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(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000301492722 970955871 /nfs/dbraw/zinc/95/58/71/970955871.db2.gz OJVMFLBMSFBRFU-OAHLLOKOSA-N 1 0 415.987 3.596 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000302390680 971231373 /nfs/dbraw/zinc/23/13/73/971231373.db2.gz BTEHCGSIBJUAPF-DEOSSOPVSA-N 1 0 404.489 3.627 20 30 HHEDRO Cc1cc(C)n(Cc2cccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2)n1 ZINC000303033015 971467908 /nfs/dbraw/zinc/46/79/08/971467908.db2.gz QESDUBQXXLZKDX-UHFFFAOYSA-N 1 0 415.541 3.624 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000303184715 971547788 /nfs/dbraw/zinc/54/77/88/971547788.db2.gz YXTMNULJCCHTPF-UHFFFAOYSA-N 1 0 412.331 3.598 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000303243271 971576741 /nfs/dbraw/zinc/57/67/41/971576741.db2.gz CSIRINLAZQDBHX-UHFFFAOYSA-N 1 0 410.514 3.663 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1c[nH]c2ccccc12 ZINC000303327560 971632941 /nfs/dbraw/zinc/63/29/41/971632941.db2.gz VRASHIJWJSNUCO-UHFFFAOYSA-N 1 0 403.530 3.746 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000303371433 971666032 /nfs/dbraw/zinc/66/60/32/971666032.db2.gz LAEFUYVEGHMCNP-HXUWFJFHSA-N 1 0 418.944 3.772 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000303425854 971706979 /nfs/dbraw/zinc/70/69/79/971706979.db2.gz ZOIBLMSHAZQFOT-SFHVURJKSA-N 1 0 402.608 3.931 20 30 HHEDRO N#Cc1ccc(CSCC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000303497448 971796083 /nfs/dbraw/zinc/79/60/83/971796083.db2.gz XPWBKMLHJVNEGS-UHFFFAOYSA-N 1 0 403.617 3.659 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000303517394 971818461 /nfs/dbraw/zinc/81/84/61/971818461.db2.gz DMJOAVACDXCOJG-DEOSSOPVSA-N 1 0 405.542 3.922 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000303673683 971952189 /nfs/dbraw/zinc/95/21/89/971952189.db2.gz PVDGUGWLKFFYBW-OAHLLOKOSA-N 1 0 403.935 3.716 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000303673679 971952254 /nfs/dbraw/zinc/95/22/54/971952254.db2.gz PVDGUGWLKFFYBW-HNNXBMFYSA-N 1 0 403.935 3.716 20 30 HHEDRO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)Nc1cc(F)ccc1F ZINC000303685915 971962435 /nfs/dbraw/zinc/96/24/35/971962435.db2.gz ZZJRFHQVWVCEJQ-OAHLLOKOSA-N 1 0 416.472 3.615 20 30 HHEDRO [NH2+]=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303774840 972020802 /nfs/dbraw/zinc/02/08/02/972020802.db2.gz GFCZAURMYXTMKN-UHFFFAOYSA-N 1 0 409.408 3.854 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000303799919 972036235 /nfs/dbraw/zinc/03/62/35/972036235.db2.gz GPDHTMBQHRONQX-HXUWFJFHSA-N 1 0 408.542 3.926 20 30 HHEDRO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC1(c2ccc(Br)cc2)CC1 ZINC000303800726 972036954 /nfs/dbraw/zinc/03/69/54/972036954.db2.gz ATYOKSLNEVINAD-LJQANCHMSA-N 1 0 415.331 3.724 20 30 HHEDRO COc1ccc(C[C@@](C)([NH3+])CNc2c(C#N)cnc3c(OC)cc(OC)cc32)cc1 ZINC000553170271 1013131023 /nfs/dbraw/zinc/13/10/23/1013131023.db2.gz UXIXCVHBVBZTQF-HSZRJFAPSA-N 1 0 406.486 3.504 20 30 HHEDRO [NH2+]=C(NCc1ccnc(OCC(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303874956 972416322 /nfs/dbraw/zinc/41/63/22/972416322.db2.gz DIZSFMMFIFRPMM-UHFFFAOYSA-N 1 0 408.302 3.848 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303882029 972422181 /nfs/dbraw/zinc/42/21/81/972422181.db2.gz RESRDSDRHUYRAL-UXHICEINSA-N 1 0 409.534 3.598 20 30 HHEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000303882593 972422302 /nfs/dbraw/zinc/42/23/02/972422302.db2.gz LPFZXUIMBDVWRK-IPMKNSEASA-N 1 0 402.583 3.555 20 30 HHEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCNC(=O)c2ccc(O)cc2)cc1 ZINC000303911570 972483894 /nfs/dbraw/zinc/48/38/94/972483894.db2.gz ZSCXJTIMHSFJGF-UHFFFAOYSA-N 1 0 402.498 3.688 20 30 HHEDRO C=CCn1c(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nnc1-c1ccccc1 ZINC000004285911 960571730 /nfs/dbraw/zinc/57/17/30/960571730.db2.gz DIGGOZSVZJNSIW-HXUWFJFHSA-N 1 0 421.570 3.642 20 30 HHEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000553237722 1013203796 /nfs/dbraw/zinc/20/37/96/1013203796.db2.gz FVGSZZWQJUXCJS-KRWDZBQOSA-N 1 0 402.970 3.666 20 30 HHEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C2CC2)cc1 ZINC000542247014 1013205990 /nfs/dbraw/zinc/20/59/90/1013205990.db2.gz DVLXEGPPNODTQN-IBGZPJMESA-N 1 0 401.304 3.725 20 30 HHEDRO COc1ccccc1[C@@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)[NH+](C)C ZINC000553250589 1013216047 /nfs/dbraw/zinc/21/60/47/1013216047.db2.gz DYJVGPKPQJCHAK-MRXNPFEDSA-N 1 0 400.404 3.669 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c(OC)c1 ZINC000553283082 1013240969 /nfs/dbraw/zinc/24/09/69/1013240969.db2.gz LAMVYHAMKFSTML-NRFANRHFSA-N 1 0 415.505 3.598 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000553288681 1013244831 /nfs/dbraw/zinc/24/48/31/1013244831.db2.gz KJJICVFLSRSZRL-FXAWDEMLSA-N 1 0 408.521 3.769 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000553397456 1013326386 /nfs/dbraw/zinc/32/63/86/1013326386.db2.gz RJCXUZXGXSUFSW-FRHQNKJESA-N 1 0 409.574 3.628 20 30 HHEDRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000537766080 1013329230 /nfs/dbraw/zinc/32/92/30/1013329230.db2.gz AVRLKZKWLSFUAR-RHSMWYFYSA-N 1 0 402.539 3.971 20 30 HHEDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000542473218 1013421029 /nfs/dbraw/zinc/42/10/29/1013421029.db2.gz UEMKBGKJJMQDRR-AEFFLSMTSA-N 1 0 411.477 3.569 20 30 HHEDRO C=CCN(C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000537857572 1013427931 /nfs/dbraw/zinc/42/79/31/1013427931.db2.gz NYGJXJQITMMXDB-UHFFFAOYSA-N 1 0 404.558 3.869 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(C)n(C)c2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691445 963698703 /nfs/dbraw/zinc/69/87/03/963698703.db2.gz IRDRPICKBLSOSW-LJQANCHMSA-O 1 0 414.595 3.589 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCC2)C(=S)NC[C@H]1CCCO1 ZINC000022692000 963698815 /nfs/dbraw/zinc/69/88/15/963698815.db2.gz WFOATNRCTSTILH-OAQYLSRUSA-O 1 0 409.575 3.733 20 30 HHEDRO COc1ccc(CNC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2ccccc2)cc1 ZINC000022692765 963699615 /nfs/dbraw/zinc/69/96/15/963699615.db2.gz IAKOAKDGYFNEHP-UHFFFAOYSA-O 1 0 408.547 3.667 20 30 HHEDRO O=C(c1cccc([N+](=O)[O-])c1)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000022735009 963706106 /nfs/dbraw/zinc/70/61/06/963706106.db2.gz YQPRUXONQARYOK-UHFFFAOYSA-O 1 0 406.487 3.653 20 30 HHEDRO CCCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc(N(C)C)cc1 ZINC000022803997 963720577 /nfs/dbraw/zinc/72/05/77/963720577.db2.gz ZLHSKPHFMIRGHL-UHFFFAOYSA-O 1 0 421.384 3.741 20 30 HHEDRO CNC(=O)COc1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000048779005 964057566 /nfs/dbraw/zinc/05/75/66/964057566.db2.gz HSSISROVVDYOCN-UHFFFAOYSA-N 1 0 415.493 3.552 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC000025300211 964233260 /nfs/dbraw/zinc/23/32/60/964233260.db2.gz KGYJDFXCMGFSDP-QFIPXVFZSA-N 1 0 424.541 3.514 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000025934221 964395525 /nfs/dbraw/zinc/39/55/25/964395525.db2.gz QVZYGRIVNUWGRS-UHFFFAOYSA-N 1 0 414.912 3.887 20 30 HHEDRO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000051852227 964722009 /nfs/dbraw/zinc/72/20/09/964722009.db2.gz YTCZQSSBDCZNOD-UHFFFAOYSA-N 1 0 412.921 3.761 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000537933094 1013518396 /nfs/dbraw/zinc/51/83/96/1013518396.db2.gz KQQPIGWQCALSMD-UHFFFAOYSA-N 1 0 416.481 3.772 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCN(c3ccccc3C#N)CC1)CCC2 ZINC000052801296 964988691 /nfs/dbraw/zinc/98/86/91/964988691.db2.gz BIMVMLWYMLRDRN-UHFFFAOYSA-N 1 0 419.554 3.521 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(-n2cccn2)cc1 ZINC000053050986 965049778 /nfs/dbraw/zinc/04/97/78/965049778.db2.gz XWZLXOYGYDMXQF-UHFFFAOYSA-N 1 0 408.575 3.971 20 30 HHEDRO CCc1cccc(CC)c1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960546 965226209 /nfs/dbraw/zinc/22/62/09/965226209.db2.gz UFYBPMBNLNDBKD-UHFFFAOYSA-N 1 0 404.558 3.829 20 30 HHEDRO COc1ccc2c(c1)CCC[C@H]2CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000057044718 965262499 /nfs/dbraw/zinc/26/24/99/965262499.db2.gz XLYSYYAYRSRKRU-QFIPXVFZSA-N 1 0 405.542 3.967 20 30 HHEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340363 965481925 /nfs/dbraw/zinc/48/19/25/965481925.db2.gz XPZVUBRTJKEUMB-SFHVURJKSA-N 1 0 407.514 3.761 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000029781432 965497467 /nfs/dbraw/zinc/49/74/67/965497467.db2.gz XNSWCIAFONGLAV-MRXNPFEDSA-N 1 0 412.921 3.760 20 30 HHEDRO C[C@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454799 965524487 /nfs/dbraw/zinc/52/44/87/965524487.db2.gz ZXGSTPWXGHKZCL-SFHVURJKSA-N 1 0 410.949 3.597 20 30 HHEDRO CCOc1ccc(OCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983925 965582585 /nfs/dbraw/zinc/58/25/85/965582585.db2.gz VPIVOYHZZPRGOV-UHFFFAOYSA-N 1 0 421.541 3.850 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054785369 965647140 /nfs/dbraw/zinc/64/71/40/965647140.db2.gz GDIBJCVTAIXDMR-NRFANRHFSA-N 1 0 410.493 3.684 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000030653504 965755777 /nfs/dbraw/zinc/75/57/77/965755777.db2.gz FVQWIYWXXZZTQO-UHFFFAOYSA-N 1 0 400.544 3.503 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[NH+]1CCCCC1 ZINC000055752506 966048719 /nfs/dbraw/zinc/04/87/19/966048719.db2.gz HYSBDBDJZZSSIJ-GHTZIAJQSA-N 1 0 407.514 3.678 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)ccc1OC ZINC000060947210 966333365 /nfs/dbraw/zinc/33/33/65/966333365.db2.gz FONHIOOLNOQVMG-UHFFFAOYSA-N 1 0 423.557 3.843 20 30 HHEDRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000061024705 966354296 /nfs/dbraw/zinc/35/42/96/966354296.db2.gz CZERNDKTIHZINR-UHFFFAOYSA-N 1 0 421.522 3.799 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000056805425 966472958 /nfs/dbraw/zinc/47/29/58/966472958.db2.gz DATMLLWLDVBFOM-FQEVSTJZSA-N 1 0 412.921 3.809 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000062231301 966628552 /nfs/dbraw/zinc/62/85/52/966628552.db2.gz PWIHCRAYRCRXRG-JOCHJYFZSA-N 1 0 408.542 3.831 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000043139383 966914986 /nfs/dbraw/zinc/91/49/86/966914986.db2.gz XETXABKEUGMDGR-HSZRJFAPSA-N 1 0 406.530 3.935 20 30 HHEDRO COc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000043404641 966965994 /nfs/dbraw/zinc/96/59/94/966965994.db2.gz DNHGAJAFFIVQNX-UHFFFAOYSA-N 1 0 408.502 3.624 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000043523353 966991975 /nfs/dbraw/zinc/99/19/75/966991975.db2.gz RMZOTLSSRDSACB-UHFFFAOYSA-N 1 0 407.562 3.649 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[NH+]2CCCC2)o1 ZINC000542838497 1013700612 /nfs/dbraw/zinc/70/06/12/1013700612.db2.gz CEVFVHDJDKACCE-IBGZPJMESA-N 1 0 422.464 3.743 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064346666 967148541 /nfs/dbraw/zinc/14/85/41/967148541.db2.gz INBSKGZJNNRUNE-UHFFFAOYSA-N 1 0 403.526 3.800 20 30 HHEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000538144029 1013704630 /nfs/dbraw/zinc/70/46/30/1013704630.db2.gz OMTMVUPDQCHEQF-OAQYLSRUSA-N 1 0 404.432 3.600 20 30 HHEDRO COC(=O)CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000064558993 967234302 /nfs/dbraw/zinc/23/43/02/967234302.db2.gz RTIDKVNPIUYKAZ-UHFFFAOYSA-N 1 0 402.539 3.551 20 30 HHEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000538161031 1013722775 /nfs/dbraw/zinc/72/27/75/1013722775.db2.gz HRQSELWTYKUPOM-KRWDZBQOSA-N 1 0 403.486 3.820 20 30 HHEDRO CC(C)Oc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045641353 967524167 /nfs/dbraw/zinc/52/41/67/967524167.db2.gz SLXDMWHBSCEHNT-UHFFFAOYSA-N 1 0 406.530 3.763 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCC(C)CC1 ZINC000065601346 967540890 /nfs/dbraw/zinc/54/08/90/967540890.db2.gz DCDRRDBMVHLQCV-SFHVURJKSA-N 1 0 420.513 3.526 20 30 HHEDRO N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000045942084 967603177 /nfs/dbraw/zinc/60/31/77/967603177.db2.gz