662707310 975843634 /nfs/dbraw/zinc/84/36/34/975843634.db2.gz JFROHPWTVLVPII-NRFANRHFSA-N 1 3 357.498 2.528 20 30 FFEDHO C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087459832 977994484 /nfs/dbraw/zinc/99/44/84/977994484.db2.gz AGBKMIYCQOIAAO-MISYRCLQSA-N 1 3 359.489 2.628 20 30 FFEDHO C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087459832 977994489 /nfs/dbraw/zinc/99/44/89/977994489.db2.gz AGBKMIYCQOIAAO-MISYRCLQSA-N 1 3 359.489 2.628 20 30 FFEDHO C#CCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000914330318 987445164 /nfs/dbraw/zinc/44/51/64/987445164.db2.gz PTZRXQMLIPXLDV-AZUAARDMSA-N 1 3 368.525 2.561 20 30 FFEDHO C#CCN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCN(C)CC1 ZINC000915165063 988266872 /nfs/dbraw/zinc/26/68/72/988266872.db2.gz RJAUDRMTGSQOJZ-UHFFFAOYSA-N 1 3 374.573 2.770 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079158178 991861238 /nfs/dbraw/zinc/86/12/38/991861238.db2.gz WKIALTBFWFZTIM-XUVXKRRUSA-N 1 3 361.505 2.872 20 30 FFEDHO C=C(C[NH+]1CCCC1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001183080328 1002141104 /nfs/dbraw/zinc/14/11/04/1002141104.db2.gz PNUKJQKYNDVAKQ-UHFFFAOYSA-N 1 3 355.526 2.709 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604542 1003214660 /nfs/dbraw/zinc/21/46/60/1003214660.db2.gz LUMLOTFMVFIWTM-UIFIKXQLSA-N 1 3 368.525 2.615 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604542 1003214664 /nfs/dbraw/zinc/21/46/64/1003214664.db2.gz LUMLOTFMVFIWTM-UIFIKXQLSA-N 1 3 368.525 2.615 20 30 FFEDHO CCN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000852861748 1006211497 /nfs/dbraw/zinc/21/14/97/1006211497.db2.gz IIMYUIAHCPUQMM-RXVVDRJESA-N 1 3 353.510 2.673 20 30 FFEDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884378316 1007401670 /nfs/dbraw/zinc/40/16/70/1007401670.db2.gz OSOPQSAFHVSNAZ-DOLPWQRDSA-N 1 3 372.557 2.629 20 30 FFEDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884378316 1007401676 /nfs/dbraw/zinc/40/16/76/1007401676.db2.gz OSOPQSAFHVSNAZ-DOLPWQRDSA-N 1 3 372.557 2.629 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226213 1010171728 /nfs/dbraw/zinc/17/17/28/1010171728.db2.gz YQTUGLFEFGICBJ-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC001093226213 1010171737 /nfs/dbraw/zinc/17/17/37/1010171737.db2.gz YQTUGLFEFGICBJ-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO CCc1cccc(NC(=[NH2+])NCc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000303780230 1012429133 /nfs/dbraw/zinc/42/91/33/1012429133.db2.gz LEPHPPSSLXXGRS-UHFFFAOYSA-N 1 3 365.525 2.923 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000304760074 1012862940 /nfs/dbraw/zinc/86/29/40/1012862940.db2.gz RWGJQKXWOIRGGI-FUHWJXTLSA-N 1 3 361.534 2.784 20 30 FFEDHO C=C(C)CN1CCC(N(Cc2ccccn2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001048627218 1020379834 /nfs/dbraw/zinc/37/98/34/1020379834.db2.gz HFUFJULUSNMMNO-WIYYLYMNSA-N 1 3 370.541 2.791 20 30 FFEDHO C=C(C)CN1CCC(N(Cc2ccccn2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001048627218 1020379842 /nfs/dbraw/zinc/37/98/42/1020379842.db2.gz HFUFJULUSNMMNO-WIYYLYMNSA-N 1 3 370.541 2.791 20 30 FFEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001098837445 1021219138 /nfs/dbraw/zinc/21/91/38/1021219138.db2.gz QFUXHEXVDAQSNQ-DXIQSLLYSA-N 1 3 357.542 2.635 20 30 FFEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001098837445 1021219142 /nfs/dbraw/zinc/21/91/42/1021219142.db2.gz QFUXHEXVDAQSNQ-DXIQSLLYSA-N 1 3 357.542 2.635 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CC(C)(C)C2)C3)CC1 ZINC001099174097 1021999351 /nfs/dbraw/zinc/99/93/51/1021999351.db2.gz CTJIBFCAACCAQY-REWPJTCUSA-N 1 3 371.569 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CC(C)(C)C2)C3)CC1 ZINC001099174097 1021999360 /nfs/dbraw/zinc/99/93/60/1021999360.db2.gz CTJIBFCAACCAQY-REWPJTCUSA-N 1 3 371.569 2.739 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099261216 1022184221 /nfs/dbraw/zinc/18/42/21/1022184221.db2.gz QOSXOWQNGHFYEM-BZUAXINKSA-N 1 3 361.452 2.519 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099261216 1022184229 /nfs/dbraw/zinc/18/42/29/1022184229.db2.gz QOSXOWQNGHFYEM-BZUAXINKSA-N 1 3 361.452 2.519 20 30 FFEDHO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000719927859 1026702342 /nfs/dbraw/zinc/70/23/42/1026702342.db2.gz VAYQKNBHRKPASL-WOJBJXKFSA-N 1 3 356.514 2.911 20 30 FFEDHO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000719927859 1026702351 /nfs/dbraw/zinc/70/23/51/1026702351.db2.gz VAYQKNBHRKPASL-WOJBJXKFSA-N 1 3 356.514 2.911 20 30 FFEDHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000719927859 1026702360 /nfs/dbraw/zinc/70/23/60/1026702360.db2.gz VAYQKNBHRKPASL-WOJBJXKFSA-N 1 3 356.514 2.911 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268468 1027131367 /nfs/dbraw/zinc/13/13/67/1027131367.db2.gz ZBMMPQGYDIQPPX-ZTFGCOKTSA-N 1 3 353.938 2.688 20 30 FFEDHO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCCCCC)C1 ZINC001103542607 1027657924 /nfs/dbraw/zinc/65/79/24/1027657924.db2.gz PJKAVAVHVOQFGP-WOJBJXKFSA-N 1 3 367.578 2.775 20 30 FFEDHO C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCCCCC)C1 ZINC001103542607 1027657932 /nfs/dbraw/zinc/65/79/32/1027657932.db2.gz PJKAVAVHVOQFGP-WOJBJXKFSA-N 1 3 367.578 2.775 20 30 FFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112115965 1030038298 /nfs/dbraw/zinc/03/82/98/1030038298.db2.gz AZKSTGDRUHRKBN-FVQBIDKESA-N 1 3 361.452 2.804 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000798405838 1031398340 /nfs/dbraw/zinc/39/83/40/1031398340.db2.gz AFRYQHIERDSOHV-QFIPXVFZSA-N 1 3 370.541 2.848 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798405838 1031398358 /nfs/dbraw/zinc/39/83/58/1031398358.db2.gz AFRYQHIERDSOHV-QFIPXVFZSA-N 1 3 370.541 2.848 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1ccccc1F ZINC001205619612 1031875274 /nfs/dbraw/zinc/87/52/74/1031875274.db2.gz JLTGHLMBJZYULA-CEWLAPEOSA-N 1 3 371.500 2.607 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1F ZINC001205619612 1031875290 /nfs/dbraw/zinc/87/52/90/1031875290.db2.gz JLTGHLMBJZYULA-CEWLAPEOSA-N 1 3 371.500 2.607 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1F ZINC001205657680 1031910777 /nfs/dbraw/zinc/91/07/77/1031910777.db2.gz JTYIXPRNMZOLDW-PKOBYXMFSA-N 1 3 356.445 2.642 20 30 FFEDHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001228646211 1036228151 /nfs/dbraw/zinc/22/81/51/1036228151.db2.gz AUGILJWLMJGSKE-AQNXPRMDSA-N 1 3 359.489 2.534 20 30 FFEDHO C=C1C[C@@H]2CC([N@H+]3CCc4ccc(=O)n(CCN(C)C)c4CC3)C[C@H](C1)C2 ZINC001257892095 1039043049 /nfs/dbraw/zinc/04/30/49/1039043049.db2.gz SVANFFHFAXPDTL-PMSBKCLSSA-N 1 3 369.553 2.945 20 30 FFEDHO C=C1C[C@@H]2CC([N@@H+]3CCc4ccc(=O)n(CCN(C)C)c4CC3)C[C@H](C1)C2 ZINC001257892095 1039043067 /nfs/dbraw/zinc/04/30/67/1039043067.db2.gz SVANFFHFAXPDTL-PMSBKCLSSA-N 1 3 369.553 2.945 20 30 FFEDHO N#Cc1ccccc1OCC[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254051347 1040551722 /nfs/dbraw/zinc/55/17/22/1040551722.db2.gz JCGAYGYOBMDPRG-UHFFFAOYSA-N 1 3 365.477 2.554 20 30 FFEDHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1)C(C)C ZINC001215977106 1041922446 /nfs/dbraw/zinc/92/24/46/1041922446.db2.gz FVESPILZZBWLCQ-FCEUIQTBSA-N 1 3 369.553 2.841 20 30 FFEDHO COC(C)(C)CC[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279266896 1042974691 /nfs/dbraw/zinc/97/46/91/1042974691.db2.gz JWPZCRWTKIDTNC-KDURUIRLSA-N 1 3 358.530 2.856 20 30 FFEDHO COC(C)(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001279266896 1042974693 /nfs/dbraw/zinc/97/46/93/1042974693.db2.gz JWPZCRWTKIDTNC-KDURUIRLSA-N 1 3 358.530 2.856 20 30 FFEDHO Cn1cc(CN2CCCC3(CC[NH+](CC4(C)COC4)CC3)C2)cc1C#N ZINC001279460745 1043142711 /nfs/dbraw/zinc/14/27/11/1043142711.db2.gz YHYUBRMALBALEK-UHFFFAOYSA-N 1 3 356.514 2.611 20 30 FFEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cccc(C#N)c3F)C2)C1 ZINC001279762827 1043604207 /nfs/dbraw/zinc/60/42/07/1043604207.db2.gz WHAIWGSTHWFXJZ-NRFANRHFSA-N 1 3 358.505 2.937 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001343967457 1052518461 /nfs/dbraw/zinc/51/84/61/1052518461.db2.gz YYSMLNPAQGTZFY-RBUKOAKNSA-N 1 3 372.561 2.728 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC001335440986 1053365690 /nfs/dbraw/zinc/36/56/90/1053365690.db2.gz OANSNFCHXAMSGR-CYXJOQHWSA-N 1 3 372.509 2.545 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC001356609908 1055612014 /nfs/dbraw/zinc/61/20/14/1055612014.db2.gz GYJBNAPWJJPUIZ-HNNXBMFYSA-N 1 3 371.308 2.810 20 30 FFEDHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)N1CCCC1 ZINC001479470634 1062443306 /nfs/dbraw/zinc/44/33/06/1062443306.db2.gz YZHWIJLFMIKAED-LEWJYISDSA-N 1 3 367.537 2.787 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000106263870 508398800 /nfs/dbraw/zinc/39/88/00/508398800.db2.gz HULGESUUDRAKJG-GOSISDBHSA-N 1 3 350.551 2.981 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000106263870 508398801 /nfs/dbraw/zinc/39/88/01/508398801.db2.gz HULGESUUDRAKJG-GOSISDBHSA-N 1 3 350.551 2.981 20 30 FFEDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000132519813 509040462 /nfs/dbraw/zinc/04/04/62/509040462.db2.gz WMNZNTFOKBTZDO-UHFFFAOYSA-N 1 3 371.407 2.534 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248597723 509383201 /nfs/dbraw/zinc/38/32/01/509383201.db2.gz UDEXHAXPNFJTRQ-ILZDJORESA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248597723 509383205 /nfs/dbraw/zinc/38/32/05/509383205.db2.gz UDEXHAXPNFJTRQ-ILZDJORESA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248597723 509383210 /nfs/dbraw/zinc/38/32/10/509383210.db2.gz UDEXHAXPNFJTRQ-ILZDJORESA-N 1 3 357.498 2.541 20 30 FFEDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(OC)c(OCCCC#N)c1 ZINC000267891099 509657890 /nfs/dbraw/zinc/65/78/90/509657890.db2.gz RZUNSXWUSLKZAZ-SFHVURJKSA-N 1 3 363.502 2.824 20 30 FFEDHO C=C(C)COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1OC ZINC000268442655 509933853 /nfs/dbraw/zinc/93/38/53/509933853.db2.gz SHZCKYPQFQEXCR-UHFFFAOYSA-N 1 3 362.514 2.975 20 30 FFEDHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(C#N)cc1 ZINC000181975203 510686356 /nfs/dbraw/zinc/68/63/56/510686356.db2.gz ZVLYEAOFSMBTRV-MRXNPFEDSA-N 1 3 350.466 2.700 20 30 FFEDHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279610202 511145909 /nfs/dbraw/zinc/14/59/09/511145909.db2.gz TVSBNBQNOUYIJM-YZLZLFLDSA-N 1 3 352.482 2.723 20 30 FFEDHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279610202 511145915 /nfs/dbraw/zinc/14/59/15/511145915.db2.gz TVSBNBQNOUYIJM-YZLZLFLDSA-N 1 3 352.482 2.723 20 30 FFEDHO N#Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000421348618 513232081 /nfs/dbraw/zinc/23/20/81/513232081.db2.gz WOAMZEOJOZIDSP-HXUWFJFHSA-N 1 3 353.441 2.944 20 30 FFEDHO N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000421348618 513232088 /nfs/dbraw/zinc/23/20/88/513232088.db2.gz WOAMZEOJOZIDSP-HXUWFJFHSA-N 1 3 353.441 2.944 20 30 FFEDHO C=CCN1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433065713 514367803 /nfs/dbraw/zinc/36/78/03/514367803.db2.gz DFSVOOABXRXBBH-FQEVSTJZSA-N 1 3 353.510 2.761 20 30 FFEDHO N#CCCC[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000424155620 514401876 /nfs/dbraw/zinc/40/18/76/514401876.db2.gz NCISLPNXGCWHSC-GOSISDBHSA-N 1 3 362.905 2.689 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000489275128 514777967 /nfs/dbraw/zinc/77/79/67/514777967.db2.gz GROPRICQRZFKEH-GUDVDZBRSA-N 1 3 350.551 2.857 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915316 514830629 /nfs/dbraw/zinc/83/06/29/514830629.db2.gz HGIBAFJFWIUDSO-IBGZPJMESA-N 1 3 357.502 2.632 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915316 514830639 /nfs/dbraw/zinc/83/06/39/514830639.db2.gz HGIBAFJFWIUDSO-IBGZPJMESA-N 1 3 357.502 2.632 20 30 FFEDHO C=CCOc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000530248482 517653854 /nfs/dbraw/zinc/65/38/54/517653854.db2.gz KZQKBJHTJDZWIH-LJQANCHMSA-N 1 3 360.498 2.851 20 30 FFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000572594659 518265910 /nfs/dbraw/zinc/26/59/10/518265910.db2.gz BNYOZGHVEDNLSQ-NRFANRHFSA-N 1 3 367.493 2.928 20 30 FFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000572594659 518265917 /nfs/dbraw/zinc/26/59/17/518265917.db2.gz BNYOZGHVEDNLSQ-NRFANRHFSA-N 1 3 367.493 2.928 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3cccc(C#N)c3)CC2)CC1 ZINC000564347866 518410559 /nfs/dbraw/zinc/41/05/59/518410559.db2.gz IASJYGIBQKDTCY-UHFFFAOYSA-N 1 3 354.498 2.717 20 30 FFEDHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000590052001 519138183 /nfs/dbraw/zinc/13/81/83/519138183.db2.gz QCYGVUTWSRCZEA-HXUWFJFHSA-N 1 3 366.465 2.547 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000594438132 519963618 /nfs/dbraw/zinc/96/36/18/519963618.db2.gz MLWGOQNXWOHEBG-NXEWRWPSSA-N 1 3 354.498 2.709 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000594438132 519963622 /nfs/dbraw/zinc/96/36/22/519963622.db2.gz MLWGOQNXWOHEBG-NXEWRWPSSA-N 1 3 354.498 2.709 20 30 FFEDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594440544 519966357 /nfs/dbraw/zinc/96/63/57/519966357.db2.gz FCDRWXGLHSTBEE-FXAWDEMLSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594440544 519966365 /nfs/dbraw/zinc/96/63/65/519966365.db2.gz FCDRWXGLHSTBEE-FXAWDEMLSA-N 1 3 356.514 2.946 20 30 FFEDHO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000600736958 520435396 /nfs/dbraw/zinc/43/53/96/520435396.db2.gz TZDDNHIFVQYSQA-IVAOSVALSA-N 1 3 353.510 2.931 20 30 FFEDHO CN1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503748 520514803 /nfs/dbraw/zinc/51/48/03/520514803.db2.gz BGKHIJQGUSWUKN-FQEVSTJZSA-N 1 3 372.538 2.855 20 30 FFEDHO CN1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503748 520514808 /nfs/dbraw/zinc/51/48/08/520514808.db2.gz BGKHIJQGUSWUKN-FQEVSTJZSA-N 1 3 372.538 2.855 20 30 FFEDHO N#Cc1ccccc1OC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000599266729 521119415 /nfs/dbraw/zinc/11/94/15/521119415.db2.gz LIOVNGAOUNPXDN-OAQYLSRUSA-N 1 3 371.525 2.886 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000596689256 521222444 /nfs/dbraw/zinc/22/24/44/521222444.db2.gz IBAALQZDJWTGSO-IRXDYDNUSA-N 1 3 359.518 2.533 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000596689256 521222447 /nfs/dbraw/zinc/22/24/47/521222447.db2.gz IBAALQZDJWTGSO-IRXDYDNUSA-N 1 3 359.518 2.533 20 30 FFEDHO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccsc1 ZINC000104166780 728500937 /nfs/dbraw/zinc/50/09/37/728500937.db2.gz LQFQDFWCMQQVGD-IRXDYDNUSA-N 1 3 351.564 2.520 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000876896629 732293699 /nfs/dbraw/zinc/29/36/99/732293699.db2.gz JPSWTCZRWSOKMU-QGZVFWFLSA-N 1 3 350.894 2.625 20 30 FFEDHO C=CC[C@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCC[NH2+]1 ZINC000662733924 732350760 /nfs/dbraw/zinc/35/07/60/732350760.db2.gz XJCJADMPPAJUOI-LJQANCHMSA-N 1 3 351.560 2.553 20 30 FFEDHO CN1CCN(CCCNC(=[NH2+])N2CCCCCC2)[C@H](c2ccccc2)C1 ZINC000305081348 1013105069 /nfs/dbraw/zinc/10/50/69/1013105069.db2.gz SILNKBCKJHPYRK-FQEVSTJZSA-N 1 3 357.546 2.556 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001104676841 970086717 /nfs/dbraw/zinc/08/67/17/970086717.db2.gz ZVFGKKACACJYMJ-DBXWQHBBSA-N 1 3 368.525 2.617 20 30 FFEDHO CO[C@@]1(C)C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000262510895 974023890 /nfs/dbraw/zinc/02/38/90/974023890.db2.gz CZTCPBAWKBBNKZ-NQIIRXRSSA-N 1 3 358.530 2.759 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000305756464 1014167875 /nfs/dbraw/zinc/16/78/75/1014167875.db2.gz AZRSJCPIWVYTHQ-QGZVFWFLSA-N 1 3 360.502 2.531 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211729860 977518396 /nfs/dbraw/zinc/51/83/96/977518396.db2.gz LHFBFYPGIAHSLW-BHDDXSALSA-N 1 3 367.537 2.714 20 30 FFEDHO C=CCN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]CC)CC1 ZINC000261808408 978394722 /nfs/dbraw/zinc/39/47/22/978394722.db2.gz SKBPZTGRDLCKKM-OTWHNJEPSA-N 1 3 360.546 2.540 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201098 1014507862 /nfs/dbraw/zinc/50/78/62/1014507862.db2.gz CVEBVGFWEHRUCU-HXUWFJFHSA-N 1 3 356.514 2.816 20 30 FFEDHO CO[C@@H]1[C@H](C)[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000263181699 980542163 /nfs/dbraw/zinc/54/21/63/980542163.db2.gz VMZSKTDXMVJXLP-AYOQOUSVSA-N 1 3 358.530 2.615 20 30 FFEDHO C[NH+](C)CCCC(=O)NC[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC001107522664 984623491 /nfs/dbraw/zinc/62/34/91/984623491.db2.gz NHRXEJYLPCJTML-FYYLOGMGSA-N 1 3 367.537 2.741 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3CC)C[C@H]2C)CC1 ZINC001080997825 993548634 /nfs/dbraw/zinc/54/86/34/993548634.db2.gz LGAOIUYFRGLFME-XMSQKQJNSA-N 1 3 367.537 2.531 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3CC)C[C@H]2C)CC1 ZINC001080997825 993548639 /nfs/dbraw/zinc/54/86/39/993548639.db2.gz LGAOIUYFRGLFME-XMSQKQJNSA-N 1 3 367.537 2.531 20 30 FFEDHO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000812993973 995593497 /nfs/dbraw/zinc/59/34/97/995593497.db2.gz DALIKEWTIPFVPS-NRFANRHFSA-N 1 3 374.504 2.661 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC001001424620 1016798951 /nfs/dbraw/zinc/79/89/51/1016798951.db2.gz JHLQUOWZYHHVHK-LEWJYISDSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001001424620 1016798963 /nfs/dbraw/zinc/79/89/63/1016798963.db2.gz JHLQUOWZYHHVHK-LEWJYISDSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357342 1005810803 /nfs/dbraw/zinc/81/08/03/1005810803.db2.gz GKNZGKCVNVXAAQ-NRFANRHFSA-N 1 3 350.462 2.555 20 30 FFEDHO C#CCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357342 1005810805 /nfs/dbraw/zinc/81/08/05/1005810805.db2.gz GKNZGKCVNVXAAQ-NRFANRHFSA-N 1 3 350.462 2.555 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225386 1010168774 /nfs/dbraw/zinc/16/87/74/1010168774.db2.gz LJCYIRHDLXXXKB-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001093225386 1010168778 /nfs/dbraw/zinc/16/87/78/1010168778.db2.gz LJCYIRHDLXXXKB-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000303895478 1012504274 /nfs/dbraw/zinc/50/42/74/1012504274.db2.gz TWECDWMODSZEBL-LJQANCHMSA-N 1 3 371.529 2.704 20 30 FFEDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173426704 1012580673 /nfs/dbraw/zinc/58/06/73/1012580673.db2.gz DNFFIDSQVLMDKL-VQTJNVASSA-N 1 3 354.498 2.625 20 30 FFEDHO C#CCN1CCC(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000870964356 1012656136 /nfs/dbraw/zinc/65/61/36/1012656136.db2.gz ZIJVHMMVOHGTPV-UHFFFAOYSA-N 1 3 367.537 2.750 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099345573 1022336193 /nfs/dbraw/zinc/33/61/93/1022336193.db2.gz JALJLMIIIKNECH-IAGOWNOFSA-N 1 3 369.431 2.917 20 30 FFEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001160475868 1027720305 /nfs/dbraw/zinc/72/03/05/1027720305.db2.gz MDWOAMWMVAPMEH-JONQDZQNSA-N 1 3 371.485 2.853 20 30 FFEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001160475868 1027720322 /nfs/dbraw/zinc/72/03/22/1027720322.db2.gz MDWOAMWMVAPMEH-JONQDZQNSA-N 1 3 371.485 2.853 20 30 FFEDHO CN(C)/C=N/c1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc1C#N ZINC001162963000 1028734400 /nfs/dbraw/zinc/73/44/00/1028734400.db2.gz MQPHSNPEQXCWPH-WORIPGKHSA-N 1 3 355.486 2.740 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1ccccc1F ZINC001205649232 1031903787 /nfs/dbraw/zinc/90/37/87/1031903787.db2.gz WTFGTPZAGZIWQA-DFQSSKMNSA-N 1 3 361.505 2.872 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1ccccc1F ZINC001205657479 1031911291 /nfs/dbraw/zinc/91/12/91/1031911291.db2.gz FEVZAHPGJRSTNI-PKOBYXMFSA-N 1 3 361.505 2.874 20 30 FFEDHO C#CCOc1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138559223 1034412098 /nfs/dbraw/zinc/41/20/98/1034412098.db2.gz HUFRAHBNIWSOKB-FYYLOGMGSA-N 1 3 368.521 2.879 20 30 FFEDHO C#CCOc1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138559223 1034412104 /nfs/dbraw/zinc/41/21/04/1034412104.db2.gz HUFRAHBNIWSOKB-FYYLOGMGSA-N 1 3 368.521 2.879 20 30 FFEDHO C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771597 1034639689 /nfs/dbraw/zinc/63/96/89/1034639689.db2.gz WEPZWELGDVTKIK-FGZHOGPDSA-N 1 3 374.525 2.953 20 30 FFEDHO C=CCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001252494829 1039558376 /nfs/dbraw/zinc/55/83/76/1039558376.db2.gz FYEVTWPXXQSNFB-LJQANCHMSA-N 1 3 352.906 2.705 20 30 FFEDHO Cc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)[nH]1 ZINC001279291408 1042986761 /nfs/dbraw/zinc/98/67/61/1042986761.db2.gz YUTWWYXQTCGCIL-KDURUIRLSA-N 1 3 351.498 2.877 20 30 FFEDHO Cc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)[nH]1 ZINC001279291408 1042986763 /nfs/dbraw/zinc/98/67/63/1042986763.db2.gz YUTWWYXQTCGCIL-KDURUIRLSA-N 1 3 351.498 2.877 20 30 FFEDHO C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961494 1046308670 /nfs/dbraw/zinc/30/86/70/1046308670.db2.gz RRTRXTNUXVGSQH-URVUXULASA-N 1 3 355.526 2.736 20 30 FFEDHO C=CCN1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001324961494 1046308682 /nfs/dbraw/zinc/30/86/82/1046308682.db2.gz RRTRXTNUXVGSQH-URVUXULASA-N 1 3 355.526 2.736 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001346526990 1053074392 /nfs/dbraw/zinc/07/43/92/1053074392.db2.gz PIPHWPSIUXEMQW-RTBURBONSA-N 1 3 374.577 2.832 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001346526990 1053074406 /nfs/dbraw/zinc/07/44/06/1053074406.db2.gz PIPHWPSIUXEMQW-RTBURBONSA-N 1 3 374.577 2.832 20 30 FFEDHO C=CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@@H](c1cccs1)N(C)C ZINC001574925148 1078093460 /nfs/dbraw/zinc/09/34/60/1078093460.db2.gz IUVQMUUPZHGOAO-HOTGVXAUSA-N 1 3 374.558 2.732 20 30 FFEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)CC1 ZINC000068311856 507182387 /nfs/dbraw/zinc/18/23/87/507182387.db2.gz SJLBRFNZHSXQLD-UHFFFAOYSA-N 1 3 361.917 2.575 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000050024948 507652114 /nfs/dbraw/zinc/65/21/14/507652114.db2.gz CMTKBARUBNUEAL-IBGZPJMESA-N 1 3 373.566 2.983 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000106334430 508399373 /nfs/dbraw/zinc/39/93/73/508399373.db2.gz QZNROOASERPKAB-PXNSSMCTSA-N 1 3 350.551 2.837 20 30 FFEDHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000123462974 508691002 /nfs/dbraw/zinc/69/10/02/508691002.db2.gz INPVPFWHNDHYQX-FQEVSTJZSA-N 1 3 359.514 2.546 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717468 509321466 /nfs/dbraw/zinc/32/14/66/509321466.db2.gz UDEXHAXPNFJTRQ-HQRMLTQVSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717468 509321473 /nfs/dbraw/zinc/32/14/73/509321473.db2.gz UDEXHAXPNFJTRQ-HQRMLTQVSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185717468 509321481 /nfs/dbraw/zinc/32/14/81/509321481.db2.gz UDEXHAXPNFJTRQ-HQRMLTQVSA-N 1 3 357.498 2.541 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176630199 509618936 /nfs/dbraw/zinc/61/89/36/509618936.db2.gz COWQNNYBFQRDQQ-PMACEKPBSA-N 1 3 371.529 2.504 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000176720639 509657771 /nfs/dbraw/zinc/65/77/71/509657771.db2.gz MAZUJLKEZSJZRF-WIYYLYMNSA-N 1 3 353.510 2.501 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000176720639 509657775 /nfs/dbraw/zinc/65/77/75/509657775.db2.gz MAZUJLKEZSJZRF-WIYYLYMNSA-N 1 3 353.510 2.501 20 30 FFEDHO C=CCN1CCC(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000171710055 510324513 /nfs/dbraw/zinc/32/45/13/510324513.db2.gz CLUSVKRLWFUYTN-UHFFFAOYSA-N 1 3 358.530 2.978 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000171907842 510445208 /nfs/dbraw/zinc/44/52/08/510445208.db2.gz NEHYVMRDLZFXPX-KRWDZBQOSA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000171907842 510445212 /nfs/dbraw/zinc/44/52/12/510445212.db2.gz NEHYVMRDLZFXPX-KRWDZBQOSA-N 1 3 350.551 2.837 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC000530841950 518006359 /nfs/dbraw/zinc/00/63/59/518006359.db2.gz XWBXBALXJJFYMW-SFHVURJKSA-N 1 3 364.921 2.892 20 30 FFEDHO N#Cc1ccc(OC[C@H](O)CNCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000517358932 518127273 /nfs/dbraw/zinc/12/72/73/518127273.db2.gz UUXHEUMAKXRDMD-OAQYLSRUSA-N 1 3 365.477 2.684 20 30 FFEDHO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602878502 519944047 /nfs/dbraw/zinc/94/40/47/519944047.db2.gz XNNNASZPQPVAML-WBTXTPOCSA-N 1 3 360.546 2.723 20 30 FFEDHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594437412 519963143 /nfs/dbraw/zinc/96/31/43/519963143.db2.gz JPAXVTQCIOWDCX-RLLQIKCJSA-N 1 3 356.514 2.909 20 30 FFEDHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437412 519963149 /nfs/dbraw/zinc/96/31/49/519963149.db2.gz JPAXVTQCIOWDCX-RLLQIKCJSA-N 1 3 356.514 2.909 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000592524126 520437821 /nfs/dbraw/zinc/43/78/21/520437821.db2.gz BGJRWXYSSICLDF-UHFFFAOYSA-N 1 3 362.562 2.934 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000606641468 521121020 /nfs/dbraw/zinc/12/10/20/521121020.db2.gz BAWXMFKBSKLVFU-IEBWSBKVSA-N 1 3 350.551 2.715 20 30 FFEDHO C[C@H]1CCCN(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304472587 729736377 /nfs/dbraw/zinc/73/63/77/729736377.db2.gz FMVSCQKSQKJRCC-ZDUSSCGKSA-N 1 3 358.408 2.721 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC(F)F ZINC000304660531 729736755 /nfs/dbraw/zinc/73/67/55/729736755.db2.gz ADYUDBIDBGOSKJ-CYBMUJFWSA-N 1 3 360.836 2.830 20 30 FFEDHO C=CC[C@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC[NH2+]1 ZINC000662706053 732347784 /nfs/dbraw/zinc/34/77/84/732347784.db2.gz UEPZGGIJZNPUKI-HXUWFJFHSA-N 1 3 359.539 2.915 20 30 FFEDHO CC(C)[NH2+][C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000731033194 734663123 /nfs/dbraw/zinc/66/31/23/734663123.db2.gz XATIXYICLYCTFY-CABCVRRESA-N 1 3 356.495 2.935 20 30 FFEDHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC#Cc1ccc(Cl)cc1 ZINC001267806174 971339895 /nfs/dbraw/zinc/33/98/95/971339895.db2.gz UXBIXEIPHCLFQD-AYOQOUSVSA-N 1 3 361.917 2.516 20 30 FFEDHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC#Cc1ccc(Cl)cc1 ZINC001267806174 971339900 /nfs/dbraw/zinc/33/99/00/971339900.db2.gz UXBIXEIPHCLFQD-AYOQOUSVSA-N 1 3 361.917 2.516 20 30 FFEDHO CC(C)C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001271260742 972411202 /nfs/dbraw/zinc/41/12/02/972411202.db2.gz ANXYNBTZUXYVSE-RVKKMQEKSA-N 1 3 362.543 2.580 20 30 FFEDHO CC(C)C[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001271260742 972411209 /nfs/dbraw/zinc/41/12/09/972411209.db2.gz ANXYNBTZUXYVSE-RVKKMQEKSA-N 1 3 362.543 2.580 20 30 FFEDHO C=CCN(CC=C)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002759 967462957 /nfs/dbraw/zinc/46/29/57/967462957.db2.gz XHCFYOFQZNYAIN-AIZNXBIQSA-N 1 3 372.601 2.683 20 30 FFEDHO C=CCN(CC=C)CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002759 967462961 /nfs/dbraw/zinc/46/29/61/967462961.db2.gz XHCFYOFQZNYAIN-AIZNXBIQSA-N 1 3 372.601 2.683 20 30 FFEDHO C=CC[C@@]1(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CCC[NH2+]1 ZINC000662801443 974125040 /nfs/dbraw/zinc/12/50/40/974125040.db2.gz IXKMYKPAPINMLY-NRFANRHFSA-N 1 3 356.514 2.854 20 30 FFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549600 984667602 /nfs/dbraw/zinc/66/76/02/984667602.db2.gz BNDOYHDHGXHJPP-UIFIKXQLSA-N 1 3 363.521 2.583 20 30 FFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107549600 984667604 /nfs/dbraw/zinc/66/76/04/984667604.db2.gz BNDOYHDHGXHJPP-UIFIKXQLSA-N 1 3 363.521 2.583 20 30 FFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N3CCCCC3)CCC[C@@H]12 ZINC001107646756 984939116 /nfs/dbraw/zinc/93/91/16/984939116.db2.gz UVUWGYXYPJVLOM-RZUBCFFCSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N3CCCCC3)CCC[C@@H]12 ZINC001107646756 984939123 /nfs/dbraw/zinc/93/91/23/984939123.db2.gz UVUWGYXYPJVLOM-RZUBCFFCSA-N 1 3 359.558 2.881 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079158991 991862805 /nfs/dbraw/zinc/86/28/05/991862805.db2.gz DNXJADUHDMBVGE-FFZOFVMBSA-N 1 3 359.489 2.628 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3cccc(F)c3)C2)CC1 ZINC001082941198 995866905 /nfs/dbraw/zinc/86/69/05/995866905.db2.gz WXTZISJRCPWIOC-CBGDNZLLSA-N 1 3 371.500 2.668 20 30 FFEDHO CC(C)[C@H](C(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1)[NH+](C)C ZINC001085025196 998704814 /nfs/dbraw/zinc/70/48/14/998704814.db2.gz JUNWVFZFZPHHQI-QHAWAJNXSA-N 1 3 368.525 2.567 20 30 FFEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccsc4)[C@H]3C2)CC1 ZINC001085100683 998945437 /nfs/dbraw/zinc/94/54/37/998945437.db2.gz WTSXWPCCRQWVON-QUCCMNQESA-N 1 3 371.550 2.516 20 30 FFEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccsc4)[C@H]3C2)CC1 ZINC001085100683 998945441 /nfs/dbraw/zinc/94/54/41/998945441.db2.gz WTSXWPCCRQWVON-QUCCMNQESA-N 1 3 371.550 2.516 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(F)c3)C2)CC1 ZINC001086882156 1001299593 /nfs/dbraw/zinc/29/95/93/1001299593.db2.gz CQCCKFBJOPJQAI-GHTZIAJQSA-N 1 3 371.500 2.545 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086592502 1002537542 /nfs/dbraw/zinc/53/75/42/1002537542.db2.gz QOVKFRZFDIAFDX-FDFHNCONSA-N 1 3 367.537 2.857 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086592502 1002537553 /nfs/dbraw/zinc/53/75/53/1002537553.db2.gz QOVKFRZFDIAFDX-FDFHNCONSA-N 1 3 367.537 2.857 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357711 1005810536 /nfs/dbraw/zinc/81/05/36/1005810536.db2.gz SLDBPSQKZHRIOW-UWJYYQICSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357711 1005810541 /nfs/dbraw/zinc/81/05/41/1005810541.db2.gz SLDBPSQKZHRIOW-UWJYYQICSA-N 1 3 365.477 2.834 20 30 FFEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C1CC[NH+](CCCOC)CC1)C2 ZINC001172251475 1011722564 /nfs/dbraw/zinc/72/25/64/1011722564.db2.gz RBQOQHOMYLFGCL-NRFANRHFSA-N 1 3 363.546 2.520 20 30 FFEDHO C=CCOC1CCC(N2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)CC1 ZINC001173322484 1012439813 /nfs/dbraw/zinc/43/98/13/1012439813.db2.gz FJAAZUYJJPXUOZ-ZJRDLVKKSA-N 1 3 364.530 2.850 20 30 FFEDHO C=CCOC1CCC(N2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)CC1 ZINC001173322484 1012439821 /nfs/dbraw/zinc/43/98/21/1012439821.db2.gz FJAAZUYJJPXUOZ-ZJRDLVKKSA-N 1 3 364.530 2.850 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCC(C)CC2)cc1 ZINC000304758859 1012864944 /nfs/dbraw/zinc/86/49/44/1012864944.db2.gz QOHQZTQGPGDQKF-HXUWFJFHSA-N 1 3 357.546 2.812 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000304763698 1012871388 /nfs/dbraw/zinc/87/13/88/1012871388.db2.gz XDLDGDNWXVIZMP-AQNXPRMDSA-N 1 3 358.530 2.851 20 30 FFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001111023661 1020692049 /nfs/dbraw/zinc/69/20/49/1020692049.db2.gz VLTXUFYYIJHRGD-WWNBULGVSA-N 1 3 351.510 2.887 20 30 FFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001111023661 1020692059 /nfs/dbraw/zinc/69/20/59/1020692059.db2.gz VLTXUFYYIJHRGD-WWNBULGVSA-N 1 3 351.510 2.887 20 30 FFEDHO C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029563 1021628981 /nfs/dbraw/zinc/62/89/81/1021628981.db2.gz FCSXVYGJCVAPNX-DBVUQKKJSA-N 1 3 351.510 2.746 20 30 FFEDHO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029563 1021628989 /nfs/dbraw/zinc/62/89/89/1021628989.db2.gz FCSXVYGJCVAPNX-DBVUQKKJSA-N 1 3 351.510 2.746 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001122631536 1023380160 /nfs/dbraw/zinc/38/01/60/1023380160.db2.gz UQAIOFFTZCLNHJ-SQNIBIBYSA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001122631536 1023380162 /nfs/dbraw/zinc/38/01/62/1023380162.db2.gz UQAIOFFTZCLNHJ-SQNIBIBYSA-N 1 3 360.550 2.582 20 30 FFEDHO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H](N)CCC[NH3+] ZINC001160947378 1027937546 /nfs/dbraw/zinc/93/75/46/1027937546.db2.gz FBBXNGDTUSJWFR-OXJNMPFZSA-N 1 3 350.466 2.714 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001158032208 1029712093 /nfs/dbraw/zinc/71/20/93/1029712093.db2.gz RNCYADXKZQWZQV-CTNGQTDRSA-N 1 3 354.498 2.721 20 30 FFEDHO C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(C#N)c1)C2 ZINC001111949089 1029787956 /nfs/dbraw/zinc/78/79/56/1029787956.db2.gz NICCNMPLQXGIDK-UNMCSNQZSA-N 1 3 368.525 2.761 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001205434392 1031741968 /nfs/dbraw/zinc/74/19/68/1031741968.db2.gz GRCBWJRGBDKEAO-FFZOFVMBSA-N 1 3 359.489 2.628 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@H]([NH3+])Cc1cccc2ccccc21 ZINC001220868396 1034437625 /nfs/dbraw/zinc/43/76/25/1034437625.db2.gz IDUJIAGPORRADT-UXHICEINSA-N 1 3 351.494 2.866 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001221898661 1035144522 /nfs/dbraw/zinc/14/45/22/1035144522.db2.gz BTTNWAZXLVOIQG-UHFFFAOYSA-N 1 3 370.541 2.817 20 30 FFEDHO CCN1CCN(c2ccc(-c3ncc4c(c3C#N)CCC[NH2+]C4)cc2)CC1 ZINC001241739363 1044582324 /nfs/dbraw/zinc/58/23/24/1044582324.db2.gz ZASUJKVYVSPXTJ-UHFFFAOYSA-N 1 3 361.493 2.798 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccc(Br)cc2)CC1 ZINC001335985253 1053686508 /nfs/dbraw/zinc/68/65/08/1053686508.db2.gz BOLZSCLILSISEC-KRWDZBQOSA-N 1 3 351.288 2.560 20 30 FFEDHO C#C[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000848236015 1059443533 /nfs/dbraw/zinc/44/35/33/1059443533.db2.gz RINBEWZNIGOCTH-OAQYLSRUSA-N 1 3 353.510 2.673 20 30 FFEDHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000121164222 509142305 /nfs/dbraw/zinc/14/23/05/509142305.db2.gz TUTOWDMVXXSTOA-KRWDZBQOSA-N 1 3 373.545 2.608 20 30 FFEDHO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248398583 509294852 /nfs/dbraw/zinc/29/48/52/509294852.db2.gz NMWGPSDFZDRMAW-KKXYHZGYSA-N 1 3 370.541 2.787 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000180419319 509917608 /nfs/dbraw/zinc/91/76/08/509917608.db2.gz LUTNFFDFOGPYTN-UHFFFAOYSA-N 1 3 368.525 2.501 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000171741189 510340205 /nfs/dbraw/zinc/34/02/05/510340205.db2.gz GYDUSGWKZIADAM-LJQANCHMSA-N 1 3 362.562 2.934 20 30 FFEDHO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184743267 510495743 /nfs/dbraw/zinc/49/57/43/510495743.db2.gz NMWGPSDFZDRMAW-ZSYLPADVSA-N 1 3 370.541 2.787 20 30 FFEDHO C=CCN(CC=C)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184754742 510501455 /nfs/dbraw/zinc/50/14/55/510501455.db2.gz BHJKOFNZNCKKRH-OALUTQOASA-N 1 3 355.526 2.933 20 30 FFEDHO C=C(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000287626507 511054090 /nfs/dbraw/zinc/05/40/90/511054090.db2.gz SVUKUAFNFMYYOV-UHFFFAOYSA-N 1 3 356.514 2.558 20 30 FFEDHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279432964 511081261 /nfs/dbraw/zinc/08/12/61/511081261.db2.gz DQTYERSZSAXBON-QFBILLFUSA-N 1 3 352.482 2.867 20 30 FFEDHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279432964 511081266 /nfs/dbraw/zinc/08/12/66/511081266.db2.gz DQTYERSZSAXBON-QFBILLFUSA-N 1 3 352.482 2.867 20 30 FFEDHO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705504 513062198 /nfs/dbraw/zinc/06/21/98/513062198.db2.gz HEYHHYMFCZZPOK-UGKGYDQZSA-N 1 3 370.541 2.827 20 30 FFEDHO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370705504 513062201 /nfs/dbraw/zinc/06/22/01/513062201.db2.gz HEYHHYMFCZZPOK-UGKGYDQZSA-N 1 3 370.541 2.827 20 30 FFEDHO Cc1cc(C[NH3+])cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000424436139 513143822 /nfs/dbraw/zinc/14/38/22/513143822.db2.gz JHQKSKWNUTYAHQ-UHFFFAOYSA-N 1 3 365.481 2.921 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000424179128 514408395 /nfs/dbraw/zinc/40/83/95/514408395.db2.gz XTETYCQOEZQLLO-AABGKKOBSA-N 1 3 354.498 2.521 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424179128 514408399 /nfs/dbraw/zinc/40/83/99/514408399.db2.gz XTETYCQOEZQLLO-AABGKKOBSA-N 1 3 354.498 2.521 20 30 FFEDHO C=CCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000415139546 514464513 /nfs/dbraw/zinc/46/45/13/514464513.db2.gz ZURQRUJOSSLILW-WIYYLYMNSA-N 1 3 360.498 2.978 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475452356 514669574 /nfs/dbraw/zinc/66/95/74/514669574.db2.gz UFRDBXIGEIXTKL-HXUWFJFHSA-N 1 3 370.541 2.976 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475452356 514669582 /nfs/dbraw/zinc/66/95/82/514669582.db2.gz UFRDBXIGEIXTKL-HXUWFJFHSA-N 1 3 370.541 2.976 20 30 FFEDHO N#Cc1ccc(OC[C@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000563474069 517924539 /nfs/dbraw/zinc/92/45/39/517924539.db2.gz YCWUYEPRIGFWCD-OAQYLSRUSA-N 1 3 365.477 2.684 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C#N)ccc3OC)CC2)CC1 ZINC000579128928 518536529 /nfs/dbraw/zinc/53/65/29/518536529.db2.gz OBYGALIOTJVKKQ-UHFFFAOYSA-N 1 3 370.497 2.702 20 30 FFEDHO Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1OCC[NH+]1CCCC1 ZINC000594439196 519966299 /nfs/dbraw/zinc/96/62/99/519966299.db2.gz TVPOWRMBYILVLF-SFHVURJKSA-N 1 3 358.486 2.819 20 30 FFEDHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594439578 519967360 /nfs/dbraw/zinc/96/73/60/519967360.db2.gz XLZLGLCEUGOESA-HXUWFJFHSA-N 1 3 356.514 2.768 20 30 FFEDHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594439578 519967367 /nfs/dbraw/zinc/96/73/67/519967367.db2.gz XLZLGLCEUGOESA-HXUWFJFHSA-N 1 3 356.514 2.768 20 30 FFEDHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000594443778 519969051 /nfs/dbraw/zinc/96/90/51/519969051.db2.gz UPPZZPKQXRUGMM-RLLQIKCJSA-N 1 3 356.514 2.815 20 30 FFEDHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594443778 519969057 /nfs/dbraw/zinc/96/90/57/519969057.db2.gz UPPZZPKQXRUGMM-RLLQIKCJSA-N 1 3 356.514 2.815 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595259367 520376481 /nfs/dbraw/zinc/37/64/81/520376481.db2.gz LHFSOTYBTTXBGJ-WOJBJXKFSA-N 1 3 368.525 2.816 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595259367 520376487 /nfs/dbraw/zinc/37/64/87/520376487.db2.gz LHFSOTYBTTXBGJ-WOJBJXKFSA-N 1 3 368.525 2.816 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000596862636 521339756 /nfs/dbraw/zinc/33/97/56/521339756.db2.gz XGRSTKWYYBTVEU-SFHVURJKSA-N 1 3 363.550 2.518 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCCCC1 ZINC000596862636 521339761 /nfs/dbraw/zinc/33/97/61/521339761.db2.gz XGRSTKWYYBTVEU-SFHVURJKSA-N 1 3 363.550 2.518 20 30 FFEDHO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000044533088 727987315 /nfs/dbraw/zinc/98/73/15/727987315.db2.gz QDBAXCZACFKHIG-CQSZACIVSA-N 1 3 351.288 2.893 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(Br)ccc1F ZINC000303881274 729735200 /nfs/dbraw/zinc/73/52/00/729735200.db2.gz KRVMGFLTRGYDOX-CQSZACIVSA-N 1 3 371.298 2.519 20 30 FFEDHO CCOc1ccc(Cl)cc1CCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000305286917 729738024 /nfs/dbraw/zinc/73/80/24/729738024.db2.gz FLTAGYJXTDCTMX-MRXNPFEDSA-N 1 3 352.910 2.670 20 30 FFEDHO C=CCN1CCC(NC(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000650852969 731032564 /nfs/dbraw/zinc/03/25/64/731032564.db2.gz XJWSBRZURMVDCF-UHFFFAOYSA-N 1 3 350.551 2.981 20 30 FFEDHO C=CCN1CCC(NC(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000650852969 731032568 /nfs/dbraw/zinc/03/25/68/731032568.db2.gz XJWSBRZURMVDCF-UHFFFAOYSA-N 1 3 350.551 2.981 20 30 FFEDHO C#CCC1(O)CC[NH+](Cc2ccccc2N2CCN(CCC)CC2)CC1 ZINC000895669661 970834497 /nfs/dbraw/zinc/83/44/97/970834497.db2.gz IGWJICHGCHKODM-UHFFFAOYSA-N 1 3 355.526 2.569 20 30 FFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680363 975076223 /nfs/dbraw/zinc/07/62/23/975076223.db2.gz STRFQQNYQPGPEE-LSTHTHJFSA-N 1 3 352.482 2.891 20 30 FFEDHO C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087459831 977994629 /nfs/dbraw/zinc/99/46/29/977994629.db2.gz AGBKMIYCQOIAAO-DFQSSKMNSA-N 1 3 359.489 2.628 20 30 FFEDHO C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087459831 977994636 /nfs/dbraw/zinc/99/46/36/977994636.db2.gz AGBKMIYCQOIAAO-DFQSSKMNSA-N 1 3 359.489 2.628 20 30 FFEDHO CO[C@@H]1[C@@H](C)[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000263181703 980542582 /nfs/dbraw/zinc/54/25/82/980542582.db2.gz VMZSKTDXMVJXLP-ZYSHUDEJSA-N 1 3 358.530 2.615 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403450 986144410 /nfs/dbraw/zinc/14/44/10/986144410.db2.gz KNXIDNCYXCVQRM-VAMGGRTRSA-N 1 3 367.578 2.750 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403450 986144413 /nfs/dbraw/zinc/14/44/13/986144413.db2.gz KNXIDNCYXCVQRM-VAMGGRTRSA-N 1 3 367.578 2.750 20 30 FFEDHO C#CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000918496275 990411196 /nfs/dbraw/zinc/41/11/96/990411196.db2.gz GSRXMMWURLMAAM-GOSISDBHSA-N 1 3 370.541 2.855 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187771 991898811 /nfs/dbraw/zinc/89/88/11/991898811.db2.gz XZUORGGTWOAKLL-ZCNNSNEGSA-N 1 3 361.505 2.872 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NCc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC000940123294 991942155 /nfs/dbraw/zinc/94/21/55/991942155.db2.gz JQVSVJCLDTWMEJ-VQTJNVASSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NCc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000940123294 991942167 /nfs/dbraw/zinc/94/21/67/991942167.db2.gz JQVSVJCLDTWMEJ-VQTJNVASSA-N 1 3 368.525 2.759 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1ccccc1F ZINC001079310704 992011332 /nfs/dbraw/zinc/01/13/32/992011332.db2.gz FICIDIWRRJSAQY-PKOBYXMFSA-N 1 3 359.489 2.628 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1c1ccccc1 ZINC001081196598 993749847 /nfs/dbraw/zinc/74/98/47/993749847.db2.gz AGDISRMCEYGYQY-FCHUYYIVSA-N 1 3 361.489 2.579 20 30 FFEDHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001085217806 999185354 /nfs/dbraw/zinc/18/53/54/999185354.db2.gz RPEWDHVEDKAWLJ-NJDAHSKKSA-N 1 3 368.525 2.950 20 30 FFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001109720129 1000907265 /nfs/dbraw/zinc/90/72/65/1000907265.db2.gz VLTXUFYYIJHRGD-NHAYFPRASA-N 1 3 351.510 2.887 20 30 FFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001109720129 1000907271 /nfs/dbraw/zinc/90/72/71/1000907271.db2.gz VLTXUFYYIJHRGD-NHAYFPRASA-N 1 3 351.510 2.887 20 30 FFEDHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658518 1003363479 /nfs/dbraw/zinc/36/34/79/1003363479.db2.gz YFIUTGNXJWGELL-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658518 1003363493 /nfs/dbraw/zinc/36/34/93/1003363493.db2.gz YFIUTGNXJWGELL-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001194321522 1004703724 /nfs/dbraw/zinc/70/37/24/1004703724.db2.gz ZJXANDZUJLZTEU-RTBURBONSA-N 1 3 365.562 2.547 20 30 FFEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321522 1004703728 /nfs/dbraw/zinc/70/37/28/1004703728.db2.gz ZJXANDZUJLZTEU-RTBURBONSA-N 1 3 365.562 2.547 20 30 FFEDHO C#CCOc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000113325222 1007339960 /nfs/dbraw/zinc/33/99/60/1007339960.db2.gz RTXBDXOMMABMIS-UHFFFAOYSA-N 1 3 363.505 2.736 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225925 1010170516 /nfs/dbraw/zinc/17/05/16/1010170516.db2.gz UUPLWRPGLXLZRT-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001093225925 1010170525 /nfs/dbraw/zinc/17/05/25/1010170525.db2.gz UUPLWRPGLXLZRT-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001110147384 1010347767 /nfs/dbraw/zinc/34/77/67/1010347767.db2.gz ZOZFBMYFFXGFBU-NRDMVMEKSA-N 1 3 359.558 2.735 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001110147384 1010347780 /nfs/dbraw/zinc/34/77/80/1010347780.db2.gz ZOZFBMYFFXGFBU-NRDMVMEKSA-N 1 3 359.558 2.735 20 30 FFEDHO C=CCCC[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001276338312 1011944363 /nfs/dbraw/zinc/94/43/63/1011944363.db2.gz HZWVTYDKSITABG-IRLDBZIGSA-N 1 3 355.526 2.832 20 30 FFEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001276338312 1011944376 /nfs/dbraw/zinc/94/43/76/1011944376.db2.gz HZWVTYDKSITABG-IRLDBZIGSA-N 1 3 355.526 2.832 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCC(C)CC2)cc1 ZINC000304758857 1012864839 /nfs/dbraw/zinc/86/48/39/1012864839.db2.gz QOHQZTQGPGDQKF-FQEVSTJZSA-N 1 3 357.546 2.812 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCO[C@H]1CCCc2ccccc21 ZINC000304761330 1012870524 /nfs/dbraw/zinc/87/05/24/1012870524.db2.gz UHGJBSKKMPRMLX-ICSRJNTNSA-N 1 3 358.530 2.859 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099317411 1022283448 /nfs/dbraw/zinc/28/34/48/1022283448.db2.gz COZUGKMIGITPLV-OAGGEKHMSA-N 1 3 361.452 2.804 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099317411 1022283456 /nfs/dbraw/zinc/28/34/56/1022283456.db2.gz COZUGKMIGITPLV-OAGGEKHMSA-N 1 3 361.452 2.804 20 30 FFEDHO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001276301638 1024033438 /nfs/dbraw/zinc/03/34/38/1024033438.db2.gz BWJQDBBCNUOUAE-NJDAHSKKSA-N 1 3 353.510 2.760 20 30 FFEDHO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001276301638 1024033453 /nfs/dbraw/zinc/03/34/53/1024033453.db2.gz BWJQDBBCNUOUAE-NJDAHSKKSA-N 1 3 353.510 2.760 20 30 FFEDHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)N(C)C ZINC001103407758 1027417907 /nfs/dbraw/zinc/41/79/07/1027417907.db2.gz RXJQRIJNJIKLGT-CEMLEFRQSA-N 1 3 369.553 2.699 20 30 FFEDHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)N(C)C ZINC001103407758 1027417918 /nfs/dbraw/zinc/41/79/18/1027417918.db2.gz RXJQRIJNJIKLGT-CEMLEFRQSA-N 1 3 369.553 2.699 20 30 FFEDHO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H](N)CCC[NH3+] ZINC001160947381 1027937675 /nfs/dbraw/zinc/93/76/75/1027937675.db2.gz FBBXNGDTUSJWFR-OXQOHEQNSA-N 1 3 350.466 2.714 20 30 FFEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2nnn3c2CNCCC3)cc1 ZINC001162978832 1028744530 /nfs/dbraw/zinc/74/45/30/1028744530.db2.gz GZKFPCUARMGCKH-LJQANCHMSA-N 1 3 352.486 2.706 20 30 FFEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2nnn3c2CNCCC3)cc1 ZINC001162978832 1028744546 /nfs/dbraw/zinc/74/45/46/1028744546.db2.gz GZKFPCUARMGCKH-LJQANCHMSA-N 1 3 352.486 2.706 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112180543 1030164005 /nfs/dbraw/zinc/16/40/05/1030164005.db2.gz CESNTRANSIFHCT-BZUAXINKSA-N 1 3 363.468 2.908 20 30 FFEDHO C[NH+](C)CCCNC(=S)NN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841624777 1030376166 /nfs/dbraw/zinc/37/61/66/1030376166.db2.gz WISXKJMCGIGXLC-IBGZPJMESA-N 1 3 373.570 2.758 20 30 FFEDHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001112425682 1030790940 /nfs/dbraw/zinc/79/09/40/1030790940.db2.gz XAMZXMLSWJIXGI-XJUOHMSHSA-N 1 3 367.537 2.597 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001205283168 1031651443 /nfs/dbraw/zinc/65/14/43/1031651443.db2.gz ZOWQNAGZNFPNPK-VQTJNVASSA-N 1 3 371.500 2.607 20 30 FFEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)CCC[NH+](CCC)CCC)[C@H]2C1 ZINC001218951965 1033422273 /nfs/dbraw/zinc/42/22/73/1033422273.db2.gz GJPAUMIIPXQWIO-VQTJNVASSA-N 1 3 365.562 2.766 20 30 FFEDHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(Cl)c(C#N)c3)CC2)C1=O ZINC001277083160 1034450276 /nfs/dbraw/zinc/45/02/76/1034450276.db2.gz BMMBDKWKDHTHLJ-UHFFFAOYSA-N 1 3 374.916 2.588 20 30 FFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCCCCC ZINC001229181022 1036535656 /nfs/dbraw/zinc/53/56/56/1036535656.db2.gz PVPXQBBXWRSVFK-RTBURBONSA-N 1 3 353.551 2.718 20 30 FFEDHO C[NH+](C)CC(C)(C)CN1CC[C@@]2(CC(=O)N(c3cccc(C#N)c3)C2)C1 ZINC001207281460 1037310790 /nfs/dbraw/zinc/31/07/90/1037310790.db2.gz DRHPOJIHFQNDKN-OAQYLSRUSA-N 1 3 354.498 2.575 20 30 FFEDHO CC(C)[NH+]1CCC(N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001257220465 1038749268 /nfs/dbraw/zinc/74/92/68/1038749268.db2.gz QIADOQKBQRSLFC-QFIPXVFZSA-N 1 3 366.509 2.860 20 30 FFEDHO CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NCc3ccc(Cl)c(C#N)c3)(C1)CCC2 ZINC001280073410 1044172751 /nfs/dbraw/zinc/17/27/51/1044172751.db2.gz CGHITGFJRXMOLK-UXHICEINSA-N 1 3 374.916 2.824 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001343824356 1052438914 /nfs/dbraw/zinc/43/89/14/1052438914.db2.gz UQAIOFFTZCLNHJ-FGTMMUONSA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001343824356 1052438916 /nfs/dbraw/zinc/43/89/16/1052438916.db2.gz UQAIOFFTZCLNHJ-FGTMMUONSA-N 1 3 360.550 2.582 20 30 FFEDHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1O2 ZINC001356569815 1055588956 /nfs/dbraw/zinc/58/89/56/1055588956.db2.gz PMDUSDBSYLMLQU-WMZOPIPTSA-N 1 3 357.498 2.865 20 30 FFEDHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)CC1 ZINC000848426498 1059991500 /nfs/dbraw/zinc/99/15/00/1059991500.db2.gz ILLNAUROBQPZQD-IBGZPJMESA-N 1 3 357.502 2.567 20 30 FFEDHO C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001479453448 1062421315 /nfs/dbraw/zinc/42/13/15/1062421315.db2.gz DANQLWHKYMLYFK-WMQCIHAUSA-N 1 3 368.525 2.807 20 30 FFEDHO C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001479453448 1062421319 /nfs/dbraw/zinc/42/13/19/1062421319.db2.gz DANQLWHKYMLYFK-WMQCIHAUSA-N 1 3 368.525 2.807 20 30 FFEDHO COc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1OCCCC#N ZINC001579216082 1078591569 /nfs/dbraw/zinc/59/15/69/1078591569.db2.gz BIRJONKNWPQFMB-OAHLLOKOSA-N 1 3 353.413 2.712 20 30 FFEDHO C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001565986999 1076831395 /nfs/dbraw/zinc/83/13/95/1076831395.db2.gz XFXNZKKXXWJAOZ-OPYAIIAOSA-N 1 3 365.537 2.829 20 30 FFEDHO C[C@H](C(=O)N(C)CCC#N)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143093 508298913 /nfs/dbraw/zinc/29/89/13/508298913.db2.gz MTORLAFMVPWYDR-GOSISDBHSA-N 1 3 356.514 2.591 20 30 FFEDHO C[C@H](C(=O)N(C)CCC#N)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143093 508298915 /nfs/dbraw/zinc/29/89/15/508298915.db2.gz MTORLAFMVPWYDR-GOSISDBHSA-N 1 3 356.514 2.591 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106263577 508398779 /nfs/dbraw/zinc/39/87/79/508398779.db2.gz BGELYMFKHZXJBA-HDICACEKSA-N 1 3 350.551 2.694 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106263577 508398780 /nfs/dbraw/zinc/39/87/80/508398780.db2.gz BGELYMFKHZXJBA-HDICACEKSA-N 1 3 350.551 2.694 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000106334425 508399412 /nfs/dbraw/zinc/39/94/12/508399412.db2.gz QZNROOASERPKAB-YLJYHZDGSA-N 1 3 350.551 2.837 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717501 509321203 /nfs/dbraw/zinc/32/12/03/509321203.db2.gz UDEXHAXPNFJTRQ-QRFRQXIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717501 509321213 /nfs/dbraw/zinc/32/12/13/509321213.db2.gz UDEXHAXPNFJTRQ-QRFRQXIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185717501 509321220 /nfs/dbraw/zinc/32/12/20/509321220.db2.gz UDEXHAXPNFJTRQ-QRFRQXIXSA-N 1 3 357.498 2.541 20 30 FFEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267314081 509443450 /nfs/dbraw/zinc/44/34/50/509443450.db2.gz OFUQRSLOIFGSCY-KRWDZBQOSA-N 1 3 357.546 2.566 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)CC1 ZINC000264398225 509503538 /nfs/dbraw/zinc/50/35/38/509503538.db2.gz YXAUSHOYYPZSKY-UHFFFAOYSA-N 1 3 362.493 2.549 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194148129 510237636 /nfs/dbraw/zinc/23/76/36/510237636.db2.gz VFTPDCHHCJDXQU-HXUWFJFHSA-N 1 3 370.541 2.848 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194148129 510237639 /nfs/dbraw/zinc/23/76/39/510237639.db2.gz VFTPDCHHCJDXQU-HXUWFJFHSA-N 1 3 370.541 2.848 20 30 FFEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000171680162 510303158 /nfs/dbraw/zinc/30/31/58/510303158.db2.gz UBAADYATEXCRCD-UHFFFAOYSA-N 1 3 356.514 2.601 20 30 FFEDHO C=CCOc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195343973 510793465 /nfs/dbraw/zinc/79/34/65/510793465.db2.gz SWPXJAQJAGDQTR-UHFFFAOYSA-N 1 3 372.513 2.932 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000360973620 510972997 /nfs/dbraw/zinc/97/29/97/510972997.db2.gz VCRXXAWQUZGDBG-IBGZPJMESA-N 1 3 362.562 2.790 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000280305143 511415049 /nfs/dbraw/zinc/41/50/49/511415049.db2.gz HNZLHGCWIWAMLC-GOSISDBHSA-N 1 3 350.466 2.764 20 30 FFEDHO C#CCCN1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369589898 512499117 /nfs/dbraw/zinc/49/91/17/512499117.db2.gz AXPUBLSPXVWGEA-FQEVSTJZSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCCN1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369589898 512499120 /nfs/dbraw/zinc/49/91/20/512499120.db2.gz AXPUBLSPXVWGEA-FQEVSTJZSA-N 1 3 353.510 2.503 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370705501 513062061 /nfs/dbraw/zinc/06/20/61/513062061.db2.gz HEYHHYMFCZZPOK-DENIHFKCSA-N 1 3 370.541 2.827 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1N1CCN(C)CC1 ZINC000370705501 513062064 /nfs/dbraw/zinc/06/20/64/513062064.db2.gz HEYHHYMFCZZPOK-DENIHFKCSA-N 1 3 370.541 2.827 20 30 FFEDHO C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413175837 513500718 /nfs/dbraw/zinc/50/07/18/513500718.db2.gz KDOWFBQXLCTLBB-KSZLIROESA-N 1 3 356.514 2.710 20 30 FFEDHO C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413175837 513500725 /nfs/dbraw/zinc/50/07/25/513500725.db2.gz KDOWFBQXLCTLBB-KSZLIROESA-N 1 3 356.514 2.710 20 30 FFEDHO N#CCCn1cc(C[NH2+]C2CC(N3CCCCC3)C2)c(-c2ccncc2)n1 ZINC000475561888 514716309 /nfs/dbraw/zinc/71/63/09/514716309.db2.gz BDBHUXJNCPMPIU-UHFFFAOYSA-N 1 3 364.497 2.965 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)C(C)C ZINC000510352168 515512474 /nfs/dbraw/zinc/51/24/74/515512474.db2.gz SUYXEZVWYLRXED-IBGZPJMESA-N 1 3 362.562 2.955 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC(C)(C)[C@@H]3C#N)CC2)CC1 ZINC000553239749 517594206 /nfs/dbraw/zinc/59/42/06/517594206.db2.gz VCYBUJGZPRQRES-IBGZPJMESA-N 1 3 360.546 2.723 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000594442709 519969402 /nfs/dbraw/zinc/96/94/02/519969402.db2.gz SQNUBPFFNVXNIP-SLFFLAALSA-N 1 3 356.514 2.596 20 30 FFEDHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602552773 521407461 /nfs/dbraw/zinc/40/74/61/521407461.db2.gz PRRRWOIENBDJCY-HUUCEWRRSA-N 1 3 357.285 2.733 20 30 FFEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877129616 732326774 /nfs/dbraw/zinc/32/67/74/732326774.db2.gz DKTYWNGXPFIRPR-UONOGXRCSA-N 1 3 363.811 2.894 20 30 FFEDHO CC(C)[NH2+][C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000731033197 734663434 /nfs/dbraw/zinc/66/34/34/734663434.db2.gz XATIXYICLYCTFY-LSDHHAIUSA-N 1 3 356.495 2.935 20 30 FFEDHO CCc1ccc(NC(=[NH2+])NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000104162785 965985450 /nfs/dbraw/zinc/98/54/50/965985450.db2.gz OYYKHKOZFQLQHE-UHFFFAOYSA-N 1 3 365.525 2.923 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC4(CCC4)C3)[C@@H]2CC)CC1 ZINC001087840041 970522198 /nfs/dbraw/zinc/52/21/98/970522198.db2.gz DWSVJXOPKXRPHE-LEWJYISDSA-N 1 3 371.569 2.881 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)[C@@H]2CC)CC1 ZINC001087840041 970522208 /nfs/dbraw/zinc/52/22/08/970522208.db2.gz DWSVJXOPKXRPHE-LEWJYISDSA-N 1 3 371.569 2.881 20 30 FFEDHO CC1(C)[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000262514446 974051119 /nfs/dbraw/zinc/05/11/19/974051119.db2.gz FOASRCCZPKUKDL-ZCNNSNEGSA-N 1 3 370.541 2.759 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001027419815 974408185 /nfs/dbraw/zinc/40/81/85/974408185.db2.gz UERRYVMJTHQEIC-PCCBWWKXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001027419815 974408189 /nfs/dbraw/zinc/40/81/89/974408189.db2.gz UERRYVMJTHQEIC-PCCBWWKXSA-N 1 3 368.525 2.711 20 30 FFEDHO C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529791 975361509 /nfs/dbraw/zinc/36/15/09/975361509.db2.gz PLSGUELRAWYYNI-YYWHXJBOSA-N 1 3 365.537 2.993 20 30 FFEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)=[NH+]C)CC1 ZINC000261648594 977409772 /nfs/dbraw/zinc/40/97/72/977409772.db2.gz DXMIBYLNNJQIIX-IPMKNSEASA-N 1 3 360.546 2.540 20 30 FFEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000668368981 980200021 /nfs/dbraw/zinc/20/00/21/980200021.db2.gz LMEWSUJKHYNBIZ-HXUWFJFHSA-N 1 3 355.526 2.708 20 30 FFEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000668368981 980200027 /nfs/dbraw/zinc/20/00/27/980200027.db2.gz LMEWSUJKHYNBIZ-HXUWFJFHSA-N 1 3 355.526 2.708 20 30 FFEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000969042370 1014763532 /nfs/dbraw/zinc/76/35/32/1014763532.db2.gz PQLUYWMXEPVVGZ-NJYVYQBISA-N 1 3 355.526 2.879 20 30 FFEDHO C=CCN1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000969042370 1014763542 /nfs/dbraw/zinc/76/35/42/1014763542.db2.gz PQLUYWMXEPVVGZ-NJYVYQBISA-N 1 3 355.526 2.879 20 30 FFEDHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107646320 984936045 /nfs/dbraw/zinc/93/60/45/984936045.db2.gz HEYOTCPFHHODEF-IFMALSPDSA-N 1 3 368.525 2.759 20 30 FFEDHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107646320 984936050 /nfs/dbraw/zinc/93/60/50/984936050.db2.gz HEYOTCPFHHODEF-IFMALSPDSA-N 1 3 368.525 2.759 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497603 987782523 /nfs/dbraw/zinc/78/25/23/987782523.db2.gz QJPGIJRNEKGQQU-HSALFYBXSA-N 1 3 367.578 2.893 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497603 987782528 /nfs/dbraw/zinc/78/25/28/987782528.db2.gz QJPGIJRNEKGQQU-HSALFYBXSA-N 1 3 367.578 2.893 20 30 FFEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001085257841 999267663 /nfs/dbraw/zinc/26/76/63/999267663.db2.gz BQFZGCXTLDZKNU-HUUCEWRRSA-N 1 3 370.335 2.540 20 30 FFEDHO C=CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000734662646 999313795 /nfs/dbraw/zinc/31/37/95/999313795.db2.gz CIUIQXQGPRFIAJ-HXUWFJFHSA-N 1 3 371.529 2.557 20 30 FFEDHO C#CCCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357391 1005810899 /nfs/dbraw/zinc/81/08/99/1005810899.db2.gz IGBADBPDAZYEOI-QFIPXVFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C#CCCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357391 1005810903 /nfs/dbraw/zinc/81/09/03/1005810903.db2.gz IGBADBPDAZYEOI-QFIPXVFZSA-N 1 3 364.489 2.945 20 30 FFEDHO CCN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000852861747 1006211561 /nfs/dbraw/zinc/21/15/61/1006211561.db2.gz IIMYUIAHCPUQMM-NQIIRXRSSA-N 1 3 353.510 2.673 20 30 FFEDHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000104181575 1009934144 /nfs/dbraw/zinc/93/41/44/1009934144.db2.gz ILEUZEMAODOLGI-QGZVFWFLSA-N 1 3 362.518 2.763 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001094241465 1010984860 /nfs/dbraw/zinc/98/48/60/1010984860.db2.gz GHTMSAHJHOVGTJ-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001274432509 1011438986 /nfs/dbraw/zinc/43/89/86/1011438986.db2.gz DEFYGHRAZXKWBB-JKSUJKDBSA-N 1 3 359.436 2.514 20 30 FFEDHO C#CCOCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077411 1011615156 /nfs/dbraw/zinc/61/51/56/1011615156.db2.gz RIJFMIYKQHKVHY-KOUNCHBCSA-N 1 3 356.510 2.828 20 30 FFEDHO C#CCOCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077411 1011615162 /nfs/dbraw/zinc/61/51/62/1011615162.db2.gz RIJFMIYKQHKVHY-KOUNCHBCSA-N 1 3 356.510 2.828 20 30 FFEDHO CCCCCCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275119947 1011970421 /nfs/dbraw/zinc/97/04/21/1011970421.db2.gz ZCANONYMGCGHNR-NRFANRHFSA-N 1 3 367.578 2.850 20 30 FFEDHO CCCCCCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(CCN(C)C)C2)C1 ZINC001275119947 1011970429 /nfs/dbraw/zinc/97/04/29/1011970429.db2.gz ZCANONYMGCGHNR-NRFANRHFSA-N 1 3 367.578 2.850 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000304763704 1012870656 /nfs/dbraw/zinc/87/06/56/1012870656.db2.gz XDLDGDNWXVIZMP-ZCNNSNEGSA-N 1 3 358.530 2.851 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CCCC2)CC1 ZINC001098461159 1020927709 /nfs/dbraw/zinc/92/77/09/1020927709.db2.gz REAZQQKSZDNVPG-NJYVYQBISA-N 1 3 357.542 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CCCC2)CC1 ZINC001098461159 1020927716 /nfs/dbraw/zinc/92/77/16/1020927716.db2.gz REAZQQKSZDNVPG-NJYVYQBISA-N 1 3 357.542 2.633 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C(F)(F)F ZINC001099273944 1022206146 /nfs/dbraw/zinc/20/61/46/1022206146.db2.gz NMIYNALAQNEKEE-HUUCEWRRSA-N 1 3 361.452 2.804 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C(F)(F)F ZINC001099273944 1022206153 /nfs/dbraw/zinc/20/61/53/1022206153.db2.gz NMIYNALAQNEKEE-HUUCEWRRSA-N 1 3 361.452 2.804 20 30 FFEDHO N#Cc1c(NC(=O)[C@@H]2C[NH2+]C[C@H](c3ccccc3)C2)sc2c1CCNC2 ZINC001218554963 1033219920 /nfs/dbraw/zinc/21/99/20/1033219920.db2.gz XKUXENOEJXMVOG-CABCVRRESA-N 1 3 366.490 2.597 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001102596745 1026392205 /nfs/dbraw/zinc/39/22/05/1026392205.db2.gz WGNNKNIOXGXZLE-UYAOXDASSA-N 1 3 361.574 2.842 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001102596745 1026392217 /nfs/dbraw/zinc/39/22/17/1026392217.db2.gz WGNNKNIOXGXZLE-UYAOXDASSA-N 1 3 361.574 2.842 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205407975 1031720177 /nfs/dbraw/zinc/72/01/77/1031720177.db2.gz NPHMTIKWAHCJFY-PWRODBHTSA-N 1 3 371.500 2.606 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205407975 1031720182 /nfs/dbraw/zinc/72/01/82/1031720182.db2.gz NPHMTIKWAHCJFY-PWRODBHTSA-N 1 3 371.500 2.606 20 30 FFEDHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223956142 1033660978 /nfs/dbraw/zinc/66/09/78/1033660978.db2.gz ZGDNMBALECTDQZ-RTWAWAEBSA-N 1 3 368.525 2.713 20 30 FFEDHO N#Cc1cccc2c(CN3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c[nH]c21 ZINC001139702397 1035201558 /nfs/dbraw/zinc/20/15/58/1035201558.db2.gz CTVBGKLBKOOUAJ-WOJBJXKFSA-N 1 3 357.461 2.998 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000836489050 1036586049 /nfs/dbraw/zinc/58/60/49/1036586049.db2.gz VAAINXVUJJGTPA-FPOVZHCZSA-N 1 3 370.541 2.541 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000836489050 1036586052 /nfs/dbraw/zinc/58/60/52/1036586052.db2.gz VAAINXVUJJGTPA-FPOVZHCZSA-N 1 3 370.541 2.541 20 30 FFEDHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccc(F)cc2)C1 ZINC001229692911 1036833930 /nfs/dbraw/zinc/83/39/30/1036833930.db2.gz MOSPPMOZYUZONX-HMXCVIKNSA-N 1 3 371.500 2.536 20 30 FFEDHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccc(F)cc2)C1 ZINC001229692911 1036833947 /nfs/dbraw/zinc/83/39/47/1036833947.db2.gz MOSPPMOZYUZONX-HMXCVIKNSA-N 1 3 371.500 2.536 20 30 FFEDHO N#Cc1cccc(N2C[C@@]3(CC[N@H+](CCCN4CCCCC4)C3)CC2=O)c1 ZINC001209450572 1038876677 /nfs/dbraw/zinc/87/66/77/1038876677.db2.gz NKTTXLUEDKRFLJ-QFIPXVFZSA-N 1 3 366.509 2.863 20 30 FFEDHO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](CCCN4CCCCC4)C3)CC2=O)c1 ZINC001209450572 1038876705 /nfs/dbraw/zinc/87/67/05/1038876705.db2.gz NKTTXLUEDKRFLJ-QFIPXVFZSA-N 1 3 366.509 2.863 20 30 FFEDHO C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CCN[C@@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246703832 1039444607 /nfs/dbraw/zinc/44/46/07/1039444607.db2.gz SBYSZGQNWOMBKW-RYTRXMBJSA-N 1 3 353.510 2.631 20 30 FFEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCN[C@@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246703832 1039444618 /nfs/dbraw/zinc/44/46/18/1039444618.db2.gz SBYSZGQNWOMBKW-RYTRXMBJSA-N 1 3 353.510 2.631 20 30 FFEDHO C=CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001252495865 1039558999 /nfs/dbraw/zinc/55/89/99/1039558999.db2.gz SHNRKCFHSGWVGT-SFHVURJKSA-N 1 3 352.906 2.705 20 30 FFEDHO C=CCCCCCC[C@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001253241787 1040065870 /nfs/dbraw/zinc/06/58/70/1040065870.db2.gz DIEGGLGSXKGSQR-NRFANRHFSA-N 1 3 351.579 2.833 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322135 1040447194 /nfs/dbraw/zinc/44/71/94/1040447194.db2.gz BWRPJCTXJVTMCK-VAMGGRTRSA-N 1 3 367.578 2.894 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322135 1040447204 /nfs/dbraw/zinc/44/72/04/1040447204.db2.gz BWRPJCTXJVTMCK-VAMGGRTRSA-N 1 3 367.578 2.894 20 30 FFEDHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001264486860 1042693493 /nfs/dbraw/zinc/69/34/93/1042693493.db2.gz JCTJZIPYMAHMMG-XUVXKRRUSA-N 1 3 356.514 2.519 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCCN2CC#Cc2ccccc2)CC[N@@H+]1C ZINC001266214995 1042901806 /nfs/dbraw/zinc/90/18/06/1042901806.db2.gz HCWBPLQUISMYRV-CEMLEFRQSA-N 1 3 367.537 2.739 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCCN2CC#Cc2ccccc2)CC[N@H+]1C ZINC001266214995 1042901809 /nfs/dbraw/zinc/90/18/09/1042901809.db2.gz HCWBPLQUISMYRV-CEMLEFRQSA-N 1 3 367.537 2.739 20 30 FFEDHO N#CC1(NC(=O)[C@@H]2CC23CC[NH+](CCCN2CCCCC2)CC3)CCC1 ZINC001279844229 1043760706 /nfs/dbraw/zinc/76/07/06/1043760706.db2.gz NAPIXEZFPCQQBX-SFHVURJKSA-N 1 3 358.530 2.527 20 30 FFEDHO C=C(Cl)CN[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001332220623 1048307241 /nfs/dbraw/zinc/30/72/41/1048307241.db2.gz HSGIJVIUOWMWNX-NZSAHSFTSA-N 1 3 363.933 2.786 20 30 FFEDHO C=C(Cl)CN[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001332220623 1048307251 /nfs/dbraw/zinc/30/72/51/1048307251.db2.gz HSGIJVIUOWMWNX-NZSAHSFTSA-N 1 3 363.933 2.786 20 30 FFEDHO C=C(C[NH+](C)C)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001292726162 1049384987 /nfs/dbraw/zinc/38/49/87/1049384987.db2.gz ONNFXUMGPWBAHL-UHFFFAOYSA-N 1 3 372.513 2.948 20 30 FFEDHO Cc1cc(C(C#N)C(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)nc(C)n1 ZINC001341932598 1050530116 /nfs/dbraw/zinc/53/01/16/1050530116.db2.gz ZALVKBXXSRHZHM-QPGLYAHGSA-N 1 3 364.449 2.924 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001340483901 1050879695 /nfs/dbraw/zinc/87/96/95/1050879695.db2.gz MKYJPDNTTDJKEU-CEXWTWQISA-N 1 3 353.551 2.809 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001342355263 1050950042 /nfs/dbraw/zinc/95/00/42/1050950042.db2.gz OLNBBXOVTPBYAW-QYZOEREBSA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001342355263 1050950045 /nfs/dbraw/zinc/95/00/45/1050950045.db2.gz OLNBBXOVTPBYAW-QYZOEREBSA-N 1 3 374.577 2.830 20 30 FFEDHO CCCC[NH+]=C(NCCN1CCN(C)C(C)(C)C1)NCc1ccc(C)cc1 ZINC000849107761 1056764077 /nfs/dbraw/zinc/76/40/77/1056764077.db2.gz QGDUPZWQJRHTCS-UHFFFAOYSA-N 1 3 373.589 2.856 20 30 FFEDHO N#Cc1cccc(OCCCN2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001560216884 1076248296 /nfs/dbraw/zinc/24/82/96/1076248296.db2.gz CLZHNPOKRIYATQ-UHFFFAOYSA-N 1 3 357.498 2.640 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC000079440361 507962342 /nfs/dbraw/zinc/96/23/42/507962342.db2.gz ZVGDSCOWXLHFRT-VQTJNVASSA-N 1 3 362.562 2.955 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080121103 508040637 /nfs/dbraw/zinc/04/06/37/508040637.db2.gz UBVADNDZQONDHG-NQIIRXRSSA-N 1 3 370.541 2.989 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080121103 508040640 /nfs/dbraw/zinc/04/06/40/508040640.db2.gz UBVADNDZQONDHG-NQIIRXRSSA-N 1 3 370.541 2.989 20 30 FFEDHO C#CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136587834 508702012 /nfs/dbraw/zinc/70/20/12/508702012.db2.gz WEDHXJKJMJQEGN-YADHBBJMSA-N 1 3 356.510 2.946 20 30 FFEDHO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248404159 509298280 /nfs/dbraw/zinc/29/82/80/509298280.db2.gz ZXTZTCHKVUIABH-IWQHBPENSA-N 1 3 370.541 2.741 20 30 FFEDHO CCN1CCN(CCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000264101818 509330753 /nfs/dbraw/zinc/33/07/53/509330753.db2.gz OJHVZBCRKGONPG-ZDUSSCGKSA-N 1 3 372.344 2.596 20 30 FFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000185886245 509407983 /nfs/dbraw/zinc/40/79/83/509407983.db2.gz FSVQESUOXJMTRK-UYAOXDASSA-N 1 3 354.498 2.684 20 30 FFEDHO C#CCCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180995920 510229115 /nfs/dbraw/zinc/22/91/15/510229115.db2.gz BKFNKJIVIBHACB-QFIPXVFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C#CCCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000180995920 510229124 /nfs/dbraw/zinc/22/91/24/510229124.db2.gz BKFNKJIVIBHACB-QFIPXVFZSA-N 1 3 364.489 2.945 20 30 FFEDHO C[C@@H]1CN(CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCCO1 ZINC000277279959 510958506 /nfs/dbraw/zinc/95/85/06/510958506.db2.gz JYJYAGBMUQDUHK-CYBMUJFWSA-N 1 3 374.407 2.813 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287725515 511055362 /nfs/dbraw/zinc/05/53/62/511055362.db2.gz NUVQWZCRNXSEOH-FXAWDEMLSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287725515 511055368 /nfs/dbraw/zinc/05/53/68/511055368.db2.gz NUVQWZCRNXSEOH-FXAWDEMLSA-N 1 3 356.514 2.599 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3scnc3C3CC3)CC2)CC1 ZINC000328620517 511895137 /nfs/dbraw/zinc/89/51/37/511895137.db2.gz WXYRXURSYSTAMM-UHFFFAOYSA-N 1 3 363.531 2.905 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C(C)C ZINC000415953254 513496924 /nfs/dbraw/zinc/49/69/24/513496924.db2.gz FGYDZOMWNWIGFG-FXAWDEMLSA-N 1 3 371.529 2.718 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)C(C)C ZINC000480542828 514992929 /nfs/dbraw/zinc/99/29/29/514992929.db2.gz ARAALSISYPOURC-HSALFYBXSA-N 1 3 362.562 2.953 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)C(C)C ZINC000480541533 514993691 /nfs/dbraw/zinc/99/36/91/514993691.db2.gz LVUWQGPDZJFZTK-SLFFLAALSA-N 1 3 362.562 2.953 20 30 FFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)C(C)C ZINC000503396637 515018840 /nfs/dbraw/zinc/01/88/40/515018840.db2.gz XRBMAAHSMNPBOC-FQEVSTJZSA-N 1 3 362.562 2.955 20 30 FFEDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000482138024 515584925 /nfs/dbraw/zinc/58/49/25/515584925.db2.gz AYOQHRIOZPVLKM-IRFCIJBXSA-N 1 3 359.514 2.788 20 30 FFEDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000482138024 515584936 /nfs/dbraw/zinc/58/49/36/515584936.db2.gz AYOQHRIOZPVLKM-IRFCIJBXSA-N 1 3 359.514 2.788 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3CC#N)CC2)CC1 ZINC000578520716 518249535 /nfs/dbraw/zinc/24/95/35/518249535.db2.gz ARANXOXSWBMNNU-UHFFFAOYSA-N 1 3 354.498 2.887 20 30 FFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000572594661 518265765 /nfs/dbraw/zinc/26/57/65/518265765.db2.gz BNYOZGHVEDNLSQ-OAQYLSRUSA-N 1 3 367.493 2.928 20 30 FFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000572594661 518265769 /nfs/dbraw/zinc/26/57/69/518265769.db2.gz BNYOZGHVEDNLSQ-OAQYLSRUSA-N 1 3 367.493 2.928 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595259365 520377670 /nfs/dbraw/zinc/37/76/70/520377670.db2.gz LHFSOTYBTTXBGJ-UXHICEINSA-N 1 3 368.525 2.816 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595259365 520377676 /nfs/dbraw/zinc/37/76/76/520377676.db2.gz LHFSOTYBTTXBGJ-UXHICEINSA-N 1 3 368.525 2.816 20 30 FFEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599662090 521375491 /nfs/dbraw/zinc/37/54/91/521375491.db2.gz YCRIWNVSTGXEDI-NRFANRHFSA-N 1 3 367.493 2.882 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000262836822 729672505 /nfs/dbraw/zinc/67/25/05/729672505.db2.gz SQQXDRWTYXJVEA-OWCLPIDISA-N 1 3 365.319 2.694 20 30 FFEDHO [NH2+]=C(NCCN1CCCCCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304482986 729736763 /nfs/dbraw/zinc/73/67/63/729736763.db2.gz KHZYRRTVIBLANW-UHFFFAOYSA-N 1 3 358.408 2.866 20 30 FFEDHO C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001075423207 964255160 /nfs/dbraw/zinc/25/51/60/964255160.db2.gz PZCALBIPQKKLLL-UYAOXDASSA-N 1 3 371.500 2.629 20 30 FFEDHO C#CCNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccc2ccccc2c1 ZINC001270368839 965003567 /nfs/dbraw/zinc/00/35/67/965003567.db2.gz IYCUGLQFXDUUQP-BHDDXSALSA-N 1 3 363.505 2.950 20 30 FFEDHO C#CCNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccc2ccccc2c1 ZINC001270368839 965003576 /nfs/dbraw/zinc/00/35/76/965003576.db2.gz IYCUGLQFXDUUQP-BHDDXSALSA-N 1 3 363.505 2.950 20 30 FFEDHO CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262400441 972740589 /nfs/dbraw/zinc/74/05/89/972740589.db2.gz NQSGYRZAXYYBAG-HCXYKTFWSA-N 1 3 362.562 2.716 20 30 FFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680362 975076192 /nfs/dbraw/zinc/07/61/92/975076192.db2.gz STRFQQNYQPGPEE-FFZOFVMBSA-N 1 3 352.482 2.891 20 30 FFEDHO C[NH+]=C(NCc1coc(-c2ccccc2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000262795358 979931167 /nfs/dbraw/zinc/93/11/67/979931167.db2.gz PHQCOSAZRQQZHD-IBGZPJMESA-N 1 3 367.497 2.977 20 30 FFEDHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001107646119 984936157 /nfs/dbraw/zinc/93/61/57/984936157.db2.gz CWRCFYIAARSZNV-IFMALSPDSA-N 1 3 368.525 2.759 20 30 FFEDHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001107646119 984936165 /nfs/dbraw/zinc/93/61/65/984936165.db2.gz CWRCFYIAARSZNV-IFMALSPDSA-N 1 3 368.525 2.759 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001079311132 992012886 /nfs/dbraw/zinc/01/28/86/992012886.db2.gz QNUSVCCCYMCLSV-IMFGXOCKSA-N 1 3 359.489 2.628 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001086882853 1001300804 /nfs/dbraw/zinc/30/08/04/1001300804.db2.gz PUKDEIWEGOTZTM-WMQCIHAUSA-N 1 3 368.525 2.807 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193755491 1004576126 /nfs/dbraw/zinc/57/61/26/1004576126.db2.gz LJIDXKUGNXHRPA-VAMGGRTRSA-N 1 3 365.562 2.525 20 30 FFEDHO CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193755491 1004576133 /nfs/dbraw/zinc/57/61/33/1004576133.db2.gz LJIDXKUGNXHRPA-VAMGGRTRSA-N 1 3 365.562 2.525 20 30 FFEDHO CC1CCN([C@H](CNC(=O)C#CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000852861992 1006211351 /nfs/dbraw/zinc/21/13/51/1006211351.db2.gz PENFKWACTRTIHB-OAQYLSRUSA-N 1 3 353.510 2.579 20 30 FFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136582594 1008545513 /nfs/dbraw/zinc/54/55/13/1008545513.db2.gz FPPRCYDJWPACDX-CZAAIQMYSA-N 1 3 357.498 2.835 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862167521 1009728859 /nfs/dbraw/zinc/72/88/59/1009728859.db2.gz YGNAWTVSMVHJNY-SFHVURJKSA-N 1 3 370.541 2.758 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862167521 1009728871 /nfs/dbraw/zinc/72/88/71/1009728871.db2.gz YGNAWTVSMVHJNY-SFHVURJKSA-N 1 3 370.541 2.758 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000868283804 1011228104 /nfs/dbraw/zinc/22/81/04/1011228104.db2.gz HYAMILRWAOEUPD-UHFFFAOYSA-N 1 3 370.541 2.600 20 30 FFEDHO C=CCN(CC=C)CCN1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171640560 1011423861 /nfs/dbraw/zinc/42/38/61/1011423861.db2.gz FGYGJQPYANRGIU-UHFFFAOYSA-N 1 3 362.606 2.929 20 30 FFEDHO Cc1cccc(NC(=[NH2+])NCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000303890762 1012501913 /nfs/dbraw/zinc/50/19/13/1012501913.db2.gz MOFTXUJWDVTHCR-UHFFFAOYSA-N 1 3 365.525 2.930 20 30 FFEDHO CC[C@H](C)c1ccc(NC(=[NH2+])NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000303983296 1012552345 /nfs/dbraw/zinc/55/23/45/1012552345.db2.gz RAJJLFOPSDTCOV-QFBILLFUSA-N 1 3 373.545 2.869 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](C)CC(C)C)CC1 ZINC001111455347 1017948297 /nfs/dbraw/zinc/94/82/97/1017948297.db2.gz ZOZFBMYFFXGFBU-WLRLJWMZSA-N 1 3 359.558 2.735 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)CC(C)C)CC1 ZINC001111455347 1017948306 /nfs/dbraw/zinc/94/83/06/1017948306.db2.gz ZOZFBMYFFXGFBU-WLRLJWMZSA-N 1 3 359.558 2.735 20 30 FFEDHO C#CCCC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@H]2c1ccccc1 ZINC001276383774 1019919639 /nfs/dbraw/zinc/91/96/39/1019919639.db2.gz IIKYUTPPNJMPLS-FQEVSTJZSA-N 1 3 353.510 2.627 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331217 1023195916 /nfs/dbraw/zinc/19/59/16/1023195916.db2.gz JWPXDHPQUNHSOU-PLACYPQZSA-N 1 3 368.525 2.815 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331217 1023195921 /nfs/dbraw/zinc/19/59/21/1023195921.db2.gz JWPXDHPQUNHSOU-PLACYPQZSA-N 1 3 368.525 2.815 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001122514313 1023314063 /nfs/dbraw/zinc/31/40/63/1023314063.db2.gz OLNBBXOVTPBYAW-QRVBRYPASA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001122514313 1023314068 /nfs/dbraw/zinc/31/40/68/1023314068.db2.gz OLNBBXOVTPBYAW-QRVBRYPASA-N 1 3 374.577 2.830 20 30 FFEDHO C[NH+](C)CCCCC(=O)N1C[C@H]2CN(Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001101437704 1024740763 /nfs/dbraw/zinc/74/07/63/1024740763.db2.gz KEQWVMYIKKFASE-IRLDBZIGSA-N 1 3 368.525 2.570 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434000 1027474074 /nfs/dbraw/zinc/47/40/74/1027474074.db2.gz QOWCCPDVPDFJBD-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434000 1027474082 /nfs/dbraw/zinc/47/40/82/1027474082.db2.gz QOWCCPDVPDFJBD-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001153501719 1027906924 /nfs/dbraw/zinc/90/69/24/1027906924.db2.gz SOIHOXYZJPTDSG-LSTHTHJFSA-N 1 3 356.514 2.615 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(CC)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001153501719 1027906946 /nfs/dbraw/zinc/90/69/46/1027906946.db2.gz SOIHOXYZJPTDSG-LSTHTHJFSA-N 1 3 356.514 2.615 20 30 FFEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc([C@@H](C#N)c2ccccc2F)nn1 ZINC001163129476 1028813865 /nfs/dbraw/zinc/81/38/65/1028813865.db2.gz ZVWMKTLGTNQBPW-HNNXBMFYSA-N 1 3 369.448 2.549 20 30 FFEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1nc(Cl)nc2c1CN(C)CC2 ZINC001163474564 1028940466 /nfs/dbraw/zinc/94/04/66/1028940466.db2.gz KEZRXMQMWTZWJW-UHFFFAOYSA-N 1 3 358.877 2.607 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)cc1 ZINC001219235887 1033567074 /nfs/dbraw/zinc/56/70/74/1033567074.db2.gz HVTQNGRLZVOCEH-YLJYHZDGSA-N 1 3 363.465 2.514 20 30 FFEDHO CC(C)C[C@H](C#N)NC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220702765 1034344220 /nfs/dbraw/zinc/34/42/20/1034344220.db2.gz FREULZVKVOJHDH-KCZVDYSFSA-N 1 3 368.525 2.543 20 30 FFEDHO CC(C)[NH+]1CCC(N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001257220463 1038748561 /nfs/dbraw/zinc/74/85/61/1038748561.db2.gz QIADOQKBQRSLFC-JOCHJYFZSA-N 1 3 366.509 2.860 20 30 FFEDHO C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CCN[C@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246703825 1039444641 /nfs/dbraw/zinc/44/46/41/1039444641.db2.gz SBYSZGQNWOMBKW-RQGSJKACSA-N 1 3 353.510 2.631 20 30 FFEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCN[C@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246703825 1039444654 /nfs/dbraw/zinc/44/46/54/1039444654.db2.gz SBYSZGQNWOMBKW-RQGSJKACSA-N 1 3 353.510 2.631 20 30 FFEDHO C[NH+](C)CCN1CCN(C2CCC(C#N)(c3ccc(F)cc3)CC2)CC1 ZINC001254353242 1040681964 /nfs/dbraw/zinc/68/19/64/1040681964.db2.gz XGAUKVMZYQXYII-UHFFFAOYSA-N 1 3 358.505 2.709 20 30 FFEDHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@H]2CC1 ZINC001279133263 1042912787 /nfs/dbraw/zinc/91/27/87/1042912787.db2.gz KITLAKDHAPHCMD-CALCHBBNSA-N 1 3 362.468 2.542 20 30 FFEDHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(F)ccc(C#N)c3F)C[C@H]2CC1 ZINC001279133263 1042912792 /nfs/dbraw/zinc/91/27/92/1042912792.db2.gz KITLAKDHAPHCMD-CALCHBBNSA-N 1 3 362.468 2.542 20 30 FFEDHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccccc3CC#N)(C1)CCC2 ZINC001279376097 1043036445 /nfs/dbraw/zinc/03/64/45/1043036445.db2.gz PPZCFQJLNSTDFY-RTWAWAEBSA-N 1 3 357.498 2.898 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC001338490741 1055563358 /nfs/dbraw/zinc/56/33/58/1055563358.db2.gz AQZXETQZMTZMNK-OAQYLSRUSA-N 1 3 352.478 2.657 20 30 FFEDHO C=C(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849106117 1056763843 /nfs/dbraw/zinc/76/38/43/1056763843.db2.gz VIZSHIMEPICYSS-UYAOXDASSA-N 1 3 356.514 2.746 20 30 FFEDHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)CC1 ZINC000848413489 1059968903 /nfs/dbraw/zinc/96/89/03/1059968903.db2.gz GOSJOYUSVXSMGE-HXUWFJFHSA-N 1 3 371.529 2.814 20 30 FFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C2CC2)C[C@H](C)C1)C(C)C ZINC001467660304 1063810525 /nfs/dbraw/zinc/81/05/25/1063810525.db2.gz MVPFEOWUOPGVOS-ICSRJNTNSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001574921855 1078093003 /nfs/dbraw/zinc/09/30/03/1078093003.db2.gz LONDINNBKYGJFN-KSZLIROESA-N 1 3 360.550 2.978 20 30 FFEDHO CN(CCC#N)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000377625223 512360967 /nfs/dbraw/zinc/36/09/67/512360967.db2.gz IGOYFMOOUWPUND-QFIPXVFZSA-N 1 3 369.557 2.637 20 30 FFEDHO CN(CCC#N)c1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000377625223 512360969 /nfs/dbraw/zinc/36/09/69/512360969.db2.gz IGOYFMOOUWPUND-QFIPXVFZSA-N 1 3 369.557 2.637 20 30 FFEDHO CN(C)CCOc1cccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c1 ZINC000083031081 508233768 /nfs/dbraw/zinc/23/37/68/508233768.db2.gz CMNYYGSGRIEZIM-LJQANCHMSA-N 1 3 368.481 2.555 20 30 FFEDHO CN1CCCN(CCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000083032606 508234272 /nfs/dbraw/zinc/23/42/72/508234272.db2.gz QIEDZKWGEWHDSB-UHFFFAOYSA-N 1 3 367.497 2.843 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106335223 508399391 /nfs/dbraw/zinc/39/93/91/508399391.db2.gz XYLVZYQDPOSMKH-OKZBNKHCSA-N 1 3 350.551 2.693 20 30 FFEDHO C=CCCCCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154129578 508722576 /nfs/dbraw/zinc/72/25/76/508722576.db2.gz SWIXIOHNPVJOBV-UHFFFAOYSA-N 1 3 350.551 2.933 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)C(C)C ZINC000182359888 509194398 /nfs/dbraw/zinc/19/43/98/509194398.db2.gz YBNWAIGLDJQNIY-HSALFYBXSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)C(C)C ZINC000182359888 509194403 /nfs/dbraw/zinc/19/44/03/509194403.db2.gz YBNWAIGLDJQNIY-HSALFYBXSA-N 1 3 362.562 2.811 20 30 FFEDHO C[C@H](NC(=[NH2+])NCCN1CCCN(C)CC1)c1ccc(Cl)cc1Cl ZINC000264074496 509317929 /nfs/dbraw/zinc/31/79/29/509317929.db2.gz FERYLIQUFQYPAV-ZDUSSCGKSA-N 1 3 372.344 2.596 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000247446431 510861109 /nfs/dbraw/zinc/86/11/09/510861109.db2.gz PVZFAELCWYGGOR-HKUYNNGSSA-N 1 3 359.539 2.592 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000247446431 510861110 /nfs/dbraw/zinc/86/11/10/510861110.db2.gz PVZFAELCWYGGOR-HKUYNNGSSA-N 1 3 359.539 2.592 20 30 FFEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000361288512 511027395 /nfs/dbraw/zinc/02/73/95/511027395.db2.gz PWRIRJHZOYCNIB-UHFFFAOYSA-N 1 3 362.562 2.981 20 30 FFEDHO C[C@@H]1CCC[C@@](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000279451318 511087396 /nfs/dbraw/zinc/08/73/96/511087396.db2.gz FZQSDOBOJQBBTA-LKUPVBHCSA-N 1 3 352.482 2.867 20 30 FFEDHO Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000272892106 511510909 /nfs/dbraw/zinc/51/09/09/511510909.db2.gz IWXJFXVEZSRMGU-HXUWFJFHSA-N 1 3 352.482 2.797 20 30 FFEDHO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363888532 511832607 /nfs/dbraw/zinc/83/26/07/511832607.db2.gz MNZLTAXLCKZBQK-LJQANCHMSA-N 1 3 370.541 2.827 20 30 FFEDHO C=CCN1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415977591 513514219 /nfs/dbraw/zinc/51/42/19/513514219.db2.gz WSRWCYUQNRGUNK-UHFFFAOYSA-N 1 3 356.392 2.936 20 30 FFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331389 514096960 /nfs/dbraw/zinc/09/69/60/514096960.db2.gz QRLXMSBCZAEKBI-RCCFBDPRSA-N 1 3 361.555 2.973 20 30 FFEDHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481915597 515513188 /nfs/dbraw/zinc/51/31/88/515513188.db2.gz CKSYBKLUSUONBN-OAQYLSRUSA-N 1 3 368.525 2.858 20 30 FFEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522909 519197603 /nfs/dbraw/zinc/19/76/03/519197603.db2.gz GNOBCIOSBKHPHR-QGZVFWFLSA-N 1 3 362.543 2.572 20 30 FFEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N(C)CCC#N)C2)s1 ZINC000574522909 519197607 /nfs/dbraw/zinc/19/76/07/519197607.db2.gz GNOBCIOSBKHPHR-QGZVFWFLSA-N 1 3 362.543 2.572 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)nc1 ZINC000590594927 519280306 /nfs/dbraw/zinc/28/03/06/519280306.db2.gz SZAQFWIOORANIL-UHFFFAOYSA-N 1 3 362.481 2.576 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000598217735 520499706 /nfs/dbraw/zinc/49/97/06/520499706.db2.gz AOHWXTYGKKLORL-RTBURBONSA-N 1 3 350.466 2.764 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000598217735 520499712 /nfs/dbraw/zinc/49/97/12/520499712.db2.gz AOHWXTYGKKLORL-RTBURBONSA-N 1 3 350.466 2.764 20 30 FFEDHO CC1([NH+]2CCCC2)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000601740988 520929110 /nfs/dbraw/zinc/92/91/10/520929110.db2.gz YXSZYNVZKGERDH-IBGZPJMESA-N 1 3 350.466 2.717 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599360945 521174097 /nfs/dbraw/zinc/17/40/97/521174097.db2.gz XZNVPXSINUDIOD-XKGZKEIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599360945 521174102 /nfs/dbraw/zinc/17/41/02/521174102.db2.gz XZNVPXSINUDIOD-XKGZKEIXSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000599360945 521174106 /nfs/dbraw/zinc/17/41/06/521174106.db2.gz XZNVPXSINUDIOD-XKGZKEIXSA-N 1 3 357.498 2.541 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC(F)(F)F ZINC000303880094 729735336 /nfs/dbraw/zinc/73/53/36/729735336.db2.gz KAUAPMXCITWSHI-CQSZACIVSA-N 1 3 358.408 2.516 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)c(Br)c1 ZINC000303892029 729735575 /nfs/dbraw/zinc/73/55/75/729735575.db2.gz RDOCOZIQWNZFOW-ZDUSSCGKSA-N 1 3 371.298 2.519 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000876896628 732293667 /nfs/dbraw/zinc/29/36/67/732293667.db2.gz JPSWTCZRWSOKMU-KRWDZBQOSA-N 1 3 350.894 2.625 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000741249210 735127618 /nfs/dbraw/zinc/12/76/18/735127618.db2.gz FCZBWGHZKXRDAL-HUUCEWRRSA-N 1 3 356.495 2.746 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741249210 735127620 /nfs/dbraw/zinc/12/76/20/735127620.db2.gz FCZBWGHZKXRDAL-HUUCEWRRSA-N 1 3 356.495 2.746 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067278 971445159 /nfs/dbraw/zinc/44/51/59/971445159.db2.gz VDWWTZNHYWFSCY-KBAYOESNSA-N 1 3 355.954 2.934 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000123337979 971705328 /nfs/dbraw/zinc/70/53/28/971705328.db2.gz QWYNIQBLBKMWGA-UHFFFAOYSA-N 1 3 368.525 2.501 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C(F)(F)F ZINC001112137729 964701678 /nfs/dbraw/zinc/70/16/78/964701678.db2.gz AVWRMPOOLCTRDV-HUUCEWRRSA-N 1 3 361.452 2.806 20 30 FFEDHO C[C@H](NCc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101869 965773346 /nfs/dbraw/zinc/77/33/46/965773346.db2.gz PKGCNCMVHPINGU-CSODHUTKSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@H](NCc1ccccc1C#N)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101869 965773362 /nfs/dbraw/zinc/77/33/62/965773362.db2.gz PKGCNCMVHPINGU-CSODHUTKSA-N 1 3 368.525 2.615 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001023371931 967754117 /nfs/dbraw/zinc/75/41/17/967754117.db2.gz ITQWJZVAINZFIE-PCCBWWKXSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001023371931 967754124 /nfs/dbraw/zinc/75/41/24/967754124.db2.gz ITQWJZVAINZFIE-PCCBWWKXSA-N 1 3 368.525 2.617 20 30 FFEDHO CO[C@]1(C)C[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000262510892 968178062 /nfs/dbraw/zinc/17/80/62/968178062.db2.gz CZTCPBAWKBBNKZ-GHTZIAJQSA-N 1 3 358.530 2.759 20 30 FFEDHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001087435894 976988130 /nfs/dbraw/zinc/98/81/30/976988130.db2.gz MEEROQMALBNJBE-VXSCBNMQSA-N 1 3 367.537 2.714 20 30 FFEDHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001087435894 976988138 /nfs/dbraw/zinc/98/81/38/976988138.db2.gz MEEROQMALBNJBE-VXSCBNMQSA-N 1 3 367.537 2.714 20 30 FFEDHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2)N(C)C ZINC001107553721 984684636 /nfs/dbraw/zinc/68/46/36/984684636.db2.gz MQWGVMCEQZYUGT-TUNNFDKTSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2)N(C)C ZINC001107553721 984684641 /nfs/dbraw/zinc/68/46/41/984684641.db2.gz MQWGVMCEQZYUGT-TUNNFDKTSA-N 1 3 368.525 2.759 20 30 FFEDHO Cn1cccc1C(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000171233631 985249130 /nfs/dbraw/zinc/24/91/30/985249130.db2.gz BUHYJNOJKTYHOW-UHFFFAOYSA-N 1 3 354.454 2.531 20 30 FFEDHO Cn1cccc1C(O)=CONC(=N)c1ccccc1C[NH+]1CCCCC1 ZINC000171233631 985249137 /nfs/dbraw/zinc/24/91/37/985249137.db2.gz BUHYJNOJKTYHOW-UHFFFAOYSA-N 1 3 354.454 2.531 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)c(C)c3)[C@@H]2C)CC1 ZINC001089059266 986138926 /nfs/dbraw/zinc/13/89/26/986138926.db2.gz GPEHGKOMBFFMHR-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)[C@@H]2C)CC1 ZINC001089059266 986138930 /nfs/dbraw/zinc/13/89/30/986138930.db2.gz GPEHGKOMBFFMHR-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497736 987776337 /nfs/dbraw/zinc/77/63/37/987776337.db2.gz VALDAIOMXMCZHG-HSALFYBXSA-N 1 3 365.562 2.669 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497736 987776344 /nfs/dbraw/zinc/77/63/44/987776344.db2.gz VALDAIOMXMCZHG-HSALFYBXSA-N 1 3 365.562 2.669 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497737 987776572 /nfs/dbraw/zinc/77/65/72/987776572.db2.gz VALDAIOMXMCZHG-VAMGGRTRSA-N 1 3 365.562 2.669 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497737 987776578 /nfs/dbraw/zinc/77/65/78/987776578.db2.gz VALDAIOMXMCZHG-VAMGGRTRSA-N 1 3 365.562 2.669 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1F ZINC001079298752 991987106 /nfs/dbraw/zinc/98/71/06/991987106.db2.gz FGWHORRWQGGNGX-DFQSSKMNSA-N 1 3 359.489 2.626 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@H]2C)CC1 ZINC001080997457 993547845 /nfs/dbraw/zinc/54/78/45/993547845.db2.gz DZYJTOHTDBKBTB-WOIUINJBSA-N 1 3 367.537 2.838 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@H]2C)CC1 ZINC001080997457 993547852 /nfs/dbraw/zinc/54/78/52/993547852.db2.gz DZYJTOHTDBKBTB-WOIUINJBSA-N 1 3 367.537 2.838 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001086695440 995154725 /nfs/dbraw/zinc/15/47/25/995154725.db2.gz QVALOBJBYZDKQH-WMQCIHAUSA-N 1 3 368.525 2.806 20 30 FFEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001086695440 995154732 /nfs/dbraw/zinc/15/47/32/995154732.db2.gz QVALOBJBYZDKQH-WMQCIHAUSA-N 1 3 368.525 2.806 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3ccccc3F)C2)CC1 ZINC001082941132 995866597 /nfs/dbraw/zinc/86/65/97/995866597.db2.gz RUIINLNJTASRJP-CBGDNZLLSA-N 1 3 371.500 2.668 20 30 FFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001085331808 999376529 /nfs/dbraw/zinc/37/65/29/999376529.db2.gz AOVLEYSJGSRXNL-RKVPGOIHSA-N 1 3 359.917 2.968 20 30 FFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085331808 999376534 /nfs/dbraw/zinc/37/65/34/999376534.db2.gz AOVLEYSJGSRXNL-RKVPGOIHSA-N 1 3 359.917 2.968 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3F)C2)CC1 ZINC001086882315 1001300088 /nfs/dbraw/zinc/30/00/88/1001300088.db2.gz LGUOXQPPSRNERV-FXAWDEMLSA-N 1 3 371.500 2.545 20 30 FFEDHO CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2ccccc2C#N)C1 ZINC001112557587 1001468299 /nfs/dbraw/zinc/46/82/99/1001468299.db2.gz OBHFBWBWHOJONU-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNCc2ccccc2C#N)C1 ZINC001112557587 1001468300 /nfs/dbraw/zinc/46/83/00/1001468300.db2.gz OBHFBWBWHOJONU-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001112586385 1001538307 /nfs/dbraw/zinc/53/83/07/1001538307.db2.gz XFWKTQVEZYMRMY-UNMCSNQZSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)N1CCCC1 ZINC001180586364 1009762091 /nfs/dbraw/zinc/76/20/91/1009762091.db2.gz QOLZWMKMZPWQRF-NSISKUIASA-N 1 3 354.498 2.641 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001093223547 1010166221 /nfs/dbraw/zinc/16/62/21/1010166221.db2.gz BCERUYSKKHDBQM-WIYYLYMNSA-N 1 3 357.542 2.516 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001093223547 1010166231 /nfs/dbraw/zinc/16/62/31/1010166231.db2.gz BCERUYSKKHDBQM-WIYYLYMNSA-N 1 3 357.542 2.516 20 30 FFEDHO CC(C)CCNC(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000303877748 1012477336 /nfs/dbraw/zinc/47/73/36/1012477336.db2.gz FOXKUZJKDQWHQJ-UHFFFAOYSA-N 1 3 359.562 2.535 20 30 FFEDHO C=CCN1CCC(N(Cc2ccccn2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001048627221 1020379299 /nfs/dbraw/zinc/37/92/99/1020379299.db2.gz HFZUKYZXYZKDPO-LEWJYISDSA-N 1 3 370.541 2.791 20 30 FFEDHO C=CCN1CCC(N(Cc2ccccn2)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001048627221 1020379309 /nfs/dbraw/zinc/37/93/09/1020379309.db2.gz HFZUKYZXYZKDPO-LEWJYISDSA-N 1 3 370.541 2.791 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295702 1022247163 /nfs/dbraw/zinc/24/71/63/1022247163.db2.gz PIAOBTZJPIZUEG-ARFHVFGLSA-N 1 3 361.452 2.663 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295702 1022247178 /nfs/dbraw/zinc/24/71/78/1022247178.db2.gz PIAOBTZJPIZUEG-ARFHVFGLSA-N 1 3 361.452 2.663 20 30 FFEDHO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001276301639 1024033681 /nfs/dbraw/zinc/03/36/81/1024033681.db2.gz BWJQDBBCNUOUAE-PWRODBHTSA-N 1 3 353.510 2.760 20 30 FFEDHO C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001276301639 1024033695 /nfs/dbraw/zinc/03/36/95/1024033695.db2.gz BWJQDBBCNUOUAE-PWRODBHTSA-N 1 3 353.510 2.760 20 30 FFEDHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001102103245 1025427937 /nfs/dbraw/zinc/42/79/37/1025427937.db2.gz KQYRHIKAJTYUTC-HUUCEWRRSA-N 1 3 362.543 2.534 20 30 FFEDHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001102103245 1025427943 /nfs/dbraw/zinc/42/79/43/1025427943.db2.gz KQYRHIKAJTYUTC-HUUCEWRRSA-N 1 3 362.543 2.534 20 30 FFEDHO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001102599274 1026396815 /nfs/dbraw/zinc/39/68/15/1026396815.db2.gz WJBTVGCPSLIHCU-IFMALSPDSA-N 1 3 367.537 2.598 20 30 FFEDHO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000719927853 1026702849 /nfs/dbraw/zinc/70/28/49/1026702849.db2.gz VAYQKNBHRKPASL-UXHICEINSA-N 1 3 356.514 2.911 20 30 FFEDHO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000719927853 1026702859 /nfs/dbraw/zinc/70/28/59/1026702859.db2.gz VAYQKNBHRKPASL-UXHICEINSA-N 1 3 356.514 2.911 20 30 FFEDHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000719927853 1026702871 /nfs/dbraw/zinc/70/28/71/1026702871.db2.gz VAYQKNBHRKPASL-UXHICEINSA-N 1 3 356.514 2.911 20 30 FFEDHO CN1CCC(N(c2ccc(C3(C#N)CCC3)cn2)C2CC[NH2+]CC2)CC1 ZINC001158581434 1027066210 /nfs/dbraw/zinc/06/62/10/1027066210.db2.gz SVYDWNFOWQCXEH-UHFFFAOYSA-N 1 3 353.514 2.679 20 30 FFEDHO CC(C)[N@@H+]1CC[C@H](Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001163373179 1028909152 /nfs/dbraw/zinc/90/91/52/1028909152.db2.gz YKSPXERZCQTCCS-OAGGEKHMSA-N 1 3 373.501 2.956 20 30 FFEDHO CC(C)[N@H+]1CC[C@H](Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001163373179 1028909166 /nfs/dbraw/zinc/90/91/66/1028909166.db2.gz YKSPXERZCQTCCS-OAGGEKHMSA-N 1 3 373.501 2.956 20 30 FFEDHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001157803905 1029667427 /nfs/dbraw/zinc/66/74/27/1029667427.db2.gz XACGISOCGQKTNO-ILXRZTDVSA-N 1 3 359.474 2.710 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C(F)(F)F ZINC001112213513 1030255063 /nfs/dbraw/zinc/25/50/63/1030255063.db2.gz MYIQSBRYAUEKFX-OAGGEKHMSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CCn1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001139771445 1035226577 /nfs/dbraw/zinc/22/65/77/1035226577.db2.gz CMROBVIBWKZECJ-UHFFFAOYSA-N 1 3 351.498 2.952 20 30 FFEDHO C=CCn1cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001139771445 1035226579 /nfs/dbraw/zinc/22/65/79/1035226579.db2.gz CMROBVIBWKZECJ-UHFFFAOYSA-N 1 3 351.498 2.952 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434612 1040547802 /nfs/dbraw/zinc/54/78/02/1040547802.db2.gz ITRAFYLLUUCAML-GUDVDZBRSA-N 1 3 355.567 2.893 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214855988 1041595627 /nfs/dbraw/zinc/59/56/27/1041595627.db2.gz TWKAHMDNLVBJIH-BAGYTPMASA-N 1 3 367.537 2.738 20 30 FFEDHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214855988 1041595636 /nfs/dbraw/zinc/59/56/36/1041595636.db2.gz TWKAHMDNLVBJIH-BAGYTPMASA-N 1 3 367.537 2.738 20 30 FFEDHO Cc1ncc(CN[C@@]23CC[C@@]([NH2+]Cc4cc(C#N)n(C)c4)(C2)CCC3)[nH]1 ZINC001279604618 1043325964 /nfs/dbraw/zinc/32/59/64/1043325964.db2.gz SGWGXIBVKQNXPT-UXHICEINSA-N 1 3 352.486 2.653 20 30 FFEDHO C=C(C)[C@@H]1CC=C(CN2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001280234018 1044438639 /nfs/dbraw/zinc/43/86/39/1044438639.db2.gz AKIBCMPDKJGFLW-QUCCMNQESA-N 1 3 357.542 2.821 20 30 FFEDHO C=CCCC[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001357403774 1055893363 /nfs/dbraw/zinc/89/33/63/1055893363.db2.gz GCUJKJPRKTXNSL-MJGOQNOKSA-N 1 3 359.514 2.686 20 30 FFEDHO N#Cc1csc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC001474180819 1065467304 /nfs/dbraw/zinc/46/73/04/1065467304.db2.gz OOSKTOSFSILGHF-UHFFFAOYSA-N 1 3 368.506 2.607 20 30 FFEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001564847988 1076664437 /nfs/dbraw/zinc/66/44/37/1076664437.db2.gz XSMXEGWARPYMLX-OAQYLSRUSA-N 1 3 370.541 2.686 20 30 FFEDHO C#CCN(C)CCCNC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001564847988 1076664438 /nfs/dbraw/zinc/66/44/38/1076664438.db2.gz XSMXEGWARPYMLX-OAQYLSRUSA-N 1 3 370.541 2.686 20 30 FFEDHO C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001565986998 1076831195 /nfs/dbraw/zinc/83/11/95/1076831195.db2.gz XFXNZKKXXWJAOZ-DBXWQHBBSA-N 1 3 365.537 2.829 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000074132502 507989828 /nfs/dbraw/zinc/98/98/28/507989828.db2.gz FDZWHVNGTUIQOR-FQEVSTJZSA-N 1 3 356.514 2.553 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000074132502 507989831 /nfs/dbraw/zinc/98/98/31/507989831.db2.gz FDZWHVNGTUIQOR-FQEVSTJZSA-N 1 3 356.514 2.553 20 30 FFEDHO CN1CCC(O)(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000077450221 508317450 /nfs/dbraw/zinc/31/74/50/508317450.db2.gz VGKDBEOQQJFHGZ-UHFFFAOYSA-N 1 3 365.477 2.684 20 30 FFEDHO C#CCN1CCC(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000116065490 508468190 /nfs/dbraw/zinc/46/81/90/508468190.db2.gz JMYQLLOOXLDDHZ-GOSISDBHSA-N 1 3 353.510 2.673 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)C(C)C ZINC000119704737 508847411 /nfs/dbraw/zinc/84/74/11/508847411.db2.gz IUEDSTTYZVTEKC-HXUWFJFHSA-N 1 3 362.562 2.955 20 30 FFEDHO Cc1ccc(NC(=[NH2+])NCc2cccc(C(=O)NCCN(C)C)c2)cc1C ZINC000264099043 509329130 /nfs/dbraw/zinc/32/91/30/509329130.db2.gz NPXRRCVNEMEDSP-UHFFFAOYSA-N 1 3 367.497 2.522 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000176598445 509604070 /nfs/dbraw/zinc/60/40/70/509604070.db2.gz NVMIVLJRHPFZRB-XLIONFOSSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000176598445 509604072 /nfs/dbraw/zinc/60/40/72/509604072.db2.gz NVMIVLJRHPFZRB-XLIONFOSSA-N 1 3 356.514 2.599 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176630216 509618622 /nfs/dbraw/zinc/61/86/22/509618622.db2.gz COWQNNYBFQRDQQ-WOJBJXKFSA-N 1 3 371.529 2.504 20 30 FFEDHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280762206 511592572 /nfs/dbraw/zinc/59/25/72/511592572.db2.gz ISFXQXLGSUXDFF-XLIONFOSSA-N 1 3 352.482 2.869 20 30 FFEDHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280762206 511592575 /nfs/dbraw/zinc/59/25/75/511592575.db2.gz ISFXQXLGSUXDFF-XLIONFOSSA-N 1 3 352.482 2.869 20 30 FFEDHO C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374318385 512763659 /nfs/dbraw/zinc/76/36/59/512763659.db2.gz QQNNJWZGWPSOOH-GHTZIAJQSA-N 1 3 354.542 2.946 20 30 FFEDHO COc1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000397556930 512947964 /nfs/dbraw/zinc/94/79/64/512947964.db2.gz NUNXJNFFSSUFMZ-UHFFFAOYSA-N 1 3 365.477 2.684 20 30 FFEDHO CN1CCN(CC2(C)CC[NH+](CCCOc3cccc(C#N)c3)CC2)CC1 ZINC000368826621 513116169 /nfs/dbraw/zinc/11/61/69/513116169.db2.gz WKKHOIJYOBPFJE-UHFFFAOYSA-N 1 3 370.541 2.677 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431948165 514049007 /nfs/dbraw/zinc/04/90/07/514049007.db2.gz DDLQLENCMQJCIE-HKUYNNGSSA-N 1 3 350.551 2.837 20 30 FFEDHO CC(C)(CCC#N)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414549730 514174293 /nfs/dbraw/zinc/17/42/93/514174293.db2.gz BVEMULXSRJJTIM-UHFFFAOYSA-N 1 3 356.514 2.803 20 30 FFEDHO CC[NH+]1CCC(N2CCCN(Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000420976340 514414315 /nfs/dbraw/zinc/41/43/15/514414315.db2.gz GVLQTUMATMLEDI-UHFFFAOYSA-N 1 3 365.525 2.803 20 30 FFEDHO C=CCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000415118971 514450826 /nfs/dbraw/zinc/45/08/26/514450826.db2.gz DXAUJUMOKULIFC-AZUAARDMSA-N 1 3 360.498 2.978 20 30 FFEDHO C=CCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000415118979 514451208 /nfs/dbraw/zinc/45/12/08/514451208.db2.gz DXAUJUMOKULIFC-UYAOXDASSA-N 1 3 360.498 2.978 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)C(C)C ZINC000480542830 514992518 /nfs/dbraw/zinc/99/25/18/514992518.db2.gz ARAALSISYPOURC-SLFFLAALSA-N 1 3 362.562 2.953 20 30 FFEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)C(C)C ZINC000503396638 515018641 /nfs/dbraw/zinc/01/86/41/515018641.db2.gz XRBMAAHSMNPBOC-HXUWFJFHSA-N 1 3 362.562 2.955 20 30 FFEDHO C[C@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000573713153 518800052 /nfs/dbraw/zinc/80/00/52/518800052.db2.gz UBGKYKJXHMGEQW-KRWDZBQOSA-N 1 3 363.527 2.576 20 30 FFEDHO C[C@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000573713153 518800056 /nfs/dbraw/zinc/80/00/56/518800056.db2.gz UBGKYKJXHMGEQW-KRWDZBQOSA-N 1 3 363.527 2.576 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000594437650 519964246 /nfs/dbraw/zinc/96/42/46/519964246.db2.gz KIIOLCKLCQCJLB-IRLDBZIGSA-N 1 3 368.525 2.912 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000594437650 519964257 /nfs/dbraw/zinc/96/42/57/519964257.db2.gz KIIOLCKLCQCJLB-IRLDBZIGSA-N 1 3 368.525 2.912 20 30 FFEDHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000594443776 519969529 /nfs/dbraw/zinc/96/95/29/519969529.db2.gz UPPZZPKQXRUGMM-HOJAQTOUSA-N 1 3 356.514 2.815 20 30 FFEDHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594443776 519969535 /nfs/dbraw/zinc/96/95/35/519969535.db2.gz UPPZZPKQXRUGMM-HOJAQTOUSA-N 1 3 356.514 2.815 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595259366 520377034 /nfs/dbraw/zinc/37/70/34/520377034.db2.gz LHFSOTYBTTXBGJ-VQTJNVASSA-N 1 3 368.525 2.816 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595259366 520377039 /nfs/dbraw/zinc/37/70/39/520377039.db2.gz LHFSOTYBTTXBGJ-VQTJNVASSA-N 1 3 368.525 2.816 20 30 FFEDHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2C#N)c1 ZINC000600717517 520419372 /nfs/dbraw/zinc/41/93/72/520419372.db2.gz BNPVZPAUKLQUJP-FQEVSTJZSA-N 1 3 353.466 2.539 20 30 FFEDHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2C#N)c1 ZINC000600717517 520419377 /nfs/dbraw/zinc/41/93/77/520419377.db2.gz BNPVZPAUKLQUJP-FQEVSTJZSA-N 1 3 353.466 2.539 20 30 FFEDHO COCCN(C)CCCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303889911 729735611 /nfs/dbraw/zinc/73/56/11/729735611.db2.gz MHGZILXZPNFCIL-GFCCVEGCSA-N 1 3 361.317 2.927 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CSc1ccccc1OC ZINC000303975270 729736145 /nfs/dbraw/zinc/73/61/45/729736145.db2.gz IZZKZAWKOVNLOQ-CVEARBPZSA-N 1 3 364.559 2.812 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000876716426 732271476 /nfs/dbraw/zinc/27/14/76/732271476.db2.gz XOJOHRVHCVCLLV-DLBZAZTESA-N 1 3 353.894 2.664 20 30 FFEDHO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000832778107 745753716 /nfs/dbraw/zinc/75/37/16/745753716.db2.gz IBIIRHJKMVRPLK-LSDHHAIUSA-N 1 3 356.495 2.887 20 30 FFEDHO CC(C)[N@H+]1CC[C@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000832778107 745753722 /nfs/dbraw/zinc/75/37/22/745753722.db2.gz IBIIRHJKMVRPLK-LSDHHAIUSA-N 1 3 356.495 2.887 20 30 FFEDHO [NH2+]=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CCCCCC1 ZINC000305080007 1013079514 /nfs/dbraw/zinc/07/95/14/1013079514.db2.gz RVXZRMRPXGZJQA-UHFFFAOYSA-N 1 3 371.573 2.775 20 30 FFEDHO CN(C)/C=N/c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1C#N ZINC001167374652 962486858 /nfs/dbraw/zinc/48/68/58/962486858.db2.gz PRHXKFAIRDYKNY-LFVJCYFKSA-N 1 3 363.465 2.514 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000891521525 964424136 /nfs/dbraw/zinc/42/41/36/964424136.db2.gz ICDFUNVTDFSDOU-YLJYHZDGSA-N 1 3 362.562 2.966 20 30 FFEDHO CC[NH+]=C(NCC1(N(C)C)CCCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261956150 964996016 /nfs/dbraw/zinc/99/60/16/964996016.db2.gz IUKADZQGRMZLHF-ROUUACIJSA-N 1 3 360.550 2.606 20 30 FFEDHO C#CCCCN1CC2(CCN2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001279239487 969262734 /nfs/dbraw/zinc/26/27/34/969262734.db2.gz VQPKJSOSWJEICF-UHFFFAOYSA-N 1 3 355.526 2.691 20 30 FFEDHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001104639301 970007427 /nfs/dbraw/zinc/00/74/27/970007427.db2.gz NYWPAXYGYMIQHF-DUXKGJEZSA-N 1 3 370.541 2.719 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211735974 977673315 /nfs/dbraw/zinc/67/33/15/977673315.db2.gz ALYKLKJTWLKAFZ-FCHUYYIVSA-N 1 3 367.537 2.860 20 30 FFEDHO c1coc(CCNC(=[NH+]C2CCOCC2)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000262655088 979500952 /nfs/dbraw/zinc/50/09/52/979500952.db2.gz KMRBXEQDEVAWEA-IBGZPJMESA-N 1 3 374.529 2.507 20 30 FFEDHO C#CCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCN(C)CC1 ZINC000921162770 990992630 /nfs/dbraw/zinc/99/26/30/990992630.db2.gz XBGKOZSGBCUTAO-LJQANCHMSA-N 1 3 370.541 2.636 20 30 FFEDHO C#CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CCN(C)CC1 ZINC000921162770 990992639 /nfs/dbraw/zinc/99/26/39/990992639.db2.gz XBGKOZSGBCUTAO-LJQANCHMSA-N 1 3 370.541 2.636 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001107036690 993286336 /nfs/dbraw/zinc/28/63/36/993286336.db2.gz PKHUXCMJOIYOTR-FCEUIQTBSA-N 1 3 367.537 2.597 20 30 FFEDHO C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC001131578417 994416968 /nfs/dbraw/zinc/41/69/68/994416968.db2.gz WTMUCMOAHBXQLY-CTNGQTDRSA-N 1 3 365.562 2.670 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3ccccc3F)C2)CC1 ZINC001082941133 995866843 /nfs/dbraw/zinc/86/68/43/995866843.db2.gz RUIINLNJTASRJP-LLGFUMIMSA-N 1 3 371.500 2.668 20 30 FFEDHO C=CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OC ZINC001201417378 1005211794 /nfs/dbraw/zinc/21/17/94/1005211794.db2.gz WTSQQXIGZUZYSC-RTBURBONSA-N 1 3 360.498 2.727 20 30 FFEDHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001488961181 1005380203 /nfs/dbraw/zinc/38/02/03/1005380203.db2.gz FPSWQRLYJKBPDZ-HDMKZQKVSA-N 1 3 362.543 2.580 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357709 1005810794 /nfs/dbraw/zinc/81/07/94/1005810794.db2.gz SLDBPSQKZHRIOW-LAUBAEHRSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357709 1005810796 /nfs/dbraw/zinc/81/07/96/1005810796.db2.gz SLDBPSQKZHRIOW-LAUBAEHRSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884378317 1007400835 /nfs/dbraw/zinc/40/08/35/1007400835.db2.gz OSOPQSAFHVSNAZ-QIYGCADZSA-N 1 3 372.557 2.629 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CC3(C2)CNC[C@@H]3C#N)CC1 ZINC000884378317 1007400837 /nfs/dbraw/zinc/40/08/37/1007400837.db2.gz OSOPQSAFHVSNAZ-QIYGCADZSA-N 1 3 372.557 2.629 20 30 FFEDHO Cc1nc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]c1C ZINC000886664235 1008803363 /nfs/dbraw/zinc/80/33/63/1008803363.db2.gz GUPIUUPVLCLQED-IBGZPJMESA-N 1 3 363.465 2.883 20 30 FFEDHO C[NH+]1CCC(N2CCC(Nc3cc(C(F)(F)F)cc(C#N)n3)CC2)CC1 ZINC000865484341 1010796130 /nfs/dbraw/zinc/79/61/30/1010796130.db2.gz GJXMQSUZJSHKSA-UHFFFAOYSA-N 1 3 367.419 2.943 20 30 FFEDHO CCCCCCNC(=[NH2+])NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000303894119 1012503696 /nfs/dbraw/zinc/50/36/96/1012503696.db2.gz OQHSKENXWNGAJG-UHFFFAOYSA-N 1 3 359.562 2.809 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C(F)(F)F ZINC001099327253 1022300744 /nfs/dbraw/zinc/30/07/44/1022300744.db2.gz CZINBCOZBOJVIR-HZPDHXFCSA-N 1 3 361.452 2.662 20 30 FFEDHO CC[NH+](CC)CC[C@@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC001122591476 1023356652 /nfs/dbraw/zinc/35/66/52/1023356652.db2.gz LCEIGNIGKYDBPQ-LNSLMDJYSA-N 1 3 368.525 2.715 20 30 FFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246717087 1026372573 /nfs/dbraw/zinc/37/25/73/1026372573.db2.gz FPPRCYDJWPACDX-MAODMQOUSA-N 1 3 357.498 2.835 20 30 FFEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001160569568 1027754811 /nfs/dbraw/zinc/75/48/11/1027754811.db2.gz SBCPQVRDAMHOPO-NRFANRHFSA-N 1 3 370.541 2.835 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H](C)CCC=C)C3)CC1 ZINC001112004171 1029852454 /nfs/dbraw/zinc/85/24/54/1029852454.db2.gz OBJJDLLSRFSCMT-CBQOVEMMSA-N 1 3 357.542 2.657 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](C)CCC=C)C3)CC1 ZINC001112004171 1029852460 /nfs/dbraw/zinc/85/24/60/1029852460.db2.gz OBJJDLLSRFSCMT-CBQOVEMMSA-N 1 3 357.542 2.657 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1c1ccc(F)cc1 ZINC001205312962 1031664603 /nfs/dbraw/zinc/66/46/03/1031664603.db2.gz KUHVFGYXNXIAKO-RBUKOAKNSA-N 1 3 356.445 2.642 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1c1cccc(F)c1 ZINC001205458843 1031763454 /nfs/dbraw/zinc/76/34/54/1031763454.db2.gz XVISZAIXZGIVEA-LEWJYISDSA-N 1 3 371.500 2.609 20 30 FFEDHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001214634774 1041513298 /nfs/dbraw/zinc/51/32/98/1041513298.db2.gz VQWBZWPCWYACRA-TZIWHRDSSA-N 1 3 367.537 2.739 20 30 FFEDHO CN(C)CC[N@H+]1CC[C@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@H]2CC1 ZINC001279391815 1043046688 /nfs/dbraw/zinc/04/66/88/1043046688.db2.gz IHLHRBGBDPVRIQ-CALCHBBNSA-N 1 3 362.468 2.542 20 30 FFEDHO CN(C)CC[N@@H+]1CC[C@H]2CN(Cc3c(F)cc(C#N)cc3F)C[C@H]2CC1 ZINC001279391815 1043046695 /nfs/dbraw/zinc/04/66/95/1043046695.db2.gz IHLHRBGBDPVRIQ-CALCHBBNSA-N 1 3 362.468 2.542 20 30 FFEDHO CCc1cc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)ccc1C#N ZINC001280217638 1044411566 /nfs/dbraw/zinc/41/15/66/1044411566.db2.gz PPUQWYCGCVXFDH-JOCHJYFZSA-N 1 3 354.542 2.970 20 30 FFEDHO CCc1cc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)ccc1C#N ZINC001280217638 1044411573 /nfs/dbraw/zinc/41/15/73/1044411573.db2.gz PPUQWYCGCVXFDH-JOCHJYFZSA-N 1 3 354.542 2.970 20 30 FFEDHO CN(C)CCC[N@@H+]1CCC[C@@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280220859 1044415288 /nfs/dbraw/zinc/41/52/88/1044415288.db2.gz JYSKPIKJSPAHDQ-OAQYLSRUSA-N 1 3 357.546 2.526 20 30 FFEDHO CN(C)CCC[N@H+]1CCC[C@@]2(CCCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280220859 1044415290 /nfs/dbraw/zinc/41/52/90/1044415290.db2.gz JYSKPIKJSPAHDQ-OAQYLSRUSA-N 1 3 357.546 2.526 20 30 FFEDHO Cc1cc(C(C#N)C(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)nc(C)n1 ZINC001341932601 1050530019 /nfs/dbraw/zinc/53/00/19/1050530019.db2.gz ZALVKBXXSRHZHM-VQFGERMISA-N 1 3 364.449 2.924 20 30 FFEDHO C=C(Cl)CNCCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001491900733 1050679683 /nfs/dbraw/zinc/67/96/83/1050679683.db2.gz VILFVZCNYMCYND-RBUKOAKNSA-N 1 3 363.933 2.918 20 30 FFEDHO C=C(Cl)CNCCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001491900733 1050679684 /nfs/dbraw/zinc/67/96/84/1050679684.db2.gz VILFVZCNYMCYND-RBUKOAKNSA-N 1 3 363.933 2.918 20 30 FFEDHO C=CCc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc(OC)c1O ZINC001461349067 1061298474 /nfs/dbraw/zinc/29/84/74/1061298474.db2.gz YUTWMWZURBSPCW-OALUTQOASA-N 1 3 360.498 2.597 20 30 FFEDHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001479457260 1062425719 /nfs/dbraw/zinc/42/57/19/1062425719.db2.gz FPSWQRLYJKBPDZ-DAYGRLMNSA-N 1 3 362.543 2.580 20 30 FFEDHO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC[NH2+]2)n1CCN1CCCC1 ZINC001575573300 1078154744 /nfs/dbraw/zinc/15/47/44/1078154744.db2.gz XUBZVSJKIQGLMP-SFHVURJKSA-N 1 3 373.549 2.565 20 30 FFEDHO CC(C)N(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC001575680912 1078163424 /nfs/dbraw/zinc/16/34/24/1078163424.db2.gz DEMWVVADKDKMQK-PMACEKPBSA-N 1 3 356.514 2.909 20 30 FFEDHO N#Cc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000076331094 508187733 /nfs/dbraw/zinc/18/77/33/508187733.db2.gz IRGOMPTZLABECQ-UHFFFAOYSA-N 1 3 362.477 2.674 20 30 FFEDHO N#CCCCOc1cccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000076762239 508252094 /nfs/dbraw/zinc/25/20/94/508252094.db2.gz WLALDWVSBCCZJM-IBGZPJMESA-N 1 3 357.498 2.960 20 30 FFEDHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000156658087 508457836 /nfs/dbraw/zinc/45/78/36/508457836.db2.gz NRDQDYSBWXNFAW-HMFYCAOWSA-N 1 3 371.525 2.803 20 30 FFEDHO C=CCC[C@@H](O)CN1CCC[C@@]2(CCC[N@H+](C[C@@H](O)CCC=C)C2)C1 ZINC000377728499 512422391 /nfs/dbraw/zinc/42/23/91/512422391.db2.gz UQDOOALNXMEQOA-QHAWAJNXSA-N 1 3 350.547 2.819 20 30 FFEDHO C=CCC[C@@H](O)CN1CCC[C@@]2(CCC[N@@H+](C[C@@H](O)CCC=C)C2)C1 ZINC000377728499 512422397 /nfs/dbraw/zinc/42/23/97/512422397.db2.gz UQDOOALNXMEQOA-QHAWAJNXSA-N 1 3 350.547 2.819 20 30 FFEDHO C=CCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCCN(C[C@@H](O)CCC=C)C2)C1 ZINC000377728499 512422401 /nfs/dbraw/zinc/42/24/01/512422401.db2.gz UQDOOALNXMEQOA-QHAWAJNXSA-N 1 3 350.547 2.819 20 30 FFEDHO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCN(C[C@@H](O)CCC=C)C2)C1 ZINC000377728499 512422405 /nfs/dbraw/zinc/42/24/05/512422405.db2.gz UQDOOALNXMEQOA-QHAWAJNXSA-N 1 3 350.547 2.819 20 30 FFEDHO COc1ccc(NC(=[NH2+])NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000267437588 509483307 /nfs/dbraw/zinc/48/33/07/509483307.db2.gz OCLXRTBFMWFMPL-UHFFFAOYSA-N 1 3 368.481 2.579 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249474172 509688792 /nfs/dbraw/zinc/68/87/92/509688792.db2.gz UZHRNOKGSFQLFN-PXNSSMCTSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249474172 509688798 /nfs/dbraw/zinc/68/87/98/509688798.db2.gz UZHRNOKGSFQLFN-PXNSSMCTSA-N 1 3 372.513 2.613 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000245678841 510079862 /nfs/dbraw/zinc/07/98/62/510079862.db2.gz GFAKZSGNXBZNJA-GUDVDZBRSA-N 1 3 350.551 2.809 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000245678841 510079870 /nfs/dbraw/zinc/07/98/70/510079870.db2.gz GFAKZSGNXBZNJA-GUDVDZBRSA-N 1 3 350.551 2.809 20 30 FFEDHO COc1cccc(NC(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000190535961 510189288 /nfs/dbraw/zinc/18/92/88/510189288.db2.gz HBAHNACLVVBVKC-HXUWFJFHSA-N 1 3 368.481 2.713 20 30 FFEDHO C[C@@H]1CN(CCCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCCO1 ZINC000277284171 510957837 /nfs/dbraw/zinc/95/78/37/510957837.db2.gz KDILGYMCGAAZME-CQSZACIVSA-N 1 3 372.435 2.611 20 30 FFEDHO C=CCc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc(OC)c1O ZINC000289398895 511099266 /nfs/dbraw/zinc/09/92/66/511099266.db2.gz GCKMWTAMCKFSMU-UHFFFAOYSA-N 1 3 361.530 2.587 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000299200166 511550188 /nfs/dbraw/zinc/55/01/88/511550188.db2.gz FPMDGRXCAWQGGZ-PKOBYXMFSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000299200166 511550191 /nfs/dbraw/zinc/55/01/91/511550191.db2.gz FPMDGRXCAWQGGZ-PKOBYXMFSA-N 1 3 372.513 2.613 20 30 FFEDHO C[C@@H]1C[C@@H](NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC[N@@H+]1C ZINC000329709091 512089517 /nfs/dbraw/zinc/08/95/17/512089517.db2.gz LKKXLFFNFAEETE-AEFFLSMTSA-N 1 3 373.497 2.743 20 30 FFEDHO C[C@@H]1C[C@@H](NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC[N@H+]1C ZINC000329709091 512089523 /nfs/dbraw/zinc/08/95/23/512089523.db2.gz LKKXLFFNFAEETE-AEFFLSMTSA-N 1 3 373.497 2.743 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000411825138 512833102 /nfs/dbraw/zinc/83/31/02/512833102.db2.gz RGXRUWSVOFJFGS-PCCBWWKXSA-N 1 3 368.525 2.536 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000411825138 512833106 /nfs/dbraw/zinc/83/31/06/512833106.db2.gz RGXRUWSVOFJFGS-PCCBWWKXSA-N 1 3 368.525 2.536 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000424139817 514396452 /nfs/dbraw/zinc/39/64/52/514396452.db2.gz FMWPTAGPYWFCKQ-FPOVZHCZSA-N 1 3 354.498 2.522 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424139817 514396457 /nfs/dbraw/zinc/39/64/57/514396457.db2.gz FMWPTAGPYWFCKQ-FPOVZHCZSA-N 1 3 354.498 2.522 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000454546558 515567563 /nfs/dbraw/zinc/56/75/63/515567563.db2.gz NZHXCJRUGPVQBQ-UHFFFAOYSA-N 1 3 370.541 2.991 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000454546558 515567572 /nfs/dbraw/zinc/56/75/72/515567572.db2.gz NZHXCJRUGPVQBQ-UHFFFAOYSA-N 1 3 370.541 2.991 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000557482233 518029926 /nfs/dbraw/zinc/02/99/26/518029926.db2.gz ZFVLLKUDXFFZBN-UHFFFAOYSA-N 1 3 354.498 2.887 20 30 FFEDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000570438536 518607825 /nfs/dbraw/zinc/60/78/25/518607825.db2.gz IJKMZEGOWFMXHH-HNNXBMFYSA-N 1 3 368.447 2.940 20 30 FFEDHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000573607390 518748463 /nfs/dbraw/zinc/74/84/63/518748463.db2.gz NXRFDYJPCDQVNM-UHFFFAOYSA-N 1 3 370.541 2.927 20 30 FFEDHO C=CCc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc(OC)c1O ZINC000574139345 519007013 /nfs/dbraw/zinc/00/70/13/519007013.db2.gz DJPLSSVIUAQYCZ-RTBURBONSA-N 1 3 360.498 2.848 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)CN1CCC[C@@]2(CCCOC2)C1 ZINC000565613628 519044317 /nfs/dbraw/zinc/04/43/17/519044317.db2.gz VXNVKSZUWTZEOX-FGZHOGPDSA-N 1 3 360.542 2.775 20 30 FFEDHO C(#CC[N@H+]1CCC[C@@]2(CCCOC2)C1)CN1CCC[C@@]2(CCCOC2)C1 ZINC000565613628 519044318 /nfs/dbraw/zinc/04/43/18/519044318.db2.gz VXNVKSZUWTZEOX-FGZHOGPDSA-N 1 3 360.542 2.775 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@]2(CCCOC2)C1)CN1CCC[C@]2(CCCOC2)C1 ZINC000565613630 519044392 /nfs/dbraw/zinc/04/43/92/519044392.db2.gz VXNVKSZUWTZEOX-VXKWHMMOSA-N 1 3 360.542 2.775 20 30 FFEDHO C(#CC[N@H+]1CCC[C@]2(CCCOC2)C1)CN1CCC[C@]2(CCCOC2)C1 ZINC000565613630 519044394 /nfs/dbraw/zinc/04/43/94/519044394.db2.gz VXNVKSZUWTZEOX-VXKWHMMOSA-N 1 3 360.542 2.775 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)CC2)nc1 ZINC000591570719 519953794 /nfs/dbraw/zinc/95/37/94/519953794.db2.gz FOMPYWBXWIBASP-HSALFYBXSA-N 1 3 353.514 2.822 20 30 FFEDHO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000600747460 520445096 /nfs/dbraw/zinc/44/50/96/520445096.db2.gz XNMKGQNTVMHGIU-UXHICEINSA-N 1 3 353.510 2.933 20 30 FFEDHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602580416 521421640 /nfs/dbraw/zinc/42/16/40/521421640.db2.gz DQAOBDONVPLPBE-HOTGVXAUSA-N 1 3 370.419 2.836 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(F)(F)F)c1 ZINC000303880528 729735260 /nfs/dbraw/zinc/73/52/60/729735260.db2.gz HGJYZHOLXPSJLQ-AWEZNQCLSA-N 1 3 358.408 2.516 20 30 FFEDHO CC[C@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)Oc1ccccc1Cl ZINC000304672545 729736699 /nfs/dbraw/zinc/73/66/99/729736699.db2.gz CIRJXJISJVRJLJ-HUUCEWRRSA-N 1 3 352.910 2.886 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000876752039 732276896 /nfs/dbraw/zinc/27/68/96/732276896.db2.gz FEFYZPCFRBREBA-MRXNPFEDSA-N 1 3 368.884 2.765 20 30 FFEDHO C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC000820087393 742462110 /nfs/dbraw/zinc/46/21/10/742462110.db2.gz VACUATAFGSVGAN-YJBOKZPZSA-N 1 3 364.921 2.586 20 30 FFEDHO C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(Cl)cc1 ZINC000820087393 742462113 /nfs/dbraw/zinc/46/21/13/742462113.db2.gz VACUATAFGSVGAN-YJBOKZPZSA-N 1 3 364.921 2.586 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001104449878 967307689 /nfs/dbraw/zinc/30/76/89/967307689.db2.gz LDJPYSCWQJPISN-ZTFGCOKTSA-N 1 3 353.938 2.688 20 30 FFEDHO C[NH+]=C(NCc1cc(-c2ccccc2)no1)N1CC[C@H](N2CCCCC2)C1 ZINC000262501417 973856892 /nfs/dbraw/zinc/85/68/92/973856892.db2.gz YLXQISYSSJCKJQ-SFHVURJKSA-N 1 3 367.497 2.977 20 30 FFEDHO C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262502234 973866811 /nfs/dbraw/zinc/86/68/11/973866811.db2.gz YTIZFCRGBLTUJL-QGZVFWFLSA-N 1 3 374.920 2.623 20 30 FFEDHO CO[C@@]1(C)C[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000262510897 974023434 /nfs/dbraw/zinc/02/34/34/974023434.db2.gz CZTCPBAWKBBNKZ-RXVVDRJESA-N 1 3 358.530 2.759 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(C#N)cc3)C2)CC[N@@H+]1C ZINC001027420141 974409585 /nfs/dbraw/zinc/40/95/85/974409585.db2.gz YOTWMGSCHXEGAQ-QHAWAJNXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001027420141 974409591 /nfs/dbraw/zinc/40/95/91/974409591.db2.gz YOTWMGSCHXEGAQ-QHAWAJNXSA-N 1 3 368.525 2.711 20 30 FFEDHO C#CCN(C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C1CCN(C)CC1 ZINC000921615651 985427423 /nfs/dbraw/zinc/42/74/23/985427423.db2.gz IFHJMHHUMCGSOF-UHFFFAOYSA-N 1 3 374.573 2.769 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3C)[C@@H]2C)CC1 ZINC001089059257 986139624 /nfs/dbraw/zinc/13/96/24/986139624.db2.gz GGBSAMRNMYHXKM-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3C)[C@@H]2C)CC1 ZINC001089059257 986139630 /nfs/dbraw/zinc/13/96/30/986139630.db2.gz GGBSAMRNMYHXKM-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079197728 991914388 /nfs/dbraw/zinc/91/43/88/991914388.db2.gz XZUORGGTWOAKLL-XUVXKRRUSA-N 1 3 361.505 2.872 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1F ZINC001079298818 991987128 /nfs/dbraw/zinc/98/71/28/991987128.db2.gz IGIUBYXOGBKWPB-AZUAARDMSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1c1ccccc1 ZINC001081125665 993654924 /nfs/dbraw/zinc/65/49/24/993654924.db2.gz LNHZULIIXXQJFR-BDTNDASRSA-N 1 3 365.521 2.611 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1ccccc1 ZINC001081125665 993654926 /nfs/dbraw/zinc/65/49/26/993654926.db2.gz LNHZULIIXXQJFR-BDTNDASRSA-N 1 3 365.521 2.611 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccccc2)CC1 ZINC001085432847 999518118 /nfs/dbraw/zinc/51/81/18/999518118.db2.gz SSUQTNZQFQSEGN-FGZHOGPDSA-N 1 3 367.537 2.591 20 30 FFEDHO COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1C#N ZINC000850362431 1005811223 /nfs/dbraw/zinc/81/12/23/1005811223.db2.gz NWTDPEZSWPBBFI-UHFFFAOYSA-N 1 3 350.466 2.964 20 30 FFEDHO C[C@H]1CCCN(C(=[NH2+])NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000104170696 1009931835 /nfs/dbraw/zinc/93/18/35/1009931835.db2.gz LVAHAENZPBABFY-IBGZPJMESA-N 1 3 357.546 2.635 20 30 FFEDHO CC(C)NC(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000303904861 1012514528 /nfs/dbraw/zinc/51/45/28/1012514528.db2.gz VELGHLSBXBLANF-UHFFFAOYSA-N 1 3 365.525 2.822 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000304763700 1012871453 /nfs/dbraw/zinc/87/14/53/1012871453.db2.gz XDLDGDNWXVIZMP-VAMGGRTRSA-N 1 3 358.530 2.851 20 30 FFEDHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001099453587 1022554812 /nfs/dbraw/zinc/55/48/12/1022554812.db2.gz PMNBDJWEUBEPOU-VWPQPMDRSA-N 1 3 368.525 2.617 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122543898 1023331143 /nfs/dbraw/zinc/33/11/43/1023331143.db2.gz PIPHWPSIUXEMQW-OALUTQOASA-N 1 3 374.577 2.832 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001122543898 1023331146 /nfs/dbraw/zinc/33/11/46/1023331146.db2.gz PIPHWPSIUXEMQW-OALUTQOASA-N 1 3 374.577 2.832 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375760 1025842784 /nfs/dbraw/zinc/84/27/84/1025842784.db2.gz ZWSFPHVVVYBMNE-YLJYHZDGSA-N 1 3 370.541 2.720 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001102375760 1025842799 /nfs/dbraw/zinc/84/27/99/1025842799.db2.gz ZWSFPHVVVYBMNE-YLJYHZDGSA-N 1 3 370.541 2.720 20 30 FFEDHO C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378836 1027351974 /nfs/dbraw/zinc/35/19/74/1027351974.db2.gz NGMARUPAEBWSEH-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771599 1034639388 /nfs/dbraw/zinc/63/93/88/1034639388.db2.gz WEPZWELGDVTKIK-YADHBBJMSA-N 1 3 374.525 2.953 20 30 FFEDHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001226801472 1034845999 /nfs/dbraw/zinc/84/59/99/1034845999.db2.gz YHJAVURPUUZJKX-NJDAHSKKSA-N 1 3 371.500 2.534 20 30 FFEDHO N#Cc1cccc2c(CN3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001139701739 1035202266 /nfs/dbraw/zinc/20/22/66/1035202266.db2.gz PSCWUSIYULKKSK-OALUTQOASA-N 1 3 357.461 2.998 20 30 FFEDHO C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)CC1 ZINC001228932238 1036415046 /nfs/dbraw/zinc/41/50/46/1036415046.db2.gz KQRSGMLYSVRSME-FGZHOGPDSA-N 1 3 367.537 2.787 20 30 FFEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CCC ZINC001229852921 1036936013 /nfs/dbraw/zinc/93/60/13/1036936013.db2.gz ORFWSKJUBFUDDA-HUUCEWRRSA-N 1 3 360.340 2.644 20 30 FFEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229852921 1036936028 /nfs/dbraw/zinc/93/60/28/1036936028.db2.gz ORFWSKJUBFUDDA-HUUCEWRRSA-N 1 3 360.340 2.644 20 30 FFEDHO C(#Cc1ccccc1)c1ccc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)s1 ZINC001235035179 1037316910 /nfs/dbraw/zinc/31/69/10/1037316910.db2.gz CLFXHXHOINZKFF-WIYYLYMNSA-N 1 3 352.503 2.958 20 30 FFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096806 1042623202 /nfs/dbraw/zinc/62/32/02/1042623202.db2.gz SFGOBJOQUWGISP-LVCYWYKZSA-N 1 3 365.537 2.945 20 30 FFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096806 1042623204 /nfs/dbraw/zinc/62/32/04/1042623204.db2.gz SFGOBJOQUWGISP-LVCYWYKZSA-N 1 3 365.537 2.945 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177698 1051802569 /nfs/dbraw/zinc/80/25/69/1051802569.db2.gz GLYHJZBSGYRWMO-XWSJACJDSA-N 1 3 361.917 2.873 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177698 1051802574 /nfs/dbraw/zinc/80/25/74/1051802574.db2.gz GLYHJZBSGYRWMO-XWSJACJDSA-N 1 3 361.917 2.873 20 30 FFEDHO CCn1ccnc1C(C#N)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001344864326 1052077864 /nfs/dbraw/zinc/07/78/64/1052077864.db2.gz PBHTXLRRILMTHR-SFHVURJKSA-N 1 3 354.454 2.652 20 30 FFEDHO CCn1ccnc1C(C#N)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC001344864325 1052078026 /nfs/dbraw/zinc/07/80/26/1052078026.db2.gz PBHTXLRRILMTHR-GOSISDBHSA-N 1 3 354.454 2.652 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001500499675 1058507218 /nfs/dbraw/zinc/50/72/18/1058507218.db2.gz ZUCUMDULRQTSGQ-ZNLUXHQJSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCCN(Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001500499675 1058507233 /nfs/dbraw/zinc/50/72/33/1058507233.db2.gz ZUCUMDULRQTSGQ-ZNLUXHQJSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc(OC)c1O ZINC001461349070 1061297056 /nfs/dbraw/zinc/29/70/56/1061297056.db2.gz YUTWMWZURBSPCW-RBUKOAKNSA-N 1 3 360.498 2.597 20 30 FFEDHO CC(C)N(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001575680916 1078163271 /nfs/dbraw/zinc/16/32/71/1078163271.db2.gz DEMWVVADKDKMQK-WOJBJXKFSA-N 1 3 356.514 2.909 20 30 FFEDHO CN(CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001565909806 1076795846 /nfs/dbraw/zinc/79/58/46/1076795846.db2.gz UFFDKVSRXYGRMJ-VQTJNVASSA-N 1 3 370.541 2.911 20 30 FFEDHO CC(C)N1CCN(CCC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000283272103 256861502 /nfs/dbraw/zinc/86/15/02/256861502.db2.gz LNETUIYZFYKTMW-UHFFFAOYSA-N 1 3 370.541 2.818 20 30 FFEDHO C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158286066 508682845 /nfs/dbraw/zinc/68/28/45/508682845.db2.gz YGMWVINFXQHWBY-QWRGUYRKSA-N 1 3 363.453 2.556 20 30 FFEDHO C=CCc1ccccc1OC[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080563 509770649 /nfs/dbraw/zinc/77/06/49/509770649.db2.gz SLYDKKUGUVCBEK-NRFANRHFSA-N 1 3 358.526 2.963 20 30 FFEDHO C=C(C)COc1cc(CNCCN2CCC([NH+](C)C)CC2)ccc1OC ZINC000176988961 509803324 /nfs/dbraw/zinc/80/33/24/509803324.db2.gz MIOYYOKDCRSLHR-UHFFFAOYSA-N 1 3 361.530 2.766 20 30 FFEDHO Cc1cccc(N2CCN(CCCCNC(=[NH2+])Nc3ccccn3)CC2)c1 ZINC000170904407 509841542 /nfs/dbraw/zinc/84/15/42/509841542.db2.gz YQQCJEXUMHPBCS-UHFFFAOYSA-N 1 3 366.513 2.719 20 30 FFEDHO C#CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000180991734 510226502 /nfs/dbraw/zinc/22/65/02/510226502.db2.gz DQZHVYCSAQGKIH-OAQYLSRUSA-N 1 3 350.462 2.555 20 30 FFEDHO C#CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000180991734 510226508 /nfs/dbraw/zinc/22/65/08/510226508.db2.gz DQZHVYCSAQGKIH-OAQYLSRUSA-N 1 3 350.462 2.555 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000171725390 510333326 /nfs/dbraw/zinc/33/33/26/510333326.db2.gz MDDGRAMYKYGUJK-UHFFFAOYSA-N 1 3 370.541 2.848 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000188041474 510564626 /nfs/dbraw/zinc/56/46/26/510564626.db2.gz AKPFXCACACUQAD-OAQYLSRUSA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000188041474 510564629 /nfs/dbraw/zinc/56/46/29/510564629.db2.gz AKPFXCACACUQAD-OAQYLSRUSA-N 1 3 370.541 2.847 20 30 FFEDHO C[N@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000279841533 511236527 /nfs/dbraw/zinc/23/65/27/511236527.db2.gz ZXMFJRNLNZTQSZ-NRFANRHFSA-N 1 3 360.461 2.879 20 30 FFEDHO C[N@@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000279841533 511236531 /nfs/dbraw/zinc/23/65/31/511236531.db2.gz ZXMFJRNLNZTQSZ-NRFANRHFSA-N 1 3 360.461 2.879 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000280318523 511419333 /nfs/dbraw/zinc/41/93/33/511419333.db2.gz IKPJDKOYKICFLN-PMACEKPBSA-N 1 3 350.466 2.575 20 30 FFEDHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280762197 511593164 /nfs/dbraw/zinc/59/31/64/511593164.db2.gz ISFXQXLGSUXDFF-FXAWDEMLSA-N 1 3 352.482 2.869 20 30 FFEDHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280762197 511593168 /nfs/dbraw/zinc/59/31/68/511593168.db2.gz ISFXQXLGSUXDFF-FXAWDEMLSA-N 1 3 352.482 2.869 20 30 FFEDHO C[NH+]1CCC(C)(C[NH+]=C([O-])N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329518915 512062308 /nfs/dbraw/zinc/06/23/08/512062308.db2.gz PXJLFKXSCUEYLH-HNNXBMFYSA-N 1 3 361.534 2.731 20 30 FFEDHO [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000329736680 512092522 /nfs/dbraw/zinc/09/25/22/512092522.db2.gz LQICICDJJPDBMT-IAGOWNOFSA-N 1 3 359.518 2.769 20 30 FFEDHO [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000329736680 512092526 /nfs/dbraw/zinc/09/25/26/512092526.db2.gz LQICICDJJPDBMT-IAGOWNOFSA-N 1 3 359.518 2.769 20 30 FFEDHO C#CCCN1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369589899 512499044 /nfs/dbraw/zinc/49/90/44/512499044.db2.gz AXPUBLSPXVWGEA-HXUWFJFHSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCCN1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369589899 512499047 /nfs/dbraw/zinc/49/90/47/512499047.db2.gz AXPUBLSPXVWGEA-HXUWFJFHSA-N 1 3 353.510 2.503 20 30 FFEDHO N#CC(CCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000433349966 514467180 /nfs/dbraw/zinc/46/71/80/514467180.db2.gz DJHKCZZPVXAOBV-FQEVSTJZSA-N 1 3 369.509 2.910 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475453792 514670300 /nfs/dbraw/zinc/67/03/00/514670300.db2.gz ZLDYVHJCNSTELT-SFTDATJTSA-N 1 3 370.541 2.948 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475453792 514670308 /nfs/dbraw/zinc/67/03/08/514670308.db2.gz ZLDYVHJCNSTELT-SFTDATJTSA-N 1 3 370.541 2.948 20 30 FFEDHO CC[NH+](CC)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471953579 515067477 /nfs/dbraw/zinc/06/74/77/515067477.db2.gz LYSZHILXHDOKNX-FQEVSTJZSA-N 1 3 352.482 2.821 20 30 FFEDHO C=CCN1CC[C@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000499600958 515385289 /nfs/dbraw/zinc/38/52/89/515385289.db2.gz RYSGAEADFKVJAE-FQEVSTJZSA-N 1 3 353.510 2.761 20 30 FFEDHO C=CCN1CC[C@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000499600958 515385300 /nfs/dbraw/zinc/38/53/00/515385300.db2.gz RYSGAEADFKVJAE-FQEVSTJZSA-N 1 3 353.510 2.761 20 30 FFEDHO N#Cc1ccc(OC[C@@H](O)CNCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000563474064 517924468 /nfs/dbraw/zinc/92/44/68/517924468.db2.gz YCWUYEPRIGFWCD-NRFANRHFSA-N 1 3 365.477 2.684 20 30 FFEDHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608620 518119102 /nfs/dbraw/zinc/11/91/02/518119102.db2.gz VGJKJJQQGCKUMJ-KRWDZBQOSA-N 1 3 367.472 2.955 20 30 FFEDHO C[C@@H]1C[C@H](CCNCc2cnc3c(C#N)cnn3c2)C[N@@H+]1Cc1ccccc1 ZINC000576108216 518432584 /nfs/dbraw/zinc/43/25/84/518432584.db2.gz QYWVIGUKMDOPBD-MJGOQNOKSA-N 1 3 374.492 2.991 20 30 FFEDHO C[C@@H]1C[C@H](CCNCc2cnc3c(C#N)cnn3c2)C[N@H+]1Cc1ccccc1 ZINC000576108216 518432594 /nfs/dbraw/zinc/43/25/94/518432594.db2.gz QYWVIGUKMDOPBD-MJGOQNOKSA-N 1 3 374.492 2.991 20 30 FFEDHO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602878501 519944580 /nfs/dbraw/zinc/94/45/80/519944580.db2.gz XNNNASZPQPVAML-IDYZSHNDSA-N 1 3 360.546 2.723 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)CC2)nc1 ZINC000591570722 519954310 /nfs/dbraw/zinc/95/43/10/519954310.db2.gz FOMPYWBXWIBASP-XUVXKRRUSA-N 1 3 353.514 2.822 20 30 FFEDHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594437410 519964309 /nfs/dbraw/zinc/96/43/09/519964309.db2.gz JPAXVTQCIOWDCX-MISYRCLQSA-N 1 3 356.514 2.909 20 30 FFEDHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437410 519964319 /nfs/dbraw/zinc/96/43/19/519964319.db2.gz JPAXVTQCIOWDCX-MISYRCLQSA-N 1 3 356.514 2.909 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000594438914 519965771 /nfs/dbraw/zinc/96/57/71/519965771.db2.gz MZFFNRIQKLOLAU-FQEVSTJZSA-N 1 3 369.513 2.568 20 30 FFEDHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](N)CCCCC#N)c2)CC1 ZINC000594439750 519966428 /nfs/dbraw/zinc/96/64/28/519966428.db2.gz YXYGQIHNAHVRMH-HXUWFJFHSA-N 1 3 356.514 2.946 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 ZINC000594283379 521535278 /nfs/dbraw/zinc/53/52/78/521535278.db2.gz GVMHWKZKDMOVNF-UHFFFAOYSA-N 1 3 372.488 2.510 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2Cl)CC1 ZINC000305729038 729738184 /nfs/dbraw/zinc/73/81/84/729738184.db2.gz SVMUECIUXXOERC-CQSZACIVSA-N 1 3 352.885 2.899 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000876758733 732277519 /nfs/dbraw/zinc/27/75/19/732277519.db2.gz MEKDIBCBLKTZMT-AZUAARDMSA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876758733 732277520 /nfs/dbraw/zinc/27/75/20/732277520.db2.gz MEKDIBCBLKTZMT-AZUAARDMSA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000876940965 732299724 /nfs/dbraw/zinc/29/97/24/732299724.db2.gz CGKIQKMIDVRUGB-QGZVFWFLSA-N 1 3 350.894 2.616 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104287330 961814813 /nfs/dbraw/zinc/81/48/13/961814813.db2.gz CRTYDDSMBHSSRR-KBAYOESNSA-N 1 3 355.954 2.791 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104287330 961814824 /nfs/dbraw/zinc/81/48/24/961814824.db2.gz CRTYDDSMBHSSRR-KBAYOESNSA-N 1 3 355.954 2.791 20 30 FFEDHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1)[NH+](C)C ZINC001104322549 963291511 /nfs/dbraw/zinc/29/15/11/963291511.db2.gz QFBFMDOQUJCPGL-UIFIKXQLSA-N 1 3 370.541 2.719 20 30 FFEDHO Cc1cc(C)n([C@@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000329073930 966616878 /nfs/dbraw/zinc/61/68/78/966616878.db2.gz PAXTYKFORYXFQI-KRWDZBQOSA-N 1 3 361.534 2.966 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211615664 968025569 /nfs/dbraw/zinc/02/55/69/968025569.db2.gz AMPDGSWFAJBGAV-BHIFYINESA-N 1 3 367.537 2.857 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001211615664 968025579 /nfs/dbraw/zinc/02/55/79/968025579.db2.gz AMPDGSWFAJBGAV-BHIFYINESA-N 1 3 367.537 2.857 20 30 FFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cnc2c(c1)CNCC2)C(C)C ZINC000667790846 977034222 /nfs/dbraw/zinc/03/42/22/977034222.db2.gz FCCXZZGTNIMIIO-IBGZPJMESA-N 1 3 357.502 2.547 20 30 FFEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCC2(C1)CCCCC2 ZINC000262757803 979847337 /nfs/dbraw/zinc/84/73/37/979847337.db2.gz CALIHETZZHXEKU-UHFFFAOYSA-N 1 3 362.562 2.863 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)[C@@H]2C)CC1 ZINC001089059261 986138577 /nfs/dbraw/zinc/13/85/77/986138577.db2.gz GNUGLHYTZQOWMN-NQIIRXRSSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)[C@@H]2C)CC1 ZINC001089059261 986138581 /nfs/dbraw/zinc/13/85/81/986138581.db2.gz GNUGLHYTZQOWMN-NQIIRXRSSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCN(C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000914330320 987444904 /nfs/dbraw/zinc/44/49/04/987444904.db2.gz PTZRXQMLIPXLDV-QUCCMNQESA-N 1 3 368.525 2.561 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106672082 988619673 /nfs/dbraw/zinc/61/96/73/988619673.db2.gz DEEJBKKTNURMFU-TZIWHRDSSA-N 1 3 369.553 2.700 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198772 991873320 /nfs/dbraw/zinc/87/33/20/991873320.db2.gz QZZMYLGZIGULGK-FFZOFVMBSA-N 1 3 359.489 2.628 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198910 991873714 /nfs/dbraw/zinc/87/37/14/991873714.db2.gz YMJQMHQLDQSTDW-FFZOFVMBSA-N 1 3 359.489 2.770 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC(C)C)c1ccccc1OC ZINC000184649282 992908021 /nfs/dbraw/zinc/90/80/21/992908021.db2.gz GAOZMSAVSLEBFE-APWZRJJASA-N 1 3 362.518 2.550 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085032958 998733172 /nfs/dbraw/zinc/73/31/72/998733172.db2.gz KOUXMNRZJGGTRE-FUHIMQAGSA-N 1 3 351.510 2.698 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085032958 998733178 /nfs/dbraw/zinc/73/31/78/998733178.db2.gz