IBENTXABOAKLIS-UHFFFAOYSA-N 1 0 404.514 3.944 20 30 HHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000046608965 967879100 /nfs/dbraw/zinc/87/91/00/967879100.db2.gz LOKIHNLDMNFNBG-MRXNPFEDSA-N 1 0 416.472 3.994 20 30 HHEDRO Cc1cc(C)n(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000047010696 968031397 /nfs/dbraw/zinc/03/13/97/968031397.db2.gz QOADUCYAEVYHLN-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000047121276 968058231 /nfs/dbraw/zinc/05/82/31/968058231.db2.gz JJVOPMJWCCTYNS-SFHVURJKSA-N 1 0 407.514 3.636 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000047281182 968119861 /nfs/dbraw/zinc/11/98/61/968119861.db2.gz YZWUNTGFUYYWBV-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542941724 1013774626 /nfs/dbraw/zinc/77/46/26/1013774626.db2.gz DNJUFXWZLDIPGF-VGOFRKELSA-N 1 0 407.514 3.580 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccnc(N4CCOCC4)c3)c2)c1 ZINC000047701300 968278061 /nfs/dbraw/zinc/27/80/61/968278061.db2.gz PPUGZWUHPCBFIF-UHFFFAOYSA-N 1 0 414.509 3.659 20 30 HHEDRO COc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2=O)c(OC)c1 ZINC000554078846 1013788911 /nfs/dbraw/zinc/78/89/11/1013788911.db2.gz NNEITEHVXHMHQX-XZOQPEGZSA-N 1 0 419.525 3.734 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911335 968359997 /nfs/dbraw/zinc/35/99/97/968359997.db2.gz GSSRYKDCUVFYIM-DOTOQJQBSA-N 1 0 410.326 3.845 20 30 HHEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000538251018 1013795247 /nfs/dbraw/zinc/79/52/47/1013795247.db2.gz BVCZPWJZEMDEBR-UHFFFAOYSA-N 1 0 423.565 3.725 20 30 HHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000048125543 968442039 /nfs/dbraw/zinc/44/20/39/968442039.db2.gz FIFWPULNZYIUJG-UHFFFAOYSA-N 1 0 405.502 3.805 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000048161156 968463386 /nfs/dbraw/zinc/46/33/86/968463386.db2.gz YAZWAFUECWXIJL-UHFFFAOYSA-N 1 0 410.493 3.528 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nc(-c2cccs2)no1 ZINC000065930491 968720667 /nfs/dbraw/zinc/72/06/67/968720667.db2.gz ORHKWSBXDVZBOI-UHFFFAOYSA-N 1 0 423.542 3.583 20 30 HHEDRO Cc1ccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cs2)o1 ZINC000065930591 968720750 /nfs/dbraw/zinc/72/07/50/968720750.db2.gz OJFGSPRQHOJEIL-UHFFFAOYSA-N 1 0 408.527 3.716 20 30 HHEDRO Cc1nc2ccccc2c(C)c1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930160 968720831 /nfs/dbraw/zinc/72/08/31/968720831.db2.gz BOMLJPPJUFEOBB-UHFFFAOYSA-N 1 0 400.526 3.856 20 30 HHEDRO CCOc1c(Cl)cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1OC ZINC000065931380 968721973 /nfs/dbraw/zinc/72/19/73/968721973.db2.gz KKBHUJARALDCEY-UHFFFAOYSA-N 1 0 415.921 3.823 20 30 HHEDRO CCOc1cccc([C@@H]2C[C@@H]2NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000538304551 1013838159 /nfs/dbraw/zinc/83/81/59/1013838159.db2.gz IGMKGDXIFBTWSJ-ZEQRLZLVSA-N 1 0 418.541 3.730 20 30 HHEDRO C=CCOc1cccc(NC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000554180002 1013839673 /nfs/dbraw/zinc/83/96/73/1013839673.db2.gz UOISEFJYMUVHSS-HSZRJFAPSA-N 1 0 420.557 3.675 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2)cc1 ZINC000078994411 969027092 /nfs/dbraw/zinc/02/70/92/969027092.db2.gz XJQJILYTZKGTNK-FQEVSTJZSA-N 1 0 405.498 3.535 20 30 HHEDRO C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097061470 969086481 /nfs/dbraw/zinc/08/64/81/969086481.db2.gz WOFDOHFJPMKRBX-UTKZUKDTSA-N 1 0 420.582 3.703 20 30 HHEDRO CCOc1ccccc1NC(=O)[C@@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000097571229 969164873 /nfs/dbraw/zinc/16/48/73/969164873.db2.gz OTYQYFZVXRERLS-GOSISDBHSA-N 1 0 424.545 3.735 20 30 HHEDRO Cc1ccc(NC(=O)[C@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1F ZINC000097571472 969166142 /nfs/dbraw/zinc/16/61/42/969166142.db2.gz GDVUVLUEIJKWLG-KRWDZBQOSA-N 1 0 412.509 3.784 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109307124 969495741 /nfs/dbraw/zinc/49/57/41/969495741.db2.gz YHYJRDXROXRJLT-QPPBQGQZSA-N 1 0 405.542 3.990 20 30 HHEDRO COc1cc(C#N)ccc1OC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110124252 969626610 /nfs/dbraw/zinc/62/66/10/969626610.db2.gz OHAZITIXBDLNMZ-FQEVSTJZSA-N 1 0 404.388 3.927 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000111178347 969795206 /nfs/dbraw/zinc/79/52/06/969795206.db2.gz QXIVUIRUFZUBMU-UHFFFAOYSA-N 1 0 405.477 3.981 20 30 HHEDRO NC(=NOCC(=O)Nc1ccc(F)cc1Cl)c1ccccc1C[NH+]1CCCCC1 ZINC000116689418 969914416 /nfs/dbraw/zinc/91/44/16/969914416.db2.gz BJOYXTQSICLHDW-UHFFFAOYSA-N 1 0 418.900 3.741 20 30 HHEDRO CC(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000117174565 969940288 /nfs/dbraw/zinc/94/02/88/969940288.db2.gz FSTHMFSRXLOEHK-QHCPKHFHSA-N 1 0 407.583 3.991 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000134159873 969975004 /nfs/dbraw/zinc/97/50/04/969975004.db2.gz FOEWTGMDVNKWLK-GOSISDBHSA-O 1 0 400.568 3.579 20 30 HHEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000140064943 970060947 /nfs/dbraw/zinc/06/09/47/970060947.db2.gz HSEVAISLHRLQPG-QGZVFWFLSA-N 1 0 408.527 3.954 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000144840390 970244231 /nfs/dbraw/zinc/24/42/31/970244231.db2.gz OVDVZVUTNBIJGG-UHFFFAOYSA-N 1 0 418.541 3.574 20 30 HHEDRO COc1cccc(C(=O)NCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000237337918 970266428 /nfs/dbraw/zinc/26/64/28/970266428.db2.gz UJMKJYFZBYHTMM-UHFFFAOYSA-N 1 0 415.493 3.665 20 30 HHEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237547901 970311491 /nfs/dbraw/zinc/31/14/91/970311491.db2.gz ASZCEKLNUJBKPF-PMACEKPBSA-N 1 0 406.526 3.628 20 30 HHEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237607474 970321137 /nfs/dbraw/zinc/32/11/37/970321137.db2.gz JMSXNZZERCRPBF-SFHVURJKSA-N 1 0 410.537 3.987 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)c2c(F)cccc2F)c1 ZINC000237765828 970360488 /nfs/dbraw/zinc/36/04/88/970360488.db2.gz PZGRQKQLPYBLIJ-UHFFFAOYSA-N 1 0 421.447 3.935 20 30 HHEDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000237772296 970362764 /nfs/dbraw/zinc/36/27/64/970362764.db2.gz RTCLZARPXDBQGL-QHCPKHFHSA-N 1 0 402.494 3.975 20 30 HHEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237828899 970376456 /nfs/dbraw/zinc/37/64/56/970376456.db2.gz FUJYWNXQGVPVIM-UHFFFAOYSA-N 1 0 404.432 3.844 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)c(-c2ccccc2)n1 ZINC000237830631 970376580 /nfs/dbraw/zinc/37/65/80/970376580.db2.gz XPFKWFYADGAVOG-XMMPIXPASA-N 1 0 415.541 3.627 20 30 HHEDRO N#Cc1ccc2ncc(CNc3ccc(NC(=O)C[NH+]4CCCCCC4)cc3)n2c1 ZINC000238101613 970440224 /nfs/dbraw/zinc/44/02/24/970440224.db2.gz OSFKDJSEWBBKFZ-UHFFFAOYSA-N 1 0 402.502 3.633 20 30 HHEDRO CCC(C)(C)NC(=S)C(C(=O)c1cccc(OC)c1)[n+]1ccc(N(C)C)cc1 ZINC000186970289 970493583 /nfs/dbraw/zinc/49/35/83/970493583.db2.gz UWZQNNNSRFYRDF-UHFFFAOYSA-O 1 0 400.568 3.766 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195548627 970505511 /nfs/dbraw/zinc/50/55/11/970505511.db2.gz KMOKNHYYRVFLOG-UHFFFAOYSA-N 1 0 421.438 3.969 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCCC(=O)Nc2cc(Br)ccc2C)cc1 ZINC000303971379 972559135 /nfs/dbraw/zinc/55/91/35/972559135.db2.gz DNTAYRRCFYMIER-UHFFFAOYSA-N 1 0 405.296 3.522 20 30 HHEDRO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304466288 972601206 /nfs/dbraw/zinc/60/12/06/972601206.db2.gz BOIXOFKSVIHJNS-CQSZACIVSA-N 1 0 422.451 3.718 20 30 HHEDRO COc1cc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)ccc1OCC(F)(F)F ZINC000304498837 972601712 /nfs/dbraw/zinc/60/17/12/972601712.db2.gz QWJFJLZFFUOKIJ-HNNXBMFYSA-N 1 0 409.408 3.564 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(Sc3ccccc3)CCCC2)CC1 ZINC000304751309 972604042 /nfs/dbraw/zinc/60/40/42/972604042.db2.gz JETWSVKUZNAKDQ-UHFFFAOYSA-N 1 0 404.580 3.617 20 30 HHEDRO [NH2+]=C(NCCCc1ccc(Br)cc1F)N[C@H]1CCOc2ccccc21 ZINC000304765920 972607296 /nfs/dbraw/zinc/60/72/96/972607296.db2.gz ZYTHSPCNAAFRQU-KRWDZBQOSA-N 1 0 406.299 3.949 20 30 HHEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000304771853 972607314 /nfs/dbraw/zinc/60/73/14/972607314.db2.gz AHKUDMJPJGPPCN-MRXNPFEDSA-N 1 0 413.545 3.517 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(C)cc2OCC(F)(F)F)cc1OC ZINC000304931610 972608338 /nfs/dbraw/zinc/60/83/38/972608338.db2.gz DBHYKVQIKHECKG-UHFFFAOYSA-N 1 0 411.424 3.558 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCCc2csc(-c3ccccc3)n2)cc1OC ZINC000304836717 972608357 /nfs/dbraw/zinc/60/83/57/972608357.db2.gz OALFCOQLCPQIIX-UHFFFAOYSA-N 1 0 410.543 3.517 20 30 HHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000305239248 972611886 /nfs/dbraw/zinc/61/18/86/972611886.db2.gz PRQLQCADRRRZOY-ZDUSSCGKSA-N 1 0 416.444 3.959 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(-c3ccccc3C#N)cc2)cc1OC ZINC000305763669 972615007 /nfs/dbraw/zinc/61/50/07/972615007.db2.gz BBMVFMRLUHBXRY-UHFFFAOYSA-N 1 0 400.482 3.847 20 30 HHEDRO N#Cc1ccc(Br)cc1N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404215816 972882959 /nfs/dbraw/zinc/88/29/59/972882959.db2.gz XJBDIFWHOCQZFH-SFTDATJTSA-N 1 0 412.331 3.800 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000409461006 972906878 /nfs/dbraw/zinc/90/68/78/972906878.db2.gz MAGROLMBHYALMV-UHFFFAOYSA-N 1 0 413.525 3.906 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1C(F)(F)F ZINC000409556274 973010929 /nfs/dbraw/zinc/01/09/29/973010929.db2.gz WYBPOFZUDPYVSW-UHFFFAOYSA-N 1 0 423.460 3.651 20 30 HHEDRO CCC[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409897753 973360323 /nfs/dbraw/zinc/36/03/23/973360323.db2.gz CHRFEPLAXYDDRA-HSZRJFAPSA-N 1 0 413.525 3.871 20 30 HHEDRO N#CC1(CCC[NH+]2CCN(Cc3ccc(Br)s3)CC2)CCOCC1 ZINC000410313292 973857426 /nfs/dbraw/zinc/85/74/26/973857426.db2.gz LXALEIVZWADQHJ-UHFFFAOYSA-N 1 0 412.397 3.729 20 30 HHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000410375211 973973382 /nfs/dbraw/zinc/97/33/82/973973382.db2.gz PBOHPFRYHAQVTH-UHFFFAOYSA-N 1 0 423.536 3.569 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2)cc1 ZINC000426107766 974231886 /nfs/dbraw/zinc/23/18/86/974231886.db2.gz BHMQDKMKWZYYDO-GOTSBHOMSA-N 1 0 420.513 3.850 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)cc1 ZINC000426109969 974232333 /nfs/dbraw/zinc/23/23/33/974232333.db2.gz DHTCVAAJBJIUAV-GOTSBHOMSA-N 1 0 420.513 3.850 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000426111175 974234091 /nfs/dbraw/zinc/23/40/91/974234091.db2.gz HUTAKLDZBNRQDY-NZQKXSOJSA-N 1 0 409.530 3.646 20 30 HHEDRO FC(F)(F)COCCC[NH+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426355474 974412059 /nfs/dbraw/zinc/41/20/59/974412059.db2.gz ALFJAQUHHGOQHU-UHFFFAOYSA-N 1 0 408.386 3.644 20 30 HHEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426512769 974498315 /nfs/dbraw/zinc/49/83/15/974498315.db2.gz DAVKNSPZYODCCB-GOSISDBHSA-N 1 0 420.513 3.526 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000426957623 974778351 /nfs/dbraw/zinc/77/83/51/974778351.db2.gz UHNHNVPBNGSYFN-BJKOFHAPSA-N 1 0 420.557 3.769 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccc(F)c(C)c1 ZINC000427112707 974913566 /nfs/dbraw/zinc/91/35/66/974913566.db2.gz DOZCRCVVYLKOIV-UHFFFAOYSA-N 1 0 402.539 3.915 20 30 HHEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427240968 975000025 /nfs/dbraw/zinc/00/00/25/975000025.db2.gz GOYOQMRPJHGXRP-UHFFFAOYSA-N 1 0 400.530 3.795 20 30 HHEDRO CC[N@H+](CCNC(=O)c1cc(C2CC2)nc(SC)c1C#N)CCC(F)(F)F ZINC000427439240 975118149 /nfs/dbraw/zinc/11/81/49/975118149.db2.gz OOKSIHZRTBDKOJ-UHFFFAOYSA-N 1 0 400.470 3.557 20 30 HHEDRO C=CCCCS(=O)(=O)N(c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000427752749 975268751 /nfs/dbraw/zinc/26/87/51/975268751.db2.gz NXFDMRWMKAGIPC-UHFFFAOYSA-N 1 0 401.370 3.646 20 30 HHEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000427787332 975288609 /nfs/dbraw/zinc/28/86/09/975288609.db2.gz VSQVSMFKJMWOED-INIZCTEOSA-N 1 0 423.460 3.649 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000427826125 975310805 /nfs/dbraw/zinc/31/08/05/975310805.db2.gz ZSQALFRMIBCBDR-PZROIBLQSA-N 1 0 401.557 3.789 