KOUXMNRZJGGTRE-FUHIMQAGSA-N 1 3 351.510 2.698 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C)cc3)C2)CC1 ZINC001086882472 1001299739 /nfs/dbraw/zinc/29/97/39/1001299739.db2.gz RZHHBZITCIRROT-RBBKRZOGSA-N 1 3 367.537 2.715 20 30 FFEDHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001112548585 1001458238 /nfs/dbraw/zinc/45/82/38/1001458238.db2.gz HEXBCLIEJRQAHB-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001112586362 1001538377 /nfs/dbraw/zinc/53/83/77/1001538377.db2.gz VUGVCGBCSHFRIP-UNMCSNQZSA-N 1 3 368.525 2.617 20 30 FFEDHO N#CC(Cc1cccs1)C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001177918278 1008788755 /nfs/dbraw/zinc/78/87/55/1008788755.db2.gz UFGPUXFWEZYSOR-RBSFLKMASA-N 1 3 355.467 2.523 20 30 FFEDHO CC(C)N1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@H](C)C1 ZINC001172980266 1012150284 /nfs/dbraw/zinc/15/02/84/1012150284.db2.gz VTNMRPFIIPUEEQ-BDXSIMOUSA-N 1 3 364.534 2.986 20 30 FFEDHO C[NH+](C)CC1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172984292 1012154425 /nfs/dbraw/zinc/15/44/25/1012154425.db2.gz LVRTVJNSUXWQTI-IRXDYDNUSA-N 1 3 350.507 2.552 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCc2ccccc2)c1 ZINC000303906762 1012515652 /nfs/dbraw/zinc/51/56/52/1012515652.db2.gz WHMQJFPCTYJUFA-IBGZPJMESA-N 1 3 367.497 2.549 20 30 FFEDHO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000925439192 1017742005 /nfs/dbraw/zinc/74/20/05/1017742005.db2.gz RYMSZIGERAIMNE-QGZVFWFLSA-N 1 3 356.514 2.930 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001122514071 1023314159 /nfs/dbraw/zinc/31/41/59/1023314159.db2.gz NKPFLBPGLFXREZ-QZTJIDSGSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001122514071 1023314162 /nfs/dbraw/zinc/31/41/62/1023314162.db2.gz NKPFLBPGLFXREZ-QZTJIDSGSA-N 1 3 360.550 2.584 20 30 FFEDHO C[N@@H+]1CCCC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000758094852 1023925605 /nfs/dbraw/zinc/92/56/05/1023925605.db2.gz GXLUIEMAJYUNJR-UHFFFAOYSA-N 1 3 373.570 2.587 20 30 FFEDHO C[N@H+]1CCCC(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000758094852 1023925611 /nfs/dbraw/zinc/92/56/11/1023925611.db2.gz GXLUIEMAJYUNJR-UHFFFAOYSA-N 1 3 373.570 2.587 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083739 1026944382 /nfs/dbraw/zinc/94/43/82/1026944382.db2.gz HLOVTOFXDJQEHT-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083739 1026944387 /nfs/dbraw/zinc/94/43/87/1026944387.db2.gz HLOVTOFXDJQEHT-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1c1cccc(F)c1 ZINC001205456189 1031759076 /nfs/dbraw/zinc/75/90/76/1031759076.db2.gz KFHSJNGUFVXEPQ-LEWJYISDSA-N 1 3 371.500 2.609 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001220877165 1034440100 /nfs/dbraw/zinc/44/01/00/1034440100.db2.gz PWILYNSCYWVQJB-LJQANCHMSA-N 1 3 370.541 2.815 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001220877165 1034440104 /nfs/dbraw/zinc/44/01/04/1034440104.db2.gz PWILYNSCYWVQJB-LJQANCHMSA-N 1 3 370.541 2.815 20 30 FFEDHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001227157990 1034953851 /nfs/dbraw/zinc/95/38/51/1034953851.db2.gz BCOFHFIOCTWNHY-RTBURBONSA-N 1 3 356.514 2.806 20 30 FFEDHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001227165123 1034958518 /nfs/dbraw/zinc/95/85/18/1034958518.db2.gz JVWYPURZIHHEIO-IAGOWNOFSA-N 1 3 362.543 2.867 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000836489054 1036584739 /nfs/dbraw/zinc/58/47/39/1036584739.db2.gz VAAINXVUJJGTPA-PZJWPPBQSA-N 1 3 370.541 2.541 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000836489054 1036584755 /nfs/dbraw/zinc/58/47/55/1036584755.db2.gz VAAINXVUJJGTPA-PZJWPPBQSA-N 1 3 370.541 2.541 20 30 FFEDHO C=CCCCCCC[C@@H](O)CN1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001246028833 1039203076 /nfs/dbraw/zinc/20/30/76/1039203076.db2.gz LDGYNBCQABEZLO-ZVDOUQERSA-N 1 3 366.546 2.739 20 30 FFEDHO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2CNCCC[C@]2(C(=O)OCC)C1 ZINC001246028833 1039203091 /nfs/dbraw/zinc/20/30/91/1039203091.db2.gz LDGYNBCQABEZLO-ZVDOUQERSA-N 1 3 366.546 2.739 20 30 FFEDHO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2CNCCC[C@]2(C(=O)OCC)C1 ZINC001246028833 1039203102 /nfs/dbraw/zinc/20/31/02/1039203102.db2.gz LDGYNBCQABEZLO-ZVDOUQERSA-N 1 3 366.546 2.739 20 30 FFEDHO CCCCCCCC[C@H](O)CN1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246043126 1039211777 /nfs/dbraw/zinc/21/17/77/1039211777.db2.gz ABGCRUSEGCOZKJ-WSTZPKSXSA-N 1 3 354.535 2.573 20 30 FFEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001246306284 1039306726 /nfs/dbraw/zinc/30/67/26/1039306726.db2.gz VEDSYHCQSIBJJY-NRFANRHFSA-N 1 3 373.541 2.510 20 30 FFEDHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001215381362 1041766101 /nfs/dbraw/zinc/76/61/01/1041766101.db2.gz UZKSZPLBZWTVLM-BAGYTPMASA-N 1 3 367.537 2.597 20 30 FFEDHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001215381362 1041766105 /nfs/dbraw/zinc/76/61/05/1041766105.db2.gz UZKSZPLBZWTVLM-BAGYTPMASA-N 1 3 367.537 2.597 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001264767485 1042821069 /nfs/dbraw/zinc/82/10/69/1042821069.db2.gz ONKQEKPATWOCTG-LEWJYISDSA-N 1 3 371.525 2.640 20 30 FFEDHO N#CC1(NC(=O)C2CC[NH+](C3CCN(CC4CCC4)CC3)CC2)CCC1 ZINC001279897479 1043877868 /nfs/dbraw/zinc/87/78/68/1043877868.db2.gz AQUBRTQXUKTUQP-UHFFFAOYSA-N 1 3 358.530 2.525 20 30 FFEDHO C#CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCCCC1 ZINC000847398852 1055700337 /nfs/dbraw/zinc/70/03/37/1055700337.db2.gz APQNWHVHLDIVLL-UHFFFAOYSA-N 1 3 359.558 2.977 20 30 FFEDHO C=CCCC[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001357403769 1055894012 /nfs/dbraw/zinc/89/40/12/1055894012.db2.gz GCUJKJPRKTXNSL-HKUYNNGSSA-N 1 3 359.514 2.686 20 30 FFEDHO CN1CCN(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1(C)C ZINC000849108265 1056763436 /nfs/dbraw/zinc/76/34/36/1056763436.db2.gz OQHAPHDRRZVZOV-UHFFFAOYSA-N 1 3 357.546 2.966 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000106257123 508398547 /nfs/dbraw/zinc/39/85/47/508398547.db2.gz XTUBGQLGDGTZMN-UHFFFAOYSA-N 1 3 358.530 2.848 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000106257123 508398548 /nfs/dbraw/zinc/39/85/48/508398548.db2.gz XTUBGQLGDGTZMN-UHFFFAOYSA-N 1 3 358.530 2.848 20 30 FFEDHO N#CC1(c2ccccc2)CC([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000128089013 508545976 /nfs/dbraw/zinc/54/59/76/508545976.db2.gz BQTLLBMFNPELQV-INAZGPRKSA-N 1 3 353.510 2.968 20 30 FFEDHO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842442 508683508 /nfs/dbraw/zinc/68/35/08/508683508.db2.gz NNTJVGXWHXTZCF-CQSZACIVSA-N 1 3 360.527 2.711 20 30 FFEDHO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842442 508683513 /nfs/dbraw/zinc/68/35/13/508683513.db2.gz NNTJVGXWHXTZCF-CQSZACIVSA-N 1 3 360.527 2.711 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000124484541 508839442 /nfs/dbraw/zinc/83/94/42/508839442.db2.gz KKCGKCSTLZKGCQ-UHFFFAOYSA-N 1 3 360.889 2.500 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000179219002 509324163 /nfs/dbraw/zinc/32/41/63/509324163.db2.gz CRDRKHWKBOSDAS-UHFFFAOYSA-N 1 3 362.562 2.934 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182621746 509338343 /nfs/dbraw/zinc/33/83/43/509338343.db2.gz LKFULTKWKQHDOX-MSOLQXFVSA-N 1 3 362.562 2.979 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182621746 509338350 /nfs/dbraw/zinc/33/83/50/509338350.db2.gz LKFULTKWKQHDOX-MSOLQXFVSA-N 1 3 362.562 2.979 20 30 FFEDHO COc1ccc(NC(=[NH2+])NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000267467683 509501377 /nfs/dbraw/zinc/50/13/77/509501377.db2.gz WYSXACJVUMKAIH-UHFFFAOYSA-N 1 3 368.481 2.579 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000177904360 510318136 /nfs/dbraw/zinc/31/81/36/510318136.db2.gz DULJYIDSXRKFKD-KRWDZBQOSA-N 1 3 361.465 2.577 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000177904360 510318141 /nfs/dbraw/zinc/31/81/41/510318141.db2.gz DULJYIDSXRKFKD-KRWDZBQOSA-N 1 3 361.465 2.577 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000171707931 510321725 /nfs/dbraw/zinc/32/17/25/510321725.db2.gz LMDYEKNNQZCGHN-LJQANCHMSA-N 1 3 350.551 2.837 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329692954 512087207 /nfs/dbraw/zinc/08/72/07/512087207.db2.gz AQFSJJPUYAEKCE-IXDOHACOSA-N 1 3 359.518 2.767 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329692954 512087209 /nfs/dbraw/zinc/08/72/09/512087209.db2.gz AQFSJJPUYAEKCE-IXDOHACOSA-N 1 3 359.518 2.767 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329692954 512087212 /nfs/dbraw/zinc/08/72/12/512087212.db2.gz AQFSJJPUYAEKCE-IXDOHACOSA-N 1 3 359.518 2.767 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329692954 512087214 /nfs/dbraw/zinc/08/72/14/512087214.db2.gz AQFSJJPUYAEKCE-IXDOHACOSA-N 1 3 359.518 2.767 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000375670798 512447370 /nfs/dbraw/zinc/44/73/70/512447370.db2.gz DFBGREUCMIJACQ-YADHBBJMSA-N 1 3 372.472 2.879 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000375670798 512447374 /nfs/dbraw/zinc/44/73/74/512447374.db2.gz DFBGREUCMIJACQ-YADHBBJMSA-N 1 3 372.472 2.879 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000455961850 514868931 /nfs/dbraw/zinc/86/89/31/514868931.db2.gz ABMBHLGCEGBWFP-IBGZPJMESA-N 1 3 357.502 2.747 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000455961850 514868935 /nfs/dbraw/zinc/86/89/35/514868935.db2.gz ABMBHLGCEGBWFP-IBGZPJMESA-N 1 3 357.502 2.747 20 30 FFEDHO CC[NH+](CC)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471953580 515067496 /nfs/dbraw/zinc/06/74/96/515067496.db2.gz LYSZHILXHDOKNX-HXUWFJFHSA-N 1 3 352.482 2.821 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000523789791 516579768 /nfs/dbraw/zinc/57/97/68/516579768.db2.gz DYZWMHFBMDNHLY-OALUTQOASA-N 1 3 350.551 2.668 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000523789791 516579776 /nfs/dbraw/zinc/57/97/76/516579776.db2.gz DYZWMHFBMDNHLY-OALUTQOASA-N 1 3 350.551 2.668 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000557490278 518033321 /nfs/dbraw/zinc/03/33/21/518033321.db2.gz ZLLVMRUYFXWRMW-UHFFFAOYSA-N 1 3 368.525 2.713 20 30 FFEDHO C[N@@H+]1C[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000592882493 520632741 /nfs/dbraw/zinc/63/27/41/520632741.db2.gz USJVDSFEDPNLSQ-VSKRKVRLSA-N 1 3 372.472 2.702 20 30 FFEDHO C[N@H+]1C[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000592882493 520632748 /nfs/dbraw/zinc/63/27/48/520632748.db2.gz USJVDSFEDPNLSQ-VSKRKVRLSA-N 1 3 372.472 2.702 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000602499332 521382245 /nfs/dbraw/zinc/38/22/45/521382245.db2.gz JWHMRBVMZMNNDK-SFHVURJKSA-N 1 3 371.525 2.832 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000602596960 521431491 /nfs/dbraw/zinc/43/14/91/521431491.db2.gz OMQBSCRJCMFZLK-WIYYLYMNSA-N 1 3 371.525 2.832 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000602596960 521431499 /nfs/dbraw/zinc/43/14/99/521431499.db2.gz OMQBSCRJCMFZLK-WIYYLYMNSA-N 1 3 371.525 2.832 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)CC2)CC1 ZINC000594296429 521544604 /nfs/dbraw/zinc/54/46/04/521544604.db2.gz NLSLFYABJHXZOL-UTKZUKDTSA-N 1 3 360.546 2.771 20 30 FFEDHO C=CC[C@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000625702105 523631829 /nfs/dbraw/zinc/63/18/29/523631829.db2.gz CUZUHATTYZJVMB-IBGZPJMESA-N 1 3 355.526 2.974 20 30 FFEDHO CC[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000086897032 728432513 /nfs/dbraw/zinc/43/25/13/728432513.db2.gz HGMVBWKTEMLTEC-QGZVFWFLSA-N 1 3 363.575 2.828 20 30 FFEDHO C#C[C@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccc(Br)cc1 ZINC000263062300 729678051 /nfs/dbraw/zinc/67/80/51/729678051.db2.gz FQOXQERWLGEZHX-HOTGVXAUSA-N 1 3 363.303 2.512 20 30 FFEDHO CC[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)Oc1ccccc1Cl ZINC000304672535 729736618 /nfs/dbraw/zinc/73/66/18/729736618.db2.gz CIRJXJISJVRJLJ-CABCVRRESA-N 1 3 352.910 2.886 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOCc1ccc(Cl)cc1Cl ZINC000305759130 729738160 /nfs/dbraw/zinc/73/81/60/729738160.db2.gz BNGQIMAMKARFNH-OAHLLOKOSA-N 1 3 373.328 2.899 20 30 FFEDHO C=CCN1c2ccccc2C2(CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001275881225 1013133396 /nfs/dbraw/zinc/13/33/96/1013133396.db2.gz YAKHLKIFBWERPM-GOSISDBHSA-N 1 3 353.510 2.895 20 30 FFEDHO C=CCN1c2ccccc2C2(CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275881225 1013133401 /nfs/dbraw/zinc/13/34/01/1013133401.db2.gz YAKHLKIFBWERPM-GOSISDBHSA-N 1 3 353.510 2.895 20 30 FFEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4[C@@H](C3)[C@@H]4N(C)C)sc2C1 ZINC001175070394 1013384210 /nfs/dbraw/zinc/38/42/10/1013384210.db2.gz SPWCKKOTHZFPDB-RXMXQMHTSA-N 1 3 372.538 2.565 20 30 FFEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4[C@@H](C3)[C@@H]4N(C)C)sc2C1 ZINC001175070394 1013384230 /nfs/dbraw/zinc/38/42/30/1013384230.db2.gz SPWCKKOTHZFPDB-RXMXQMHTSA-N 1 3 372.538 2.565 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000891521524 964425136 /nfs/dbraw/zinc/42/51/36/964425136.db2.gz ICDFUNVTDFSDOU-XLIONFOSSA-N 1 3 362.562 2.966 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211615835 968027445 /nfs/dbraw/zinc/02/74/45/968027445.db2.gz IYSMUGHHMVLSSU-PWRODBHTSA-N 1 3 355.526 2.877 20 30 FFEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001024666740 969241859 /nfs/dbraw/zinc/24/18/59/969241859.db2.gz ULYPBBQHTBUIHY-HBMCJLEFSA-N 1 3 355.526 2.879 20 30 FFEDHO C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001024666740 969241868 /nfs/dbraw/zinc/24/18/68/969241868.db2.gz ULYPBBQHTBUIHY-HBMCJLEFSA-N 1 3 355.526 2.879 20 30 FFEDHO [NH2+]=C(NC[C@H]1CCOC2(CCC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000263213977 980558352 /nfs/dbraw/zinc/55/83/52/980558352.db2.gz ZNUISQQYANJSJM-IBGZPJMESA-N 1 3 370.541 2.905 20 30 FFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001032640034 986228291 /nfs/dbraw/zinc/22/82/91/986228291.db2.gz AJWXUWZUYQNXOW-BURNTYAHSA-N 1 3 353.510 2.583 20 30 FFEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001032640034 986228302 /nfs/dbraw/zinc/22/83/02/986228302.db2.gz AJWXUWZUYQNXOW-BURNTYAHSA-N 1 3 353.510 2.583 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1cccc(F)c1 ZINC001079183590 991892662 /nfs/dbraw/zinc/89/26/62/991892662.db2.gz KGFOBYFZVYZCCZ-VQTJNVASSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@H]2C)CC1 ZINC001080997590 993547956 /nfs/dbraw/zinc/54/79/56/993547956.db2.gz GESNZTHVZXDAFV-WIYYLYMNSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2C)CC1 ZINC001080997590 993547961 /nfs/dbraw/zinc/54/79/61/993547961.db2.gz GESNZTHVZXDAFV-WIYYLYMNSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2C)CC1 ZINC001080998117 993548531 /nfs/dbraw/zinc/54/85/31/993548531.db2.gz SWJRKLJIMHCLGJ-WIYYLYMNSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@H]2C)CC1 ZINC001080998117 993548537 /nfs/dbraw/zinc/54/85/37/993548537.db2.gz SWJRKLJIMHCLGJ-WIYYLYMNSA-N 1 3 359.558 2.739 20 30 FFEDHO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608601 994455229 /nfs/dbraw/zinc/45/52/29/994455229.db2.gz HQBYSSHRWBEKAE-DSKINZAPSA-N 1 3 365.562 2.667 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880880 997597339 /nfs/dbraw/zinc/59/73/39/997597339.db2.gz OMTGDZNXQSDWPL-JRGCBEDISA-N 1 3 371.525 2.640 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1ccc(OC)cc1 ZINC001090885398 997624828 /nfs/dbraw/zinc/62/48/28/997624828.db2.gz NCPNSARYSKROQP-HBMCJLEFSA-N 1 3 371.525 2.640 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCCCC2)CC1 ZINC001096605164 1016343782 /nfs/dbraw/zinc/34/37/82/1016343782.db2.gz DFECIODZLPNGNF-HKBOAZHASA-N 1 3 357.542 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCCCC2)CC1 ZINC001096605164 1016343792 /nfs/dbraw/zinc/34/37/92/1016343792.db2.gz DFECIODZLPNGNF-HKBOAZHASA-N 1 3 357.542 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC001086882491 1001300024 /nfs/dbraw/zinc/30/00/24/1001300024.db2.gz SUFNKNUBFAUFSX-GHTZIAJQSA-N 1 3 371.569 2.786 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001094241450 1010985079 /nfs/dbraw/zinc/98/50/79/1010985079.db2.gz FAHAKXGLMCISLD-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCCC2)c1 ZINC000303972759 1012547405 /nfs/dbraw/zinc/54/74/05/1012547405.db2.gz GELQCZLNUQVOCN-KRWDZBQOSA-N 1 3 359.518 2.682 20 30 FFEDHO [NH2+]=C(NCCCN(Cc1ccccc1)Cc1ccccc1)N1CCOCC1 ZINC000304651415 1012808653 /nfs/dbraw/zinc/80/86/53/1012808653.db2.gz GWJIJUVNKNKLEH-UHFFFAOYSA-N 1 3 366.509 2.726 20 30 FFEDHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001099496966 1022631277 /nfs/dbraw/zinc/63/12/77/1022631277.db2.gz PMNBDJWEUBEPOU-ONTIZHBOSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001121595832 1023871478 /nfs/dbraw/zinc/87/14/78/1023871478.db2.gz YOLJJDBZHGEBSB-ROUUACIJSA-N 1 3 372.561 2.584 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001121595832 1023871482 /nfs/dbraw/zinc/87/14/82/1023871482.db2.gz YOLJJDBZHGEBSB-ROUUACIJSA-N 1 3 372.561 2.584 20 30 FFEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622660 1026443408 /nfs/dbraw/zinc/44/34/08/1026443408.db2.gz IXQQEPHBIVRWFB-FPOVZHCZSA-N 1 3 370.541 2.636 20 30 FFEDHO C#CCN(C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000838622660 1026443413 /nfs/dbraw/zinc/44/34/13/1026443413.db2.gz IXQQEPHBIVRWFB-FPOVZHCZSA-N 1 3 370.541 2.636 20 30 FFEDHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C[N@@H+]2C1 ZINC001141817175 1027008732 /nfs/dbraw/zinc/00/87/32/1027008732.db2.gz KCNSWIKWNOIIRW-JRGCBEDISA-N 1 3 368.525 2.569 20 30 FFEDHO C[C@@H]1C[C@H]2CC[C@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C[N@H+]2C1 ZINC001141817175 1027008735 /nfs/dbraw/zinc/00/87/35/1027008735.db2.gz KCNSWIKWNOIIRW-JRGCBEDISA-N 1 3 368.525 2.569 20 30 FFEDHO N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC001157578293 1029621652 /nfs/dbraw/zinc/62/16/52/1029621652.db2.gz BEAMPLRAFLSOQI-NRFANRHFSA-N 1 3 368.525 2.543 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1cccc(F)c1 ZINC001205424806 1031733708 /nfs/dbraw/zinc/73/37/08/1031733708.db2.gz OTGSZKKCSDHUCC-VQTJNVASSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1F ZINC001205619993 1031879002 /nfs/dbraw/zinc/87/90/02/1031879002.db2.gz NIQFOORICRNGMY-PKOBYXMFSA-N 1 3 359.489 2.770 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073449 1033972306 /nfs/dbraw/zinc/97/23/06/1033972306.db2.gz AYWISLVJQLRLCJ-UXHICEINSA-N 1 3 365.562 2.549 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073449 1033972315 /nfs/dbraw/zinc/97/23/15/1033972315.db2.gz AYWISLVJQLRLCJ-UXHICEINSA-N 1 3 365.562 2.549 20 30 FFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001227184488 1034965608 /nfs/dbraw/zinc/96/56/08/1034965608.db2.gz LLUHDGOHHBIZHC-IAGOWNOFSA-N 1 3 350.894 2.677 20 30 FFEDHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1Cl ZINC001228365311 1036069380 /nfs/dbraw/zinc/06/93/80/1036069380.db2.gz AXKKAEJUXXILSV-RTBURBONSA-N 1 3 361.917 2.660 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322404 1040447694 /nfs/dbraw/zinc/44/76/94/1040447694.db2.gz IJARRAJRFGJHND-XUVXKRRUSA-N 1 3 365.562 2.670 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322404 1040447707 /nfs/dbraw/zinc/44/77/07/1040447707.db2.gz IJARRAJRFGJHND-XUVXKRRUSA-N 1 3 365.562 2.670 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC001262568151 1041726770 /nfs/dbraw/zinc/72/67/70/1041726770.db2.gz MUWDTTGJDAJMIU-KRWDZBQOSA-N 1 3 369.278 2.699 20 30 FFEDHO Cn1cc(CN2CCC3(C2)CC[NH+](C[C@H]2CCC=CO2)CC3)cc1C#N ZINC001278141410 1043341837 /nfs/dbraw/zinc/34/18/37/1043341837.db2.gz YWKQMAYJVFHITK-HXUWFJFHSA-N 1 3 354.498 2.877 20 30 FFEDHO C=C(Cl)CN[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001332220622 1048306743 /nfs/dbraw/zinc/30/67/43/1048306743.db2.gz HSGIJVIUOWMWNX-BHIYHBOVSA-N 1 3 363.933 2.786 20 30 FFEDHO C=C(Cl)CN[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC001332220622 1048306753 /nfs/dbraw/zinc/30/67/53/1048306753.db2.gz HSGIJVIUOWMWNX-BHIYHBOVSA-N 1 3 363.933 2.786 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177693 1051802597 /nfs/dbraw/zinc/80/25/97/1051802597.db2.gz GLYHJZBSGYRWMO-FCGDIQPGSA-N 1 3 361.917 2.873 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177693 1051802609 /nfs/dbraw/zinc/80/26/09/1051802609.db2.gz GLYHJZBSGYRWMO-FCGDIQPGSA-N 1 3 361.917 2.873 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC001335440994 1053365322 /nfs/dbraw/zinc/36/53/22/1053365322.db2.gz OANSNFCHXAMSGR-ZEZYUPADSA-N 1 3 372.509 2.545 20 30 FFEDHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1O2 ZINC001356569812 1055589315 /nfs/dbraw/zinc/58/93/15/1055589315.db2.gz PMDUSDBSYLMLQU-AEFFLSMTSA-N 1 3 357.498 2.865 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001339068571 1056064581 /nfs/dbraw/zinc/06/45/81/1056064581.db2.gz NSGBMSHTJVFONH-LJQANCHMSA-N 1 3 374.577 2.830 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001339068571 1056064593 /nfs/dbraw/zinc/06/45/93/1056064593.db2.gz NSGBMSHTJVFONH-LJQANCHMSA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001516047455 1059941963 /nfs/dbraw/zinc/94/19/63/1059941963.db2.gz PCYYXSZZEIGLAD-RBUKOAKNSA-N 1 3 372.561 2.728 20 30 FFEDHO C#CCCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001567653927 1077041793 /nfs/dbraw/zinc/04/17/93/1077041793.db2.gz GKZLOVQNSJNSQF-UIFIKXQLSA-N 1 3 355.526 2.920 20 30 FFEDHO C#CCCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001567653927 1077041797 /nfs/dbraw/zinc/04/17/97/1077041797.db2.gz GKZLOVQNSJNSQF-UIFIKXQLSA-N 1 3 355.526 2.920 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000106265942 508398709 /nfs/dbraw/zinc/39/87/09/508398709.db2.gz AFFJPBUJYQQLPI-QGZVFWFLSA-N 1 3 350.551 2.837 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000106265942 508398710 /nfs/dbraw/zinc/39/87/10/508398710.db2.gz AFFJPBUJYQQLPI-QGZVFWFLSA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267348970 509460494 /nfs/dbraw/zinc/46/04/94/509460494.db2.gz PFPJIROLIXJHIW-RXVVDRJESA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267348970 509460499 /nfs/dbraw/zinc/46/04/99/509460499.db2.gz PFPJIROLIXJHIW-RXVVDRJESA-N 1 3 370.541 2.847 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000237590870 509685826 /nfs/dbraw/zinc/68/58/26/509685826.db2.gz NHIRKZRNMONEDG-QGZVFWFLSA-N 1 3 356.514 2.626 20 30 FFEDHO COc1ccc(CN2CCC(C[NH2+]Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000190905542 510406764 /nfs/dbraw/zinc/40/67/64/510406764.db2.gz DJZWUOBIUSFVNH-UHFFFAOYSA-N 1 3 352.482 2.907 20 30 FFEDHO C[NH+]=C(NC[C@H](O)c1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000262826322 510430251 /nfs/dbraw/zinc/43/02/51/510430251.db2.gz ZVQFQMLNTOWRKK-FBVQUNGASA-N 1 3 364.921 2.554 20 30 FFEDHO CC(C)N1CCN(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)CC1 ZINC000270959512 511037908 /nfs/dbraw/zinc/03/79/08/511037908.db2.gz UVZHCBYFUMWMOT-UHFFFAOYSA-N 1 3 370.541 2.818 20 30 FFEDHO CC1CCN(C(=[NH2+])NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000303255487 511729922 /nfs/dbraw/zinc/72/99/22/511729922.db2.gz GKIFQIWEQTZQJV-UHFFFAOYSA-N 1 3 357.546 2.635 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374318386 512763891 /nfs/dbraw/zinc/76/38/91/512763891.db2.gz QQNNJWZGWPSOOH-NQIIRXRSSA-N 1 3 354.542 2.946 20 30 FFEDHO C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413264460 513556682 /nfs/dbraw/zinc/55/66/82/513556682.db2.gz MIBCZOMYMYIAMN-KSZLIROESA-N 1 3 356.514 2.710 20 30 FFEDHO C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413264460 513556686 /nfs/dbraw/zinc/55/66/86/513556686.db2.gz MIBCZOMYMYIAMN-KSZLIROESA-N 1 3 356.514 2.710 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431948168 514049506 /nfs/dbraw/zinc/04/95/06/514049506.db2.gz DDLQLENCMQJCIE-MJGOQNOKSA-N 1 3 350.551 2.837 20 30 FFEDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472399976 515257519 /nfs/dbraw/zinc/25/75/19/515257519.db2.gz BAXZAEBHZNSRGT-UXHICEINSA-N 1 3 352.482 2.867 20 30 FFEDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472399976 515257527 /nfs/dbraw/zinc/25/75/27/515257527.db2.gz BAXZAEBHZNSRGT-UXHICEINSA-N 1 3 352.482 2.867 20 30 FFEDHO CN(CCNC(=O)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1)Cc1ccccc1 ZINC000559107741 517084984 /nfs/dbraw/zinc/08/49/84/517084984.db2.gz SPIOJYLDKFJJNL-FPOVZHCZSA-N 1 3 368.525 2.639 20 30 FFEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000538131619 517476137 /nfs/dbraw/zinc/47/61/37/517476137.db2.gz MFIWSHIINAVNBM-UHFFFAOYSA-N 1 3 366.456 2.617 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C#N)ccc3NC)CC2)CC1 ZINC000580449228 519183254 /nfs/dbraw/zinc/18/32/54/519183254.db2.gz JVSPZFWVANHZRB-UHFFFAOYSA-N 1 3 369.513 2.735 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C(C)C ZINC000601255763 520709431 /nfs/dbraw/zinc/70/94/31/520709431.db2.gz QUYNLRFWZXAPEA-MOPGFXCFSA-N 1 3 350.551 2.857 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)C(C)C ZINC000624614131 522822290 /nfs/dbraw/zinc/82/22/90/522822290.db2.gz KQPTZDRPEJEXQN-RBUKOAKNSA-N 1 3 350.551 2.716 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624614131 522822294 /nfs/dbraw/zinc/82/22/94/522822294.db2.gz KQPTZDRPEJEXQN-RBUKOAKNSA-N 1 3 350.551 2.716 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000876708392 732270865 /nfs/dbraw/zinc/27/08/65/732270865.db2.gz OOVSISXPFSRNCS-CQSZACIVSA-N 1 3 363.893 2.787 20 30 FFEDHO C[C@@H]1C[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC[N@@H+]1C ZINC000741791474 735162632 /nfs/dbraw/zinc/16/26/32/735162632.db2.gz VKMBBMYDKHZMQI-ILXRZTDVSA-N 1 3 356.495 2.887 20 30 FFEDHO C[C@@H]1C[C@@H](N(C)CC(=O)C(C#N)c2nc3ccccc3s2)CC[N@H+]1C ZINC000741791474 735162633 /nfs/dbraw/zinc/16/26/33/735162633.db2.gz VKMBBMYDKHZMQI-ILXRZTDVSA-N 1 3 356.495 2.887 20 30 FFEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078634 972501853 /nfs/dbraw/zinc/50/18/53/972501853.db2.gz QWUQLBIKDMUCRF-DYXWJJEUSA-N 1 3 357.542 2.587 20 30 FFEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078634 972501858 /nfs/dbraw/zinc/50/18/58/972501858.db2.gz QWUQLBIKDMUCRF-DYXWJJEUSA-N 1 3 357.542 2.587 20 30 FFEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H]1CC ZINC001087601102 968318911 /nfs/dbraw/zinc/31/89/11/968318911.db2.gz AFWGPPGPGUWUNS-ZCNNSNEGSA-N 1 3 363.546 2.565 20 30 FFEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H]1CC ZINC001087601102 968318925 /nfs/dbraw/zinc/31/89/25/968318925.db2.gz AFWGPPGPGUWUNS-ZCNNSNEGSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCN1CCC(Nc2nccnc2NC2CC[NH+](CC=C)CC2)CC1 ZINC000166485680 968733565 /nfs/dbraw/zinc/73/35/65/968733565.db2.gz KRCKMOUHQCFYIM-UHFFFAOYSA-N 1 3 356.518 2.601 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1c1ccccc1 ZINC001211684386 975181638 /nfs/dbraw/zinc/18/16/38/975181638.db2.gz VHAHZAXWOLHQEO-BHDDXSALSA-N 1 3 367.537 2.857 20 30 FFEDHO C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529484 975346952 /nfs/dbraw/zinc/34/69/52/975346952.db2.gz BDYSTOAHEMJXRD-FFZOFVMBSA-N 1 3 351.510 2.603 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cccc(C#N)c2)CC3)CC[N@@H+]1C ZINC000990764334 976971149 /nfs/dbraw/zinc/97/11/49/976971149.db2.gz QNXKAOOPQUCGTQ-ALOBAPJISA-N 1 3 366.509 2.512 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2cccc(C#N)c2)CC3)CC[N@H+]1C ZINC000990764334 976971155 /nfs/dbraw/zinc/97/11/55/976971155.db2.gz QNXKAOOPQUCGTQ-ALOBAPJISA-N 1 3 366.509 2.512 20 30 FFEDHO C=CCc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc(OC)c1OC ZINC000877022089 1014452803 /nfs/dbraw/zinc/45/28/03/1014452803.db2.gz OWNNIQLERCSSDY-UHFFFAOYSA-N 1 3 362.514 2.757 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)CC2(C)C)CC[N@@H+]1C ZINC000940757320 992147400 /nfs/dbraw/zinc/14/74/00/992147400.db2.gz ZKJFTHWGDCMXKE-NSISKUIASA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)CC2(C)C)CC[N@H+]1C ZINC000940757320 992147405 /nfs/dbraw/zinc/14/74/05/992147405.db2.gz ZKJFTHWGDCMXKE-NSISKUIASA-N 1 3 368.525 2.615 20 30 FFEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085389132 999442148 /nfs/dbraw/zinc/44/21/48/999442148.db2.gz UAKKHAUBDWDQHV-QZTJIDSGSA-N 1 3 353.938 2.878 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001092605260 1003217241 /nfs/dbraw/zinc/21/72/41/1003217241.db2.gz YKMSTOXVDNZVMD-UIFIKXQLSA-N 1 3 368.525 2.615 20 30 FFEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001092605260 1003217247 /nfs/dbraw/zinc/21/72/47/1003217247.db2.gz YKMSTOXVDNZVMD-UIFIKXQLSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001086786053 1007388619 /nfs/dbraw/zinc/38/86/19/1007388619.db2.gz GYHOJJWVRQJDBQ-RYLXDESZSA-N 1 3 368.525 2.663 20 30 FFEDHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3ccccc3C#N)C2)CC[N@H+]1C ZINC001086786053 1007388633 /nfs/dbraw/zinc/38/86/33/1007388633.db2.gz GYHOJJWVRQJDBQ-RYLXDESZSA-N 1 3 368.525 2.663 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000104180310 1009932615 /nfs/dbraw/zinc/93/26/15/1009932615.db2.gz MFHFXUDMQPCBNJ-INIZCTEOSA-N 1 3 371.460 2.902 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3C[C@H](C)CC(C)C)CC1 ZINC001110147385 1010347122 /nfs/dbraw/zinc/34/71/22/1010347122.db2.gz ZOZFBMYFFXGFBU-PBASOCQRSA-N 1 3 359.558 2.735 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)CC(C)C)CC1 ZINC001110147385 1010347130 /nfs/dbraw/zinc/34/71/30/1010347130.db2.gz ZOZFBMYFFXGFBU-PBASOCQRSA-N 1 3 359.558 2.735 20 30 FFEDHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNCc1ccccc1C#N ZINC001093835819 1010606247 /nfs/dbraw/zinc/60/62/47/1010606247.db2.gz LABPZVNFVANUOA-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CNCc1ccccc1C#N ZINC001093835819 1010606252 /nfs/dbraw/zinc/60/62/52/1010606252.db2.gz LABPZVNFVANUOA-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCN2CCCCC2)C[C@H]1C#N ZINC001172975831 1012144973 /nfs/dbraw/zinc/14/49/73/1012144973.db2.gz KCOXWONCFXARDQ-SJORKVTESA-N 1 3 350.507 2.744 20 30 FFEDHO COc1ccc(OC)c(NC(=[NH2+])NCCCN2CCc3ccccc3C2)c1 ZINC000303890172 1012501766 /nfs/dbraw/zinc/50/17/66/1012501766.db2.gz MHVUWFHOHZFDMK-UHFFFAOYSA-N 1 3 368.481 2.879 20 30 FFEDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173426705 1012582084 /nfs/dbraw/zinc/58/20/84/1012582084.db2.gz DNFFIDSQVLMDKL-WOJBJXKFSA-N 1 3 354.498 2.625 20 30 FFEDHO C=CCN(CC=C)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000678465540 1017232905 /nfs/dbraw/zinc/23/29/05/1017232905.db2.gz WLLOVZVOBGKEBH-UHFFFAOYSA-N 1 3 356.514 2.821 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC001052395747 1017397356 /nfs/dbraw/zinc/39/73/56/1017397356.db2.gz ZBCOXVGEZLPXPZ-QHAWAJNXSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001052395747 1017397368 /nfs/dbraw/zinc/39/73/68/1017397368.db2.gz ZBCOXVGEZLPXPZ-QHAWAJNXSA-N 1 3 368.525 2.759 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCNC[C@H]3C3CCCC3)CC2)nc1 ZINC000925609105 1017798499 /nfs/dbraw/zinc/79/84/99/1017798499.db2.gz OTLMPGVCBSRZKK-VQTJNVASSA-N 1 3 353.514 2.680 20 30 FFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001039440912 1022755609 /nfs/dbraw/zinc/75/56/09/1022755609.db2.gz IBLJSOLFZCCQSS-MBDNFAEBSA-N 1 3 367.537 2.973 20 30 FFEDHO C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001039440912 1022755621 /nfs/dbraw/zinc/75/56/21/1022755621.db2.gz IBLJSOLFZCCQSS-MBDNFAEBSA-N 1 3 367.537 2.973 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC001120496805 1023341409 /nfs/dbraw/zinc/34/14/09/1023341409.db2.gz KWZOSBGLJCMLGK-INIZCTEOSA-N 1 3 370.415 2.522 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001122602926 1023362219 /nfs/dbraw/zinc/36/22/19/1023362219.db2.gz YYSMLNPAQGTZFY-MOPGFXCFSA-N 1 3 372.561 2.728 20 30 FFEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364713 1024552723 /nfs/dbraw/zinc/55/27/23/1024552723.db2.gz YSFQZCYIPIGSBX-JRGCBEDISA-N 1 3 365.537 2.945 20 30 FFEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364713 1024552725 /nfs/dbraw/zinc/55/27/25/1024552725.db2.gz YSFQZCYIPIGSBX-JRGCBEDISA-N 1 3 365.537 2.945 20 30 FFEDHO N#Cc1c(NC(=O)[C@H]2C[NH2+]C[C@@H](c3ccccc3)C2)sc2c1CCNC2 ZINC001218554973 1033219967 /nfs/dbraw/zinc/21/99/67/1033219967.db2.gz XKUXENOEJXMVOG-LSDHHAIUSA-N 1 3 366.490 2.597 20 30 FFEDHO CC[C@H](C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001102356684 1025797736 /nfs/dbraw/zinc/79/77/36/1025797736.db2.gz VEKOENCZBFAKFW-CEMLEFRQSA-N 1 3 369.553 2.843 20 30 FFEDHO Cc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cnc1C#N ZINC001159468511 1027400698 /nfs/dbraw/zinc/40/06/98/1027400698.db2.gz YJTLPZMHOTYVTJ-UHFFFAOYSA-N 1 3 360.465 2.566 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CCCCCC)C[C@H]2C)CC1 ZINC001103752674 1028137757 /nfs/dbraw/zinc/13/77/57/1028137757.db2.gz TTWBNMLUZWXGJB-TZIWHRDSSA-N 1 3 361.574 2.986 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCCCCC)C[C@H]2C)CC1 ZINC001103752674 1028137762 /nfs/dbraw/zinc/13/77/62/1028137762.db2.gz TTWBNMLUZWXGJB-TZIWHRDSSA-N 1 3 361.574 2.986 20 30 FFEDHO CN(C)/C=N/c1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1C#N ZINC001163064018 1028781845 /nfs/dbraw/zinc/78/18/45/1028781845.db2.gz PIARJCBEYVIQON-WTJYETQFSA-N 1 3 350.470 2.803 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205415294 1031727772 /nfs/dbraw/zinc/72/77/72/1031727772.db2.gz MSXXLZPJFNHCDH-ZCNNSNEGSA-N 1 3 361.505 2.872 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740196 1034364603 /nfs/dbraw/zinc/36/46/03/1034364603.db2.gz BPDSNCAZHHXRTE-UXHICEINSA-N 1 3 367.578 2.796 20 30 FFEDHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccc(F)cc2)CC1 ZINC001228335007 1036053832 /nfs/dbraw/zinc/05/38/32/1036053832.db2.gz VMPVPRQIOZFNDV-NHCUHLMSSA-N 1 3 371.500 2.536 20 30 FFEDHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001228602084 1036199008 /nfs/dbraw/zinc/19/90/08/1036199008.db2.gz CFWRGRHAJLWURW-IOMROCGXSA-N 1 3 371.500 2.536 20 30 FFEDHO C=CCN1CC[C@@]2(C[N@H+]([C@H]3CCN[C@@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246703820 1039443116 /nfs/dbraw/zinc/44/31/16/1039443116.db2.gz SBYSZGQNWOMBKW-KMQSCTNJSA-N 1 3 353.510 2.631 20 30 FFEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCN[C@@H](C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246703820 1039443123 /nfs/dbraw/zinc/44/31/23/1039443123.db2.gz SBYSZGQNWOMBKW-KMQSCTNJSA-N 1 3 353.510 2.631 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868499 1041011129 /nfs/dbraw/zinc/01/11/29/1041011129.db2.gz YEKKVURNJBKFSY-WOJBJXKFSA-N 1 3 365.562 2.814 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916829 1041073149 /nfs/dbraw/zinc/07/31/49/1041073149.db2.gz MHBSAMIWHGNVRI-RTBURBONSA-N 1 3 353.551 2.648 20 30 FFEDHO N#Cc1ccc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001278591193 1041306232 /nfs/dbraw/zinc/30/62/32/1041306232.db2.gz MSQVYKNTFBGLPT-UHFFFAOYSA-N 1 3 350.470 2.555 20 30 FFEDHO N#Cc1ccc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001278591193 1041306243 /nfs/dbraw/zinc/30/62/43/1041306243.db2.gz MSQVYKNTFBGLPT-UHFFFAOYSA-N 1 3 350.470 2.555 20 30 FFEDHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001216846424 1042142676 /nfs/dbraw/zinc/14/26/76/1042142676.db2.gz DGZAKMZQJJHFPD-CEMLEFRQSA-N 1 3 367.537 2.595 20 30 FFEDHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001264099680 1042625385 /nfs/dbraw/zinc/62/53/85/1042625385.db2.gz LIPWRXTZGGGBKT-RTWAWAEBSA-N 1 3 368.525 2.570 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001343824358 1052438940 /nfs/dbraw/zinc/43/89/40/1052438940.db2.gz UQAIOFFTZCLNHJ-OKZBNKHCSA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001343824358 1052438942 /nfs/dbraw/zinc/43/89/42/1052438942.db2.gz UQAIOFFTZCLNHJ-OKZBNKHCSA-N 1 3 360.550 2.582 20 30 FFEDHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1ccc(C#N)cc1 ZINC001493292016 1063129427 /nfs/dbraw/zinc/12/94/27/1063129427.db2.gz WYKLVZMUYVOXLK-VQTJNVASSA-N 1 3 356.514 2.617 20 30 FFEDHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1ccc(C#N)cc1 ZINC001493292016 1063129436 /nfs/dbraw/zinc/12/94/36/1063129436.db2.gz WYKLVZMUYVOXLK-VQTJNVASSA-N 1 3 356.514 2.617 20 30 FFEDHO CC[NH+](CC)CCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1OC ZINC000276730293 256125328 /nfs/dbraw/zinc/12/53/28/256125328.db2.gz DHXFJQHFJOLGMO-UHFFFAOYSA-N 1 3 370.497 2.916 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000050031946 507654363 /nfs/dbraw/zinc/65/43/63/507654363.db2.gz ZAXZJAVFRIJSLV-IBGZPJMESA-N 1 3 367.537 2.880 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000050031946 507654370 /nfs/dbraw/zinc/65/43/70/507654370.db2.gz ZAXZJAVFRIJSLV-IBGZPJMESA-N 1 3 367.537 2.880 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC000079440375 507962437 /nfs/dbraw/zinc/96/24/37/507962437.db2.gz ZVGDSCOWXLHFRT-UXHICEINSA-N 1 3 362.562 2.955 20 30 FFEDHO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000248398581 509293862 /nfs/dbraw/zinc/29/38/62/509293862.db2.gz NMWGPSDFZDRMAW-JBYIUTFZSA-N 1 3 370.541 2.787 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000193132174 509793346 /nfs/dbraw/zinc/79/33/46/509793346.db2.gz RYMIOWSXOHNMGF-LJQANCHMSA-N 1 3 350.551 2.857 20 30 FFEDHO C=CCN1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000171710046 510324100 /nfs/dbraw/zinc/32/41/00/510324100.db2.gz PHWDVMANISLPMW-UHFFFAOYSA-N 1 3 356.514 2.732 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)CC1 ZINC000171739886 510340440 /nfs/dbraw/zinc/34/04/40/510340440.db2.gz OEGDPTJHDNMRAS-UHFFFAOYSA-N 1 3 362.493 2.549 20 30 FFEDHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000184747563 510496965 /nfs/dbraw/zinc/49/69/65/510496965.db2.gz JYWDNKGKURQAMI-HOIFWPIMSA-N 1 3 368.525 2.541 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1C ZINC000178586737 510674690 /nfs/dbraw/zinc/67/46/90/510674690.db2.gz QIRJSSXINQPGFU-SFHVURJKSA-N 1 3 357.502 2.747 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1C ZINC000178586737 510674694 /nfs/dbraw/zinc/67/46/94/510674694.db2.gz QIRJSSXINQPGFU-SFHVURJKSA-N 1 3 357.502 2.747 20 30 FFEDHO C=CCN1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000185386260 510831876 /nfs/dbraw/zinc/83/18/76/510831876.db2.gz FYNFFSBIRRGIJJ-UHFFFAOYSA-N 1 3 350.551 2.981 20 30 FFEDHO [NH2+]=C(NCc1ccc(CN2CCC(O)CC2)cc1)NC1CCCCCC1 ZINC000271270115 511144295 /nfs/dbraw/zinc/14/42/95/511144295.db2.gz NEXQXDLBQRWBQO-UHFFFAOYSA-N 1 3 358.530 2.770 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000299200163 511550406 /nfs/dbraw/zinc/55/04/06/511550406.db2.gz FPMDGRXCAWQGGZ-HKUYNNGSSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000299200163 511550410 /nfs/dbraw/zinc/55/04/10/511550410.db2.gz FPMDGRXCAWQGGZ-HKUYNNGSSA-N 1 3 372.513 2.613 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000303345344 511735299 /nfs/dbraw/zinc/73/52/99/511735299.db2.gz PTDIMXGZIUIFGC-UHFFFAOYSA-N 1 3 362.562 2.934 20 30 FFEDHO C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374318387 512763678 /nfs/dbraw/zinc/76/36/78/512763678.db2.gz QQNNJWZGWPSOOH-RXVVDRJESA-N 1 3 354.542 2.946 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000417536248 514397387 /nfs/dbraw/zinc/39/73/87/514397387.db2.gz JVZHRJCQBHZWGX-UXHICEINSA-N 1 3 374.504 2.692 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C#N)cc3OC)CC2)CC1 ZINC000420977462 514416862 /nfs/dbraw/zinc/41/68/62/514416862.db2.gz IEVSVKABCVQZOK-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C#N)cc3OC)CC2)CC1 ZINC000420977462 514416870 /nfs/dbraw/zinc/41/68/70/514416870.db2.gz IEVSVKABCVQZOK-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)cc3OC)CC2)CC1 ZINC000420977462 514416873 /nfs/dbraw/zinc/41/68/73/514416873.db2.gz IEVSVKABCVQZOK-UHFFFAOYSA-N 1 3 356.514 2.559 20 30 FFEDHO N#CCNC(=O)CN1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459532052 515623483 /nfs/dbraw/zinc/62/34/83/515623483.db2.gz HVLYWPGRZFCSOH-NRFANRHFSA-N 1 3 368.525 2.783 20 30 FFEDHO N#CCNC(=O)C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459532052 515623492 /nfs/dbraw/zinc/62/34/92/515623492.db2.gz HVLYWPGRZFCSOH-NRFANRHFSA-N 1 3 368.525 2.783 20 30 FFEDHO N#CCNC(=O)C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459532052 515623501 /nfs/dbraw/zinc/62/35/01/515623501.db2.gz HVLYWPGRZFCSOH-NRFANRHFSA-N 1 3 368.525 2.783 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000517998045 516516696 /nfs/dbraw/zinc/51/66/96/516516696.db2.gz VTGBBDVKBIWLHK-HXUWFJFHSA-N 1 3 356.514 2.601 20 30 FFEDHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000519574007 517053849 /nfs/dbraw/zinc/05/38/49/517053849.db2.gz ZXQFFKFCPZBDIB-UHFFFAOYSA-N 1 3 356.436 2.892 20 30 FFEDHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000519574007 517053854 /nfs/dbraw/zinc/05/38/54/517053854.db2.gz ZXQFFKFCPZBDIB-UHFFFAOYSA-N 1 3 356.436 2.892 20 30 FFEDHO C=CCN1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000559613343 517341717 /nfs/dbraw/zinc/34/17/17/517341717.db2.gz KPCVYDUGWJGKPG-HUUCEWRRSA-N 1 3 361.452 2.662 20 30 FFEDHO C=CCN1CCC(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000559613343 517341727 /nfs/dbraw/zinc/34/17/27/517341727.db2.gz KPCVYDUGWJGKPG-HUUCEWRRSA-N 1 3 361.452 2.662 20 30 FFEDHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)C1 ZINC000594440641 519967650 /nfs/dbraw/zinc/96/76/50/519967650.db2.gz HGTPBUCSWOGKMT-PXNSSMCTSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CCCCC#N)cc2)C1 ZINC000594440641 519967656 /nfs/dbraw/zinc/96/76/56/519967656.db2.gz HGTPBUCSWOGKMT-PXNSSMCTSA-N 1 3 356.514 2.946 20 30 FFEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000592479274 520407639 /nfs/dbraw/zinc/40/76/39/520407639.db2.gz TWCNEPNXMLXVHP-UHFFFAOYSA-N 1 3 358.530 2.978 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000592507299 520426631 /nfs/dbraw/zinc/42/66/31/520426631.db2.gz RYRBFKZSEQCQJX-XLIONFOSSA-N 1 3 356.514 2.772 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000592507299 520426634 /nfs/dbraw/zinc/42/66/34/520426634.db2.gz RYRBFKZSEQCQJX-XLIONFOSSA-N 1 3 356.514 2.772 20 30 FFEDHO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000600747457 520444161 /nfs/dbraw/zinc/44/41/61/520444161.db2.gz XNMKGQNTVMHGIU-PMACEKPBSA-N 1 3 353.510 2.933 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000602514691 521389013 /nfs/dbraw/zinc/38/90/13/521389013.db2.gz LLUJKFOZMYOBSV-IBGZPJMESA-N 1 3 370.541 2.623 20 30 FFEDHO CC[NH+](CC)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744422654 735353530 /nfs/dbraw/zinc/35/35/30/735353530.db2.gz NHADVBFTUDYBFD-CABCVRRESA-N 1 3 356.495 2.889 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC(F)F ZINC000304660550 729736710 /nfs/dbraw/zinc/73/67/10/729736710.db2.gz ADYUDBIDBGOSKJ-ZDUSSCGKSA-N 1 3 360.836 2.830 20 30 FFEDHO CC[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000304472603 729736774 /nfs/dbraw/zinc/73/67/74/729736774.db2.gz FNMMXXUQEWGPCX-CQSZACIVSA-N 1 3 358.408 2.864 20 30 FFEDHO C=C(CC[NH+](C)C)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000913426589 737404410 /nfs/dbraw/zinc/40/44/10/737404410.db2.gz WEZVTMMPDXCHGQ-MRXNPFEDSA-N 1 3 357.420 2.932 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000960642319 1013437132 /nfs/dbraw/zinc/43/71/32/1013437132.db2.gz IDBYLCJMBOWCNO-PCCBWWKXSA-N 1 3 368.525 2.711 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000960642319 1013437136 /nfs/dbraw/zinc/43/71/36/1013437136.db2.gz IDBYLCJMBOWCNO-PCCBWWKXSA-N 1 3 368.525 2.711 20 30 FFEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001024666741 969242159 /nfs/dbraw/zinc/24/21/59/969242159.db2.gz ULYPBBQHTBUIHY-NJYVYQBISA-N 1 3 355.526 2.879 20 30 FFEDHO C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001024666741 969242167 /nfs/dbraw/zinc/24/21/67/969242167.db2.gz ULYPBBQHTBUIHY-NJYVYQBISA-N 1 3 355.526 2.879 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001104573190 969734994 /nfs/dbraw/zinc/73/49/94/969734994.db2.gz LGNJRTDRPTXNLV-NXHRZFHOSA-N 1 3 355.954 2.935 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573190 969734997 /nfs/dbraw/zinc/73/49/97/969734997.db2.gz LGNJRTDRPTXNLV-NXHRZFHOSA-N 1 3 355.954 2.935 20 30 FFEDHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001104639220 970008249 /nfs/dbraw/zinc/00/82/49/970008249.db2.gz LLHCBASRXKUZDI-CEMLEFRQSA-N 1 3 369.553 2.699 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001104676760 970086098 /nfs/dbraw/zinc/08/60/98/970086098.db2.gz WYMWHZMJOLYHLE-KCZVDYSFSA-N 1 3 367.537 2.597 20 30 FFEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530251 975503620 /nfs/dbraw/zinc/50/36/20/975503620.db2.gz LLCOMDRUKDUJRI-LPHOPBHVSA-N 1 3 353.938 2.689 20 30 FFEDHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107583347 984749946 /nfs/dbraw/zinc/74/99/46/984749946.db2.gz YCGIJXRKDPJMJP-IFMALSPDSA-N 1 3 368.525 2.761 20 30 FFEDHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001107583347 984749947 /nfs/dbraw/zinc/74/99/47/984749947.db2.gz YCGIJXRKDPJMJP-IFMALSPDSA-N 1 3 368.525 2.761 20 30 FFEDHO C#CCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000914330321 987444857 /nfs/dbraw/zinc/44/48/57/987444857.db2.gz PTZRXQMLIPXLDV-UYAOXDASSA-N 1 3 368.525 2.561 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079202545 991878478 /nfs/dbraw/zinc/87/84/78/991878478.db2.gz ZLTGWAXRIHPZRS-PWRODBHTSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079202545 991878484 /nfs/dbraw/zinc/87/84/84/991878484.db2.gz ZLTGWAXRIHPZRS-PWRODBHTSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@H]2C)CC1 ZINC001080997858 993548497 /nfs/dbraw/zinc/54/84/97/993548497.db2.gz MTXFPAGFWQQCBL-WOIUINJBSA-N 1 3 367.537 2.838 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@H]2C)CC1 ZINC001080997858 993548504 /nfs/dbraw/zinc/54/85/04/993548504.db2.gz MTXFPAGFWQQCBL-WOIUINJBSA-N 1 3 367.537 2.838 20 30 FFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131608603 994455353 /nfs/dbraw/zinc/45/53/53/994455353.db2.gz HQBYSSHRWBEKAE-QFUCXCTJSA-N 1 3 365.562 2.667 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC001086882524 1001299658 /nfs/dbraw/zinc/29/96/58/1001299658.db2.gz UZRIJGCTKHNONX-CNNODRBYSA-N 1 3 367.537 2.967 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CCCC2)CC3)CC1 ZINC001094582805 1011266280 /nfs/dbraw/zinc/26/62/80/1011266280.db2.gz XXRYGRRWTKJGHA-FYYLOGMGSA-N 1 3 371.569 2.883 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CCCC2)CC3)CC1 ZINC001094582805 1011266294 /nfs/dbraw/zinc/26/62/94/1011266294.db2.gz XXRYGRRWTKJGHA-FYYLOGMGSA-N 1 3 371.569 2.883 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)CC(C)C)c1 ZINC000303881346 1012499172 /nfs/dbraw/zinc/49/91/72/1012499172.db2.gz KVADUJQCBBCSNT-SFHVURJKSA-N 1 3 359.518 2.560 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC001052395746 1017396638 /nfs/dbraw/zinc/39/66/38/1017396638.db2.gz ZBCOXVGEZLPXPZ-PCCBWWKXSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001052395746 1017396643 /nfs/dbraw/zinc/39/66/43/1017396643.db2.gz ZBCOXVGEZLPXPZ-PCCBWWKXSA-N 1 3 368.525 2.759 20 30 FFEDHO C#C[C@@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000827566329 1018497397 /nfs/dbraw/zinc/49/73/97/1018497397.db2.gz VCDRZTGOMXCKKT-OAQYLSRUSA-N 1 3 355.526 2.735 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331212 1023195617 /nfs/dbraw/zinc/19/56/17/1023195617.db2.gz JWPXDHPQUNHSOU-ANULTFPQSA-N 1 3 368.525 2.815 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001122331212 1023195624 /nfs/dbraw/zinc/19/56/24/1023195624.db2.gz JWPXDHPQUNHSOU-ANULTFPQSA-N 1 3 368.525 2.815 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000948386246 1023247936 /nfs/dbraw/zinc/24/79/36/1023247936.db2.gz USVTZSBEPQGUFW-DUXKGJEZSA-N 1 3 368.525 2.711 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000948386246 1023247945 /nfs/dbraw/zinc/24/79/45/1023247945.db2.gz USVTZSBEPQGUFW-DUXKGJEZSA-N 1 3 368.525 2.711 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000753298060 1023302496 /nfs/dbraw/zinc/30/24/96/1023302496.db2.gz FGTOGXHLQHFFBN-FPOVZHCZSA-N 1 3 367.537 2.749 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000753298060 1023302503 /nfs/dbraw/zinc/30/25/03/1023302503.db2.gz FGTOGXHLQHFFBN-FPOVZHCZSA-N 1 3 367.537 2.749 20 30 FFEDHO N#Cc1c(NC(=O)C[C@H]([NH3+])Cc2ccccc2Cl)sc2c1CCNC2 ZINC001218553819 1033218379 /nfs/dbraw/zinc/21/83/79/1033218379.db2.gz TTWDNPYCVADXMM-GFCCVEGCSA-N 1 3 374.897 2.817 20 30 FFEDHO CC[C@@H](C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001102356685 1025796654 /nfs/dbraw/zinc/79/66/54/1025796654.db2.gz VEKOENCZBFAKFW-FCEUIQTBSA-N 1 3 369.553 2.843 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001102596648 1026391064 /nfs/dbraw/zinc/39/10/64/1026391064.db2.gz QZUKCEMTTAUBEG-SFHLNBCPSA-N 1 3 361.574 2.698 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001102596648 1026391077 /nfs/dbraw/zinc/39/10/77/1026391077.db2.gz QZUKCEMTTAUBEG-SFHLNBCPSA-N 1 3 361.574 2.698 20 30 FFEDHO N#Cc1ccc(-c2cc(C(F)(F)N[C@H](N)CCC[NH3+])cnc2Cl)cc1 ZINC001159789971 1027498481 /nfs/dbraw/zinc/49/84/81/1027498481.db2.gz ZEEIBNOFSWORDY-HNNXBMFYSA-N 1 3 365.815 2.936 20 30 FFEDHO CN(C)CCN(C(=O)c1ccc(C#C[Si](C)(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001161449970 1028179544 /nfs/dbraw/zinc/17/95/44/1028179544.db2.gz WVZFLBRQNLFGKB-FQEVSTJZSA-N 1 3 371.601 2.671 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167172 1030132125 /nfs/dbraw/zinc/13/21/25/1030132125.db2.gz HBLNFYZZZJXKHR-HUUCEWRRSA-N 1 3 363.468 2.909 20 30 FFEDHO CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001112171683 1030141294 /nfs/dbraw/zinc/14/12/94/1030141294.db2.gz URDOGFVDELMWHU-HUUCEWRRSA-N 1 3 360.424 2.902 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1F ZINC001205652889 1031906217 /nfs/dbraw/zinc/90/62/17/1031906217.db2.gz CZVIXQCLOYOAKD-IMFGXOCKSA-N 1 3 359.489 2.628 20 30 FFEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1CC[C@H](C#N)C1 ZINC001227159663 1034955456 /nfs/dbraw/zinc/95/54/56/1034955456.db2.gz JHVUSQZWBINZEZ-OXJNMPFZSA-N 1 3 358.530 2.942 20 30 FFEDHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001228445273 1036116995 /nfs/dbraw/zinc/11/69/95/1036116995.db2.gz NIYXUMYFFLBHDE-KZNAEPCWSA-N 1 3 362.543 2.723 20 30 FFEDHO C=CCN(CC=C)CCN1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256922326 1038657646 /nfs/dbraw/zinc/65/76/46/1038657646.db2.gz CYIJZYWFVJCAGO-JOCHJYFZSA-N 1 3 360.590 2.685 20 30 FFEDHO C=CCN(CC=C)CCN1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256922326 1038657650 /nfs/dbraw/zinc/65/76/50/1038657650.db2.gz CYIJZYWFVJCAGO-JOCHJYFZSA-N 1 3 360.590 2.685 20 30 FFEDHO Cn1cccc1CN1CCC2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001278518681 1040876685 /nfs/dbraw/zinc/87/66/85/1040876685.db2.gz WMELQJLMMQRXSU-UHFFFAOYSA-N 1 3 351.498 2.723 20 30 FFEDHO Cn1cccc1CN1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001278518681 1040876693 /nfs/dbraw/zinc/87/66/93/1040876693.db2.gz WMELQJLMMQRXSU-UHFFFAOYSA-N 1 3 351.498 2.723 20 30 FFEDHO C=CCN(CC=C)CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255121231 1041154671 /nfs/dbraw/zinc/15/46/71/1041154671.db2.gz WRAJGECJNCCPFI-QHCPKHFHSA-N 1 3 368.569 2.553 20 30 FFEDHO C=CCN(CC=C)CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255121231 1041154673 /nfs/dbraw/zinc/15/46/73/1041154673.db2.gz WRAJGECJNCCPFI-QHCPKHFHSA-N 1 3 368.569 2.553 20 30 FFEDHO CSc1nc(CN2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278842898 1041163742 /nfs/dbraw/zinc/16/37/42/1041163742.db2.gz GDYOSDUUQNBIRW-HXUWFJFHSA-N 1 3 373.570 2.525 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1cccc(C#N)c1 ZINC001264627083 1042757650 /nfs/dbraw/zinc/75/76/50/1042757650.db2.gz FUSAFWZWFPBXHK-LEWJYISDSA-N 1 3 368.525 2.903 20 30 FFEDHO Cc1ncc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)o1 ZINC001279497134 1043187436 /nfs/dbraw/zinc/18/74/36/1043187436.db2.gz WMKXZMUAPODMAL-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO Cc1ncc(C[N@H+]2C[C@@H]3CCN(Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)o1 ZINC001279497134 1043187437 /nfs/dbraw/zinc/18/74/37/1043187437.db2.gz WMKXZMUAPODMAL-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO CCCCCCCCCCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244192 1043623242 /nfs/dbraw/zinc/62/32/42/1043623242.db2.gz XHKUSSOXRDGXPU-GOSISDBHSA-N 1 3 373.607 2.921 20 30 FFEDHO CCCCCCCCCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238244192 1043623248 /nfs/dbraw/zinc/62/32/48/1043623248.db2.gz XHKUSSOXRDGXPU-GOSISDBHSA-N 1 3 373.607 2.921 20 30 FFEDHO CC(C)N1CCN(c2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cn2)CC1 ZINC001240345886 1044317990 /nfs/dbraw/zinc/31/79/90/1044317990.db2.gz SGFADXKMIWZONB-UHFFFAOYSA-N 1 3 361.493 2.837 20 30 FFEDHO CC(C)N1CCN(C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)CC1 ZINC000371340563 512342130 /nfs/dbraw/zinc/34/21/30/512342130.db2.gz GGUYRNQYCUDJOV-UHFFFAOYSA-N 1 3 370.541 2.818 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000369324106 512352295 /nfs/dbraw/zinc/35/22/95/512352295.db2.gz SDVKYADKAWZDQL-RTBURBONSA-N 1 3 362.562 2.933 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000369324106 512352298 /nfs/dbraw/zinc/35/22/98/512352298.db2.gz SDVKYADKAWZDQL-RTBURBONSA-N 1 3 362.562 2.933 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000106263915 508398738 /nfs/dbraw/zinc/39/87/38/508398738.db2.gz XONUFWPHESRQDZ-SFHVURJKSA-N 1 3 350.551 2.838 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000106263915 508398739 /nfs/dbraw/zinc/39/87/39/508398739.db2.gz XONUFWPHESRQDZ-SFHVURJKSA-N 1 3 350.551 2.838 20 30 FFEDHO C[NH+]=C(NCc1coc(-c2cccs2)n1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000158196596 508670770 /nfs/dbraw/zinc/67/07/70/508670770.db2.gz KCQQIPVPSSGIEP-ZFWWWQNUSA-N 1 3 361.515 2.797 20 30 FFEDHO C=CCN1CCC(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000179033441 509232406 /nfs/dbraw/zinc/23/24/06/509232406.db2.gz DPSWEYGCYJFYHW-UHFFFAOYSA-N 1 3 362.562 2.979 20 30 FFEDHO COc1ccc(NC(=[NH2+])NCCCN(C)Cc2ccccc2)cc1OC ZINC000264148298 509351897 /nfs/dbraw/zinc/35/18/97/509351897.db2.gz YLPJNXHDZAMVSC-UHFFFAOYSA-N 1 3 356.470 2.953 20 30 FFEDHO COc1ccc(NC(=[NH2+])NCCc2ccc(OCCN(C)C)cc2)cc1 ZINC000264261432 509419844 /nfs/dbraw/zinc/41/98/44/509419844.db2.gz JJZDNCGZUXWWCN-UHFFFAOYSA-N 1 3 356.470 2.605 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000193132189 509793066 /nfs/dbraw/zinc/79/30/66/509793066.db2.gz RYMIOWSXOHNMGF-IBGZPJMESA-N 1 3 350.551 2.857 20 30 FFEDHO CN1CC[NH+]=C1NC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262661107 510357602 /nfs/dbraw/zinc/35/76/02/510357602.db2.gz MXUWYHGWWNCAQF-ZBFHGGJFSA-N 1 3 354.420 2.979 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000175513296 510668352 /nfs/dbraw/zinc/66/83/52/510668352.db2.gz VCTHIXQLUYLVKS-UHFFFAOYSA-N 1 3 350.551 2.694 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000178809322 510784238 /nfs/dbraw/zinc/78/42/38/510784238.db2.gz SEFMBQOKAAXGAE-QGZVFWFLSA-N 1 3 371.529 2.557 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000247446441 510861039 /nfs/dbraw/zinc/86/10/39/510861039.db2.gz PVZFAELCWYGGOR-MJGOQNOKSA-N 1 3 359.539 2.592 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000247446441 510861040 /nfs/dbraw/zinc/86/10/40/510861040.db2.gz PVZFAELCWYGGOR-MJGOQNOKSA-N 1 3 359.539 2.592 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000276034897 510924896 /nfs/dbraw/zinc/92/48/96/510924896.db2.gz FDDMBYHWKFZVBE-UHFFFAOYSA-N 1 3 358.530 2.630 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000280270767 511400783 /nfs/dbraw/zinc/40/07/83/511400783.db2.gz CYDZOXIBFONJQV-VQTJNVASSA-N 1 3 350.466 2.717 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000281507022 511871403 /nfs/dbraw/zinc/87/14/03/511871403.db2.gz ILBULYSADPOHOI-SFHLNBCPSA-N 1 3 362.477 2.716 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000281507022 511871406 /nfs/dbraw/zinc/87/14/06/511871406.db2.gz ILBULYSADPOHOI-SFHLNBCPSA-N 1 3 362.477 2.716 20 30 FFEDHO C=CCCCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000367776250 512657934 /nfs/dbraw/zinc/65/79/34/512657934.db2.gz LWRJKRXYHICVKW-UHFFFAOYSA-N 1 3 350.551 2.981 20 30 FFEDHO N#Cc1ccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000397582256 512947906 /nfs/dbraw/zinc/94/79/06/512947906.db2.gz GVRZRWCFXVCOOY-UHFFFAOYSA-N 1 3 353.441 2.814 20 30 FFEDHO C=CCN1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433065714 514368481 /nfs/dbraw/zinc/36/84/81/514368481.db2.gz DFSVOOABXRXBBH-HXUWFJFHSA-N 1 3 353.510 2.761 20 30 FFEDHO C=CCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000415139545 514464488 /nfs/dbraw/zinc/46/44/88/514464488.db2.gz ZURQRUJOSSLILW-RXVVDRJESA-N 1 3 360.498 2.978 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccc(C#N)c3)CC2)CC1 ZINC000557489655 518033054 /nfs/dbraw/zinc/03/30/54/518033054.db2.gz VSGTUBIGMWHKGQ-UHFFFAOYSA-N 1 3 368.525 2.713 20 30 FFEDHO C[C@@H]1C[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C[N@@H+]1Cc1ccccc1 ZINC000576108215 518432704 /nfs/dbraw/zinc/43/27/04/518432704.db2.gz QYWVIGUKMDOPBD-IEBWSBKVSA-N 1 3 374.492 2.991 20 30 FFEDHO C[C@@H]1C[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C[N@H+]1Cc1ccccc1 ZINC000576108215 518432711 /nfs/dbraw/zinc/43/27/11/518432711.db2.gz QYWVIGUKMDOPBD-IEBWSBKVSA-N 1 3 374.492 2.991 20 30 FFEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H](N)CCCCC#N ZINC000594436641 519964408 /nfs/dbraw/zinc/96/44/08/519964408.db2.gz FDRPALFCZZYEDS-ZHALLVOQSA-N 1 3 356.514 2.670 20 30 FFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600716446 520418110 /nfs/dbraw/zinc/41/81/10/520418110.db2.gz LKJUXUWJFNOZJS-FQEVSTJZSA-N 1 3 359.514 2.688 20 30 FFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)CC1(C#N)CCOCC1 ZINC000600716446 520418123 /nfs/dbraw/zinc/41/81/23/520418123.db2.gz LKJUXUWJFNOZJS-FQEVSTJZSA-N 1 3 359.514 2.688 20 30 FFEDHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598715483 520806350 /nfs/dbraw/zinc/80/63/50/520806350.db2.gz RNUDPJGPPPQTSZ-NRFANRHFSA-N 1 3 372.557 2.788 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000596797400 521291196 /nfs/dbraw/zinc/29/11/96/521291196.db2.gz RUMXVVGARHXQNO-ZDUSSCGKSA-N 1 3 351.882 2.605 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000596797400 521291202 /nfs/dbraw/zinc/29/12/02/521291202.db2.gz RUMXVVGARHXQNO-ZDUSSCGKSA-N 1 3 351.882 2.605 20 30 FFEDHO C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccc(Br)cc1 ZINC000263062306 729678057 /nfs/dbraw/zinc/67/80/57/729678057.db2.gz FQOXQERWLGEZHX-JKSUJKDBSA-N 1 3 363.303 2.512 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000876777434 732280148 /nfs/dbraw/zinc/28/01/48/732280148.db2.gz MTYRNHIQEXBLEI-SUMWQHHRSA-N 1 3 351.878 2.816 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000876777434 732280150 /nfs/dbraw/zinc/28/01/50/732280150.db2.gz MTYRNHIQEXBLEI-SUMWQHHRSA-N 1 3 351.878 2.816 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000849275362 749083199 /nfs/dbraw/zinc/08/31/99/749083199.db2.gz MNWUWXMDLLLZOB-ZDUSSCGKSA-N 1 3 367.950 2.770 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000849275362 749083205 /nfs/dbraw/zinc/08/32/05/749083205.db2.gz MNWUWXMDLLLZOB-ZDUSSCGKSA-N 1 3 367.950 2.770 20 30 FFEDHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1CCNCc1ccccc1C#N ZINC001104924102 971165150 /nfs/dbraw/zinc/16/51/50/971165150.db2.gz GSQLQOBPCBUMQG-WIYYLYMNSA-N 1 3 370.541 2.864 20 30 FFEDHO C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660573058 972257553 /nfs/dbraw/zinc/25/75/53/972257553.db2.gz GAQVMKGWSQRKHH-FXAWDEMLSA-N 1 3 362.562 2.979 20 30 FFEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078635 972502278 /nfs/dbraw/zinc/50/22/78/972502278.db2.gz QWUQLBIKDMUCRF-SVFBPWRDSA-N 1 3 357.542 2.587 20 30 FFEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078635 972502287 /nfs/dbraw/zinc/50/22/87/972502287.db2.gz QWUQLBIKDMUCRF-SVFBPWRDSA-N 1 3 357.542 2.587 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC001211598792 967725854 /nfs/dbraw/zinc/72/58/54/967725854.db2.gz JLXFOAFVIKEKAR-LEWJYISDSA-N 1 3 367.537 2.858 20 30 FFEDHO C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529823 975365866 /nfs/dbraw/zinc/36/58/66/975365866.db2.gz QVLFHEQKNDEUEC-DZFGPLHGSA-N 1 3 365.537 2.993 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccc(C#N)cc2)CC3)CC[N@@H+]1C ZINC000990758502 976911558 /nfs/dbraw/zinc/91/15/58/976911558.db2.gz AEGWBDYOITYHET-DEZRYOJYSA-N 1 3 366.509 2.512 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccc(C#N)cc2)CC3)CC[N@H+]1C ZINC000990758502 976911563 /nfs/dbraw/zinc/91/15/63/976911563.db2.gz AEGWBDYOITYHET-DEZRYOJYSA-N 1 3 366.509 2.512 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1cccc(F)c1 ZINC001079211276 991877808 /nfs/dbraw/zinc/87/78/08/991877808.db2.gz ZMRMPGJVNCYXKE-ZCNNSNEGSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187381 991897212 /nfs/dbraw/zinc/89/72/12/991897212.db2.gz CHOMNVAVPLWDSJ-PCCBWWKXSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187381 991897217 /nfs/dbraw/zinc/89/72/17/991897217.db2.gz CHOMNVAVPLWDSJ-PCCBWWKXSA-N 1 3 371.500 2.606 20 30 FFEDHO Cc1ccc(NC(=[NH2+])NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000104162781 994590084 /nfs/dbraw/zinc/59/00/84/994590084.db2.gz WBUNLQOQYKDYJW-UHFFFAOYSA-N 1 3 351.498 2.669 20 30 FFEDHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082783116 995491548 /nfs/dbraw/zinc/49/15/48/995491548.db2.gz BTJWRXQZQGCRAW-DUXKGJEZSA-N 1 3 368.525 2.758 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C)cc2)CC1 ZINC001085432841 999517854 /nfs/dbraw/zinc/51/78/54/999517854.db2.gz SKAVAUHGLUAKJZ-FGZHOGPDSA-N 1 3 367.537 2.857 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2)CC1 ZINC001085432694 999517974 /nfs/dbraw/zinc/51/79/74/999517974.db2.gz KVPWCFPEDHKERR-NHCUHLMSSA-N 1 3 371.500 2.688 20 30 FFEDHO C[N@@H+]1CCC[C@@H](CCNc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001156385367 1000081101 /nfs/dbraw/zinc/08/11/01/1000081101.db2.gz DVPFPLVKZNVOOK-GJZGRUSLSA-N 1 3 359.474 2.569 20 30 FFEDHO C[N@H+]1CCC[C@@H](CCNc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001156385367 1000081102 /nfs/dbraw/zinc/08/11/02/1000081102.db2.gz DVPFPLVKZNVOOK-GJZGRUSLSA-N 1 3 359.474 2.569 20 30 FFEDHO C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001186202977 1003221157 /nfs/dbraw/zinc/22/11/57/1003221157.db2.gz BZQZPCOHQIFMCL-UYAOXDASSA-N 1 3 361.505 2.875 20 30 FFEDHO C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001186202977 1003221163 /nfs/dbraw/zinc/22/11/63/1003221163.db2.gz BZQZPCOHQIFMCL-UYAOXDASSA-N 1 3 361.505 2.875 20 30 FFEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001092658046 1003362350 /nfs/dbraw/zinc/36/23/50/1003362350.db2.gz DKZVBNLVGAIBTN-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001092658046 1003362359 /nfs/dbraw/zinc/36/23/59/1003362359.db2.gz DKZVBNLVGAIBTN-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001092658047 1003363084 /nfs/dbraw/zinc/36/30/84/1003363084.db2.gz DKZVBNLVGAIBTN-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001092658047 1003363102 /nfs/dbraw/zinc/36/31/02/1003363102.db2.gz DKZVBNLVGAIBTN-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)N1CCCC1 ZINC001488944553 1005383290 /nfs/dbraw/zinc/38/32/90/1005383290.db2.gz JUWXCPYMTKIXKF-VQTJNVASSA-N 1 3 368.525 2.807 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C\CCC)CC1 ZINC001110147079 1010344318 /nfs/dbraw/zinc/34/43/18/1010344318.db2.gz JIOFNUONSZZHEW-VVYLACHHSA-N 1 3 357.542 2.800 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C\CCC)CC1 ZINC001110147079 1010344331 /nfs/dbraw/zinc/34/43/31/1010344331.db2.gz JIOFNUONSZZHEW-VVYLACHHSA-N 1 3 357.542 2.800 20 30 FFEDHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172982023 1012151493 /nfs/dbraw/zinc/15/14/93/1012151493.db2.gz RGODPFUKCAZYEG-NXOAAHMSSA-N 1 3 350.507 2.740 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)CC(C)C)c1 ZINC000303881344 1012499444 /nfs/dbraw/zinc/49/94/44/1012499444.db2.gz KVADUJQCBBCSNT-GOSISDBHSA-N 1 3 359.518 2.560 20 30 FFEDHO CN1CCN(CCCNC(=[NH2+])NC2CCCCC2)[C@H](c2ccccc2)C1 ZINC000303889432 1012501577 /nfs/dbraw/zinc/50/15/77/1012501577.db2.gz LVZUEMQIGLUAJW-FQEVSTJZSA-N 1 3 357.546 2.602 20 30 FFEDHO C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001099079828 1021733073 /nfs/dbraw/zinc/73/30/73/1021733073.db2.gz JRHRSFZEZPJWED-CEXWTWQISA-N 1 3 365.562 2.526 20 30 FFEDHO C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001099079828 1021733085 /nfs/dbraw/zinc/73/30/85/1021733085.db2.gz JRHRSFZEZPJWED-CEXWTWQISA-N 1 3 365.562 2.526 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099346916 1022341326 /nfs/dbraw/zinc/34/13/26/1022341326.db2.gz QFLUCCQUDNAYCB-BZUAXINKSA-N 1 3 361.452 2.662 20 30 FFEDHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccccc1O2 ZINC001120480737 1023336681 /nfs/dbraw/zinc/33/66/81/1023336681.db2.gz BTNMETNSGZVEGS-AEFFLSMTSA-N 1 3 355.482 2.619 20 30 FFEDHO CC[NH+](CC)CC[C@H](NC(=O)C1CC2(C1)CNC[C@@H]2C#N)c1ccccc1 ZINC001122591475 1023356276 /nfs/dbraw/zinc/35/62/76/1023356276.db2.gz LCEIGNIGKYDBPQ-KBNVZVJVSA-N 1 3 368.525 2.715 20 30 FFEDHO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102373213 1025840038 /nfs/dbraw/zinc/84/00/38/1025840038.db2.gz YVOYZTDISOAAEJ-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102373213 1025840055 /nfs/dbraw/zinc/84/00/55/1025840055.db2.gz YVOYZTDISOAAEJ-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246717097 1026373443 /nfs/dbraw/zinc/37/34/43/1026373443.db2.gz FPPRCYDJWPACDX-TYCQWZJGSA-N 1 3 357.498 2.835 20 30 FFEDHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)N(C)C ZINC001103407679 1027416722 /nfs/dbraw/zinc/41/67/22/1027416722.db2.gz OZJTWXYSASACCV-DUXKGJEZSA-N 1 3 370.541 2.719 20 30 FFEDHO CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)N(C)C ZINC001103407679 1027416730 /nfs/dbraw/zinc/41/67/30/1027416730.db2.gz OZJTWXYSASACCV-DUXKGJEZSA-N 1 3 370.541 2.719 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433728 1027474495 /nfs/dbraw/zinc/47/44/95/1027474495.db2.gz KEACWAKUGHSBGY-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103433728 1027474501 /nfs/dbraw/zinc/47/45/01/1027474501.db2.gz KEACWAKUGHSBGY-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO C[NH+](C)CCCC[C@H](N)C(=O)N(CCC#N)Cc1ccc(Cl)cc1 ZINC001160738037 1027844010 /nfs/dbraw/zinc/84/40/10/1027844010.db2.gz MDDNDHKKEJSKQI-KRWDZBQOSA-N 1 3 350.894 2.641 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1c1cccc(F)c1 ZINC001205462575 1031765936 /nfs/dbraw/zinc/76/59/36/1031765936.db2.gz RARSOCLCYPRSEJ-LEWJYISDSA-N 1 3 371.500 2.609 20 30 FFEDHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226613350 1034756471 /nfs/dbraw/zinc/75/64/71/1034756471.db2.gz GJUNTIPEPKGFCP-YPAWHYETSA-N 1 3 367.537 2.930 20 30 FFEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226613350 1034756480 /nfs/dbraw/zinc/75/64/80/1034756480.db2.gz GJUNTIPEPKGFCP-YPAWHYETSA-N 1 3 367.537 2.930 20 30 FFEDHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226613350 1034756484 /nfs/dbraw/zinc/75/64/84/1034756484.db2.gz GJUNTIPEPKGFCP-YPAWHYETSA-N 1 3 367.537 2.930 20 30 FFEDHO COC(=O)c1ccc(C(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC001246306391 1039308687 /nfs/dbraw/zinc/30/86/87/1039308687.db2.gz UQTYDHWRCHDCSB-UHFFFAOYSA-N 1 3 351.450 2.843 20 30 FFEDHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001264492690 1042696832 /nfs/dbraw/zinc/69/68/32/1042696832.db2.gz ZUDWSQZFWWJHTB-BDTNDASRSA-N 1 3 367.537 2.787 20 30 FFEDHO C=CCCCN1CCc2nc(C(=O)N3CCC([NH+](C)C)CC3)ccc2C1 ZINC001280121288 1044251923 /nfs/dbraw/zinc/25/19/23/1044251923.db2.gz RVZMGCZRWOQFHV-UHFFFAOYSA-N 1 3 356.514 2.572 20 30 FFEDHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC001280250424 1044473740 /nfs/dbraw/zinc/47/37/40/1044473740.db2.gz KTKXMONCWRNIAW-QGZVFWFLSA-N 1 3 360.546 2.771 20 30 FFEDHO