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1OCCc2sccc21 ZINC000427868026 975328818 /nfs/dbraw/zinc/32/88/18/975328818.db2.gz VSTLXNUMFYUUDX-QEEYODRMSA-N 1 0 401.507 3.814 20 30 HHEDRO COCCN1c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000427970280 975370707 /nfs/dbraw/zinc/37/07/07/975370707.db2.gz YMDBESRTOCMOLF-UHFFFAOYSA-N 1 0 418.541 3.560 20 30 HHEDRO Cc1ccc(-c2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)[nH]n2)c(C)c1 ZINC000428047646 975405003 /nfs/dbraw/zinc/40/50/03/975405003.db2.gz JOZYSVQITKOQQD-UHFFFAOYSA-N 1 0 413.525 3.982 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C[N@H+]4CC[C@H](O)C4)c3)cc2)nc1 ZINC000428531246 975825387 /nfs/dbraw/zinc/82/53/87/975825387.db2.gz FKEDKPSXSOZJCG-NRFANRHFSA-N 1 0 414.465 3.564 20 30 HHEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000429024997 976308000 /nfs/dbraw/zinc/30/80/00/976308000.db2.gz AZWZXVHFHXCADN-KRWDZBQOSA-N 1 0 414.937 3.752 20 30 HHEDRO C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000429094215 976378869 /nfs/dbraw/zinc/37/88/69/976378869.db2.gz PLRWZNYEPAWYPO-AZUAARDMSA-N 1 0 405.546 3.847 20 30 HHEDRO C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000429094219 976379128 /nfs/dbraw/zinc/37/91/28/976379128.db2.gz PLRWZNYEPAWYPO-QUCCMNQESA-N 1 0 405.546 3.847 20 30 HHEDRO C[NH+](C)CCCOC1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429207117 976500752 /nfs/dbraw/zinc/50/07/52/976500752.db2.gz HNSQXZZQHAOESX-UHFFFAOYSA-N 1 0 400.748 3.911 20 30 HHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000429395040 976669548 /nfs/dbraw/zinc/66/95/48/976669548.db2.gz AYFOSXMGVXPVHS-ILBGXUMGSA-N 1 0 412.622 3.706 20 30 HHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cccc(Br)c3F)CC2)cc1 ZINC000429721267 977011055 /nfs/dbraw/zinc/01/10/55/977011055.db2.gz GVJSKDRGUSXKSY-UHFFFAOYSA-N 1 0 416.294 3.808 20 30 HHEDRO N#CCCn1ncc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1-c1ccccc1 ZINC000429733721 977024124 /nfs/dbraw/zinc/02/41/24/977024124.db2.gz YBUQWMTWRNVXKL-UHFFFAOYSA-N 1 0 413.525 3.990 20 30 HHEDRO COc1cccc([C@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)[NH+](C)C)c1 ZINC000429738118 977029814 /nfs/dbraw/zinc/02/98/14/977029814.db2.gz VLXAMMLKGGYJJL-QFIPXVFZSA-N 1 0 417.513 3.505 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429792828 977071839 /nfs/dbraw/zinc/07/18/39/977071839.db2.gz VCMYMJNLNJLTQY-PZJWPPBQSA-N 1 0 420.960 3.935 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(F)(F)F ZINC000430167115 977362184 /nfs/dbraw/zinc/36/21/84/977362184.db2.gz GGNRASLNMLYWDB-INIZCTEOSA-N 1 0 407.392 3.556 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccncc1 ZINC000430175238 977369950 /nfs/dbraw/zinc/36/99/50/977369950.db2.gz BVCPQRFBDLEJLU-OAQYLSRUSA-N 1 0 416.481 3.589 20 30 HHEDRO N#CCC1(CNC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000430180819 977373582 /nfs/dbraw/zinc/37/35/82/977373582.db2.gz RWZBMQLRMQNMMX-UHFFFAOYSA-N 1 0 417.557 3.502 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430647227 977666800 /nfs/dbraw/zinc/66/68/00/977666800.db2.gz FFCQCLXUKZIXNI-GCJKJVERSA-N 1 0 407.562 3.516 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H](c2ccccc2)[NH+]2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430949318 977908832 /nfs/dbraw/zinc/90/88/32/977908832.db2.gz CCOIEPRHZIQKKN-GOTSBHOMSA-N 1 0 403.526 3.885 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000431145999 978048252 /nfs/dbraw/zinc/04/82/52/978048252.db2.gz KOJCALBVUOEAEU-UHFFFAOYSA-N 1 0 412.494 3.587 20 30 HHEDRO N#CCCC[C@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000431812603 978532119 /nfs/dbraw/zinc/53/21/19/978532119.db2.gz ODGDZLDOLUWGOL-DEOSSOPVSA-N 1 0 419.573 3.539 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000431817896 978535242 /nfs/dbraw/zinc/53/52/42/978535242.db2.gz LCPQXBGMLOLWJY-XMMPIXPASA-N 1 0 419.573 3.668 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000431983785 978631207 /nfs/dbraw/zinc/63/12/07/978631207.db2.gz WXSKMTMMYJOUNY-HDICACEKSA-N 1 0 418.541 3.600 20 30 HHEDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC1 ZINC000432010214 978643545 /nfs/dbraw/zinc/64/35/45/978643545.db2.gz ARWWBPWKHNXFTQ-UHFFFAOYSA-N 1 0 403.548 3.635 20 30 HHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)C1 ZINC000432918306 979011094 /nfs/dbraw/zinc/01/10/94/979011094.db2.gz OHQPNBADDVRSQB-XMMPIXPASA-N 1 0 404.514 3.891 20 30 HHEDRO COC(=O)c1sc2[nH]c(C[NH2+][C@@H](CCCC#N)c3ccccc3)nc(=O)c2c1C ZINC000433011220 979040988 /nfs/dbraw/zinc/04/09/88/979040988.db2.gz NFAFXVJTEUEGCT-HNNXBMFYSA-N 1 0 410.499 3.604 20 30 HHEDRO N#CCCC[C@H]([NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000433010756 979041032 /nfs/dbraw/zinc/04/10/32/979041032.db2.gz LPKPYVMSEFBBOB-IOFSEFHDSA-N 1 0 408.546 3.806 20 30 HHEDRO N#CCCC[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000433019231 979043806 /nfs/dbraw/zinc/04/38/06/979043806.db2.gz MFUFXMGNJGUNRL-IBGZPJMESA-N 1 0 422.485 3.521 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)c(-c2ccncc2)n1 ZINC000433312689 979230566 /nfs/dbraw/zinc/23/05/66/979230566.db2.gz NAJKBTPRFCNODF-UHFFFAOYSA-N 1 0 420.483 3.613 20 30 HHEDRO Cc1ccccc1CN1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433315900 979232176 /nfs/dbraw/zinc/23/21/76/979232176.db2.gz COSRHKABWLBSFN-UHFFFAOYSA-N 1 0 414.557 3.921 20 30 HHEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)OCO2 ZINC000433321468 979235414 /nfs/dbraw/zinc/23/54/14/979235414.db2.gz OBXGEYPVJOFZIK-UHFFFAOYSA-N 1 0 403.486 3.655 20 30 HHEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433321638 979235518 /nfs/dbraw/zinc/23/55/18/979235518.db2.gz YOHOTEHMPAOMPM-XXBNENTESA-N 1 0 400.530 3.784 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c(-c2ccncc2)n1 ZINC000433329690 979241606 /nfs/dbraw/zinc/24/16/06/979241606.db2.gz ZJHSWFGEQKHBPU-UHFFFAOYSA-N 1 0 419.504 3.836 20 30 HHEDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433336603 979246347 /nfs/dbraw/zinc/24/63/47/979246347.db2.gz AAPFXDJKJRISFE-UHFFFAOYSA-N 1 0 402.502 3.887 20 30 HHEDRO Cc1nccn1-c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000433343603 979251293 /nfs/dbraw/zinc/25/12/93/979251293.db2.gz OKVAGMMNLLSDJP-UHFFFAOYSA-N 1 0 415.476 3.782 20 30 HHEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434872685 980460277 /nfs/dbraw/zinc/46/02/77/980460277.db2.gz DNRVNUUQJAWTCM-KBXCAEBGSA-N 1 0 401.557 3.814 20 30 HHEDRO COCCSc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434872687 980460494 /nfs/dbraw/zinc/46/04/94/980460494.db2.gz DNRVNUUQJAWTCM-KSSFIOAISA-N 1 0 401.557 3.814 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1Br ZINC000434878767 980463751 /nfs/dbraw/zinc/46/37/51/980463751.db2.gz FQSOILVRJWALNL-ABAIWWIYSA-N 1 0 420.332 3.847 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NCc3cn(CCC#N)nc3-c3ccncc3)c2)CC1 ZINC000434982635 980548403 /nfs/dbraw/zinc/54/84/03/980548403.db2.gz MOTQQOMEMLHHDS-UHFFFAOYSA-N 1 0 415.545 3.613 20 30 HHEDRO N#Cc1ccsc1N1CC[C@@H](N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000435025001 980579909 /nfs/dbraw/zinc/57/99/09/980579909.db2.gz GWDCNATXCQTILQ-ZJSXRUAMSA-N 1 0 420.582 3.713 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3(c4cccc(C#N)c4)CC3)cc2)C[C@@H](C)O1 ZINC000435044356 980592130 /nfs/dbraw/zinc/59/21/30/980592130.db2.gz FXKFBQPESRDUDW-RTBURBONSA-N 1 0 403.526 3.515 20 30 HHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000435057975 980602349 /nfs/dbraw/zinc/60/23/49/980602349.db2.gz RDFLQJOLFUHIHI-FQEVSTJZSA-N 1 0 423.517 3.819 20 30 HHEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC)c(OC)c1 ZINC000435131279 980662217 /nfs/dbraw/zinc/66/22/17/980662217.db2.gz COCZSBDZUKGWFR-UHFFFAOYSA-N 1 0 405.502 3.898 20 30 HHEDRO C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000435132803 980663933 /nfs/dbraw/zinc/66/39/33/980663933.db2.gz ZVPNFELZDXNTDX-NRFANRHFSA-N 1 0 414.557 3.955 20 30 HHEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132555 980664015 /nfs/dbraw/zinc/66/40/15/980664015.db2.gz KEEKCVYRRFZRKM-FQEVSTJZSA-N 1 0 414.513 3.709 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@H](C)C1 ZINC000435544980 980932832 /nfs/dbraw/zinc/93/28/32/980932832.db2.gz HKADUTLPYKIKTL-YLJYHZDGSA-N 1 0 402.539 3.604 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000435548082 980935298 /nfs/dbraw/zinc/93/52/98/980935298.db2.gz MGTVPNLKQXUSDL-UHFFFAOYSA-N 1 0 402.539 3.700 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000435750561 981015714 /nfs/dbraw/zinc/01/57/14/981015714.db2.gz YJKRUYWPLXECQB-HYBUGGRVSA-N 1 0 416.562 3.547 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000436103068 981201609 /nfs/dbraw/zinc/20/16/09/981201609.db2.gz MRLABBORTIXESD-OALUTQOASA-N 1 0 403.526 3.515 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1(c3ccc(C#N)cc3)CC1)c1ccccc1O2 ZINC000436104871 981202472 /nfs/dbraw/zinc/20/24/72/981202472.db2.gz QYUQEXQPDIGEKJ-OAQYLSRUSA-N 1 0 401.510 3.694 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000436308485 981290635 /nfs/dbraw/zinc/29/06/35/981290635.db2.gz UGOJDIBPKPLIPR-GOSISDBHSA-N 1 0 420.532 3.748 20 30 HHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437096675 981758831 /nfs/dbraw/zinc/75/88/31/981758831.db2.gz MTJCXLKGQCUFOK-FSVZKANZSA-N 1 0 405.546 3.538 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000460122131 981897777 /nfs/dbraw/zinc/89/77/77/981897777.db2.gz XKFFBYPZHFGISQ-PKTZIBPZSA-N 1 0 421.566 3.789 20 30 HHEDRO CCn1c(Cc2ccccc2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460319334 982097310 /nfs/dbraw/zinc/09/73/10/982097310.db2.gz UNZSEEABTIGCDM-UHFFFAOYSA-N 1 0 414.557 3.781 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000460341507 982113819 /nfs/dbraw/zinc/11/38/19/982113819.db2.gz BVXRBXLEGYKBEW-IRXDYDNUSA-N 1 0 410.949 3.896 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000460371154 982147825 /nfs/dbraw/zinc/14/78/25/982147825.db2.gz AACMVNVAOXZHKK-UHFFFAOYSA-N 1 0 419.577 3.529 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460548534 982335044 /nfs/dbraw/zinc/33/50/44/982335044.db2.gz CVPVSIGYPSMIPN-OAQYLSRUSA-N 1 0 409.578 3.632 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000437984722 982506153 /nfs/dbraw/zinc/50/61/53/982506153.db2.gz HYXNCSBMNAQCBU-HKUYNNGSSA-N 1 0 424.383 3.504 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460780048 982532831 /nfs/dbraw/zinc/53/28/31/982532831.db2.gz BTODOKSIPMXOGG-YRPNKDGESA-N 1 0 401.599 3.836 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460780047 982533033 /nfs/dbraw/zinc/53/30/33/982533033.db2.gz BTODOKSIPMXOGG-MUGJNUQGSA-N 1 0 401.599 3.836 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460796286 982549122 /nfs/dbraw/zinc/54/91/22/982549122.db2.gz RKXSPIVQFFNYBT-JOCHJYFZSA-N 1 0 422.577 3.698 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460801733 982554762 /nfs/dbraw/zinc/55/47/62/982554762.db2.gz YJMWDNGYLCITRW-OALUTQOASA-N 1 0 413.566 3.751 20 30 HHEDRO CCOc1cccc2[nH]cc(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c21 ZINC000438056448 982557566 /nfs/dbraw/zinc/55/75/66/982557566.db2.gz MPFMLIZNSHWZRD-UHFFFAOYSA-N 1 0 404.514 3.571 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460805720 982558883 /nfs/dbraw/zinc/55/88/83/982558883.db2.gz NFTCSNWESUOETO-HAGHYFMRSA-N 1 0 403.615 3.939 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000460886038 982624368 /nfs/dbraw/zinc/62/43/68/982624368.db2.gz UPHAJBIATKZDJS-KXBFYZLASA-N 1 0 419.367 3.747 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000438163719 982625307 /nfs/dbraw/zinc/62/53/07/982625307.db2.gz VSHTZCGHQNSLQX-OAQYLSRUSA-N 1 0 410.562 3.908 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460928170 982666189 /nfs/dbraw/zinc/66/61/89/982666189.db2.gz AICNVEGBOFKALM-MSOLQXFVSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)C1CCCC1 ZINC000460940625 982678359 /nfs/dbraw/zinc/67/83/59/982678359.db2.gz YSCIMQQAYHWQCW-UHFFFAOYSA-N 1 0 408.594 3.598 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460951442 982684988 /nfs/dbraw/zinc/68/49/88/982684988.db2.gz KOJWTTKPUBYGJS-UHFFFAOYSA-N 1 0 408.594 3.932 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460953591 982686687 /nfs/dbraw/zinc/68/66/87/982686687.db2.gz VHXSUYWCPZFVKX-UHFFFAOYSA-N 1 0 401.530 3.883 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC)CC1 ZINC000460953137 982686826 /nfs/dbraw/zinc/68/68/26/982686826.db2.gz RIDVTILHDSGLNB-UHFFFAOYSA-N 1 0 408.319 3.565 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460953728 982687247 /nfs/dbraw/zinc/68/72/47/982687247.db2.gz UCVFBNNBZIXNDQ-JOCHJYFZSA-N 1 0 423.561 3.821 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460963792 982694273 /nfs/dbraw/zinc/69/42/73/982694273.db2.gz ZNKFMOBIUJYKHQ-RBBKRZOGSA-N 1 0 420.605 3.870 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)C(C)C ZINC000460993015 982713275 /nfs/dbraw/zinc/71/32/75/982713275.db2.gz YRUMJIITDVDZKZ-DHLKQENFSA-N 1 0 411.590 3.744 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000461114479 982805150 /nfs/dbraw/zinc/80/51/50/982805150.db2.gz RXTJOJHDNLFDIF-UHFFFAOYSA-N 1 0 404.864 3.713 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000438475873 982824731 /nfs/dbraw/zinc/82/47/31/982824731.db2.gz NNOYRGBRGMFYJI-UHFFFAOYSA-N 1 0 402.292 3.901 20 30 HHEDRO CC(C)C1CCC([NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)CC1 ZINC000438557438 982899531 /nfs/dbraw/zinc/89/95/31/982899531.db2.gz LDVNNGCIMANINE-UHFFFAOYSA-N 1 0 402.970 3.983 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000438640540 982959574 /nfs/dbraw/zinc/95/95/74/982959574.db2.gz HLGSFCYMPXGWTK-UHFFFAOYSA-N 1 0 406.408 3.839 20 30 HHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 ZINC000461301154 983001461 /nfs/dbraw/zinc/00/14/61/983001461.db2.gz ZLEYYVMIERSWKQ-PXNSSMCTSA-N 1 0 418.570 3.990 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836027 983105139 /nfs/dbraw/zinc/10/51/39/983105139.db2.gz DRHUHHSERAPGBY-RPWUZVMVSA-N 1 0 419.573 3.709 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)CC2)c1 ZINC000461453962 983119878 /nfs/dbraw/zinc/11/98/78/983119878.db2.gz ZHSCQTZZTXZVIF-NHCUHLMSSA-N 1 0 403.501 3.709 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)on2)c1 ZINC000461454942 983121269 /nfs/dbraw/zinc/12/12/69/983121269.db2.gz JAGURBSQIFGXLP-VXKWHMMOSA-N 1 0 412.493 3.807 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](OCc3ccncc3)C1)CCCC2 ZINC000439007672 983206408 /nfs/dbraw/zinc/20/64/08/983206408.db2.gz VBWCVDRLARTUPO-QGZVFWFLSA-N 1 0 410.543 3.513 20 30 HHEDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000439116366 983257396 /nfs/dbraw/zinc/25/73/96/983257396.db2.gz JYGVPNMFASXNAS-UHFFFAOYSA-N 1 0 400.866 3.632 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000439239176 983325403 /nfs/dbraw/zinc/32/54/03/983325403.db2.gz UBESOELXCGZNHE-GOSISDBHSA-N 1 0 417.962 3.744 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([C@H]4CCCO4)CC3)sc2C1 ZINC000439292818 983348883 /nfs/dbraw/zinc/34/88/83/983348883.db2.gz IWQSZHREUJCFES-HNAYVOBHSA-N 1 0 401.576 3.964 20 30 HHEDRO CCCc1c(NC(=O)NCC2CC[NH+](CCC)CC2)cnn1-c1cccc(C#N)c1 ZINC000439669428 983493397 /nfs/dbraw/zinc/49/33/97/983493397.db2.gz FLPMKLCVVNAFRV-UHFFFAOYSA-N 1 0 408.550 3.940 20 30 HHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000439769366 983531382 /nfs/dbraw/zinc/53/13/82/983531382.db2.gz VFLXEQGHZXLHQJ-LJQANCHMSA-N 1 0 406.530 3.844 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000440048986 983625132 /nfs/dbraw/zinc/62/51/32/983625132.db2.gz WDHSWJZWXHOBKC-DENIHFKCSA-N 1 0 421.541 3.701 20 30 HHEDRO CN(CC(=O)Nc1ccccc1SCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440450949 983761724 /nfs/dbraw/zinc/76/17/24/983761724.db2.gz JTFQURSHTROFCM-UHFFFAOYSA-N 1 0 408.571 3.837 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000440496115 983776503 /nfs/dbraw/zinc/77/65/03/983776503.db2.gz QVVXGGJKXPZEHF-UHFFFAOYSA-N 1 0 422.554 3.908 20 30 HHEDRO N#Cc1cnc2c(Br)cccc2c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000440635697 983831860 /nfs/dbraw/zinc/83/18/60/983831860.db2.gz IJNQLRMWPSDADM-AWEZNQCLSA-N 1 0 415.335 3.782 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@]2(CO)CCCc3ccccc32)c1C#N ZINC000440815901 983918704 /nfs/dbraw/zinc/91/87/04/983918704.db2.gz AWEFPNBEZHWAGF-RUZDIDTESA-N 1 0 420.557 3.844 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440819732 983921254 /nfs/dbraw/zinc/92/12/54/983921254.db2.gz WVYLOQQAFAKIEK-UZUQRXQVSA-N 1 0 409.555 3.691 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931940 983986336 /nfs/dbraw/zinc/98/63/36/983986336.db2.gz XSQQIQPYKNHLMG-IBGZPJMESA-N 1 0 416.481 3.527 20 30 HHEDRO C[N@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)NCC#N ZINC000440953290 983995380 /nfs/dbraw/zinc/99/53/80/983995380.db2.gz BWHBWJBQNKCKOV-LJQANCHMSA-N 1 0 405.420 3.787 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441314766 984176622 /nfs/dbraw/zinc/17/66/22/984176622.db2.gz XSXVDNLBQLBSMX-UHFFFAOYSA-N 1 0 403.958 3.933 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441401829 984232805 /nfs/dbraw/zinc/23/28/05/984232805.db2.gz GRRFRIIINIQKER-DBXWQHBBSA-N 1 0 412.603 3.968 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441412141 984238037 /nfs/dbraw/zinc/23/80/37/984238037.db2.gz IBOKSSSTBIUMAL-CRAIPNDOSA-N 1 0 424.467 3.532 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000442078179 984625561 /nfs/dbraw/zinc/62/55/61/984625561.db2.gz KTVWRBQPZOOSTL-UHFFFAOYSA-N 1 0 420.513 3.559 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C[C@H]1C ZINC000461675919 984692993 /nfs/dbraw/zinc/69/29/93/984692993.db2.gz ZYFYPYROJUTNSU-BVYCBKJFSA-N 1 0 422.577 3.695 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C[C@H]1C ZINC000461675920 984693127 /nfs/dbraw/zinc/69/31/27/984693127.db2.gz ZYFYPYROJUTNSU-COPCDDAFSA-N 1 0 422.577 3.695 20 30 HHEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3ccc(C#N)cc3F)c2)CC1 ZINC000442195650 984717384 /nfs/dbraw/zinc/71/73/84/984717384.db2.gz PNQYROISMIMVAA-UHFFFAOYSA-N 1 0 408.477 3.549 20 30 HHEDRO COc1cccc(C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000442291940 984794432 /nfs/dbraw/zinc/79/44/32/984794432.db2.gz NJXVMOZMWDHDLD-UHFFFAOYSA-N 1 0 408.546 3.618 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000461903487 984921436 /nfs/dbraw/zinc/92/14/36/984921436.db2.gz UOLUPSSCOTZVBN-OAQYLSRUSA-N 1 0 404.558 3.689 20 30 HHEDRO N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000461943938 984944403 /nfs/dbraw/zinc/94/44/03/984944403.db2.gz YXKBBFPMMUXYDF-YKSBVNFPSA-N 1 0 417.557 3.500 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462023976 985002169 /nfs/dbraw/zinc/00/21/69/985002169.db2.gz ACRQFUBUTXHJEZ-QZTJIDSGSA-N 1 0 408.521 3.820 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000442633990 985109527 /nfs/dbraw/zinc/10/95/27/985109527.db2.gz LODXQZQIZAWKJN-HXUWFJFHSA-N 1 0 421.541 3.703 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000442663362 985138347 /nfs/dbraw/zinc/13/83/47/985138347.db2.gz JVXQWUHRLAIPCS-SFHVURJKSA-N 1 0 424.932 3.521 20 30 HHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000442674444 985146807 /nfs/dbraw/zinc/14/68/07/985146807.db2.gz CGQKLYVQGNTNMT-HZPDHXFCSA-N 1 0 403.482 3.934 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190517 985172837 /nfs/dbraw/zinc/17/28/37/985172837.db2.gz LXHYKBOFEZWFQB-FDDCHVKYSA-N 1 0 412.493 3.996 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cc2ccccc2o1 ZINC000442884028 985259412 /nfs/dbraw/zinc/25/94/12/985259412.db2.gz JIKZIHSIBHSEQA-AEFFLSMTSA-N 1 0 408.527 3.554 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1C ZINC000443361233 985523429 /nfs/dbraw/zinc/52/34/29/985523429.db2.gz MJEFEHDHVRQDIQ-FXAWDEMLSA-N 1 0 420.513 3.620 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000462911025 985841800 /nfs/dbraw/zinc/84/18/00/985841800.db2.gz MLEPATNBNYPGNQ-SFHVURJKSA-N 1 0 404.493 3.614 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000463017161 985973729 /nfs/dbraw/zinc/97/37/29/985973729.db2.gz XGLUZIJLMOCAPJ-ZEQRLZLVSA-N 1 0 418.541 3.696 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017917 985975224 /nfs/dbraw/zinc/97/52/24/985975224.db2.gz YFUDWWKDUDBJPG-NTKDMRAZSA-N 1 0 418.541 3.632 20 30 HHEDRO Cc1cc(C[NH2+][C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)ccc1C#N ZINC000443999125 986197891 /nfs/dbraw/zinc/19/78/91/986197891.db2.gz BCHVQJXZMHXAJY-FGZHOGPDSA-N 1 0 419.525 3.640 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1)C(C)C ZINC000444097676 986296100 /nfs/dbraw/zinc/29/61/00/986296100.db2.gz CPRBOGTZMKMCCR-OAQYLSRUSA-N 1 0 403.548 3.627 20 30 HHEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(Br)cc1OCCCO ZINC000463361503 986327635 /nfs/dbraw/zinc/32/76/35/986327635.db2.gz MBEIYVRPVVPDFQ-OAHLLOKOSA-N 1 0 419.319 3.812 20 30 HHEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000463364240 986330269 /nfs/dbraw/zinc/33/02/69/986330269.db2.gz CTQGMLRGKHDICJ-HNNXBMFYSA-N 1 0 419.319 3.812 20 30 HHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)(C)C ZINC000463374121 986340598 /nfs/dbraw/zinc/34/05/98/986340598.db2.gz ZDEYVLNSPNICLS-KRWDZBQOSA-N 1 0 400.567 3.724 20 30 HHEDRO C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000468663034 986373122 /nfs/dbraw/zinc/37/31/22/986373122.db2.gz VFDVHPZZDLZDBM-PBXXJUDPSA-N 1 0 409.574 3.783 20 30 HHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000444196923 986374952 /nfs/dbraw/zinc/37/49/52/986374952.db2.gz NGXWMQWFCPLRQB-GOSISDBHSA-N 1 0 417.985 3.555 20 30 HHEDRO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000444214279 986397880 /nfs/dbraw/zinc/39/78/80/986397880.db2.gz QVNRRAKOKICURD-QFIPXVFZSA-N 1 0 412.484 3.934 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463440117 986418009 /nfs/dbraw/zinc/41/80/09/986418009.db2.gz MXYSGXRGIINRRD-LCTYFBFGSA-N 1 0 411.590 3.623 20 30 HHEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000444235291 986423568 /nfs/dbraw/zinc/42/35/68/986423568.db2.gz FMTRRDFFVGQGIK-NRFANRHFSA-N 1 0 401.514 3.944 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1 ZINC000468775534 986487737 /nfs/dbraw/zinc/48/77/37/986487737.db2.gz BHVQPXNMRAOGHP-QFIPXVFZSA-N 1 0 413.468 3.928 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000468784543 986496548 /nfs/dbraw/zinc/49/65/48/986496548.db2.gz BQMHBONIVZQDCA-BGYRXZFFSA-N 1 0 422.573 3.906 20 30 HHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000444390852 986566932 /nfs/dbraw/zinc/56/69/32/986566932.db2.gz XNVHCCPEYLVQHY-QGZVFWFLSA-N 1 0 409.555 3.627 20 30 HHEDRO CN(C(=O)Cc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1)c1ccccc1 ZINC000444393527 986570962 /nfs/dbraw/zinc/57/09/62/986570962.db2.gz FSEYUCQANRBUDD-UHFFFAOYSA-N 1 0 421.545 3.591 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000444398143 986577490 /nfs/dbraw/zinc/57/74/90/986577490.db2.gz SVKAPXUHCAROEH-UHFFFAOYSA-N 1 0 406.836 3.980 20 30 HHEDRO Cc1nc(SCC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c(C#N)c(C)c1C ZINC000444459016 986641895 /nfs/dbraw/zinc/64/18/95/986641895.db2.gz GTTSUXZSKZICCK-UHFFFAOYSA-N 1 0 424.570 3.566 20 30 HHEDRO CSc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000463690797 986673486 /nfs/dbraw/zinc/67/34/86/986673486.db2.gz NLIMKKPNROGNHF-UHFFFAOYSA-N 1 0 423.991 3.686 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)on2)c1 ZINC000469056293 986767827 /nfs/dbraw/zinc/76/78/27/986767827.db2.gz RUYOJVLIOYHQBW-UHFFFAOYSA-N 1 0 406.511 3.917 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000444648976 986832921 /nfs/dbraw/zinc/83/29/21/986832921.db2.gz ZJKNABQYFYXQBV-IBGZPJMESA-N 1 0 412.534 3.882 20 30 HHEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc(OC)c1O ZINC000469161459 986886463 /nfs/dbraw/zinc/88/64/63/986886463.db2.gz KJBCXXXXJZPTEH-HXUWFJFHSA-N 1 0 416.468 3.688 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000469176390 986901446 /nfs/dbraw/zinc/90/14/46/986901446.db2.gz LUKGPHGWVZWSFD-HSZRJFAPSA-N 1 0 404.558 3.726 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000469176680 986901630 /nfs/dbraw/zinc/90/16/30/986901630.db2.gz LUKGPHGWVZWSFD-QHCPKHFHSA-N 1 0 404.558 3.726 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469186176 986911109 /nfs/dbraw/zinc/91/11/09/986911109.db2.gz QBOJUZHCQMCCHS-UHFFFAOYSA-N 1 0 415.497 3.987 20 30 HHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000444759607 986921295 /nfs/dbraw/zinc/92/12/95/986921295.db2.gz HDMOEHVIKMURDZ-QHCPKHFHSA-N 1 0 412.534 3.574 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Br)c1F ZINC000469238843 986959308 /nfs/dbraw/zinc/95/93/08/986959308.db2.gz SBUBPKNHQMTDCL-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](O)COc1ccccc1 ZINC000444812407 986965662 /nfs/dbraw/zinc/96/56/62/986965662.db2.gz KZQDTSZSRUWICJ-LJQANCHMSA-N 1 0 415.921 3.691 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444815023 986968580 /nfs/dbraw/zinc/96/85/80/986968580.db2.gz DVGGFCPTKFASCO-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)CC1 ZINC000444998465 987128085 /nfs/dbraw/zinc/12/80/85/987128085.db2.gz QYHKLZJHGLHTJG-UHFFFAOYSA-N 1 0 424.467 3.690 20 30 HHEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)nc2)C1 ZINC000469703837 987360686 /nfs/dbraw/zinc/36/06/86/987360686.db2.gz VOFKMJNSKUESPE-LJQANCHMSA-N 1 0 416.529 3.733 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000469787984 987432713 /nfs/dbraw/zinc/43/27/13/987432713.db2.gz SHKJZRLFKJFPSK-ROUUACIJSA-N 1 0 401.514 3.854 20 30 HHEDRO CS[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@H]1[NH+]1CCCC1 ZINC000445600192 987669651 /nfs/dbraw/zinc/66/96/51/987669651.db2.gz IRJDXPALHUTGQF-QZTJIDSGSA-N 1 0 404.486 3.724 20 30 HHEDRO CCOC(=O)[C@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000470156571 988067869 /nfs/dbraw/zinc/06/78/69/988067869.db2.gz POMZFINDQBRUKX-XMMPIXPASA-N 1 0 402.498 3.569 20 30 HHEDRO N#CCCN(C(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000470221278 988150199 /nfs/dbraw/zinc/15/01/99/988150199.db2.gz XGUACHIPDGYCNU-QFIPXVFZSA-N 1 0 411.933 3.959 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1Cl ZINC000470369323 988332659 /nfs/dbraw/zinc/33/26/59/988332659.db2.gz LTZLHVXFLYBJEO-LJQANCHMSA-N 1 0 402.970 3.559 20 30 HHEDRO COc1ccc([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000470728672 988758329 /nfs/dbraw/zinc/75/83/29/988758329.db2.gz WZPBXWVYYXIRLV-UPVQGACJSA-N 1 0 416.525 3.593 20 30 HHEDRO CCN(CCC[NH+](C)C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000470851770 988931147 /nfs/dbraw/zinc/93/11/47/988931147.db2.gz PSXFFFFJNLJKNJ-UHFFFAOYSA-N 1 0 424.570 3.703 20 30 HHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470880209 988949973 /nfs/dbraw/zinc/94/99/73/988949973.db2.gz NYSFZYUTLNVYMH-OAQYLSRUSA-N 1 0 404.539 3.736 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464777487 989004308 /nfs/dbraw/zinc/00/43/08/989004308.db2.gz QBXSDLFAWSFAST-KRWDZBQOSA-N 1 0 402.608 3.881 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470967654 989031640 /nfs/dbraw/zinc/03/16/40/989031640.db2.gz OHXHEKWFUNWRRK-MJGOQNOKSA-N 1 0 400.592 3.541 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](C[N@H+](C)CC4CC4)C3)sc2C1 ZINC000470983506 989047983 /nfs/dbraw/zinc/04/79/83/989047983.db2.gz OBFFNNQPAMUGLZ-SJLPKXTDSA-N 1 0 414.619 3.737 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470991230 989055308 /nfs/dbraw/zinc/05/53/08/989055308.db2.gz CVGTWKIRQPLGAN-FCEUIQTBSA-N 1 0 420.532 3.525 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000464826887 989064328 /nfs/dbraw/zinc/06/43/28/989064328.db2.gz GDWPIMGQASKVEN-RPWUZVMVSA-N 1 0 420.532 3.636 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000471032717 989105574 /nfs/dbraw/zinc/10/55/74/989105574.db2.gz YOBPOWIOWOJEAI-QFIPXVFZSA-N 1 0 421.589 3.627 20 30 HHEDRO CC[NH+]1CCC(NC(=O)CN(Cc2cccc(C#N)c2)c2ccc(F)cc2C)CC1 ZINC000464875027 989136081 /nfs/dbraw/zinc/13/60/81/989136081.db2.gz KKVZAZGPGLADFB-UHFFFAOYSA-N 1 0 408.521 3.613 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000471111716 989214607 /nfs/dbraw/zinc/21/46/07/989214607.db2.gz CXZMYPHETWYWCD-XMMPIXPASA-N 1 0 412.537 3.755 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000464946693 989239121 /nfs/dbraw/zinc/23/91/21/989239121.db2.gz YTJFOWACXGNLIE-QHCPKHFHSA-N 1 0 421.589 3.717 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000464965757 989265715 /nfs/dbraw/zinc/26/57/15/989265715.db2.gz VMODMIGNKJTQFA-OAQYLSRUSA-N 1 0 420.557 3.579 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000464977362 989278434 /nfs/dbraw/zinc/27/84/34/989278434.db2.gz AIDLXLDWHKUXRC-QFIPXVFZSA-N 1 0 407.514 3.842 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464980010 989282666 /nfs/dbraw/zinc/28/26/66/989282666.db2.gz JFMYGAPWRIQMPU-QPPBQGQZSA-N 1 0 405.542 3.942 20 30 HHEDRO C=CCc1ccc(OCC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000464986415 989292036 /nfs/dbraw/zinc/29/20/36/989292036.db2.gz RXPZIGOOTVGYMP-QFIPXVFZSA-N 1 0 408.542 3.783 20 30 HHEDRO Cc1nc2sccn2c1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000465403387 989751142 /nfs/dbraw/zinc/75/11/42/989751142.db2.gz KTRGSCRAYLHQRW-UHFFFAOYSA-N 1 0 413.572 3.977 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000471601137 989803729 /nfs/dbraw/zinc/80/37/29/989803729.db2.gz HOZAVXUJKGUCOX-UHFFFAOYSA-N 1 0 406.574 3.722 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000465527237 989885582 /nfs/dbraw/zinc/88/55/82/989885582.db2.gz HSNMIVCSJZXGQZ-NRFANRHFSA-N 1 0 412.921 3.727 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000465534379 989896779 /nfs/dbraw/zinc/89/67/79/989896779.db2.gz QEEZNQCIRPSEHT-ZEQRLZLVSA-N 1 0 402.542 3.916 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000465672005 990057639 /nfs/dbraw/zinc/05/76/39/990057639.db2.gz ZDRFBCBFIJMTSW-PKTZIBPZSA-N 1 0 403.530 3.527 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCCC)cc2OC(F)F)CC1 ZINC000471970783 990135869 /nfs/dbraw/zinc/13/58/69/990135869.db2.gz PVGOUITYGWXTQQ-UHFFFAOYSA-N 1 0 411.493 3.917 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)CCCC2)CC1 ZINC000465902900 991030381 /nfs/dbraw/zinc/03/03/81/991030381.db2.gz JTRNRHJLVXDOKF-PKTZIBPZSA-N 1 0 424.589 3.891 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000466076100 991250096 /nfs/dbraw/zinc/25/00/96/991250096.db2.gz JCIIVFBSWMPNLD-XLIONFOSSA-N 1 0 412.559 3.869 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000466329010 991582954 /nfs/dbraw/zinc/58/29/54/991582954.db2.gz OCAKQPQSNFVSNM-PXDATVDWSA-N 1 0 419.525 3.824 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1OCCCC#N ZINC000466475585 991768146 /nfs/dbraw/zinc/76/81/46/991768146.db2.gz UNLZQPOADBTPHY-WIYYLYMNSA-N 1 0 407.514 3.657 20 30 HHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ncccc1OCCCC#N ZINC000466618541 991934395 /nfs/dbraw/zinc/93/43/95/991934395.db2.gz GJKUCEFBRLDODL-UHFFFAOYSA-N 1 0 408.506 3.539 20 30 HHEDRO N#Cc1cccc(CCNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000466815297 992124167 /nfs/dbraw/zinc/12/41/67/992124167.db2.gz KRNTUNOOFWTIIO-VWLOTQADSA-N 1 0 402.542 3.798 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cc2ccccc2o1 ZINC000467274860 992597090 /nfs/dbraw/zinc/59/70/90/992597090.db2.gz JIKZIHSIBHSEQA-FUHWJXTLSA-N 1 0 408.527 3.554 20 30 HHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467449717 992744543 /nfs/dbraw/zinc/74/45/43/992744543.db2.gz RFNKUPPHNRECMF-CQSZACIVSA-N 1 0 413.543 3.963 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)C(C)C ZINC000467518536 992795468 /nfs/dbraw/zinc/79/54/68/992795468.db2.gz MNIDZZPWGBURMU-QFBILLFUSA-N 1 0 424.511 3.724 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000467601112 992871657 /nfs/dbraw/zinc/87/16/57/992871657.db2.gz JYEQCXAGPKPSOM-YADHBBJMSA-N 1 0 410.562 3.980 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755811 993000298 /nfs/dbraw/zinc/00/02/98/993000298.db2.gz SRCLSCFNAGFJKN-FOIQADDNSA-N 1 0 408.571 3.750 20 30 HHEDRO Cc1ncc(C[N@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000472430418 993431599 /nfs/dbraw/zinc/43/15/99/993431599.db2.gz KVUBKAQJSBJKOF-UHFFFAOYSA-N 1 0 411.531 3.843 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000472503403 993501361 /nfs/dbraw/zinc/50/13/61/993501361.db2.gz RVQBVEVQJTWKJR-RTBURBONSA-N 1 0 421.589 3.619 20 30 HHEDRO N#CC(CC[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000472579663 993545030 /nfs/dbraw/zinc/54/50/30/993545030.db2.gz JQPDNRSYSRFPHF-DEOSSOPVSA-N 1 0 417.553 3.600 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000472843792 993778769 /nfs/dbraw/zinc/77/87/69/993778769.db2.gz AUYWZANOWLGHDC-UHFFFAOYSA-N 1 0 405.542 3.867 20 30 HHEDRO CC1(C)CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000481177499 994007505 /nfs/dbraw/zinc/00/75/05/994007505.db2.gz QLCKIHAHYUGWTQ-LAUBAEHRSA-N 1 0 412.578 3.914 20 30 HHEDRO C=C(C)[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481228706 994059958 /nfs/dbraw/zinc/05/99/58/994059958.db2.gz HJAMPRWBUZZYTO-IBGZPJMESA-N 1 0 402.445 3.564 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000473240263 994091199 /nfs/dbraw/zinc/09/11/99/994091199.db2.gz WNJAXBZMUVPNBF-KRWDZBQOSA-N 1 0 416.591 3.600 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000481381485 994213256 /nfs/dbraw/zinc/21/32/56/994213256.db2.gz NOOKHAUJTHSDRN-DEOSSOPVSA-N 1 0 419.529 3.894 20 30 HHEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000481546978 994378752 /nfs/dbraw/zinc/37/87/52/994378752.db2.gz UWCCSRUQJUMOCQ-QVKFZJNVSA-N 1 0 423.904 3.702 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000481547761 994379536 /nfs/dbraw/zinc/37/95/36/994379536.db2.gz XCTHNNHZRGFNQM-WIYYLYMNSA-N 1 0 400.567 3.903 20 30 HHEDRO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000473567532 994435414 /nfs/dbraw/zinc/43/54/14/994435414.db2.gz HICURJUNVSFSSS-DENIHFKCSA-N 1 0 414.981 3.703 20 30 HHEDRO C=C(C)[C@@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000481626069 994490502 /nfs/dbraw/zinc/49/05/02/994490502.db2.gz XHCCRAAYHIGHNM-HXUWFJFHSA-N 1 0 410.486 3.501 20 30 HHEDRO Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481668697 994528405 /nfs/dbraw/zinc/52/84/05/994528405.db2.gz UDQUJTDWDSKETB-LJQANCHMSA-N 1 0 406.530 3.803 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccco1 ZINC000481759972 994612003 /nfs/dbraw/zinc/61/20/03/994612003.db2.gz ISTCFNZICBJELG-IRXDYDNUSA-N 1 0 417.579 3.585 20 30 HHEDRO COc1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000473722768 994615949 /nfs/dbraw/zinc/61/59/49/994615949.db2.gz OEQXGCAKNJJPQR-UHFFFAOYSA-N 1 0 414.937 3.536 20 30 HHEDRO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C(N)=O)cc1 ZINC000473794414 994718932 /nfs/dbraw/zinc/71/89/32/994718932.db2.gz LAHUKUVGRWSMRA-APWZRJJASA-N 1 0 403.313 3.650 20 30 HHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000481883477 994748647 /nfs/dbraw/zinc/74/86/47/994748647.db2.gz JSFCRPKRPKOVLN-VQIMIIECSA-N 1 0 401.919 3.517 20 30 HHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000482022059 994936693 /nfs/dbraw/zinc/93/66/93/994936693.db2.gz OXRXMLZQHOXXNH-UHFFFAOYSA-N 1 0 406.530 3.875 20 30 HHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000482023666 994937421 /nfs/dbraw/zinc/93/74/21/994937421.db2.gz BFBVHVHJYHGITC-UHFFFAOYSA-N 1 0 421.541 3.710 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccc(Br)cn1)C(C)C ZINC000474056892 995045733 /nfs/dbraw/zinc/04/57/33/995045733.db2.gz LNFDKDFLUMBYAU-MAUKXSAKSA-N 1 0 409.372 3.903 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000482162702 995120003 /nfs/dbraw/zinc/12/00/03/995120003.db2.gz IFIKAYZFRHLAFJ-UHFFFAOYSA-N 1 0 407.514 3.507 20 30 HHEDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495368 995505490 /nfs/dbraw/zinc/50/54/90/995505490.db2.gz IJXOHDWYAJJCHI-FYYLOGMGSA-N 1 0 408.498 3.680 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000474865888 995762383 /nfs/dbraw/zinc/76/23/83/995762383.db2.gz AMRFBUXQEGXPCG-UHFFFAOYSA-N 1 0 421.541 3.756 20 30 HHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(Cl)cc3-n3cncn3)CC2)nc1 ZINC000474883736 995777185 /nfs/dbraw/zinc/77/71/85/995777185.db2.gz