C=C(C)CN1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001322611640 1046149824 /nfs/dbraw/zinc/14/98/24/1046149824.db2.gz RIWFAJVPZUPVCF-UHFFFAOYSA-N 1 3 360.521 2.708 20 30 FFEDHO C=C(C)C[NH+]1CCC(NCc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001322611640 1046149833 /nfs/dbraw/zinc/14/98/33/1046149833.db2.gz RIWFAJVPZUPVCF-UHFFFAOYSA-N 1 3 360.521 2.708 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001342156987 1050749436 /nfs/dbraw/zinc/74/94/36/1050749436.db2.gz VQPBIWSLBJRONI-ZSYWTGECSA-N 1 3 353.551 2.809 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001342355258 1050950146 /nfs/dbraw/zinc/95/01/46/1050950146.db2.gz OLNBBXOVTPBYAW-GBESFXJTSA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001342355258 1050950159 /nfs/dbraw/zinc/95/01/59/1050950159.db2.gz OLNBBXOVTPBYAW-GBESFXJTSA-N 1 3 374.577 2.830 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC001338490740 1055563610 /nfs/dbraw/zinc/56/36/10/1055563610.db2.gz AQZXETQZMTZMNK-NRFANRHFSA-N 1 3 352.478 2.657 20 30 FFEDHO C[NH+]=C(NCCCCN1CCN(c2ccccc2)CC1)NCc1ccco1 ZINC000849036743 1055565514 /nfs/dbraw/zinc/56/55/14/1055565514.db2.gz WDVPFSNIRFUWBV-UHFFFAOYSA-N 1 3 369.513 2.547 20 30 FFEDHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)CC1 ZINC000848426499 1059992216 /nfs/dbraw/zinc/99/22/16/1059992216.db2.gz ILLNAUROBQPZQD-LJQANCHMSA-N 1 3 357.502 2.567 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000074132501 507990124 /nfs/dbraw/zinc/99/01/24/507990124.db2.gz FDZWHVNGTUIQOR-HXUWFJFHSA-N 1 3 356.514 2.553 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000074132501 507990128 /nfs/dbraw/zinc/99/01/28/507990128.db2.gz FDZWHVNGTUIQOR-HXUWFJFHSA-N 1 3 356.514 2.553 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080121109 508040937 /nfs/dbraw/zinc/04/09/37/508040937.db2.gz UBVADNDZQONDHG-RXVVDRJESA-N 1 3 370.541 2.989 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080121109 508040940 /nfs/dbraw/zinc/04/09/40/508040940.db2.gz UBVADNDZQONDHG-RXVVDRJESA-N 1 3 370.541 2.989 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000074917919 508070642 /nfs/dbraw/zinc/07/06/42/508070642.db2.gz ZLVMHFJXVWBXHR-FXAWDEMLSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000074917919 508070645 /nfs/dbraw/zinc/07/06/45/508070645.db2.gz ZLVMHFJXVWBXHR-FXAWDEMLSA-N 1 3 371.529 2.677 20 30 FFEDHO CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820866 508102474 /nfs/dbraw/zinc/10/24/74/508102474.db2.gz RCSHBRHJFPNUBD-OAQYLSRUSA-N 1 3 371.529 2.674 20 30 FFEDHO CC(C)N1CCN(CCC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000192733580 509619051 /nfs/dbraw/zinc/61/90/51/509619051.db2.gz YIOZYHSENMJPAR-UHFFFAOYSA-N 1 3 370.541 2.818 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249474171 509688651 /nfs/dbraw/zinc/68/86/51/509688651.db2.gz UZHRNOKGSFQLFN-FXAWDEMLSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249474171 509688658 /nfs/dbraw/zinc/68/86/58/509688658.db2.gz UZHRNOKGSFQLFN-FXAWDEMLSA-N 1 3 372.513 2.613 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C(C)C ZINC000246050856 510264679 /nfs/dbraw/zinc/26/46/79/510264679.db2.gz YBNWAIGLDJQNIY-XUVXKRRUSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C(C)C ZINC000246050856 510264685 /nfs/dbraw/zinc/26/46/85/510264685.db2.gz YBNWAIGLDJQNIY-XUVXKRRUSA-N 1 3 362.562 2.811 20 30 FFEDHO C[C@@H]1CCC[C@](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000279451315 511087546 /nfs/dbraw/zinc/08/75/46/511087546.db2.gz FZQSDOBOJQBBTA-BSIFCXSSSA-N 1 3 352.482 2.867 20 30 FFEDHO C=CCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000289397126 511099828 /nfs/dbraw/zinc/09/98/28/511099828.db2.gz FYGKXTBYXGOYIX-UHFFFAOYSA-N 1 3 361.530 2.718 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272288634 511490982 /nfs/dbraw/zinc/49/09/82/511490982.db2.gz FIFHNLOJTMAQGC-QUCCMNQESA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272288634 511490984 /nfs/dbraw/zinc/49/09/84/511490984.db2.gz FIFHNLOJTMAQGC-QUCCMNQESA-N 1 3 370.541 2.847 20 30 FFEDHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280762202 511593224 /nfs/dbraw/zinc/59/32/24/511593224.db2.gz ISFXQXLGSUXDFF-PXNSSMCTSA-N 1 3 352.482 2.869 20 30 FFEDHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280762202 511593228 /nfs/dbraw/zinc/59/32/28/511593228.db2.gz ISFXQXLGSUXDFF-PXNSSMCTSA-N 1 3 352.482 2.869 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000281506998 511871612 /nfs/dbraw/zinc/87/16/12/511871612.db2.gz ILBULYSADPOHOI-QKNQBKEWSA-N 1 3 362.477 2.716 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000281506998 511871618 /nfs/dbraw/zinc/87/16/18/511871618.db2.gz ILBULYSADPOHOI-QKNQBKEWSA-N 1 3 362.477 2.716 20 30 FFEDHO COc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1C#N ZINC000281630718 511914223 /nfs/dbraw/zinc/91/42/23/511914223.db2.gz IFSXGELMGBBSIV-UHFFFAOYSA-N 1 3 365.477 2.813 20 30 FFEDHO C[NH+]1CCC(C)(C[NH+]=C([O-])N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329518916 512062409 /nfs/dbraw/zinc/06/24/09/512062409.db2.gz PXJLFKXSCUEYLH-OAHLLOKOSA-N 1 3 361.534 2.731 20 30 FFEDHO C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000369590695 512499026 /nfs/dbraw/zinc/49/90/26/512499026.db2.gz GTCDQLCOJTXCEY-IBGZPJMESA-N 1 3 371.500 2.642 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417062952 514148739 /nfs/dbraw/zinc/14/87/39/514148739.db2.gz NAUUDIODXKVAIQ-UXHICEINSA-N 1 3 362.562 2.716 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000494108160 515737219 /nfs/dbraw/zinc/73/72/19/515737219.db2.gz VYIFEXQRVBZELP-YLJYHZDGSA-N 1 3 358.530 2.936 20 30 FFEDHO C=C(CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000512680397 516320815 /nfs/dbraw/zinc/32/08/15/516320815.db2.gz AUHVVTGUDXTLMO-FQEVSTJZSA-N 1 3 358.530 2.757 20 30 FFEDHO C=C(CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000512680397 516320817 /nfs/dbraw/zinc/32/08/17/516320817.db2.gz AUHVVTGUDXTLMO-FQEVSTJZSA-N 1 3 358.530 2.757 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000574317428 519096886 /nfs/dbraw/zinc/09/68/86/519096886.db2.gz VOPDPCHDMVUUTI-YSFYHYPLSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000574317428 519096891 /nfs/dbraw/zinc/09/68/91/519096891.db2.gz VOPDPCHDMVUUTI-YSFYHYPLSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317428 519096895 /nfs/dbraw/zinc/09/68/95/519096895.db2.gz VOPDPCHDMVUUTI-YSFYHYPLSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317428 519096900 /nfs/dbraw/zinc/09/69/00/519096900.db2.gz VOPDPCHDMVUUTI-YSFYHYPLSA-N 1 3 360.542 2.772 20 30 FFEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCN(c3ccncc3)CC1)CC2 ZINC000574946679 519416698 /nfs/dbraw/zinc/41/66/98/519416698.db2.gz SWKPRTKLJGIMAY-JOCHJYFZSA-N 1 3 361.493 2.742 20 30 FFEDHO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000600736965 520435833 /nfs/dbraw/zinc/43/58/33/520435833.db2.gz TZDDNHIFVQYSQA-XSDIEEQYSA-N 1 3 353.510 2.931 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C(C)C ZINC000601255765 520710111 /nfs/dbraw/zinc/71/01/11/520710111.db2.gz QUYNLRFWZXAPEA-RBUKOAKNSA-N 1 3 350.551 2.857 20 30 FFEDHO C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000614178412 520838596 /nfs/dbraw/zinc/83/85/96/520838596.db2.gz AOCIEMOXONBSAT-RXVVDRJESA-N 1 3 354.542 2.946 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)cc1Cl ZINC000303893911 729735526 /nfs/dbraw/zinc/73/55/26/729735526.db2.gz SFSHMJMMODUWRP-CYBMUJFWSA-N 1 3 373.726 2.991 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000876716431 732271739 /nfs/dbraw/zinc/27/17/39/732271739.db2.gz XOJOHRVHCVCLLV-SJORKVTESA-N 1 3 353.894 2.664 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000876752038 732276892 /nfs/dbraw/zinc/27/68/92/732276892.db2.gz FEFYZPCFRBREBA-INIZCTEOSA-N 1 3 368.884 2.765 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000876780783 732280713 /nfs/dbraw/zinc/28/07/13/732280713.db2.gz BJVLWSQYNATLBC-GOSISDBHSA-N 1 3 362.905 2.627 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCC[N@H+](C)C1 ZINC000741249209 735127778 /nfs/dbraw/zinc/12/77/78/735127778.db2.gz FCZBWGHZKXRDAL-GJZGRUSLSA-N 1 3 356.495 2.746 20 30 FFEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000741249209 735127782 /nfs/dbraw/zinc/12/77/82/735127782.db2.gz FCZBWGHZKXRDAL-GJZGRUSLSA-N 1 3 356.495 2.746 20 30 FFEDHO [NH2+]=C(NC[C@H]1COc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000262310601 971782295 /nfs/dbraw/zinc/78/22/95/971782295.db2.gz SJHJLACZKFTKFK-SFHVURJKSA-N 1 3 364.493 2.732 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCc3ccccc3)[C@@H]2CC)CC1 ZINC001087839194 970524138 /nfs/dbraw/zinc/52/41/38/970524138.db2.gz OZJOWAIYUWYOAC-FCHUYYIVSA-N 1 3 367.537 2.543 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3ccccc3)[C@@H]2CC)CC1 ZINC001087839194 970524143 /nfs/dbraw/zinc/52/41/43/970524143.db2.gz OZJOWAIYUWYOAC-FCHUYYIVSA-N 1 3 367.537 2.543 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1ccccc1 ZINC001211698238 976379199 /nfs/dbraw/zinc/37/91/99/976379199.db2.gz DVASRLLGNBYJHX-FCHUYYIVSA-N 1 3 367.537 2.714 20 30 FFEDHO C#CCN1CCC(C(=O)N(C(C)C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000843696361 977456011 /nfs/dbraw/zinc/45/60/11/977456011.db2.gz TYAAAWSXUAYGPI-QFIPXVFZSA-N 1 3 367.537 2.843 20 30 FFEDHO C#CCN1CCC(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000843696361 977456014 /nfs/dbraw/zinc/45/60/14/977456014.db2.gz TYAAAWSXUAYGPI-QFIPXVFZSA-N 1 3 367.537 2.843 20 30 FFEDHO CO[C@@H]1[C@H](C)[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000263181696 980542222 /nfs/dbraw/zinc/54/22/22/980542222.db2.gz VMZSKTDXMVJXLP-ATZDWAIDSA-N 1 3 358.530 2.615 20 30 FFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997766643 985731148 /nfs/dbraw/zinc/73/11/48/985731148.db2.gz DIIZELDYMZGUDT-BWAGFHJFSA-N 1 3 367.537 2.572 20 30 FFEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997766643 985731153 /nfs/dbraw/zinc/73/11/53/985731153.db2.gz DIIZELDYMZGUDT-BWAGFHJFSA-N 1 3 367.537 2.572 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212300247 991625064 /nfs/dbraw/zinc/62/50/64/991625064.db2.gz YXJVXNZAWHLLAU-WJFTUGDTSA-N 1 3 353.551 2.503 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212300247 991625069 /nfs/dbraw/zinc/62/50/69/991625069.db2.gz YXJVXNZAWHLLAU-WJFTUGDTSA-N 1 3 353.551 2.503 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1c1ccc(F)cc1 ZINC001079155525 991857014 /nfs/dbraw/zinc/85/70/14/991857014.db2.gz DOILQWBQFCOEFY-VQTJNVASSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079314699 991987626 /nfs/dbraw/zinc/98/76/26/991987626.db2.gz GPSCJPCSJUUMBN-TYPHKJRUSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079314699 991987632 /nfs/dbraw/zinc/98/76/32/991987632.db2.gz GPSCJPCSJUUMBN-TYPHKJRUSA-N 1 3 371.500 2.606 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079310821 992011100 /nfs/dbraw/zinc/01/11/00/992011100.db2.gz LKDNNKFXDQEQAK-XKGZKEIXSA-N 1 3 359.489 2.770 20 30 FFEDHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1CNCc1ccccc1C#N ZINC001107027824 993213248 /nfs/dbraw/zinc/21/32/48/993213248.db2.gz CFQRXEJGHHILOB-WIYYLYMNSA-N 1 3 368.525 2.618 20 30 FFEDHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082783117 995491284 /nfs/dbraw/zinc/49/12/84/995491284.db2.gz BTJWRXQZQGCRAW-UIFIKXQLSA-N 1 3 368.525 2.758 20 30 FFEDHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)N1CCCC1 ZINC001085295343 999312205 /nfs/dbraw/zinc/31/22/05/999312205.db2.gz BMKUHGSSFKMZMK-WOJBJXKFSA-N 1 3 368.525 2.950 20 30 FFEDHO C=CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OC ZINC001201417374 1005211726 /nfs/dbraw/zinc/21/17/26/1005211726.db2.gz WTSQQXIGZUZYSC-MOPGFXCFSA-N 1 3 360.498 2.727 20 30 FFEDHO COc1cc(N(C(=O)C(C#N)Cc2cccs2)C2CC[NH2+]CC2)ccn1 ZINC001177912854 1008785129 /nfs/dbraw/zinc/78/51/29/1008785129.db2.gz VAIGSLAJLJENOP-AWEZNQCLSA-N 1 3 370.478 2.619 20 30 FFEDHO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000104162772 1009930584 /nfs/dbraw/zinc/93/05/84/1009930584.db2.gz ATOBVOXONMRMCR-UHFFFAOYSA-N 1 3 365.525 2.978 20 30 FFEDHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)CN1CCN(CC)CC1 ZINC000303872345 1012475514 /nfs/dbraw/zinc/47/55/14/1012475514.db2.gz GIENBBHMDLWLBA-QGZVFWFLSA-N 1 3 359.562 2.812 20 30 FFEDHO CN1CCN(CCCC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000303892203 1012503258 /nfs/dbraw/zinc/50/32/58/1012503258.db2.gz NMOAHJWSGNSDHK-UHFFFAOYSA-N 1 3 357.546 2.968 20 30 FFEDHO CN(CCC[NH+]1CCCC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431797 1012595990 /nfs/dbraw/zinc/59/59/90/1012595990.db2.gz MVPGZBXSQUMUHN-UHFFFAOYSA-N 1 3 354.498 2.581 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001122514165 1023314294 /nfs/dbraw/zinc/31/42/94/1023314294.db2.gz OLNBBXOVTPBYAW-OTWHNJEPSA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001122514165 1023314301 /nfs/dbraw/zinc/31/43/01/1023314301.db2.gz OLNBBXOVTPBYAW-OTWHNJEPSA-N 1 3 374.577 2.830 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC001120496806 1023340962 /nfs/dbraw/zinc/34/09/62/1023340962.db2.gz KWZOSBGLJCMLGK-MRXNPFEDSA-N 1 3 370.415 2.522 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001102215498 1025596694 /nfs/dbraw/zinc/59/66/94/1025596694.db2.gz QYYMWIAXTHGUJG-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C[N@@H+]2C1 ZINC001141817173 1027008769 /nfs/dbraw/zinc/00/87/69/1027008769.db2.gz KCNSWIKWNOIIRW-DUXKGJEZSA-N 1 3 368.525 2.569 20 30 FFEDHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)C[N@H+]2C1 ZINC001141817173 1027008774 /nfs/dbraw/zinc/00/87/74/1027008774.db2.gz KCNSWIKWNOIIRW-DUXKGJEZSA-N 1 3 368.525 2.569 20 30 FFEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103437170 1027480367 /nfs/dbraw/zinc/48/03/67/1027480367.db2.gz MYLMPEWSSGADPF-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103437170 1027480372 /nfs/dbraw/zinc/48/03/72/1027480372.db2.gz MYLMPEWSSGADPF-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO CCN(CC)CCNC(=[NH2+])Nc1ccc([C@@H](C#N)c2ccc(C)cc2)nn1 ZINC001163122674 1028806462 /nfs/dbraw/zinc/80/64/62/1028806462.db2.gz PLMCGFNVAKYPMX-KRWDZBQOSA-N 1 3 365.485 2.719 20 30 FFEDHO COc1cc(CCC#N)c(NCC2(N(C)C)CC[NH+](C)CC2)cc1OC ZINC001164213584 1029206345 /nfs/dbraw/zinc/20/63/45/1029206345.db2.gz XGSGGEAUFGBMSY-UHFFFAOYSA-N 1 3 360.502 2.598 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCCC(C)C)C3)CC1 ZINC001112004213 1029852210 /nfs/dbraw/zinc/85/22/10/1029852210.db2.gz PQENBXGMWQXVFF-UNMCSNQZSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCCC(C)C)C3)CC1 ZINC001112004213 1029852215 /nfs/dbraw/zinc/85/22/15/1029852215.db2.gz PQENBXGMWQXVFF-UNMCSNQZSA-N 1 3 359.558 2.739 20 30 FFEDHO CN(C)CC#CCNC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC001219418902 1033638718 /nfs/dbraw/zinc/63/87/18/1033638718.db2.gz RNYAFQDASXWGLY-UHFFFAOYSA-N 1 3 371.510 2.577 20 30 FFEDHO CN(C)CC#CCNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001219418902 1033638728 /nfs/dbraw/zinc/63/87/28/1033638728.db2.gz RNYAFQDASXWGLY-UHFFFAOYSA-N 1 3 371.510 2.577 20 30 FFEDHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001226783304 1034838803 /nfs/dbraw/zinc/83/88/03/1034838803.db2.gz WTMSLVVVKTYMKZ-RTBURBONSA-N 1 3 354.498 2.560 20 30 FFEDHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)CC[N@@H+]1C ZINC001228207658 1035993185 /nfs/dbraw/zinc/99/31/85/1035993185.db2.gz XOXVVKDGXRGUKG-VXSCBNMQSA-N 1 3 367.537 2.785 20 30 FFEDHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)CC[N@H+]1C ZINC001228207658 1035993203 /nfs/dbraw/zinc/99/32/03/1035993203.db2.gz XOXVVKDGXRGUKG-VXSCBNMQSA-N 1 3 367.537 2.785 20 30 FFEDHO C=CCCCCCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209424815 1038855106 /nfs/dbraw/zinc/85/51/06/1038855106.db2.gz VFQWBIGKTCDQHO-UHFFFAOYSA-N 1 3 361.534 2.843 20 30 FFEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001246308404 1039308367 /nfs/dbraw/zinc/30/83/67/1039308367.db2.gz REUDWCILTCMQDZ-GIVPXCGWSA-N 1 3 373.541 2.856 20 30 FFEDHO C[NH2+]CC[C@H](C)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246332236 1039314818 /nfs/dbraw/zinc/31/48/18/1039314818.db2.gz GNYMRKNSGGGPNJ-SFHVURJKSA-N 1 3 361.489 2.911 20 30 FFEDHO C#CCOc1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC001322806820 1046232637 /nfs/dbraw/zinc/23/26/37/1046232637.db2.gz NMMGDZYQVOSBGF-UHFFFAOYSA-N 1 3 363.505 2.736 20 30 FFEDHO C=CCCC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001357403772 1055893494 /nfs/dbraw/zinc/89/34/94/1055893494.db2.gz GCUJKJPRKTXNSL-IEBWSBKVSA-N 1 3 359.514 2.686 20 30 FFEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)C(C)C ZINC001467660305 1063809853 /nfs/dbraw/zinc/80/98/53/1063809853.db2.gz MVPFEOWUOPGVOS-QUCCMNQESA-N 1 3 362.562 2.811 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)CC1 ZINC000050027115 507652819 /nfs/dbraw/zinc/65/28/19/507652819.db2.gz NPCWORPDKGKWQR-OAQYLSRUSA-N 1 3 371.525 2.540 20 30 FFEDHO CCN1CCN(CCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000083031568 508234462 /nfs/dbraw/zinc/23/44/62/508234462.db2.gz CTSXPZSISSEPDC-UHFFFAOYSA-N 1 3 367.497 2.843 20 30 FFEDHO COCC[NH+]1CCC(NCc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000113328745 508260607 /nfs/dbraw/zinc/26/06/07/508260607.db2.gz FIWDIACWQQOHDQ-UHFFFAOYSA-N 1 3 367.497 2.664 20 30 FFEDHO CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000114199285 508298709 /nfs/dbraw/zinc/29/87/09/508298709.db2.gz FLOHFYFOEYGCEM-CQSZACIVSA-N 1 3 360.527 2.711 20 30 FFEDHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000114199285 508298712 /nfs/dbraw/zinc/29/87/12/508298712.db2.gz FLOHFYFOEYGCEM-CQSZACIVSA-N 1 3 360.527 2.711 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)CC1 ZINC000119153475 508737353 /nfs/dbraw/zinc/73/73/53/508737353.db2.gz MBLRCHSWPULGFC-UHFFFAOYSA-N 1 3 369.509 2.753 20 30 FFEDHO C=CCC[C@@H](O)CN1CCCC2(CCC[N@H+](C[C@H](O)CCC=C)C2)C1 ZINC000377728497 512422769 /nfs/dbraw/zinc/42/27/69/512422769.db2.gz UQDOOALNXMEQOA-OSBQEZSISA-N 1 3 350.547 2.819 20 30 FFEDHO C=CCC[C@@H](O)CN1CCCC2(CCC[N@@H+](C[C@H](O)CCC=C)C2)C1 ZINC000377728497 512422773 /nfs/dbraw/zinc/42/27/73/512422773.db2.gz UQDOOALNXMEQOA-OSBQEZSISA-N 1 3 350.547 2.819 20 30 FFEDHO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000264066363 509313225 /nfs/dbraw/zinc/31/32/25/509313225.db2.gz BJCSNBVOMPZLOE-YJBOKZPZSA-N 1 3 359.518 2.560 20 30 FFEDHO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000185886206 509408009 /nfs/dbraw/zinc/40/80/09/509408009.db2.gz FSVQESUOXJMTRK-AZUAARDMSA-N 1 3 354.498 2.684 20 30 FFEDHO C[NH+]1CCC(N2CCC(Nc3nc(C(F)(F)F)ccc3C#N)CC2)CC1 ZINC000265191672 509911470 /nfs/dbraw/zinc/91/14/70/509911470.db2.gz LAJSICGNSPEOMP-UHFFFAOYSA-N 1 3 367.419 2.943 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287725520 511055949 /nfs/dbraw/zinc/05/59/49/511055949.db2.gz NUVQWZCRNXSEOH-PXNSSMCTSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287725520 511055953 /nfs/dbraw/zinc/05/59/53/511055953.db2.gz NUVQWZCRNXSEOH-PXNSSMCTSA-N 1 3 356.514 2.599 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000280318526 511420000 /nfs/dbraw/zinc/42/00/00/511420000.db2.gz IKPJDKOYKICFLN-UXHICEINSA-N 1 3 350.466 2.575 20 30 FFEDHO Cc1ccc(NC(=[NH2+])NCc2ccccc2CN2CC[C@H](O)C2)cc1C ZINC000272989893 511514159 /nfs/dbraw/zinc/51/41/59/511514159.db2.gz SMXKGONMJKXZJJ-FQEVSTJZSA-N 1 3 352.482 2.797 20 30 FFEDHO C[NH+](C)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000280617946 511534696 /nfs/dbraw/zinc/53/46/96/511534696.db2.gz HGWNUTPCVSPCQF-WOJBJXKFSA-N 1 3 352.482 2.867 20 30 FFEDHO CC1CC[NH+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280836850 511622267 /nfs/dbraw/zinc/62/22/67/511622267.db2.gz OUGLRHNTGVQUNR-FQEVSTJZSA-N 1 3 352.482 2.869 20 30 FFEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280925226 511655462 /nfs/dbraw/zinc/65/54/62/511655462.db2.gz VKXXJLLNEDVLCW-HLIPFELVSA-N 1 3 352.482 2.725 20 30 FFEDHO Cc1nc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000328610547 511892027 /nfs/dbraw/zinc/89/20/27/511892027.db2.gz NTOIPGIZYXHUEZ-UHFFFAOYSA-N 1 3 351.520 2.644 20 30 FFEDHO CN1CCC(CNC(=O)c2ccc3cncn3c2)([NH+]2CCCCC2)CC1 ZINC000328812412 511934726 /nfs/dbraw/zinc/93/47/26/511934726.db2.gz MZVDNGCNEFOMQX-UHFFFAOYSA-N 1 3 355.486 2.589 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H](CC#N)c3ccccc3)CC2)CC1 ZINC000375693441 512458362 /nfs/dbraw/zinc/45/83/62/512458362.db2.gz PVYSXCBVOJLDPL-IBGZPJMESA-N 1 3 368.525 2.749 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H](CC#N)c3ccccc3)CC2)CC1 ZINC000375693443 512458728 /nfs/dbraw/zinc/45/87/28/512458728.db2.gz PVYSXCBVOJLDPL-LJQANCHMSA-N 1 3 368.525 2.749 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422245472 513656686 /nfs/dbraw/zinc/65/66/86/513656686.db2.gz PDPDARGNCXCLNN-UHFFFAOYSA-N 1 3 371.529 2.504 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417062954 514149161 /nfs/dbraw/zinc/14/91/61/514149161.db2.gz NAUUDIODXKVAIQ-WOJBJXKFSA-N 1 3 362.562 2.716 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C(C)C ZINC000417070750 514152206 /nfs/dbraw/zinc/15/22/06/514152206.db2.gz VSLKBASVJZTCOZ-HSALFYBXSA-N 1 3 362.562 2.716 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462036908 514843244 /nfs/dbraw/zinc/84/32/44/514843244.db2.gz HUVUYDHMNZZKFY-PXNSSMCTSA-N 1 3 356.514 2.536 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462036908 514843251 /nfs/dbraw/zinc/84/32/51/514843251.db2.gz HUVUYDHMNZZKFY-PXNSSMCTSA-N 1 3 356.514 2.536 20 30 FFEDHO C=CCOc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000505789402 515672680 /nfs/dbraw/zinc/67/26/80/515672680.db2.gz KZBUOSCCOLMYRS-LJQANCHMSA-N 1 3 359.514 2.740 20 30 FFEDHO C=CCOc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000505789402 515672687 /nfs/dbraw/zinc/67/26/87/515672687.db2.gz KZBUOSCCOLMYRS-LJQANCHMSA-N 1 3 359.514 2.740 20 30 FFEDHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528353733 516371852 /nfs/dbraw/zinc/37/18/52/516371852.db2.gz JFVOAWOHFJTYDW-FQEVSTJZSA-N 1 3 359.514 2.742 20 30 FFEDHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528353733 516371858 /nfs/dbraw/zinc/37/18/58/516371858.db2.gz JFVOAWOHFJTYDW-FQEVSTJZSA-N 1 3 359.514 2.742 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000523789792 516579187 /nfs/dbraw/zinc/57/91/87/516579187.db2.gz DYZWMHFBMDNHLY-RBUKOAKNSA-N 1 3 350.551 2.668 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000523789792 516579192 /nfs/dbraw/zinc/57/91/92/516579192.db2.gz DYZWMHFBMDNHLY-RBUKOAKNSA-N 1 3 350.551 2.668 20 30 FFEDHO CC[N@H+](CCC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1)CC(C)C ZINC000552993874 517469191 /nfs/dbraw/zinc/46/91/91/517469191.db2.gz WUNCDYKHMBUATB-SFHVURJKSA-N 1 3 350.551 2.827 20 30 FFEDHO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1)CC(C)C ZINC000552993874 517469196 /nfs/dbraw/zinc/46/91/96/517469196.db2.gz WUNCDYKHMBUATB-SFHVURJKSA-N 1 3 350.551 2.827 20 30 FFEDHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608621 518119490 /nfs/dbraw/zinc/11/94/90/518119490.db2.gz VGJKJJQQGCKUMJ-QGZVFWFLSA-N 1 3 367.472 2.955 20 30 FFEDHO CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302695 521137826 /nfs/dbraw/zinc/13/78/26/521137826.db2.gz JCZOHTIORUUIGO-LEWJYISDSA-N 1 3 371.525 2.512 20 30 FFEDHO CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302695 521137832 /nfs/dbraw/zinc/13/78/32/521137832.db2.gz JCZOHTIORUUIGO-LEWJYISDSA-N 1 3 371.525 2.512 20 30 FFEDHO CC[N@H+](C)C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744423259 735353925 /nfs/dbraw/zinc/35/39/25/735353925.db2.gz AUWLHMQVGTVUCQ-LSDHHAIUSA-N 1 3 356.495 2.746 20 30 FFEDHO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744423259 735353927 /nfs/dbraw/zinc/35/39/27/735353927.db2.gz AUWLHMQVGTVUCQ-LSDHHAIUSA-N 1 3 356.495 2.746 20 30 FFEDHO CCN(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccsc1 ZINC000303888906 729735599 /nfs/dbraw/zinc/73/55/99/729735599.db2.gz LQFQDFWCMQQVGD-IAGOWNOFSA-N 1 3 351.564 2.520 20 30 FFEDHO CC(C)[NH2+]C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000731032147 734663425 /nfs/dbraw/zinc/66/34/25/734663425.db2.gz UMQNNIOCGUFLEZ-HNNXBMFYSA-N 1 3 356.495 2.935 20 30 FFEDHO C[N@@H+]1CC[C@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000795340253 740005995 /nfs/dbraw/zinc/00/59/95/740005995.db2.gz ZGRYUUWKTRFPOX-LIRRHRJNSA-N 1 3 354.479 2.500 20 30 FFEDHO C[N@H+]1CC[C@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000795340253 740005999 /nfs/dbraw/zinc/00/59/99/740005999.db2.gz ZGRYUUWKTRFPOX-LIRRHRJNSA-N 1 3 354.479 2.500 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000180991836 970878039 /nfs/dbraw/zinc/87/80/39/970878039.db2.gz WXMVQDSDOIWTQD-UTKZUKDTSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180991836 970878048 /nfs/dbraw/zinc/87/80/48/970878048.db2.gz WXMVQDSDOIWTQD-UTKZUKDTSA-N 1 3 365.477 2.834 20 30 FFEDHO CCCCCCC/C=C/CN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275840506 1013070244 /nfs/dbraw/zinc/07/02/44/1013070244.db2.gz MMYCOPGDLICNPE-ZJVMWOEPSA-N 1 3 365.562 2.768 20 30 FFEDHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001104287963 961830625 /nfs/dbraw/zinc/83/06/25/961830625.db2.gz NZYYIDCHBDVBAB-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001087474932 965567075 /nfs/dbraw/zinc/56/70/75/965567075.db2.gz GXWWCZXHLKOKIX-ACRUOGEOSA-N 1 3 371.525 2.640 20 30 FFEDHO C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001087474932 965567085 /nfs/dbraw/zinc/56/70/85/965567085.db2.gz GXWWCZXHLKOKIX-ACRUOGEOSA-N 1 3 371.525 2.640 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1ccc(C#N)cc1 ZINC001087578933 968234954 /nfs/dbraw/zinc/23/49/54/968234954.db2.gz XOHGYZSSPSAXCZ-UWHLTILDSA-N 1 3 368.525 2.758 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1ccc(C#N)cc1 ZINC001087578933 968234969 /nfs/dbraw/zinc/23/49/69/968234969.db2.gz XOHGYZSSPSAXCZ-UWHLTILDSA-N 1 3 368.525 2.758 20 30 FFEDHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001104676510 970084591 /nfs/dbraw/zinc/08/45/91/970084591.db2.gz NJCNKFPVFHIOHD-LVCYWYKZSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC#Cc1ccccc1 ZINC001104676761 970086286 /nfs/dbraw/zinc/08/62/86/970086286.db2.gz WYMWHZMJOLYHLE-RZUBCFFCSA-N 1 3 367.537 2.597 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C)[C@@H]2CC)CC1 ZINC001087840231 970522022 /nfs/dbraw/zinc/52/20/22/970522022.db2.gz NATDPAHNHOJUQQ-FCHUYYIVSA-N 1 3 367.537 2.809 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C)[C@@H]2CC)CC1 ZINC001087840231 970522030 /nfs/dbraw/zinc/52/20/30/970522030.db2.gz NATDPAHNHOJUQQ-FCHUYYIVSA-N 1 3 367.537 2.809 20 30 FFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106852 972825596 /nfs/dbraw/zinc/82/55/96/972825596.db2.gz UQOXDJKDSLOWLX-LQWHRVPQSA-N 1 3 365.537 2.945 20 30 FFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106852 972825606 /nfs/dbraw/zinc/82/56/06/972825606.db2.gz UQOXDJKDSLOWLX-LQWHRVPQSA-N 1 3 365.537 2.945 20 30 FFEDHO C[NH+]=C(NCc1ccn(-c2ccccc2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262440423 973235705 /nfs/dbraw/zinc/23/57/05/973235705.db2.gz HLXAQFFQCDSKHV-HXUWFJFHSA-N 1 3 366.513 2.508 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675715 974980174 /nfs/dbraw/zinc/98/01/74/974980174.db2.gz XPOLISOITCLBKF-PWRODBHTSA-N 1 3 355.526 2.714 20 30 FFEDHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001087428562 975696796 /nfs/dbraw/zinc/69/67/96/975696796.db2.gz MAGCREWJUJQYEG-CIAFKFPVSA-N 1 3 367.537 2.714 20 30 FFEDHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001087428562 975696800 /nfs/dbraw/zinc/69/68/00/975696800.db2.gz MAGCREWJUJQYEG-CIAFKFPVSA-N 1 3 367.537 2.714 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1ccccc1F ZINC001079321742 991997561 /nfs/dbraw/zinc/99/75/61/991997561.db2.gz AGOSRKDAICQOQW-SXLOBPIMSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086591764 1002534242 /nfs/dbraw/zinc/53/42/42/1002534242.db2.gz DZSYTFOQOZIVLN-BHIFYINESA-N 1 3 367.537 2.572 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086591764 1002534254 /nfs/dbraw/zinc/53/42/54/1002534254.db2.gz DZSYTFOQOZIVLN-BHIFYINESA-N 1 3 367.537 2.572 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086605879 1002926655 /nfs/dbraw/zinc/92/66/55/1002926655.db2.gz ZZLGZWZDTQCNIG-FDFHNCONSA-N 1 3 367.537 2.716 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086605879 1002926660 /nfs/dbraw/zinc/92/66/60/1002926660.db2.gz ZZLGZWZDTQCNIG-FDFHNCONSA-N 1 3 367.537 2.716 20 30 FFEDHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000859212745 1008488345 /nfs/dbraw/zinc/48/83/45/1008488345.db2.gz OBZQEQOVHCLGJP-OAQYLSRUSA-N 1 3 367.493 2.686 20 30 FFEDHO COc1ccc(CNC(=[NH2+])NCCCN(C)Cc2ccccc2)cc1OC ZINC000303768552 1012425945 /nfs/dbraw/zinc/42/59/45/1012425945.db2.gz AJTPRDHWPDXTQO-UHFFFAOYSA-N 1 3 370.497 2.630 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@H]1CCCc2ccccc21 ZINC000304761331 1012870396 /nfs/dbraw/zinc/87/03/96/1012870396.db2.gz UHGJBSKKMPRMLX-QUCCMNQESA-N 1 3 358.530 2.859 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCCCCC)C[C@H]32)CC1 ZINC001222046428 1032697762 /nfs/dbraw/zinc/69/77/62/1032697762.db2.gz CKWUZNCWDKSMIV-NHCUHLMSSA-N 1 3 359.558 2.835 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCCCCC)C[C@H]32)CC1 ZINC001222046428 1032697773 /nfs/dbraw/zinc/69/77/73/1032697773.db2.gz CKWUZNCWDKSMIV-NHCUHLMSSA-N 1 3 359.558 2.835 20 30 FFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893691 1018317161 /nfs/dbraw/zinc/31/71/61/1018317161.db2.gz JBAAKZXFGOOTES-ADAARDCZSA-N 1 3 353.510 2.629 20 30 FFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893691 1018317173 /nfs/dbraw/zinc/31/71/73/1018317173.db2.gz JBAAKZXFGOOTES-ADAARDCZSA-N 1 3 353.510 2.629 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099252389 1022166861 /nfs/dbraw/zinc/16/68/61/1022166861.db2.gz LTQDPZGUCMMRFT-HUUCEWRRSA-N 1 3 361.452 2.806 20 30 FFEDHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1)N(C)C ZINC001099496661 1022631092 /nfs/dbraw/zinc/63/10/92/1022631092.db2.gz KCOGTJJUEAHZKM-ONTIZHBOSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC001120496608 1023341223 /nfs/dbraw/zinc/34/12/23/1023341223.db2.gz FPXAZFPBGZMAME-INIZCTEOSA-N 1 3 371.308 2.810 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001122631533 1023380063 /nfs/dbraw/zinc/38/00/63/1023380063.db2.gz UQAIOFFTZCLNHJ-KSZLIROESA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001122631533 1023380066 /nfs/dbraw/zinc/38/00/66/1023380066.db2.gz UQAIOFFTZCLNHJ-KSZLIROESA-N 1 3 360.550 2.582 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001102596647 1026391649 /nfs/dbraw/zinc/39/16/49/1026391649.db2.gz QZUKCEMTTAUBEG-QKNQBKEWSA-N 1 3 361.574 2.698 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001102596647 1026391660 /nfs/dbraw/zinc/39/16/60/1026391660.db2.gz QZUKCEMTTAUBEG-QKNQBKEWSA-N 1 3 361.574 2.698 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083784 1026944722 /nfs/dbraw/zinc/94/47/22/1026944722.db2.gz JAQPPZUQZZBQMD-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083784 1026944730 /nfs/dbraw/zinc/94/47/30/1026944730.db2.gz JAQPPZUQZZBQMD-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089899 1026951195 /nfs/dbraw/zinc/95/11/95/1026951195.db2.gz FPIKEBNMLGEBOR-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103089899 1026951201 /nfs/dbraw/zinc/95/12/01/1026951201.db2.gz FPIKEBNMLGEBOR-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001103359014 1027303525 /nfs/dbraw/zinc/30/35/25/1027303525.db2.gz CWXDYIPFPFXADB-NXHRZFHOSA-N 1 3 355.954 2.935 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359014 1027303527 /nfs/dbraw/zinc/30/35/27/1027303527.db2.gz CWXDYIPFPFXADB-NXHRZFHOSA-N 1 3 355.954 2.935 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001103751921 1028138371 /nfs/dbraw/zinc/13/83/71/1028138371.db2.gz ZFKGFGINWUFMAA-UYAOXDASSA-N 1 3 361.574 2.842 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001103751921 1028138378 /nfs/dbraw/zinc/13/83/78/1028138378.db2.gz ZFKGFGINWUFMAA-UYAOXDASSA-N 1 3 361.574 2.842 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C(F)(F)F ZINC001112213460 1030256087 /nfs/dbraw/zinc/25/60/87/1030256087.db2.gz LMNYRPDGMVKSBW-OAGGEKHMSA-N 1 3 361.452 2.806 20 30 FFEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001112378835 1030702667 /nfs/dbraw/zinc/70/26/67/1030702667.db2.gz FXJPZQPHBIROSI-JZXOWHBKSA-N 1 3 359.917 2.637 20 30 FFEDHO C=CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001232147409 1038197822 /nfs/dbraw/zinc/19/78/22/1038197822.db2.gz IEDONITWEOOEGH-NRFANRHFSA-N 1 3 359.489 2.888 20 30 FFEDHO C=CCN1CC[C@]2(CCC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001232147409 1038197831 /nfs/dbraw/zinc/19/78/31/1038197831.db2.gz IEDONITWEOOEGH-NRFANRHFSA-N 1 3 359.489 2.888 20 30 FFEDHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001215381363 1041765877 /nfs/dbraw/zinc/76/58/77/1041765877.db2.gz UZKSZPLBZWTVLM-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)C1 ZINC001215381363 1041765882 /nfs/dbraw/zinc/76/58/82/1041765882.db2.gz UZKSZPLBZWTVLM-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cc(C#N)ccc12 ZINC001279118130 1042906494 /nfs/dbraw/zinc/90/64/94/1042906494.db2.gz JPUHUEZDUKKJJJ-YQQQUEKLSA-N 1 3 351.498 2.686 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001316667422 1050654600 /nfs/dbraw/zinc/65/46/00/1050654600.db2.gz VEEQVDJNAFSNBY-SVFBPWRDSA-N 1 3 361.574 2.888 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001342246742 1050837286 /nfs/dbraw/zinc/83/72/86/1050837286.db2.gz DSAAVEXJOZWDTN-KRWDZBQOSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001342246742 1050837300 /nfs/dbraw/zinc/83/73/00/1050837300.db2.gz DSAAVEXJOZWDTN-KRWDZBQOSA-N 1 3 360.550 2.584 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001339067142 1056063519 /nfs/dbraw/zinc/06/35/19/1056063519.db2.gz CELGLPPTEQQBMJ-RBUKOAKNSA-N 1 3 372.561 2.586 20 30 FFEDHO CN(C)CCOc1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083033761 508234456 /nfs/dbraw/zinc/23/44/56/508234456.db2.gz XFRABQIBZXZLIH-SFHVURJKSA-N 1 3 368.481 2.555 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000106257271 508398620 /nfs/dbraw/zinc/39/86/20/508398620.db2.gz GJFZZXSTJZPHIN-UHFFFAOYSA-N 1 3 350.551 2.981 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000106257271 508398621 /nfs/dbraw/zinc/39/86/21/508398621.db2.gz GJFZZXSTJZPHIN-UHFFFAOYSA-N 1 3 350.551 2.981 20 30 FFEDHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000123463191 508690695 /nfs/dbraw/zinc/69/06/95/508690695.db2.gz INPVPFWHNDHYQX-HXUWFJFHSA-N 1 3 359.514 2.546 20 30 FFEDHO C#CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000136587958 508702253 /nfs/dbraw/zinc/70/22/53/508702253.db2.gz WEDHXJKJMJQEGN-FCHUYYIVSA-N 1 3 356.510 2.946 20 30 FFEDHO CCN1CCN(CCCCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000267358064 509465447 /nfs/dbraw/zinc/46/54/47/509465447.db2.gz WAACDCKYKUVXOC-UHFFFAOYSA-N 1 3 357.546 2.710 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176630181 509618714 /nfs/dbraw/zinc/61/87/14/509618714.db2.gz COWQNNYBFQRDQQ-UXHICEINSA-N 1 3 371.529 2.504 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)C(C)C ZINC000264751628 509683035 /nfs/dbraw/zinc/68/30/35/509683035.db2.gz OBURMUZZPOZBTC-LJQANCHMSA-N 1 3 350.551 2.857 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180214825 509817483 /nfs/dbraw/zinc/81/74/83/509817483.db2.gz JDOWTBORJWDLGX-FQEVSTJZSA-N 1 3 368.525 2.730 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180214825 509817491 /nfs/dbraw/zinc/81/74/91/509817491.db2.gz JDOWTBORJWDLGX-FQEVSTJZSA-N 1 3 368.525 2.730 20 30 FFEDHO [NH2+]=C(NCC1(N2CCCC2)CCOCC1)Nc1cccc2c1CCCC2 ZINC000262507288 510302940 /nfs/dbraw/zinc/30/29/40/510302940.db2.gz BSRUWBURKQNKSN-UHFFFAOYSA-N 1 3 356.514 2.937 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000280270766 511400916 /nfs/dbraw/zinc/40/09/16/511400916.db2.gz CYDZOXIBFONJQV-UXHICEINSA-N 1 3 350.466 2.717 20 30 FFEDHO C[NH+](C)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000280617937 511534531 /nfs/dbraw/zinc/53/45/31/511534531.db2.gz HGWNUTPCVSPCQF-PMACEKPBSA-N 1 3 352.482 2.867 20 30 FFEDHO C#CCOc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363894586 511835813 /nfs/dbraw/zinc/83/58/13/511835813.db2.gz ZVSVICZOJORZJS-UHFFFAOYSA-N 1 3 355.526 2.548 20 30 FFEDHO CCc1csc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000328615607 511893980 /nfs/dbraw/zinc/89/39/80/511893980.db2.gz RWGIBTGDCBXENA-UHFFFAOYSA-N 1 3 351.520 2.590 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1 ZINC000412313358 513035169 /nfs/dbraw/zinc/03/51/69/513035169.db2.gz IPTPZMMIKYJOKS-FQEVSTJZSA-N 1 3 350.466 2.575 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000412313358 513035173 /nfs/dbraw/zinc/03/51/73/513035173.db2.gz IPTPZMMIKYJOKS-FQEVSTJZSA-N 1 3 350.466 2.575 20 30 FFEDHO C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000469780159 515961698 /nfs/dbraw/zinc/96/16/98/515961698.db2.gz NGMCDTLYQCNOIJ-QGZVFWFLSA-N 1 3 369.513 2.571 20 30 FFEDHO CN(CCNC(=O)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1)Cc1ccccc1 ZINC000559107743 517085322 /nfs/dbraw/zinc/08/53/22/517085322.db2.gz SPIOJYLDKFJJNL-PZJWPPBQSA-N 1 3 368.525 2.639 20 30 FFEDHO C=CCc1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000567691342 518658119 /nfs/dbraw/zinc/65/81/19/518658119.db2.gz VDTWWQVCUMISIJ-RAFMOHDBSA-N 1 3 374.525 2.768 20 30 FFEDHO C=CCc1ccc(OC[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567691342 518658123 /nfs/dbraw/zinc/65/81/23/518658123.db2.gz VDTWWQVCUMISIJ-RAFMOHDBSA-N 1 3 374.525 2.768 20 30 FFEDHO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(OC)c1 ZINC000573477763 518685929 /nfs/dbraw/zinc/68/59/29/518685929.db2.gz JQQGPKVFVCYPRC-GBESFXJTSA-N 1 3 362.514 2.626 20 30 FFEDHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](N)CCCC#N)ccc21 ZINC000577277553 519002302 /nfs/dbraw/zinc/00/23/02/519002302.db2.gz SUPFILSGIKBNSR-SFHVURJKSA-N 1 3 355.486 2.943 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000602708294 521489613 /nfs/dbraw/zinc/48/96/13/521489613.db2.gz NVXXMDRJHUGEPL-SFHVURJKSA-N 1 3 356.514 2.982 20 30 FFEDHO C[NH+]=C(NCc1ccco1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000262356296 729664433 /nfs/dbraw/zinc/66/44/33/729664433.db2.gz JJZQMBMMRZGEMK-UHFFFAOYSA-N 1 3 358.408 2.750 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc(Br)ccc1F ZINC000303881273 729735129 /nfs/dbraw/zinc/73/51/29/729735129.db2.gz KRVMGFLTRGYDOX-AWEZNQCLSA-N 1 3 371.298 2.519 20 30 FFEDHO COCCN(C)CCCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303889913 729735546 /nfs/dbraw/zinc/73/55/46/729735546.db2.gz MHGZILXZPNFCIL-LBPRGKRZSA-N 1 3 361.317 2.927 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000876777430 732280059 /nfs/dbraw/zinc/28/00/59/732280059.db2.gz MTYRNHIQEXBLEI-CXAGYDPISA-N 1 3 351.878 2.816 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000876777430 732280062 /nfs/dbraw/zinc/28/00/62/732280062.db2.gz MTYRNHIQEXBLEI-CXAGYDPISA-N 1 3 351.878 2.816 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000876900972 732294638 /nfs/dbraw/zinc/29/46/38/732294638.db2.gz VVANWFZWNMGNRW-CEXWTWQISA-N 1 3 361.917 2.969 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000876900972 732294641 /nfs/dbraw/zinc/29/46/41/732294641.db2.gz VVANWFZWNMGNRW-CEXWTWQISA-N 1 3 361.917 2.969 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(c3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000817124239 742089950 /nfs/dbraw/zinc/08/99/50/742089950.db2.gz BKYPQGYKZALPBC-UHFFFAOYSA-N 1 3 353.923 2.665 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(c3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000817124239 742089953 /nfs/dbraw/zinc/08/99/53/742089953.db2.gz BKYPQGYKZALPBC-UHFFFAOYSA-N 1 3 353.923 2.665 20 30 FFEDHO C[NH+](C)CC1(CN2CCC3(C[C@H]3C(=O)NCCCC#N)CC2)CCCC1 ZINC001275863331 1013112900 /nfs/dbraw/zinc/11/29/00/1013112900.db2.gz YXFBIFVHYBFDTQ-SFHVURJKSA-N 1 3 360.546 2.630 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087212769 966579774 /nfs/dbraw/zinc/57/97/74/966579774.db2.gz PIPHHAMPZATBPG-OPYAIIAOSA-N 1 3 368.525 2.759 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001211627705 968422852 /nfs/dbraw/zinc/42/28/52/968422852.db2.gz OORAFYLNSLBIFQ-BDTNDASRSA-N 1 3 367.537 2.714 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1ccccc1 ZINC001211627705 968422859 /nfs/dbraw/zinc/42/28/59/968422859.db2.gz OORAFYLNSLBIFQ-BDTNDASRSA-N 1 3 367.537 2.714 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211677019 974986291 /nfs/dbraw/zinc/98/62/91/974986291.db2.gz YOWYAVIUOYGJSG-VQTJNVASSA-N 1 3 355.526 2.572 20 30 FFEDHO C=CC[C@]1(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CCC[NH2+]1 ZINC000662669624 975809651 /nfs/dbraw/zinc/80/96/51/975809651.db2.gz GRWGFTZKPLPDAF-PZJWPPBQSA-N 1 3 359.514 2.893 20 30 FFEDHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001112531426 975875205 /nfs/dbraw/zinc/87/52/05/975875205.db2.gz XAMZXMLSWJIXGI-FUDKSRODSA-N 1 3 367.537 2.597 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000664020032 977870872 /nfs/dbraw/zinc/87/08/72/977870872.db2.gz PWHMJUNKNURNGN-NRFANRHFSA-N 1 3 370.541 2.595 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000664020032 977870883 /nfs/dbraw/zinc/87/08/83/977870883.db2.gz PWHMJUNKNURNGN-NRFANRHFSA-N 1 3 370.541 2.595 20 30 FFEDHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000997100672 985131644 /nfs/dbraw/zinc/13/16/44/985131644.db2.gz NDMNXUDSDXDPCT-CBGDNZLLSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000997100672 985131652 /nfs/dbraw/zinc/13/16/52/985131652.db2.gz NDMNXUDSDXDPCT-CBGDNZLLSA-N 1 3 368.525 2.615 20 30 FFEDHO C#CCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC(C)(C)C1 ZINC001089499202 990649257 /nfs/dbraw/zinc/64/92/57/990649257.db2.gz BSEFLTPEKQWHAE-NJYVYQBISA-N 1 3 367.537 2.572 20 30 FFEDHO C#CCN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC(C)(C)C1 ZINC001089499202 990649259 /nfs/dbraw/zinc/64/92/59/990649259.db2.gz BSEFLTPEKQWHAE-NJYVYQBISA-N 1 3 367.537 2.572 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198884 991873668 /nfs/dbraw/zinc/87/36/68/991873668.db2.gz XAPFPWAZDIIRLW-RBUKOAKNSA-N 1 3 359.489 2.628 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187382 991897474 /nfs/dbraw/zinc/89/74/74/991897474.db2.gz CHOMNVAVPLWDSJ-QHAWAJNXSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187382 991897479 /nfs/dbraw/zinc/89/74/79/991897479.db2.gz CHOMNVAVPLWDSJ-QHAWAJNXSA-N 1 3 371.500 2.606 20 30 FFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084662972 996792232 /nfs/dbraw/zinc/79/22/32/996792232.db2.gz GBNUBCWNSCZCNL-MBOZVWFJSA-N 1 3 351.510 2.698 20 30 FFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084662972 996792241 /nfs/dbraw/zinc/79/22/41/996792241.db2.gz GBNUBCWNSCZCNL-MBOZVWFJSA-N 1 3 351.510 2.698 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2=CCCCC2)CC1 ZINC001096607451 1016346322 /nfs/dbraw/zinc/34/63/22/1016346322.db2.gz CHMNKZVSBWWRLN-HKBOAZHASA-N 1 3 355.526 2.554 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2=CCCCC2)CC1 ZINC001096607451 1016346329 /nfs/dbraw/zinc/34/63/29/1016346329.db2.gz CHMNKZVSBWWRLN-HKBOAZHASA-N 1 3 355.526 2.554 20 30 FFEDHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2C#N)C1 ZINC001112586371 1001538037 /nfs/dbraw/zinc/53/80/37/1001538037.db2.gz WKRKRSIAOGIPRA-UNMCSNQZSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(C)cc2)n1 ZINC000104190941 1009935331 /nfs/dbraw/zinc/93/53/31/1009935331.db2.gz QYZYJYCMSHKONI-GOSISDBHSA-N 1 3 355.486 2.581 20 30 FFEDHO C=CCOC1CCC(N2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)CC1 ZINC001173322482 1012441406 /nfs/dbraw/zinc/44/14/06/1012441406.db2.gz FJAAZUYJJPXUOZ-PGYGNJIDSA-N 1 3 364.530 2.850 20 30 FFEDHO C=CCOC1CCC(N2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)CC1 ZINC001173322482 1012441414 /nfs/dbraw/zinc/44/14/14/1012441414.db2.gz FJAAZUYJJPXUOZ-PGYGNJIDSA-N 1 3 364.530 2.850 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCC=C)CC1 ZINC001111455276 1017947027 /nfs/dbraw/zinc/94/70/27/1017947027.db2.gz WBGCLCJWIWOTCH-NJYVYQBISA-N 1 3 357.542 2.800 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCC=C)CC1 ZINC001111455276 1017947039 /nfs/dbraw/zinc/94/70/39/1017947039.db2.gz WBGCLCJWIWOTCH-NJYVYQBISA-N 1 3 357.542 2.800 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(CCC#N)cc3)CC2)CC1 ZINC000932572022 1020836688 /nfs/dbraw/zinc/83/66/88/1020836688.db2.gz SFZXHOIEQFCXHO-UHFFFAOYSA-N 1 3 369.513 2.823 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001122514161 1023313890 /nfs/dbraw/zinc/31/38/90/1023313890.db2.gz OLNBBXOVTPBYAW-IPMKNSEASA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001122514161 1023313895 /nfs/dbraw/zinc/31/38/95/1023313895.db2.gz OLNBBXOVTPBYAW-IPMKNSEASA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001122602927 1023361971 /nfs/dbraw/zinc/36/19/71/1023361971.db2.gz YYSMLNPAQGTZFY-RTBURBONSA-N 1 3 372.561 2.728 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001121596568 1023871509 /nfs/dbraw/zinc/87/15/09/1023871509.db2.gz TUYUIYBMKUSBSV-SFHVURJKSA-N 1 3 372.561 2.728 20 30 FFEDHO CN1CCC(N(c2nc(Cl)c(Cl)cc2C#N)C2CC[NH2+]CC2)CC1 ZINC001158580685 1027066249 /nfs/dbraw/zinc/06/62/49/1027066249.db2.gz JJMZTXSIWTXOLA-UHFFFAOYSA-N 1 3 368.312 2.913 20 30 FFEDHO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2nnn3c2CNCCC3)cc1 ZINC001162978829 1028743982 /nfs/dbraw/zinc/74/39/82/1028743982.db2.gz GZKFPCUARMGCKH-IBGZPJMESA-N 1 3 352.486 2.706 20 30 FFEDHO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2nnn3c2CNCCC3)cc1 ZINC001162978829 1028743990 /nfs/dbraw/zinc/74/39/90/1028743990.db2.gz GZKFPCUARMGCKH-IBGZPJMESA-N 1 3 352.486 2.706 20 30 FFEDHO CC(C)[N@@H+]1CC[C@@H](Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001163373178 1028910197 /nfs/dbraw/zinc/91/01/97/1028910197.db2.gz YKSPXERZCQTCCS-BZUAXINKSA-N 1 3 373.501 2.956 20 30 FFEDHO CC(C)[N@H+]1CC[C@@H](Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001163373178 1028910201 /nfs/dbraw/zinc/91/02/01/1028910201.db2.gz YKSPXERZCQTCCS-BZUAXINKSA-N 1 3 373.501 2.956 20 30 FFEDHO CN(C)CCC[N@H+](C)CCNc1ccc(C#N)c(Br)c1F ZINC001163700687 1029032152 /nfs/dbraw/zinc/03/21/52/1029032152.db2.gz JOJVXNPLEWEOEH-UHFFFAOYSA-N 1 3 357.271 2.755 20 30 FFEDHO CN(C)CCC[N@@H+](C)CCNc1ccc(C#N)c(Br)c1F ZINC001163700687 1029032165 /nfs/dbraw/zinc/03/21/65/1029032165.db2.gz JOJVXNPLEWEOEH-UHFFFAOYSA-N 1 3 357.271 2.755 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001205412600 1031725631 /nfs/dbraw/zinc/72/56/31/1031725631.db2.gz YYUNBTVCANOEKF-HBMCJLEFSA-N 1 3 371.500 2.607 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001205412600 1031725644 /nfs/dbraw/zinc/72/56/44/1031725644.db2.gz YYUNBTVCANOEKF-HBMCJLEFSA-N 1 3 371.500 2.607 20 30 FFEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001219235886 1033566929 /nfs/dbraw/zinc/56/69/29/1033566929.db2.gz HVTQNGRLZVOCEH-FXAWDEMLSA-N 1 3 363.465 2.514 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001220877164 1034439775 /nfs/dbraw/zinc/43/97/75/1034439775.db2.gz PWILYNSCYWVQJB-IBGZPJMESA-N 1 3 370.541 2.815 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001220877164 1034439780 /nfs/dbraw/zinc/43/97/80/1034439780.db2.gz PWILYNSCYWVQJB-IBGZPJMESA-N 1 3 370.541 2.815 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226160780 1034552380 /nfs/dbraw/zinc/55/23/80/1034552380.db2.gz KXHDBJCLELIMKI-YPAWHYETSA-N 1 3 367.537 2.928 20 30 FFEDHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001226801473 1034845759 /nfs/dbraw/zinc/84/57/59/1034845759.db2.gz YHJAVURPUUZJKX-NJYVYQBISA-N 1 3 371.500 2.534 20 30 FFEDHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001226824856 1034853728 /nfs/dbraw/zinc/85/37/28/1034853728.db2.gz POKFITKWRCJBCF-QZTJIDSGSA-N 1 3 360.527 2.621 20 30 FFEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000836467959 1036565603 /nfs/dbraw/zinc/56/56/03/1036565603.db2.gz TYXKRAAKIGUEHB-NRFANRHFSA-N 1 3 370.541 2.543 20 30 FFEDHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000836467959 1036565617 /nfs/dbraw/zinc/56/56/17/1036565617.db2.gz TYXKRAAKIGUEHB-NRFANRHFSA-N 1 3 370.541 2.543 20 30 FFEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000836467961 1036565841 /nfs/dbraw/zinc/56/58/41/1036565841.db2.gz TYXKRAAKIGUEHB-OAQYLSRUSA-N 1 3 370.541 2.543 20 30 FFEDHO C#CCN(C)CCCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000836467961 1036565856 /nfs/dbraw/zinc/56/58/56/1036565856.db2.gz TYXKRAAKIGUEHB-OAQYLSRUSA-N 1 3 370.541 2.543 20 30 FFEDHO C[C@@H]1C[C@H](N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC[NH2+]1 ZINC001246764438 1039470929 /nfs/dbraw/zinc/47/09/29/1039470929.db2.gz KGIWOFSFVQQMFV-STZQEDGTSA-N 1 3 368.525 2.618 20 30 FFEDHO C=CCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC001252495864 1039559714 /nfs/dbraw/zinc/55/97/14/1039559714.db2.gz SHNRKCFHSGWVGT-GOSISDBHSA-N 1 3 352.906 2.705 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934282 1041087149 /nfs/dbraw/zinc/08/71/49/1041087149.db2.gz NTWJMUBDDKDUCY-VAMGGRTRSA-N 1 3 365.562 2.669 20 30 FFEDHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001263903045 1042521719 /nfs/dbraw/zinc/52/17/19/1042521719.db2.gz FZMAEYGUHAXSCR-BHDDXSALSA-N 1 3 367.537 2.787 20 30 FFEDHO CCc1cc(C#N)ccc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001279869978 1043804866 /nfs/dbraw/zinc/80/48/66/1043804866.db2.gz SZAXIIRJWHMVLI-QFIPXVFZSA-N 1 3 354.542 2.970 20 30 FFEDHO CCc1cc(C#N)ccc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001279869978 1043804890 /nfs/dbraw/zinc/80/48/90/1043804890.db2.gz SZAXIIRJWHMVLI-QFIPXVFZSA-N 1 3 354.542 2.970 20 30 FFEDHO C#CCN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCN(C)CC1 ZINC001311345199 1043899497 /nfs/dbraw/zinc/89/94/97/1043899497.db2.gz UBPNEISIPCPVCP-UHFFFAOYSA-N 1 3 374.573 2.914 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cc1 ZINC001308169546 1052423987 /nfs/dbraw/zinc/42/39/87/1052423987.db2.gz CINVBIGMBXLNQX-SZPZYZBQSA-N 1 3 351.494 2.804 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1 ZINC001308169546 1052423990 /nfs/dbraw/zinc/42/39/90/1052423990.db2.gz CINVBIGMBXLNQX-SZPZYZBQSA-N 1 3 351.494 2.804 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001343824359 1052438904 /nfs/dbraw/zinc/43/89/04/1052438904.db2.gz UQAIOFFTZCLNHJ-RCCFBDPRSA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001343824359 1052438905 /nfs/dbraw/zinc/43/89/05/1052438905.db2.gz UQAIOFFTZCLNHJ-RCCFBDPRSA-N 1 3 360.550 2.582 20 30 FFEDHO C#CCN(Cc1ccccc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000848067324 1058863040 /nfs/dbraw/zinc/86/30/40/1058863040.db2.gz CAWWZUAYRKQCGJ-UHFFFAOYSA-N 1 3 367.537 2.845 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001467868196 1063870970 /nfs/dbraw/zinc/87/09/70/1063870970.db2.gz IWQXPXQLBMUOQJ-IBGZPJMESA-N 1 3 370.541 2.673 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001467868196 1063870980 /nfs/dbraw/zinc/87/09/80/1063870980.db2.gz IWQXPXQLBMUOQJ-IBGZPJMESA-N 1 3 370.541 2.673 20 30 FFEDHO C=CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001574924898 1078093560 /nfs/dbraw/zinc/09/35/60/1078093560.db2.gz BBWIRCUIIAORMB-IBGZPJMESA-N 1 3 368.529 2.670 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001566053267 1076881230 /nfs/dbraw/zinc/88/12/30/1076881230.db2.gz XFSGBNQJGNAAFY-RTWAWAEBSA-N 1 3 368.525 2.570 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001566053267 1076881234 /nfs/dbraw/zinc/88/12/34/1076881234.db2.gz XFSGBNQJGNAAFY-RTWAWAEBSA-N 1 3 368.525 2.570 20 30 FFEDHO C#CC[C@]1(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC001574525775 1078009101 /nfs/dbraw/zinc/00/91/01/1078009101.db2.gz RXPDEJQRWPVQOX-QGZVFWFLSA-N 1 3 353.388 2.851 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000079440486 507962396 /nfs/dbraw/zinc/96/23/96/507962396.db2.gz RDBQTZFMXFULTK-FQEVSTJZSA-N 1 3 371.529 2.612 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000106263913 508398662 /nfs/dbraw/zinc/39/86/62/508398662.db2.gz XONUFWPHESRQDZ-GOSISDBHSA-N 1 3 350.551 2.838 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000106263913 508398663 /nfs/dbraw/zinc/39/86/63/508398663.db2.gz XONUFWPHESRQDZ-GOSISDBHSA-N 1 3 350.551 2.838 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176092374 509320354 /nfs/dbraw/zinc/32/03/54/509320354.db2.gz XXKBOJOMHWSDED-QGZVFWFLSA-N 1 3 361.465 2.577 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176092374 509320359 /nfs/dbraw/zinc/32/03/59/509320359.db2.gz XXKBOJOMHWSDED-QGZVFWFLSA-N 1 3 361.465 2.577 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267348968 509461013 /nfs/dbraw/zinc/46/10/13/509461013.db2.gz PFPJIROLIXJHIW-GHTZIAJQSA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267348968 509461016 /nfs/dbraw/zinc/46/10/16/509461016.db2.gz PFPJIROLIXJHIW-GHTZIAJQSA-N 1 3 370.541 2.847 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282843959 511132766 /nfs/dbraw/zinc/13/27/66/511132766.db2.gz TYHHIAXJKPNJCC-NRFANRHFSA-N 1 3 367.537 2.749 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282843959 511132770 /nfs/dbraw/zinc/13/27/70/511132770.db2.gz TYHHIAXJKPNJCC-NRFANRHFSA-N 1 3 367.537 2.749 20 30 FFEDHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279610200 511145106 /nfs/dbraw/zinc/14/51/06/511145106.db2.gz TVSBNBQNOUYIJM-PFRQMTDMSA-N 1 3 352.482 2.723 20 30 FFEDHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279610200 511145109 /nfs/dbraw/zinc/14/51/09/511145109.db2.gz TVSBNBQNOUYIJM-PFRQMTDMSA-N 1 3 352.482 2.723 20 30 FFEDHO C[NH+](C)[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000280617943 511534087 /nfs/dbraw/zinc/53/40/87/511534087.db2.gz HGWNUTPCVSPCQF-VQTJNVASSA-N 1 3 352.482 2.867 20 30 FFEDHO C[NH+]1CCC2(CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000374054371 512642362 /nfs/dbraw/zinc/64/23/62/512642362.db2.gz WDNFGNIRTZOEBG-LJQANCHMSA-N 1 3 350.466 2.575 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000417074903 514154840 /nfs/dbraw/zinc/15/48/40/514154840.db2.gz ZDPOVSZTPUITRP-FQEVSTJZSA-N 1 3 356.514 2.788 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C(C)C ZINC000470755194 514595621 /nfs/dbraw/zinc/59/56/21/514595621.db2.gz KWXHZDICOKLHGD-UXHICEINSA-N 1 3 362.562 2.812 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000470969323 514698211 /nfs/dbraw/zinc/69/82/11/514698211.db2.gz SZOKVIIXNCEZKU-UXHICEINSA-N 1 3 350.466 2.621 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000470969323 514698218 /nfs/dbraw/zinc/69/82/18/514698218.db2.gz SZOKVIIXNCEZKU-UXHICEINSA-N 1 3 350.466 2.621 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915317 514830363 /nfs/dbraw/zinc/83/03/63/514830363.db2.gz HGIBAFJFWIUDSO-LJQANCHMSA-N 1 3 357.502 2.632 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915317 514830370 /nfs/dbraw/zinc/83/03/70/514830370.db2.gz HGIBAFJFWIUDSO-LJQANCHMSA-N 1 3 357.502 2.632 20 30 FFEDHO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029263 515944340 /nfs/dbraw/zinc/94/43/40/515944340.db2.gz QDXPZCKRVPSKQN-LAUBAEHRSA-N 1 3 371.529 2.673 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)C(C)C ZINC000457740187 516113385 /nfs/dbraw/zinc/11/33/85/516113385.db2.gz HGJTXKBXRQGXLE-MOPGFXCFSA-N 1 3 350.551 2.809 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)C(C)C ZINC000457740187 516113389 /nfs/dbraw/zinc/11/33/89/516113389.db2.gz HGJTXKBXRQGXLE-MOPGFXCFSA-N 1 3 350.551 2.809 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000553429094 517708050 /nfs/dbraw/zinc/70/80/50/517708050.db2.gz OHZRFWVDUULMDQ-UHFFFAOYSA-N 1 3 358.461 2.832 20 30 FFEDHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](N)CCCC#N)ccc21 ZINC000577277545 519002331 /nfs/dbraw/zinc/00/23/31/519002331.db2.gz SUPFILSGIKBNSR-GOSISDBHSA-N 1 3 355.486 2.943 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000594437653 519963818 /nfs/dbraw/zinc/96/38/18/519963818.db2.gz KIIOLCKLCQCJLB-RBBKRZOGSA-N 1 3 368.525 2.912 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000594437653 519963824 /nfs/dbraw/zinc/96/38/24/519963824.db2.gz KIIOLCKLCQCJLB-RBBKRZOGSA-N 1 3 368.525 2.912 20 30 FFEDHO N#Cc1ccc2ncc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)n2c1 ZINC000594969054 520234676 /nfs/dbraw/zinc/23/46/76/520234676.db2.gz LWPFFSWEXRQTOD-UHFFFAOYSA-N 1 3 360.465 2.603 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610407565 520669889 /nfs/dbraw/zinc/66/98/89/520669889.db2.gz ZLVMHFJXVWBXHR-XLIONFOSSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610407565 520669894 /nfs/dbraw/zinc/66/98/94/520669894.db2.gz ZLVMHFJXVWBXHR-XLIONFOSSA-N 1 3 371.529 2.677 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599360942 521175179 /nfs/dbraw/zinc/17/51/79/521175179.db2.gz XZNVPXSINUDIOD-HQRMLTQVSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H](NC[C@H](O)COc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599360942 521175184 /nfs/dbraw/zinc/17/51/84/521175184.db2.gz XZNVPXSINUDIOD-HQRMLTQVSA-N 1 3 357.498 2.541 20 30 FFEDHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000599360942 521175191 /nfs/dbraw/zinc/17/51/91/521175191.db2.gz XZNVPXSINUDIOD-HQRMLTQVSA-N 1 3 357.498 2.541 20 30 FFEDHO CC[NH+](CC)[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744422655 735353571 /nfs/dbraw/zinc/35/35/71/735353571.db2.gz NHADVBFTUDYBFD-GJZGRUSLSA-N 1 3 356.495 2.889 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1ccc(C#N)cc1 ZINC001104294441 962379477 /nfs/dbraw/zinc/37/94/77/962379477.db2.gz PZJJUCIFFXTGGJ-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001087214619 966631810 /nfs/dbraw/zinc/63/18/10/966631810.db2.gz FVTYNAOTVQWBDK-UXPWSPDFSA-N 1 3 356.514 2.615 20 30 FFEDHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001267257335 967492158 /nfs/dbraw/zinc/49/21/58/967492158.db2.gz ILCGALUXFIEHDN-YLJYHZDGSA-N 1 3 356.514 2.615 20 30 FFEDHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1C#N ZINC001267257335 967492164 /nfs/dbraw/zinc/49/21/64/967492164.db2.gz ILCGALUXFIEHDN-YLJYHZDGSA-N 1 3 356.514 2.615 20 30 FFEDHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001104641426 970010695 /nfs/dbraw/zinc/01/06/95/970010695.db2.gz RCCYHYKAGQPMBK-DUXKGJEZSA-N 1 3 370.541 2.719 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000305756463 1014168289 /nfs/dbraw/zinc/16/82/89/1014168289.db2.gz AZRSJCPIWVYTHQ-KRWDZBQOSA-N 1 3 360.502 2.531 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001211729858 977518642 /nfs/dbraw/zinc/51/86/42/977518642.db2.gz LHFBFYPGIAHSLW-BDTNDASRSA-N 1 3 367.537 2.714 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079202544 991877959 /nfs/dbraw/zinc/87/79/59/991877959.db2.gz ZLTGWAXRIHPZRS-HBMCJLEFSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cccc(F)c1 ZINC001079202544 991877962 /nfs/dbraw/zinc/87/79/62/991877962.db2.gz ZLTGWAXRIHPZRS-HBMCJLEFSA-N 1 3 371.500 2.606 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001081178078 993738404 /nfs/dbraw/zinc/73/84/04/993738404.db2.gz GXZPPEJTFDGFOP-VQTJNVASSA-N 1 3 355.526 2.879 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880879 997597991 /nfs/dbraw/zinc/59/79/91/997597991.db2.gz OMTGDZNXQSDWPL-DZFGPLHGSA-N 1 3 371.525 2.640 20 30 FFEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085203649 999156907 /nfs/dbraw/zinc/15/69/07/999156907.db2.gz URQGOLJMKNDWAF-ZJIFWQFVSA-N 1 3 372.351 2.642 20 30 FFEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085203649 999156910 /nfs/dbraw/zinc/15/69/10/999156910.db2.gz URQGOLJMKNDWAF-ZJIFWQFVSA-N 1 3 372.351 2.642 20 30 FFEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092658363 1003363650 /nfs/dbraw/zinc/36/36/50/1003363650.db2.gz RFOMQCDPARGTGL-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092658363 1003363662 /nfs/dbraw/zinc/36/36/62/1003363662.db2.gz RFOMQCDPARGTGL-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC001001422413 1016798768 /nfs/dbraw/zinc/79/87/68/1016798768.db2.gz OYQCBHZDUCSKBQ-LEWJYISDSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001001422413 1016798780 /nfs/dbraw/zinc/79/87/80/1016798780.db2.gz OYQCBHZDUCSKBQ-LEWJYISDSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357710 1005810714 /nfs/dbraw/zinc/81/07/14/1005810714.db2.gz SLDBPSQKZHRIOW-UTKZUKDTSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@H](C#N)Oc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000850357710 1005810719 /nfs/dbraw/zinc/81/07/19/1005810719.db2.gz SLDBPSQKZHRIOW-UTKZUKDTSA-N 1 3 365.477 2.834 20 30 FFEDHO O=C(C#CC1CC[NH2+]CC1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000852883113 1006222363 /nfs/dbraw/zinc/22/23/63/1006222363.db2.gz ASLSPRFTCORHIK-UHFFFAOYSA-N 1 3 373.928 2.767 20 30 FFEDHO CC(C)N1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@H](C)C1 ZINC001172980269 1012149084 /nfs/dbraw/zinc/14/90/84/1012149084.db2.gz VTNMRPFIIPUEEQ-OWSLCNJRSA-N 1 3 364.534 2.986 20 30 FFEDHO [NH2+]=C(NCCCCN1CCN(Cc2ccccc2)CC1)NC1CCCCC1 ZINC000303903490 1012513091 /nfs/dbraw/zinc/51/30/91/1012513091.db2.gz ULYATMHERFTRKN-UHFFFAOYSA-N 1 3 371.573 2.821 20 30 FFEDHO C#CCN1c2ccccc2C2(CC[NH+](CC(C)(C)CN(C)C)CC2)C1=O ZINC001275507727 1012561492 /nfs/dbraw/zinc/56/14/92/1012561492.db2.gz HYWAHCLXJWMISJ-UHFFFAOYSA-N 1 3 353.510 2.588 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1OC1CCCC1 ZINC000304665195 1012810360 /nfs/dbraw/zinc/81/03/60/1012810360.db2.gz KQCIHUHJEVXYIE-KRWDZBQOSA-N 1 3 374.529 2.905 20 30 FFEDHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccccc1O2 ZINC001120480740 1023336537 /nfs/dbraw/zinc/33/65/37/1023336537.db2.gz BTNMETNSGZVEGS-WMZOPIPTSA-N 1 3 355.482 2.619 20 30 FFEDHO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218542106 1033210514 /nfs/dbraw/zinc/21/05/14/1033210514.db2.gz QCIKKRQJRSDUPP-BFUOFWGJSA-N 1 3 370.453 2.563 20 30 FFEDHO N#Cc1c(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)[NH2+]C2)sc2c1CCNC2 ZINC001218553886 1033218823 /nfs/dbraw/zinc/21/88/23/1033218823.db2.gz SWYAITQOPWWBLF-PBHICJAKSA-N 1 3 366.490 2.945 20 30 FFEDHO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103436073 1027482164 /nfs/dbraw/zinc/48/21/64/1027482164.db2.gz JLGGNILAMAFEJA-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103436073 1027482167 /nfs/dbraw/zinc/48/21/67/1027482167.db2.gz JLGGNILAMAFEJA-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001112167398 1030131355 /nfs/dbraw/zinc/13/13/55/1030131355.db2.gz NXDRDORHVTWNNW-HUUCEWRRSA-N 1 3 363.468 2.909 20 30 FFEDHO C[NH+](C)CCCNC(=S)NN=C1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000841624785 1030376278 /nfs/dbraw/zinc/37/62/78/1030376278.db2.gz WISXKJMCGIGXLC-LJQANCHMSA-N 1 3 373.570 2.758 20 30 FFEDHO C[C@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCN(Cc2ccccc2)C1 ZINC000843406895 1031384644 /nfs/dbraw/zinc/38/46/44/1031384644.db2.gz MRPJYDQYRJRBPL-OAQYLSRUSA-N 1 3 360.465 2.603 20 30 FFEDHO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277734545 1036153598 /nfs/dbraw/zinc/15/35/98/1036153598.db2.gz JSAWJPXFIMGLEH-PZJWPPBQSA-N 1 3 367.578 2.584 20 30 FFEDHO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277734545 1036153607 /nfs/dbraw/zinc/15/36/07/1036153607.db2.gz JSAWJPXFIMGLEH-PZJWPPBQSA-N 1 3 367.578 2.584 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001356556935 1055577042 /nfs/dbraw/zinc/57/70/42/1055577042.db2.gz LEHHQXCQWXAPFC-GOSISDBHSA-N 1 3 374.577 2.974 20 30 FFEDHO N#Cc1c(F)cc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1F ZINC001357166032 1055801417 /nfs/dbraw/zinc/80/14/17/1055801417.db2.gz KAAMDCPBEJIHLT-FQEVSTJZSA-N 1 3 357.404 2.563 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001498045182 1063789153 /nfs/dbraw/zinc/78/91/53/1063789153.db2.gz JLUOIAYVUNNPBF-ZYSHUDEJSA-N 1 3 361.917 2.516 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001498045182 1063789169 /nfs/dbraw/zinc/78/91/69/1063789169.db2.gz JLUOIAYVUNNPBF-ZYSHUDEJSA-N 1 3 361.917 2.516 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000050024949 507653371 /nfs/dbraw/zinc/65/33/71/507653371.db2.gz CMTKBARUBNUEAL-LJQANCHMSA-N 1 3 373.566 2.983 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000073437142 507921440 /nfs/dbraw/zinc/92/14/40/507921440.db2.gz VFUQVPJJZAVKDZ-UHFFFAOYSA-N 1 3 356.514 2.763 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000106267707 508398639 /nfs/dbraw/zinc/39/86/39/508398639.db2.gz VXHIYJATYGODLZ-UHFFFAOYSA-N 1 3 362.562 2.981 20 30 FFEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000171704465 510319085 /nfs/dbraw/zinc/31/90/85/510319085.db2.gz OFLFTEMWCIINOS-UHFFFAOYSA-N 1 3 358.530 2.978 20 30 FFEDHO C=C(C)COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000282469858 510990773 /nfs/dbraw/zinc/99/07/73/510990773.db2.gz UPSJECDFTNVREV-UHFFFAOYSA-N 1 3 361.530 2.766 20 30 FFEDHO Cc1ccc(C(C)(C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000329568026 512071531 /nfs/dbraw/zinc/07/15/31/512071531.db2.gz LLAHHHWKFDDAEL-UHFFFAOYSA-N 1 3 373.545 2.687 20 30 FFEDHO C[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC[N@@H+]1C ZINC000329709092 512089339 /nfs/dbraw/zinc/08/93/39/512089339.db2.gz LKKXLFFNFAEETE-SJLPKXTDSA-N 1 3 373.497 2.743 20 30 FFEDHO C[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC[N@H+]1C ZINC000329709092 512089344 /nfs/dbraw/zinc/08/93/44/512089344.db2.gz LKKXLFFNFAEETE-SJLPKXTDSA-N 1 3 373.497 2.743 20 30 FFEDHO C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413175839 513500810 /nfs/dbraw/zinc/50/08/10/513500810.db2.gz KDOWFBQXLCTLBB-KZNAEPCWSA-N 1 3 356.514 2.710 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(C)C ZINC000417070757 514152745 /nfs/dbraw/zinc/15/27/45/514152745.db2.gz VSLKBASVJZTCOZ-VAMGGRTRSA-N 1 3 362.562 2.716 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475453790 514670829 /nfs/dbraw/zinc/67/08/29/514670829.db2.gz ZLDYVHJCNSTELT-NHCUHLMSSA-N 1 3 370.541 2.948 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475453790 514670837 /nfs/dbraw/zinc/67/08/37/514670837.db2.gz ZLDYVHJCNSTELT-NHCUHLMSSA-N 1 3 370.541 2.948 20 30 FFEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000482138028 515584562 /nfs/dbraw/zinc/58/45/62/515584562.db2.gz AYOQHRIOZPVLKM-ZJOUEHCJSA-N 1 3 359.514 2.788 20 30 FFEDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000482138028 515584568 /nfs/dbraw/zinc/58/45/68/515584568.db2.gz AYOQHRIOZPVLKM-ZJOUEHCJSA-N 1 3 359.514 2.788 20 30 FFEDHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594439577 519965696 /nfs/dbraw/zinc/96/56/96/519965696.db2.gz XLZLGLCEUGOESA-FQEVSTJZSA-N 1 3 356.514 2.768 20 30 FFEDHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594439577 519965704 /nfs/dbraw/zinc/96/57/04/519965704.db2.gz XLZLGLCEUGOESA-FQEVSTJZSA-N 1 3 356.514 2.768 20 30 FFEDHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCCC#N ZINC000594439865 519967696 /nfs/dbraw/zinc/96/76/96/519967696.db2.gz VOGUGJDTVZBEOB-VQTJNVASSA-N 1 3 356.514 2.768 20 30 FFEDHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCCC#N ZINC000594439865 519967698 /nfs/dbraw/zinc/96/76/98/519967698.db2.gz VOGUGJDTVZBEOB-VQTJNVASSA-N 1 3 356.514 2.768 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000594442710 519969759 /nfs/dbraw/zinc/96/97/59/519969759.db2.gz SQNUBPFFNVXNIP-UFYCRDLUSA-N 1 3 356.514 2.596 20 30 FFEDHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC2)cc1 ZINC000598721059 520809093 /nfs/dbraw/zinc/80/90/93/520809093.db2.gz RAQFHOODPZNUKZ-IBGZPJMESA-N 1 3 359.514 2.798 20 30 FFEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000599662091 521375027 /nfs/dbraw/zinc/37/50/27/521375027.db2.gz YCRIWNVSTGXEDI-OAQYLSRUSA-N 1 3 367.493 2.882 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000602691371 521481613 /nfs/dbraw/zinc/48/16/13/521481613.db2.gz SMQDXRKOZIMXLI-LJQANCHMSA-N 1 3 371.525 2.702 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)CC2)CC1 ZINC000594296430 521544269 /nfs/dbraw/zinc/54/42/69/521544269.db2.gz NLSLFYABJHXZOL-UWJYYQICSA-N 1 3 360.546 2.771 20 30 FFEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1C[C@H](C)C[C@H](C)C1 ZINC000086231562 728431979 /nfs/dbraw/zinc/43/19/79/728431979.db2.gz PVGHJAHRHFPXIB-HDICACEKSA-N 1 3 350.551 2.575 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000876744868 732275683 /nfs/dbraw/zinc/27/56/83/732275683.db2.gz YWJMLRBJGXFJJW-INIZCTEOSA-N 1 3 353.919 2.686 20 30 FFEDHO C[N@@H+]1CC[C@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000795340251 740006122 /nfs/dbraw/zinc/00/61/22/740006122.db2.gz ZGRYUUWKTRFPOX-KUHUBIRLSA-N 1 3 354.479 2.500 20 30 FFEDHO C[N@H+]1CC[C@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000795340251 740006129 /nfs/dbraw/zinc/00/61/29/740006129.db2.gz ZGRYUUWKTRFPOX-KUHUBIRLSA-N 1 3 354.479 2.500 20 30 FFEDHO CN(CCC[NH+]1CCCC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000799175626 740396596 /nfs/dbraw/zinc/39/65/96/740396596.db2.gz IGHBKPYREFRPJQ-HNNXBMFYSA-N 1 3 356.495 2.890 20 30 FFEDHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1cc(F)ccc1F ZINC000262305165 971754851 /nfs/dbraw/zinc/75/48/51/971754851.db2.gz RGPOMDHDAZOQIX-KRWDZBQOSA-N 1 3 374.435 2.983 20 30 FFEDHO C=CCN1c2ccccc2C2(CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001275881226 1013132978 /nfs/dbraw/zinc/13/29/78/1013132978.db2.gz YAKHLKIFBWERPM-SFHVURJKSA-N 1 3 353.510 2.895 20 30 FFEDHO C=CCN1c2ccccc2C2(CCN(C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001275881226 1013132986 /nfs/dbraw/zinc/13/29/86/1013132986.db2.gz YAKHLKIFBWERPM-SFHVURJKSA-N 1 3 353.510 2.895 20 30 FFEDHO C[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262013386 965312355 /nfs/dbraw/zinc/31/23/55/965312355.db2.gz XEORNXQLPPZCEY-VJANTYMQSA-N 1 3 360.550 2.604 20 30 FFEDHO C=CCN[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001267370765 968078099 /nfs/dbraw/zinc/07/80/99/968078099.db2.gz UFRWPHJTZHKBSN-BHIFYINESA-N 1 3 363.505 2.965 20 30 FFEDHO C=CCN[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001267370765 968078111 /nfs/dbraw/zinc/07/81/11/968078111.db2.gz UFRWPHJTZHKBSN-BHIFYINESA-N 1 3 363.505 2.965 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000664020035 977871282 /nfs/dbraw/zinc/87/12/82/977871282.db2.gz PWHMJUNKNURNGN-OAQYLSRUSA-N 1 3 370.541 2.595 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000664020035 977871293 /nfs/dbraw/zinc/87/12/93/977871293.db2.gz PWHMJUNKNURNGN-OAQYLSRUSA-N 1 3 370.541 2.595 20 30 FFEDHO C#CCN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CCN(C)CC1 ZINC000922328288 988422890 /nfs/dbraw/zinc/42/28/90/988422890.db2.gz AUXOIBWPFWFJJV-FQEVSTJZSA-N 1 3 360.546 2.523 20 30 FFEDHO C#CCN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CCN(C)CC1 ZINC000922328288 988422895 /nfs/dbraw/zinc/42/28/95/988422895.db2.gz AUXOIBWPFWFJJV-FQEVSTJZSA-N 1 3 360.546 2.523 20 30 FFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106665748 988608165 /nfs/dbraw/zinc/60/81/65/988608165.db2.gz AOGUXTURSYEBRH-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1cccc(F)c1 ZINC001079187369 991896964 /nfs/dbraw/zinc/89/69/64/991896964.db2.gz AXSXDKAFIADRBL-VQTJNVASSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@H]2C)CC1 ZINC001080992469 993543226 /nfs/dbraw/zinc/54/32/26/993543226.db2.gz LPSMUVIKRZKDAQ-STZQEDGTSA-N 1 3 367.537 2.919 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)c3ccccc3)C[C@H]2C)CC1 ZINC001080992469 993543230 /nfs/dbraw/zinc/54/32/30/993543230.db2.gz LPSMUVIKRZKDAQ-STZQEDGTSA-N 1 3 367.537 2.919 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2C)CC1 ZINC001080997892 993549679 /nfs/dbraw/zinc/54/96/79/993549679.db2.gz OBGUPANDDBGQIE-WIYYLYMNSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2C)CC1 ZINC001080997892 993549686 /nfs/dbraw/zinc/54/96/86/993549686.db2.gz OBGUPANDDBGQIE-WIYYLYMNSA-N 1 3 359.558 2.739 20 30 FFEDHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)N1CCCC1 ZINC001085295740 999313145 /nfs/dbraw/zinc/31/31/45/999313145.db2.gz WZRNQVOZLVERNS-WOJBJXKFSA-N 1 3 368.525 2.950 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CC3(CCC3)C2)CC1 ZINC001096605340 1016341773 /nfs/dbraw/zinc/34/17/73/1016341773.db2.gz JWEUERDDIVUXAZ-HKBOAZHASA-N 1 3 369.553 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CC3(CCC3)C2)CC1 ZINC001096605340 1016341784 /nfs/dbraw/zinc/34/17/84/1016341784.db2.gz JWEUERDDIVUXAZ-HKBOAZHASA-N 1 3 369.553 2.633 20 30 FFEDHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001112567411 1001498491 /nfs/dbraw/zinc/49/84/91/1001498491.db2.gz NFSMHBKMGAFAKB-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170861348 1007538997 /nfs/dbraw/zinc/53/89/97/1007538997.db2.gz CZTNGJFLCUPEHB-SQGPQFPESA-N 1 3 356.514 2.663 20 30 FFEDHO C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861348 1007539014 /nfs/dbraw/zinc/53/90/14/1007539014.db2.gz CZTNGJFLCUPEHB-SQGPQFPESA-N 1 3 356.514 2.663 20 30 FFEDHO C(#Cc1ccccc1)c1ccc(CN2CCNC3(CC[NH2+]CC3)C2)s1 ZINC001222095472 1032756785 /nfs/dbraw/zinc/75/67/85/1032756785.db2.gz UMZYQHJZXKWMPG-UHFFFAOYSA-N 1 3 351.519 2.675 20 30 FFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015520 1019900886 /nfs/dbraw/zinc/90/08/86/1019900886.db2.gz JFGFPFKNEURGPA-NHAYFPRASA-N 1 3 351.510 2.887 20 30 FFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015520 1019900891 /nfs/dbraw/zinc/90/08/91/1019900891.db2.gz JFGFPFKNEURGPA-NHAYFPRASA-N 1 3 351.510 2.887 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001099262042 1022185341 /nfs/dbraw/zinc/18/53/41/1022185341.db2.gz BUXRNKYPFSALDF-OAGGEKHMSA-N 1 3 359.436 2.558 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC001099262042 1022185345 /nfs/dbraw/zinc/18/53/45/1022185345.db2.gz BUXRNKYPFSALDF-OAGGEKHMSA-N 1 3 359.436 2.558 20 30 FFEDHO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001102059103 1025375147 /nfs/dbraw/zinc/37/51/47/1025375147.db2.gz AXWKMIAVGGRXDI-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001102059103 1025375158 /nfs/dbraw/zinc/37/51/58/1025375158.db2.gz AXWKMIAVGGRXDI-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083904 1026945175 /nfs/dbraw/zinc/94/51/75/1026945175.db2.gz OMSJOFKIUMMJOV-IEBWSBKVSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CCNC(=O)C1(N(C)C)CCC1 ZINC001103083904 1026945183 /nfs/dbraw/zinc/94/51/83/1026945183.db2.gz OMSJOFKIUMMJOV-IEBWSBKVSA-N 1 3 368.525 2.617 20 30 FFEDHO C[NH+]1CCC2(CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000799178310 1031682935 /nfs/dbraw/zinc/68/29/35/1031682935.db2.gz LQWSSCBNQJQVMO-FQEVSTJZSA-N 1 3 366.509 2.861 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001226843966 1034859016 /nfs/dbraw/zinc/85/90/16/1034859016.db2.gz XLLATNVYFMABMY-ICSRJNTNSA-N 1 3 370.541 2.704 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001226843966 1034859023 /nfs/dbraw/zinc/85/90/23/1034859023.db2.gz XLLATNVYFMABMY-ICSRJNTNSA-N 1 3 370.541 2.704 20 30 FFEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)CC ZINC001227158436 1034953670 /nfs/dbraw/zinc/95/36/70/1034953670.db2.gz JTEDBOVJGUHQAG-ZIAGYGMSSA-N 1 3 360.340 2.642 20 30 FFEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227158436 1034953678 /nfs/dbraw/zinc/95/36/78/1034953678.db2.gz JTEDBOVJGUHQAG-ZIAGYGMSSA-N 1 3 360.340 2.642 20 30 FFEDHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001229231209 1036565277 /nfs/dbraw/zinc/56/52/77/1036565277.db2.gz NMIDYCMVJIRCON-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO CC(=O)n1ccc2cc(C[C@@H](C)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc(C#N)c21 ZINC001246329305 1039315313 /nfs/dbraw/zinc/31/53/13/1039315313.db2.gz UXPPLTSJRCBEIM-USSPMGPRSA-N 1 3 350.466 2.977 20 30 FFEDHO C[C@@H]1C[C@H](N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC[NH2+]1 ZINC001246764434 1039470790 /nfs/dbraw/zinc/47/07/90/1039470790.db2.gz KGIWOFSFVQQMFV-QIJUGHKUSA-N 1 3 368.525 2.618 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593412 1040701146 /nfs/dbraw/zinc/70/11/46/1040701146.db2.gz YMOYZBJDZUQCPY-VAMGGRTRSA-N 1 3 367.578 2.915 20 30 FFEDHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001254529195 1040783900 /nfs/dbraw/zinc/78/39/00/1040783900.db2.gz FIBNVYDRPIPOQK-LJQANCHMSA-N 1 3 355.486 2.628 20 30 FFEDHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001254529195 1040783914 /nfs/dbraw/zinc/78/39/14/1040783914.db2.gz FIBNVYDRPIPOQK-LJQANCHMSA-N 1 3 355.486 2.628 20 30 FFEDHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001216773027 1042118926 /nfs/dbraw/zinc/11/89/26/1042118926.db2.gz VSKRBURGURNCBI-IFMALSPDSA-N 1 3 367.537 2.741 20 30 FFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096805 1042623338 /nfs/dbraw/zinc/62/33/38/1042623338.db2.gz SFGOBJOQUWGISP-LQWHRVPQSA-N 1 3 365.537 2.945 20 30 FFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001264096805 1042623339 /nfs/dbraw/zinc/62/33/39/1042623339.db2.gz SFGOBJOQUWGISP-LQWHRVPQSA-N 1 3 365.537 2.945 20 30 FFEDHO CN1CCC2(CC1)C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1O2 ZINC001356569814 1055588038 /nfs/dbraw/zinc/58/80/38/1055588038.db2.gz PMDUSDBSYLMLQU-SJLPKXTDSA-N 1 3 357.498 2.865 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001515823519 1059819145 /nfs/dbraw/zinc/81/91/45/1059819145.db2.gz PCYYXSZZEIGLAD-MOPGFXCFSA-N 1 3 372.561 2.728 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000106334426 508399420 /nfs/dbraw/zinc/39/94/20/508399420.db2.gz QZNROOASERPKAB-FXAWDEMLSA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)C(C)C ZINC000119704901 508847594 /nfs/dbraw/zinc/84/75/94/508847594.db2.gz IUEDSTTYZVTEKC-FQEVSTJZSA-N 1 3 362.562 2.955 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000163455832 509378423 /nfs/dbraw/zinc/37/84/23/509378423.db2.gz VBFZXEGGARBQAZ-JOCHJYFZSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000163455832 509378431 /nfs/dbraw/zinc/37/84/31/509378431.db2.gz VBFZXEGGARBQAZ-JOCHJYFZSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000176720664 509657077 /nfs/dbraw/zinc/65/70/77/509657077.db2.gz MAZUJLKEZSJZRF-NQIIRXRSSA-N 1 3 353.510 2.501 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000176720664 509657083 /nfs/dbraw/zinc/65/70/83/509657083.db2.gz MAZUJLKEZSJZRF-NQIIRXRSSA-N 1 3 353.510 2.501 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000299200165 511550211 /nfs/dbraw/zinc/55/02/11/511550211.db2.gz FPMDGRXCAWQGGZ-MJGOQNOKSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000299200165 511550216 /nfs/dbraw/zinc/55/02/16/511550216.db2.gz FPMDGRXCAWQGGZ-MJGOQNOKSA-N 1 3 372.513 2.613 20 30 FFEDHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292937533 511778568 /nfs/dbraw/zinc/77/85/68/511778568.db2.gz JPQOYKPRIVVPRR-IBGZPJMESA-N 1 3 360.889 2.958 20 30 FFEDHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292937533 511778573 /nfs/dbraw/zinc/77/85/73/511778573.db2.gz JPQOYKPRIVVPRR-IBGZPJMESA-N 1 3 360.889 2.958 20 30 FFEDHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281674120 511927800 /nfs/dbraw/zinc/92/78/00/511927800.db2.gz UCEVWQIWSMSEIT-UXHICEINSA-N 1 3 352.482 2.725 20 30 FFEDHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281674120 511927804 /nfs/dbraw/zinc/92/78/04/511927804.db2.gz UCEVWQIWSMSEIT-UXHICEINSA-N 1 3 352.482 2.725 20 30 FFEDHO C[NH+](C)CCCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281729281 511946303 /nfs/dbraw/zinc/94/63/03/511946303.db2.gz XDKPYDRLWDXELW-HXUWFJFHSA-N 1 3 352.482 2.821 20 30 FFEDHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000329087733 511980246 /nfs/dbraw/zinc/98/02/46/511980246.db2.gz HMKCIQMHVSQFPN-SFHVURJKSA-N 1 3 369.513 2.942 20 30 FFEDHO CN1CC[NH+](CC2CCN(Cc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000367691085 512617235 /nfs/dbraw/zinc/61/72/35/512617235.db2.gz VWRSMFDHMSAJDI-UHFFFAOYSA-N 1 3 370.541 2.829 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C(C)C ZINC000415953256 513497364 /nfs/dbraw/zinc/49/73/64/513497364.db2.gz FGYDZOMWNWIGFG-PXNSSMCTSA-N 1 3 371.529 2.718 20 30 FFEDHO C[N@H+](CCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000442778158 513778399 /nfs/dbraw/zinc/77/83/99/513778399.db2.gz KBODDLZMCYOKGO-PKOBYXMFSA-N 1 3 357.498 2.958 20 30 FFEDHO C[N@@H+](CCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000442778158 513778404 /nfs/dbraw/zinc/77/84/04/513778404.db2.gz KBODDLZMCYOKGO-PKOBYXMFSA-N 1 3 357.498 2.958 20 30 FFEDHO C[N@H+](CCOc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1)C1CCOCC1 ZINC000442778152 513778428 /nfs/dbraw/zinc/77/84/28/513778428.db2.gz KBODDLZMCYOKGO-IEBWSBKVSA-N 1 3 357.498 2.958 20 30 FFEDHO C[N@@H+](CCOc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1)C1CCOCC1 ZINC000442778152 513778435 /nfs/dbraw/zinc/77/84/35/513778435.db2.gz KBODDLZMCYOKGO-IEBWSBKVSA-N 1 3 357.498 2.958 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C(C)C ZINC000457738372 516110165 /nfs/dbraw/zinc/11/01/65/516110165.db2.gz GBCZRLLNSVXDBD-TZIWHRDSSA-N 1 3 362.562 2.812 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C(C)C ZINC000457738372 516110174 /nfs/dbraw/zinc/11/01/74/516110174.db2.gz GBCZRLLNSVXDBD-TZIWHRDSSA-N 1 3 362.562 2.812 20 30 FFEDHO CC(C)[N@H+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000525921769 517234175 /nfs/dbraw/zinc/23/41/75/517234175.db2.gz QWIQESAHQKCXIW-HXUWFJFHSA-N 1 3 352.482 2.819 20 30 FFEDHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000525921769 517234186 /nfs/dbraw/zinc/23/41/86/517234186.db2.gz QWIQESAHQKCXIW-HXUWFJFHSA-N 1 3 352.482 2.819 20 30 FFEDHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)C1 ZINC000594439740 519966816 /nfs/dbraw/zinc/96/68/16/519966816.db2.gz UYOJOPFPLFKDMJ-VQIMIIECSA-N 1 3 358.486 2.757 20 30 FFEDHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](N)CCCCC#N)cc2)C1 ZINC000594439740 519966824 /nfs/dbraw/zinc/96/68/24/519966824.db2.gz UYOJOPFPLFKDMJ-VQIMIIECSA-N 1 3 358.486 2.757 20 30 FFEDHO N#CCCCC[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000594438915 519967616 /nfs/dbraw/zinc/96/76/16/519967616.db2.gz MZFFNRIQKLOLAU-HXUWFJFHSA-N 1 3 369.513 2.568 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000594442708 519969362 /nfs/dbraw/zinc/96/93/62/519969362.db2.gz SQNUBPFFNVXNIP-HSALFYBXSA-N 1 3 356.514 2.596 20 30 FFEDHO CN(CCCC[NH+]1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000603406552 520251941 /nfs/dbraw/zinc/25/19/41/520251941.db2.gz KEXQWPKFMVQMDX-HXUWFJFHSA-N 1 3 352.482 2.965 20 30 FFEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000611587611 521239221 /nfs/dbraw/zinc/23/92/21/521239221.db2.gz FZQIAWYECKXGHU-KSEOMHKRSA-N 1 3 352.526 2.865 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)cc1Cl ZINC000303893913 729735636 /nfs/dbraw/zinc/73/56/36/729735636.db2.gz SFSHMJMMODUWRP-ZDUSSCGKSA-N 1 3 373.726 2.991 20 30 FFEDHO CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)Oc1ccccc1Cl ZINC000304672540 729736790 /nfs/dbraw/zinc/73/67/90/729736790.db2.gz CIRJXJISJVRJLJ-GJZGRUSLSA-N 1 3 352.910 2.886 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000876758734 732277563 /nfs/dbraw/zinc/27/75/63/732277563.db2.gz MEKDIBCBLKTZMT-ICSRJNTNSA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876758734 732277565 /nfs/dbraw/zinc/27/75/65/732277565.db2.gz MEKDIBCBLKTZMT-ICSRJNTNSA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262352906 972053872 /nfs/dbraw/zinc/05/38/72/972053872.db2.gz FLPGTNLFBUALMP-OTWHNJEPSA-N 1 3 362.562 2.786 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001211615844 968027337 /nfs/dbraw/zinc/02/73/37/968027337.db2.gz JIYQNPMCHZMABS-BHIFYINESA-N 1 3 367.537 2.572 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1ccccc1 ZINC001211615844 968027350 /nfs/dbraw/zinc/02/73/50/968027350.db2.gz JIYQNPMCHZMABS-BHIFYINESA-N 1 3 367.537 2.572 20 30 FFEDHO Cn1cccc1C(O)=CONC(=N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000170641639 970229623 /nfs/dbraw/zinc/22/96/23/970229623.db2.gz DEYJEKBDBLEJON-UHFFFAOYSA-N 1 3 354.454 2.531 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001211676319 974987431 /nfs/dbraw/zinc/98/74/31/974987431.db2.gz JBLXGTHLVFXZOK-VQTJNVASSA-N 1 3 355.526 2.879 20 30 FFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244380 979278855 /nfs/dbraw/zinc/27/88/55/979278855.db2.gz PZUZDUQMPWZKAM-QKLQHJQFSA-N 1 3 351.510 2.698 20 30 FFEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244380 979278858 /nfs/dbraw/zinc/27/88/58/979278858.db2.gz PZUZDUQMPWZKAM-QKLQHJQFSA-N 1 3 351.510 2.698 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198911 991873352 /nfs/dbraw/zinc/87/33/52/991873352.db2.gz YMJQMHQLDQSTDW-LSTHTHJFSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]2C)CC1 ZINC001080992307 993543207 /nfs/dbraw/zinc/54/32/07/993543207.db2.gz DHQJPTJSRDFRFA-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]2C)CC1 ZINC001080992307 993543211 /nfs/dbraw/zinc/54/32/11/993543211.db2.gz DHQJPTJSRDFRFA-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CC)cc3)C[C@H]2C)CC1 ZINC001080997972 993548406 /nfs/dbraw/zinc/54/84/06/993548406.db2.gz QNELYFOAGIKDFS-XMSQKQJNSA-N 1 3 367.537 2.531 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CC)cc3)C[C@H]2C)CC1 ZINC001080997972 993548408 /nfs/dbraw/zinc/54/84/08/993548408.db2.gz QNELYFOAGIKDFS-XMSQKQJNSA-N 1 3 367.537 2.531 20 30 FFEDHO C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001131564692 994405796 /nfs/dbraw/zinc/40/57/96/994405796.db2.gz QREMIBFBOGQOCZ-QUCCMNQESA-N 1 3 365.562 2.526 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001086700869 995329248 /nfs/dbraw/zinc/32/92/48/995329248.db2.gz QLJYREBBQLKVDP-NASSWSRMSA-N 1 3 368.525 2.663 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3ccccc3C#N)C2)CC[N@H+]1C ZINC001086700869 995329253 /nfs/dbraw/zinc/32/92/53/995329253.db2.gz QLJYREBBQLKVDP-NASSWSRMSA-N 1 3 368.525 2.663 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccsc2)C3)CC1 ZINC001099174451 1021999592 /nfs/dbraw/zinc/99/95/92/1021999592.db2.gz NHHRCKJUXLOGTB-FPOVZHCZSA-N 1 3 371.550 2.564 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccsc2)C3)CC1 ZINC001099174451 1021999596 /nfs/dbraw/zinc/99/95/96/1021999596.db2.gz NHHRCKJUXLOGTB-FPOVZHCZSA-N 1 3 371.550 2.564 20 30 FFEDHO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001122401770 1023246670 /nfs/dbraw/zinc/24/66/70/1023246670.db2.gz FMUJNHMPJIGBNQ-IRXDYDNUSA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001122514072 1023314195 /nfs/dbraw/zinc/31/41/95/1023314195.db2.gz NKPFLBPGLFXREZ-ZWKOTPCHSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001122514072 1023314202 /nfs/dbraw/zinc/31/42/02/1023314202.db2.gz NKPFLBPGLFXREZ-ZWKOTPCHSA-N 1 3 360.550 2.584 20 30 FFEDHO CCC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001103662768 1027921819 /nfs/dbraw/zinc/92/18/19/1027921819.db2.gz PTTCTSXNDHPVLH-UYAOXDASSA-N 1 3 370.541 2.864 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001103662768 1027921828 /nfs/dbraw/zinc/92/18/28/1027921828.db2.gz PTTCTSXNDHPVLH-UYAOXDASSA-N 1 3 370.541 2.864 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H](C)CCC=C)C3)CC1 ZINC001112004172 1029852485 /nfs/dbraw/zinc/85/24/85/1029852485.db2.gz OBJJDLLSRFSCMT-VCOUNFBDSA-N 1 3 357.542 2.657 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](C)CCC=C)C3)CC1 ZINC001112004172 1029852491 /nfs/dbraw/zinc/85/24/91/1029852491.db2.gz OBJJDLLSRFSCMT-VCOUNFBDSA-N 1 3 357.542 2.657 20 30 FFEDHO C#Cc1ccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000840973317 1029955872 /nfs/dbraw/zinc/95/58/72/1029955872.db2.gz INLFNXNBIDYMGG-UHFFFAOYSA-N 1 3 361.489 2.655 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001205313023 1031664741 /nfs/dbraw/zinc/66/47/41/1031664741.db2.gz NTBXIWTYGNLJBB-DZFGPLHGSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205412420 1031723502 /nfs/dbraw/zinc/72/35/02/1031723502.db2.gz NPBXREQMFVKWHC-IPMKNSEASA-N 1 3 365.468 2.576 20 30 FFEDHO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001219483458 1033665111 /nfs/dbraw/zinc/66/51/11/1033665111.db2.gz WWUYIDLCHVBKHW-HNNXBMFYSA-N 1 3 351.954 2.964 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC001220868366 1034437563 /nfs/dbraw/zinc/43/75/63/1034437563.db2.gz HFJNWNCPRRIYMV-SJORKVTESA-N 1 3 369.431 2.732 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001226160776 1034551815 /nfs/dbraw/zinc/55/18/15/1034551815.db2.gz KXHDBJCLELIMKI-VSKRKVRLSA-N 1 3 367.537 2.928 20 30 FFEDHO N#Cc1ccc(CN(C(=O)[C@@H](N)CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001221185713 1034593207 /nfs/dbraw/zinc/59/32/07/1034593207.db2.gz FNVSZCDUOMHVFT-UFYCRDLUSA-N 1 3 354.498 2.674 20 30 FFEDHO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001277840440 1036967433 /nfs/dbraw/zinc/96/74/33/1036967433.db2.gz FWHKPAOSIOZFSP-XUVXKRRUSA-N 1 3 365.562 2.501 20 30 FFEDHO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001277840440 1036967444 /nfs/dbraw/zinc/96/74/44/1036967444.db2.gz FWHKPAOSIOZFSP-XUVXKRRUSA-N 1 3 365.562 2.501 20 30 FFEDHO CCC1(C[NH+]2CCC3(CCN(Cc4cc(C#N)n(C)c4)C3)CC2)COC1 ZINC001278472793 1039530316 /nfs/dbraw/zinc/53/03/16/1039530316.db2.gz WRMOPEHZBRGAMO-UHFFFAOYSA-N 1 3 356.514 2.611 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263331458 1042244295 /nfs/dbraw/zinc/24/42/95/1042244295.db2.gz PMDMYVNKHLBLOY-RTBURBONSA-N 1 3 374.577 2.832 20 30 FFEDHO C#CCOc1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)cc1 ZINC001279594872 1043311664 /nfs/dbraw/zinc/31/16/64/1043311664.db2.gz DZLYMEBYTFTQDE-QFIPXVFZSA-N 1 3 355.526 2.548 20 30 FFEDHO C#CCOc1ccc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)cc1 ZINC001279594872 1043311666 /nfs/dbraw/zinc/31/16/66/1043311666.db2.gz DZLYMEBYTFTQDE-QFIPXVFZSA-N 1 3 355.526 2.548 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001342355254 1050950808 /nfs/dbraw/zinc/95/08/08/1050950808.db2.gz OLNBBXOVTPBYAW-FHWLQOOXSA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001342355254 1050950817 /nfs/dbraw/zinc/95/08/17/1050950817.db2.gz OLNBBXOVTPBYAW-FHWLQOOXSA-N 1 3 374.577 2.830 20 30 FFEDHO CCC#C[C@H](C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001307508332 1052315013 /nfs/dbraw/zinc/31/50/13/1052315013.db2.gz TZCIUPCZXSYAAQ-IBGZPJMESA-N 1 3 355.526 2.749 20 30 FFEDHO C#CCOc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000847474180 1055868699 /nfs/dbraw/zinc/86/86/99/1055868699.db2.gz WZHLJDZWSYMCFP-UHFFFAOYSA-N 1 3 369.509 2.833 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001520460295 1059702379 /nfs/dbraw/zinc/70/23/79/1059702379.db2.gz TUYUIYBMKUSBSV-GOSISDBHSA-N 1 3 372.561 2.728 20 30 FFEDHO C=CC[C@]1(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CCC[NH2+]1 ZINC001574893050 1078091124 /nfs/dbraw/zinc/09/11/24/1078091124.db2.gz NWIXBRYUSBDKOK-PZJWPPBQSA-N 1 3 359.514 2.891 20 30 FFEDHO C#Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1 ZINC001563327166 1076541845 /nfs/dbraw/zinc/54/18/45/1076541845.db2.gz BRTDPMNERDNHTQ-AWEZNQCLSA-N 1 3 350.894 2.715 20 30 FFEDHO C#Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1 ZINC001563327166 1076541850 /nfs/dbraw/zinc/54/18/50/1076541850.db2.gz BRTDPMNERDNHTQ-AWEZNQCLSA-N 1 3 350.894 2.715 20 30 FFEDHO C#CCOc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937368 507940155 /nfs/dbraw/zinc/94/01/55/507940155.db2.gz MOFJOSPTPFRBER-QGZVFWFLSA-N 1 3 353.466 2.885 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000077201179 508286274 /nfs/dbraw/zinc/28/62/74/508286274.db2.gz GTDPESYUEAABBG-IBGZPJMESA-N 1 3 357.502 2.632 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000077201179 508286276 /nfs/dbraw/zinc/28/62/76/508286276.db2.gz GTDPESYUEAABBG-IBGZPJMESA-N 1 3 357.502 2.632 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000106265945 508398769 /nfs/dbraw/zinc/39/87/69/508398769.db2.gz AFFJPBUJYQQLPI-KRWDZBQOSA-N 1 3 350.551 2.837 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000106265945 508398768 /nfs/dbraw/zinc/39/87/68/508398768.db2.gz AFFJPBUJYQQLPI-KRWDZBQOSA-N 1 3 350.551 2.837 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106335221 508399461 /nfs/dbraw/zinc/39/94/61/508399461.db2.gz XYLVZYQDPOSMKH-FGTMMUONSA-N 1 3 350.551 2.693 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106335221 508399462 /nfs/dbraw/zinc/39/94/62/508399462.db2.gz XYLVZYQDPOSMKH-FGTMMUONSA-N 1 3 350.551 2.693 20 30 FFEDHO COCC[N@H+](C)CCCC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000122104137 508481864 /nfs/dbraw/zinc/48/18/64/508481864.db2.gz XZGGLKQALRPBHT-OAQYLSRUSA-N 1 3 359.514 2.662 20 30 FFEDHO COCC[N@@H+](C)CCCC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000122104137 508481869 /nfs/dbraw/zinc/48/18/69/508481869.db2.gz XZGGLKQALRPBHT-OAQYLSRUSA-N 1 3 359.514 2.662 20 30 FFEDHO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248398582 509293725 /nfs/dbraw/zinc/29/37/25/509293725.db2.gz NMWGPSDFZDRMAW-JZZBYWGLSA-N 1 3 370.541 2.787 20 30 FFEDHO Cn1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1C#N ZINC000190790896 510345545 /nfs/dbraw/zinc/34/55/45/510345545.db2.gz PQTUHQKICIJXOX-UHFFFAOYSA-N 1 3 365.525 2.584 20 30 FFEDHO C[C@H]1CN(CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCCO1 ZINC000277279961 510957996 /nfs/dbraw/zinc/95/79/96/510957996.db2.gz JYJYAGBMUQDUHK-ZDUSSCGKSA-N 1 3 374.407 2.813 20 30 FFEDHO C[C@@H]1CCC[C@@](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000279451321 511087447 /nfs/dbraw/zinc/08/74/47/511087447.db2.gz FZQSDOBOJQBBTA-OZOXKJRCSA-N 1 3 352.482 2.867 20 30 FFEDHO C[NH+](C)[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000280617940 511533995 /nfs/dbraw/zinc/53/39/95/511533995.db2.gz HGWNUTPCVSPCQF-UXHICEINSA-N 1 3 352.482 2.867 20 30 FFEDHO [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000329736679 512092309 /nfs/dbraw/zinc/09/23/09/512092309.db2.gz LQICICDJJPDBMT-DLBZAZTESA-N 1 3 359.518 2.769 20 30 FFEDHO [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000329736679 512092312 /nfs/dbraw/zinc/09/23/12/512092312.db2.gz LQICICDJJPDBMT-DLBZAZTESA-N 1 3 359.518 2.769 20 30 FFEDHO C[C@H]1N(CC#CC[N@@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000367461507 512510392 /nfs/dbraw/zinc/51/03/92/512510392.db2.gz AGWZLQJFBPMNII-WOJBJXKFSA-N 1 3 360.542 2.772 20 30 FFEDHO C[C@H]1N(CC#CC[N@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000367461507 512510397 /nfs/dbraw/zinc/51/03/97/512510397.db2.gz AGWZLQJFBPMNII-WOJBJXKFSA-N 1 3 360.542 2.772 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC000542685534 517685829 /nfs/dbraw/zinc/68/58/29/517685829.db2.gz KDTASVCTLIEBRA-UHFFFAOYSA-N 1 3 360.889 2.500 20 30 FFEDHO C[NH+](C)CCOc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000590052000 519138125 /nfs/dbraw/zinc/13/81/25/519138125.db2.gz QCYGVUTWSRCZEA-FQEVSTJZSA-N 1 3 366.465 2.547 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccc(C#N)cc4C3)CC2)CC1 ZINC000594401447 519941497 /nfs/dbraw/zinc/94/14/97/519941497.db2.gz YTNBVFDQVGDGFP-UHFFFAOYSA-N 1 3 366.509 2.597 20 30 FFEDHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594439864 519966524 /nfs/dbraw/zinc/96/65/24/519966524.db2.gz VOGUGJDTVZBEOB-UXHICEINSA-N 1 3 356.514 2.768 20 30 FFEDHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594439864 519966530 /nfs/dbraw/zinc/96/65/30/519966530.db2.gz VOGUGJDTVZBEOB-UXHICEINSA-N 1 3 356.514 2.768 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000594443098 519968664 /nfs/dbraw/zinc/96/86/64/519968664.db2.gz LIJVJNYEIRRZCS-ACRUOGEOSA-N 1 3 368.525 2.911 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000594443098 519968671 /nfs/dbraw/zinc/96/86/71/519968671.db2.gz LIJVJNYEIRRZCS-ACRUOGEOSA-N 1 3 368.525 2.911 20 30 FFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600716449 520418015 /nfs/dbraw/zinc/41/80/15/520418015.db2.gz LKJUXUWJFNOZJS-HXUWFJFHSA-N 1 3 359.514 2.688 20 30 FFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)CC1(C#N)CCOCC1 ZINC000600716449 520418022 /nfs/dbraw/zinc/41/80/22/520418022.db2.gz LKJUXUWJFNOZJS-HXUWFJFHSA-N 1 3 359.514 2.688 20 30 FFEDHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1 ZINC000600717525 520419440 /nfs/dbraw/zinc/41/94/40/520419440.db2.gz BNPVZPAUKLQUJP-HXUWFJFHSA-N 1 3 353.466 2.539 20 30 FFEDHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1 ZINC000600717525 520419449 /nfs/dbraw/zinc/41/94/49/520419449.db2.gz BNPVZPAUKLQUJP-HXUWFJFHSA-N 1 3 353.466 2.539 20 30 FFEDHO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000600736961 520435055 /nfs/dbraw/zinc/43/50/55/520435055.db2.gz TZDDNHIFVQYSQA-PLACYPQZSA-N 1 3 353.510 2.931 20 30 FFEDHO N#CC1(C[C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)CCOCC1 ZINC000599264419 521117395 /nfs/dbraw/zinc/11/73/95/521117395.db2.gz CERYBKXEISNCCN-HXUWFJFHSA-N 1 3 363.546 2.646 20 30 FFEDHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cccc(C#N)n3)CC2)c1 ZINC000602509711 521386009 /nfs/dbraw/zinc/38/60/09/521386009.db2.gz IPAXRRCKFIJLRG-UHFFFAOYSA-N 1 3 363.509 2.954 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000602563807 521413725 /nfs/dbraw/zinc/41/37/25/521413725.db2.gz OJIZTZGVKJYKKK-GOSISDBHSA-N 1 3 371.525 2.832 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(F)(F)F)c1 ZINC000303880529 729735162 /nfs/dbraw/zinc/73/51/62/729735162.db2.gz HGJYZHOLXPSJLQ-CQSZACIVSA-N 1 3 358.408 2.516 20 30 FFEDHO C[C@@H]1CCCN(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304472585 729736420 /nfs/dbraw/zinc/73/64/20/729736420.db2.gz FMVSCQKSQKJRCC-CYBMUJFWSA-N 1 3 358.408 2.721 20 30 FFEDHO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167962651 964960646 /nfs/dbraw/zinc/96/06/46/964960646.db2.gz ZVTVCVFZCPMHGL-WVVQBRDUSA-N 1 3 367.537 2.887 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167638 968980851 /nfs/dbraw/zinc/98/08/51/968980851.db2.gz WHHUYSYXXJCLCC-HUUCEWRRSA-N 1 3 361.452 2.663 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cccc(C#N)c2)CC3)CC[N@@H+]1C ZINC000990764343 976970222 /nfs/dbraw/zinc/97/02/22/976970222.db2.gz QNXKAOOPQUCGTQ-KREFBHGWSA-N 1 3 366.509 2.512 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2cccc(C#N)c2)CC3)CC[N@H+]1C ZINC000990764343 976970233 /nfs/dbraw/zinc/97/02/33/976970233.db2.gz QNXKAOOPQUCGTQ-KREFBHGWSA-N 1 3 366.509 2.512 20 30 FFEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000969042072 1014759548 /nfs/dbraw/zinc/75/95/48/1014759548.db2.gz GYPXMSDCRUEUTE-VSKRKVRLSA-N 1 3 367.537 2.716 20 30 FFEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000969042072 1014759560 /nfs/dbraw/zinc/75/95/60/1014759560.db2.gz GYPXMSDCRUEUTE-VSKRKVRLSA-N 1 3 367.537 2.716 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)[C@@H]2C)CC1 ZINC001089059613 986139034 /nfs/dbraw/zinc/13/90/34/986139034.db2.gz UEFJKOVCBGNBEL-NQIIRXRSSA-N 1 3 357.542 2.801 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)[C@@H]2C)CC1 ZINC001089059613 986139040 /nfs/dbraw/zinc/13/90/40/986139040.db2.gz UEFJKOVCBGNBEL-NQIIRXRSSA-N 1 3 357.542 2.801 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC(C)CC3)[C@@H]2C)CC1 ZINC001089059638 986139308 /nfs/dbraw/zinc/13/93/08/986139308.db2.gz UYMBHGRULZEMNT-DRDORILISA-N 1 3 359.558 2.737 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC(C)CC3)[C@@H]2C)CC1 ZINC001089059638 986139309 /nfs/dbraw/zinc/13/93/09/986139309.db2.gz UYMBHGRULZEMNT-DRDORILISA-N 1 3 359.558 2.737 20 30 FFEDHO COCCN(CC[C@](C#N)(C(C)=O)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879127073 1015375837 /nfs/dbraw/zinc/37/58/37/1015375837.db2.gz QJZBNPWBTLGGNG-QFIPXVFZSA-N 1 3 371.525 2.717 20 30 FFEDHO C#CCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000915500908 988765703 /nfs/dbraw/zinc/76/57/03/988765703.db2.gz UGNGEPPPHWIMOO-UHFFFAOYSA-N 1 3 360.546 2.570 20 30 FFEDHO C=CCc1ccc(OC[C@@H](O)CN(CC)[C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000923335282 991074130 /nfs/dbraw/zinc/07/41/30/991074130.db2.gz KRZQWCWOZFBNKP-MOPGFXCFSA-N 1 3 362.514 2.627 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@H]2C)CC1 ZINC001080992468 993542589 /nfs/dbraw/zinc/54/25/89/993542589.db2.gz LPSMUVIKRZKDAQ-QIJUGHKUSA-N 1 3 367.537 2.919 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@H]2C)CC1 ZINC001080992468 993542594 /nfs/dbraw/zinc/54/25/94/993542594.db2.gz LPSMUVIKRZKDAQ-QIJUGHKUSA-N 1 3 367.537 2.919 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2)CC1 ZINC001085432760 999517642 /nfs/dbraw/zinc/51/76/42/999517642.db2.gz OWXVAAOIIDSQJX-NHCUHLMSSA-N 1 3 353.510 2.549 20 30 FFEDHO C=CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1OC ZINC000903980367 1016355836 /nfs/dbraw/zinc/35/58/36/1016355836.db2.gz PKPXTAGRGZDNEH-BGYRXZFFSA-N 1 3 371.525 2.661 20 30 FFEDHO C=CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1OC ZINC000903980367 1016355847 /nfs/dbraw/zinc/35/58/47/1016355847.db2.gz PKPXTAGRGZDNEH-BGYRXZFFSA-N 1 3 371.525 2.661 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@H]2c2ccccc2)CC1 ZINC001086625295 1003766802 /nfs/dbraw/zinc/76/68/02/1003766802.db2.gz SMQKQQZKBYQMPX-FCHUYYIVSA-N 1 3 367.537 2.716 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@H]2c2ccccc2)CC1 ZINC001086625295 1003766809 /nfs/dbraw/zinc/76/68/09/1003766809.db2.gz SMQKQQZKBYQMPX-FCHUYYIVSA-N 1 3 367.537 2.716 20 30 FFEDHO C#CCOc1ccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)cc1 ZINC000817414337 1007591965 /nfs/dbraw/zinc/59/19/65/1007591965.db2.gz WRKPCEDSDSIVEH-UHFFFAOYSA-N 1 3 355.526 2.691 20 30 FFEDHO C#CCOc1ccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)cc1 ZINC000817414337 1007591972 /nfs/dbraw/zinc/59/19/72/1007591972.db2.gz WRKPCEDSDSIVEH-UHFFFAOYSA-N 1 3 355.526 2.691 20 30 FFEDHO C#CCN(C)CCCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000818606410 1007967063 /nfs/dbraw/zinc/96/70/63/1007967063.db2.gz SKMNYOQMKSXPIL-IBGZPJMESA-N 1 3 371.525 2.625 20 30 FFEDHO C#CCN(C)CCCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000818606410 1007967065 /nfs/dbraw/zinc/96/70/65/1007967065.db2.gz SKMNYOQMKSXPIL-IBGZPJMESA-N 1 3 371.525 2.625 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](C[C@@H](C)CC)CC3)CC1 ZINC001094581472 1011263111 /nfs/dbraw/zinc/26/31/11/1011263111.db2.gz BSBJSAKTQKKCIE-CZTZKLFOSA-N 1 3 359.558 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@@H](C)CC)CC3)CC1 ZINC001094581472 1011263123 /nfs/dbraw/zinc/26/31/23/1011263123.db2.gz BSBJSAKTQKKCIE-CZTZKLFOSA-N 1 3 359.558 2.739 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC001074017953 1020625839 /nfs/dbraw/zinc/62/58/39/1020625839.db2.gz BETVYDSYRWHGLO-DUXKGJEZSA-N 1 3 368.525 2.711 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CN(C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001074017953 1020625844 /nfs/dbraw/zinc/62/58/44/1020625844.db2.gz BETVYDSYRWHGLO-DUXKGJEZSA-N 1 3 368.525 2.711 20 30 FFEDHO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001102059104 1025375542 /nfs/dbraw/zinc/37/55/42/1025375542.db2.gz AXWKMIAVGGRXDI-FCEUIQTBSA-N 1 3 367.537 2.597 20 30 FFEDHO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001102059104 1025375557 /nfs/dbraw/zinc/37/55/57/1025375557.db2.gz AXWKMIAVGGRXDI-FCEUIQTBSA-N 1 3 367.537 2.597 20 30 FFEDHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524434 1026216511 /nfs/dbraw/zinc/21/65/11/1026216511.db2.gz FHZDXJWRBCKGIX-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001102524434 1026216520 /nfs/dbraw/zinc/21/65/20/1026216520.db2.gz FHZDXJWRBCKGIX-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO CN1CCC(N(c2ncccc2C#C[Si](C)(C)C)C2CC[NH2+]CC2)CC1 ZINC001158581382 1027065743 /nfs/dbraw/zinc/06/57/43/1027065743.db2.gz QIKUSPRXSNSKOP-UHFFFAOYSA-N 1 3 370.617 2.963 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112214230 1030259647 /nfs/dbraw/zinc/25/96/47/1030259647.db2.gz RPZHXBZZRUJOBE-HZPDHXFCSA-N 1 3 361.452 2.808 20 30 FFEDHO CC#CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001205282592 1031649622 /nfs/dbraw/zinc/64/96/22/1031649622.db2.gz DWXNJPNWZXMSNT-VQTJNVASSA-N 1 3 371.500 2.607 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)c(C#N)c3)CC2)CC1 ZINC000830413502 1033603797 /nfs/dbraw/zinc/60/37/97/1033603797.db2.gz UICQNEUSEPWGKR-UHFFFAOYSA-N 1 3 370.497 2.702 20 30 FFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1CCCC ZINC001229615427 1036778229 /nfs/dbraw/zinc/77/82/29/1036778229.db2.gz JYLWJRNZNTVSLE-AQNXPRMDSA-N 1 3 365.562 2.861 20 30 FFEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266512 1037185935 /nfs/dbraw/zinc/18/59/35/1037185935.db2.gz LQOYIWFSHICYBJ-WOJBJXKFSA-N 1 3 359.514 2.581 20 30 FFEDHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3cc(C#N)ccc3Cl)(C1)CCC2 ZINC001278612020 1038789726 /nfs/dbraw/zinc/78/97/26/1038789726.db2.gz XNRXBHHTHCLIRP-UXHICEINSA-N 1 3 374.916 2.824 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224255 1040351812 /nfs/dbraw/zinc/35/18/12/1040351812.db2.gz SVCLMFLWTQFROA-RTBURBONSA-N 1 3 365.562 2.813 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327204 1040453524 /nfs/dbraw/zinc/45/35/24/1040453524.db2.gz BJEMEDRNKFJJTQ-INDMIFKZSA-N 1 3 353.551 2.503 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327204 1040453535 /nfs/dbraw/zinc/45/35/35/1040453535.db2.gz BJEMEDRNKFJJTQ-INDMIFKZSA-N 1 3 353.551 2.503 20 30 FFEDHO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](OC)C1 ZINC001213921703 1041074153 /nfs/dbraw/zinc/07/41/53/1041074153.db2.gz HXAQEFGCKJEVGA-PWIZWCRZSA-N 1 3 359.514 2.532 20 30 FFEDHO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](OC)C1 ZINC001213921703 1041074174 /nfs/dbraw/zinc/07/41/74/1041074174.db2.gz HXAQEFGCKJEVGA-PWIZWCRZSA-N 1 3 359.514 2.532 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1Cc1ccc(C#N)cc1 ZINC001264627547 1042759176 /nfs/dbraw/zinc/75/91/76/1042759176.db2.gz RAPUGQUYOZGPGO-LEWJYISDSA-N 1 3 368.525 2.903 20 30 FFEDHO CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NCc3ccc(C#N)c(Cl)c3)(C1)CCC2 ZINC001279471276 1043154168 /nfs/dbraw/zinc/15/41/68/1043154168.db2.gz XIOOXAYMARRQNR-UXHICEINSA-N 1 3 374.916 2.824 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001312645500 1044149376 /nfs/dbraw/zinc/14/93/76/1044149376.db2.gz IIEZNHIRTRQZSD-UHFFFAOYSA-N 1 3 370.541 2.673 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001291641596 1048776705 /nfs/dbraw/zinc/77/67/05/1048776705.db2.gz PMWDQOJZUZICIA-WOJBJXKFSA-N 1 3 356.514 2.569 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001342156981 1050749394 /nfs/dbraw/zinc/74/93/94/1050749394.db2.gz VQPBIWSLBJRONI-CADBVGFASA-N 1 3 353.551 2.809 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177699 1051802099 /nfs/dbraw/zinc/80/20/99/1051802099.db2.gz GLYHJZBSGYRWMO-YDZRNGNQSA-N 1 3 361.917 2.873 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177699 1051802112 /nfs/dbraw/zinc/80/21/12/1051802112.db2.gz GLYHJZBSGYRWMO-YDZRNGNQSA-N 1 3 361.917 2.873 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001343932777 1052496476 /nfs/dbraw/zinc/49/64/76/1052496476.db2.gz MGGRTRNTJWFOCD-FCGDIQPGSA-N 1 3 353.551 2.952 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2cccc3ccccc32)CC1 ZINC001336786030 1054224883 /nfs/dbraw/zinc/22/48/83/1054224883.db2.gz XYMOOCPLLHLIBL-FQEVSTJZSA-N 1 3 352.478 2.657 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001338692445 1055736234 /nfs/dbraw/zinc/73/62/34/1055736234.db2.gz AUSVRKLGJZNSLC-SFHVURJKSA-N 1 3 372.561 2.728 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001338692445 1055736244 /nfs/dbraw/zinc/73/62/44/1055736244.db2.gz AUSVRKLGJZNSLC-SFHVURJKSA-N 1 3 372.561 2.728 20 30 FFEDHO C=CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@H](c1cccs1)N(C)C ZINC001574925150 1078093550 /nfs/dbraw/zinc/09/35/50/1078093550.db2.gz IUVQMUUPZHGOAO-JKSUJKDBSA-N 1 3 374.558 2.732 20 30 FFEDHO C=CCN1CCC([NH2+]Cc2ccccc2N2CCN(CCC)CC2)CC1 ZINC000088716124 508381553 /nfs/dbraw/zinc/38/15/53/508381553.db2.gz HKGRNIQZJIPEFN-UHFFFAOYSA-N 1 3 356.558 2.959 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106263579 508398667 /nfs/dbraw/zinc/39/86/67/508398667.db2.gz BGELYMFKHZXJBA-ROUUACIJSA-N 1 3 350.551 2.694 20 30 FFEDHO C=CCN1CCC(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000176158839 509354075 /nfs/dbraw/zinc/35/40/75/509354075.db2.gz OESAQMSMFOGWPJ-UHFFFAOYSA-N 1 3 370.541 2.943 20 30 FFEDHO C=CCN1CCC(NC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000172501519 510758262 /nfs/dbraw/zinc/75/82/62/510758262.db2.gz GYOSFGGQGBRNAA-UHFFFAOYSA-N 1 3 360.502 2.707 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000279519374 511113790 /nfs/dbraw/zinc/11/37/90/511113790.db2.gz LQKFHQJHJSWAHP-LJQANCHMSA-N 1 3 350.466 2.717 20 30 FFEDHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279608376 511144592 /nfs/dbraw/zinc/14/45/92/511144592.db2.gz SWVKJKCFCFUPNR-LJQANCHMSA-N 1 3 352.482 2.963 20 30 FFEDHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279608376 511144599 /nfs/dbraw/zinc/14/45/99/511144599.db2.gz SWVKJKCFCFUPNR-LJQANCHMSA-N 1 3 352.482 2.963 20 30 FFEDHO C#Cc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000290565025 511146138 /nfs/dbraw/zinc/14/61/38/511146138.db2.gz ZXJCDMUQXOAWII-JOCHJYFZSA-N 1 3 361.489 2.655 20 30 FFEDHO C#Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000290565025 511146142 /nfs/dbraw/zinc/14/61/42/511146142.db2.gz ZXJCDMUQXOAWII-JOCHJYFZSA-N 1 3 361.489 2.655 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000280302864 511413790 /nfs/dbraw/zinc/41/37/90/511413790.db2.gz HJANBIVXYPLFTP-IBGZPJMESA-N 1 3 350.466 2.717 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000280302864 511413794 /nfs/dbraw/zinc/41/37/94/511413794.db2.gz HJANBIVXYPLFTP-IBGZPJMESA-N 1 3 350.466 2.717 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000470969322 514697234 /nfs/dbraw/zinc/69/72/34/514697234.db2.gz SZOKVIIXNCEZKU-PMACEKPBSA-N 1 3 350.466 2.621 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000470969322 514697246 /nfs/dbraw/zinc/69/72/46/514697246.db2.gz SZOKVIIXNCEZKU-PMACEKPBSA-N 1 3 350.466 2.621 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)C(C)C ZINC000474303667 515982169 /nfs/dbraw/zinc/98/21/69/515982169.db2.gz PYRFOERSVUZIOC-OAQYLSRUSA-N 1 3 355.526 2.803 20 30 FFEDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(OCCCC#N)c1 ZINC000583111265 519080081 /nfs/dbraw/zinc/08/00/81/519080081.db2.gz OCXGHXWHHPDDPJ-UHFFFAOYSA-N 1 3 358.530 2.827 20 30 FFEDHO C[N@@H+]1C[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000592882488 520632596 /nfs/dbraw/zinc/63/25/96/520632596.db2.gz USJVDSFEDPNLSQ-BDTNDASRSA-N 1 3 372.472 2.702 20 30 FFEDHO C[N@H+]1C[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000592882488 520632606 /nfs/dbraw/zinc/63/26/06/520632606.db2.gz USJVDSFEDPNLSQ-BDTNDASRSA-N 1 3 372.472 2.702 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000606641467 521120723 /nfs/dbraw/zinc/12/07/23/521120723.db2.gz BAWXMFKBSKLVFU-HKUYNNGSSA-N 1 3 350.551 2.715 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)C(C)C ZINC000624614132 522822864 /nfs/dbraw/zinc/82/28/64/522822864.db2.gz KQPTZDRPEJEXQN-RTBURBONSA-N 1 3 350.551 2.716 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624614132 522822872 /nfs/dbraw/zinc/82/28/72/522822872.db2.gz KQPTZDRPEJEXQN-RTBURBONSA-N 1 3 350.551 2.716 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1OC(F)(F)F ZINC000305030064 729737709 /nfs/dbraw/zinc/73/77/09/729737709.db2.gz QPGZXOUUTBRCTN-CQSZACIVSA-N 1 3 358.408 2.516 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000876770877 732279127 /nfs/dbraw/zinc/27/91/27/732279127.db2.gz RKQHFTLNSNEWDV-GOSISDBHSA-N 1 3 364.921 2.873 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000876777432 732279864 /nfs/dbraw/zinc/27/98/64/732279864.db2.gz MTYRNHIQEXBLEI-GUYCJALGSA-N 1 3 351.878 2.816 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000876777432 732279868 /nfs/dbraw/zinc/27/98/68/732279868.db2.gz MTYRNHIQEXBLEI-GUYCJALGSA-N 1 3 351.878 2.816 20 30 FFEDHO C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001039133234 742988040 /nfs/dbraw/zinc/98/80/40/742988040.db2.gz RNTNELQSMRTYKM-KBAYOESNSA-N 1 3 353.938 2.640 20 30 FFEDHO C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039133234 742988045 /nfs/dbraw/zinc/98/80/45/742988045.db2.gz RNTNELQSMRTYKM-KBAYOESNSA-N 1 3 353.938 2.640 20 30 FFEDHO N#CC1(NC(=O)c2ccn3c[nH+]cc3c2)CCN(Cc2ccccc2)CC1 ZINC001151908998 1032060189 /nfs/dbraw/zinc/06/01/89/1032060189.db2.gz JFOMXBSZAMAOSZ-UHFFFAOYSA-N 1 3 359.433 2.622 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104376702 964661871 /nfs/dbraw/zinc/66/18/71/964661871.db2.gz PPLKZBQVMAFYNW-KBAYOESNSA-N 1 3 355.954 2.934 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104376702 964661880 /nfs/dbraw/zinc/66/18/80/964661880.db2.gz PPLKZBQVMAFYNW-KBAYOESNSA-N 1 3 355.954 2.934 20 30 FFEDHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087212933 966585880 /nfs/dbraw/zinc/58/58/80/966585880.db2.gz WZXQWKCCHWRUMN-LQWHRVPQSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000303983293 974173641 /nfs/dbraw/zinc/17/36/41/974173641.db2.gz RAJJLFOPSDTCOV-APWZRJJASA-N 1 3 373.545 2.869 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cccc(C#N)c2)CC3)CC[N@@H+]1C ZINC000990764349 976970650 /nfs/dbraw/zinc/97/06/50/976970650.db2.gz QNXKAOOPQUCGTQ-ZEFBCVDJSA-N 1 3 366.509 2.512 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2cccc(C#N)c2)CC3)CC[N@H+]1C ZINC000990764349 976970662 /nfs/dbraw/zinc/97/06/62/976970662.db2.gz QNXKAOOPQUCGTQ-ZEFBCVDJSA-N 1 3 366.509 2.512 20 30 FFEDHO C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001087453390 977760886 /nfs/dbraw/zinc/76/08/86/977760886.db2.gz QIWLFWKWZGZQPU-AQNXPRMDSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001087453390 977760889 /nfs/dbraw/zinc/76/08/89/977760889.db2.gz QIWLFWKWZGZQPU-AQNXPRMDSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001087453390 977760898 /nfs/dbraw/zinc/76/08/98/977760898.db2.gz QIWLFWKWZGZQPU-AQNXPRMDSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087453390 977760902 /nfs/dbraw/zinc/76/09/02/977760902.db2.gz QIWLFWKWZGZQPU-AQNXPRMDSA-N 1 3 359.489 2.770 20 30 FFEDHO C=C(C)CN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087453390 977760907 /nfs/dbraw/zinc/76/09/07/977760907.db2.gz QIWLFWKWZGZQPU-AQNXPRMDSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001076605483 979708869 /nfs/dbraw/zinc/70/88/69/979708869.db2.gz CEHCXWBCTWUJRP-BVYCBKJFSA-N 1 3 365.521 2.626 20 30 FFEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001076605483 979708871 /nfs/dbraw/zinc/70/88/71/979708871.db2.gz CEHCXWBCTWUJRP-BVYCBKJFSA-N 1 3 365.521 2.626 20 30 FFEDHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C#N)cc1)CC2)N(C)C ZINC001107450782 984555254 /nfs/dbraw/zinc/55/52/54/984555254.db2.gz MQWGVMCEQZYUGT-KCZVDYSFSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(C#N)cc1)CC2)N(C)C ZINC001107450782 984555256 /nfs/dbraw/zinc/55/52/56/984555256.db2.gz MQWGVMCEQZYUGT-KCZVDYSFSA-N 1 3 368.525 2.759 20 30 FFEDHO C#CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000918496276 990410728 /nfs/dbraw/zinc/41/07/28/990410728.db2.gz GSRXMMWURLMAAM-SFHVURJKSA-N 1 3 370.541 2.855 20 30 FFEDHO C#CCN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCN(C)CC1 ZINC000921220664 991011401 /nfs/dbraw/zinc/01/14/01/991011401.db2.gz KYFNCQYMOZBPBP-UHFFFAOYSA-N 1 3 360.546 2.523 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@H]2C)CC1 ZINC001080998123 993549158 /nfs/dbraw/zinc/54/91/58/993549158.db2.gz TWGRVEFGOBKWKZ-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@H]2C)CC1 ZINC001080998123 993549161 /nfs/dbraw/zinc/54/91/61/993549161.db2.gz TWGRVEFGOBKWKZ-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001131522783 994364874 /nfs/dbraw/zinc/36/48/74/994364874.db2.gz ZGGHUFLOINGQGK-MOPGFXCFSA-N 1 3 365.562 2.669 20 30 FFEDHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082511917 994760062 /nfs/dbraw/zinc/76/00/62/994760062.db2.gz YMIYHFDFIYFARN-YLJYHZDGSA-N 1 3 368.525 2.759 20 30 FFEDHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082782736 995489563 /nfs/dbraw/zinc/48/95/63/995489563.db2.gz NUZMNXGPYXUMFX-UIFIKXQLSA-N 1 3 368.525 2.758 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(F)c2)CC1 ZINC001085432806 999517563 /nfs/dbraw/zinc/51/75/63/999517563.db2.gz QPQOBXWFRYBLMK-NHCUHLMSSA-N 1 3 371.500 2.688 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccsc2)CC1 ZINC001085432910 999517842 /nfs/dbraw/zinc/51/78/42/999517842.db2.gz VYGAWLXFRNIZRP-RTBURBONSA-N 1 3 359.539 2.610 20 30 FFEDHO C#CCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357343 1005810698 /nfs/dbraw/zinc/81/06/98/1005810698.db2.gz GKNZGKCVNVXAAQ-OAQYLSRUSA-N 1 3 350.462 2.555 20 30 FFEDHO C#CCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000850357343 1005810702 /nfs/dbraw/zinc/81/07/02/1005810702.db2.gz GKNZGKCVNVXAAQ-OAQYLSRUSA-N 1 3 350.462 2.555 20 30 FFEDHO CCCN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000852860616 1006211092 /nfs/dbraw/zinc/21/10/92/1006211092.db2.gz SXGDUNRTXJIOTB-QFIPXVFZSA-N 1 3 367.537 2.893 20 30 FFEDHO N#CC(Cc1cccs1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001177917945 1008788780 /nfs/dbraw/zinc/78/87/80/1008788780.db2.gz NMWHUYNJJSPEHI-SFHVURJKSA-N 1 3 368.506 2.854 20 30 FFEDHO Cc1nc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)[nH]c1C ZINC000886664236 1008802668 /nfs/dbraw/zinc/80/26/68/1008802668.db2.gz GUPIUUPVLCLQED-LJQANCHMSA-N 1 3 363.465 2.883 20 30 FFEDHO C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001274432468 1011438617 /nfs/dbraw/zinc/43/86/17/1011438617.db2.gz BYARTECMAUGSMH-UHFFFAOYSA-N 1 3 373.463 2.905 20 30 FFEDHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCN2CCCCC2)C[C@H]1C#N ZINC001172975829 1012144511 /nfs/dbraw/zinc/14/45/11/1012144511.db2.gz KCOXWONCFXARDQ-IRXDYDNUSA-N 1 3 350.507 2.744 20 30 FFEDHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172982025 1012151390 /nfs/dbraw/zinc/15/13/90/1012151390.db2.gz RGODPFUKCAZYEG-VQHPVUNQSA-N 1 3 350.507 2.740 20 30 FFEDHO C[NH+](C)CCN1CCC2(CCN(Cc3cccc(C#N)c3Cl)CC2)C1=O ZINC001275307688 1012257543 /nfs/dbraw/zinc/25/75/43/1012257543.db2.gz HHUQVAHHZQFXBS-UHFFFAOYSA-N 1 3 374.916 2.588 20 30 FFEDHO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H](C)CN1CCN(C)CC1 ZINC000303906274 1012516936 /nfs/dbraw/zinc/51/69/36/1012516936.db2.gz ZVOQYFVABVOLDQ-HXUWFJFHSA-N 1 3 373.589 2.714 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCCC2)c1 ZINC000303972760 1012546936 /nfs/dbraw/zinc/54/69/36/1012546936.db2.gz GELQCZLNUQVOCN-QGZVFWFLSA-N 1 3 359.518 2.682 20 30 FFEDHO CC1CCN(CCC[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173422377 1012568282 /nfs/dbraw/zinc/56/82/82/1012568282.db2.gz NYCSYWAITGHGOZ-UHFFFAOYSA-N 1 3 368.525 2.874 20 30 FFEDHO C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001071105238 1020218014 /nfs/dbraw/zinc/21/80/14/1020218014.db2.gz LBVADFCDSDYTPQ-RTWAWAEBSA-N 1 3 371.525 2.534 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2CCCCC2)C3)CC1 ZINC001099174529 1022002096 /nfs/dbraw/zinc/00/20/96/1022002096.db2.gz RMKVNMHGRSMRAE-GMAHTHKFSA-N 1 3 371.569 2.883 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2CCCCC2)C3)CC1 ZINC001099174529 1022002113 /nfs/dbraw/zinc/00/21/13/1022002113.db2.gz RMKVNMHGRSMRAE-GMAHTHKFSA-N 1 3 371.569 2.883 20 30 FFEDHO N#Cc1c(NC(=O)[C@@H]([NH3+])CCCc2ccccc2)sc2c1CCNC2 ZINC001218554622 1033219087 /nfs/dbraw/zinc/21/90/87/1033219087.db2.gz VIYHUYCXGSFTOU-INIZCTEOSA-N 1 3 354.479 2.554 20 30 FFEDHO Cc1nc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)c(C#N)c(C)c1Cl ZINC001158575687 1027064657 /nfs/dbraw/zinc/06/46/57/1027064657.db2.gz RHWIUNJQFDQBCV-UHFFFAOYSA-N 1 3 361.921 2.876 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001103359013 1027301082 /nfs/dbraw/zinc/30/10/82/1027301082.db2.gz CWXDYIPFPFXADB-KBAYOESNSA-N 1 3 355.954 2.935 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359013 1027301103 /nfs/dbraw/zinc/30/11/03/1027301103.db2.gz CWXDYIPFPFXADB-KBAYOESNSA-N 1 3 355.954 2.935 20 30 FFEDHO Cc1nc(C#N)cnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159467020 1027400064 /nfs/dbraw/zinc/40/00/64/1027400064.db2.gz KWAJVIYMPXCIIR-UHFFFAOYSA-N 1 3 360.465 2.566 20 30 FFEDHO C=C(C)CN(CC)C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001160689592 1027805953 /nfs/dbraw/zinc/80/59/53/1027805953.db2.gz PGRIWBCAXLPBMS-IFMALSPDSA-N 1 3 355.526 2.913 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757347 1028147724 /nfs/dbraw/zinc/14/77/24/1028147724.db2.gz WXWVRPCEOMIFDL-NXHRZFHOSA-N 1 3 355.954 2.934 20 30 FFEDHO C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001112002386 1029850020 /nfs/dbraw/zinc/85/00/20/1029850020.db2.gz DPOALPSHWJKXLT-UNMCSNQZSA-N 1 3 371.525 2.535 20 30 FFEDHO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001112002386 1029850026 /nfs/dbraw/zinc/85/00/26/1029850026.db2.gz DPOALPSHWJKXLT-UNMCSNQZSA-N 1 3 371.525 2.535 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1c1ccccc1F ZINC001205619870 1031878082 /nfs/dbraw/zinc/87/80/82/1031878082.db2.gz KMFRJQYGLIAAOU-QXAKKESOSA-N 1 3 365.468 2.576 20 30 FFEDHO CN(C)CCN1c2ccccc2C2(CC[NH+](CCCCC#N)CC2)C1=O ZINC001276956091 1033772656 /nfs/dbraw/zinc/77/26/56/1033772656.db2.gz NPZNYFGZZYYQQP-UHFFFAOYSA-N 1 3 354.498 2.622 20 30 FFEDHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cccc(C#N)n1)CC2 ZINC001232924131 1036160674 /nfs/dbraw/zinc/16/06/74/1036160674.db2.gz QVXPAMKROQDNKH-LJQANCHMSA-N 1 3 366.465 2.802 20 30 FFEDHO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cccc(C#N)n1)CC2 ZINC001232924131 1036160685 /nfs/dbraw/zinc/16/06/85/1036160685.db2.gz QVXPAMKROQDNKH-LJQANCHMSA-N 1 3 366.465 2.802 20 30 FFEDHO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cccc(C#N)n1)CC2 ZINC001232924131 1036160692 /nfs/dbraw/zinc/16/06/92/1036160692.db2.gz QVXPAMKROQDNKH-LJQANCHMSA-N 1 3 366.465 2.802 20 30 FFEDHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001229860650 1036944042 /nfs/dbraw/zinc/94/40/42/1036944042.db2.gz XXDPRKQVCDTAJW-WOJBJXKFSA-N 1 3 359.489 2.536 20 30 FFEDHO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001277611695 1038191990 /nfs/dbraw/zinc/19/19/90/1038191990.db2.gz LMLBTBPOIJDVKR-NRFANRHFSA-N 1 3 359.489 2.888 20 30 FFEDHO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001277611695 1038191993 /nfs/dbraw/zinc/19/19/93/1038191993.db2.gz LMLBTBPOIJDVKR-NRFANRHFSA-N 1 3 359.489 2.888 20 30 FFEDHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001255954365 1038270349 /nfs/dbraw/zinc/27/03/49/1038270349.db2.gz VKKVBJRRLPBEAU-QGZVFWFLSA-N 1 3 356.514 2.873 20 30 FFEDHO C[C@@H]1C[C@@H](N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC[NH2+]1 ZINC001246764430 1039472220 /nfs/dbraw/zinc/47/22/20/1039472220.db2.gz KGIWOFSFVQQMFV-COPCDDAFSA-N 1 3 368.525 2.618 20 30 FFEDHO C#CCN(C(=O)NCCC[N@@H+](CC)C1CCCCC1)C1CCN(C)CC1 ZINC001252695694 1039650904 /nfs/dbraw/zinc/65/09/04/1039650904.db2.gz FVIDEGSLEOOVIT-UHFFFAOYSA-N 1 3 362.562 2.770 20 30 FFEDHO C#CCN(C(=O)NCCC[N@H+](CC)C1CCCCC1)C1CCN(C)CC1 ZINC001252695694 1039650913 /nfs/dbraw/zinc/65/09/13/1039650913.db2.gz FVIDEGSLEOOVIT-UHFFFAOYSA-N 1 3 362.562 2.770 20 30 FFEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001263101253 1042104614 /nfs/dbraw/zinc/10/46/14/1042104614.db2.gz NBDFWOHNZAJZTD-SFHVURJKSA-N 1 3 373.501 2.524 20 30 FFEDHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001279227020 1042954166 /nfs/dbraw/zinc/95/41/66/1042954166.db2.gz SIXGVUHXBQGQBS-OAQYLSRUSA-N 1 3 358.505 2.937 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475507 1043158342 /nfs/dbraw/zinc/15/83/42/1043158342.db2.gz ZHWQHOULSQHQHB-ZVDOUQERSA-N 1 3 356.514 2.610 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]3CC2)cc1C#N ZINC001279475507 1043158345 /nfs/dbraw/zinc/15/83/45/1043158345.db2.gz ZHWQHOULSQHQHB-ZVDOUQERSA-N 1 3 356.514 2.610 20 30 FFEDHO C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(C#N)cc3[O-])CC2)C1 ZINC001279497641 1043187463 /nfs/dbraw/zinc/18/74/63/1043187463.db2.gz IZEWOUUIPOJGFG-UHFFFAOYSA-N 1 3 356.514 2.503 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cc1 ZINC001334080900 1049237746 /nfs/dbraw/zinc/23/77/46/1049237746.db2.gz CAPZPEQAUVGCAT-NQIIRXRSSA-N 1 3 371.525 2.723 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC001334080900 1049237758 /nfs/dbraw/zinc/23/77/58/1049237758.db2.gz CAPZPEQAUVGCAT-NQIIRXRSSA-N 1 3 371.525 2.723 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001565884987 1076778994 /nfs/dbraw/zinc/77/89/94/1076778994.db2.gz IGJZNLSSKCKIRJ-FCHUYYIVSA-N 1 3 367.537 2.860 20 30 FFEDHO C[C@H]1CN(CC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)C[C@H](C)O1 ZINC000369204024 512281206 /nfs/dbraw/zinc/28/12/06/512281206.db2.gz NDOPNQLGMRZLEL-OALUTQOASA-N 1 3 363.546 2.908 20 30 FFEDHO N#Cc1ccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000048563507 507537337 /nfs/dbraw/zinc/53/73/37/507537337.db2.gz DUEIVCSXWLYAHN-NRFANRHFSA-N 1 3 371.525 2.886 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080121096 508040614 /nfs/dbraw/zinc/04/06/14/508040614.db2.gz UBVADNDZQONDHG-GHTZIAJQSA-N 1 3 370.541 2.989 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080121096 508040616 /nfs/dbraw/zinc/04/06/16/508040616.db2.gz UBVADNDZQONDHG-GHTZIAJQSA-N 1 3 370.541 2.989 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)C(C)C ZINC000182359846 509194868 /nfs/dbraw/zinc/19/48/68/509194868.db2.gz YBNWAIGLDJQNIY-SLFFLAALSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)C(C)C ZINC000182359846 509194877 /nfs/dbraw/zinc/19/48/77/509194877.db2.gz YBNWAIGLDJQNIY-SLFFLAALSA-N 1 3 362.562 2.811 20 30 FFEDHO COc1ccc(NC(=[NH2+])NCc2cccc(OCCN(C)C)c2)cc1OC ZINC000264100226 509330408 /nfs/dbraw/zinc/33/04/08/509330408.db2.gz MOXGQPRDKMQGSN-UHFFFAOYSA-N 1 3 372.469 2.571 20 30 FFEDHO C=CCN1CCC(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000173197243 509451121 /nfs/dbraw/zinc/45/11/21/509451121.db2.gz IKHGPRGWPGLKMP-HXUWFJFHSA-N 1 3 370.541 2.800 20 30 FFEDHO C=CCN1CCC(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000173197243 509451128 /nfs/dbraw/zinc/45/11/28/509451128.db2.gz IKHGPRGWPGLKMP-HXUWFJFHSA-N 1 3 370.541 2.800 20 30 FFEDHO N#C[C@@H]1CCC[C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000248866317 509517999 /nfs/dbraw/zinc/51/79/99/509517999.db2.gz QDHPXDNABPLHJX-NSISKUIASA-N 1 3 354.498 2.556 20 30 FFEDHO N#C[C@@H]1CCC[C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000248866317 509518008 /nfs/dbraw/zinc/51/80/08/509518008.db2.gz QDHPXDNABPLHJX-NSISKUIASA-N 1 3 354.498 2.556 20 30 FFEDHO COc1ccc(NC(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000190538249 510190935 /nfs/dbraw/zinc/19/09/35/510190935.db2.gz XSBOQYSOUMVGOY-HXUWFJFHSA-N 1 3 368.481 2.713 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)CC1 ZINC000171707906 510321504 /nfs/dbraw/zinc/32/15/04/510321504.db2.gz GXMWJRIEWVYBJW-LJQANCHMSA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000171709537 510322526 /nfs/dbraw/zinc/32/25/26/510322526.db2.gz BOTFWXRPPKVENR-UHFFFAOYSA-N 1 3 358.530 2.976 20 30 FFEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000171709537 510322533 /nfs/dbraw/zinc/32/25/33/510322533.db2.gz BOTFWXRPPKVENR-UHFFFAOYSA-N 1 3 358.530 2.976 20 30 FFEDHO N#Cc1ccc(CN2CCC([NH2+]C3CCN(CC4CC4)CC3)CC2)cc1 ZINC000181535432 510459472 /nfs/dbraw/zinc/45/94/72/510459472.db2.gz IQMCOGSVNZDRFZ-UHFFFAOYSA-N 1 3 352.526 2.987 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000287342524 511047276 /nfs/dbraw/zinc/04/72/76/511047276.db2.gz IRYIYKYOYPLABI-LJQANCHMSA-N 1 3 362.493 2.768 20 30 FFEDHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279432962 511081288 /nfs/dbraw/zinc/08/12/88/511081288.db2.gz DQTYERSZSAXBON-LPHOPBHVSA-N 1 3 352.482 2.867 20 30 FFEDHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279432962 511081291 /nfs/dbraw/zinc/08/12/91/511081291.db2.gz DQTYERSZSAXBON-LPHOPBHVSA-N 1 3 352.482 2.867 20 30 FFEDHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280762211 511592637 /nfs/dbraw/zinc/59/26/37/511592637.db2.gz ISFXQXLGSUXDFF-YLJYHZDGSA-N 1 3 352.482 2.869 20 30 FFEDHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280762211 511592643 /nfs/dbraw/zinc/59/26/43/511592643.db2.gz ISFXQXLGSUXDFF-YLJYHZDGSA-N 1 3 352.482 2.869 20 30 FFEDHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000329087732 511980985 /nfs/dbraw/zinc/98/09/85/511980985.db2.gz HMKCIQMHVSQFPN-GOSISDBHSA-N 1 3 369.513 2.942 20 30 FFEDHO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000329713457 512088917 /nfs/dbraw/zinc/08/89/17/512088917.db2.gz RNCSDPQEFCPHEP-RKTXRCNFSA-N 1 3 351.470 2.539 20 30 FFEDHO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000329713457 512088920 /nfs/dbraw/zinc/08/89/20/512088920.db2.gz RNCSDPQEFCPHEP-RKTXRCNFSA-N 1 3 351.470 2.539 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371596698 512485880 /nfs/dbraw/zinc/48/58/80/512485880.db2.gz JKGYRAJLUCGDJK-HXUWFJFHSA-N 1 3 370.541 2.848 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371596698 512485883 /nfs/dbraw/zinc/48/58/83/512485883.db2.gz JKGYRAJLUCGDJK-HXUWFJFHSA-N 1 3 370.541 2.848 20 30 FFEDHO N#CCCC[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000424179686 514408247 /nfs/dbraw/zinc/40/82/47/514408247.db2.gz ZMZZZPCTQGEDBM-LJQANCHMSA-N 1 3 354.498 2.522 20 30 FFEDHO N#CCCC[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000424179686 514408253 /nfs/dbraw/zinc/40/82/53/514408253.db2.gz ZMZZZPCTQGEDBM-LJQANCHMSA-N 1 3 354.498 2.522 20 30 FFEDHO C=C(CC)CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453374809 514614794 /nfs/dbraw/zinc/61/47/94/514614794.db2.gz UFLCWLDWHGEPPE-MRXNPFEDSA-N 1 3 353.532 2.533 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000465667831 516223557 /nfs/dbraw/zinc/22/35/57/516223557.db2.gz RPBPKOLYOBHLTM-PXNSSMCTSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000465667831 516223563 /nfs/dbraw/zinc/22/35/63/516223563.db2.gz RPBPKOLYOBHLTM-PXNSSMCTSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000558501832 516779959 /nfs/dbraw/zinc/77/99/59/516779959.db2.gz PPRNWKLRUZVZNS-KRWDZBQOSA-N 1 3 361.465 2.577 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000558501832 516779964 /nfs/dbraw/zinc/77/99/64/516779964.db2.gz PPRNWKLRUZVZNS-KRWDZBQOSA-N 1 3 361.465 2.577 20 30 FFEDHO C=CCc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc(OC)c1O ZINC000574139342 519007313 /nfs/dbraw/zinc/00/73/13/519007313.db2.gz DJPLSSVIUAQYCZ-MOPGFXCFSA-N 1 3 360.498 2.848 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(CCC#N)CC3)CC2)CC1 ZINC000572256507 519524153 /nfs/dbraw/zinc/52/41/53/519524153.db2.gz OBDWEZHJVAPONF-UHFFFAOYSA-N 1 3 360.546 2.725 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)CC2)nc1 ZINC000591570721 519954076 /nfs/dbraw/zinc/95/40/76/519954076.db2.gz FOMPYWBXWIBASP-VAMGGRTRSA-N 1 3 353.514 2.822 20 30 FFEDHO Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1OCC[NH+]1CCCC1 ZINC000594439187 519965591 /nfs/dbraw/zinc/96/55/91/519965591.db2.gz TVPOWRMBYILVLF-GOSISDBHSA-N 1 3 358.486 2.819 20 30 FFEDHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600717143 520418680 /nfs/dbraw/zinc/41/86/80/520418680.db2.gz OCHCMFJENJGUBB-OAQYLSRUSA-N 1 3 367.493 2.928 20 30 FFEDHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600717143 520418690 /nfs/dbraw/zinc/41/86/90/520418690.db2.gz OCHCMFJENJGUBB-OAQYLSRUSA-N 1 3 367.493 2.928 20 30 FFEDHO C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000614178410 520837504 /nfs/dbraw/zinc/83/75/04/520837504.db2.gz AOCIEMOXONBSAT-GHTZIAJQSA-N 1 3 354.542 2.946 20 30 FFEDHO CCOCCCNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304753383 729737089 /nfs/dbraw/zinc/73/70/89/729737089.db2.gz LBJVITUZXUYEBY-UHFFFAOYSA-N 1 3 366.937 2.883 20 30 FFEDHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1 ZINC001104362821 964085439 /nfs/dbraw/zinc/08/54/39/964085439.db2.gz LOLNURZOGOXPBO-YLJYHZDGSA-N 1 3 370.541 2.863 20 30 FFEDHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNCc2ccccc2C#N)C1 ZINC001104362821 964085455 /nfs/dbraw/zinc/08/54/55/964085455.db2.gz LOLNURZOGOXPBO-YLJYHZDGSA-N 1 3 370.541 2.863 20 30 FFEDHO [NH2+]=C(NC[C@H]1Cc2ccccc2O1)NC1CCN(Cc2ccccc2)CC1 ZINC000261983302 965132130 /nfs/dbraw/zinc/13/21/30/965132130.db2.gz IZHPJQPDRFDLGT-HXUWFJFHSA-N 1 3 364.493 2.559 20 30 FFEDHO C[NH+]=C(NCC1(N(C)C)CCCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262014105 965315157 /nfs/dbraw/zinc/31/51/57/965315157.db2.gz XIWGVNUNGXWEPI-ZWKOTPCHSA-N 1 3 360.550 2.606 20 30 FFEDHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087212934 966581500 /nfs/dbraw/zinc/58/15/00/966581500.db2.gz WZXQWKCCHWRUMN-OPYAIIAOSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753781 970678030 /nfs/dbraw/zinc/67/80/30/970678030.db2.gz SKKQOWPLJBVOFV-VAMGGRTRSA-N 1 3 365.562 2.526 20 30 FFEDHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001107614702 984823193 /nfs/dbraw/zinc/82/31/93/984823193.db2.gz JDZUZNHMYLNIRC-IFMALSPDSA-N 1 3 368.525 2.761 20 30 FFEDHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC001107614702 984823221 /nfs/dbraw/zinc/82/32/21/984823221.db2.gz JDZUZNHMYLNIRC-IFMALSPDSA-N 1 3 368.525 2.761 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOCc2ccccc2)CC1 ZINC000184647613 992906391 /nfs/dbraw/zinc/90/63/91/992906391.db2.gz BDNFAEQEGNPCBW-LJQANCHMSA-N 1 3 358.530 2.762 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC(C)C)c1ccccc1OC ZINC000184649305 992908154 /nfs/dbraw/zinc/90/81/54/992908154.db2.gz GAOZMSAVSLEBFE-LPHOPBHVSA-N 1 3 362.518 2.550 20 30 FFEDHO C(#CC[N@@H+]1CC[C@H](Cc2ccncc2)C1)CN1CC[C@H](Cc2ccncc2)C1 ZINC000671243204 993226830 /nfs/dbraw/zinc/22/68/30/993226830.db2.gz UEZAOSOJKOUTHN-DNQXCXABSA-N 1 3 374.532 2.909 20 30 FFEDHO C(#CC[N@H+]1CC[C@H](Cc2ccncc2)C1)CN1CC[C@H](Cc2ccncc2)C1 ZINC000671243204 993226835 /nfs/dbraw/zinc/22/68/35/993226835.db2.gz UEZAOSOJKOUTHN-DNQXCXABSA-N 1 3 374.532 2.909 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2=CCCCC2)CC1 ZINC001096608454 1016347716 /nfs/dbraw/zinc/34/77/16/1016347716.db2.gz XDTJFKPMYNLSCR-FSSWDIPSSA-N 1 3 369.553 2.944 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2=CCCCC2)CC1 ZINC001096608454 1016347726 /nfs/dbraw/zinc/34/77/26/1016347726.db2.gz XDTJFKPMYNLSCR-FSSWDIPSSA-N 1 3 369.553 2.944 20 30 FFEDHO C[N@@H+]1CCC[C@H](CCNc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001156385366 1000080966 /nfs/dbraw/zinc/08/09/66/1000080966.db2.gz DVPFPLVKZNVOOK-CABCVRRESA-N 1 3 359.474 2.569 20 30 FFEDHO C[N@H+]1CCC[C@H](CCNc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001156385366 1000080969 /nfs/dbraw/zinc/08/09/69/1000080969.db2.gz DVPFPLVKZNVOOK-CABCVRRESA-N 1 3 359.474 2.569 20 30 FFEDHO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013688 1002287841 /nfs/dbraw/zinc/28/78/41/1002287841.db2.gz WSPGNJZGLGIFQY-QMMLZNLJSA-N 1 3 365.537 2.945 20 30 FFEDHO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013688 1002287848 /nfs/dbraw/zinc/28/78/48/1002287848.db2.gz WSPGNJZGLGIFQY-QMMLZNLJSA-N 1 3 365.537 2.945 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604840 1003215508 /nfs/dbraw/zinc/21/55/08/1003215508.db2.gz PPSDLXDVLCCANG-UIFIKXQLSA-N 1 3 368.525 2.615 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092604840 1003215519 /nfs/dbraw/zinc/21/55/19/1003215519.db2.gz PPSDLXDVLCCANG-UIFIKXQLSA-N 1 3 368.525 2.615 20 30 FFEDHO CCN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000852861746 1006211326 /nfs/dbraw/zinc/21/13/26/1006211326.db2.gz IIMYUIAHCPUQMM-GHTZIAJQSA-N 1 3 353.510 2.673 20 30 FFEDHO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000131187955 1006693562 /nfs/dbraw/zinc/69/35/62/1006693562.db2.gz LZPLUKRDHLNIRR-UHFFFAOYSA-N 1 3 364.497 2.891 20 30 FFEDHO N#CC(Cc1cccs1)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001177911382 