BAYCHYMOEFEAIT-UHFFFAOYSA-N 1 0 408.893 3.667 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000483016309 995921103 /nfs/dbraw/zinc/92/11/03/995921103.db2.gz PQZOAJOLFAXPBP-PXDATVDWSA-N 1 0 416.569 3.576 20 30 HHEDRO Cc1nn(C)c(N2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)c1C#N ZINC000475226333 996009590 /nfs/dbraw/zinc/00/95/90/996009590.db2.gz ZVIZSRYBDSHSKJ-UHFFFAOYSA-N 1 0 405.468 3.764 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2CCN(c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000475298092 996053478 /nfs/dbraw/zinc/05/34/78/996053478.db2.gz YOIKRSRLMQRHFY-UHFFFAOYSA-N 1 0 400.530 3.865 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483396066 996149629 /nfs/dbraw/zinc/14/96/29/996149629.db2.gz OQSPQKDYODCNCN-GMAHTHKFSA-N 1 0 421.566 3.789 20 30 HHEDRO Cc1cc(-c2noc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000483425594 996170636 /nfs/dbraw/zinc/17/06/36/996170636.db2.gz JHUUEPRFXHMFQV-UHFFFAOYSA-N 1 0 405.477 3.764 20 30 HHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1)c1cccc(Cl)c1 ZINC000475671577 996290763 /nfs/dbraw/zinc/29/07/63/996290763.db2.gz JOSXRNFAMDTHSN-QHCPKHFHSA-N 1 0 411.933 3.656 20 30 HHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000475805423 996382569 /nfs/dbraw/zinc/38/25/69/996382569.db2.gz PBCBSCRBOQKKOG-YQQQUEKLSA-N 1 0 415.946 3.686 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000483797615 996394703 /nfs/dbraw/zinc/39/47/03/996394703.db2.gz HTJCDSBBDPRNES-NRFANRHFSA-N 1 0 414.513 3.520 20 30 HHEDRO N#CC[C@@H](CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000475919338 996471581 /nfs/dbraw/zinc/47/15/81/996471581.db2.gz VXAAONIQAYZLDA-NRFANRHFSA-N 1 0 404.514 3.538 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1F ZINC000483954642 996489239 /nfs/dbraw/zinc/48/92/39/996489239.db2.gz XUFCIDLLFPKBHY-OAHLLOKOSA-N 1 0 417.282 3.706 20 30 HHEDRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000483984157 996505784 /nfs/dbraw/zinc/50/57/84/996505784.db2.gz SKKCAKKFGBABEA-FQEVSTJZSA-N 1 0 412.509 3.628 20 30 HHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cc2)cc1 ZINC000484070892 996553533 /nfs/dbraw/zinc/55/35/33/996553533.db2.gz HKPQXGJXIOOUKM-OAQYLSRUSA-N 1 0 419.525 3.729 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476280641 996728527 /nfs/dbraw/zinc/72/85/27/996728527.db2.gz HYPOWVSOMYCZDO-UHFFFAOYSA-N 1 0 410.606 3.756 20 30 HHEDRO N#CC1(CS(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCCC1 ZINC000476340527 996765479 /nfs/dbraw/zinc/76/54/79/996765479.db2.gz TUHXKMKLRSRKGF-QHCPKHFHSA-N 1 0 415.603 3.778 20 30 HHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)c2C1 ZINC000476340046 996765502 /nfs/dbraw/zinc/76/55/02/996765502.db2.gz ZYZXGUBWWITJAN-QHCPKHFHSA-N 1 0 416.525 3.660 20 30 HHEDRO N#CC1(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000476409609 996870234 /nfs/dbraw/zinc/87/02/34/996870234.db2.gz BUQRPKJLZYLLBP-VXKWHMMOSA-N 1 0 415.603 3.777 20 30 HHEDRO CC(C)([C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000484552367 996883937 /nfs/dbraw/zinc/88/39/37/996883937.db2.gz LXNAYNPBYLMDPF-JOCHJYFZSA-N 1 0 412.484 3.980 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000476492569 996977074 /nfs/dbraw/zinc/97/70/74/996977074.db2.gz STDRKWOZBJQSJB-UHFFFAOYSA-N 1 0 406.530 3.809 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1)CC(C)C ZINC000476500823 996988115 /nfs/dbraw/zinc/98/81/15/996988115.db2.gz QZUJCJFKAGCJTE-UHFFFAOYSA-N 1 0 411.999 3.980 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000484672409 997011315 /nfs/dbraw/zinc/01/13/15/997011315.db2.gz VYDJDRTYCVOEPI-UHFFFAOYSA-N 1 0 417.535 3.702 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CC1 ZINC000476549364 997042042 /nfs/dbraw/zinc/04/20/42/997042042.db2.gz OYVVUPDNHFLRSQ-UHFFFAOYSA-N 1 0 417.912 3.899 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CC3(c4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000485287740 997687117 /nfs/dbraw/zinc/68/71/17/997687117.db2.gz NGALXOGAPSOEGP-QFIPXVFZSA-N 1 0 407.489 3.531 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](Nc3ccc(CC[NH+]4CCSCC4)cc3)C2=O)cc1 ZINC000485314240 997724531 /nfs/dbraw/zinc/72/45/31/997724531.db2.gz FQLRQQHWQCFNLQ-HSZRJFAPSA-N 1 0 420.582 3.757 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)C2=O)cc1 ZINC000485344272 997764016 /nfs/dbraw/zinc/76/40/16/997764016.db2.gz ASKPJAGCBORXII-GPXOXTDOSA-N 1 0 414.553 3.650 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477138392 997795443 /nfs/dbraw/zinc/79/54/43/997795443.db2.gz WSSPIRLTAIHDSI-QHCPKHFHSA-N 1 0 424.520 3.520 20 30 HHEDRO C[C@@H]1C[C@@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000485412412 997844456 /nfs/dbraw/zinc/84/44/56/997844456.db2.gz ZLOAUQCODRVWBU-WNOPAQSVSA-N 1 0 402.542 3.696 20 30 HHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477286701 997969539 /nfs/dbraw/zinc/96/95/39/997969539.db2.gz UQRFNYUOGJELSR-SFHVURJKSA-N 1 0 411.468 3.840 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(OCCc4ccccc4)CC3)C2=O)cc1 ZINC000485541238 997996653 /nfs/dbraw/zinc/99/66/53/997996653.db2.gz HLIVJUUORPWBLR-XMMPIXPASA-N 1 0 403.526 3.777 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461261 998173963 /nfs/dbraw/zinc/17/39/63/998173963.db2.gz AWNHQUVGNQIPMM-PMACEKPBSA-N 1 0 411.498 3.729 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000477535616 998254000 /nfs/dbraw/zinc/25/40/00/998254000.db2.gz VZKXBUHUIRJWHM-UHFFFAOYSA-N 1 0 403.473 3.803 20 30 HHEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000485806345 998274285 /nfs/dbraw/zinc/27/42/85/998274285.db2.gz XDCVSIVVXFOWCN-ABAIWWIYSA-N 1 0 408.449 3.761 20 30 HHEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000485832556 998298152 /nfs/dbraw/zinc/29/81/52/998298152.db2.gz KIKSHBBWVODQIN-QGZVFWFLSA-N 1 0 402.947 3.924 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000485888233 998342536 /nfs/dbraw/zinc/34/25/36/998342536.db2.gz ILAWFXCVLRUUMA-UEVCKROQSA-N 1 0 423.601 3.927 20 30 HHEDRO COc1cccc(CN(CC[NH+](C)C)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000477715642 998438302 /nfs/dbraw/zinc/43/83/02/998438302.db2.gz SISZQTUOJAODLJ-UHFFFAOYSA-N 1 0 405.458 3.591 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000486233651 998665536 /nfs/dbraw/zinc/66/55/36/998665536.db2.gz PYFGKLMASJDFQA-SFHVURJKSA-N 1 0 400.592 3.970 20 30 HHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478051615 998737045 /nfs/dbraw/zinc/73/70/45/998737045.db2.gz CCIGALSEHMVBGC-UHFFFAOYSA-N 1 0 421.360 3.705 20 30 HHEDRO Cn1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000478226825 998833375 /nfs/dbraw/zinc/83/33/75/998833375.db2.gz JEGDJXKRQOZUPT-UHFFFAOYSA-N 1 0 400.511 3.810 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000478273030 998856892 /nfs/dbraw/zinc/85/68/92/998856892.db2.gz MIVONEUSJVEYII-ROUUACIJSA-N 1 0 424.570 3.656 20 30 HHEDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000486809969 998950230 /nfs/dbraw/zinc/95/02/30/998950230.db2.gz PKVAEHOYEKCNPQ-QGZVFWFLSA-N 1 0 400.548 3.774 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nnc1-c1ccco1 ZINC000486852960 998973542 /nfs/dbraw/zinc/97/35/42/998973542.db2.gz MHDBUEXPFOAUBB-UHFFFAOYSA-N 1 0 417.579 3.632 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487277017 999121757 /nfs/dbraw/zinc/12/17/57/999121757.db2.gz YUBZWVSUQACXNS-UCFCWBNQSA-N 1 0 405.542 3.988 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000478866049 999182971 /nfs/dbraw/zinc/18/29/71/999182971.db2.gz LBVWVIJUTZBZKC-UHFFFAOYSA-N 1 0 411.546 3.833 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000478954658 999220589 /nfs/dbraw/zinc/22/05/89/999220589.db2.gz HNNDEMJIGKKVFZ-MRXNPFEDSA-N 1 0 416.953 3.653 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000479155676 999300023 /nfs/dbraw/zinc/30/00/23/999300023.db2.gz BTMYTMVRRYSWMY-UHFFFAOYSA-N 1 0 410.562 3.766 20 30 HHEDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(F)cc1 ZINC000487930137 999319436 /nfs/dbraw/zinc/31/94/36/999319436.db2.gz BNXFYMOYWOQALJ-KRWDZBQOSA-N 1 0 405.271 3.884 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000479197906 999322439 /nfs/dbraw/zinc/32/24/39/999322439.db2.gz ZGNVSTZAXDYZRQ-FGZHOGPDSA-N 1 0 419.525 3.848 20 30 HHEDRO N#CC1(NC(=O)c2ccc(OC(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479222648 999332086 /nfs/dbraw/zinc/33/20/86/999332086.db2.gz UTGVNRGACPOCBB-UHFFFAOYSA-N 1 0 403.404 3.873 20 30 HHEDRO N#CC1(NC(=O)CCCOc2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000479256189 999350209 /nfs/dbraw/zinc/35/02/09/999350209.db2.gz ZARPJZDPHZHXNL-UHFFFAOYSA-N 1 0 413.468 3.798 20 30 HHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000488176220 999402875 /nfs/dbraw/zinc/40/28/75/999402875.db2.gz DWNDYDPPUJXUPU-UHFFFAOYSA-N 1 0 408.452 3.953 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)N(C)Cc3cccc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000488308235 999433370 /nfs/dbraw/zinc/43/33/70/999433370.db2.gz UKPVRJJUBKPQQN-DHIUTWEWSA-N 1 0 404.514 3.686 20 30 HHEDRO CC1(C)[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1OCc1ccccc1 ZINC000488465465 999495741 /nfs/dbraw/zinc/49/57/41/999495741.db2.gz SWCCMQNBTIPGEL-YTFSRNRJSA-N 1 0 403.526 3.633 20 30 HHEDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476583 999500019 /nfs/dbraw/zinc/50/00/19/999500019.db2.gz GYHLTYUMGQAJAA-RBUKOAKNSA-N 1 0 424.526 3.728 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)cc1 ZINC000488482393 999502629 /nfs/dbraw/zinc/50/26/29/999502629.db2.gz UZABKPXFWHJINT-PMACEKPBSA-N 1 0 415.415 3.835 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000479622406 999505523 /nfs/dbraw/zinc/50/55/23/999505523.db2.gz ULZGNKRBZJEYEP-QFIPXVFZSA-N 1 0 410.562 3.657 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N[C@H](C)C[NH+]2CCCCCC2)nnc1-c1ccco1 ZINC000479794428 999596542 /nfs/dbraw/zinc/59/65/42/999596542.db2.gz GHKUESRPYUQFJV-QGZVFWFLSA-N 1 0 417.579 3.587 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccccc3Br)CCC2)CC1 ZINC000488811624 999615904 /nfs/dbraw/zinc/61/59/04/999615904.db2.gz CFQMQPKDFLSMSY-UHFFFAOYSA-N 1 0 406.368 3.820 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000488896416 999639857 /nfs/dbraw/zinc/63/98/57/999639857.db2.gz JEKSTBCUTPMBSR-UHFFFAOYSA-N 1 0 406.368 3.866 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000488922249 999647963 /nfs/dbraw/zinc/64/79/63/999647963.db2.gz VOSIXBTVEOKQJM-HXUWFJFHSA-N 1 0 403.526 3.803 20 30 HHEDRO COc1cccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N2CCCC2)c1 ZINC000479965051 999666543 /nfs/dbraw/zinc/66/65/43/999666543.db2.gz NHMVOOTUEVZYJK-DEOSSOPVSA-N 1 0 415.541 3.894 20 30 HHEDRO Cc1csc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Br ZINC000489162668 999714444 /nfs/dbraw/zinc/71/44/44/999714444.db2.gz YSCHWPFPLVULQG-UHFFFAOYSA-N 1 0 406.349 3.895 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000489296431 999739571 /nfs/dbraw/zinc/73/95/71/999739571.db2.gz ZKZKEDCNRQSORC-JTSKRJEESA-N 1 0 411.546 3.923 20 30 HHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccccc1C ZINC000480416820 999793638 /nfs/dbraw/zinc/79/36/38/999793638.db2.gz MYNAEWJPQLMXGY-NRFANRHFSA-N 1 0 420.582 3.951 20 30 HHEDRO COc1cc(OC2CC2)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000480542145 999822256 /nfs/dbraw/zinc/82/22/56/999822256.db2.gz SEUARCCGILNLOI-UHFFFAOYSA-N 1 0 405.498 3.525 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000480599521 999837466 /nfs/dbraw/zinc/83/74/66/999837466.db2.gz ZLHBUBKYQDDOGF-UHFFFAOYSA-N 1 0 405.498 3.725 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000490008219 999876767 /nfs/dbraw/zinc/87/67/67/999876767.db2.gz VKPLHNHNXKRVFL-UHFFFAOYSA-N 1 0 408.424 3.986 20 30 HHEDRO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491036574 1000037822 /nfs/dbraw/zinc/03/78/22/1000037822.db2.gz MQOHFCXGSZSUGQ-QHCPKHFHSA-N 1 0 416.562 3.949 20 30 HHEDRO Cn1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491105163 1000045766 /nfs/dbraw/zinc/04/57/66/1000045766.db2.gz AUAUXAFGMMOXHS-UHFFFAOYSA-N 1 0 405.546 3.620 20 30 HHEDRO COC(=O)C1(c2ccccc2)CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491135181 1000048710 /nfs/dbraw/zinc/04/87/10/1000048710.db2.gz FXFIRVNDFSUMIG-UHFFFAOYSA-N 1 0 414.509 3.666 20 30 HHEDRO COc1ccccc1-c1ncc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cn1 ZINC000491224776 1000056592 /nfs/dbraw/zinc/05/65/92/1000056592.db2.gz SJBCKEOLJXUJCF-UHFFFAOYSA-N 1 0 415.497 3.899 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(C4CC4)cc3F)CC2)cc1 ZINC000491235244 1000057494 /nfs/dbraw/zinc/05/74/94/1000057494.db2.gz JQSAFJMZXUOBEM-UHFFFAOYSA-N 1 0 406.505 3.992 20 30 HHEDRO COc1ccccc1-c1ncc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cn1 ZINC000491360487 1000068316 /nfs/dbraw/zinc/06/83/16/1000068316.db2.gz NTZHVICOPOVEMT-UHFFFAOYSA-N 1 0 415.497 3.899 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2)cc1 ZINC000492054641 1000107134 /nfs/dbraw/zinc/10/71/34/1000107134.db2.gz POWZJMNCCLUNHJ-RPWUZVMVSA-N 1 0 418.541 3.800 20 30 HHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@@H]2C1 ZINC000492183097 1000114304 /nfs/dbraw/zinc/11/43/04/1000114304.db2.gz XZQWOULPRJSGHW-GHTZIAJQSA-N 1 0 408.477 3.834 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)c1 ZINC000494046069 1000281644 /nfs/dbraw/zinc/28/16/44/1000281644.db2.gz DJFJYKIGGMVSNB-XZOQPEGZSA-N 1 0 420.513 3.850 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000494076735 1000297412 /nfs/dbraw/zinc/29/74/12/1000297412.db2.gz DLUZMAGXGFTLCG-AYOQOUSVSA-N 1 0 402.564 3.580 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000494259767 1000395228 /nfs/dbraw/zinc/39/52/28/1000395228.db2.gz OFIHSCOHLBQPRJ-JWQCQUIFSA-N 1 0 419.569 3.606 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494465305 1000506071 /nfs/dbraw/zinc/50/60/71/1000506071.db2.gz AXBNPDNDLLEAMW-SZFUDVHCSA-N 1 0 417.431 3.859 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494470278 1000509665 /nfs/dbraw/zinc/50/96/65/1000509665.db2.gz KPTXEIYVEPETHC-BKOMCJNNSA-N 1 0 405.832 3.937 20 30 HHEDRO N#Cc1ccc(OCC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000494563091 1000556181 /nfs/dbraw/zinc/55/61/81/1000556181.db2.gz MSFFJVQSRXOAHJ-UHFFFAOYSA-N 1 0 400.404 3.990 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](OCC4CC4)C3)sc2C1 ZINC000494656197 1000591484 /nfs/dbraw/zinc/59/14/84/1000591484.db2.gz UKKZGWXWRZSCLY-DOTOQJQBSA-N 1 0 401.576 3.964 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](OCC4CC4)C3)sc2C1 ZINC000494656198 1000591539 /nfs/dbraw/zinc/59/15/39/1000591539.db2.gz UKKZGWXWRZSCLY-NVXWUHKLSA-N 1 0 401.576 3.964 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H](OCC3CC3)C2)c1C#N ZINC000494702886 1000612305 /nfs/dbraw/zinc/61/23/05/1000612305.db2.gz MAPRPOGZJOHZBJ-FQEVSTJZSA-N 1 0 424.545 3.838 20 30 HHEDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494812981 1000672263 /nfs/dbraw/zinc/67/22/63/1000672263.db2.gz ZUURTDWPOHXZJS-MOPGFXCFSA-N 1 0 412.578 3.867 20 30 HHEDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495082241 1000819567 /nfs/dbraw/zinc/81/95/67/1000819567.db2.gz WUODOPOWRWMIMU-OAHLLOKOSA-N 1 0 417.575 3.881 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1C#N ZINC000495214366 1000917627 /nfs/dbraw/zinc/91/76/27/1000917627.db2.gz VHQBICJVNSGIDG-WAIKUNEKSA-N 1 0 400.567 3.903 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1)C(C)C ZINC000505658012 1000959407 /nfs/dbraw/zinc/95/94/07/1000959407.db2.gz OHDYDCVDYKOPIQ-QHCPKHFHSA-N 1 0 418.541 3.714 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505672430 1000967841 /nfs/dbraw/zinc/96/78/41/1000967841.db2.gz JFDHBWOLVDOSFJ-SIKLNZKXSA-N 1 0 405.542 3.771 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000505731068 1000997403 /nfs/dbraw/zinc/99/74/03/1000997403.db2.gz HBCVIYUNQCZXQE-XZOQPEGZSA-N 1 0 417.509 3.621 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 ZINC000505747313 1001004632 /nfs/dbraw/zinc/00/46/32/1001004632.db2.gz IUYDJVNCDGXVEE-DEOSSOPVSA-N 1 0 413.562 3.796 20 30 HHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)nn1-c1cccc(C#N)c1 ZINC000505783145 1001021307 /nfs/dbraw/zinc/02/13/07/1001021307.db2.gz QKHUHTCTHUROGW-UHFFFAOYSA-N 1 0 417.488 3.586 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)C(C)C ZINC000496011990 1001110745 /nfs/dbraw/zinc/11/07/45/1001110745.db2.gz AAKPBQSQJHBELX-GOTSBHOMSA-N 1 0 411.590 3.662 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000506270916 1001320482 /nfs/dbraw/zinc/32/04/82/1001320482.db2.gz WHVGCFSXAMXCLY-UHFFFAOYSA-N 1 0 413.525 3.858 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000497494624 1001400572 /nfs/dbraw/zinc/40/05/72/1001400572.db2.gz KHQAKGGLACRBNR-UHFFFAOYSA-N 1 0 407.352 3.959 20 30 HHEDRO CCOC[C@@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000506490491 1001437164 /nfs/dbraw/zinc/43/71/64/1001437164.db2.gz XZQHADHMAKZPJI-LJQANCHMSA-N 1 0 420.557 3.915 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000506532338 1001453232 /nfs/dbraw/zinc/45/32/32/1001453232.db2.gz PTDFKPBBADJPQH-OALUTQOASA-N 1 0 414.569 3.788 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000498221937 1001705687 /nfs/dbraw/zinc/70/56/87/1001705687.db2.gz NNSCDWIGDQVBQK-DYESRHJHSA-N 1 0 409.555 3.673 20 30 HHEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccc(F)cc1 ZINC000507000587 1001757533 /nfs/dbraw/zinc/75/75/33/1001757533.db2.gz DYQRHYDHEPMJEZ-LJQANCHMSA-N 1 0 400.404 3.984 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(-c2cccc3cccnc32)c1C)C(C)C ZINC000498354779 1001791823 /nfs/dbraw/zinc/79/18/23/1001791823.db2.gz NSOCLGOKODTLRC-OAQYLSRUSA-N 1 0 418.545 3.552 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C ZINC000498370453 1001802001 /nfs/dbraw/zinc/80/20/01/1001802001.db2.gz BEKCDSBSKVLVNO-XMMPIXPASA-N 1 0 417.553 3.970 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C(C)C ZINC000498379254 1001809168 /nfs/dbraw/zinc/80/91/68/1001809168.db2.gz XWLDRTCVYMKBSP-MJGOQNOKSA-N 1 0 421.994 3.958 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(Br)c1 ZINC000498380082 1001809919 /nfs/dbraw/zinc/80/99/19/1001809919.db2.gz AHLCSHYFYPCFCZ-UHFFFAOYSA-N 1 0 414.347 3.844 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000498382064 1001811970 /nfs/dbraw/zinc/81/19/70/1001811970.db2.gz JMQKPZIVTZVWOI-UHFFFAOYSA-N 1 0 401.457 3.683 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507179136 1001866057 /nfs/dbraw/zinc/86/60/57/1001866057.db2.gz JSWTYOWLHKCWLO-FQEVSTJZSA-N 1 0 408.546 3.750 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000507210862 1001898935 /nfs/dbraw/zinc/89/89/35/1001898935.db2.gz LBIOCWMNICFSHV-FQEVSTJZSA-N 1 0 413.468 3.698 20 30 HHEDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507269974 1001953606 /nfs/dbraw/zinc/95/36/06/1001953606.db2.gz LXLLYFSZAWNXHZ-JOCHJYFZSA-N 1 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COc1ccc(C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000499047526 1002428555 /nfs/dbraw/zinc/42/85/55/1002428555.db2.gz HIAQZQWFJUOXPF-VWNXMTODSA-N 1 0 409.530 3.632 20 30 HHEDRO CC(C)Oc1ccc(-c2nc(C(=O)N(CCC#N)CCC[NH+](C)C)cs2)cc1 ZINC000499352463 1002751482 /nfs/dbraw/zinc/75/14/82/1002751482.db2.gz QTDNTQDGBLIWIB-UHFFFAOYSA-N 1 0 400.548 3.905 20 30 HHEDRO C=CCc1ccc(OCC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000499527826 1002915437 /nfs/dbraw/zinc/91/54/37/1002915437.db2.gz IBVMRTICCFKOEQ-UHFFFAOYSA-N 1 0 408.542 3.926 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508495871 1002978436 /nfs/dbraw/zinc/97/84/36/1002978436.db2.gz BBJCXJHFGYGPHO-GOSISDBHSA-N 1 0 401.942 3.761 20 30 HHEDRO N#CC1(CCC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCOCC1 ZINC000499621089 1002990279 /nfs/dbraw/zinc/99/02/79/1002990279.db2.gz VMVWLDRLLIQWNE-IBGZPJMESA-N 1 0 413.566 3.818 20 30 HHEDRO CC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508603635 1003058922 /nfs/dbraw/zinc/05/89/22/1003058922.db2.gz JTPBVQMTSQCVCO-AWEZNQCLSA-N 1 0 401.894 3.667 20 30 HHEDRO CC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508603636 1003059101 /nfs/dbraw/zinc/05/91/01/1003059101.db2.gz JTPBVQMTSQCVCO-CQSZACIVSA-N 1 0 401.894 3.667 20 30 HHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508690516 1003127894 /nfs/dbraw/zinc/12/78/94/1003127894.db2.gz XCIVCIIUUWOUJY-OAQYLSRUSA-N 1 0 409.578 3.972 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508729049 1003168538 /nfs/dbraw/zinc/16/85/38/1003168538.db2.gz CUDFNPHFLDYLKT-GOSISDBHSA-N 1 0 413.566 3.970 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000499840839 1003177446 /nfs/dbraw/zinc/17/74/46/1003177446.db2.gz RUZKGMSPRDKKOD-UHFFFAOYSA-N 1 0 419.481 3.601 20 30 HHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508818741 1003243484 /nfs/dbraw/zinc/24/34/84/1003243484.db2.gz UXMHSSOGHMBWKS-NRFANRHFSA-N 1 0 421.570 3.567 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508828056 1003250475 /nfs/dbraw/zinc/25/04/75/1003250475.db2.gz OEEZWXJXJWKMJC-UHFFFAOYSA-N 1 0 401.942 3.858 20 30 HHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508850040 1003270988 /nfs/dbraw/zinc/27/09/88/1003270988.db2.gz TVJMMPMWOBRDMO-FPOVZHCZSA-N 1 0 407.562 3.517 20 30 HHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000508871738 1003292583 /nfs/dbraw/zinc/29/25/83/1003292583.db2.gz GFDXKNKYMVCBQJ-UHFFFAOYSA-N 1 0 423.483 3.531 20 30 HHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508897991 1003329126 /nfs/dbraw/zinc/32/91/26/1003329126.db2.gz ZZNLOJCQKSHXKQ-LJQANCHMSA-N 1 0 424.549 3.988 20 30 HHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508905988 1003343656 /nfs/dbraw/zinc/34/36/56/1003343656.db2.gz CCQAFQDBCHFIDM-UHFFFAOYSA-N 1 0 413.541 3.660 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508909009 1003350117 /nfs/dbraw/zinc/35/01/17/1003350117.db2.gz XHTSQEPRRBNGNU-MSOLQXFVSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508922561 1003361678 /nfs/dbraw/zinc/36/16/78/1003361678.db2.gz QWONJJMKAHOPCC-UHFFFAOYSA-N 1 0 419.371 3.676 20 30 HHEDRO C=CCn1c(N2CCC(C[NH+]3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000508929444 1003374433 /nfs/dbraw/zinc/37/44/33/1003374433.db2.gz HSDFLIVCHWTNDC-UHFFFAOYSA-N 1 0 417.504 3.905 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508932296 1003379182 /nfs/dbraw/zinc/37/91/82/1003379182.db2.gz SSUNPGJFWODGSR-UHFFFAOYSA-N 1 0 421.520 3.813 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508940674 1003390826 /nfs/dbraw/zinc/39/08/26/1003390826.db2.gz ZEEJEHUJZOQYLN-LJQANCHMSA-N 1 0 410.566 3.501 20 30 HHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508949971 1003404861 /nfs/dbraw/zinc/40/48/61/1003404861.db2.gz JPEARZNKLFEZBK-ROUUACIJSA-N 1 0 413.566 3.667 20 30 HHEDRO C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508956393 1003415087 /nfs/dbraw/zinc/41/50/87/1003415087.db2.gz PKTYVWWMURMEPB-FQEVSTJZSA-N 1 0 408.594 3.585 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000509009933 1003480842 /nfs/dbraw/zinc/48/08/42/1003480842.db2.gz CKJBEHGWLJIIRT-QHCPKHFHSA-N 1 0 423.605 3.945 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000500121973 1003484263 /nfs/dbraw/zinc/48/42/63/1003484263.db2.gz MXDYXDGDIBREJZ-UHFFFAOYSA-N 1 0 421.570 3.936 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000509081835 1003539559 /nfs/dbraw/zinc/53/95/59/1003539559.db2.gz UVQSWSZOXIGKFM-PXDATVDWSA-N 1 0 406.526 3.857 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500205689 1003549279 /nfs/dbraw/zinc/54/92/79/1003549279.db2.gz CPNQBHJPINBRAF-UHFFFAOYSA-N 1 0 424.932 3.777 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000500596241 1003809544 /nfs/dbraw/zinc/80/95/44/1003809544.db2.gz DHKVRAZQDDLSIN-UHFFFAOYSA-N 1 0 424.508 3.911 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1 ZINC000509415720 1003845197 /nfs/dbraw/zinc/84/51/97/1003845197.db2.gz GGSHCOCYBAJQFO-JOCHJYFZSA-N 1 0 422.529 3.931 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000500630374 1003845650 /nfs/dbraw/zinc/84/56/50/1003845650.db2.gz KFOVMMNMUBNHLX-UHFFFAOYSA-N 1 0 406.574 