1008782916 /nfs/dbraw/zinc/78/29/16/1008782916.db2.gz FHQWHUCEDPNAFE-CYBMUJFWSA-N 1 3 358.442 2.750 20 30 FFEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001110858821 1011248164 /nfs/dbraw/zinc/24/81/64/1011248164.db2.gz SCDCEOKJDMCZCI-AQNXPRMDSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110858821 1011248176 /nfs/dbraw/zinc/24/81/76/1011248176.db2.gz SCDCEOKJDMCZCI-AQNXPRMDSA-N 1 3 363.546 2.565 20 30 FFEDHO CCOc1cc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)ccc1OC(F)F ZINC000303872190 1012475604 /nfs/dbraw/zinc/47/56/04/1012475604.db2.gz BWIAAPKNOVEBJM-AWEZNQCLSA-N 1 3 370.444 2.575 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@@H]1CCCc2ccccc21 ZINC000304761332 1012871884 /nfs/dbraw/zinc/87/18/84/1012871884.db2.gz UHGJBSKKMPRMLX-UYAOXDASSA-N 1 3 358.530 2.859 20 30 FFEDHO C[C@H](NCc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000925816127 1017858186 /nfs/dbraw/zinc/85/81/86/1017858186.db2.gz FZYHHFVBTXNVGG-INIZCTEOSA-N 1 3 352.457 2.953 20 30 FFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044288 1020123024 /nfs/dbraw/zinc/12/30/24/1020123024.db2.gz JBAAKZXFGOOTES-MJCUULBUSA-N 1 3 353.510 2.629 20 30 FFEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044288 1020123030 /nfs/dbraw/zinc/12/30/30/1020123030.db2.gz JBAAKZXFGOOTES-MJCUULBUSA-N 1 3 353.510 2.629 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CC3(CCC3)C2)CC1 ZINC001098460788 1020927107 /nfs/dbraw/zinc/92/71/07/1020927107.db2.gz JWEUERDDIVUXAZ-NJYVYQBISA-N 1 3 369.553 2.633 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CC3(CCC3)C2)CC1 ZINC001098460788 1020927115 /nfs/dbraw/zinc/92/71/15/1020927115.db2.gz JWEUERDDIVUXAZ-NJYVYQBISA-N 1 3 369.553 2.633 20 30 FFEDHO CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C#N)cc(C[N@H+](C)[C@H]2CC[C@H]2OC)c1 ZINC000934103682 1021142701 /nfs/dbraw/zinc/14/27/01/1021142701.db2.gz DICHXDSMQXHNCP-UWHLTILDSA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C#N)cc(C[N@@H+](C)[C@H]2CC[C@H]2OC)c1 ZINC000934103682 1021142704 /nfs/dbraw/zinc/14/27/04/1021142704.db2.gz DICHXDSMQXHNCP-UWHLTILDSA-N 1 3 357.498 2.777 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C(F)(F)F ZINC001099316935 1022281318 /nfs/dbraw/zinc/28/13/18/1022281318.db2.gz KDRRRDOZLQSXRH-ARFHVFGLSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C(F)(F)F ZINC001099322388 1022291955 /nfs/dbraw/zinc/29/19/55/1022291955.db2.gz PAUDTBBYJIYFFD-HZPDHXFCSA-N 1 3 355.404 2.527 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001121496681 1023811167 /nfs/dbraw/zinc/81/11/67/1023811167.db2.gz HXOSKRUZHSIARO-KRWDZBQOSA-N 1 3 360.550 2.584 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001121496681 1023811170 /nfs/dbraw/zinc/81/11/70/1023811170.db2.gz HXOSKRUZHSIARO-KRWDZBQOSA-N 1 3 360.550 2.584 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001121595831 1023871697 /nfs/dbraw/zinc/87/16/97/1023871697.db2.gz YOLJJDBZHGEBSB-MSOLQXFVSA-N 1 3 372.561 2.584 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001121595831 1023871701 /nfs/dbraw/zinc/87/17/01/1023871701.db2.gz YOLJJDBZHGEBSB-MSOLQXFVSA-N 1 3 372.561 2.584 20 30 FFEDHO N#Cc1c2c(sc1NC(=O)c1cccc([C@H]3CCC[NH2+]3)c1)CNCC2 ZINC001218553893 1033219390 /nfs/dbraw/zinc/21/93/90/1033219390.db2.gz SXZUTBYETYGEKC-MRXNPFEDSA-N 1 3 352.463 2.942 20 30 FFEDHO N#Cc1c(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)sc2c1CCNC2 ZINC001218554624 1033220145 /nfs/dbraw/zinc/22/01/45/1033220145.db2.gz VNRNAJXDWNPUBT-UHFFFAOYSA-N 1 3 366.490 2.525 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001103174150 1027030076 /nfs/dbraw/zinc/03/00/76/1027030076.db2.gz BSBVZANCAGAMNH-KBAYOESNSA-N 1 3 355.954 2.934 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174150 1027030081 /nfs/dbraw/zinc/03/00/81/1027030081.db2.gz BSBVZANCAGAMNH-KBAYOESNSA-N 1 3 355.954 2.934 20 30 FFEDHO CCN(CC)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103550241 1027666433 /nfs/dbraw/zinc/66/64/33/1027666433.db2.gz GQMAZLVURUMNPT-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO CCN(CC)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103550241 1027666436 /nfs/dbraw/zinc/66/64/36/1027666436.db2.gz GQMAZLVURUMNPT-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)CCC[NH3+] ZINC001160947384 1027937269 /nfs/dbraw/zinc/93/72/69/1027937269.db2.gz FBBXNGDTUSJWFR-UZLBHIALSA-N 1 3 350.466 2.714 20 30 FFEDHO CN(C)/C=N/c1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc1C#N ZINC001162962998 1028735461 /nfs/dbraw/zinc/73/54/61/1028735461.db2.gz MQPHSNPEQXCWPH-LSPPGFKNSA-N 1 3 355.486 2.740 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1c1ccc(F)cc1 ZINC001205325661 1031671812 /nfs/dbraw/zinc/67/18/12/1031671812.db2.gz DDROPZXXNUUCDO-LEWJYISDSA-N 1 3 371.500 2.609 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1cccc(F)c1 ZINC001205458378 1031763276 /nfs/dbraw/zinc/76/32/76/1031763276.db2.gz IIMXKWRTUUDXTI-HBMCJLEFSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1F ZINC001205652890 1031905812 /nfs/dbraw/zinc/90/58/12/1031905812.db2.gz CZVIXQCLOYOAKD-XKGZKEIXSA-N 1 3 359.489 2.628 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1F ZINC001205654257 1031909167 /nfs/dbraw/zinc/90/91/67/1031909167.db2.gz YZQZARIFNZHMEU-IMFGXOCKSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CC[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000829779140 1033332766 /nfs/dbraw/zinc/33/27/66/1033332766.db2.gz OGYPNTDGRXAWAD-FQEVSTJZSA-N 1 3 353.510 2.634 20 30 FFEDHO C=CCCCCCN1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049413 1033489344 /nfs/dbraw/zinc/48/93/44/1033489344.db2.gz MLDIVVJDBUEPAC-VQTJNVASSA-N 1 3 363.546 2.520 20 30 FFEDHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)cc3)[C@H]2C1 ZINC001223947061 1033657152 /nfs/dbraw/zinc/65/71/52/1033657152.db2.gz SYKSBWVXKJRJPD-RTWAWAEBSA-N 1 3 368.525 2.713 20 30 FFEDHO N=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC001254051446 1040552344 /nfs/dbraw/zinc/55/23/44/1040552344.db2.gz KYXANAPSGNLAJF-UHFFFAOYSA-N 1 3 374.488 2.967 20 30 FFEDHO CN(C)CC[NH+](CCN(C)C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356959 1040682174 /nfs/dbraw/zinc/68/21/74/1040682174.db2.gz WELQWPXRMSLDNM-UHFFFAOYSA-N 1 3 360.521 2.955 20 30 FFEDHO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](OC)C1 ZINC001213914615 1041070494 /nfs/dbraw/zinc/07/04/94/1041070494.db2.gz NQOIHOMBYGBMRK-NSISKUIASA-N 1 3 359.514 2.532 20 30 FFEDHO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](OC)C1 ZINC001213914615 1041070510 /nfs/dbraw/zinc/07/05/10/1041070510.db2.gz NQOIHOMBYGBMRK-NSISKUIASA-N 1 3 359.514 2.532 20 30 FFEDHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1)[NH+](C)C ZINC001264486981 1042693601 /nfs/dbraw/zinc/69/36/01/1042693601.db2.gz MZMNXDVXTHKTOX-PWIZWCRZSA-N 1 3 356.514 2.519 20 30 FFEDHO C=CCN(CC[NH+]1CCC2(CN(C)C2)CC1)C(=O)OCc1ccccc1 ZINC001279582433 1043291588 /nfs/dbraw/zinc/29/15/88/1043291588.db2.gz LXVHYXSVWWOMPL-UHFFFAOYSA-N 1 3 357.498 2.839 20 30 FFEDHO C=CCN(CCN1CCC2(C[NH+](C)C2)CC1)C(=O)OCc1ccccc1 ZINC001279582433 1043291597 /nfs/dbraw/zinc/29/15/97/1043291597.db2.gz LXVHYXSVWWOMPL-UHFFFAOYSA-N 1 3 357.498 2.839 20 30 FFEDHO C[NH+](C)CCOc1ccccc1CNCCC(=O)Nc1cccc(C#N)c1 ZINC001325840159 1046657882 /nfs/dbraw/zinc/65/78/82/1046657882.db2.gz JKCLTUOLWYGQCJ-UHFFFAOYSA-N 1 3 366.465 2.617 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342026443 1050625522 /nfs/dbraw/zinc/62/55/22/1050625522.db2.gz NBPXKEKIZMSBAZ-KRWDZBQOSA-N 1 3 360.550 2.584 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001100161150 1055872126 /nfs/dbraw/zinc/87/21/26/1055872126.db2.gz ARXLMESCGJTIKL-VQTJNVASSA-N 1 3 371.525 2.640 20 30 FFEDHO N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001565919338 1076802389 /nfs/dbraw/zinc/80/23/89/1076802389.db2.gz DREZZYAVSBWTDU-GHTZIAJQSA-N 1 3 368.525 2.809 20 30 FFEDHO CCCC[C@H](ON=C(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000375237396 512225468 /nfs/dbraw/zinc/22/54/68/512225468.db2.gz NSJKWSNBXFRUCN-IBGZPJMESA-N 1 3 366.550 2.632 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000106336484 508399485 /nfs/dbraw/zinc/39/94/85/508399485.db2.gz XLLSXOXVWKFTLP-UHFFFAOYSA-N 1 3 358.530 2.978 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000106336484 508399486 /nfs/dbraw/zinc/39/94/86/508399486.db2.gz XLLSXOXVWKFTLP-UHFFFAOYSA-N 1 3 358.530 2.978 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182621704 509338148 /nfs/dbraw/zinc/33/81/48/509338148.db2.gz LKFULTKWKQHDOX-QZTJIDSGSA-N 1 3 362.562 2.979 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182621704 509338154 /nfs/dbraw/zinc/33/81/54/509338154.db2.gz LKFULTKWKQHDOX-QZTJIDSGSA-N 1 3 362.562 2.979 20 30 FFEDHO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000185886264 509407596 /nfs/dbraw/zinc/40/75/96/509407596.db2.gz FSVQESUOXJMTRK-QUCCMNQESA-N 1 3 354.498 2.684 20 30 FFEDHO N#C[C@@H]1CCC[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000248866308 509518455 /nfs/dbraw/zinc/51/84/55/509518455.db2.gz QDHPXDNABPLHJX-LSTHTHJFSA-N 1 3 354.498 2.556 20 30 FFEDHO N#C[C@@H]1CCC[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000248866308 509518461 /nfs/dbraw/zinc/51/84/61/509518461.db2.gz QDHPXDNABPLHJX-LSTHTHJFSA-N 1 3 354.498 2.556 20 30 FFEDHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186170008 509556743 /nfs/dbraw/zinc/55/67/43/509556743.db2.gz CKERQKBZXVFCOC-UHFFFAOYSA-N 1 3 370.541 2.927 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000171780922 510366072 /nfs/dbraw/zinc/36/60/72/510366072.db2.gz JCSKMLKEWQLDPJ-FQEVSTJZSA-N 1 3 362.562 2.981 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000171780922 510366075 /nfs/dbraw/zinc/36/60/75/510366075.db2.gz JCSKMLKEWQLDPJ-FQEVSTJZSA-N 1 3 362.562 2.981 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000188041451 510564646 /nfs/dbraw/zinc/56/46/46/510564646.db2.gz AKPFXCACACUQAD-NRFANRHFSA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000188041451 510564652 /nfs/dbraw/zinc/56/46/52/510564652.db2.gz AKPFXCACACUQAD-NRFANRHFSA-N 1 3 370.541 2.847 20 30 FFEDHO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285449821 510911861 /nfs/dbraw/zinc/91/18/61/510911861.db2.gz IZWONENUCVKMHH-YIONKMFJSA-N 1 3 372.538 2.994 20 30 FFEDHO CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285449821 510911865 /nfs/dbraw/zinc/91/18/65/510911865.db2.gz IZWONENUCVKMHH-YIONKMFJSA-N 1 3 372.538 2.994 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282843964 511132171 /nfs/dbraw/zinc/13/21/71/511132171.db2.gz TYHHIAXJKPNJCC-OAQYLSRUSA-N 1 3 367.537 2.749 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282843964 511132177 /nfs/dbraw/zinc/13/21/77/511132177.db2.gz TYHHIAXJKPNJCC-OAQYLSRUSA-N 1 3 367.537 2.749 20 30 FFEDHO CC(C)C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000280760951 511591739 /nfs/dbraw/zinc/59/17/39/511591739.db2.gz CRJCLDPJENQPLW-UXHICEINSA-N 1 3 352.482 2.867 20 30 FFEDHO Cc1nc2c(cccc2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000328722472 511920388 /nfs/dbraw/zinc/92/03/88/511920388.db2.gz XOUUMHGTYZUSBT-UHFFFAOYSA-N 1 3 355.486 2.735 20 30 FFEDHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281674130 511927379 /nfs/dbraw/zinc/92/73/79/511927379.db2.gz UCEVWQIWSMSEIT-WOJBJXKFSA-N 1 3 352.482 2.725 20 30 FFEDHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000281674130 511927382 /nfs/dbraw/zinc/92/73/82/511927382.db2.gz UCEVWQIWSMSEIT-WOJBJXKFSA-N 1 3 352.482 2.725 20 30 FFEDHO CN(CCC#N)C(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367495558 512529460 /nfs/dbraw/zinc/52/94/60/512529460.db2.gz OSDBWUSMPNAUQR-QFIPXVFZSA-N 1 3 368.525 2.737 20 30 FFEDHO CN(CCC#N)C(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000367495558 512529465 /nfs/dbraw/zinc/52/94/65/512529465.db2.gz OSDBWUSMPNAUQR-QFIPXVFZSA-N 1 3 368.525 2.737 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000376507475 512849209 /nfs/dbraw/zinc/84/92/09/512849209.db2.gz WDHXQHKGCVLARC-HXUWFJFHSA-N 1 3 350.466 2.575 20 30 FFEDHO COc1cc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)ccc1C#N ZINC000440829323 513418643 /nfs/dbraw/zinc/41/86/43/513418643.db2.gz IVAKXFMMYJGZSJ-UHFFFAOYSA-N 1 3 353.466 2.840 20 30 FFEDHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424126054 514390057 /nfs/dbraw/zinc/39/00/57/514390057.db2.gz BBNCFENGFYHTPB-HLIPFELVSA-N 1 3 356.514 2.802 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475453789 514671162 /nfs/dbraw/zinc/67/11/62/514671162.db2.gz ZLDYVHJCNSTELT-LEWJYISDSA-N 1 3 370.541 2.948 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475453789 514671173 /nfs/dbraw/zinc/67/11/73/514671173.db2.gz ZLDYVHJCNSTELT-LEWJYISDSA-N 1 3 370.541 2.948 20 30 FFEDHO C=CCN1CC[C@@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000499600959 515385027 /nfs/dbraw/zinc/38/50/27/515385027.db2.gz RYSGAEADFKVJAE-HXUWFJFHSA-N 1 3 353.510 2.761 20 30 FFEDHO C=CCN1CC[C@@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000499600959 515385033 /nfs/dbraw/zinc/38/50/33/515385033.db2.gz RYSGAEADFKVJAE-HXUWFJFHSA-N 1 3 353.510 2.761 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000465667833 516223681 /nfs/dbraw/zinc/22/36/81/516223681.db2.gz RPBPKOLYOBHLTM-XLIONFOSSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000465667833 516223689 /nfs/dbraw/zinc/22/36/89/516223689.db2.gz RPBPKOLYOBHLTM-XLIONFOSSA-N 1 3 371.529 2.677 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565567561 519019702 /nfs/dbraw/zinc/01/97/02/519019702.db2.gz UBJZICGDMLWCLM-HFSMHLIXSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000565567561 519019709 /nfs/dbraw/zinc/01/97/09/519019709.db2.gz UBJZICGDMLWCLM-HFSMHLIXSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000565567561 519019714 /nfs/dbraw/zinc/01/97/14/519019714.db2.gz UBJZICGDMLWCLM-HFSMHLIXSA-N 1 3 371.525 2.735 20 30 FFEDHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440545 519966063 /nfs/dbraw/zinc/96/60/63/519966063.db2.gz FCDRWXGLHSTBEE-PXNSSMCTSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440545 519966069 /nfs/dbraw/zinc/96/60/69/519966069.db2.gz FCDRWXGLHSTBEE-PXNSSMCTSA-N 1 3 356.514 2.946 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cc(C#N)ccc43)CC2)CC1 ZINC000597772890 520225625 /nfs/dbraw/zinc/22/56/25/520225625.db2.gz PTHIPQCYHBLRJH-UHFFFAOYSA-N 1 3 366.509 2.644 20 30 FFEDHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@H](O)CC3(C#N)CC3)CC2)c1 ZINC000600716424 520417034 /nfs/dbraw/zinc/41/70/34/520417034.db2.gz FOPBJVSSCXUVQM-OAQYLSRUSA-N 1 3 370.541 2.542 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000598217732 520499556 /nfs/dbraw/zinc/49/95/56/520499556.db2.gz AOHWXTYGKKLORL-MOPGFXCFSA-N 1 3 350.466 2.764 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000598217732 520499563 /nfs/dbraw/zinc/49/95/63/520499563.db2.gz AOHWXTYGKKLORL-MOPGFXCFSA-N 1 3 350.466 2.764 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596676947 521209751 /nfs/dbraw/zinc/20/97/51/521209751.db2.gz KMAHZGBKPBLSHG-IBGZPJMESA-N 1 3 371.529 2.504 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596676947 521209757 /nfs/dbraw/zinc/20/97/57/521209757.db2.gz KMAHZGBKPBLSHG-IBGZPJMESA-N 1 3 371.529 2.504 20 30 FFEDHO COc1cc(C#N)ccc1OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846620 521566996 /nfs/dbraw/zinc/56/69/96/521566996.db2.gz SHXKHVOJDDTBMY-UHFFFAOYSA-N 1 3 352.438 2.553 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)C(C)C ZINC000624614130 522821539 /nfs/dbraw/zinc/82/15/39/522821539.db2.gz KQPTZDRPEJEXQN-OALUTQOASA-N 1 3 350.551 2.716 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624614130 522821548 /nfs/dbraw/zinc/82/15/48/522821548.db2.gz KQPTZDRPEJEXQN-OALUTQOASA-N 1 3 350.551 2.716 20 30 FFEDHO C=CCN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000625322904 523350601 /nfs/dbraw/zinc/35/06/01/523350601.db2.gz MLOXXAKGHBFVGZ-FCHUYYIVSA-N 1 3 367.537 2.911 20 30 FFEDHO C=CCN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000625322904 523350607 /nfs/dbraw/zinc/35/06/07/523350607.db2.gz MLOXXAKGHBFVGZ-FCHUYYIVSA-N 1 3 367.537 2.911 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc2cc(Cl)ccc2s1 ZINC000261965752 729655692 /nfs/dbraw/zinc/65/56/92/729655692.db2.gz BASMOHUFTVUXSA-GFCCVEGCSA-N 1 3 351.907 2.838 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000180991820 970877930 /nfs/dbraw/zinc/87/79/30/970877930.db2.gz WXMVQDSDOIWTQD-UWJYYQICSA-N 1 3 365.477 2.834 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180991820 970877941 /nfs/dbraw/zinc/87/79/41/970877941.db2.gz WXMVQDSDOIWTQD-UWJYYQICSA-N 1 3 365.477 2.834 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000891521523 964424879 /nfs/dbraw/zinc/42/48/79/964424879.db2.gz ICDFUNVTDFSDOU-PXNSSMCTSA-N 1 3 362.562 2.966 20 30 FFEDHO C#CCN1CCC(C(=O)N(C[C@@H](C)[NH+](C)C)c2c(C)cccc2C)CC1 ZINC000891566140 964496569 /nfs/dbraw/zinc/49/65/69/964496569.db2.gz BBJJZJYBLFIXJQ-LJQANCHMSA-N 1 3 355.526 2.932 20 30 FFEDHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087175625 965102954 /nfs/dbraw/zinc/10/29/54/965102954.db2.gz XLHOLXKZKJEEIV-UTKZUKDTSA-N 1 3 368.525 2.759 20 30 FFEDHO C=C(C)COc1cc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)ccc1OC ZINC000057963282 984531691 /nfs/dbraw/zinc/53/16/91/984531691.db2.gz RJCAUCBYTYOSEC-SFHVURJKSA-N 1 3 361.530 2.766 20 30 FFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666721 988609998 /nfs/dbraw/zinc/60/99/98/988609998.db2.gz RNUXZTLQXFRUHU-DDUZABMNSA-N 1 3 359.917 2.636 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001106672911 988623094 /nfs/dbraw/zinc/62/30/94/988623094.db2.gz NGDZIVAGXIDFLT-YLJYHZDGSA-N 1 3 370.541 2.720 20 30 FFEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050068 992274487 /nfs/dbraw/zinc/27/44/87/992274487.db2.gz NEDYGXXGWWDJCR-HSALFYBXSA-N 1 3 355.526 2.735 20 30 FFEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000941050068 992274499 /nfs/dbraw/zinc/27/44/99/992274499.db2.gz NEDYGXXGWWDJCR-HSALFYBXSA-N 1 3 355.526 2.735 20 30 FFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001131583001 994428779 /nfs/dbraw/zinc/42/87/79/994428779.db2.gz KPQLUPRRTIYJMI-QFUCXCTJSA-N 1 3 365.562 2.669 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2F)CC1 ZINC001085432720 999517587 /nfs/dbraw/zinc/51/75/87/999517587.db2.gz MVAPBWPUVKFQGT-NHCUHLMSSA-N 1 3 371.500 2.688 20 30 FFEDHO C[N@@H+]1CCC[C@H](CCNc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001156385368 1000081024 /nfs/dbraw/zinc/08/10/24/1000081024.db2.gz DVPFPLVKZNVOOK-HUUCEWRRSA-N 1 3 359.474 2.569 20 30 FFEDHO C[N@H+]1CCC[C@H](CCNc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001156385368 1000081027 /nfs/dbraw/zinc/08/10/27/1000081027.db2.gz DVPFPLVKZNVOOK-HUUCEWRRSA-N 1 3 359.474 2.569 20 30 FFEDHO C[N@@H+]1CCC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000766991164 1000094494 /nfs/dbraw/zinc/09/44/94/1000094494.db2.gz XDBHGMQRLDNLDB-INMHGKMJSA-N 1 3 368.506 2.889 20 30 FFEDHO C[N@H+]1CCC[C@@H]2CN(CC(=O)C(C#N)c3nc4ccccc4s3)CC[C@@H]21 ZINC000766991164 1000094497 /nfs/dbraw/zinc/09/44/97/1000094497.db2.gz XDBHGMQRLDNLDB-INMHGKMJSA-N 1 3 368.506 2.889 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)CC1 ZINC001086882518 1001299880 /nfs/dbraw/zinc/29/98/80/1001299880.db2.gz UNQRAXZZGVOGSN-GHTZIAJQSA-N 1 3 371.500 2.545 20 30 FFEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001112585199 1001543675 /nfs/dbraw/zinc/54/36/75/1001543675.db2.gz GUJHIEMOIUISCJ-UNMCSNQZSA-N 1 3 353.510 2.603 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2c2ccccc2)CC1 ZINC001086625025 1003762644 /nfs/dbraw/zinc/76/26/44/1003762644.db2.gz HDRHZDRKQSKPLF-FCHUYYIVSA-N 1 3 367.537 2.572 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@H]2c2ccccc2)CC1 ZINC001086625025 1003762649 /nfs/dbraw/zinc/76/26/49/1003762649.db2.gz HDRHZDRKQSKPLF-FCHUYYIVSA-N 1 3 367.537 2.572 20 30 FFEDHO C=CCCCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742288 1004720033 /nfs/dbraw/zinc/72/00/33/1004720033.db2.gz OOBLDBKIXPVVRZ-LMMKCTJWSA-N 1 3 359.514 2.749 20 30 FFEDHO C=CCCCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198742288 1004720040 /nfs/dbraw/zinc/72/00/40/1004720040.db2.gz OOBLDBKIXPVVRZ-LMMKCTJWSA-N 1 3 359.514 2.749 20 30 FFEDHO C#CCN(C(=O)c1cccc(CN2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000886574489 1008750077 /nfs/dbraw/zinc/75/00/77/1008750077.db2.gz IGLBOUWGEKWCJA-UHFFFAOYSA-N 1 3 353.510 2.842 20 30 FFEDHO N#CC(Cc1cccs1)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001177911385 1008784374 /nfs/dbraw/zinc/78/43/74/1008784374.db2.gz FHQWHUCEDPNAFE-ZDUSSCGKSA-N 1 3 358.442 2.750 20 30 FFEDHO N#CC1(C[C@H](O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648615 1008792233 /nfs/dbraw/zinc/79/22/33/1008792233.db2.gz ZBRQHDJDPXDEOT-HBMCJLEFSA-N 1 3 353.510 2.885 20 30 FFEDHO N#CC1(C[C@H](O)CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000886648615 1008792246 /nfs/dbraw/zinc/79/22/46/1008792246.db2.gz ZBRQHDJDPXDEOT-HBMCJLEFSA-N 1 3 353.510 2.885 20 30 FFEDHO CCCCN1CCCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000104181577 1009933979 /nfs/dbraw/zinc/93/39/79/1009933979.db2.gz ILEUZEMAODOLGI-KRWDZBQOSA-N 1 3 362.518 2.763 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000104183250 1009934365 /nfs/dbraw/zinc/93/43/65/1009934365.db2.gz SVTYBNCLHZTRBI-KRWDZBQOSA-N 1 3 371.460 2.902 20 30 FFEDHO C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H](N)CCCC#N)CCCCC1 ZINC000714217623 1010157851 /nfs/dbraw/zinc/15/78/51/1010157851.db2.gz NBVWYYLTIHAEAB-IBGZPJMESA-N 1 3 356.514 2.959 20 30 FFEDHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H](N)CCCC#N)CCCCC1 ZINC000714217623 1010157860 /nfs/dbraw/zinc/15/78/60/1010157860.db2.gz NBVWYYLTIHAEAB-IBGZPJMESA-N 1 3 356.514 2.959 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2C)CC1 ZINC001093221767 1010164333 /nfs/dbraw/zinc/16/43/33/1010164333.db2.gz CYYUZISJEMCMBP-DENIHFKCSA-N 1 3 367.537 2.524 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2C)CC1 ZINC001093221767 1010164337 /nfs/dbraw/zinc/16/43/37/1010164337.db2.gz CYYUZISJEMCMBP-DENIHFKCSA-N 1 3 367.537 2.524 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000303974669 1012548713 /nfs/dbraw/zinc/54/87/13/1012548713.db2.gz IELAPKLWMYLCCH-KRWDZBQOSA-N 1 3 371.460 2.902 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC/C=C\CCC)C[C@H]32)CC1 ZINC001222043848 1032694777 /nfs/dbraw/zinc/69/47/77/1032694777.db2.gz FCRZJCLVYXQHLC-RWNOFTCYSA-N 1 3 357.542 2.611 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CC/C=C\CCC)C[C@H]32)CC1 ZINC001222043848 1032694787 /nfs/dbraw/zinc/69/47/87/1032694787.db2.gz FCRZJCLVYXQHLC-RWNOFTCYSA-N 1 3 357.542 2.611 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCNC[C@@H]3C3CCCC3)CC2)nc1 ZINC000925609106 1017799507 /nfs/dbraw/zinc/79/95/07/1017799507.db2.gz OTLMPGVCBSRZKK-WOJBJXKFSA-N 1 3 353.514 2.680 20 30 FFEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001111023660 1020693023 /nfs/dbraw/zinc/69/30/23/1020693023.db2.gz VLTXUFYYIJHRGD-PDOICOKGSA-N 1 3 351.510 2.887 20 30 FFEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001111023660 1020693030 /nfs/dbraw/zinc/69/30/30/1020693030.db2.gz VLTXUFYYIJHRGD-PDOICOKGSA-N 1 3 351.510 2.887 20 30 FFEDHO C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001099079829 1021732593 /nfs/dbraw/zinc/73/25/93/1021732593.db2.gz JRHRSFZEZPJWED-GBESFXJTSA-N 1 3 365.562 2.526 20 30 FFEDHO C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001099079829 1021732606 /nfs/dbraw/zinc/73/26/06/1021732606.db2.gz JRHRSFZEZPJWED-GBESFXJTSA-N 1 3 365.562 2.526 20 30 FFEDHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001099496405 1022631827 /nfs/dbraw/zinc/63/18/27/1022631827.db2.gz BGUJHNOPCKTKLA-ONTIZHBOSA-N 1 3 368.525 2.617 20 30 FFEDHO N#Cc1c(NC(=O)[C@H]2C[C@@H](c3ccccc3)CC[NH2+]2)sc2c1CCNC2 ZINC001218551938 1033216707 /nfs/dbraw/zinc/21/67/07/1033216707.db2.gz DAYDGOBGYRADNW-WMLDXEAASA-N 1 3 366.490 2.740 20 30 FFEDHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001103156439 1027011183 /nfs/dbraw/zinc/01/11/83/1027011183.db2.gz DDVWDEXFXDQMDP-IEBWSBKVSA-N 1 3 370.541 2.863 20 30 FFEDHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001103156439 1027011188 /nfs/dbraw/zinc/01/11/88/1027011188.db2.gz DDVWDEXFXDQMDP-IEBWSBKVSA-N 1 3 370.541 2.863 20 30 FFEDHO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)CCC[NH3+] ZINC001160947359 1027937775 /nfs/dbraw/zinc/93/77/75/1027937775.db2.gz FBBXNGDTUSJWFR-JXFKEZNVSA-N 1 3 350.466 2.714 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCCCCF)C[C@H]2C)CC1 ZINC001103751714 1028138403 /nfs/dbraw/zinc/13/84/03/1028138403.db2.gz NDVXJVINGXAVHB-UYAOXDASSA-N 1 3 365.537 2.546 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CCCCCF)C[C@H]2C)CC1 ZINC001103751714 1028138411 /nfs/dbraw/zinc/13/84/11/1028138411.db2.gz NDVXJVINGXAVHB-UYAOXDASSA-N 1 3 365.537 2.546 20 30 FFEDHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103754588 1028142076 /nfs/dbraw/zinc/14/20/76/1028142076.db2.gz MFUCUBNFYCZBMD-HZPDHXFCSA-N 1 3 362.543 2.534 20 30 FFEDHO CC(C)N(C)CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001103754588 1028142085 /nfs/dbraw/zinc/14/20/85/1028142085.db2.gz MFUCUBNFYCZBMD-HZPDHXFCSA-N 1 3 362.543 2.534 20 30 FFEDHO C[C@H](c1ccccc1)N(C(=O)[C@H](N)C1CC[NH2+]CC1)C1=CC(=O)CCC1 ZINC001161509424 1028206000 /nfs/dbraw/zinc/20/60/00/1028206000.db2.gz OXSQYRYROWAEFE-FOIQADDNSA-N 1 3 355.482 2.540 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)CC[N@@H+]1C ZINC001226334516 1034633583 /nfs/dbraw/zinc/63/35/83/1034633583.db2.gz UUEYRHJJNNWEEW-DXBBTUNJSA-N 1 3 367.537 2.785 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)CC[N@H+]1C ZINC001226334516 1034633588 /nfs/dbraw/zinc/63/35/88/1034633588.db2.gz UUEYRHJJNNWEEW-DXBBTUNJSA-N 1 3 367.537 2.785 20 30 FFEDHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001226941554 1034889502 /nfs/dbraw/zinc/88/95/02/1034889502.db2.gz CYOKFHOYRAUFNS-AQNXPRMDSA-N 1 3 356.514 2.661 20 30 FFEDHO C=CCN1CCC(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC001221807848 1035084385 /nfs/dbraw/zinc/08/43/85/1035084385.db2.gz DVLUGAMISPMICK-CTNGQTDRSA-N 1 3 368.525 2.553 20 30 FFEDHO C=CCN1CCC(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)CC1 ZINC001221807848 1035084391 /nfs/dbraw/zinc/08/43/91/1035084391.db2.gz DVLUGAMISPMICK-CTNGQTDRSA-N 1 3 368.525 2.553 20 30 FFEDHO C=CCN(CC=C)CCN1CCN([C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256922327 1038657233 /nfs/dbraw/zinc/65/72/33/1038657233.db2.gz CYIJZYWFVJCAGO-QFIPXVFZSA-N 1 3 360.590 2.685 20 30 FFEDHO C=CCN(CC=C)CCN1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256922327 1038657235 /nfs/dbraw/zinc/65/72/35/1038657235.db2.gz CYIJZYWFVJCAGO-QFIPXVFZSA-N 1 3 360.590 2.685 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001264067404 1042610701 /nfs/dbraw/zinc/61/07/01/1042610701.db2.gz BTIDKLQPDITJAX-VQTJNVASSA-N 1 3 356.514 2.759 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1CC ZINC001264067404 1042610703 /nfs/dbraw/zinc/61/07/03/1042610703.db2.gz BTIDKLQPDITJAX-VQTJNVASSA-N 1 3 356.514 2.759 20 30 FFEDHO CCc1cc(C#N)ccc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001279869976 1043804272 /nfs/dbraw/zinc/80/42/72/1043804272.db2.gz SZAXIIRJWHMVLI-JOCHJYFZSA-N 1 3 354.542 2.970 20 30 FFEDHO CCc1cc(C#N)ccc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001279869976 1043804289 /nfs/dbraw/zinc/80/42/89/1043804289.db2.gz SZAXIIRJWHMVLI-JOCHJYFZSA-N 1 3 354.542 2.970 20 30 FFEDHO N#Cc1cc(-c2cccc3cc([C@H]4CNCCO4)cn32)cc(C2C[NH2+]C2)c1 ZINC001240355117 1044321636 /nfs/dbraw/zinc/32/16/36/1044321636.db2.gz BGOPXXPXFLBBML-JOCHJYFZSA-N 1 3 358.445 2.826 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)CC1 ZINC001331437258 1047935551 /nfs/dbraw/zinc/93/55/51/1047935551.db2.gz IATYQNAVSGPRQV-FGZHOGPDSA-N 1 3 365.521 2.600 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001340568385 1050954418 /nfs/dbraw/zinc/95/44/18/1050954418.db2.gz RLVMHHMEJBCMBB-QGZVFWFLSA-N 1 3 360.550 2.584 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccccc2Br)CC1 ZINC001336784174 1054224100 /nfs/dbraw/zinc/22/41/00/1054224100.db2.gz DDPZYMVVXHILMD-QGZVFWFLSA-N 1 3 351.288 2.560 20 30 FFEDHO C#CCOc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000847473586 1055870305 /nfs/dbraw/zinc/87/03/05/1055870305.db2.gz JNUTWSJFXZQLPN-UHFFFAOYSA-N 1 3 369.509 2.833 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC001353316616 1056291559 /nfs/dbraw/zinc/29/15/59/1056291559.db2.gz PLSAHPFTKHCKIO-QGZVFWFLSA-N 1 3 370.415 2.522 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000108709711 507913286 /nfs/dbraw/zinc/91/32/86/507913286.db2.gz NOUIKOGIBUYGRJ-LJQANCHMSA-N 1 3 367.537 2.880 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000108709711 507913289 /nfs/dbraw/zinc/91/32/89/507913289.db2.gz NOUIKOGIBUYGRJ-LJQANCHMSA-N 1 3 367.537 2.880 20 30 FFEDHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000114199282 508299416 /nfs/dbraw/zinc/29/94/16/508299416.db2.gz FLOHFYFOEYGCEM-AWEZNQCLSA-N 1 3 360.527 2.711 20 30 FFEDHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000114199282 508299418 /nfs/dbraw/zinc/29/94/18/508299418.db2.gz FLOHFYFOEYGCEM-AWEZNQCLSA-N 1 3 360.527 2.711 20 30 FFEDHO C=CCN(CCCN1CC[NH+](C(C)C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000192727161 509617077 /nfs/dbraw/zinc/61/70/77/509617077.db2.gz SZXYVVBVYGNYTG-UHFFFAOYSA-N 1 3 360.502 2.999 20 30 FFEDHO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184746565 510497186 /nfs/dbraw/zinc/49/71/86/510497186.db2.gz ZXTZTCHKVUIABH-AGQFNQOXSA-N 1 3 370.541 2.741 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000266611869 510687179 /nfs/dbraw/zinc/68/71/79/510687179.db2.gz BRDDTQCHAYMSMY-SFHVURJKSA-N 1 3 369.509 2.691 20 30 FFEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000266611869 510687183 /nfs/dbraw/zinc/68/71/83/510687183.db2.gz BRDDTQCHAYMSMY-SFHVURJKSA-N 1 3 369.509 2.691 20 30 FFEDHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279608372 511144002 /nfs/dbraw/zinc/14/40/02/511144002.db2.gz SWVKJKCFCFUPNR-IBGZPJMESA-N 1 3 352.482 2.963 20 30 FFEDHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279608372 511144006 /nfs/dbraw/zinc/14/40/06/511144006.db2.gz SWVKJKCFCFUPNR-IBGZPJMESA-N 1 3 352.482 2.963 20 30 FFEDHO C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413264458 513556895 /nfs/dbraw/zinc/55/68/95/513556895.db2.gz MIBCZOMYMYIAMN-FGTMMUONSA-N 1 3 356.514 2.710 20 30 FFEDHO C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413264458 513556899 /nfs/dbraw/zinc/55/68/99/513556899.db2.gz MIBCZOMYMYIAMN-FGTMMUONSA-N 1 3 356.514 2.710 20 30 FFEDHO CC1(C#N)CCC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414342368 514056445 /nfs/dbraw/zinc/05/64/45/514056445.db2.gz PJLLQELSMRODBR-UHFFFAOYSA-N 1 3 368.525 2.946 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(CCCOc3cccc(C#N)c3)CC2)CC1 ZINC000420984873 514423271 /nfs/dbraw/zinc/42/32/71/514423271.db2.gz UZIUCSFAHVVPFR-UHFFFAOYSA-N 1 3 370.541 2.819 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(CCCOc3cccc(C#N)c3)CC2)CC1 ZINC000420984873 514423280 /nfs/dbraw/zinc/42/32/80/514423280.db2.gz UZIUCSFAHVVPFR-UHFFFAOYSA-N 1 3 370.541 2.819 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000489275127 514778295 /nfs/dbraw/zinc/77/82/95/514778295.db2.gz GROPRICQRZFKEH-GBESFXJTSA-N 1 3 350.551 2.857 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000557485329 518029273 /nfs/dbraw/zinc/02/92/73/518029273.db2.gz GRWCWZUZMYWXCJ-QGZVFWFLSA-N 1 3 368.525 2.932 20 30 FFEDHO Cc1csc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C#N ZINC000563820792 518138480 /nfs/dbraw/zinc/13/84/80/518138480.db2.gz LPLIZDWNKSFFFM-UHFFFAOYSA-N 1 3 361.515 2.608 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(CC#N)c3)CC2)CC1 ZINC000565207642 518844380 /nfs/dbraw/zinc/84/43/80/518844380.db2.gz GLOHMPDUTOPOLI-UHFFFAOYSA-N 1 3 354.498 2.887 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597941547 520341179 /nfs/dbraw/zinc/34/11/79/520341179.db2.gz BQLNLSLGOXLDCA-LBPRGKRZSA-N 1 3 371.312 2.867 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597941547 520341185 /nfs/dbraw/zinc/34/11/85/520341185.db2.gz BQLNLSLGOXLDCA-LBPRGKRZSA-N 1 3 371.312 2.867 20 30 FFEDHO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C#N)c(N[C@H]2CCN(C3CC3)C2)n1 ZINC000596090394 520906423 /nfs/dbraw/zinc/90/64/23/520906423.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 1 3 366.513 2.559 20 30 FFEDHO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@H]2CCN(C3CC3)C2)n1 ZINC000596090394 520906428 /nfs/dbraw/zinc/90/64/28/520906428.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 1 3 366.513 2.559 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000606641470 521120352 /nfs/dbraw/zinc/12/03/52/521120352.db2.gz BAWXMFKBSKLVFU-PKOBYXMFSA-N 1 3 350.551 2.715 20 30 FFEDHO CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302698 521137045 /nfs/dbraw/zinc/13/70/45/521137045.db2.gz JCZOHTIORUUIGO-RTWAWAEBSA-N 1 3 371.525 2.512 20 30 FFEDHO CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302698 521137052 /nfs/dbraw/zinc/13/70/52/521137052.db2.gz JCZOHTIORUUIGO-RTWAWAEBSA-N 1 3 371.525 2.512 20 30 FFEDHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000602580418 521420566 /nfs/dbraw/zinc/42/05/66/521420566.db2.gz DQAOBDONVPLPBE-JKSUJKDBSA-N 1 3 370.419 2.836 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)C(C)C ZINC000624614129 522822468 /nfs/dbraw/zinc/82/24/68/522822468.db2.gz KQPTZDRPEJEXQN-MOPGFXCFSA-N 1 3 350.551 2.716 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)C(C)C ZINC000624614129 522822473 /nfs/dbraw/zinc/82/24/73/522822473.db2.gz KQPTZDRPEJEXQN-MOPGFXCFSA-N 1 3 350.551 2.716 20 30 FFEDHO C=CC[C@@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000625702106 523632177 /nfs/dbraw/zinc/63/21/77/523632177.db2.gz CUZUHATTYZJVMB-LJQANCHMSA-N 1 3 355.526 2.974 20 30 FFEDHO C=CC(C)(C)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000872875179 731845098 /nfs/dbraw/zinc/84/50/98/731845098.db2.gz WTEBJNFXQYWESZ-UHFFFAOYSA-N 1 3 350.551 2.837 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000896208402 971332295 /nfs/dbraw/zinc/33/22/95/971332295.db2.gz GPBSELKVTDBPJL-FQEVSTJZSA-N 1 3 359.514 2.891 20 30 FFEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083425 972354472 /nfs/dbraw/zinc/35/44/72/972354472.db2.gz YDPCKUWWNMLQCX-HSALFYBXSA-N 1 3 355.526 2.735 20 30 FFEDHO C=C(C)CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000975083425 972354480 /nfs/dbraw/zinc/35/44/80/972354480.db2.gz YDPCKUWWNMLQCX-HSALFYBXSA-N 1 3 355.526 2.735 20 30 FFEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]C)CC1 ZINC000261648596 963126517 /nfs/dbraw/zinc/12/65/17/963126517.db2.gz DXMIBYLNNJQIIX-OTWHNJEPSA-N 1 3 360.546 2.540 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001023994294 968404999 /nfs/dbraw/zinc/40/49/99/968404999.db2.gz DJLUTROAQVTZJJ-DZFGPLHGSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3ccccc3C#N)C2)CC[N@H+]1C ZINC001023994294 968405002 /nfs/dbraw/zinc/40/50/02/968405002.db2.gz DJLUTROAQVTZJJ-DZFGPLHGSA-N 1 3 368.525 2.617 20 30 FFEDHO [NH2+]=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000261613238 977363869 /nfs/dbraw/zinc/36/38/69/977363869.db2.gz GFWWCYPQLMOVAS-VAMGGRTRSA-N 1 3 368.525 2.513 20 30 FFEDHO C=CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087459510 977977486 /nfs/dbraw/zinc/97/74/86/977977486.db2.gz IKHIZESNYNWKCT-WOJBJXKFSA-N 1 3 371.500 2.772 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1F ZINC001079299011 991986404 /nfs/dbraw/zinc/98/64/04/991986404.db2.gz RVSBTFDDLDGOMH-PKOBYXMFSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079314698 991988411 /nfs/dbraw/zinc/98/84/11/991988411.db2.gz GPSCJPCSJUUMBN-CEWLAPEOSA-N 1 3 371.500 2.606 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1F ZINC001079314698 991988423 /nfs/dbraw/zinc/98/84/23/991988423.db2.gz GPSCJPCSJUUMBN-CEWLAPEOSA-N 1 3 371.500 2.606 20 30 FFEDHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085196940 992701550 /nfs/dbraw/zinc/70/15/50/992701550.db2.gz VQBXEPKYTZBPSU-NJYVYQBISA-N 1 3 368.525 2.948 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001131558222 994393831 /nfs/dbraw/zinc/39/38/31/994393831.db2.gz NPIFCKGMIFJPNB-AQNXPRMDSA-N 1 3 365.562 2.525 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC001085203891 999157778 /nfs/dbraw/zinc/15/77/78/999157778.db2.gz IOPQCUOXMJBQMY-SJFSSXKUSA-N 1 3 372.488 2.555 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001085203891 999157780 /nfs/dbraw/zinc/15/77/80/999157780.db2.gz IOPQCUOXMJBQMY-SJFSSXKUSA-N 1 3 372.488 2.555 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C)CC1 ZINC001085432734 999518004 /nfs/dbraw/zinc/51/80/04/999518004.db2.gz NMIFTQNEECSUQL-FGZHOGPDSA-N 1 3 367.537 2.857 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C)CC1 ZINC001096605255 1016343264 /nfs/dbraw/zinc/34/32/64/1016343264.db2.gz GSVMWYUWGTWKGA-FSSWDIPSSA-N 1 3 365.521 2.562 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C)CC1 ZINC001096605255 1016343274 /nfs/dbraw/zinc/34/32/74/1016343274.db2.gz GSVMWYUWGTWKGA-FSSWDIPSSA-N 1 3 365.521 2.562 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccc(C#N)cc1 ZINC001489141470 1005422415 /nfs/dbraw/zinc/42/24/15/1005422415.db2.gz QVGMFUZHPZHRTB-VQTJNVASSA-N 1 3 356.514 2.759 20 30 FFEDHO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883282686 1006730142 /nfs/dbraw/zinc/73/01/42/1006730142.db2.gz AMUDDHJVNQMKOJ-UHFFFAOYSA-N 1 3 363.509 2.666 20 30 FFEDHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000859212744 1008488438 /nfs/dbraw/zinc/48/84/38/1008488438.db2.gz OBZQEQOVHCLGJP-NRFANRHFSA-N 1 3 367.493 2.686 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCc2ccccc2)c1 ZINC000303906763 1012516689 /nfs/dbraw/zinc/51/66/89/1012516689.db2.gz WHMQJFPCTYJUFA-LJQANCHMSA-N 1 3 367.497 2.549 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000303974671 1012549185 /nfs/dbraw/zinc/54/91/85/1012549185.db2.gz IELAPKLWMYLCCH-QGZVFWFLSA-N 1 3 371.460 2.902 20 30 FFEDHO C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001071104949 1020217818 /nfs/dbraw/zinc/21/78/18/1020217818.db2.gz HPJSTYIVUDNHDM-RTWAWAEBSA-N 1 3 371.525 2.534 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C)CC1 ZINC001098460578 1020928074 /nfs/dbraw/zinc/92/80/74/1020928074.db2.gz GSVMWYUWGTWKGA-VSKRKVRLSA-N 1 3 365.521 2.562 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C)CC1 ZINC001098460578 1020928079 /nfs/dbraw/zinc/92/80/79/1020928079.db2.gz GSVMWYUWGTWKGA-VSKRKVRLSA-N 1 3 365.521 2.562 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099261215 1022183581 /nfs/dbraw/zinc/18/35/81/1022183581.db2.gz QOSXOWQNGHFYEM-ARFHVFGLSA-N 1 3 361.452 2.519 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C(F)(F)F ZINC001099261215 1022183583 /nfs/dbraw/zinc/18/35/83/1022183583.db2.gz QOSXOWQNGHFYEM-ARFHVFGLSA-N 1 3 361.452 2.519 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295703 1022247450 /nfs/dbraw/zinc/24/74/50/1022247450.db2.gz PIAOBTZJPIZUEG-BZUAXINKSA-N 1 3 361.452 2.663 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295703 1022247460 /nfs/dbraw/zinc/24/74/60/1022247460.db2.gz PIAOBTZJPIZUEG-BZUAXINKSA-N 1 3 361.452 2.663 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099317410 1022283363 /nfs/dbraw/zinc/28/33/63/1022283363.db2.gz COZUGKMIGITPLV-BZUAXINKSA-N 1 3 361.452 2.804 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C(F)(F)F ZINC001099317410 1022283378 /nfs/dbraw/zinc/28/33/78/1022283378.db2.gz COZUGKMIGITPLV-BZUAXINKSA-N 1 3 361.452 2.804 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099346743 1022341250 /nfs/dbraw/zinc/34/12/50/1022341250.db2.gz KLZHOODXBQTJOM-BZUAXINKSA-N 1 3 361.452 2.662 20 30 FFEDHO CC[N@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001103614441 1027781743 /nfs/dbraw/zinc/78/17/43/1027781743.db2.gz NXFAMHQAFCVUPH-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO CC[N@@H+](C)CCC(=O)NCC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001103614441 1027781759 /nfs/dbraw/zinc/78/17/59/1027781759.db2.gz NXFAMHQAFCVUPH-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cnc(CN)c2C(=O)OCC)cc1 ZINC001162541189 1028576390 /nfs/dbraw/zinc/57/63/90/1028576390.db2.gz RASGSJNHAJVURU-GOSISDBHSA-N 1 3 354.454 2.831 20 30 FFEDHO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cnc(CN)c2C(=O)OCC)cc1 ZINC001162541189 1028576399 /nfs/dbraw/zinc/57/63/99/1028576399.db2.gz RASGSJNHAJVURU-GOSISDBHSA-N 1 3 354.454 2.831 20 30 FFEDHO C[NH2+]Cc1cccc(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001167033947 1030621389 /nfs/dbraw/zinc/62/13/89/1030621389.db2.gz XBOJDVCLYSVXAO-OAHLLOKOSA-N 1 3 353.426 2.888 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1ccccc1F ZINC001205619613 1031878711 /nfs/dbraw/zinc/87/87/11/1031878711.db2.gz JLTGHLMBJZYULA-TYPHKJRUSA-N 1 3 371.500 2.607 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1F ZINC001205619613 1031878720 /nfs/dbraw/zinc/87/87/20/1031878720.db2.gz JLTGHLMBJZYULA-TYPHKJRUSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923267 1033893050 /nfs/dbraw/zinc/89/30/50/1033893050.db2.gz ZJXANDZUJLZTEU-MOPGFXCFSA-N 1 3 365.562 2.547 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923267 1033893058 /nfs/dbraw/zinc/89/30/58/1033893058.db2.gz ZJXANDZUJLZTEU-MOPGFXCFSA-N 1 3 365.562 2.547 20 30 FFEDHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)C1CCC1 ZINC001226824982 1034853443 /nfs/dbraw/zinc/85/34/43/1034853443.db2.gz UUMRYRWCCAKPRX-NHCUHLMSSA-N 1 3 353.510 2.539 20 30 FFEDHO CN(C)CC(C)(C)C[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001207284965 1037314215 /nfs/dbraw/zinc/31/42/15/1037314215.db2.gz WJLKNIGRCPANRE-UHFFFAOYSA-N 1 3 357.502 2.732 20 30 FFEDHO C=CCN(CCN1Cc2ccccc2C2(CC[NH2+]CC2)C1)C(=O)OCC ZINC001235972791 1037870502 /nfs/dbraw/zinc/87/05/02/1037870502.db2.gz BQWZBVBDZNMDGR-UHFFFAOYSA-N 1 3 357.498 2.768 20 30 FFEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001246305474 1039307900 /nfs/dbraw/zinc/30/79/00/1039307900.db2.gz HYQMJCWUASMYAE-RTWAWAEBSA-N 1 3 373.541 2.858 20 30 FFEDHO N#Cc1ccc(-c2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247831499 1039979275 /nfs/dbraw/zinc/97/92/75/1039979275.db2.gz TWLZDBSGQZQKMV-GOSISDBHSA-N 1 3 357.417 2.552 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526666 1040645251 /nfs/dbraw/zinc/64/52/51/1040645251.db2.gz TXLABGQXIPPTEX-RTBURBONSA-N 1 3 353.551 2.504 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921697 1041075326 /nfs/dbraw/zinc/07/53/26/1041075326.db2.gz HRPZFBSFJRXZDG-RTBURBONSA-N 1 3 353.551 2.648 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214855989 1041596315 /nfs/dbraw/zinc/59/63/15/1041596315.db2.gz TWKAHMDNLVBJIH-CEMLEFRQSA-N 1 3 367.537 2.738 20 30 FFEDHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214855989 1041596323 /nfs/dbraw/zinc/59/63/23/1041596323.db2.gz TWKAHMDNLVBJIH-CEMLEFRQSA-N 1 3 367.537 2.738 20 30 FFEDHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215036019 1041651680 /nfs/dbraw/zinc/65/16/80/1041651680.db2.gz LWMRYDFHLRCBMD-FCEUIQTBSA-N 1 3 367.537 2.595 20 30 FFEDHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215036019 1041651683 /nfs/dbraw/zinc/65/16/83/1041651683.db2.gz LWMRYDFHLRCBMD-FCEUIQTBSA-N 1 3 367.537 2.595 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC001262568152 1041726855 /nfs/dbraw/zinc/72/68/55/1041726855.db2.gz MUWDTTGJDAJMIU-QGZVFWFLSA-N 1 3 369.278 2.699 20 30 FFEDHO C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001264001609 1042574858 /nfs/dbraw/zinc/57/48/58/1042574858.db2.gz AOSCUUWGYXRAKC-FUHIMQAGSA-N 1 3 353.526 2.992 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](Cc4ccns4)C[C@H]3CC2)cc1C#N ZINC001279555595 1043250039 /nfs/dbraw/zinc/25/00/39/1043250039.db2.gz BKBPJWYQFWSGAP-CALCHBBNSA-N 1 3 355.511 2.697 20 30 FFEDHO Cn1cc(CN2CC[C@H]3C[N@H+](Cc4ccns4)C[C@H]3CC2)cc1C#N ZINC001279555595 1043250044 /nfs/dbraw/zinc/25/00/44/1043250044.db2.gz BKBPJWYQFWSGAP-CALCHBBNSA-N 1 3 355.511 2.697 20 30 FFEDHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)c3F)(C1)CCC2 ZINC001279763449 1043605501 /nfs/dbraw/zinc/60/55/01/1043605501.db2.gz XBPIFLAYOQATIF-UXHICEINSA-N 1 3 361.461 2.842 20 30 FFEDHO N#Cc1cc(-c2cccc3cc([C@@H]4CNCCO4)cn32)cc(C2C[NH2+]C2)c1 ZINC001240355147 1044320396 /nfs/dbraw/zinc/32/03/96/1044320396.db2.gz BGOPXXPXFLBBML-QFIPXVFZSA-N 1 3 358.445 2.826 20 30 FFEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001340077536 1050484165 /nfs/dbraw/zinc/48/41/65/1050484165.db2.gz QHFGAMIBTIEKAE-SFHVURJKSA-N 1 3 362.493 2.978 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177695 1051802813 /nfs/dbraw/zinc/80/28/13/1051802813.db2.gz GLYHJZBSGYRWMO-HCXYKTFWSA-N 1 3 361.917 2.873 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001343177695 1051802826 /nfs/dbraw/zinc/80/28/26/1051802826.db2.gz GLYHJZBSGYRWMO-HCXYKTFWSA-N 1 3 361.917 2.873 20 30 FFEDHO C#CCN1CCC(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001344507266 1052808359 /nfs/dbraw/zinc/80/83/59/1052808359.db2.gz NYZCKWYYAKYLSA-UHFFFAOYSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCN1CCC(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001344507266 1052808365 /nfs/dbraw/zinc/80/83/65/1052808365.db2.gz NYZCKWYYAKYLSA-UHFFFAOYSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCCN(CC(F)(F)F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847743676 1056505947 /nfs/dbraw/zinc/50/59/47/1056505947.db2.gz DTNZDOTVCNONMP-UHFFFAOYSA-N 1 3 373.463 2.597 20 30 FFEDHO C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001574921843 1078093011 /nfs/dbraw/zinc/09/30/11/1078093011.db2.gz LGJXAIHUOMPIDK-KRWDZBQOSA-N 1 3 360.550 2.979 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNCc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001569669943 1077157861 /nfs/dbraw/zinc/15/78/61/1077157861.db2.gz YPFNOBNSUYIETD-VWPQPMDRSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(CNCc3ccccc3C#N)C2)CC[N@H+]1C ZINC001569669943 1077157864 /nfs/dbraw/zinc/15/78/64/1077157864.db2.gz YPFNOBNSUYIETD-VWPQPMDRSA-N 1 3 368.525 2.617 20 30 FFEDHO CCN(C[C@@H](C)C#N)C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821187 508102335 /nfs/dbraw/zinc/10/23/35/508102335.db2.gz CGCRNPORMDIIRC-SFHVURJKSA-N 1 3 371.529 2.628 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111495918 508104528 /nfs/dbraw/zinc/10/45/28/508104528.db2.gz QDXPEQPYILPPBQ-UHFFFAOYSA-N 1 3 350.551 2.982 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000093124444 508122182 /nfs/dbraw/zinc/12/21/82/508122182.db2.gz GINIBYWSJWIPBG-UHFFFAOYSA-N 1 3 371.529 2.638 20 30 FFEDHO C#CCCOc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000113331410 508261349 /nfs/dbraw/zinc/26/13/49/508261349.db2.gz SHJPLSYPWQTFFQ-UHFFFAOYSA-N 1 3 355.526 2.737 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000176598475 509604535 /nfs/dbraw/zinc/60/45/35/509604535.db2.gz NVMIVLJRHPFZRB-YLJYHZDGSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000176598475 509604542 /nfs/dbraw/zinc/60/45/42/509604542.db2.gz NVMIVLJRHPFZRB-YLJYHZDGSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000176598461 509604579 /nfs/dbraw/zinc/60/45/79/509604579.db2.gz NVMIVLJRHPFZRB-PXNSSMCTSA-N 1 3 356.514 2.599 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000176598461 509604584 /nfs/dbraw/zinc/60/45/84/509604584.db2.gz NVMIVLJRHPFZRB-PXNSSMCTSA-N 1 3 356.514 2.599 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000176720649 509657620 /nfs/dbraw/zinc/65/76/20/509657620.db2.gz MAZUJLKEZSJZRF-GHTZIAJQSA-N 1 3 353.510 2.501 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000176720649 509657626 /nfs/dbraw/zinc/65/76/26/509657626.db2.gz MAZUJLKEZSJZRF-GHTZIAJQSA-N 1 3 353.510 2.501 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249365274 509661829 /nfs/dbraw/zinc/66/18/29/509661829.db2.gz OITMZGQKRZWFFQ-FXAWDEMLSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249365274 509661831 /nfs/dbraw/zinc/66/18/31/509661831.db2.gz OITMZGQKRZWFFQ-FXAWDEMLSA-N 1 3 372.513 2.613 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000171694855 510312641 /nfs/dbraw/zinc/31/26/41/510312641.db2.gz SKZTUCZWOHOJKW-HXUWFJFHSA-N 1 3 356.514 2.773 20 30 FFEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000171709463 510322549 /nfs/dbraw/zinc/32/25/49/510322549.db2.gz HUNZXYCBCXPUIN-UHFFFAOYSA-N 1 3 370.541 2.909 20 30 FFEDHO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184746545 510497483 /nfs/dbraw/zinc/49/74/83/510497483.db2.gz ZXTZTCHKVUIABH-GYPIEGGISA-N 1 3 370.541 2.741 20 30 FFEDHO C[N@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000279841537 511236756 /nfs/dbraw/zinc/23/67/56/511236756.db2.gz ZXMFJRNLNZTQSZ-OAQYLSRUSA-N 1 3 360.461 2.879 20 30 FFEDHO C[N@@H+](CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000279841537 511236760 /nfs/dbraw/zinc/23/67/60/511236760.db2.gz ZXMFJRNLNZTQSZ-OAQYLSRUSA-N 1 3 360.461 2.879 20 30 FFEDHO C=CCN(CCc1ccco1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000272356349 511491923 /nfs/dbraw/zinc/49/19/23/511491923.db2.gz PHSPBMVHGBEDTR-UHFFFAOYSA-N 1 3 374.529 2.578 20 30 FFEDHO C#CCCN1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000369592922 512500860 /nfs/dbraw/zinc/50/08/60/512500860.db2.gz RMPFTTHTNGPYSX-UHFFFAOYSA-N 1 3 353.510 2.503 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1 ZINC000412313366 513035370 /nfs/dbraw/zinc/03/53/70/513035370.db2.gz IPTPZMMIKYJOKS-HXUWFJFHSA-N 1 3 350.466 2.575 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000412313366 513035371 /nfs/dbraw/zinc/03/53/71/513035371.db2.gz IPTPZMMIKYJOKS-HXUWFJFHSA-N 1 3 350.466 2.575 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C(C)C ZINC000415953258 513496335 /nfs/dbraw/zinc/49/63/35/513496335.db2.gz FGYDZOMWNWIGFG-XLIONFOSSA-N 1 3 371.529 2.718 20 30 FFEDHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424138226 514395627 /nfs/dbraw/zinc/39/56/27/514395627.db2.gz TZVTUIUXQBHVCQ-HLIPFELVSA-N 1 3 356.514 2.802 20 30 FFEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000424139820 514397148 /nfs/dbraw/zinc/39/71/48/514397148.db2.gz FMWPTAGPYWFCKQ-TZIWHRDSSA-N 1 3 354.498 2.522 20 30 FFEDHO N#CCCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000424139820 514397151 /nfs/dbraw/zinc/39/71/51/514397151.db2.gz FMWPTAGPYWFCKQ-TZIWHRDSSA-N 1 3 354.498 2.522 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N(CC)CC[NH+]2CCCCCC2)CC1 ZINC000493807887 515666228 /nfs/dbraw/zinc/66/62/28/515666228.db2.gz ITNFHQHKLNNINB-UHFFFAOYSA-N 1 3 350.551 2.934 20 30 FFEDHO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501029264 515944867 /nfs/dbraw/zinc/94/48/67/515944867.db2.gz QDXPZCKRVPSKQN-UTKZUKDTSA-N 1 3 371.529 2.673 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000465667835 516223150 /nfs/dbraw/zinc/22/31/50/516223150.db2.gz RPBPKOLYOBHLTM-YLJYHZDGSA-N 1 3 371.529 2.677 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000465667835 516223159 /nfs/dbraw/zinc/22/31/59/516223159.db2.gz RPBPKOLYOBHLTM-YLJYHZDGSA-N 1 3 371.529 2.677 20 30 FFEDHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528353735 516371355 /nfs/dbraw/zinc/37/13/55/516371355.db2.gz JFVOAWOHFJTYDW-HXUWFJFHSA-N 1 3 359.514 2.742 20 30 FFEDHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528353735 516371365 /nfs/dbraw/zinc/37/13/65/516371365.db2.gz JFVOAWOHFJTYDW-HXUWFJFHSA-N 1 3 359.514 2.742 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC000518626094 516727551 /nfs/dbraw/zinc/72/75/51/516727551.db2.gz FZCMLOJQPDNSQL-UXHICEINSA-N 1 3 362.562 2.955 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000566430623 519490162 /nfs/dbraw/zinc/49/01/62/519490162.db2.gz FYTYYHBAYNPFED-FQEVSTJZSA-N 1 3 372.488 2.703 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(CC#N)cc3)CC2)CC1 ZINC000594373986 519922822 /nfs/dbraw/zinc/92/28/22/519922822.db2.gz KHSZNXKZIUINKD-UHFFFAOYSA-N 1 3 368.525 2.565 20 30 FFEDHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436702 519963683 /nfs/dbraw/zinc/96/36/83/519963683.db2.gz FTUAWGKMPSUCOZ-KRWDZBQOSA-N 1 3 360.527 2.894 20 30 FFEDHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595296135 520392096 /nfs/dbraw/zinc/39/20/96/520392096.db2.gz IYNYXWONWIDIRO-UHFFFAOYSA-N 1 3 370.541 2.661 20 30 FFEDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccnc(C#N)c1 ZINC000610994476 520935042 /nfs/dbraw/zinc/93/50/42/520935042.db2.gz IFMZPEHNHWXSSJ-UHFFFAOYSA-N 1 3 355.530 2.581 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC000633040285 522491032 /nfs/dbraw/zinc/49/10/32/522491032.db2.gz HJVYUPWSVLKDER-FQEVSTJZSA-N 1 3 356.514 2.519 20 30 FFEDHO CC[NH+](CC)C1CCN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1 ZINC001165054571 722006704 /nfs/dbraw/zinc/00/67/04/722006704.db2.gz RPBZYIRFRMNKTD-MRXNPFEDSA-N 1 3 373.501 2.736 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000129777357 728713147 /nfs/dbraw/zinc/71/31/47/728713147.db2.gz PVZFAELCWYGGOR-IEBWSBKVSA-N 1 3 359.539 2.592 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000129777357 728713148 /nfs/dbraw/zinc/71/31/48/728713148.db2.gz PVZFAELCWYGGOR-IEBWSBKVSA-N 1 3 359.539 2.592 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000868221479 731271224 /nfs/dbraw/zinc/27/12/24/731271224.db2.gz ISCODQIXYUTITF-UHFFFAOYSA-N 1 3 350.551 2.837 20 30 FFEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000876897688 732294199 /nfs/dbraw/zinc/29/41/99/732294199.db2.gz LYPMATGBUPMHOB-QGZVFWFLSA-N 1 3 350.894 2.625 20 30 FFEDHO C[NH+](C)[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000759978434 736607872 /nfs/dbraw/zinc/60/78/72/736607872.db2.gz VLVIRLBQDRXLTK-LSDHHAIUSA-N 1 3 356.495 2.889 20 30 FFEDHO CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000328650870 960241485 /nfs/dbraw/zinc/24/14/85/960241485.db2.gz BFHUNECAITWEKA-ZWKOTPCHSA-N 1 3 373.545 2.843 20 30 FFEDHO CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000328650870 960241499 /nfs/dbraw/zinc/24/14/99/960241499.db2.gz BFHUNECAITWEKA-ZWKOTPCHSA-N 1 3 373.545 2.843 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)[C@@H]2CC)CC1 ZINC001087840246 970522545 /nfs/dbraw/zinc/52/25/45/970522545.db2.gz NRVOGTUDPSIQNX-FCHUYYIVSA-N 1 3 367.537 2.809 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)[C@@H]2CC)CC1 ZINC001087840246 970522554 /nfs/dbraw/zinc/52/25/54/970522554.db2.gz NRVOGTUDPSIQNX-FCHUYYIVSA-N 1 3 367.537 2.809 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccc(C#N)cc2)CC3)CC[N@@H+]1C ZINC000990758505 976912144 /nfs/dbraw/zinc/91/21/44/976912144.db2.gz AEGWBDYOITYHET-KREFBHGWSA-N 1 3 366.509 2.512 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccc(C#N)cc2)CC3)CC[N@H+]1C ZINC000990758505 976912157 /nfs/dbraw/zinc/91/21/57/976912157.db2.gz AEGWBDYOITYHET-KREFBHGWSA-N 1 3 366.509 2.512 20 30 FFEDHO N#Cc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211915524 980880314 /nfs/dbraw/zinc/88/03/14/980880314.db2.gz JGWLHTOMSCCJDR-LJQANCHMSA-N 1 3 371.444 2.797 20 30 FFEDHO N#Cc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34CNC4)n2)c1 ZINC001211915524 980880316 /nfs/dbraw/zinc/88/03/16/980880316.db2.gz JGWLHTOMSCCJDR-LJQANCHMSA-N 1 3 371.444 2.797 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC000997794294 985748273 /nfs/dbraw/zinc/74/82/73/985748273.db2.gz ZAVMWLLVFBHFBR-LEWJYISDSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000997794294 985748280 /nfs/dbraw/zinc/74/82/80/985748280.db2.gz ZAVMWLLVFBHFBR-LEWJYISDSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCc1ccc(OC[C@H](O)CN(CC)[C@@H]2CCC[NH2+]CC2)c(OC)c1 ZINC000923335288 991073814 /nfs/dbraw/zinc/07/38/14/991073814.db2.gz KRZQWCWOZFBNKP-RTBURBONSA-N 1 3 362.514 2.627 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079153616 991819868 /nfs/dbraw/zinc/81/98/68/991819868.db2.gz QLHUNIIGVWBBDU-XUVXKRRUSA-N 1 3 359.489 2.626 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1ccccc1F ZINC001079321741 991997590 /nfs/dbraw/zinc/99/75/90/991997590.db2.gz AGOSRKDAICQOQW-DFQSSKMNSA-N 1 3 359.489 2.770 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(CCOCc2ccccc2)CC1 ZINC000184647635 992906526 /nfs/dbraw/zinc/90/65/26/992906526.db2.gz BDNFAEQEGNPCBW-IBGZPJMESA-N 1 3 358.530 2.762 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1ccccc1 ZINC001081203682 993754030 /nfs/dbraw/zinc/75/40/30/993754030.db2.gz XUXKZGWMGHPBTO-LEWJYISDSA-N 1 3 355.526 2.879 20 30 FFEDHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001085217820 999185321 /nfs/dbraw/zinc/18/53/21/999185321.db2.gz SEQPECYYQIRKIG-NJDAHSKKSA-N 1 3 368.525 2.950 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CCCC2)CC1 ZINC001085432649 999517928 /nfs/dbraw/zinc/51/79/28/999517928.db2.gz JGJKIRNFYPCDLF-NHCUHLMSSA-N 1 3 359.558 2.929 20 30 FFEDHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001112548470 1001458258 /nfs/dbraw/zinc/45/82/58/1001458258.db2.gz BDDCLRBZCABARN-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO CCCCCCCC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001201812990 1005271025 /nfs/dbraw/zinc/27/10/25/1005271025.db2.gz ABMUCNFYORMOBS-UHFFFAOYSA-N 1 3 366.594 2.517 20 30 FFEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853120 1018027695 /nfs/dbraw/zinc/02/76/95/1018027695.db2.gz JFGFPFKNEURGPA-WWNBULGVSA-N 1 3 351.510 2.887 20 30 FFEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853120 1018027708 /nfs/dbraw/zinc/02/77/08/1018027708.db2.gz JFGFPFKNEURGPA-WWNBULGVSA-N 1 3 351.510 2.887 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC2CCCC2)C3)CC1 ZINC001099174289 1021999675 /nfs/dbraw/zinc/99/96/75/1021999675.db2.gz GMDLUIMIBOREHQ-GMAHTHKFSA-N 1 3 371.569 2.883 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC2CCCC2)C3)CC1 ZINC001099174289 1021999685 /nfs/dbraw/zinc/99/96/85/1021999685.db2.gz GMDLUIMIBOREHQ-GMAHTHKFSA-N 1 3 371.569 2.883 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000753298064 1023302712 /nfs/dbraw/zinc/30/27/12/1023302712.db2.gz FGTOGXHLQHFFBN-TZIWHRDSSA-N 1 3 367.537 2.749 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000753298064 1023302716 /nfs/dbraw/zinc/30/27/16/1023302716.db2.gz FGTOGXHLQHFFBN-TZIWHRDSSA-N 1 3 367.537 2.749 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121495118 1023810394 /nfs/dbraw/zinc/81/03/94/1023810394.db2.gz CELGLPPTEQQBMJ-MOPGFXCFSA-N 1 3 372.561 2.586 20 30 FFEDHO C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520912 1026199350 /nfs/dbraw/zinc/19/93/50/1026199350.db2.gz HQWZUABCZXUDMH-HZPDHXFCSA-N 1 3 362.543 2.536 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1ccccc1F ZINC001205636220 1031893362 /nfs/dbraw/zinc/89/33/62/1031893362.db2.gz VSCADRXTHIGCJU-AZUAARDMSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CC[C@H]1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000829779424 1033331531 /nfs/dbraw/zinc/33/15/31/1033331531.db2.gz UNCNGKHZPPYKQI-FQEVSTJZSA-N 1 3 367.537 2.811 20 30 FFEDHO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588057 1034901228 /nfs/dbraw/zinc/90/12/28/1034901228.db2.gz RHRJUBQYIKYPPH-GUDVDZBRSA-N 1 3 353.526 2.945 20 30 FFEDHO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588057 1034901231 /nfs/dbraw/zinc/90/12/31/1034901231.db2.gz RHRJUBQYIKYPPH-GUDVDZBRSA-N 1 3 353.526 2.945 20 30 FFEDHO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277734543 1036153745 /nfs/dbraw/zinc/15/37/45/1036153745.db2.gz JSAWJPXFIMGLEH-FPOVZHCZSA-N 1 3 367.578 2.584 20 30 FFEDHO CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277734543 1036153748 /nfs/dbraw/zinc/15/37/48/1036153748.db2.gz JSAWJPXFIMGLEH-FPOVZHCZSA-N 1 3 367.578 2.584 20 30 FFEDHO C=CCN1CCC2(CCN(Cc3cc(F)cc(C[NH+](C)C)c3)CC2)C1=O ZINC001277602077 1038118883 /nfs/dbraw/zinc/11/88/83/1038118883.db2.gz YGMQCJKMMDHYLQ-UHFFFAOYSA-N 1 3 359.489 2.888 20 30 FFEDHO C[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1NCC#Cc1ccccc1 ZINC001215234131 1041709150 /nfs/dbraw/zinc/70/91/50/1041709150.db2.gz FHVKPDHVBGWTKE-TZIWHRDSSA-N 1 3 367.537 2.739 20 30 FFEDHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215774824 1041878456 /nfs/dbraw/zinc/87/84/56/1041878456.db2.gz YROVWOIQDXFLMV-FCEUIQTBSA-N 1 3 367.537 2.738 20 30 FFEDHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215774824 1041878459 /nfs/dbraw/zinc/87/84/59/1041878459.db2.gz YROVWOIQDXFLMV-FCEUIQTBSA-N 1 3 367.537 2.738 20 30 FFEDHO C=CCc1cccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1[O-] ZINC001279604339 1043326949 /nfs/dbraw/zinc/32/69/49/1043326949.db2.gz JGEQYRNUFBRCME-UHFFFAOYSA-N 1 3 357.542 2.970 20 30 FFEDHO C=CCc1cccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1[O-] ZINC001279604339 1043326959 /nfs/dbraw/zinc/32/69/59/1043326959.db2.gz JGEQYRNUFBRCME-UHFFFAOYSA-N 1 3 357.542 2.970 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OCC#N)cc3)CC2)CC1 ZINC001326740742 1047061391 /nfs/dbraw/zinc/06/13/91/1047061391.db2.gz CRTHYKQNAQQWOQ-UHFFFAOYSA-N 1 3 370.497 2.724 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)CC1 ZINC001331437255 1047935687 /nfs/dbraw/zinc/93/56/87/1047935687.db2.gz IATYQNAVSGPRQV-FCHUYYIVSA-N 1 3 365.521 2.600 20 30 FFEDHO Cc1cc(C(C#N)C(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)nc(C)n1 ZINC001341932595 1050530065 /nfs/dbraw/zinc/53/00/65/1050530065.db2.gz ZALVKBXXSRHZHM-KWEPMOPPSA-N 1 3 364.449 2.924 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC001356609909 1055612113 /nfs/dbraw/zinc/61/21/13/1055612113.db2.gz GYJBNAPWJJPUIZ-OAHLLOKOSA-N 1 3 371.308 2.810 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001339067143 1056063850 /nfs/dbraw/zinc/06/38/50/1056063850.db2.gz CELGLPPTEQQBMJ-RTBURBONSA-N 1 3 372.561 2.586 20 30 FFEDHO C=C(C)[C@H]1OCC[C@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849106114 1056763414 /nfs/dbraw/zinc/76/34/14/1056763414.db2.gz VIZSHIMEPICYSS-AZUAARDMSA-N 1 3 356.514 2.746 20 30 FFEDHO C=CCc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc(OC)c1O ZINC001461349073 1061298094 /nfs/dbraw/zinc/29/80/94/1061298094.db2.gz YUTWMWZURBSPCW-RTBURBONSA-N 1 3 360.498 2.597 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000073710663 507947309 /nfs/dbraw/zinc/94/73/09/507947309.db2.gz WUYOOWMPLVPGCB-NXEWRWPSSA-N 1 3 362.562 3.000 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000073710663 507947310 /nfs/dbraw/zinc/94/73/10/507947310.db2.gz WUYOOWMPLVPGCB-NXEWRWPSSA-N 1 3 362.562 3.000 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)C ZINC000073710660 507947319 /nfs/dbraw/zinc/94/73/19/507947319.db2.gz WUYOOWMPLVPGCB-RAFMOHDBSA-N 1 3 362.562 3.000 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000073710660 507947320 /nfs/dbraw/zinc/94/73/20/507947320.db2.gz WUYOOWMPLVPGCB-RAFMOHDBSA-N 1 3 362.562 3.000 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000248396168 509292669 /nfs/dbraw/zinc/29/26/69/509292669.db2.gz JYWDNKGKURQAMI-XKPGHWPRSA-N 1 3 368.525 2.541 20 30 FFEDHO C=CCN1CCC(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000173197228 509450584 /nfs/dbraw/zinc/45/05/84/509450584.db2.gz IKHGPRGWPGLKMP-FQEVSTJZSA-N 1 3 370.541 2.800 20 30 FFEDHO C=CCN1CCC(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000173197228 509450590 /nfs/dbraw/zinc/45/05/90/509450590.db2.gz IKHGPRGWPGLKMP-FQEVSTJZSA-N 1 3 370.541 2.800 20 30 FFEDHO CN1CC[NH+]=C1NC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262661104 510357388 /nfs/dbraw/zinc/35/73/88/510357388.db2.gz MXUWYHGWWNCAQF-GDBMZVCRSA-N 1 3 354.420 2.979 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000287508396 511052251 /nfs/dbraw/zinc/05/22/51/511052251.db2.gz UOIZWZJJAWWDEC-HXUWFJFHSA-N 1 3 374.529 2.638 20 30 FFEDHO C[NH+](C)CCc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1 ZINC000281379415 511825356 /nfs/dbraw/zinc/82/53/56/511825356.db2.gz ZMRWGGNKCFDRTA-NRFANRHFSA-N 1 3 360.461 2.661 20 30 FFEDHO C[NH+](C)CCCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281729273 511946087 /nfs/dbraw/zinc/94/60/87/511946087.db2.gz XDKPYDRLWDXELW-FQEVSTJZSA-N 1 3 352.482 2.821 20 30 FFEDHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCc4[nH]cnc4C3)C2)CC1 ZINC000329732892 512092270 /nfs/dbraw/zinc/09/22/70/512092270.db2.gz JEQMUZNNEDWEGQ-DLBZAZTESA-N 1 3 359.518 2.625 20 30 FFEDHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)C2)CC1 ZINC000329732892 512092271 /nfs/dbraw/zinc/09/22/71/512092271.db2.gz JEQMUZNNEDWEGQ-DLBZAZTESA-N 1 3 359.518 2.625 20 30 FFEDHO C[NH+]1CCC2(CCCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000374054370 512641808 /nfs/dbraw/zinc/64/18/08/512641808.db2.gz WDNFGNIRTZOEBG-IBGZPJMESA-N 1 3 350.466 2.575 20 30 FFEDHO N#Cc1cccc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000414554871 514176572 /nfs/dbraw/zinc/17/65/72/514176572.db2.gz MACXNDXRXBQCDS-UHFFFAOYSA-N 1 3 362.477 2.545 20 30 FFEDHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424138231 514397094 /nfs/dbraw/zinc/39/70/94/514397094.db2.gz TZVTUIUXQBHVCQ-MBOZVWFJSA-N 1 3 356.514 2.802 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000424179136 514407616 /nfs/dbraw/zinc/40/76/16/514407616.db2.gz XTETYCQOEZQLLO-SLFFLAALSA-N 1 3 354.498 2.521 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000424179136 514407624 /nfs/dbraw/zinc/40/76/24/514407624.db2.gz XTETYCQOEZQLLO-SLFFLAALSA-N 1 3 354.498 2.521 20 30 FFEDHO C=CCC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000454443486 515494766 /nfs/dbraw/zinc/49/47/66/515494766.db2.gz CBMDKILMVAXVJL-UHFFFAOYSA-N 1 3 362.562 2.981 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460210321 516069457 /nfs/dbraw/zinc/06/94/57/516069457.db2.gz MXFHXJYNENOOEW-UHFFFAOYSA-N 1 3 370.541 2.961 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000523789793 516579653 /nfs/dbraw/zinc/57/96/53/516579653.db2.gz DYZWMHFBMDNHLY-RTBURBONSA-N 1 3 350.551 2.668 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000523789793 516579664 /nfs/dbraw/zinc/57/96/64/516579664.db2.gz DYZWMHFBMDNHLY-RTBURBONSA-N 1 3 350.551 2.668 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CCC#N)CCC(C)C)CC2)CC1 ZINC000519422452 516993704 /nfs/dbraw/zinc/99/37/04/516993704.db2.gz VVVPSMAKJAWEPN-UHFFFAOYSA-N 1 3 362.562 2.971 20 30 FFEDHO C=C[C@@H]1OCCC[C@H]1NCc1cncc(C[NH2+][C@@H]2CCCO[C@H]2C=C)c1 ZINC000581470134 518300880 /nfs/dbraw/zinc/30/08/80/518300880.db2.gz BJAWWPFMKYTWRC-CGXNFDGLSA-N 1 3 357.498 2.728 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594436631 519964498 /nfs/dbraw/zinc/96/44/98/519964498.db2.gz FDRPALFCZZYEDS-BWPNAZKDSA-N 1 3 356.514 2.670 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594436631 519964508 /nfs/dbraw/zinc/96/45/08/519964508.db2.gz FDRPALFCZZYEDS-BWPNAZKDSA-N 1 3 356.514 2.670 20 30 FFEDHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594501207 520004778 /nfs/dbraw/zinc/00/47/78/520004778.db2.gz WPXDDQKNDLGQGA-UHFFFAOYSA-N 1 3 356.514 2.520 20 30 FFEDHO N#Cc1ccccc1OC[C@H](O)CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000600713606 520414527 /nfs/dbraw/zinc/41/45/27/520414527.db2.gz CRMJOEHRCJMBJS-OAQYLSRUSA-N 1 3 365.477 2.684 20 30 FFEDHO CC(C)N1CCN(CCC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)CC1 ZINC000595770258 520713623 /nfs/dbraw/zinc/71/36/23/520713623.db2.gz WYIWDZKSUWQKIR-UHFFFAOYSA-N 1 3 370.541 2.570 20 30 FFEDHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc(C#N)n1 ZINC000602482623 521371602 /nfs/dbraw/zinc/37/16/02/521371602.db2.gz OQJNQDJNPTZCGZ-UHFFFAOYSA-N 1 3 355.530 2.581 20 30 FFEDHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001104346795 963694477 /nfs/dbraw/zinc/69/44/77/963694477.db2.gz JJNZDLOUPAEYNL-IIDMSEBBSA-N 1 3 362.543 2.534 20 30 FFEDHO CC[NH+]=C(NCCN1CCCCCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261956229 964996874 /nfs/dbraw/zinc/99/68/74/964996874.db2.gz IVHVGVIRAGEMLU-RBUKOAKNSA-N 1 3 360.550 2.608 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CCCC3)[C@@H]2CC)CC1 ZINC001087839923 970520800 /nfs/dbraw/zinc/52/08/00/970520800.db2.gz AGVUIPMVURHMPR-LEWJYISDSA-N 1 3 359.558 2.881 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2CC)CC1 ZINC001087839923 970520808 /nfs/dbraw/zinc/52/08/08/970520808.db2.gz AGVUIPMVURHMPR-LEWJYISDSA-N 1 3 359.558 2.881 20 30 FFEDHO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106759 972824318 /nfs/dbraw/zinc/82/43/18/972824318.db2.gz PLXYXOBXAPSDMO-UWVAXJGDSA-N 1 3 351.510 2.555 20 30 FFEDHO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106759 972824328 /nfs/dbraw/zinc/82/43/28/972824328.db2.gz PLXYXOBXAPSDMO-UWVAXJGDSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CC[C@@]1(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CCC[NH2+]1 ZINC000662754506 973955396 /nfs/dbraw/zinc/95/53/96/973955396.db2.gz PRUARSMGBWJCSF-NRFANRHFSA-N 1 3 356.514 2.774 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccc(C#N)cc2)CC3)CC[N@@H+]1C ZINC000990758500 976910832 /nfs/dbraw/zinc/91/08/32/976910832.db2.gz AEGWBDYOITYHET-ALOBAPJISA-N 1 3 366.509 2.512 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccc(C#N)cc2)CC3)CC[N@H+]1C ZINC000990758500 976910842 /nfs/dbraw/zinc/91/08/42/976910842.db2.gz AEGWBDYOITYHET-ALOBAPJISA-N 1 3 366.509 2.512 20 30 FFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550045 984667506 /nfs/dbraw/zinc/66/75/06/984667506.db2.gz LQFJKATWCBYSMS-UIFIKXQLSA-N 1 3 363.521 2.583 20 30 FFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550045 984667508 /nfs/dbraw/zinc/66/75/08/984667508.db2.gz LQFJKATWCBYSMS-UIFIKXQLSA-N 1 3 363.521 2.583 20 30 FFEDHO C=CCC[C@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495876 987767242 /nfs/dbraw/zinc/76/72/42/987767242.db2.gz RRCDKVOKBCXNQN-QXAKKESOSA-N 1 3 365.562 2.810 20 30 FFEDHO C=CCC[C@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495876 987767247 /nfs/dbraw/zinc/76/72/47/987767247.db2.gz RRCDKVOKBCXNQN-QXAKKESOSA-N 1 3 365.562 2.810 20 30 FFEDHO C=CCN1CCC(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000729942635 996757345 /nfs/dbraw/zinc/75/73/45/996757345.db2.gz PXQNFTMIFLTGJH-UHFFFAOYSA-N 1 3 372.582 2.766 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001084850170 997660010 /nfs/dbraw/zinc/66/00/10/997660010.db2.gz NKDYFMFAQJEIHK-VLCRHTCISA-N 1 3 365.521 2.626 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001084850170 997660015 /nfs/dbraw/zinc/66/00/15/997660015.db2.gz NKDYFMFAQJEIHK-VLCRHTCISA-N 1 3 365.521 2.626 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604541 1003213662 /nfs/dbraw/zinc/21/36/62/1003213662.db2.gz LUMLOTFMVFIWTM-DUXKGJEZSA-N 1 3 368.525 2.615 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092604541 1003213671 /nfs/dbraw/zinc/21/36/71/1003213671.db2.gz LUMLOTFMVFIWTM-DUXKGJEZSA-N 1 3 368.525 2.615 20 30 FFEDHO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(CC)CC)C1 ZINC001186203530 1003221775 /nfs/dbraw/zinc/22/17/75/1003221775.db2.gz NJNYTJWJTOWNJI-UYAOXDASSA-N 1 3 361.505 2.875 20 30 FFEDHO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(CC)CC)C1 ZINC001186203530 1003221783 /nfs/dbraw/zinc/22/17/83/1003221783.db2.gz NJNYTJWJTOWNJI-UYAOXDASSA-N 1 3 361.505 2.875 20 30 FFEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197722903 1004339194 /nfs/dbraw/zinc/33/91/94/1004339194.db2.gz BPDSNCAZHHXRTE-WOJBJXKFSA-N 1 3 367.578 2.796 20 30 FFEDHO Cc1cc(C#N)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170525545 1004614751 /nfs/dbraw/zinc/61/47/51/1004614751.db2.gz RTCYLBAMTWZBDL-UHFFFAOYSA-N 1 3 360.465 2.566 20 30 FFEDHO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001488584928 1005362944 /nfs/dbraw/zinc/36/29/44/1005362944.db2.gz WVVLIMAUFWJSIL-HLIPFELVSA-N 1 3 351.510 2.698 20 30 FFEDHO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001488584928 1005362947 /nfs/dbraw/zinc/36/29/47/1005362947.db2.gz WVVLIMAUFWJSIL-HLIPFELVSA-N 1 3 351.510 2.698 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CCN1Cc1cccc(C#N)c1 ZINC001489117647 1005413521 /nfs/dbraw/zinc/41/35/21/1005413521.db2.gz UASUKLSLMRERSH-QHAWAJNXSA-N 1 3 368.525 2.902 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CCN1Cc1cccc(C#N)c1 ZINC001489117647 1005413524 /nfs/dbraw/zinc/41/35/24/1005413524.db2.gz UASUKLSLMRERSH-QHAWAJNXSA-N 1 3 368.525 2.902 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1Oc1cccc(F)c1 ZINC000104164957 1009930287 /nfs/dbraw/zinc/93/02/87/1009930287.db2.gz FWPAYCVZSAVVQQ-QGZVFWFLSA-N 1 3 371.460 2.902 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC001045439924 1019968754 /nfs/dbraw/zinc/96/87/54/1019968754.db2.gz BZDRHQNLDCABAQ-VQTJNVASSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001045439924 1019968766 /nfs/dbraw/zinc/96/87/66/1019968766.db2.gz BZDRHQNLDCABAQ-VQTJNVASSA-N 1 3 368.525 2.759 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853811 1021102904 /nfs/dbraw/zinc/10/29/04/1021102904.db2.gz XIBXTCMVRIJMAA-HNNXBMFYSA-N 1 3 357.502 2.829 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933853811 1021102908 /nfs/dbraw/zinc/10/29/08/1021102908.db2.gz XIBXTCMVRIJMAA-HNNXBMFYSA-N 1 3 357.502 2.829 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC2=CCCCC2)C3)CC1 ZINC001099174562 1022002868 /nfs/dbraw/zinc/00/28/68/1022002868.db2.gz TWSZZOPRPCYNOU-GMAHTHKFSA-N 1 3 369.553 2.803 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC2=CCCCC2)C3)CC1 ZINC001099174562 1022002878 /nfs/dbraw/zinc/00/28/78/1022002878.db2.gz TWSZZOPRPCYNOU-GMAHTHKFSA-N 1 3 369.553 2.803 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001122631284 1023380130 /nfs/dbraw/zinc/38/01/30/1023380130.db2.gz PMDMYVNKHLBLOY-MOPGFXCFSA-N 1 3 374.577 2.832 20 30 FFEDHO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218542781 1033210247 /nfs/dbraw/zinc/21/02/47/1033210247.db2.gz WZLFHBWWARLWSJ-QGZVFWFLSA-N 1 3 358.442 2.691 20 30 FFEDHO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372700 1025839824 /nfs/dbraw/zinc/83/98/24/1025839824.db2.gz KZRRWAROEBZZIS-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372700 1025839839 /nfs/dbraw/zinc/83/98/39/1025839839.db2.gz KZRRWAROEBZZIS-MBOZVWFJSA-N 1 3 353.526 2.849 20 30 FFEDHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)N(C)C ZINC001103111779 1026971548 /nfs/dbraw/zinc/97/15/48/1026971548.db2.gz OJMLPWYMQIJUBQ-UIFIKXQLSA-N 1 3 370.541 2.719 20 30 FFEDHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)N(C)C ZINC001103111779 1026971550 /nfs/dbraw/zinc/97/15/50/1026971550.db2.gz OJMLPWYMQIJUBQ-UIFIKXQLSA-N 1 3 370.541 2.719 20 30 FFEDHO CN1CCC(N(c2nc(Cl)cc(Cl)c2C#N)C2CC[NH2+]CC2)CC1 ZINC001158591118 1027070801 /nfs/dbraw/zinc/07/08/01/1027070801.db2.gz NYNKIWUBFMIEHR-UHFFFAOYSA-N 1 3 368.312 2.913 20 30 FFEDHO N#CC1(NC(=O)c2cccc3c[nH+]cn32)CCN(Cc2ccccc2)CC1 ZINC001155800361 1028918191 /nfs/dbraw/zinc/91/81/91/1028918191.db2.gz YCRCZYQKMCJYOO-UHFFFAOYSA-N 1 3 359.433 2.622 20 30 FFEDHO CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1c1ccc(F)cc1 ZINC001205292605 1031653208 /nfs/dbraw/zinc/65/32/08/1031653208.db2.gz HOYYOTRFEIXXJJ-LEWJYISDSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205434591 1031743467 /nfs/dbraw/zinc/74/34/67/1031743467.db2.gz MSXXLZPJFNHCDH-XUVXKRRUSA-N 1 3 361.505 2.872 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001220868142 1034438396 /nfs/dbraw/zinc/43/83/96/1034438396.db2.gz CIFOUBXLJWEGLM-OALUTQOASA-N 1 3 373.541 2.890 20 30 FFEDHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001227056191 1034922344 /nfs/dbraw/zinc/92/23/44/1034922344.db2.gz AUGILJWLMJGSKE-VAMGGRTRSA-N 1 3 359.489 2.534 20 30 FFEDHO N#CC1(c2ccc(F)cc2)CCC(N2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246618073 1039416964 /nfs/dbraw/zinc/41/69/64/1039416964.db2.gz JSCQVLCSRNWTBG-OMYXNUHHSA-N 1 3 356.489 2.555 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934281 1041086322 /nfs/dbraw/zinc/08/63/22/1041086322.db2.gz NTWJMUBDDKDUCY-AQNXPRMDSA-N 1 3 365.562 2.669 20 30 FFEDHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cc(F)c(C#N)c(F)c3)(C1)CCC2 ZINC001279312432 1042995477 /nfs/dbraw/zinc/99/54/77/1042995477.db2.gz JHFZASBUWJXIPY-VQTJNVASSA-N 1 3 362.468 2.923 20 30 FFEDHO Cn1cc(CN2CCC3(C2)CC[NH+](C[C@@H]2CCC=CO2)CC3)cc1C#N ZINC001278141409 1043342387 /nfs/dbraw/zinc/34/23/87/1043342387.db2.gz YWKQMAYJVFHITK-FQEVSTJZSA-N 1 3 354.498 2.877 20 30 FFEDHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC001280250419 1044472342 /nfs/dbraw/zinc/47/23/42/1044472342.db2.gz KTKXMONCWRNIAW-KRWDZBQOSA-N 1 3 360.546 2.771 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001342917869 1051527387 /nfs/dbraw/zinc/52/73/87/1051527387.db2.gz DSAAVEXJOZWDTN-QGZVFWFLSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001342917869 1051527396 /nfs/dbraw/zinc/52/73/96/1051527396.db2.gz DSAAVEXJOZWDTN-QGZVFWFLSA-N 1 3 360.550 2.584 20 30 FFEDHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC#Cc1ccccc1 ZINC001316706954 1051761476 /nfs/dbraw/zinc/76/14/76/1051761476.db2.gz YNDSBGPJVDBOKD-CTNGQTDRSA-N 1 3 355.526 2.597 20 30 FFEDHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCC#Cc1ccccc1 ZINC001316706954 1051761490 /nfs/dbraw/zinc/76/14/90/1051761490.db2.gz YNDSBGPJVDBOKD-CTNGQTDRSA-N 1 3 355.526 2.597 20 30 FFEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528814 1058519062 /nfs/dbraw/zinc/51/90/62/1058519062.db2.gz BUBISWYUXVZLOG-GIWBLDEGSA-N 1 3 367.537 2.573 20 30 FFEDHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001500528814 1058519081 /nfs/dbraw/zinc/51/90/81/1058519081.db2.gz BUBISWYUXVZLOG-GIWBLDEGSA-N 1 3 367.537 2.573 20 30 FFEDHO C=CCc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc(OC)c1O ZINC001461349064 1061298942 /nfs/dbraw/zinc/29/89/42/1061298942.db2.gz YUTWMWZURBSPCW-MOPGFXCFSA-N 1 3 360.498 2.597 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001477389387 1061686176 /nfs/dbraw/zinc/68/61/76/1061686176.db2.gz ABVDUBAJKBMRRO-IBGZPJMESA-N 1 3 370.541 2.815 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001477389387 1061686187 /nfs/dbraw/zinc/68/61/87/1061686187.db2.gz ABVDUBAJKBMRRO-IBGZPJMESA-N 1 3 370.541 2.815 20 30 FFEDHO CCCN(C(=O)NCC#CCN(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001479623899 1062636382 /nfs/dbraw/zinc/63/63/82/1062636382.db2.gz UFKXNEUAEXTYAP-NRFANRHFSA-N 1 3 370.541 2.638 20 30 FFEDHO CCCN(C(=O)NCC#CCN(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001479623899 1062636386 /nfs/dbraw/zinc/63/63/86/1062636386.db2.gz UFKXNEUAEXTYAP-NRFANRHFSA-N 1 3 370.541 2.638 20 30 FFEDHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC001464601894 1062709816 /nfs/dbraw/zinc/70/98/16/1062709816.db2.gz BKYZRUQLOOTWCT-HXUWFJFHSA-N 1 3 356.514 2.570 20 30 FFEDHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC001464601894 1062709831 /nfs/dbraw/zinc/70/98/31/1062709831.db2.gz BKYZRUQLOOTWCT-HXUWFJFHSA-N 1 3 356.514 2.570 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC001583966277 1079290062 /nfs/dbraw/zinc/29/00/62/1079290062.db2.gz JGUBUMZOXRDRMV-HXUWFJFHSA-N 1 3 356.514 2.569 20 30 FFEDHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C1 ZINC001583966277 1079290067 /nfs/dbraw/zinc/29/00/67/1079290067.db2.gz JGUBUMZOXRDRMV-HXUWFJFHSA-N 1 3 356.514 2.569 20 30 FFEDHO C#CCN(C)CCCNC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001564847987 1076664300 /nfs/dbraw/zinc/66/43/00/1076664300.db2.gz XSMXEGWARPYMLX-NRFANRHFSA-N 1 3 370.541 2.686 20 30 FFEDHO C#CCN(C)CCCNC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001564847987 1076664303 /nfs/dbraw/zinc/66/43/03/1076664303.db2.gz XSMXEGWARPYMLX-NRFANRHFSA-N 1 3 370.541 2.686 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000066599317 506568238 /nfs/dbraw/zinc/56/82/38/506568238.db2.gz JIDKHSNEVKWSOH-LJQANCHMSA-N 1 3 350.551 2.981 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000066599317 506568247 /nfs/dbraw/zinc/56/82/47/506568247.db2.gz JIDKHSNEVKWSOH-LJQANCHMSA-N 1 3 350.551 2.981 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(SCC#N)c1 ZINC000079539058 507972731 /nfs/dbraw/zinc/97/27/31/507972731.db2.gz IWLWZSABUIOAID-SFHVURJKSA-N 1 3 374.554 2.790 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(SCC#N)c1 ZINC000079539058 507972735 /nfs/dbraw/zinc/97/27/35/507972735.db2.gz IWLWZSABUIOAID-SFHVURJKSA-N 1 3 374.554 2.790 20 30 FFEDHO [NH2+]=C(NCc1ccccc1CN1CCC(O)CC1)NC1CCCCCC1 ZINC000092278472 508056348 /nfs/dbraw/zinc/05/63/48/508056348.db2.gz AWYVHMVLUFRKFB-UHFFFAOYSA-N 1 3 358.530 2.770 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000106271161 508398651 /nfs/dbraw/zinc/39/86/51/508398651.db2.gz UGIPSWBIQBBIEA-FQEVSTJZSA-N 1 3 358.530 2.937 20 30 FFEDHO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000264066360 509313571 /nfs/dbraw/zinc/31/35/71/509313571.db2.gz BJCSNBVOMPZLOE-QAPCUYQASA-N 1 3 359.518 2.560 20 30 FFEDHO C[C@@H](NC(=[NH2+])NCCCN1CCC(O)CC1)c1ccc(Cl)cc1Cl ZINC000264087995 509324364 /nfs/dbraw/zinc/32/43/64/509324364.db2.gz KCWRRENWZWHQEI-GFCCVEGCSA-N 1 3 373.328 2.806 20 30 FFEDHO C[NH+](C)CCCN(CCC#N)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264161558 509358172 /nfs/dbraw/zinc/35/81/72/509358172.db2.gz JGYUOOPFLAWSNI-UHFFFAOYSA-N 1 3 356.514 2.593 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267348969 509460233 /nfs/dbraw/zinc/46/02/33/509460233.db2.gz PFPJIROLIXJHIW-NQIIRXRSSA-N 1 3 370.541 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267348969 509460239 /nfs/dbraw/zinc/46/02/39/509460239.db2.gz PFPJIROLIXJHIW-NQIIRXRSSA-N 1 3 370.541 2.847 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249365279 509661560 /nfs/dbraw/zinc/66/15/60/509661560.db2.gz OITMZGQKRZWFFQ-PXNSSMCTSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249365279 509661563 /nfs/dbraw/zinc/66/15/63/509661563.db2.gz OITMZGQKRZWFFQ-PXNSSMCTSA-N 1 3 372.513 2.613 20 30 FFEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](CN(C)C)C3)sc2C1 ZINC000265182640 509907123 /nfs/dbraw/zinc/90/71/23/509907123.db2.gz WTMIVNTZHPITGH-CABCVRRESA-N 1 3 374.554 2.957 20 30 FFEDHO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](CN(C)C)C3)sc2C1 ZINC000265182640 509907134 /nfs/dbraw/zinc/90/71/34/509907134.db2.gz WTMIVNTZHPITGH-CABCVRRESA-N 1 3 374.554 2.957 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000187025554 510013192 /nfs/dbraw/zinc/01/31/92/510013192.db2.gz UZHRNOKGSFQLFN-YLJYHZDGSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000187025554 510013197 /nfs/dbraw/zinc/01/31/97/510013197.db2.gz UZHRNOKGSFQLFN-YLJYHZDGSA-N 1 3 372.513 2.613 20 30 FFEDHO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184746596 510496794 /nfs/dbraw/zinc/49/67/94/510496794.db2.gz ZXTZTCHKVUIABH-QYZOEREBSA-N 1 3 370.541 2.741 20 30 FFEDHO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331383 514096742 /nfs/dbraw/zinc/09/67/42/514096742.db2.gz QRLXMSBCZAEKBI-BZSNNMDCSA-N 1 3 361.555 2.973 20 30 FFEDHO C[NH+](C)CCCOC1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433360764 514471296 /nfs/dbraw/zinc/47/12/96/514471296.db2.gz BDNFMBPJPVGNME-IBGZPJMESA-N 1 3 357.498 2.718 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)C(C)C ZINC000480541537 514994024 /nfs/dbraw/zinc/99/40/24/514994024.db2.gz LVUWQGPDZJFZTK-XUVXKRRUSA-N 1 3 362.562 2.953 20 30 FFEDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472399971 515257834 /nfs/dbraw/zinc/25/78/34/515257834.db2.gz BAXZAEBHZNSRGT-PMACEKPBSA-N 1 3 352.482 2.867 20 30 FFEDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472399971 515257844 /nfs/dbraw/zinc/25/78/44/515257844.db2.gz BAXZAEBHZNSRGT-PMACEKPBSA-N 1 3 352.482 2.867 20 30 FFEDHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000482138030 515585331 /nfs/dbraw/zinc/58/53/31/515585331.db2.gz AYOQHRIOZPVLKM-ZVDOUQERSA-N 1 3 359.514 2.788 20 30 FFEDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000482138030 515585344 /nfs/dbraw/zinc/58/53/44/515585344.db2.gz AYOQHRIOZPVLKM-ZVDOUQERSA-N 1 3 359.514 2.788 20 30 FFEDHO Cc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1C#N ZINC000488429642 516223047 /nfs/dbraw/zinc/22/30/47/516223047.db2.gz MKVNLIPWZGNSKY-UHFFFAOYSA-N 1 3 370.541 2.783 20 30 FFEDHO N#CCCCOc1cccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000531758847 516625043 /nfs/dbraw/zinc/62/50/43/516625043.db2.gz SJLXJZXULFNTLT-NHCUHLMSSA-N 1 3 357.498 2.837 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1scc(C)c1C#N ZINC000565164138 518818915 /nfs/dbraw/zinc/81/89/15/518818915.db2.gz SRAJEILVDILDON-OAHLLOKOSA-N 1 3 363.531 2.808 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1scc(C)c1C#N ZINC000565164138 518818920 /nfs/dbraw/zinc/81/89/20/518818920.db2.gz SRAJEILVDILDON-OAHLLOKOSA-N 1 3 363.531 2.808 20 30 FFEDHO CC1CC[NH+](C2CCC(NCc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000571209451 518978821 /nfs/dbraw/zinc/97/88/21/518978821.db2.gz YFVAJDJTGHDOCY-UHFFFAOYSA-N 1 3 352.486 2.734 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)CC2)nc1 ZINC000591570720 519954535 /nfs/dbraw/zinc/95/45/35/519954535.db2.gz FOMPYWBXWIBASP-SLFFLAALSA-N 1 3 353.514 2.822 20 30 FFEDHO N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000594442707 519969312 /nfs/dbraw/zinc/96/93/12/519969312.db2.gz SQNUBPFFNVXNIP-AABGKKOBSA-N 1 3 356.514 2.596 20 30 FFEDHO CC(C)C[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)NCC[NH+](C)C ZINC000594503784 520006195 /nfs/dbraw/zinc/00/61/95/520006195.db2.gz BKXXXZKVBDKSPN-IBGZPJMESA-N 1 3 358.530 2.670 20 30 FFEDHO N#CC1(C[C@H](O)CNCc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000600713825 520414193 /nfs/dbraw/zinc/41/41/93/520414193.db2.gz FRVIIHIEXUUNDZ-NRFANRHFSA-N 1 3 371.525 2.833 20 30 FFEDHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](O)CC3(C#N)CC3)CC2)cc1 ZINC000600723113 520424880 /nfs/dbraw/zinc/42/48/80/520424880.db2.gz VTBBZGLUHSEVBC-IBGZPJMESA-N 1 3 357.498 2.552 20 30 FFEDHO C[C@H](CCNC[C@H](O)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000600725024 520427060 /nfs/dbraw/zinc/42/70/60/520427060.db2.gz AKEFRTCHARMUPH-UYAOXDASSA-N 1 3 359.514 2.558 20 30 FFEDHO C[C@H](CCNC[C@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600725024 520427069 /nfs/dbraw/zinc/42/70/69/520427069.db2.gz AKEFRTCHARMUPH-UYAOXDASSA-N 1 3 359.514 2.558 20 30 FFEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000602499331 521382861 /nfs/dbraw/zinc/38/28/61/521382861.db2.gz JWHMRBVMZMNNDK-GOSISDBHSA-N 1 3 371.525 2.832 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000602540077 521402946 /nfs/dbraw/zinc/40/29/46/521402946.db2.gz VOYAXFGEWJSXNK-SFHVURJKSA-N 1 3 359.514 2.858 20 30 FFEDHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000602552769 521408437 /nfs/dbraw/zinc/40/84/37/521408437.db2.gz PRRRWOIENBDJCY-GJZGRUSLSA-N 1 3 357.285 2.733 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000602596957 521430975 /nfs/dbraw/zinc/43/09/75/521430975.db2.gz OMQBSCRJCMFZLK-GHTZIAJQSA-N 1 3 371.525 2.832 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000602596957 521430981 /nfs/dbraw/zinc/43/09/81/521430981.db2.gz OMQBSCRJCMFZLK-GHTZIAJQSA-N 1 3 371.525 2.832 20 30 FFEDHO CC[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261976016 729656096 /nfs/dbraw/zinc/65/60/96/729656096.db2.gz NRFIYTUFWZRAMZ-PXNSSMCTSA-N 1 3 350.551 2.575 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000876708391 732270870 /nfs/dbraw/zinc/27/08/70/732270870.db2.gz OOVSISXPFSRNCS-AWEZNQCLSA-N 1 3 363.893 2.787 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000876896793 732293684 /nfs/dbraw/zinc/29/36/84/732293684.db2.gz MVLIWUZFJLYONI-SFHVURJKSA-N 1 3 361.917 2.971 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000876896793 732293687 /nfs/dbraw/zinc/29/36/87/732293687.db2.gz MVLIWUZFJLYONI-SFHVURJKSA-N 1 3 361.917 2.971 20 30 FFEDHO CC(C)[NH2+][C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000731033196 734663190 /nfs/dbraw/zinc/66/31/90/734663190.db2.gz XATIXYICLYCTFY-HUUCEWRRSA-N 1 3 356.495 2.935 20 30 FFEDHO CC(C)[NH2+]C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000731032148 734663371 /nfs/dbraw/zinc/66/33/71/734663371.db2.gz UMQNNIOCGUFLEZ-OAHLLOKOSA-N 1 3 356.495 2.935 20 30 FFEDHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1ccccc1C#N ZINC001104294308 962377953 /nfs/dbraw/zinc/37/79/53/962377953.db2.gz IVPXFFSPVNNWQH-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCNC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccc2ccccc2c1 ZINC001270368840 965004290 /nfs/dbraw/zinc/00/42/90/965004290.db2.gz IYCUGLQFXDUUQP-FDFHNCONSA-N 1 3 363.505 2.950 20 30 FFEDHO C#CCNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccc2ccccc2c1 ZINC001270368840 965004302 /nfs/dbraw/zinc/00/43/02/965004302.db2.gz IYCUGLQFXDUUQP-FDFHNCONSA-N 1 3 363.505 2.950 20 30 FFEDHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087212647 966575783 /nfs/dbraw/zinc/57/57/83/966575783.db2.gz KMEHVGCEAVWTDQ-LQWHRVPQSA-N 1 3 368.525 2.617 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211690667 975371657 /nfs/dbraw/zinc/37/16/57/975371657.db2.gz HIBMGTZERWESNK-BHDDXSALSA-N 1 3 369.553 2.960 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C(F)(F)F ZINC001112211994 980222281 /nfs/dbraw/zinc/22/22/81/980222281.db2.gz HPBFUODAIAWCEC-IAGOWNOFSA-N 1 3 369.431 2.917 20 30 FFEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000129653423 981209591 /nfs/dbraw/zinc/20/95/91/981209591.db2.gz BCLIOEUONKLFMF-OOMBGRCJSA-N 1 3 361.489 2.967 20 30 FFEDHO N#CC1(c2ccccc2)CC(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000129653423 981209595 /nfs/dbraw/zinc/20/95/95/981209595.db2.gz BCLIOEUONKLFMF-OOMBGRCJSA-N 1 3 361.489 2.967 20 30 FFEDHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000997596704 985582474 /nfs/dbraw/zinc/58/24/74/985582474.db2.gz NDMNXUDSDXDPCT-CSODHUTKSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000997596704 985582483 /nfs/dbraw/zinc/58/24/83/985582483.db2.gz NDMNXUDSDXDPCT-CSODHUTKSA-N 1 3 368.525 2.615 20 30 FFEDHO C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495875 987767271 /nfs/dbraw/zinc/76/72/71/987767271.db2.gz RRCDKVOKBCXNQN-BHIYHBOVSA-N 1 3 365.562 2.810 20 30 FFEDHO C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495875 987767276 /nfs/dbraw/zinc/76/72/76/987767276.db2.gz RRCDKVOKBCXNQN-BHIYHBOVSA-N 1 3 365.562 2.810 20 30 FFEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666722 988609011 /nfs/dbraw/zinc/60/90/11/988609011.db2.gz RNUXZTLQXFRUHU-SIIHOXLZSA-N 1 3 359.917 2.636 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001080992358 993542998 /nfs/dbraw/zinc/54/29/98/993542998.db2.gz HAZSFRRTSDYOPW-DBXWQHBBSA-N 1 3 353.510 2.529 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]2C)CC1 ZINC001080992358 993543006 /nfs/dbraw/zinc/54/30/06/993543006.db2.gz HAZSFRRTSDYOPW-DBXWQHBBSA-N 1 3 353.510 2.529 20 30 FFEDHO Cc1cc(F)c(C#N)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000880991261 1016064815 /nfs/dbraw/zinc/06/48/15/1016064815.db2.gz VJTMHYNNQKSGBF-UHFFFAOYSA-N 1 3 373.476 2.686 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C)c2)CC1 ZINC001085432751 999517568 /nfs/dbraw/zinc/51/75/68/999517568.db2.gz OPEFDQVEOUILFS-FGZHOGPDSA-N 1 3 367.537 2.857 20 30 FFEDHO C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001186195963 1003215849 /nfs/dbraw/zinc/21/58/49/1003215849.db2.gz ANUSAYDBUMMODT-UYAOXDASSA-N 1 3 361.505 2.875 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCc2ccccn2)cc1 ZINC000104163043 1009929995 /nfs/dbraw/zinc/92/99/95/1009929995.db2.gz CEEWQOWVGCYPTO-IBGZPJMESA-N 1 3 367.497 2.549 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC2CCCC2)c1 ZINC000104193894 1009936144 /nfs/dbraw/zinc/93/61/44/1009936144.db2.gz NHJNAXWRRQPMAS-QGZVFWFLSA-N 1 3 374.529 2.905 20 30 FFEDHO CC1CCN(CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972076 1012141885 /nfs/dbraw/zinc/14/18/85/1012141885.db2.gz WBGSJGYAPJNAON-ROUUACIJSA-N 1 3 364.534 2.990 20 30 FFEDHO C#C[C@H]([NH2+]Cc1ccccc1N1CCN(CCC)CC1)C1CCOCC1 ZINC000827565035 1018495291 /nfs/dbraw/zinc/49/52/91/1018495291.db2.gz HSHDYRJWZGXTMC-NRFANRHFSA-N 1 3 355.526 2.737 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCCC2=CCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC001160175201 1027622292 /nfs/dbraw/zinc/62/22/92/1027622292.db2.gz FZAABZUTTQZPKZ-DYESRHJHSA-N 1 3 366.509 2.537 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCCC2=CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001160175201 1027622299 /nfs/dbraw/zinc/62/22/99/1027622299.db2.gz FZAABZUTTQZPKZ-DYESRHJHSA-N 1 3 366.509 2.537 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC(C)C)c1ccccc1OC ZINC000248628700 1027735578 /nfs/dbraw/zinc/73/55/78/1027735578.db2.gz GAOZMSAVSLEBFE-QFBILLFUSA-N 1 3 362.518 2.550 20 30 FFEDHO C=CCCCCC[C@H](N)C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161315923 1028130883 /nfs/dbraw/zinc/13/08/83/1028130883.db2.gz FQVTWSGFOTZHKU-LNLFQRSKSA-N 1 3 351.535 2.728 20 30 FFEDHO CN(C)C1(CNc2cccc(C3(C#N)CCOCC3)c2)CC[NH+](C)CC1 ZINC001164216743 1029207947 /nfs/dbraw/zinc/20/79/47/1029207947.db2.gz JRSARLIUMYOVIM-UHFFFAOYSA-N 1 3 356.514 2.696 20 30 FFEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1cccc(F)c1 ZINC001205439655 1031744822 /nfs/dbraw/zinc/74/48/22/1031744822.db2.gz DWQBUKYCAVHIBM-RBUKOAKNSA-N 1 3 356.445 2.642 20 30 FFEDHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001227166673 1034958105 /nfs/dbraw/zinc/95/81/05/1034958105.db2.gz WHHHFVLQMBVFJH-RTBURBONSA-N 1 3 356.514 2.806 20 30 FFEDHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC001228261871 1036021742 /nfs/dbraw/zinc/02/17/42/1036021742.db2.gz OEHBICZUBUSFEI-RTBURBONSA-N 1 3 360.477 2.556 20 30 FFEDHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001236083901 1037926639 /nfs/dbraw/zinc/92/66/39/1037926639.db2.gz XLDZRSHLKSBQOQ-UHFFFAOYSA-N 1 3 350.466 2.688 20 30 FFEDHO CCCCCCCC[C@@H](O)CN1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246043125 1039210761 /nfs/dbraw/zinc/21/07/61/1039210761.db2.gz ABGCRUSEGCOZKJ-QWFCFKBJSA-N 1 3 354.535 2.573 20 30 FFEDHO C=CCC[C@@H](O)C[NH+]1CCC2(C[C@@H](COC)N(Cc3ccccn3)C2)CC1 ZINC001252595865 1039605575 /nfs/dbraw/zinc/60/55/75/1039605575.db2.gz KTEBRWFNUBLXSV-LEWJYISDSA-N 1 3 373.541 2.712 20 30 FFEDHO CSc1nc(CN2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278842897 1041163389 /nfs/dbraw/zinc/16/33/89/1041163389.db2.gz GDYOSDUUQNBIRW-FQEVSTJZSA-N 1 3 373.570 2.525 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1Cc1ccc(C#N)cc1 ZINC001264071365 1042613100 /nfs/dbraw/zinc/61/31/00/1042613100.db2.gz DPKDVFJKMAIVHW-LEWJYISDSA-N 1 3 368.525 2.903 20 30 FFEDHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)on1 ZINC001280064105 1044156168 /nfs/dbraw/zinc/15/61/68/1044156168.db2.gz IKZCGWGHMWNHRM-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO Cc1cc(C[N@H+]2C[C@@H]3CCN(Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)on1 ZINC001280064105 1044156174 /nfs/dbraw/zinc/15/61/74/1044156174.db2.gz IKZCGWGHMWNHRM-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001317036495 1045057710 /nfs/dbraw/zinc/05/77/10/1045057710.db2.gz FRVIPPZRNOUCLA-BAGYTPMASA-N 1 3 367.537 2.549 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CN(C)CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001317036495 1045057719 /nfs/dbraw/zinc/05/77/19/1045057719.db2.gz FRVIPPZRNOUCLA-BAGYTPMASA-N 1 3 367.537 2.549 20 30 FFEDHO N#CCCC[C@H](N)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001341465747 1051821621 /nfs/dbraw/zinc/82/16/21/1051821621.db2.gz LRXGFGODPRPHCV-IBGZPJMESA-N 1 3 354.498 2.621 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001343932778 1052496640 /nfs/dbraw/zinc/49/66/40/1052496640.db2.gz MGGRTRNTJWFOCD-HCXYKTFWSA-N 1 3 353.551 2.952 20 30 FFEDHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)CC1 ZINC000848413488 1059967156 /nfs/dbraw/zinc/96/71/56/1059967156.db2.gz GOSJOYUSVXSMGE-FQEVSTJZSA-N 1 3 371.529 2.814 20 30 FFEDHO N#CC1(C[C@@H](O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC001560155028 1076237405 /nfs/dbraw/zinc/23/74/05/1076237405.db2.gz ZBRQHDJDPXDEOT-QHAWAJNXSA-N 1 3 353.510 2.885 20 30 FFEDHO N#CC1(C[C@@H](O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC001560155028 1076237410 /nfs/dbraw/zinc/23/74/10/1076237410.db2.gz ZBRQHDJDPXDEOT-QHAWAJNXSA-N 1 3 353.510 2.885 20 30 FFEDHO N#CC1(C[C@H](O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC001560155027 1076237664 /nfs/dbraw/zinc/23/76/64/1076237664.db2.gz ZBRQHDJDPXDEOT-HKBOAZHASA-N 1 3 353.510 2.885 20 30 FFEDHO N#CC1(C[C@H](O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC001560155027 1076237671 /nfs/dbraw/zinc/23/76/71/1076237671.db2.gz ZBRQHDJDPXDEOT-HKBOAZHASA-N 1 3 353.510 2.885 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNCc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001569669942 1077158013 /nfs/dbraw/zinc/15/80/13/1077158013.db2.gz YPFNOBNSUYIETD-TUNNFDKTSA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(CNCc3ccccc3C#N)C2)CC[N@H+]1C ZINC001569669942 1077158015 /nfs/dbraw/zinc/15/80/15/1077158015.db2.gz YPFNOBNSUYIETD-TUNNFDKTSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050798936 507713531 /nfs/dbraw/zinc/71/35/31/507713531.db2.gz XTTKCMRGJSWVEL-UHFFFAOYSA-N 1 3 357.498 2.540 20 30 FFEDHO CN(CCC#N)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000377625222 512361046 /nfs/dbraw/zinc/36/10/46/512361046.db2.gz IGOYFMOOUWPUND-JOCHJYFZSA-N 1 3 369.557 2.637 20 30 FFEDHO CN(CCC#N)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000377625222 512361051 /nfs/dbraw/zinc/36/10/51/512361051.db2.gz IGOYFMOOUWPUND-JOCHJYFZSA-N 1 3 369.557 2.637 20 30 FFEDHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052208392 507802043 /nfs/dbraw/zinc/80/20/43/507802043.db2.gz LLMXIYKKPKDGOP-HXUWFJFHSA-N 1 3 359.514 2.742 20 30 FFEDHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052208392 507802045 /nfs/dbraw/zinc/80/20/45/507802045.db2.gz LLMXIYKKPKDGOP-HXUWFJFHSA-N 1 3 359.514 2.742 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000126207855 509071614 /nfs/dbraw/zinc/07/16/14/509071614.db2.gz HPIYDAXJPKPLOO-SFHVURJKSA-N 1 3 350.551 2.694 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000126207855 509071616 /nfs/dbraw/zinc/07/16/16/509071616.db2.gz HPIYDAXJPKPLOO-SFHVURJKSA-N 1 3 350.551 2.694 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247873190 509183709 /nfs/dbraw/zinc/18/37/09/509183709.db2.gz XYLVZYQDPOSMKH-KSZLIROESA-N 1 3 350.551 2.693 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247873190 509183713 /nfs/dbraw/zinc/18/37/13/509183713.db2.gz XYLVZYQDPOSMKH-KSZLIROESA-N 1 3 350.551 2.693 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176092394 509320446 /nfs/dbraw/zinc/32/04/46/509320446.db2.gz XXKBOJOMHWSDED-KRWDZBQOSA-N 1 3 361.465 2.577 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176092394 509320452 /nfs/dbraw/zinc/32/04/52/509320452.db2.gz XXKBOJOMHWSDED-KRWDZBQOSA-N 1 3 361.465 2.577 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000163455941 509377101 /nfs/dbraw/zinc/37/71/01/509377101.db2.gz VBFZXEGGARBQAZ-QFIPXVFZSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000163455941 509377113 /nfs/dbraw/zinc/37/71/13/509377113.db2.gz VBFZXEGGARBQAZ-QFIPXVFZSA-N 1 3 353.510 2.503 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000177904344 510317194 /nfs/dbraw/zinc/31/71/94/510317194.db2.gz DULJYIDSXRKFKD-QGZVFWFLSA-N 1 3 361.465 2.577 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000177904344 510317201 /nfs/dbraw/zinc/31/72/01/510317201.db2.gz DULJYIDSXRKFKD-QGZVFWFLSA-N 1 3 361.465 2.577 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175477152 510660216 /nfs/dbraw/zinc/66/02/16/510660216.db2.gz YWIPBBGRNGLCFW-SFHVURJKSA-N 1 3 358.530 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175477152 510660222 /nfs/dbraw/zinc/66/02/22/510660222.db2.gz YWIPBBGRNGLCFW-SFHVURJKSA-N 1 3 358.530 2.847 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000280270768 511400658 /nfs/dbraw/zinc/40/06/58/511400658.db2.gz CYDZOXIBFONJQV-WOJBJXKFSA-N 1 3 350.466 2.717 20 30 FFEDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000281289811 511791450 /nfs/dbraw/zinc/79/14/50/511791450.db2.gz JDIJODCCSMTPKQ-UHFFFAOYSA-N 1 3 360.527 2.855 20 30 FFEDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000281289811 511791455 /nfs/dbraw/zinc/79/14/55/511791455.db2.gz JDIJODCCSMTPKQ-UHFFFAOYSA-N 1 3 360.527 2.855 20 30 FFEDHO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415948765 513493906 /nfs/dbraw/zinc/49/39/06/513493906.db2.gz AOTVPYRLMZTFGL-UHFFFAOYSA-N 1 3 371.407 2.863 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417062951 514148668 /nfs/dbraw/zinc/14/86/68/514148668.db2.gz NAUUDIODXKVAIQ-PMACEKPBSA-N 1 3 362.562 2.716 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)C(C)C ZINC000417061293 514149299 /nfs/dbraw/zinc/14/92/99/514149299.db2.gz KUSSOGRQZIQOTN-LJQANCHMSA-N 1 3 362.562 2.860 20 30 FFEDHO N#CCCC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000433016443 514352338 /nfs/dbraw/zinc/35/23/38/514352338.db2.gz QUCCSZHYIOMTKC-FQEVSTJZSA-N 1 3 354.498 2.754 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424126058 514389228 /nfs/dbraw/zinc/38/92/28/514389228.db2.gz BBNCFENGFYHTPB-QKLQHJQFSA-N 1 3 356.514 2.802 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424126058 514389235 /nfs/dbraw/zinc/38/92/35/514389235.db2.gz BBNCFENGFYHTPB-QKLQHJQFSA-N 1 3 356.514 2.802 20 30 FFEDHO C=CCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000415139543 514464897 /nfs/dbraw/zinc/46/48/97/514464897.db2.gz ZURQRUJOSSLILW-GHTZIAJQSA-N 1 3 360.498 2.978 20 30 FFEDHO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000469780157 515961596 /nfs/dbraw/zinc/96/15/96/515961596.db2.gz NGMCDTLYQCNOIJ-KRWDZBQOSA-N 1 3 369.513 2.571 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)C(C)C ZINC000457740193 516113327 /nfs/dbraw/zinc/11/33/27/516113327.db2.gz HGJTXKBXRQGXLE-RTBURBONSA-N 1 3 350.551 2.809 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)C(C)C ZINC000457740193 516113332 /nfs/dbraw/zinc/11/33/32/516113332.db2.gz HGJTXKBXRQGXLE-RTBURBONSA-N 1 3 350.551 2.809 20 30 FFEDHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000554969675 516727058 /nfs/dbraw/zinc/72/70/58/516727058.db2.gz QFOJBFHTVOUSSW-CQSZACIVSA-N 1 3 354.420 2.693 20 30 FFEDHO N#Cc1ccc(OC[C@H](O)CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000551961286 516990386 /nfs/dbraw/zinc/99/03/86/516990386.db2.gz VVEYSEUCTZIAJM-OAQYLSRUSA-N 1 3 365.477 2.684 20 30 FFEDHO CC(C)[N@H+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000525921768 517234821 /nfs/dbraw/zinc/23/48/21/517234821.db2.gz QWIQESAHQKCXIW-FQEVSTJZSA-N 1 3 352.482 2.819 20 30 FFEDHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000525921768 517234831 /nfs/dbraw/zinc/23/48/31/517234831.db2.gz QWIQESAHQKCXIW-FQEVSTJZSA-N 1 3 352.482 2.819 20 30 FFEDHO CC(C)N1CCN(CCC[NH+]2CCC(Nc3ccccc3C#N)CC2)CC1 ZINC000602896551 519957294 /nfs/dbraw/zinc/95/72/94/519957294.db2.gz UPPOGEUSHGNZDT-UHFFFAOYSA-N 1 3 369.557 2.851 20 30 FFEDHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594437408 519963720 /nfs/dbraw/zinc/96/37/20/519963720.db2.gz JPAXVTQCIOWDCX-HOJAQTOUSA-N 1 3 356.514 2.909 20 30 FFEDHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594437408 519963726 /nfs/dbraw/zinc/96/37/26/519963726.db2.gz JPAXVTQCIOWDCX-HOJAQTOUSA-N 1 3 356.514 2.909 20 30 FFEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000602691370 521481233 /nfs/dbraw/zinc/48/12/33/521481233.db2.gz SMQDXRKOZIMXLI-IBGZPJMESA-N 1 3 371.525 2.702 20 30 FFEDHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000619877153 521915584 /nfs/dbraw/zinc/91/55/84/521915584.db2.gz FNFUBJZVAASALO-SFHVURJKSA-N 1 3 356.514 2.713 20 30 FFEDHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000619877153 521915592 /nfs/dbraw/zinc/91/55/92/521915592.db2.gz FNFUBJZVAASALO-SFHVURJKSA-N 1 3 356.514 2.713 20 30 FFEDHO C[NH+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000732569126 734749503 /nfs/dbraw/zinc/74/95/03/734749503.db2.gz BPFULQIBBVDDMA-OAHLLOKOSA-N 1 3 356.495 2.746 20 30 FFEDHO N#Cc1ccc(Br)c(CNCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000921720779 738033101 /nfs/dbraw/zinc/03/31/01/738033101.db2.gz KCGQRMXKFAQOFF-MRXNPFEDSA-N 1 3 366.303 2.647 20 30 FFEDHO N#Cc1ccc(Br)c(CNCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000921720779 738033104 /nfs/dbraw/zinc/03/31/04/738033104.db2.gz KCGQRMXKFAQOFF-MRXNPFEDSA-N 1 3 366.303 2.647 20 30 FFEDHO C=C(Br)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849065069 749044565 /nfs/dbraw/zinc/04/45/65/749044565.db2.gz NRQDRTYEAKKBSL-UHFFFAOYSA-N 1 3 351.292 2.674 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3ccccc3C#N)C2)CC[N@@H+]1C ZINC001023994295 968405209 /nfs/dbraw/zinc/40/52/09/968405209.db2.gz DJLUTROAQVTZJJ-JRGCBEDISA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3ccccc3C#N)C2)CC[N@H+]1C ZINC001023994295 968405215 /nfs/dbraw/zinc/40/52/15/968405215.db2.gz DJLUTROAQVTZJJ-JRGCBEDISA-N 1 3 368.525 2.617 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1ccc(C#N)cc1 ZINC001087699957 968654138 /nfs/dbraw/zinc/65/41/38/968654138.db2.gz UKEHDHMCQHOGKT-LRGNLBRXSA-N 1 3 368.525 2.758 20 30 FFEDHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1ccc(C#N)cc1 ZINC001087699957 968654142 /nfs/dbraw/zinc/65/41/42/968654142.db2.gz UKEHDHMCQHOGKT-LRGNLBRXSA-N 1 3 368.525 2.758 20 30 FFEDHO C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681095 970091965 /nfs/dbraw/zinc/09/19/65/970091965.db2.gz DBGDBMAQMDMFCP-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681959 970094445 /nfs/dbraw/zinc/09/44/45/970094445.db2.gz UUBFELZFHXAESL-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C(F)(F)F ZINC001112175141 972543624 /nfs/dbraw/zinc/54/36/24/972543624.db2.gz MJEQAZTULCHFOB-OAGGEKHMSA-N 1 3 361.452 2.804 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001483228069 980153555 /nfs/dbraw/zinc/15/35/55/980153555.db2.gz GPJZMSOCWWUMGT-ZYSHUDEJSA-N 1 3 361.917 2.516 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001483228069 980153559 /nfs/dbraw/zinc/15/35/59/980153559.db2.gz GPJZMSOCWWUMGT-ZYSHUDEJSA-N 1 3 361.917 2.516 20 30 FFEDHO C#CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CC[NH+](C)CC1 ZINC000913890810 987004637 /nfs/dbraw/zinc/00/46/37/987004637.db2.gz BTEMIJUEPZMMME-SFHVURJKSA-N 1 3 374.554 2.624 20 30 FFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035801606 990561954 /nfs/dbraw/zinc/56/19/54/990561954.db2.gz BANXZLJWRLQKKS-RTWAWAEBSA-N 1 3 367.537 2.832 20 30 FFEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035801606 990561959 /nfs/dbraw/zinc/56/19/59/990561959.db2.gz BANXZLJWRLQKKS-RTWAWAEBSA-N 1 3 367.537 2.832 20 30 FFEDHO C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042250 1015928712 /nfs/dbraw/zinc/92/87/12/1015928712.db2.gz SOWZYOUZFQRKLK-JRGCBEDISA-N 1 3 355.526 2.836 20 30 FFEDHO C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042250 1015928721 /nfs/dbraw/zinc/92/87/21/1015928721.db2.gz SOWZYOUZFQRKLK-JRGCBEDISA-N 1 3 355.526 2.836 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001084850169 997659864 /nfs/dbraw/zinc/65/98/64/997659864.db2.gz NKDYFMFAQJEIHK-STZQEDGTSA-N 1 3 365.521 2.626 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C[C@H]32)CC1 ZINC001084850169 997659867 /nfs/dbraw/zinc/65/98/67/997659867.db2.gz NKDYFMFAQJEIHK-STZQEDGTSA-N 1 3 365.521 2.626 20 30 FFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941186 998231902 /nfs/dbraw/zinc/23/19/02/998231902.db2.gz UGSAPEYIOFHRBV-DYXWJJEUSA-N 1 3 357.542 2.587 20 30 FFEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC001084941186 998231911 /nfs/dbraw/zinc/23/19/11/998231911.db2.gz UGSAPEYIOFHRBV-DYXWJJEUSA-N 1 3 357.542 2.587 20 30 FFEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033184 998723724 /nfs/dbraw/zinc/72/37/24/998723724.db2.gz URSYRPUNTOUJBD-UWVAXJGDSA-N 1 3 351.510 2.698 20 30 FFEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033184 998723727 /nfs/dbraw/zinc/72/37/27/998723727.db2.gz URSYRPUNTOUJBD-UWVAXJGDSA-N 1 3 351.510 2.698 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C)C2)CC1 ZINC001086882223 1001299947 /nfs/dbraw/zinc/29/99/47/1001299947.db2.gz HHUVODFLSIPRSJ-SIKLNZKXSA-N 1 3 367.537 2.715 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2C)CC[N@@H+]1C ZINC001092618279 1003314469 /nfs/dbraw/zinc/31/44/69/1003314469.db2.gz HVRKUFXGECZHNO-VVWQDTPRSA-N 1 3 374.554 2.534 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2C)CC[N@H+]1C ZINC001092618279 1003314481 /nfs/dbraw/zinc/31/44/81/1003314481.db2.gz HVRKUFXGECZHNO-VVWQDTPRSA-N 1 3 374.554 2.534 20 30 FFEDHO C=C(C)CCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743091 1004720402 /nfs/dbraw/zinc/72/04/02/1004720402.db2.gz URLRRDRUODIKQA-LMMKCTJWSA-N 1 3 359.514 2.749 20 30 FFEDHO C=C(C)CCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198743091 1004720406 /nfs/dbraw/zinc/72/04/06/1004720406.db2.gz URLRRDRUODIKQA-LMMKCTJWSA-N 1 3 359.514 2.749 20 30 FFEDHO N#CC1(C[C@@H](O)CNC2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000863551744 1010252096 /nfs/dbraw/zinc/25/20/96/1010252096.db2.gz QMKFGPSGROAJKP-HXUWFJFHSA-N 1 3 363.546 2.692 20 30 FFEDHO N#CC1(C[C@@H](O)C[NH2+]C2CCN(CC3CCCCC3)CC2)CCOCC1 ZINC000863551744 1010252107 /nfs/dbraw/zinc/25/21/07/1010252107.db2.gz QMKFGPSGROAJKP-HXUWFJFHSA-N 1 3 363.546 2.692 20 30 FFEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094585481 1011310777 /nfs/dbraw/zinc/31/07/77/1011310777.db2.gz YAMXQXNWDBNUPD-IFMALSPDSA-N 1 3 353.510 2.746 20 30 FFEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094585481 1011310788 /nfs/dbraw/zinc/31/07/88/1011310788.db2.gz YAMXQXNWDBNUPD-IFMALSPDSA-N 1 3 353.510 2.746 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(COCC(F)(F)F)cc1 ZINC000303783830 1012427232 /nfs/dbraw/zinc/42/72/32/1012427232.db2.gz ONGHVVVDAROFBH-MRXNPFEDSA-N 1 3 372.435 2.654 20 30 FFEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303873318 1012476056 /nfs/dbraw/zinc/47/60/56/1012476056.db2.gz CMNVHDJOLCUGMO-UHFFFAOYSA-N 1 3 357.546 2.561 20 30 FFEDHO CCOc1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1OC(F)F ZINC000305030900 1013033214 /nfs/dbraw/zinc/03/32/14/1013033214.db2.gz QXSVYNYSHQEMON-AWEZNQCLSA-N 1 3 370.444 2.575 20 30 FFEDHO C[C@@H]1CCN(Cc2cc(C#N)cc(CN3CCO[C@H](C)CC3)c2)CCO1 ZINC000932337428 1020776623 /nfs/dbraw/zinc/77/66/23/1020776623.db2.gz RYUGPGYFOKTZGV-QZTJIDSGSA-N 1 3 357.498 2.780 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1C(F)(F)F ZINC001099306736 1022266681 /nfs/dbraw/zinc/26/66/81/1022266681.db2.gz QSMNXXRGRKKOLJ-IAGOWNOFSA-N 1 3 369.431 2.569 20 30 FFEDHO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001122401768 1023246843 /nfs/dbraw/zinc/24/68/43/1023246843.db2.gz FMUJNHMPJIGBNQ-DLBZAZTESA-N 1 3 360.550 2.582 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001121566545 1023852388 /nfs/dbraw/zinc/85/23/88/1023852388.db2.gz DZRLVAMCWVLRFG-GOSISDBHSA-N 1 3 372.561 2.728 20 30 FFEDHO N#Cc1cccc(-c2cc(C(F)(F)N[C@H](N)CCC[NH3+])cnc2Cl)c1 ZINC001159789995 1027498495 /nfs/dbraw/zinc/49/84/95/1027498495.db2.gz ZLULCCYADYWYSK-HNNXBMFYSA-N 1 3 365.815 2.936 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001103751668 1028136666 /nfs/dbraw/zinc/13/66/66/1028136666.db2.gz LTBZVNWVJHIMHQ-WBWXQYNJSA-N 1 3 359.558 2.762 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001103751668 1028136670 /nfs/dbraw/zinc/13/66/70/1028136670.db2.gz LTBZVNWVJHIMHQ-WBWXQYNJSA-N 1 3 359.558 2.762 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(C#N)c1)C2 ZINC001111948983 1029787535 /nfs/dbraw/zinc/78/75/35/1029787535.db2.gz HUECCUKGRCZAHU-UNMCSNQZSA-N 1 3 368.525 2.761 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1CN(Cc1cccc(C#N)c1)C2 ZINC001111948983 1029787542 /nfs/dbraw/zinc/78/75/42/1029787542.db2.gz HUECCUKGRCZAHU-UNMCSNQZSA-N 1 3 368.525 2.761 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C(F)(F)F ZINC001112213458 1030255273 /nfs/dbraw/zinc/25/52/73/1030255273.db2.gz LMNYRPDGMVKSBW-BZUAXINKSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001205654258 1031909579 /nfs/dbraw/zinc/90/95/79/1031909579.db2.gz YZQZARIFNZHMEU-XKGZKEIXSA-N 1 3 359.489 2.770 20 30 FFEDHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001229808145 1036911577 /nfs/dbraw/zinc/91/15/77/1036911577.db2.gz NFABGTSDQBDRMW-NHCUHLMSSA-N 1 3 355.526 2.787 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCC2CCC2)CC1 ZINC001230252048 1037178001 /nfs/dbraw/zinc/17/80/01/1037178001.db2.gz YCDOMLDWVYCTKN-NHCUHLMSSA-N 1 3 359.558 2.929 20 30 FFEDHO C[NH2+]Cc1cccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)c1F ZINC001244857587 1038799617 /nfs/dbraw/zinc/79/96/17/1038799617.db2.gz AKDYAVZLSOGBDO-AWEZNQCLSA-N 1 3 356.401 2.951 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)CC1 ZINC001537920392 1070291121 /nfs/dbraw/zinc/29/11/21/1070291121.db2.gz CTRQCOKKWWRJMG-OAQYLSRUSA-N 1 3 355.526 2.921 20 30 FFEDHO C=C(C)Cn1c(C2CC[NH+](C)CC2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001343428496 1052226879 /nfs/dbraw/zinc/22/68/79/1052226879.db2.gz MBPSVXVAZGBOHB-KRWDZBQOSA-N 1 3 360.550 2.584 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001343932780 1052496539 /nfs/dbraw/zinc/49/65/39/1052496539.db2.gz MGGRTRNTJWFOCD-OKYOBFRVSA-N 1 3 353.551 2.952 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C#N)ccc3F)CC2)CC1 ZINC000847528220 1055993741 /nfs/dbraw/zinc/99/37/41/1055993741.db2.gz DJMVFGKWXZJBSW-UHFFFAOYSA-N 1 3 372.488 2.510 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001500499674 1058505456 /nfs/dbraw/zinc/50/54/56/1058505456.db2.gz ZUCUMDULRQTSGQ-NQSCKRDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCCN(Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001500499674 1058505474 /nfs/dbraw/zinc/50/54/74/1058505474.db2.gz ZUCUMDULRQTSGQ-NQSCKRDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001516048115 1059941616 /nfs/dbraw/zinc/94/16/16/1059941616.db2.gz XCQYUMUTVIENOP-SFHVURJKSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001516048115 1059941637 /nfs/dbraw/zinc/94/16/37/1059941637.db2.gz XCQYUMUTVIENOP-SFHVURJKSA-N 1 3 360.550 2.584 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001477389393 1061686233 /nfs/dbraw/zinc/68/62/33/1061686233.db2.gz ABVDUBAJKBMRRO-LJQANCHMSA-N 1 3 370.541 2.815 20 30 FFEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001477389393 1061686242 /nfs/dbraw/zinc/68/62/42/1061686242.db2.gz ABVDUBAJKBMRRO-LJQANCHMSA-N 1 3 370.541 2.815 20 30 FFEDHO C#CC[C@@]1(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC001574525774 1078008900 /nfs/dbraw/zinc/00/89/00/1078008900.db2.gz RXPDEJQRWPVQOX-KRWDZBQOSA-N 1 3 353.388 2.851 20 30 FFEDHO CCCC[C@@H](ON=C(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000375237397 512225259 /nfs/dbraw/zinc/22/52/59/512225259.db2.gz NSJKWSNBXFRUCN-LJQANCHMSA-N 1 3 366.550 2.632 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000066599318 506568091 /nfs/dbraw/zinc/56/80/91/506568091.db2.gz JIDKHSNEVKWSOH-IBGZPJMESA-N 1 3 350.551 2.981 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000066599318 506568095 /nfs/dbraw/zinc/56/80/95/506568095.db2.gz JIDKHSNEVKWSOH-IBGZPJMESA-N 1 3 350.551 2.981 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000057138293 507183478 /nfs/dbraw/zinc/18/34/78/507183478.db2.gz RAGMDPMZBNHEQQ-UHFFFAOYSA-N 1 3 353.510 2.634 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000106275085 508398727 /nfs/dbraw/zinc/39/87/27/508398727.db2.gz FWWVDQXLFMXYKZ-UHFFFAOYSA-N 1 3 370.541 2.944 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000106275295 508398944 /nfs/dbraw/zinc/39/89/44/508398944.db2.gz VTCCPYMFLJBBQQ-LJQANCHMSA-N 1 3 350.551 2.837 20 30 FFEDHO C[C@@H](C#N)Oc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000237483753 509659959 /nfs/dbraw/zinc/65/99/59/509659959.db2.gz NHIRKZRNMONEDG-KRWDZBQOSA-N 1 3 356.514 2.626 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 ZINC000184919822 510584741 /nfs/dbraw/zinc/58/47/41/510584741.db2.gz DLJKLIJPKBLKHX-UHFFFAOYSA-N 1 3 371.529 2.600 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000283653518 511449919 /nfs/dbraw/zinc/44/99/19/511449919.db2.gz JYRDDUVBDXNEPE-SFHVURJKSA-N 1 3 364.921 2.892 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000283653518 511449923 /nfs/dbraw/zinc/44/99/23/511449923.db2.gz JYRDDUVBDXNEPE-SFHVURJKSA-N 1 3 364.921 2.892 20 30 FFEDHO CC(C)C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000280760963 511591807 /nfs/dbraw/zinc/59/18/07/511591807.db2.gz CRJCLDPJENQPLW-VQTJNVASSA-N 1 3 352.482 2.867 20 30 FFEDHO C#CCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370706069 513062827 /nfs/dbraw/zinc/06/28/27/513062827.db2.gz AEZSOAXYTIPGHT-UGKGYDQZSA-N 1 3 355.526 2.547 20 30 FFEDHO C#CCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370706069 513062830 /nfs/dbraw/zinc/06/28/30/513062830.db2.gz AEZSOAXYTIPGHT-UGKGYDQZSA-N 1 3 355.526 2.547 20 30 FFEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C(C)C ZINC000417074285 514154949 /nfs/dbraw/zinc/15/49/49/514154949.db2.gz ZABUFZKYKZYTQP-PMACEKPBSA-N 1 3 362.562 2.859 20 30 FFEDHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000504852682 515394706 /nfs/dbraw/zinc/39/47/06/515394706.db2.gz OXMNYKKHYMCMHC-FQEVSTJZSA-N 1 3 373.545 2.608 20 30 FFEDHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481915594 515512955 /nfs/dbraw/zinc/51/29/55/515512955.db2.gz CKSYBKLUSUONBN-NRFANRHFSA-N 1 3 368.525 2.858 20 30 FFEDHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000482138026 515584282 /nfs/dbraw/zinc/58/42/82/515584282.db2.gz AYOQHRIOZPVLKM-QKNQBKEWSA-N 1 3 359.514 2.788 20 30 FFEDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000482138026 515584289 /nfs/dbraw/zinc/58/42/89/515584289.db2.gz AYOQHRIOZPVLKM-QKNQBKEWSA-N 1 3 359.514 2.788 20 30 FFEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460189247 516059330 /nfs/dbraw/zinc/05/93/30/516059330.db2.gz YWVMYIHLNMQESX-UHFFFAOYSA-N 1 3 370.541 2.961 20 30 FFEDHO N#Cc1ccccc1OC[C@H](O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000528421586 516423716 /nfs/dbraw/zinc/42/37/16/516423716.db2.gz RJUDBLMGKRDLPC-OAQYLSRUSA-N 1 3 371.525 2.886 20 30 FFEDHO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c(OC)c1 ZINC000573477765 518685547 /nfs/dbraw/zinc/68/55/47/518685547.db2.gz JQQGPKVFVCYPRC-IPMKNSEASA-N 1 3 362.514 2.626 20 30 FFEDHO C[C@@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000573713154 518800552 /nfs/dbraw/zinc/80/05/52/518800552.db2.gz UBGKYKJXHMGEQW-QGZVFWFLSA-N 1 3 363.527 2.576 20 30 FFEDHO C[C@@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000573713154 518800557 /nfs/dbraw/zinc/80/05/57/518800557.db2.gz UBGKYKJXHMGEQW-QGZVFWFLSA-N 1 3 363.527 2.576 20 30 FFEDHO C[NH+](C)C1CCN(CCNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589315474 518979844 /nfs/dbraw/zinc/97/98/44/518979844.db2.gz RAIYZIJIAMJXGT-UHFFFAOYSA-N 1 3 354.420 2.693 20 30 FFEDHO CCN1CCN(CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000574680081 519275671 /nfs/dbraw/zinc/27/56/71/519275671.db2.gz QUBHJUMOFOFTBQ-UHFFFAOYSA-N 1 3 354.420 2.694 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C#N)CCCCC3)CC2)CC1 ZINC000598315086 520553193 /nfs/dbraw/zinc/55/31/93/520553193.db2.gz INVLYBYVLHZHGL-UHFFFAOYSA-N 1 3 360.546 2.773 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596676948 521209562 /nfs/dbraw/zinc/20/95/62/521209562.db2.gz KMAHZGBKPBLSHG-LJQANCHMSA-N 1 3 371.529 2.504 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000596676948 521209568 /nfs/dbraw/zinc/20/95/68/521209568.db2.gz KMAHZGBKPBLSHG-LJQANCHMSA-N 1 3 371.529 2.504 20 30 FFEDHO [NH2+]=C(NCc1ccc(Cl)cn1)NC1CCN(Cc2ccccc2)CC1 ZINC000263115776 729680009 /nfs/dbraw/zinc/68/00/09/729680009.db2.gz BYKTYCSMSDVWBN-UHFFFAOYSA-N 1 3 357.889 2.804 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876974853 732305902 /nfs/dbraw/zinc/30/59/02/732305902.db2.gz VQFAYIVUNWLLGS-MSOLQXFVSA-N 1 3 361.917 2.875 20 30 FFEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876974853 732305905 /nfs/dbraw/zinc/30/59/05/732305905.db2.gz VQFAYIVUNWLLGS-MSOLQXFVSA-N 1 3 361.917 2.875 20 30 FFEDHO CC(C)[N@@H+]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728927578 734549663 /nfs/dbraw/zinc/54/96/63/734549663.db2.gz DZMFIUKKJJPBHN-OAHLLOKOSA-N 1 3 356.495 2.889 20 30 FFEDHO CC(C)[N@H+]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728927578 734549668 /nfs/dbraw/zinc/54/96/68/734549668.db2.gz DZMFIUKKJJPBHN-OAHLLOKOSA-N 1 3 356.495 2.889 20 30 FFEDHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001104322504 963284570 /nfs/dbraw/zinc/28/45/70/963284570.db2.gz NYWPAXYGYMIQHF-UIFIKXQLSA-N 1 3 370.541 2.719 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1c1ccccc1 ZINC001211642959 969721145 /nfs/dbraw/zinc/72/11/45/969721145.db2.gz VQUIVXYNNJOSRA-FCHUYYIVSA-N 1 3 367.537 2.858 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1c1ccccc1 ZINC001211642959 969721148 /nfs/dbraw/zinc/72/11/48/969721148.db2.gz VQUIVXYNNJOSRA-FCHUYYIVSA-N 1 3 367.537 2.858 20 30 FFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106869 972829861 /nfs/dbraw/zinc/82/98/61/972829861.db2.gz VAIUPFYJIIVBRW-FUHIMQAGSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106869 972829870 /nfs/dbraw/zinc/82/98/70/972829870.db2.gz VAIUPFYJIIVBRW-FUHIMQAGSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CC[C@]1(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CCC[NH2+]1 ZINC000662801445 974124841 /nfs/dbraw/zinc/12/48/41/974124841.db2.gz IXKMYKPAPINMLY-OAQYLSRUSA-N 1 3 356.514 2.854 20 30 FFEDHO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000303906513 974164596 /nfs/dbraw/zinc/16/45/96/974164596.db2.gz WDXKQIBEIZVWIT-OAQYLSRUSA-N 1 3 366.509 2.956 20 30 FFEDHO CCN1CCN(Cc2ccc(CNC(=[NH2+])N3CCCCCC3)cc2)CC1 ZINC000305081871 974221493 /nfs/dbraw/zinc/22/14/93/974221493.db2.gz SOBWMKPBNZDZJP-UHFFFAOYSA-N 1 3 357.546 2.515 20 30 FFEDHO C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CCN1Cc1ccc(C#N)cc1 ZINC001088709801 975430278 /nfs/dbraw/zinc/43/02/78/975430278.db2.gz WVHGJMNKPMELEF-QRWLVFNGSA-N 1 3 359.433 2.599 20 30 FFEDHO C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088709801 975430283 /nfs/dbraw/zinc/43/02/83/975430283.db2.gz WVHGJMNKPMELEF-QRWLVFNGSA-N 1 3 359.433 2.599 20 30 FFEDHO C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088709801 975430285 /nfs/dbraw/zinc/43/02/85/975430285.db2.gz WVHGJMNKPMELEF-QRWLVFNGSA-N 1 3 359.433 2.599 20 30 FFEDHO CO[C@@H]1[C@@H](C)[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000263181701 980542552 /nfs/dbraw/zinc/54/25/52/980542552.db2.gz VMZSKTDXMVJXLP-KFKAGJAMSA-N 1 3 358.530 2.615 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1F ZINC001079311133 992012825 /nfs/dbraw/zinc/01/28/25/992012825.db2.gz QNUSVCCCYMCLSV-XKGZKEIXSA-N 1 3 359.489 2.628 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]2C)CC1 ZINC001080997627 993547244 /nfs/dbraw/zinc/54/72/44/993547244.db2.gz HHYXBEJLXHKYJJ-WIYYLYMNSA-N 1 3 371.569 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]2C)CC1 ZINC001080997627 993547247 /nfs/dbraw/zinc/54/72/47/993547247.db2.gz HHYXBEJLXHKYJJ-WIYYLYMNSA-N 1 3 371.569 2.739 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001080998318 993549032 /nfs/dbraw/zinc/54/90/32/993549032.db2.gz YOBWDRYFAOFFHP-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001080998318 993549037 /nfs/dbraw/zinc/54/90/37/993549037.db2.gz YOBWDRYFAOFFHP-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCC4CCCC4)C[C@H]32)CC1 ZINC001084851103 997644339 /nfs/dbraw/zinc/64/43/39/997644339.db2.gz MXKFVCIJWAKWBR-FGZHOGPDSA-N 1 3 371.569 2.835 20 30 FFEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCC4CCCC4)C[C@H]32)CC1 ZINC001084851103 997644342 /nfs/dbraw/zinc/64/43/42/997644342.db2.gz MXKFVCIJWAKWBR-FGZHOGPDSA-N 1 3 371.569 2.835 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092604929 1003215297 /nfs/dbraw/zinc/21/52/97/1003215297.db2.gz QWENPFOTNVWMDC-FCEUIQTBSA-N 1 3 367.537 2.595 20 30 FFEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1C ZINC001092604929 1003215308 /nfs/dbraw/zinc/21/53/08/1003215308.db2.gz QWENPFOTNVWMDC-FCEUIQTBSA-N 1 3 367.537 2.595 20 30 FFEDHO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001189135885 1006922396 /nfs/dbraw/zinc/92/23/96/1006922396.db2.gz QSPLDPMGEQOETE-QKLQHJQFSA-N 1 3 351.510 2.698 20 30 FFEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001189135885 1006922403 /nfs/dbraw/zinc/92/24/03/1006922403.db2.gz QSPLDPMGEQOETE-QKLQHJQFSA-N 1 3 351.510 2.698 20 30 FFEDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)CC1 ZINC000817413728 1007592158 /nfs/dbraw/zinc/59/21/58/1007592158.db2.gz BZXRQCWFPQYELT-LJQANCHMSA-N 1 3 370.541 2.969 20 30 FFEDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)CC1 ZINC000817413728 1007592169 /nfs/dbraw/zinc/59/21/69/1007592169.db2.gz BZXRQCWFPQYELT-LJQANCHMSA-N 1 3 370.541 2.969 20 30 FFEDHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001181999966 1010338946 /nfs/dbraw/zinc/33/89/46/1010338946.db2.gz CIMBFANHBVDJFZ-LJQANCHMSA-N 1 3 354.498 2.535 20 30 FFEDHO CC[N@H+]1CCCC[C@@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001181999966 1010338957 /nfs/dbraw/zinc/33/89/57/1010338957.db2.gz CIMBFANHBVDJFZ-LJQANCHMSA-N 1 3 354.498 2.535 20 30 FFEDHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNCc1ccccc1C#N ZINC001093835818 1010606276 /nfs/dbraw/zinc/60/62/76/1010606276.db2.gz LABPZVNFVANUOA-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CNCc1ccccc1C#N ZINC001093835818 1010606281 /nfs/dbraw/zinc/60/62/81/1010606281.db2.gz LABPZVNFVANUOA-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000865536200 1010809075 /nfs/dbraw/zinc/80/90/75/1010809075.db2.gz YDEVDPSUEQUAMQ-MRXNPFEDSA-N 1 3 367.419 2.577 20 30 FFEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094582788 1011265928 /nfs/dbraw/zinc/26/59/28/1011265928.db2.gz XMQOTZDODJHMLW-IFMALSPDSA-N 1 3 353.510 2.746 20 30 FFEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094582788 1011265937 /nfs/dbraw/zinc/26/59/37/1011265937.db2.gz XMQOTZDODJHMLW-IFMALSPDSA-N 1 3 353.510 2.746 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000303874396 1012478844 /nfs/dbraw/zinc/47/88/44/1012478844.db2.gz DAWQUIXUIJUYQW-QGZVFWFLSA-N 1 3 371.460 2.902 20 30 FFEDHO COc1ccc(CNC(=[NH2+])NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1OC ZINC000303897891 1012506996 /nfs/dbraw/zinc/50/69/96/1012506996.db2.gz VGURCPUIWLDTJE-YWZLYKJASA-N 1 3 362.518 2.619 20 30 FFEDHO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000925439191 1017741430 /nfs/dbraw/zinc/74/14/30/1017741430.db2.gz RYMSZIGERAIMNE-KRWDZBQOSA-N 1 3 356.514 2.930 20 30 FFEDHO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCNC2 ZINC001218551838 1033216838 /nfs/dbraw/zinc/21/68/38/1033216838.db2.gz AJTYFDFXLUMMDO-HNNXBMFYSA-N 1 3 374.897 2.688 20 30 FFEDHO N#Cc1c(NC(=O)c2ccccc2C2CC[NH2+]CC2)sc2c1CCNC2 ZINC001218551867 1033217206 /nfs/dbraw/zinc/21/72/06/1033217206.db2.gz BOQZERUEQUNWFP-UHFFFAOYSA-N 1 3 366.490 2.985 20 30 FFEDHO N#Cc1c(NC(=O)[C@@H]2C[NH2+]C[C@@H](c3ccccc3)C2)sc2c1CCNC2 ZINC001218554967 1033219458 /nfs/dbraw/zinc/21/94/58/1033219458.db2.gz XKUXENOEJXMVOG-GJZGRUSLSA-N 1 3 366.490 2.597 20 30 FFEDHO C#CCN(C)CCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000838624307 1026443452 /nfs/dbraw/zinc/44/34/52/1026443452.db2.gz QTOUYYCIBICYDW-UHFFFAOYSA-N 1 3 356.514 2.792 20 30 FFEDHO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434177 1027474881 /nfs/dbraw/zinc/47/48/81/1027474881.db2.gz SGXHPMRABDSYCN-RZUBCFFCSA-N 1 3 367.537 2.597 20 30 FFEDHO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CCNC(=O)CN1CCC[C@@H]1C ZINC001103434177 1027474893 /nfs/dbraw/zinc/47/48/93/1027474893.db2.gz SGXHPMRABDSYCN-RZUBCFFCSA-N 1 3 367.537 2.597 20 30 FFEDHO CC(C)[NH+]1CCC(CNc2nccnc2C(C#N)C(=O)OC(C)(C)C)CC1 ZINC001156502063 1029222039 /nfs/dbraw/zinc/22/20/39/1029222039.db2.gz GHLWTEHDFKKWEN-INIZCTEOSA-N 1 3 373.501 2.958 20 30 FFEDHO C[NH2+]Cc1cccc(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)c1 ZINC001167033946 1030621061 /nfs/dbraw/zinc/62/10/61/1030621061.db2.gz XBOJDVCLYSVXAO-HNNXBMFYSA-N 1 3 353.426 2.888 20 30 FFEDHO C[C@@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCN(Cc2ccccc2)C1 ZINC000843406894 1031385325 /nfs/dbraw/zinc/38/53/25/1031385325.db2.gz MRPJYDQYRJRBPL-NRFANRHFSA-N 1 3 360.465 2.603 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205415323 1031727924 /nfs/dbraw/zinc/72/79/24/1031727924.db2.gz OIHXAVJIAYJTCM-QHAWAJNXSA-N 1 3 371.500 2.607 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cccc(F)c1 ZINC001205415323 1031727931 /nfs/dbraw/zinc/72/79/31/1031727931.db2.gz OIHXAVJIAYJTCM-QHAWAJNXSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccccc1F ZINC001205626098 1031883533 /nfs/dbraw/zinc/88/35/33/1031883533.db2.gz WTFGTPZAGZIWQA-SXLOBPIMSA-N 1 3 361.505 2.872 20 30 FFEDHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223962162 1033663159 /nfs/dbraw/zinc/66/31/59/1033663159.db2.gz JDPXGIFSJZHRNG-RTWAWAEBSA-N 1 3 368.525 2.713 20 30 FFEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccc(C#N)c3)[C@H]2C1 ZINC001223962162 1033663171 /nfs/dbraw/zinc/66/31/71/1033663171.db2.gz JDPXGIFSJZHRNG-RTWAWAEBSA-N 1 3 368.525 2.713 20 30 FFEDHO Cn1cccc1CN[C@]12CC[C@]([NH2+]Cc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001278518659 1040876952 /nfs/dbraw/zinc/87/69/52/1040876952.db2.gz WAXGWPHTFNIZRO-LEWJYISDSA-N 1 3 351.498 2.960 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001317036496 1045056172 /nfs/dbraw/zinc/05/61/72/1045056172.db2.gz FRVIPPZRNOUCLA-CEMLEFRQSA-N 1 3 367.537 2.549 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](CN(C)CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001317036496 1045056185 /nfs/dbraw/zinc/05/61/85/1045056185.db2.gz FRVIPPZRNOUCLA-CEMLEFRQSA-N 1 3 367.537 2.549 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1 ZINC001326866570 1047116842 /nfs/dbraw/zinc/11/68/42/1047116842.db2.gz UWGJFDKSZIKXDN-UHFFFAOYSA-N 1 3 370.541 2.863 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001316667421 1050654620 /nfs/dbraw/zinc/65/46/20/1050654620.db2.gz VEEQVDJNAFSNBY-IRFCIJBXSA-N 1 3 361.574 2.888 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001342156983 1050749788 /nfs/dbraw/zinc/74/97/88/1050749788.db2.gz VQPBIWSLBJRONI-RDGPPVDQSA-N 1 3 353.551 2.809 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001346670265 1053204293 /nfs/dbraw/zinc/20/42/93/1053204293.db2.gz GXBAURXWKMSDMH-SFHVURJKSA-N 1 3 372.561 2.728 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001346670265 1053204301 /nfs/dbraw/zinc/20/43/01/1053204301.db2.gz GXBAURXWKMSDMH-SFHVURJKSA-N 1 3 372.561 2.728 20 30 FFEDHO N#Cc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000849101487 1056760370 /nfs/dbraw/zinc/76/03/70/1056760370.db2.gz CYDKVMQZSJNYNV-UHFFFAOYSA-N 1 3 365.456 2.976 20 30 FFEDHO COc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1OCCCC#N ZINC001579216081 1078591493 /nfs/dbraw/zinc/59/14/93/1078591493.db2.gz BIRJONKNWPQFMB-HNNXBMFYSA-N 1 3 353.413 2.712 20 30 FFEDHO CC[NH+](CC)CCOC1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000072694678 507843924 /nfs/dbraw/zinc/84/39/24/507843924.db2.gz DSUGFEDYJLIIQF-UHFFFAOYSA-N 1 3 372.513 2.710 20 30 FFEDHO C[NH+]1CCC(CNc2c(C#N)nnc3ccccc32)(N2CCCCC2)CC1 ZINC000078457692 507872996 /nfs/dbraw/zinc/87/29/96/507872996.db2.gz ZFWWVNGSMWQPEF-UHFFFAOYSA-N 1 3 364.497 2.864 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000079198762 507943044 /nfs/dbraw/zinc/94/30/44/507943044.db2.gz UQTVPBVMOZMLCH-UHFFFAOYSA-N 1 3 371.529 2.506 20 30 FFEDHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000074710530 508049687 /nfs/dbraw/zinc/04/96/87/508049687.db2.gz PMXSESRXJMEYCE-UHFFFAOYSA-N 1 3 371.529 2.506 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000106334428 508399426 /nfs/dbraw/zinc/39/94/26/508399426.db2.gz QZNROOASERPKAB-XLIONFOSSA-N 1 3 350.551 2.837 20 30 FFEDHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000150999435 508937576 /nfs/dbraw/zinc/93/75/76/508937576.db2.gz TVISTPFKXQFGPD-UHFFFAOYSA-N 1 3 356.514 2.618 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000264336001 509464343 /nfs/dbraw/zinc/46/43/43/509464343.db2.gz GVMKGVJGBQVYCX-UHFFFAOYSA-N 1 3 356.514 2.554 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000264399654 509505574 /nfs/dbraw/zinc/50/55/74/509505574.db2.gz ZEJOCYZDGOBLIY-UHFFFAOYSA-N 1 3 362.493 2.549 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000175477173 510659916 /nfs/dbraw/zinc/65/99/16/510659916.db2.gz YWIPBBGRNGLCFW-GOSISDBHSA-N 1 3 358.530 2.847 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175477173 510659922 /nfs/dbraw/zinc/65/99/22/510659922.db2.gz YWIPBBGRNGLCFW-GOSISDBHSA-N 1 3 358.530 2.847 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000178809311 510784561 /nfs/dbraw/zinc/78/45/61/510784561.db2.gz SEFMBQOKAAXGAE-KRWDZBQOSA-N 1 3 371.529 2.557 20 30 FFEDHO N#Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1F ZINC000421348617 513231752 /nfs/dbraw/zinc/23/17/52/513231752.db2.gz WOAMZEOJOZIDSP-FQEVSTJZSA-N 1 3 353.441 2.944 20 30 FFEDHO N#Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000421348617 513231759 /nfs/dbraw/zinc/23/17/59/513231759.db2.gz WOAMZEOJOZIDSP-FQEVSTJZSA-N 1 3 353.441 2.944 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424126051 514390268 /nfs/dbraw/zinc/39/02/68/514390268.db2.gz BBNCFENGFYHTPB-FUHIMQAGSA-N 1 3 356.514 2.802 20 30 FFEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCC#N)C1 ZINC000424126051 514390270 /nfs/dbraw/zinc/39/02/70/514390270.db2.gz BBNCFENGFYHTPB-FUHIMQAGSA-N 1 3 356.514 2.802 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1scc(C)c1C#N ZINC000565164123 518819320 /nfs/dbraw/zinc/81/93/20/518819320.db2.gz SRAJEILVDILDON-HNNXBMFYSA-N 1 3 363.531 2.808 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1scc(C)c1C#N ZINC000565164123 518819326 /nfs/dbraw/zinc/81/93/26/518819326.db2.gz SRAJEILVDILDON-HNNXBMFYSA-N 1 3 363.531 2.808 20 30 FFEDHO C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317426 519097649 /nfs/dbraw/zinc/09/76/49/519097649.db2.gz VOPDPCHDMVUUTI-GXRSIYKFSA-N 1 3 360.542 2.772 20 30 FFEDHO C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000574317426 519097654 /nfs/dbraw/zinc/09/76/54/519097654.db2.gz VOPDPCHDMVUUTI-GXRSIYKFSA-N 1 3 360.542 2.772 20 30 FFEDHO N#Cc1ccccc1OC[C@H](O)CNCc1ccccc1C[NH+]1CCCC1 ZINC000600713455 520414553 /nfs/dbraw/zinc/41/45/53/520414553.db2.gz AGBONNWNXPYNBE-OAQYLSRUSA-N 1 3 365.477 2.684 20 30 FFEDHO COc1ccc(CN2CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC2)cc1 ZINC000598721060 520809519 /nfs/dbraw/zinc/80/95/19/520809519.db2.gz RAQFHOODPZNUKZ-LJQANCHMSA-N 1 3 359.514 2.798 20 30 FFEDHO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596689255 521222990 /nfs/dbraw/zinc/22/29/90/521222990.db2.gz IBAALQZDJWTGSO-DLBZAZTESA-N 1 3 359.518 2.533 20 30 FFEDHO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596689255 521222999 /nfs/dbraw/zinc/22/29/99/521222999.db2.gz IBAALQZDJWTGSO-DLBZAZTESA-N 1 3 359.518 2.533 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)cc1 ZINC000104159849 728500679 /nfs/dbraw/zinc/50/06/79/728500679.db2.gz KBFNWUNSJJTCFL-CQSZACIVSA-N 1 3 358.408 2.516 20 30 FFEDHO C[NH+](C)[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000759978429 736607821 /nfs/dbraw/zinc/60/78/21/736607821.db2.gz VLVIRLBQDRXLTK-CABCVRRESA-N 1 3 356.495 2.889 20 30 FFEDHO C[N@@H+]1CC[C@@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000795340249 740005845 /nfs/dbraw/zinc/00/58/45/740005845.db2.gz ZGRYUUWKTRFPOX-IFXJQAMLSA-N 1 3 354.479 2.500 20 30 FFEDHO C[N@H+]1CC[C@@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000795340249 740005849 /nfs/dbraw/zinc/00/58/49/740005849.db2.gz ZGRYUUWKTRFPOX-IFXJQAMLSA-N 1 3 354.479 2.500 20 30 FFEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305067399 1013075020 /nfs/dbraw/zinc/07/50/20/1013075020.db2.gz NKGXDQONIJCOFI-UHFFFAOYSA-N 1 3 357.546 2.515 20 30 FFEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4[C@@H](C3)[C@@H]4N(C)C)sc2C1 ZINC001175070393 1013384104 /nfs/dbraw/zinc/38/41/04/1013384104.db2.gz SPWCKKOTHZFPDB-NALNUFGESA-N 1 3 372.538 2.565 20 30 FFEDHO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4[C@@H](C3)[C@@H]4N(C)C)sc2C1 ZINC001175070393 1013384114 /nfs/dbraw/zinc/38/41/14/1013384114.db2.gz SPWCKKOTHZFPDB-NALNUFGESA-N 1 3 372.538 2.565 20 30 FFEDHO C=CCc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(OC)c1O ZINC000650723019 967602610 /nfs/dbraw/zinc/60/26/10/967602610.db2.gz GIJJOYKSOGFGHA-GUDVDZBRSA-N 1 3 360.498 2.990 20 30 FFEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000305744242 1014154318 /nfs/dbraw/zinc/15/43/18/1014154318.db2.gz LIDPYDKMYLERPY-UHFFFAOYSA-N 1 3 371.573 2.951 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000178564465 977347358 /nfs/dbraw/zinc/34/73/58/977347358.db2.gz SFFLYPSTUSHGQO-KRWDZBQOSA-N 1 3 360.502 2.531 20 30 FFEDHO [NH2+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000261613246 977363241 /nfs/dbraw/zinc/36/32/41/977363241.db2.gz GFWWCYPQLMOVAS-ZCNNSNEGSA-N 1 3 368.525 2.513 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403452 986144119 /nfs/dbraw/zinc/14/41/19/986144119.db2.gz KNXIDNCYXCVQRM-XUVXKRRUSA-N 1 3 367.578 2.750 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212403452 986144129 /nfs/dbraw/zinc/14/41/29/986144129.db2.gz KNXIDNCYXCVQRM-XUVXKRRUSA-N 1 3 367.578 2.750 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079154754 991856739 /nfs/dbraw/zinc/85/67/39/991856739.db2.gz UMWSSEXXNUUWFN-QHAWAJNXSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079154754 991856748 /nfs/dbraw/zinc/85/67/48/991856748.db2.gz UMWSSEXXNUUWFN-QHAWAJNXSA-N 1 3 371.500 2.607 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC[C@H]1c1ccc(F)cc1 ZINC001079159173 991862603 /nfs/dbraw/zinc/86/26/03/991862603.db2.gz NECMXWADSSOJMV-LSTHTHJFSA-N 1 3 359.489 2.770 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001107036689 993285936 /nfs/dbraw/zinc/28/59/36/993285936.db2.gz PKHUXCMJOIYOTR-CEMLEFRQSA-N 1 3 367.537 2.597 20 30 FFEDHO C#CCNC(=O)C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000769024349 1000408740 /nfs/dbraw/zinc/40/87/40/1000408740.db2.gz DGPYAOUXOTVIQR-UHFFFAOYSA-N 1 3 355.526 2.606 20 30 FFEDHO C#CCNC(=O)C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000769024349 1000408743 /nfs/dbraw/zinc/40/87/43/1000408743.db2.gz DGPYAOUXOTVIQR-UHFFFAOYSA-N 1 3 355.526 2.606 20 30 FFEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C2 ZINC001109561873 1000646121 /nfs/dbraw/zinc/64/61/21/1000646121.db2.gz SCDCEOKJDMCZCI-AABGKKOBSA-N 1 3 363.546 2.565 20 30 FFEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109561873 1000646125 /nfs/dbraw/zinc/64/61/25/1000646125.db2.gz SCDCEOKJDMCZCI-AABGKKOBSA-N 1 3 363.546 2.565 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001092605259 1003216403 /nfs/dbraw/zinc/21/64/03/1003216403.db2.gz YKMSTOXVDNZVMD-DUXKGJEZSA-N 1 3 368.525 2.615 20 30 FFEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001092605259 1003216408 /nfs/dbraw/zinc/21/64/08/1003216408.db2.gz YKMSTOXVDNZVMD-DUXKGJEZSA-N 1 3 368.525 2.615 20 30 FFEDHO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000815145677 1006530272 /nfs/dbraw/zinc/53/02/72/1006530272.db2.gz BRQYUEPXQDLLBX-FOIQADDNSA-N 1 3 368.506 2.890 20 30 FFEDHO C[N@H+]1CCC[C@@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000815145677 1006530281 /nfs/dbraw/zinc/53/02/81/1006530281.db2.gz BRQYUEPXQDLLBX-FOIQADDNSA-N 1 3 368.506 2.890 20 30 FFEDHO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000815145678 1006530475 /nfs/dbraw/zinc/53/04/75/1006530475.db2.gz BRQYUEPXQDLLBX-MGPUTAFESA-N 1 3 368.506 2.890 20 30 FFEDHO C[N@H+]1CCC[C@@]2(CCN(CC(=O)C(C#N)c3nc4ccccc4s3)C2)C1 ZINC000815145678 1006530483 /nfs/dbraw/zinc/53/04/83/1006530483.db2.gz BRQYUEPXQDLLBX-MGPUTAFESA-N 1 3 368.506 2.890 20 30 FFEDHO C=CCCC[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001276338316 1011943482 /nfs/dbraw/zinc/94/34/82/1011943482.db2.gz HZWVTYDKSITABG-UNMCSNQZSA-N 1 3 355.526 2.832 20 30 FFEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001276338316 1011943489 /nfs/dbraw/zinc/94/34/89/1011943489.db2.gz HZWVTYDKSITABG-UNMCSNQZSA-N 1 3 355.526 2.832 20 30 FFEDHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172976442 1012146391 /nfs/dbraw/zinc/14/63/91/1012146391.db2.gz PSWSAIXCFHOBNK-JCECYMMASA-N 1 3 362.518 2.883 20 30 FFEDHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C2 ZINC001172976442 1012146399 /nfs/dbraw/zinc/14/63/99/1012146399.db2.gz PSWSAIXCFHOBNK-JCECYMMASA-N 1 3 362.518 2.883 20 30 FFEDHO C#CCOc1ccccc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397623057 1020292883 /nfs/dbraw/zinc/29/28/83/1020292883.db2.gz WVKSVBYPYWYPAP-UHFFFAOYSA-N 1 3 364.489 2.815 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C(F)(F)F ZINC001099346106 1022338618 /nfs/dbraw/zinc/33/86/18/1022338618.db2.gz HSTIDOOPXYDFDJ-HZPDHXFCSA-N 1 3 355.404 2.527 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC001120504259 1023343436 /nfs/dbraw/zinc/34/34/36/1023343436.db2.gz JSHBBYAJLZMKOP-GOSISDBHSA-N 1 3 362.562 2.838 20 30 FFEDHO N#Cc1c(NC(=O)[C@H]2CC[NH2+]C[C@H]2c2ccccc2)sc2c1CCNC2 ZINC001218552828 1033217601 /nfs/dbraw/zinc/21/76/01/1033217601.db2.gz KOVVTPJDRSBFCT-RDJZCZTQSA-N 1 3 366.490 2.597 20 30 FFEDHO N#Cc1ccc(-c2cc(C(F)(F)N[C@@H](N)CCC[NH3+])cnc2Cl)cc1 ZINC001159789973 1027498445 /nfs/dbraw/zinc/49/84/45/1027498445.db2.gz ZEEIBNOFSWORDY-OAHLLOKOSA-N 1 3 365.815 2.936 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001103752702 1028137926 /nfs/dbraw/zinc/13/79/26/1028137926.db2.gz VKNMPIGTGRQQJX-WIYYLYMNSA-N 1 3 361.574 2.842 20 30 FFEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001103752702 1028137937 /nfs/dbraw/zinc/13/79/37/1028137937.db2.gz VKNMPIGTGRQQJX-WIYYLYMNSA-N 1 3 361.574 2.842 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C(F)(F)F ZINC001112137043 1030084983 /nfs/dbraw/zinc/08/49/83/1030084983.db2.gz QUEDIPOTOYBFBD-HUUCEWRRSA-N 1 3 361.452 2.663 20 30 FFEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1cccc(F)c1 ZINC001205434983 1031743746 /nfs/dbraw/zinc/74/37/46/1031743746.db2.gz YCZFFUCOINABOY-FFZOFVMBSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CC[C@@H]1CCCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000829799128 1033345430 /nfs/dbraw/zinc/34/54/30/1033345430.db2.gz KLXYHNFFLCQCLH-WOJBJXKFSA-N 1 3 367.537 2.891 20 30 FFEDHO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277734381 1036154394 /nfs/dbraw/zinc/15/43/94/1036154394.db2.gz JSAWJPXFIMGLEH-CTNGQTDRSA-N 1 3 367.578 2.584 20 30 FFEDHO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001277734381 1036154406 /nfs/dbraw/zinc/15/44/06/1036154406.db2.gz JSAWJPXFIMGLEH-CTNGQTDRSA-N 1 3 367.578 2.584 20 30 FFEDHO N#Cc1ccc2c(c1)c(CC[NH3+])cn2C1CCC(N2CCOCC2)CC1 ZINC001256684177 1038601621 /nfs/dbraw/zinc/60/16/21/1038601621.db2.gz NMFUXIWXLXQKKD-UHFFFAOYSA-N 1 3 352.482 2.830 20 30 FFEDHO C=CCOCc1ncn2c1CN(C1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC001256858968 1038637621 /nfs/dbraw/zinc/63/76/21/1038637621.db2.gz GQKHZBXNZGIYRN-UHFFFAOYSA-N 1 3 367.497 2.855 20 30 FFEDHO C[C@@H]1C[C@@H](N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)CC[NH2+]1 ZINC001246764412 1039471071 /nfs/dbraw/zinc/47/10/71/1039471071.db2.gz KGIWOFSFVQQMFV-BVYCBKJFSA-N 1 3 368.525 2.618 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434861 1040547605 /nfs/dbraw/zinc/54/76/05/1040547605.db2.gz NRRTUSPRKUTSSH-GUDVDZBRSA-N 1 3 353.551 2.669 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434611 1040550457 /nfs/dbraw/zinc/55/04/57/1040550457.db2.gz ITRAFYLLUUCAML-CEXWTWQISA-N 1 3 355.567 2.893 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001213655422 1040763696 /nfs/dbraw/zinc/76/36/96/1040763696.db2.gz PROAMACOQDNIIF-WOJBJXKFSA-N 1 3 365.562 2.669 20 30 FFEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001279227019 1042954265 /nfs/dbraw/zinc/95/42/65/1042954265.db2.gz SIXGVUHXBQGQBS-NRFANRHFSA-N 1 3 358.505 2.937 20 30 FFEDHO Cc1nc(CN2C[C@@H]3CC[N@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)co1 ZINC001279384482 1043041188 /nfs/dbraw/zinc/04/11/88/1043041188.db2.gz HPSJBSNZDIRUAD-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO Cc1nc(CN2C[C@@H]3CC[N@@H+](Cc4cc(C#N)n(C)c4)CC[C@@H]3C2)co1 ZINC001279384482 1043041192 /nfs/dbraw/zinc/04/11/92/1043041192.db2.gz HPSJBSNZDIRUAD-HDICACEKSA-N 1 3 353.470 2.537 20 30 FFEDHO C#CCOc1ccc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)cc1 ZINC001279594870 1043312005 /nfs/dbraw/zinc/31/20/05/1043312005.db2.gz DZLYMEBYTFTQDE-JOCHJYFZSA-N 1 3 355.526 2.548 20 30 FFEDHO C#CCOc1ccc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)cc1 ZINC001279594870 1043312012 /nfs/dbraw/zinc/31/20/12/1043312012.db2.gz DZLYMEBYTFTQDE-JOCHJYFZSA-N 1 3 355.526 2.548 20 30 FFEDHO C#CCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C1CC[NH+](C)CC1 ZINC001311570675 1043939245 /nfs/dbraw/zinc/93/92/45/1043939245.db2.gz HGJGDWLXYDDGFB-OAQYLSRUSA-N 1 3 370.541 2.591 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC001335439142 1053363843 /nfs/dbraw/zinc/36/38/43/1053363843.db2.gz AWOWTZCOHFTXJR-QGZVFWFLSA-N 1 3 351.288 2.560 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001351859691 1055033984 /nfs/dbraw/zinc/03/39/84/1055033984.db2.gz AUSVRKLGJZNSLC-GOSISDBHSA-N 1 3 372.561 2.728 20 30 FFEDHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001351859691 1055033998 /nfs/dbraw/zinc/03/39/98/1055033998.db2.gz AUSVRKLGJZNSLC-GOSISDBHSA-N 1 3 372.561 2.728 20 30 FFEDHO C#C[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000848236014 1059443869 /nfs/dbraw/zinc/44/38/69/1059443869.db2.gz RINBEWZNIGOCTH-NRFANRHFSA-N 1 3 353.510 2.673 20 30 FFEDHO C=CCCCCn1c([C@@H]2CCC[NH2+]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001574921854 1078092931 /nfs/dbraw/zinc/09/29/31/1078092931.db2.gz LONDINNBKYGJFN-BZSNNMDCSA-N 1 3 360.550 2.978 20 30 FFEDHO C[C@@H]1CN(CC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)C[C@@H](C)O1 ZINC000369204025 512281006 /nfs/dbraw/zinc/28/10/06/512281006.db2.gz NDOPNQLGMRZLEL-RTBURBONSA-N 1 3 363.546 2.908 20 30 FFEDHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000047978365 507427285 /nfs/dbraw/zinc/42/72/85/507427285.db2.gz QTSBSWDMYRNUKA-FQEVSTJZSA-N 1 3 359.514 2.546 20 30 FFEDHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000047978366 507428286 /nfs/dbraw/zinc/42/82/86/507428286.db2.gz QTSBSWDMYRNUKA-HXUWFJFHSA-N 1 3 359.514 2.546 20 30 FFEDHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052208391 507802426 /nfs/dbraw/zinc/80/24/26/507802426.db2.gz LLMXIYKKPKDGOP-FQEVSTJZSA-N 1 3 359.514 2.742 20 30 FFEDHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000052208391 507802428 /nfs/dbraw/zinc/80/24/28/507802428.db2.gz LLMXIYKKPKDGOP-FQEVSTJZSA-N 1 3 359.514 2.742 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000079440482 507961962 /nfs/dbraw/zinc/96/19/62/507961962.db2.gz RDBQTZFMXFULTK-HXUWFJFHSA-N 1 3 371.529 2.612 20 30 FFEDHO CC(C)[C@](C)(C#N)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820867 508102393 /nfs/dbraw/zinc/10/23/93/508102393.db2.gz RCSHBRHJFPNUBD-NRFANRHFSA-N 1 3 371.529 2.674 20 30 FFEDHO CN(CCC#N)c1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000076763039 508251725 /nfs/dbraw/zinc/25/17/25/508251725.db2.gz PTKDQDGPTZZBSO-IBGZPJMESA-N 1 3 356.514 2.627 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000106340729 508399406 /nfs/dbraw/zinc/39/94/06/508399406.db2.gz YYYHKLZYJUULTL-UHFFFAOYSA-N 1 3 350.551 2.790 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000186769204 509893032 /nfs/dbraw/zinc/89/30/32/509893032.db2.gz WZEILBZDPQMBCR-JOCHJYFZSA-N 1 3 370.541 2.991 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000186769204 509893039 /nfs/dbraw/zinc/89/30/39/509893039.db2.gz WZEILBZDPQMBCR-JOCHJYFZSA-N 1 3 370.541 2.991 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)C(C)C ZINC000246050846 510265287 /nfs/dbraw/zinc/26/52/87/510265287.db2.gz YBNWAIGLDJQNIY-VAMGGRTRSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C(C)C ZINC000246050846 510265292 /nfs/dbraw/zinc/26/52/92/510265292.db2.gz YBNWAIGLDJQNIY-VAMGGRTRSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)CC1 ZINC000171907841 510445169 /nfs/dbraw/zinc/44/51/69/510445169.db2.gz NEHYVMRDLZFXPX-QGZVFWFLSA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000171907841 510445174 /nfs/dbraw/zinc/44/51/74/510445174.db2.gz NEHYVMRDLZFXPX-QGZVFWFLSA-N 1 3 350.551 2.837 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000172229887 510611714 /nfs/dbraw/zinc/61/17/14/510611714.db2.gz GAEMNRDCLBJLJN-FQEVSTJZSA-N 1 3 356.514 2.601 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000172229887 510611722 /nfs/dbraw/zinc/61/17/22/510611722.db2.gz GAEMNRDCLBJLJN-FQEVSTJZSA-N 1 3 356.514 2.601 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000279519372 511113805 /nfs/dbraw/zinc/11/38/05/511113805.db2.gz LQKFHQJHJSWAHP-IBGZPJMESA-N 1 3 350.466 2.717 20 30 FFEDHO CC(C)C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000280760975 511591694 /nfs/dbraw/zinc/59/16/94/511591694.db2.gz CRJCLDPJENQPLW-WOJBJXKFSA-N 1 3 352.482 2.867 20 30 FFEDHO N#Cc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1F ZINC000403986062 512968066 /nfs/dbraw/zinc/96/80/66/512968066.db2.gz CEVLJXPCLXGZOO-UHFFFAOYSA-N 1 3 353.441 2.814 20 30 FFEDHO N#CCNC(=O)CN1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459532053 515623894 /nfs/dbraw/zinc/62/38/94/515623894.db2.gz HVLYWPGRZFCSOH-OAQYLSRUSA-N 1 3 368.525 2.783 20 30 FFEDHO N#CCNC(=O)C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459532053 515623903 /nfs/dbraw/zinc/62/39/03/515623903.db2.gz HVLYWPGRZFCSOH-OAQYLSRUSA-N 1 3 368.525 2.783 20 30 FFEDHO N#CCNC(=O)C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459532053 515623914 /nfs/dbraw/zinc/62/39/14/515623914.db2.gz HVLYWPGRZFCSOH-OAQYLSRUSA-N 1 3 368.525 2.783 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000523763491 516572755 /nfs/dbraw/zinc/57/27/55/516572755.db2.gz JPQGBBGUHBPSSK-UHFFFAOYSA-N 1 3 362.562 2.933 20 30 FFEDHO CN1CCN(CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000558490736 516775754 /nfs/dbraw/zinc/77/57/54/516775754.db2.gz FJEULMNJJWTAKE-UHFFFAOYSA-N 1 3 354.420 2.694 20 30 FFEDHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594440547 519967533 /nfs/dbraw/zinc/96/75/33/519967533.db2.gz FCDRWXGLHSTBEE-YLJYHZDGSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594440547 519967541 /nfs/dbraw/zinc/96/75/41/519967541.db2.gz FCDRWXGLHSTBEE-YLJYHZDGSA-N 1 3 356.514 2.946 20 30 FFEDHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000594443777 519969460 /nfs/dbraw/zinc/96/94/60/519969460.db2.gz UPPZZPKQXRUGMM-MISYRCLQSA-N 1 3 356.514 2.815 20 30 FFEDHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594443777 519969465 /nfs/dbraw/zinc/96/94/65/519969465.db2.gz UPPZZPKQXRUGMM-MISYRCLQSA-N 1 3 356.514 2.815 20 30 FFEDHO N#Cc1ccccc1OC[C@H](O)CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000600718680 520421360 /nfs/dbraw/zinc/42/13/60/520421360.db2.gz QWFFYEZREDKBPD-OAQYLSRUSA-N 1 3 365.477 2.684 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000598217733 520499957 /nfs/dbraw/zinc/49/99/57/520499957.db2.gz AOHWXTYGKKLORL-OALUTQOASA-N 1 3 350.466 2.764 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000598217733 520499964 /nfs/dbraw/zinc/49/99/64/520499964.db2.gz AOHWXTYGKKLORL-OALUTQOASA-N 1 3 350.466 2.764 20 30 FFEDHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000610722144 520814552 /nfs/dbraw/zinc/81/45/52/520814552.db2.gz MROSQIGHBOVQBU-HXUWFJFHSA-N 1 3 371.529 2.506 20 30 FFEDHO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000596090396 520906538 /nfs/dbraw/zinc/90/65/38/520906538.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 1 3 366.513 2.559 20 30 FFEDHO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000596090396 520906545 /nfs/dbraw/zinc/90/65/45/520906545.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 1 3 366.513 2.559 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596640918 521183360 /nfs/dbraw/zinc/18/33/60/521183360.db2.gz QJYNWXTURFXSLB-ZDUSSCGKSA-N 1 3 351.882 2.605 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596640918 521183367 /nfs/dbraw/zinc/18/33/67/521183367.db2.gz QJYNWXTURFXSLB-ZDUSSCGKSA-N 1 3 351.882 2.605 20 30 FFEDHO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596693205 521225914 /nfs/dbraw/zinc/22/59/14/521225914.db2.gz TYPIBFWOGARELK-SFHVURJKSA-N 1 3 373.545 2.750 20 30 FFEDHO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596693205 521225922 /nfs/dbraw/zinc/22/59/22/521225922.db2.gz TYPIBFWOGARELK-SFHVURJKSA-N 1 3 373.545 2.750 20 30 FFEDHO CC[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@H](N2CCCCC2)C1 ZINC000086897029 728432459 /nfs/dbraw/zinc/43/24/59/728432459.db2.gz HGMVBWKTEMLTEC-KRWDZBQOSA-N 1 3 363.575 2.828 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC(F)(F)F ZINC000303880089 729735251 /nfs/dbraw/zinc/73/52/51/729735251.db2.gz KAUAPMXCITWSHI-AWEZNQCLSA-N 1 3 358.408 2.516 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CSc1ccccc1OC ZINC000303975473 729736102 /nfs/dbraw/zinc/73/61/02/729736102.db2.gz IZZKZAWKOVNLOQ-JKSUJKDBSA-N 1 3 364.559 2.812 20 30 FFEDHO C[NH+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000732569122 734749531 /nfs/dbraw/zinc/74/95/31/734749531.db2.gz BPFULQIBBVDDMA-HNNXBMFYSA-N 1 3 356.495 2.746 20 30 FFEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001105067279 971445325 /nfs/dbraw/zinc/44/53/25/971445325.db2.gz VDWWTZNHYWFSCY-NXHRZFHOSA-N 1 3 355.954 2.934 20 30 FFEDHO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1cc(F)ccc1F ZINC000262305168 971754604 /nfs/dbraw/zinc/75/46/04/971754604.db2.gz RGPOMDHDAZOQIX-QGZVFWFLSA-N 1 3 374.435 2.983 20 30 FFEDHO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660573064 972257398 /nfs/dbraw/zinc/25/73/98/972257398.db2.gz GAQVMKGWSQRKHH-XLIONFOSSA-N 1 3 362.562 2.979 20 30 FFEDHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001087181613 965292917 /nfs/dbraw/zinc/29/29/17/965292917.db2.gz ZYPVWQSDELOBMX-RVKKMQEKSA-N 1 3 362.543 2.677 20 30 FFEDHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087212648 966576515 /nfs/dbraw/zinc/57/65/15/966576515.db2.gz KMEHVGCEAVWTDQ-OPYAIIAOSA-N 1 3 368.525 2.617 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2CC)CC1 ZINC001087839934 970519189 /nfs/dbraw/zinc/51/91/89/970519189.db2.gz AUACZLYRTWJCGN-LEWJYISDSA-N 1 3 353.510 2.501 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2CC)CC1 ZINC001087839934 970519199 /nfs/dbraw/zinc/51/91/99/970519199.db2.gz AUACZLYRTWJCGN-LEWJYISDSA-N 1 3 353.510 2.501 20 30 FFEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106870 972828398 /nfs/dbraw/zinc/82/83/98/972828398.db2.gz VAIUPFYJIIVBRW-UWVAXJGDSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106870 972828407 /nfs/dbraw/zinc/82/84/07/972828407.db2.gz VAIUPFYJIIVBRW-UWVAXJGDSA-N 1 3 351.510 2.555 20 30 FFEDHO C=CC[C@]1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCC[NH2+]1 ZINC000662707311 975845058 /nfs/dbraw/zinc/84/50/58/975845058.db2.gz JFROHPWTVLVPII-OAQYLSRUSA-N 1 3 357.498 2.528 20 30 FFEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC[NH+]1CCCC1 ZINC000729347140 978247963 /nfs/dbraw/zinc/24/79/63/978247963.db2.gz MSOOHKYJYVSCBH-UHFFFAOYSA-N 1 3 356.514 2.715 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)ccc3C)[C@@H]2C)CC1 ZINC001089059744 986141219 /nfs/dbraw/zinc/14/12/19/986141219.db2.gz YWRUAUQSPPGYMU-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ccc3C)[C@@H]2C)CC1 ZINC001089059744 986141222 /nfs/dbraw/zinc/14/12/22/986141222.db2.gz YWRUAUQSPPGYMU-KNQAVFIVSA-N 1 3 367.537 2.728 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCc3ccccc3)[C@@H]2C)CC1 ZINC001089059997 986141577 /nfs/dbraw/zinc/14/15/77/986141577.db2.gz MQUGPKKRBYVEIH-KNQAVFIVSA-N 1 3 367.537 2.543 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCc3ccccc3)[C@@H]2C)CC1 ZINC001089059997 986141581 /nfs/dbraw/zinc/14/15/81/986141581.db2.gz MQUGPKKRBYVEIH-KNQAVFIVSA-N 1 3 367.537 2.543 20 30 FFEDHO Cc1cc(C#N)cc(C)c1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000921760864 986936354 /nfs/dbraw/zinc/93/63/54/986936354.db2.gz UBUOADXALWTWPO-UHFFFAOYSA-N 1 3 364.493 2.756 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497605 987782158 /nfs/dbraw/zinc/78/21/58/987782158.db2.gz QJPGIJRNEKGQQU-VAMGGRTRSA-N 1 3 367.578 2.893 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497605 987782161 /nfs/dbraw/zinc/78/21/61/987782161.db2.gz QJPGIJRNEKGQQU-VAMGGRTRSA-N 1 3 367.578 2.893 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3cccc(C#N)c3)CC2(C)C)CC[N@@H+]1C ZINC000940757130 992147624 /nfs/dbraw/zinc/14/76/24/992147624.db2.gz SKQYMFZZRAYZIT-NSISKUIASA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3cccc(C#N)c3)CC2(C)C)CC[N@H+]1C ZINC000940757130 992147627 /nfs/dbraw/zinc/14/76/27/992147627.db2.gz SKQYMFZZRAYZIT-NSISKUIASA-N 1 3 368.525 2.615 20 30 FFEDHO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001131558336 994393232 /nfs/dbraw/zinc/39/32/32/994393232.db2.gz VOXHSIBVIMMNGT-AQNXPRMDSA-N 1 3 365.562 2.525 20 30 FFEDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001086695193 995154390 /nfs/dbraw/zinc/15/43/90/995154390.db2.gz GMGXKNUEECCQDT-PWRODBHTSA-N 1 3 368.525 2.806 20 30 FFEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001086695439 995154473 /nfs/dbraw/zinc/15/44/73/995154473.db2.gz QVALOBJBYZDKQH-IOMROCGXSA-N 1 3 368.525 2.806 20 30 FFEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001086695439 995154477 /nfs/dbraw/zinc/15/44/77/995154477.db2.gz QVALOBJBYZDKQH-IOMROCGXSA-N 1 3 368.525 2.806 20 30 FFEDHO C=CCN1CCC(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000730670397 997387091 /nfs/dbraw/zinc/38/70/91/997387091.db2.gz RSEXUSIPTHFAFM-UHFFFAOYSA-N 1 3 360.502 2.789 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC(C)CC2)CC1 ZINC001096608368 1016346220 /nfs/dbraw/zinc/34/62/20/1016346220.db2.gz VVYLKCOXEQMSFV-DTMMYKOVSA-N 1 3 371.569 2.879 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC(C)CC2)CC1 ZINC001096608368 1016346230 /nfs/dbraw/zinc/34/62/30/1016346230.db2.gz VVYLKCOXEQMSFV-DTMMYKOVSA-N 1 3 371.569 2.879 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086592501 1002537897 /nfs/dbraw/zinc/53/78/97/1002537897.db2.gz QOVKFRZFDIAFDX-BHIFYINESA-N 1 3 367.537 2.857 20 30 FFEDHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086592501 1002537914 /nfs/dbraw/zinc/53/79/14/1002537914.db2.gz QOVKFRZFDIAFDX-BHIFYINESA-N 1 3 367.537 2.857 20 30 FFEDHO C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)CCC)C1 ZINC001186203213 1003223056 /nfs/dbraw/zinc/22/30/56/1003223056.db2.gz HAUWCXIPYMGIMR-UYAOXDASSA-N 1 3 361.505 2.875 20 30 FFEDHO C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)CCC)C1 ZINC001186203213 1003223063 /nfs/dbraw/zinc/22/30/63/1003223063.db2.gz HAUWCXIPYMGIMR-UYAOXDASSA-N 1 3 361.505 2.875 20 30 FFEDHO C=CCCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198742344 1004720141 /nfs/dbraw/zinc/72/01/41/1004720141.db2.gz OYIUXJAPLXZTPV-IPMKNSEASA-N 1 3 359.514 2.749 20 30 FFEDHO C=CCCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198742344 1004720143 /nfs/dbraw/zinc/72/01/43/1004720143.db2.gz OYIUXJAPLXZTPV-IPMKNSEASA-N 1 3 359.514 2.749 20 30 FFEDHO N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086745051 1007066946 /nfs/dbraw/zinc/06/69/46/1007066946.db2.gz ZSEBKTUAHBIVCM-FXAWDEMLSA-N 1 3 366.509 2.561 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCCCCCCNCc2ccccc2C#N)CC[N@@H+]1C ZINC001178518164 1009014797 /nfs/dbraw/zinc/01/47/97/1009014797.db2.gz IGFUUGACYAZKHJ-YLJYHZDGSA-N 1 3 356.514 2.665 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCCCCCCNCc2ccccc2C#N)CC[N@H+]1C ZINC001178518164 1009014813 /nfs/dbraw/zinc/01/48/13/1009014813.db2.gz IGFUUGACYAZKHJ-YLJYHZDGSA-N 1 3 356.514 2.665 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCc2ccccn2)cc1 ZINC000104163040 1009930638 /nfs/dbraw/zinc/93/06/38/1009930638.db2.gz CEEWQOWVGCYPTO-LJQANCHMSA-N 1 3 367.497 2.549 20 30 FFEDHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172982024 1012152191 /nfs/dbraw/zinc/15/21/91/1012152191.db2.gz RGODPFUKCAZYEG-TWMKSMIVSA-N 1 3 350.507 2.740 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000303895477 1012503444 /nfs/dbraw/zinc/50/34/44/1012503444.db2.gz TWECDWMODSZEBL-IBGZPJMESA-N 1 3 371.529 2.704 20 30 FFEDHO N#Cc1ccc(N2CCC([NH2+][C@H]3CCNC[C@@H]3C3CCCC3)CC2)nc1 ZINC000925609104 1017799855 /nfs/dbraw/zinc/79/98/55/1017799855.db2.gz OTLMPGVCBSRZKK-UXHICEINSA-N 1 3 353.514 2.680 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099274569 1022206305 /nfs/dbraw/zinc/20/63/05/1022206305.db2.gz HRIMAOCDUJZDED-BZUAXINKSA-N 1 3 361.452 2.662 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C(F)(F)F ZINC001099274569 1022206310 /nfs/dbraw/zinc/20/63/10/1022206310.db2.gz HRIMAOCDUJZDED-BZUAXINKSA-N 1 3 361.452 2.662 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001122631531 1023379609 /nfs/dbraw/zinc/37/96/09/1023379609.db2.gz UQAIOFFTZCLNHJ-BZSNNMDCSA-N 1 3 360.550 2.582 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001122631531 1023379612 /nfs/dbraw/zinc/37/96/12/1023379612.db2.gz UQAIOFFTZCLNHJ-BZSNNMDCSA-N 1 3 360.550 2.582 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCCCC=C)C[C@H]2C)CC1 ZINC001102596567 1026390075 /nfs/dbraw/zinc/39/00/75/1026390075.db2.gz MPMCZLFEOARDAI-TZIWHRDSSA-N 1 3 359.558 2.762 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCCCCC=C)C[C@H]2C)CC1 ZINC001102596567 1026390088 /nfs/dbraw/zinc/39/00/88/1026390088.db2.gz MPMCZLFEOARDAI-TZIWHRDSSA-N 1 3 359.558 2.762 20 30 FFEDHO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090179 1026952888 /nfs/dbraw/zinc/95/28/88/1026952888.db2.gz NPEDFAJQBAXSBE-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001103090179 1026952898 /nfs/dbraw/zinc/95/28/98/1026952898.db2.gz NPEDFAJQBAXSBE-YLJYHZDGSA-N 1 3 368.525 2.617 20 30 FFEDHO C[NH+]1CCC(CN2CCN(c3cc(C#C[Si](C)(C)C)ccn3)CC2)CC1 ZINC001157847893 1029674791 /nfs/dbraw/zinc/67/47/91/1029674791.db2.gz JFLORVDKTVZREY-UHFFFAOYSA-N 1 3 370.617 2.774 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCC2(NCC#Cc3ccccc3)CCCCC2)CC[N@@H+]1C ZINC001115543572 1031819647 /nfs/dbraw/zinc/81/96/47/1031819647.db2.gz QEHWESYKVKELFX-TZIWHRDSSA-N 1 3 367.537 2.787 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCC2(NCC#Cc3ccccc3)CCCCC2)CC[N@H+]1C ZINC001115543572 1031819656 /nfs/dbraw/zinc/81/96/56/1031819656.db2.gz QEHWESYKVKELFX-TZIWHRDSSA-N 1 3 367.537 2.787 20 30 FFEDHO CC(C)C[C@@H](C#N)NC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220702766 1034344007 /nfs/dbraw/zinc/34/40/07/1034344007.db2.gz FREULZVKVOJHDH-RZUBCFFCSA-N 1 3 368.525 2.543 20 30 FFEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC001220868499 1034438426 /nfs/dbraw/zinc/43/84/26/1034438426.db2.gz LCJLBLMPADYWFP-JKSUJKDBSA-N 1 3 355.404 2.862 20 30 FFEDHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001226932655 1034886826 /nfs/dbraw/zinc/88/68/26/1034886826.db2.gz NIYXUMYFFLBHDE-KURKYZTESA-N 1 3 362.543 2.723 20 30 FFEDHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccc(F)cc2)CC1 ZINC001228224917 1036001087 /nfs/dbraw/zinc/00/10/87/1036001087.db2.gz QYALIXGSLIABOP-WOJBJXKFSA-N 1 3 371.500 2.536 20 30 FFEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC001229503027 1036708363 /nfs/dbraw/zinc/70/83/63/1036708363.db2.gz CMLHDMLSMHFBTJ-WOJBJXKFSA-N 1 3 359.489 2.536 20 30 FFEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC001229503027 1036708383 /nfs/dbraw/zinc/70/83/83/1036708383.db2.gz CMLHDMLSMHFBTJ-WOJBJXKFSA-N 1 3 359.489 2.536 20 30 FFEDHO C[NH+](C)CCN1CCC2(CCN(Cc3cc(Cl)cc(C#N)c3)CC2)C1=O ZINC001277487813 1037472903 /nfs/dbraw/zinc/47/29/03/1037472903.db2.gz PFIKMJRBMGHMEC-UHFFFAOYSA-N 1 3 374.916 2.588 20 30 FFEDHO N#Cc1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1OC1CCOCC1 ZINC001245306328 1038951702 /nfs/dbraw/zinc/95/17/02/1038951702.db2.gz KHHOLBBRLRJGJX-UHFFFAOYSA-N 1 3 364.449 2.588 20 30 FFEDHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215036018 1041651772 /nfs/dbraw/zinc/65/17/72/1041651772.db2.gz LWMRYDFHLRCBMD-CEMLEFRQSA-N 1 3 367.537 2.595 20 30 FFEDHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001215036018 1041651773 /nfs/dbraw/zinc/65/17/73/1041651773.db2.gz LWMRYDFHLRCBMD-CEMLEFRQSA-N 1 3 367.537 2.595 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001264492691 1042696926 /nfs/dbraw/zinc/69/69/26/1042696926.db2.gz ZUDWSQZFWWJHTB-BHDDXSALSA-N 1 3 367.537 2.787 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCC#Cc2ccccc2)CC[N@@H+]1C ZINC001265670907 1042871368 /nfs/dbraw/zinc/87/13/68/1042871368.db2.gz XIAZOKAIQWZFKQ-FDFHNCONSA-N 1 3 367.537 2.739 20 30 FFEDHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCC#Cc2ccccc2)CC[N@H+]1C ZINC001265670907 1042871373 /nfs/dbraw/zinc/87/13/73/1042871373.db2.gz XIAZOKAIQWZFKQ-FDFHNCONSA-N 1 3 367.537 2.739 20 30 FFEDHO C=C(C)[C@@H]1CC=C(CN2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)CC1 ZINC001280234019 1044438438 /nfs/dbraw/zinc/43/84/38/1044438438.db2.gz AKIBCMPDKJGFLW-UYAOXDASSA-N 1 3 357.542 2.821 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001342156985 1050749534 /nfs/dbraw/zinc/74/95/34/1050749534.db2.gz VQPBIWSLBJRONI-VJANTYMQSA-N 1 3 353.551 2.809 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001343825093 1052439314 /nfs/dbraw/zinc/43/93/14/1052439314.db2.gz XCQYUMUTVIENOP-GOSISDBHSA-N 1 3 360.550 2.584 20 30 FFEDHO C=C(C)Cn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001343825093 1052439316 /nfs/dbraw/zinc/43/93/16/1052439316.db2.gz XCQYUMUTVIENOP-GOSISDBHSA-N 1 3 360.550 2.584 20 30 FFEDHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC#Cc1ccccc1Cl ZINC001494980809 1063419197 /nfs/dbraw/zinc/41/91/97/1063419197.db2.gz HWAAGDUGWQSNJE-BPQIPLTHSA-N 1 3 361.917 2.516 20 30 FFEDHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC#Cc1ccccc1Cl ZINC001494980809 1063419209 /nfs/dbraw/zinc/41/92/09/1063419209.db2.gz HWAAGDUGWQSNJE-BPQIPLTHSA-N 1 3 361.917 2.516 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000067360709 506841623 /nfs/dbraw/zinc/84/16/23/506841623.db2.gz YSRNBESCDIAZQS-OAQYLSRUSA-N 1 3 353.510 2.503 20 30 FFEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000067360709 506841628 /nfs/dbraw/zinc/84/16/28/506841628.db2.gz YSRNBESCDIAZQS-OAQYLSRUSA-N 1 3 353.510 2.503 20 30 FFEDHO C(#CC[NH+]1CCC2(CCOCC2)CC1)CN1CCC2(CCOCC2)CC1 ZINC000375398582 512305508 /nfs/dbraw/zinc/30/55/08/512305508.db2.gz YAYZLJKOHWCBDA-UHFFFAOYSA-N 1 3 360.542 2.775 20 30 FFEDHO C=C(C)COc1cc(C[NH2+]CCCN2CCN(CC)CC2)ccc1OC ZINC000057962899 507358469 /nfs/dbraw/zinc/35/84/69/507358469.db2.gz WBUIMCBTVUMTFE-UHFFFAOYSA-N 1 3 361.530 2.767 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000108709712 507913233 /nfs/dbraw/zinc/91/32/33/507913233.db2.gz NOUIKOGIBUYGRJ-IBGZPJMESA-N 1 3 367.537 2.880 20 30 FFEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000108709712 507913237 /nfs/dbraw/zinc/91/32/37/507913237.db2.gz NOUIKOGIBUYGRJ-IBGZPJMESA-N 1 3 367.537 2.880 20 30 FFEDHO CCN1CCN(CCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000264101817 509330360 /nfs/dbraw/zinc/33/03/60/509330360.db2.gz OJHVZBCRKGONPG-CYBMUJFWSA-N 1 3 372.344 2.596 20 30 FFEDHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000190008403 509882535 /nfs/dbraw/zinc/88/25/35/509882535.db2.gz OITMZGQKRZWFFQ-XLIONFOSSA-N 1 3 372.513 2.613 20 30 FFEDHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000190008403 509882540 /nfs/dbraw/zinc/88/25/40/509882540.db2.gz OITMZGQKRZWFFQ-XLIONFOSSA-N 1 3 372.513 2.613 20 30 FFEDHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000190732426 510314621 /nfs/dbraw/zinc/31/46/21/510314621.db2.gz GGDMBVFWULDQBT-UHFFFAOYSA-N 1 3 365.525 2.897 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000246274284 510399008 /nfs/dbraw/zinc/39/90/08/510399008.db2.gz JGCHFXKCCZVBDM-CEXWTWQISA-N 1 3 350.551 2.667 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)C(C)C ZINC000246274284 510399011 /nfs/dbraw/zinc/39/90/11/510399011.db2.gz JGCHFXKCCZVBDM-CEXWTWQISA-N 1 3 350.551 2.667 20 30 FFEDHO C#CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000270420189 510803104 /nfs/dbraw/zinc/80/31/04/510803104.db2.gz NBXPKJFIIIDNIJ-OAQYLSRUSA-N 1 3 368.525 2.609 20 30 FFEDHO C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000288372377 511073206 /nfs/dbraw/zinc/07/32/06/511073206.db2.gz QVWXTFUCJXHOTD-OAQYLSRUSA-N 1 3 371.525 2.538 20 30 FFEDHO C[C@@H](C(=O)N(C)CCC#N)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293326908 511924703 /nfs/dbraw/zinc/92/47/03/511924703.db2.gz MJWCWHFYWZSOMK-IBGZPJMESA-N 1 3 368.525 2.735 20 30 FFEDHO N#Cc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1F ZINC000421334798 513226873 /nfs/dbraw/zinc/22/68/73/513226873.db2.gz JOGMAJDQCUTSEZ-UHFFFAOYSA-N 1 3 353.441 2.944 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C(C)C ZINC000470755196 514594251 /nfs/dbraw/zinc/59/42/51/514594251.db2.gz KWXHZDICOKLHGD-WOJBJXKFSA-N 1 3 362.562 2.812 20 30 FFEDHO C=CCN1CCC(NC(=O)N(CCC)CC[NH+]2CCCCCC2)CC1 ZINC000460250606 516086630 /nfs/dbraw/zinc/08/66/30/516086630.db2.gz INRXERQHWLAVCW-UHFFFAOYSA-N 1 3 350.551 2.934 20 30 FFEDHO C=C(CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000512680398 516320845 /nfs/dbraw/zinc/32/08/45/516320845.db2.gz AUHVVTGUDXTLMO-HXUWFJFHSA-N 1 3 358.530 2.757 20 30 FFEDHO C=C(CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000512680398 516320847 /nfs/dbraw/zinc/32/08/47/516320847.db2.gz AUHVVTGUDXTLMO-HXUWFJFHSA-N 1 3 358.530 2.757 20 30 FFEDHO C=CCc1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000567691341 518658620 /nfs/dbraw/zinc/65/86/20/518658620.db2.gz VDTWWQVCUMISIJ-NXEWRWPSSA-N 1 3 374.525 2.768 20 30 FFEDHO C=CCc1ccc(OC[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567691341 518658625 /nfs/dbraw/zinc/65/86/25/518658625.db2.gz VDTWWQVCUMISIJ-NXEWRWPSSA-N 1 3 374.525 2.768 20 30 FFEDHO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000576976676 518857308 /nfs/dbraw/zinc/85/73/08/518857308.db2.gz JIHFZFRVZNARLE-QZTJIDSGSA-N 1 3 366.431 2.751 20 30 FFEDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000565745774 519110932 /nfs/dbraw/zinc/11/09/32/519110932.db2.gz MSRPPRHOVKNJLD-UHFFFAOYSA-N 1 3 355.404 2.902 20 30 FFEDHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594440494 519965959 /nfs/dbraw/zinc/96/59/59/519965959.db2.gz DKVWUUJYOCBAGJ-FQEVSTJZSA-N 1 3 356.514 2.946 20 30 FFEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](N)CCCCC#N ZINC000594454014 519975366 /nfs/dbraw/zinc/97/53/66/519975366.db2.gz RDBKSBATDUZVJH-LJQANCHMSA-N 1 3 357.502 2.558 20 30 FFEDHO CN1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503749 520514222 /nfs/dbraw/zinc/51/42/22/520514222.db2.gz BGKHIJQGUSWUKN-HXUWFJFHSA-N 1 3 372.538 2.855 20 30 FFEDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000595503749 520514231 /nfs/dbraw/zinc/51/42/31/520514231.db2.gz BGKHIJQGUSWUKN-HXUWFJFHSA-N 1 3 372.538 2.855 20 30 FFEDHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599263641 521117545 /nfs/dbraw/zinc/11/75/45/521117545.db2.gz KVFZIRDNPCMYFZ-UHFFFAOYSA-N 1 3 370.541 2.927 20 30 FFEDHO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC000633040286 522490730 /nfs/dbraw/zinc/49/07/30/522490730.db2.gz HJVYUPWSVLKDER-HXUWFJFHSA-N 1 3 356.514 2.519 20 30 FFEDHO CC[N@H+](C)C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744423256 735353907 /nfs/dbraw/zinc/35/39/07/735353907.db2.gz AUWLHMQVGTVUCQ-CABCVRRESA-N 1 3 356.495 2.746 20 30 FFEDHO CC[N@@H+](C)C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000744423256 735353915 /nfs/dbraw/zinc/35/39/15/735353915.db2.gz AUWLHMQVGTVUCQ-CABCVRRESA-N 1 3 356.495 2.746 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc2cc(Cl)ccc2s1 ZINC000261965753 729655811 /nfs/dbraw/zinc/65/58/11/729655811.db2.gz BASMOHUFTVUXSA-LBPRGKRZSA-N 1 3 351.907 2.838 20 30 FFEDHO CC[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261976012 729656156 /nfs/dbraw/zinc/65/61/56/729656156.db2.gz NRFIYTUFWZRAMZ-FXAWDEMLSA-N 1 3 350.551 2.575 20 30 FFEDHO CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccsc1 ZINC000303888905 729735625 /nfs/dbraw/zinc/73/56/25/729735625.db2.gz LQFQDFWCMQQVGD-DLBZAZTESA-N 1 3 351.564 2.520 20 30 FFEDHO C=C(C[NH+]1CCCCC1)C(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001275872178 1013125193 /nfs/dbraw/zinc/12/51/93/1013125193.db2.gz RPTNJHLWGPPZAK-DLBZAZTESA-N 1 3 373.463 2.904 20 30 FFEDHO CC1(C)[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000262514443 974050455 /nfs/dbraw/zinc/05/04/55/974050455.db2.gz FOASRCCZPKUKDL-XUVXKRRUSA-N 1 3 370.541 2.759 20 30 FFEDHO CCN1CCN(Cc2ccc(CNC(=[NH2+])NC3CCCCCC3)cc2)CC1 ZINC000305744239 974249220 /nfs/dbraw/zinc/24/92/20/974249220.db2.gz LHXRTHBGCKZITI-UHFFFAOYSA-N 1 3 371.573 2.951 20 30 FFEDHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001087438858 977376353 /nfs/dbraw/zinc/37/63/53/977376353.db2.gz SYJJAJBFTLRECS-FGZHOGPDSA-N 1 3 367.537 2.716 20 30 FFEDHO C=CCN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)=[NH+]CC)CC1 ZINC000261808406 978394698 /nfs/dbraw/zinc/39/46/98/978394698.db2.gz SKBPZTGRDLCKKM-IPMKNSEASA-N 1 3 360.546 2.540 20 30 FFEDHO CO[C@@H]1C[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C12CCC2 ZINC000263152092 980512288 /nfs/dbraw/zinc/51/22/88/980512288.db2.gz POWBFONKGLODSW-RBUKOAKNSA-N 1 3 356.514 2.513 20 30 FFEDHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C#N)c1)CC2)N(C)C ZINC001107550557 984668930 /nfs/dbraw/zinc/66/89/30/984668930.db2.gz ATWWTJMMKYZTFW-TUNNFDKTSA-N 1 3 368.525 2.759 20 30 FFEDHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2)N(C)C ZINC001107550557 984668934 /nfs/dbraw/zinc/66/89/34/984668934.db2.gz ATWWTJMMKYZTFW-TUNNFDKTSA-N 1 3 368.525 2.759 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430824 986776153 /nfs/dbraw/zinc/77/61/53/986776153.db2.gz YCCKYMGZVJHEKD-IPMKNSEASA-N 1 3 353.551 2.647 20 30 FFEDHO CCCCCCCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430824 986776165 /nfs/dbraw/zinc/77/61/65/986776165.db2.gz YCCKYMGZVJHEKD-IPMKNSEASA-N 1 3 353.551 2.647 20 30 FFEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1F ZINC001079310820 992010471 /nfs/dbraw/zinc/01/04/71/992010471.db2.gz LKDNNKFXDQEQAK-IMFGXOCKSA-N 1 3 359.489 2.770 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001085432676 999517777 /nfs/dbraw/zinc/51/77/77/999517777.db2.gz KECDVSZEQHJYHL-NHCUHLMSSA-N 1 3 371.569 2.929 20 30 FFEDHO C=CCc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc(OC)c1O ZINC000903980140 1016356656 /nfs/dbraw/zinc/35/66/56/1016356656.db2.gz JPVQAYYHVMWDOH-BGYRXZFFSA-N 1 3 371.525 2.530 20 30 FFEDHO C=CCc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc(OC)c1O ZINC000903980140 1016356660 /nfs/dbraw/zinc/35/66/60/1016356660.db2.gz JPVQAYYHVMWDOH-BGYRXZFFSA-N 1 3 371.525 2.530 20 30 FFEDHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#Cc2ccccc2)C1 ZINC001112567294 1001497901 /nfs/dbraw/zinc/49/79/01/1001497901.db2.gz HKLYCSWYXRKZHM-GMAHTHKFSA-N 1 3 367.537 2.598 20 30 FFEDHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001112567199 1001497919 /nfs/dbraw/zinc/49/79/19/1001497919.db2.gz BTRABESSYOPWMA-UNMCSNQZSA-N 1 3 368.525 2.618 20 30 FFEDHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658519 1003364211 /nfs/dbraw/zinc/36/42/11/1003364211.db2.gz YFIUTGNXJWGELL-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092658519 1003364219 /nfs/dbraw/zinc/36/42/19/1003364219.db2.gz YFIUTGNXJWGELL-UIFIKXQLSA-N 1 3 368.525 2.617 20 30 FFEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001086712149 1005959835 /nfs/dbraw/zinc/95/98/35/1005959835.db2.gz RKLXUWCZQFOIGB-IOMROCGXSA-N 1 3 368.525 2.807 20 30 FFEDHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCc2ccccc2C#N)C1 ZINC001086712149 1005959840 /nfs/dbraw/zinc/95/98/40/1005959840.db2.gz RKLXUWCZQFOIGB-IOMROCGXSA-N 1 3 368.525 2.807 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cc(C#N)cs3)CC2)CC1 ZINC000887967353 1009702841 /nfs/dbraw/zinc/70/28/41/1009702841.db2.gz ZVWFJVCFJJKRJT-UHFFFAOYSA-N 1 3 374.554 2.774 20 30 FFEDHO CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C#N)cc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)c1 ZINC000934103681 1021142320 /nfs/dbraw/zinc/14/23/20/1021142320.db2.gz DICHXDSMQXHNCP-UJOPUZHASA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@@H]1N(C)Cc1cc(C#N)cc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)c1 ZINC000934103681 1021142321 /nfs/dbraw/zinc/14/23/21/1021142321.db2.gz DICHXDSMQXHNCP-UJOPUZHASA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C#N)cc(CN(C)[C@@H]2CC[C@@H]2OC)c1 ZINC000934103681 1021142324 /nfs/dbraw/zinc/14/23/24/1021142324.db2.gz DICHXDSMQXHNCP-UJOPUZHASA-N 1 3 357.498 2.777 20 30 FFEDHO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc(C#N)cc(CN(C)[C@@H]2CC[C@@H]2OC)c1 ZINC000934103681 1021142327 /nfs/dbraw/zinc/14/23/27/1021142327.db2.gz DICHXDSMQXHNCP-UJOPUZHASA-N 1 3 357.498 2.777 20 30 FFEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099346917 1022340717 /nfs/dbraw/zinc/34/07/17/1022340717.db2.gz QFLUCCQUDNAYCB-OAGGEKHMSA-N 1 3 361.452 2.662 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC001120496609 1023341047 /nfs/dbraw/zinc/34/10/47/1023341047.db2.gz FPXAZFPBGZMAME-MRXNPFEDSA-N 1 3 371.308 2.810 20 30 FFEDHO N#Cc1c(NC(=O)[C@H]2C[C@H](c3ccccc3)CC[NH2+]2)sc2c1CCNC2 ZINC001218551936 1033217704 /nfs/dbraw/zinc/21/77/04/1033217704.db2.gz DAYDGOBGYRADNW-RHSMWYFYSA-N 1 3 366.490 2.740 20 30 FFEDHO C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364716 1024553736 /nfs/dbraw/zinc/55/37/36/1024553736.db2.gz YSFQZCYIPIGSBX-QMMLZNLJSA-N 1 3 365.537 2.945 20 30 FFEDHO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001101364716 1024553743 /nfs/dbraw/zinc/55/37/43/1024553743.db2.gz YSFQZCYIPIGSBX-QMMLZNLJSA-N 1 3 365.537 2.945 20 30 FFEDHO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001102596240 1026387404 /nfs/dbraw/zinc/38/74/04/1026387404.db2.gz VCKDKOKWOZZWHC-IFMALSPDSA-N 1 3 367.537 2.598 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001103083813 1026945632 /nfs/dbraw/zinc/94/56/32/1026945632.db2.gz KNAIZSQWMQGVKA-KBAYOESNSA-N 1 3 355.954 2.791 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083813 1026945637 /nfs/dbraw/zinc/94/56/37/1026945637.db2.gz KNAIZSQWMQGVKA-KBAYOESNSA-N 1 3 355.954 2.791 20 30 FFEDHO C=CCCCN1C[C@H]2OCCN(C(=O)CCC[NH+](CCC)CCC)[C@H]2C1 ZINC001218952294 1033422615 /nfs/dbraw/zinc/42/26/15/1033422615.db2.gz MLQSJIRMCJYSLH-VQTJNVASSA-N 1 3 365.562 2.766 20 30 FFEDHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226891881 1034875319 /nfs/dbraw/zinc/87/53/19/1034875319.db2.gz WBTZBIKGWALWQI-YPAWHYETSA-N 1 3 367.537 2.930 20 30 FFEDHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226891881 1034875324 /nfs/dbraw/zinc/87/53/24/1034875324.db2.gz WBTZBIKGWALWQI-YPAWHYETSA-N 1 3 367.537 2.930 20 30 FFEDHO C=C(C)CN(CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230766528 1037348623 /nfs/dbraw/zinc/34/86/23/1037348623.db2.gz COFALIXFJVJDKZ-VQTJNVASSA-N 1 3 358.530 2.696 20 30 FFEDHO C=C(C)CN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1cccnc1 ZINC001230766528 1037348644 /nfs/dbraw/zinc/34/86/44/1037348644.db2.gz COFALIXFJVJDKZ-VQTJNVASSA-N 1 3 358.530 2.696 20 30 FFEDHO N#Cc1ccc(CC2CC[NH+](C[C@@H](O)[C@@H](N)Cc3ccccc3)CC2)cc1 ZINC001246047862 1039218687 /nfs/dbraw/zinc/21/86/87/1039218687.db2.gz YBCBLOZCCMLKFT-XZOQPEGZSA-N 1 3 363.505 2.744 20 30 FFEDHO C=CCCCCCC[C@@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001253241788 1040065346 /nfs/dbraw/zinc/06/53/46/1040065346.db2.gz DIEGGLGSXKGSQR-OAQYLSRUSA-N 1 3 351.579 2.833 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001213322403 1040447118 /nfs/dbraw/zinc/44/71/18/1040447118.db2.gz IJARRAJRFGJHND-VAMGGRTRSA-N 1 3 365.562 2.670 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001213322403 1040447124 /nfs/dbraw/zinc/44/71/24/1040447124.db2.gz IJARRAJRFGJHND-VAMGGRTRSA-N 1 3 365.562 2.670 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)CC1 ZINC001537920391 1070292110 /nfs/dbraw/zinc/29/21/10/1070292110.db2.gz CTRQCOKKWWRJMG-NRFANRHFSA-N 1 3 355.526 2.921 20 30 FFEDHO COC(C)(C)C[NH+]1CCC2(CCCN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001280057313 1044147571 /nfs/dbraw/zinc/14/75/71/1044147571.db2.gz ZBCCBOCASHDNSQ-UHFFFAOYSA-N 1 3 358.530 3.000 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001342355248 1050950303 /nfs/dbraw/zinc/95/03/03/1050950303.db2.gz OLNBBXOVTPBYAW-CEXWTWQISA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001342355248 1050950313 /nfs/dbraw/zinc/95/03/13/1050950313.db2.gz OLNBBXOVTPBYAW-CEXWTWQISA-N 1 3 374.577 2.830 20 30 FFEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001336786031 1054224249 /nfs/dbraw/zinc/22/42/49/1054224249.db2.gz XYMOOCPLLHLIBL-HXUWFJFHSA-N 1 3 352.478 2.657 20 30 FFEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849106115 1056762976 /nfs/dbraw/zinc/76/29/76/1056762976.db2.gz VIZSHIMEPICYSS-ICSRJNTNSA-N 1 3 356.514 2.746 20 30 FFEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001521697072 1061080501 /nfs/dbraw/zinc/08/05/01/1061080501.db2.gz FSPBKLHIFUKUQB-GBESFXJTSA-N 1 3 353.551 2.809 20 30 FFEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000078946619 507918848 /nfs/dbraw/zinc/91/88/48/507918848.db2.gz XOLZPOQAPNWUPO-UHFFFAOYSA-N 1 3 371.529 2.507 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080121091 508040721 /nfs/dbraw/zinc/04/07/21/508040721.db2.gz UBVADNDZQONDHG-WIYYLYMNSA-N 1 3 370.541 2.989 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080121091 508040724 /nfs/dbraw/zinc/04/07/24/508040724.db2.gz UBVADNDZQONDHG-WIYYLYMNSA-N 1 3 370.541 2.989 20 30 FFEDHO COCC[N@H+](C)CCCC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000122103888 508481800 /nfs/dbraw/zinc/48/18/00/508481800.db2.gz XZGGLKQALRPBHT-NRFANRHFSA-N 1 3 359.514 2.662 20 30 FFEDHO COCC[N@@H+](C)CCCC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000122103888 508481806 /nfs/dbraw/zinc/48/18/06/508481806.db2.gz XZGGLKQALRPBHT-NRFANRHFSA-N 1 3 359.514 2.662 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000171780925 510365950 /nfs/dbraw/zinc/36/59/50/510365950.db2.gz JCSKMLKEWQLDPJ-HXUWFJFHSA-N 1 3 362.562 2.981 20 30 FFEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000171780925 510365957 /nfs/dbraw/zinc/36/59/57/510365957.db2.gz JCSKMLKEWQLDPJ-HXUWFJFHSA-N 1 3 362.562 2.981 20 30 FFEDHO CCN1CCN(CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000298401786 511272178 /nfs/dbraw/zinc/27/21/78/511272178.db2.gz JROSJRFJWPMBOI-UHFFFAOYSA-N 1 3 357.546 2.544 20 30 FFEDHO C[C@H](NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1=CC[N@H+](C)CC1 ZINC000329715684 512089358 /nfs/dbraw/zinc/08/93/58/512089358.db2.gz VHSSBAIVKZSEDA-WFASDCNBSA-N 1 3 363.408 2.925 20 30 FFEDHO C[C@H](NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)C1=CC[N@@H+](C)CC1 ZINC000329715684 512089380 /nfs/dbraw/zinc/08/93/80/512089380.db2.gz VHSSBAIVKZSEDA-WFASDCNBSA-N 1 3 363.408 2.925 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000470969324 514698286 /nfs/dbraw/zinc/69/82/86/514698286.db2.gz SZOKVIIXNCEZKU-VQTJNVASSA-N 1 3 350.466 2.621 20 30 FFEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000470969324 514698291 /nfs/dbraw/zinc/69/82/91/514698291.db2.gz SZOKVIIXNCEZKU-VQTJNVASSA-N 1 3 350.466 2.621 20 30 FFEDHO CC(C)[NH+]1CCC(N2CCN(CCCC3(C#N)CCOCC3)CC2)CC1 ZINC000499553302 515367697 /nfs/dbraw/zinc/36/76/97/515367697.db2.gz QTBOQNBRXIBUJB-UHFFFAOYSA-N 1 3 362.562 2.577 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CCC#N)Cc3ccco3)CC2)CC1 ZINC000572132350 519460441 /nfs/dbraw/zinc/46/04/41/519460441.db2.gz BPQYVXRLPJCWPG-UHFFFAOYSA-N 1 3 372.513 2.718 20 30 FFEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CCC#N)CC(C)(C)C)CC2)CC1 ZINC000566436931 519492975 /nfs/dbraw/zinc/49/29/75/519492975.db2.gz HJCUGANCEIWWEP-UHFFFAOYSA-N 1 3 362.562 2.971 20 30 FFEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596449992 521077816 /nfs/dbraw/zinc/07/78/16/521077816.db2.gz QRIFUYCWMMCDEH-HNNXBMFYSA-N 1 3 362.522 2.508 20 30 FFEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596449992 521077821 /nfs/dbraw/zinc/07/78/21/521077821.db2.gz QRIFUYCWMMCDEH-HNNXBMFYSA-N 1 3 362.522 2.508 20 30 FFEDHO CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302700 521136699 /nfs/dbraw/zinc/13/66/99/521136699.db2.gz JCZOHTIORUUIGO-SFTDATJTSA-N 1 3 371.525 2.512 20 30 FFEDHO CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302700 521136707 /nfs/dbraw/zinc/13/67/07/521136707.db2.gz JCZOHTIORUUIGO-SFTDATJTSA-N 1 3 371.525 2.512 20 30 FFEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594260912 521516742 /nfs/dbraw/zinc/51/67/42/521516742.db2.gz PNFXCZHGZZZZBK-NQIIRXRSSA-N 1 3 370.541 2.611 20 30 FFEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594260912 521516748 /nfs/dbraw/zinc/51/67/48/521516748.db2.gz PNFXCZHGZZZZBK-NQIIRXRSSA-N 1 3 370.541 2.611 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594260911 521516812 /nfs/dbraw/zinc/51/68/12/521516812.db2.gz PNFXCZHGZZZZBK-GHTZIAJQSA-N 1 3 370.541 2.611 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594260911 521516820 /nfs/dbraw/zinc/51/68/20/521516820.db2.gz PNFXCZHGZZZZBK-GHTZIAJQSA-N 1 3 370.541 2.611 20 30 FFEDHO C=CCc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(OC)c1O ZINC000650723022 967603015 /nfs/dbraw/zinc/60/30/15/967603015.db2.gz GIJJOYKSOGFGHA-QRVBRYPASA-N 1 3 360.498 2.990 20 30 FFEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106853 972824171 /nfs/dbraw/zinc/82/41/71/972824171.db2.gz UQOXDJKDSLOWLX-LVCYWYKZSA-N 1 3 365.537 2.945 20 30 FFEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106853 972824181 /nfs/dbraw/zinc/82/41/81/972824181.db2.gz UQOXDJKDSLOWLX-LVCYWYKZSA-N 1 3 365.537 2.945 20 30 FFEDHO C[NH+]=C(NC[C@H](c1ccco1)N1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262478014 973472224 /nfs/dbraw/zinc/47/22/24/973472224.db2.gz QQBKDJJYNYSPMM-RBUKOAKNSA-N 1 3 373.545 2.552 20 30 FFEDHO C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029920211 979816938 /nfs/dbraw/zinc/81/69/38/979816938.db2.gz QSSPGJDGEJTXOW-BAGYTPMASA-N 1 3 367.537 2.843 20 30 FFEDHO C#CCCN1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029920211 979816945 /nfs/dbraw/zinc/81/69/45/979816945.db2.gz QSSPGJDGEJTXOW-BAGYTPMASA-N 1 3 367.537 2.843 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401521 986118792 /nfs/dbraw/zinc/11/87/92/986118792.db2.gz SZUUYEBIDAVXLI-XUVXKRRUSA-N 1 3 365.562 2.526 20 30 FFEDHO C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401521 986118796 /nfs/dbraw/zinc/11/87/96/986118796.db2.gz SZUUYEBIDAVXLI-XUVXKRRUSA-N 1 3 365.562 2.526 20 30 FFEDHO C#CCN(C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)C1CCN(C)CC1 ZINC000921162767 990992985 /nfs/dbraw/zinc/99/29/85/990992985.db2.gz XBGKOZSGBCUTAO-IBGZPJMESA-N 1 3 370.541 2.636 20 30 FFEDHO C#CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCN(C)CC1 ZINC000921162767 990992990 /nfs/dbraw/zinc/99/29/90/990992990.db2.gz XBGKOZSGBCUTAO-IBGZPJMESA-N 1 3 370.541 2.636 20 30 FFEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1cccc(F)c1 ZINC001079211275 991878420 /nfs/dbraw/zinc/87/84/20/991878420.db2.gz ZMRMPGJVNCYXKE-XUVXKRRUSA-N 1 3 359.489 2.770 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)CC2(C)C)CC[N@@H+]1C ZINC000940757319 992146609 /nfs/dbraw/zinc/14/66/09/992146609.db2.gz ZKJFTHWGDCMXKE-AHRSYUTCSA-N 1 3 368.525 2.615 20 30 FFEDHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)CC2(C)C)CC[N@H+]1C ZINC000940757319 992146616 /nfs/dbraw/zinc/14/66/16/992146616.db2.gz ZKJFTHWGDCMXKE-AHRSYUTCSA-N 1 3 368.525 2.615 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@H]2C)CC1 ZINC001080998266 993549446 /nfs/dbraw/zinc/54/94/46/993549446.db2.gz WYNYGTMRNOBMAY-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]2C)CC1 ZINC001080998266 993549451 /nfs/dbraw/zinc/54/94/51/993549451.db2.gz WYNYGTMRNOBMAY-DENIHFKCSA-N 1 3 367.537 2.585 20 30 FFEDHO C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001131597020 994445798 /nfs/dbraw/zinc/44/57/98/994445798.db2.gz GWSQYWZEZFJXMZ-QFUCXCTJSA-N 1 3 365.562 2.669 20 30 FFEDHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001054040986 1015928509 /nfs/dbraw/zinc/92/85/09/1015928509.db2.gz CBVLCVQGWGBOND-PCCBWWKXSA-N 1 3 355.526 2.836 20 30 FFEDHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054040986 1015928518 /nfs/dbraw/zinc/92/85/18/1015928518.db2.gz CBVLCVQGWGBOND-PCCBWWKXSA-N 1 3 355.526 2.836 20 30 FFEDHO C#CCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000743489487 999821689 /nfs/dbraw/zinc/82/16/89/999821689.db2.gz HCWKJCAEZYSYDO-UHFFFAOYSA-N 1 3 353.466 2.712 20 30 FFEDHO C[N@@H+]1CCC[C@@H](CCNc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001156385369 1000081003 /nfs/dbraw/zinc/08/10/03/1000081003.db2.gz DVPFPLVKZNVOOK-LSDHHAIUSA-N 1 3 359.474 2.569 20 30 FFEDHO C[N@H+]1CCC[C@@H](CCNc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001156385369 1000081005 /nfs/dbraw/zinc/08/10/05/1000081005.db2.gz DVPFPLVKZNVOOK-LSDHHAIUSA-N 1 3 359.474 2.569 20 30 FFEDHO CC[NH+](CC)Cc1cc(OC)ccc1NC(=N)c1ccc(C(N)=O)cc1 ZINC001171260026 1000509613 /nfs/dbraw/zinc/50/96/13/1000509613.db2.gz BKSSMBJSMMNCDU-UHFFFAOYSA-N 1 3 354.454 2.673 20 30 FFEDHO C[NH+](C)CCCN1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389216 1003138844 /nfs/dbraw/zinc/13/88/44/1003138844.db2.gz NBEUYJZQSJUTMV-UHFFFAOYSA-N 1 3 354.542 2.960 20 30 FFEDHO C#CCN(C(=O)c1ccc(OCC[NH+](CC)CC)cc1)C1CCN(C)CC1 ZINC000886583407 1008753993 /nfs/dbraw/zinc/75/39/93/1008753993.db2.gz OZSDKYYZXFIYIH-UHFFFAOYSA-N 1 3 371.525 2.577 20 30 FFEDHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001094241417 1010984127 /nfs/dbraw/zinc/98/41/27/1010984127.db2.gz BLBYACFUWPTZDI-DUXKGJEZSA-N 1 3 368.525 2.617 20 30 FFEDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173426703 1012581133 /nfs/dbraw/zinc/58/11/33/1012581133.db2.gz DNFFIDSQVLMDKL-UXHICEINSA-N 1 3 354.498 2.625 20 30 FFEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC(F)(F)F ZINC000304945351 1012958507 /nfs/dbraw/zinc/95/85/07/1012958507.db2.gz PIAWVWANFTXIBN-OAHLLOKOSA-N 1 3 372.435 2.825 20 30 FFEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCC(F)(F)F ZINC000304945350 1012959025 /nfs/dbraw/zinc/95/90/25/1012959025.db2.gz PIAWVWANFTXIBN-HNNXBMFYSA-N 1 3 372.435 2.825 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000930588349 1020093156 /nfs/dbraw/zinc/09/31/56/1020093156.db2.gz SUTBPNOZFBAEDN-WCRBZPEASA-N 1 3 369.509 2.570 20 30 FFEDHO C#Cc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000930588349 1020093165 /nfs/dbraw/zinc/09/31/65/1020093165.db2.gz SUTBPNOZFBAEDN-WCRBZPEASA-N 1 3 369.509 2.570 20 30 FFEDHO C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029564 1021629398 /nfs/dbraw/zinc/62/93/98/1021629398.db2.gz FCSXVYGJCVAPNX-VDGAXYAQSA-N 1 3 351.510 2.746 20 30 FFEDHO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099029564 1021629407 /nfs/dbraw/zinc/62/94/07/1021629407.db2.gz FCSXVYGJCVAPNX-VDGAXYAQSA-N 1 3 351.510 2.746 20 30 FFEDHO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099030010 1021632814 /nfs/dbraw/zinc/63/28/14/1021632814.db2.gz SRSVDWBKVRWCFY-VDGAXYAQSA-N 1 3 351.510 2.746 20 30 FFEDHO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001099030010 1021632821 /nfs/dbraw/zinc/63/28/21/1021632821.db2.gz SRSVDWBKVRWCFY-VDGAXYAQSA-N 1 3 351.510 2.746 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C(F)(F)F ZINC001099331391 1022309081 /nfs/dbraw/zinc/30/90/81/1022309081.db2.gz GVRZPLOPCDQJSU-BZUAXINKSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CCN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C(F)(F)F ZINC001099331391 1022309094 /nfs/dbraw/zinc/30/90/94/1022309094.db2.gz GVRZPLOPCDQJSU-BZUAXINKSA-N 1 3 361.452 2.806 20 30 FFEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001017977632 1022328256 /nfs/dbraw/zinc/32/82/56/1022328256.db2.gz GEUQOYWJURRDFH-MHTWAQMVSA-N 1 3 353.510 2.583 20 30 FFEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001017977632 1022328273 /nfs/dbraw/zinc/32/82/73/1022328273.db2.gz GEUQOYWJURRDFH-MHTWAQMVSA-N 1 3 353.510 2.583 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122543897 1023330951 /nfs/dbraw/zinc/33/09/51/1023330951.db2.gz PIPHWPSIUXEMQW-MOPGFXCFSA-N 1 3 374.577 2.832 20 30 FFEDHO C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001122543897 1023330957 /nfs/dbraw/zinc/33/09/57/1023330957.db2.gz PIPHWPSIUXEMQW-MOPGFXCFSA-N 1 3 374.577 2.832 20 30 FFEDHO C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001102504575 1026154263 /nfs/dbraw/zinc/15/42/63/1026154263.db2.gz URDYJBXKAAQEOD-AQNXPRMDSA-N 1 3 365.562 2.528 20 30 FFEDHO C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)[C@H](C)C1 ZINC001102504575 1026154266 /nfs/dbraw/zinc/15/42/66/1026154266.db2.gz URDYJBXKAAQEOD-AQNXPRMDSA-N 1 3 365.562 2.528 20 30 FFEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000838622664 1026443629 /nfs/dbraw/zinc/44/36/29/1026443629.db2.gz IXQQEPHBIVRWFB-TZIWHRDSSA-N 1 3 370.541 2.636 20 30 FFEDHO C#CCN(C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000838622664 1026443633 /nfs/dbraw/zinc/44/36/33/1026443633.db2.gz IXQQEPHBIVRWFB-TZIWHRDSSA-N 1 3 370.541 2.636 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2C)CC[N@@H+]1C ZINC001103005017 1026870732 /nfs/dbraw/zinc/87/07/32/1026870732.db2.gz LFZKFHYGQOLQBR-YKTARERQSA-N 1 3 374.554 2.534 20 30 FFEDHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(Cc3ccc(C#N)s3)C[C@H]2C)CC[N@H+]1C ZINC001103005017 1026870733 /nfs/dbraw/zinc/87/07/33/1026870733.db2.gz LFZKFHYGQOLQBR-YKTARERQSA-N 1 3 374.554 2.534 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001103433777 1027472891 /nfs/dbraw/zinc/47/28/91/1027472891.db2.gz LINPRJHXVGYBNY-QWFCFKBJSA-N 1 3 368.525 2.617 20 30 FFEDHO C[C@@H]1CCCN1CC(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001103433777 1027472905 /nfs/dbraw/zinc/47/29/05/1027472905.db2.gz LINPRJHXVGYBNY-QWFCFKBJSA-N 1 3 368.525 2.617 20 30 FFEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103437169 1027482201 /nfs/dbraw/zinc/48/22/01/1027482201.db2.gz MYLMPEWSSGADPF-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001103437169 1027482206 /nfs/dbraw/zinc/48/22/06/1027482206.db2.gz MYLMPEWSSGADPF-HLIPFELVSA-N 1 3 353.526 2.849 20 30 FFEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598394 1027755623 /nfs/dbraw/zinc/75/56/23/1027755623.db2.gz KBKUBRMCBTVBFZ-CRAIPNDOSA-N 1 3 355.954 2.934 20 30 FFEDHO C=CCOC(=O)N1CCC[C@@]2(CCN(Cc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC001205002082 1031484387 /nfs/dbraw/zinc/48/43/87/1031484387.db2.gz YYWBHQVGQOCXAN-NRFANRHFSA-N 1 3 355.482 2.900 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001205412601 1031724394 /nfs/dbraw/zinc/72/43/94/1031724394.db2.gz YYUNBTVCANOEKF-PWRODBHTSA-N 1 3 371.500 2.607 20 30 FFEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cccc(F)c1 ZINC001205412601 1031724415 /nfs/dbraw/zinc/72/44/15/1031724415.db2.gz YYUNBTVCANOEKF-PWRODBHTSA-N 1 3 371.500 2.607 20 30 FFEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1c1cccc(F)c1 ZINC001205458379 1031764187 /nfs/dbraw/zinc/76/41/87/1031764187.db2.gz IIMXKWRTUUDXTI-PWRODBHTSA-N 1 3 371.500 2.607 20 30 FFEDHO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001277734325 1036154889 /nfs/dbraw/zinc/15/48/89/1036154889.db2.gz JBYWCBYMUADWLT-VAMGGRTRSA-N 1 3 367.578 2.725 20 30 FFEDHO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001277734325 1036154891 /nfs/dbraw/zinc/15/48/91/1036154891.db2.gz JBYWCBYMUADWLT-VAMGGRTRSA-N 1 3 367.578 2.725 20 30 FFEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001246308406 1039308219 /nfs/dbraw/zinc/30/82/19/1039308219.db2.gz REUDWCILTCMQDZ-NRSPTQNISA-N 1 3 373.541 2.856 20 30 FFEDHO C=C(C)COc1ccccc1CN1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001237428687 1043153308 /nfs/dbraw/zinc/15/33/08/1043153308.db2.gz CCBZTTIFSFSKMQ-GOSISDBHSA-N 1 3 358.482 2.616 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001342020261 1050618333 /nfs/dbraw/zinc/61/83/33/1050618333.db2.gz NSGBMSHTJVFONH-IBGZPJMESA-N 1 3 374.577 2.830 20 30 FFEDHO C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001342020261 1050618335 /nfs/dbraw/zinc/61/83/35/1050618335.db2.gz NSGBMSHTJVFONH-IBGZPJMESA-N 1 3 374.577 2.830 20 30 FFEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1OCC ZINC001316692596 1051351172 /nfs/dbraw/zinc/35/11/72/1051351172.db2.gz AQDYVLXFKOBIMM-XUVXKRRUSA-N 1 3 365.562 2.670 20 30 FFEDHO C#Cc1cccc(N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000847436561 1055773528 /nfs/dbraw/zinc/77/35/28/1055773528.db2.gz PHTDJLFWOZSZPE-UHFFFAOYSA-N 1 3 353.510 2.827 20 30 FFEDHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C[N@@H+]2C1 ZINC001583966811 1079289792 /nfs/dbraw/zinc/28/97/92/1079289792.db2.gz UOBYQOHLQBQDJB-DUXKGJEZSA-N 1 3 368.525 2.569 20 30 FFEDHO C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)C[N@H+]2C1 ZINC001583966811 1079289798 /nfs/dbraw/zinc/28/97/98/1079289798.db2.gz UOBYQOHLQBQDJB-DUXKGJEZSA-N 1 3 368.525 2.569 20 30 FFEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001566756019 1076980342 /nfs/dbraw/zinc/98/03/42/1076980342.db2.gz ZQVSOPZINNZKED-MBDNFAEBSA-N 1 3 367.537 2.973 20 30 FFEDHO C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001566756019 1076980345 /nfs/dbraw/zinc/98/03/45/1076980345.db2.gz ZQVSOPZINNZKED-MBDNFAEBSA-N 1 3 367.537 2.973 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000369324103 512352212 /nfs/dbraw/zinc/35/22/12/512352212.db2.gz SDVKYADKAWZDQL-MOPGFXCFSA-N 1 3 362.562 2.933 20 30 FFEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000369324103 512352214 /nfs/dbraw/zinc/35/22/14/512352214.db2.gz SDVKYADKAWZDQL-MOPGFXCFSA-N 1 3 362.562 2.933 20 30 FFEDHO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000106271158 508398760 /nfs/dbraw/zinc/39/87/60/508398760.db2.gz UGIPSWBIQBBIEA-HXUWFJFHSA-N 1 3 358.530 2.937 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(C)C ZINC000136898734 508723665 /nfs/dbraw/zinc/72/36/65/508723665.db2.gz LQVNYKREKNNFFW-HSALFYBXSA-N 1 3 362.562 2.811 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(C)C ZINC000136898734 508723666 /nfs/dbraw/zinc/72/36/66/508723666.db2.gz LQVNYKREKNNFFW-HSALFYBXSA-N 1 3 362.562 2.811 20 30 FFEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000248396165 509291907 /nfs/dbraw/zinc/29/19/07/509291907.db2.gz JYWDNKGKURQAMI-DVRVPYBTSA-N 1 3 368.525 2.541 20 30 FFEDHO N#Cc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000179309672 509368976 /nfs/dbraw/zinc/36/89/76/509368976.db2.gz PYEIJLSXBPXTKY-UHFFFAOYSA-N 1 3 368.525 2.762 20 30 FFEDHO COc1ccc(NC(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000190538272 510190843 /nfs/dbraw/zinc/19/08/43/510190843.db2.gz XSBOQYSOUMVGOY-FQEVSTJZSA-N 1 3 368.481 2.713 20 30 FFEDHO C#CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000180991709 510226763 /nfs/dbraw/zinc/22/67/63/510226763.db2.gz DQZHVYCSAQGKIH-NRFANRHFSA-N 1 3 350.462 2.555 20 30 FFEDHO C#CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000180991709 510226770 /nfs/dbraw/zinc/22/67/70/510226770.db2.gz DQZHVYCSAQGKIH-NRFANRHFSA-N 1 3 350.462 2.555 20 30 FFEDHO C#CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000270420186 510803419 /nfs/dbraw/zinc/80/34/19/510803419.db2.gz NBXPKJFIIIDNIJ-NRFANRHFSA-N 1 3 368.525 2.609 20 30 FFEDHO C[NH+]1CCC(N2CCC(NC(=O)Cn3cc4ccccc4n3)CC2)CC1 ZINC000330141757 510924675 /nfs/dbraw/zinc/92/46/75/510924675.db2.gz JSIMDLMTOPWAOG-UHFFFAOYSA-N 1 3 355.486 2.551 20 30 FFEDHO CC[C@@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329693147 512087544 /nfs/dbraw/zinc/08/75/44/512087544.db2.gz WRFPBUURPSTTPE-HUUCEWRRSA-N 1 3 350.507 2.647 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000411825139 512833049 /nfs/dbraw/zinc/83/30/49/512833049.db2.gz RGXRUWSVOFJFGS-QHAWAJNXSA-N 1 3 368.525 2.536 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000411825139 512833052 /nfs/dbraw/zinc/83/30/52/512833052.db2.gz RGXRUWSVOFJFGS-QHAWAJNXSA-N 1 3 368.525 2.536 20 30 FFEDHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421321248 513220517 /nfs/dbraw/zinc/22/05/17/513220517.db2.gz BOTPQNPLUPMNNN-UHFFFAOYSA-N 1 3 352.457 2.735 20 30 FFEDHO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414347430 514058869 /nfs/dbraw/zinc/05/88/69/514058869.db2.gz WHCQUYNANCGVKE-UYAOXDASSA-N 1 3 354.498 2.556 20 30 FFEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000455961852 514868434 /nfs/dbraw/zinc/86/84/34/514868434.db2.gz ABMBHLGCEGBWFP-LJQANCHMSA-N 1 3 357.502 2.747 20 30 FFEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000455961852 514868443 /nfs/dbraw/zinc/86/84/43/514868443.db2.gz ABMBHLGCEGBWFP-LJQANCHMSA-N 1 3 357.502 2.747 20 30 FFEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)C(C)C ZINC000503436383 515033043 /nfs/dbraw/zinc/03/30/43/515033043.db2.gz KPXUMVKDGKIVEF-LJQANCHMSA-N 1 3 350.551 2.668 20 30 FFEDHO C=C(C)CN1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000518509677 516686394 /nfs/dbraw/zinc/68/63/94/516686394.db2.gz KBSFHGFQSSFSDC-UHFFFAOYSA-N 1 3 350.551 2.981 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000563237772 517761978 /nfs/dbraw/zinc/76/19/78/517761978.db2.gz ORCWFYDKOZYSHR-OAQYLSRUSA-N 1 3 356.514 2.601 20 30 FFEDHO C=CCN1CCC(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000563237772 517761983 /nfs/dbraw/zinc/76/19/83/517761983.db2.gz ORCWFYDKOZYSHR-OAQYLSRUSA-N 1 3 356.514 2.601 20 30 FFEDHO C[C@H]1C[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C[N@@H+]1Cc1ccccc1 ZINC000576108217 518433373 /nfs/dbraw/zinc/43/33/73/518433373.db2.gz QYWVIGUKMDOPBD-PKOBYXMFSA-N 1 3 374.492 2.991 20 30 FFEDHO C[C@H]1C[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C[N@H+]1Cc1ccccc1 ZINC000576108217 518433380 /nfs/dbraw/zinc/43/33/80/518433380.db2.gz QYWVIGUKMDOPBD-PKOBYXMFSA-N 1 3 374.492 2.991 20 30 FFEDHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)C1 ZINC000594439737 519965860 /nfs/dbraw/zinc/96/58/60/519965860.db2.gz UYOJOPFPLFKDMJ-LPHOPBHVSA-N 1 3 358.486 2.757 20 30 FFEDHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)CCCCC#N)cc2)C1 ZINC000594439737 519965870 /nfs/dbraw/zinc/96/58/70/519965870.db2.gz UYOJOPFPLFKDMJ-LPHOPBHVSA-N 1 3 358.486 2.757 20 30 FFEDHO N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 ZINC000600747464 520444422 /nfs/dbraw/zinc/44/44/22/520444422.db2.gz XNMKGQNTVMHGIU-WOJBJXKFSA-N 1 3 353.510 2.933 20 30 FFEDHO COc1ccc([C@@H](C[NH3+])CNC2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595908492 520814025 /nfs/dbraw/zinc/81/40/25/520814025.db2.gz IOZUSXQFXSAMPX-IBGZPJMESA-N 1 3 365.477 2.905 20 30 FFEDHO COc1ccc([C@@H](CN)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595908492 520814032 /nfs/dbraw/zinc/81/40/32/520814032.db2.gz IOZUSXQFXSAMPX-IBGZPJMESA-N 1 3 365.477 2.905 20 30 FFEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000611587597 521240069 /nfs/dbraw/zinc/24/00/69/521240069.db2.gz FZQIAWYECKXGHU-BAGYTPMASA-N 1 3 352.526 2.865 20 30 FFEDHO