3.722 20 30 HHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511886516 1003863276 /nfs/dbraw/zinc/86/32/76/1003863276.db2.gz DPOZQKYBUHHIOM-YTFSRNRJSA-N 1 0 411.509 3.951 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 ZINC000512141942 1004053142 /nfs/dbraw/zinc/05/31/42/1004053142.db2.gz 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422.573 3.979 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000501424782 1004412581 /nfs/dbraw/zinc/41/25/81/1004412581.db2.gz JVBAHXRJWFAYIX-WOJBJXKFSA-N 1 0 420.347 3.583 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)c(OC)c1 ZINC000512631977 1004444422 /nfs/dbraw/zinc/44/44/22/1004444422.db2.gz VLGMBZJDSUYPEQ-HNNXBMFYSA-N 1 0 411.477 3.670 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000501590546 1004538075 /nfs/dbraw/zinc/53/80/75/1004538075.db2.gz GEBMYSPECRIHMF-VQTJNVASSA-N 1 0 418.541 3.788 20 30 HHEDRO C=CC[C@@H]1N(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCC1(C)C ZINC000512755717 1004539486 /nfs/dbraw/zinc/53/94/86/1004539486.db2.gz LCVBYKJQTHGPLJ-IHPCNDPISA-N 1 0 417.619 3.841 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510405345 1004542416 /nfs/dbraw/zinc/54/24/16/1004542416.db2.gz BZJHUANQXLCYGN-LAUBAEHRSA-N 1 0 405.477 3.758 20 30 HHEDRO CCOC1CC2(C1)CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C2 ZINC000512798143 1004564826 /nfs/dbraw/zinc/56/48/26/1004564826.db2.gz TWBHJWQGSACTDH-UHFFFAOYSA-N 1 0 406.530 3.795 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510444760 1004571184 /nfs/dbraw/zinc/57/11/84/1004571184.db2.gz OVHVGSCGHHLXGV-AZUAARDMSA-N 1 0 417.513 3.627 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)N3CCc4ccccc4C3)CC2)c(F)c1 ZINC000512846393 1004607650 /nfs/dbraw/zinc/60/76/50/1004607650.db2.gz ZVOGAKQTGKHFPS-UHFFFAOYSA-N 1 0 407.489 3.516 20 30 HHEDRO N#Cc1ncn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000512899275 1004667989 /nfs/dbraw/zinc/66/79/89/1004667989.db2.gz QITSNXGNDWAQRA-UHFFFAOYSA-N 1 0 409.453 3.538 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1C#N ZINC000501747459 1004675977 /nfs/dbraw/zinc/67/59/77/1004675977.db2.gz ZZUVLNWEPGWYAB-LJQANCHMSA-N 1 0 415.497 3.922 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000510569076 1004713378 /nfs/dbraw/zinc/71/33/78/1004713378.db2.gz IGDRYCSCWYPYRH-QHCPKHFHSA-N 1 0 422.529 3.712 20 30 HHEDRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1Cl ZINC000512998025 1004751273 /nfs/dbraw/zinc/75/12/73/1004751273.db2.gz SDPQCKAKEAJJQT-UHFFFAOYSA-N 1 0 401.869 3.961 20 30 HHEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000513119355 1004816965 /nfs/dbraw/zinc/81/69/65/1004816965.db2.gz XTQOEGDFNGYWKS-UHFFFAOYSA-N 1 0 412.513 3.859 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Br)s1 ZINC000510726138 1004818654 /nfs/dbraw/zinc/81/86/54/1004818654.db2.gz TZZNEXZWKMWNLR-UHFFFAOYSA-N 1 0 406.349 3.515 20 30 HHEDRO CN(C(=O)C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C1(C#N)CCCCC1 ZINC000513187641 1004851740 /nfs/dbraw/zinc/85/17/40/1004851740.db2.gz FAWGYXYZTKLNKG-FQEVSTJZSA-N 1 0 423.479 3.681 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000513197224 1004856055 /nfs/dbraw/zinc/85/60/55/1004856055.db2.gz UYJHZDJOFDURRQ-GOSISDBHSA-N 1 0 411.546 3.938 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)cc1 ZINC000513328444 1004913991 /nfs/dbraw/zinc/91/39/91/1004913991.db2.gz YGTMRRHYXFLQJW-XMMPIXPASA-N 1 0 420.557 3.560 20 30 HHEDRO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502165929 1004934057 /nfs/dbraw/zinc/93/40/57/1004934057.db2.gz KFJXGOPJBZBQQU-SFHVURJKSA-N 1 0 416.525 3.577 20 30 HHEDRO N#Cc1cccc(OCC[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)c1 ZINC000510945081 1004947533 /nfs/dbraw/zinc/94/75/33/1004947533.db2.gz HUVDRSOKWUKAMA-UHFFFAOYSA-N 1 0 415.291 3.691 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000502226762 1004967188 /nfs/dbraw/zinc/96/71/88/1004967188.db2.gz OOEGMYMOORWAIX-IBGZPJMESA-N 1 0 420.513 3.927 20 30 HHEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000502229688 1004968472 /nfs/dbraw/zinc/96/84/72/1004968472.db2.gz IMVCAOZLWFQBOV-UHFFFAOYSA-N 1 0 412.437 3.809 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000513442806 1004968558 /nfs/dbraw/zinc/96/85/58/1004968558.db2.gz KDRVNZMMHSHTDP-PJJFEIACSA-N 1 0 406.954 3.717 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(Cc2ccccc2)n1 ZINC000513470685 1004980554 /nfs/dbraw/zinc/98/05/54/1004980554.db2.gz HBWRHSORLONPJO-UHFFFAOYSA-N 1 0 404.539 3.810 20 30 HHEDRO Cc1oc(NC(=O)C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)c(C#N)c1C ZINC000502269986 1004986599 /nfs/dbraw/zinc/98/65/99/1004986599.db2.gz JQVZFIHLWUSXRM-UHFFFAOYSA-N 1 0 410.396 3.568 20 30 HHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 ZINC000511148608 1005045640 /nfs/dbraw/zinc/04/56/40/1005045640.db2.gz YSIFLMLZJQZLBP-JOCHJYFZSA-N 1 0 409.505 3.555 20 30 HHEDRO COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000502414076 1005065835 /nfs/dbraw/zinc/06/58/35/1005065835.db2.gz IUYZNXIZKYKFFI-UWJYYQICSA-N 1 0 407.514 3.600 20 30 HHEDRO CCc1noc(-c2ccc(CC[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2)n1 ZINC000513654755 1005068250 /nfs/dbraw/zinc/06/82/50/1005068250.db2.gz JPSFKPFZWIUOMP-UHFFFAOYSA-N 1 0 401.514 3.972 20 30 HHEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccco1 ZINC000513697413 1005086634 /nfs/dbraw/zinc/08/66/34/1005086634.db2.gz NIUDAACYBMOKJS-ICSRJNTNSA-N 1 0 404.532 3.534 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000511257336 1005095182 /nfs/dbraw/zinc/09/51/82/1005095182.db2.gz DCZIGFJJZPDFBJ-FQEVSTJZSA-N 1 0 403.592 3.681 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000513724893 1005097149 /nfs/dbraw/zinc/09/71/49/1005097149.db2.gz KAZRGHMHFREUCR-UZUQRXQVSA-N 1 0 413.541 3.534 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000502623189 1005146113 /nfs/dbraw/zinc/14/61/13/1005146113.db2.gz YZXQBNBPRJXZCQ-UHFFFAOYSA-N 1 0 406.530 3.731 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000511471725 1005190718 /nfs/dbraw/zinc/19/07/18/1005190718.db2.gz CHQYZTPLGJWZKW-UHFFFAOYSA-N 1 0 416.569 3.891 20 30 HHEDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nn1-c1cccc(C#N)c1 ZINC000502814254 1005228494 /nfs/dbraw/zinc/22/84/94/1005228494.db2.gz QYVXGIBJUQHPQE-UHFFFAOYSA-N 1 0 413.525 3.619 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000511590675 1005236717 /nfs/dbraw/zinc/23/67/17/1005236717.db2.gz FZIZUNSCANTVCX-UHFFFAOYSA-N 1 0 404.558 3.747 20 30 HHEDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)Nc4c(C#N)c(C)c(C)n4C4CCCCC4)[C@H]1[C@H]3C2 ZINC000511640529 1005256573 /nfs/dbraw/zinc/25/65/73/1005256573.db2.gz NKEZIRZJQUTPPW-IEFKJCAQSA-N 1 0 410.562 3.776 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511732023 1005297088 /nfs/dbraw/zinc/29/70/88/1005297088.db2.gz VJRANNWTHNANOU-QFIPXVFZSA-N 1 0 420.557 3.625 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000511745772 1005304266 /nfs/dbraw/zinc/30/42/66/1005304266.db2.gz OKOPMLWUIXJPLN-APWZRJJASA-N 1 0 424.932 3.567 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000511745775 1005304580 /nfs/dbraw/zinc/30/45/80/1005304580.db2.gz OKOPMLWUIXJPLN-VQIMIIECSA-N 1 0 424.932 3.567 20 30 HHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000503057290 1005330701 /nfs/dbraw/zinc/33/07/01/1005330701.db2.gz HMNVRHMWSUCWHY-XMMPIXPASA-N 1 0 413.562 3.940 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@H]31)CCC2 ZINC000511796082 1005332737 /nfs/dbraw/zinc/33/27/37/1005332737.db2.gz KREHOLGIRXKLFS-NJDAHSKKSA-N 1 0 421.566 3.942 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCCC3CC[NH+](C)CC3)c2)c1 ZINC000503261966 1005379659 /nfs/dbraw/zinc/37/96/59/1005379659.db2.gz FLWHXVGWERFXLY-UHFFFAOYSA-N 1 0 419.525 3.726 20 30 HHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000503281461 1005383060 /nfs/dbraw/zinc/38/30/60/1005383060.db2.gz FFNZDXUJLODXKW-GOSISDBHSA-N 1 0 405.502 3.664 20 30 HHEDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000503354998 1005396575 /nfs/dbraw/zinc/39/65/75/1005396575.db2.gz HEYGRODZPTZSGP-MBSDFSHPSA-N 1 0 413.525 3.693 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503400651 1005408782 /nfs/dbraw/zinc/40/87/82/1005408782.db2.gz YOOCKKIUMZUZAR-HYBUGGRVSA-N 1 0 413.562 3.619 20 30 HHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503432439 1005418784 /nfs/dbraw/zinc/41/87/84/1005418784.db2.gz JSFCRPKRPKOVLN-QFBILLFUSA-N 1 0 401.919 3.517 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000503490252 1005435650 /nfs/dbraw/zinc/43/56/50/1005435650.db2.gz DDNSUCLYIIESSH-GHTZIAJQSA-N 1 0 407.514 3.544 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000503688178 1005480931 /nfs/dbraw/zinc/48/09/31/1005480931.db2.gz GPUSIHYQNHDLFU-HXUWFJFHSA-N 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N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 ZINC000534333450 1006304627 /nfs/dbraw/zinc/30/46/27/1006304627.db2.gz CHHZNQFFSJCFJC-RUZDIDTESA-N 1 0 405.542 3.824 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)cc1 ZINC000534333451 1006305096 /nfs/dbraw/zinc/30/50/96/1006305096.db2.gz CHHZNQFFSJCFJC-VWLOTQADSA-N 1 0 405.542 3.824 20 30 HHEDRO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000531643327 1006323603 /nfs/dbraw/zinc/32/36/03/1006323603.db2.gz FMZAUHHRRLUMPQ-SFHVURJKSA-N 1 0 409.530 3.972 20 30 HHEDRO C=C(C)[C@H](CC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)OCC ZINC000534388231 1006361754 /nfs/dbraw/zinc/36/17/54/1006361754.db2.gz GHIYIQUETJVYRX-DEOSSOPVSA-N 1 0 422.573 3.756 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)c1cccs1 ZINC000515264436 1006369699 /nfs/dbraw/zinc/36/96/99/1006369699.db2.gz WSTNCEVCQBCTJB-NRFANRHFSA-N 1 0 417.534 3.506 20 30 HHEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000531715618 1006374935 /nfs/dbraw/zinc/37/49/35/1006374935.db2.gz SKLNHESNOBVBTH-VQIMIIECSA-N 1 0 410.493 3.682 20 30 HHEDRO COC(=O)c1cc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2o1 ZINC000515411864 1006449310 /nfs/dbraw/zinc/44/93/10/1006449310.db2.gz FVTAHTZGIVMHJR-UHFFFAOYSA-N 1 0 420.469 3.687 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(CCc4ccccc4)CC3)C2)c(F)c1 ZINC000531970848 1006552789 /nfs/dbraw/zinc/55/27/89/1006552789.db2.gz VYQUIYAZAVZNTP-QHCPKHFHSA-N 1 0 406.549 3.963 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ncc(C)cn2)cc1OCC ZINC000534646919 1006625649 /nfs/dbraw/zinc/62/56/49/1006625649.db2.gz KAKRHHPIMHKOCD-UHFFFAOYSA-N 1 0 406.324 3.843 20 30 HHEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000538390553 1006660763 /nfs/dbraw/zinc/66/07/63/1006660763.db2.gz BTRPGIYMQBZXMR-GAJHUEQPSA-N 1 0 405.498 3.834 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538391494 1006661671 /nfs/dbraw/zinc/66/16/71/1006661671.db2.gz GGIHVWXUBJFYEM-DNQXCXABSA-N 1 0 420.532 3.832 20 30 HHEDRO CN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000538408586 1006675636 /nfs/dbraw/zinc/67/56/36/1006675636.db2.gz XXZTYUWTNIOBFW-BJKOFHAPSA-N 1 0 410.512 3.836 20 30 HHEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)CC1 ZINC000532351348 1006812873 /nfs/dbraw/zinc/81/28/73/1006812873.db2.gz MFWMBUKHUDUBCM-RBUKOAKNSA-N 1 0 415.607 3.713 20 30 HHEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532467346 1006905585 /nfs/dbraw/zinc/90/55/85/1006905585.db2.gz MMESCLDZNPRMHS-HNNXBMFYSA-N 1 0 420.542 3.711 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC(CC[NH+](C)C)CC2)c1C#N ZINC000532486518 1006926601 /nfs/dbraw/zinc/92/66/01/1006926601.db2.gz XFLSNVZOMSZOJR-UHFFFAOYSA-N 1 0 421.589 3.627 20 30 HHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)c1 ZINC000538662780 1006938341 /nfs/dbraw/zinc/93/83/41/1006938341.db2.gz QBGFTCRDQKQZEL-IBGZPJMESA-N 1 0 411.469 3.773 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000538664993 1006946699 /nfs/dbraw/zinc/94/66/99/1006946699.db2.gz CVKKZIDMRUGNAD-LJQANCHMSA-N 1 0 406.534 3.932 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538665265 1006948711 /nfs/dbraw/zinc/94/87/11/1006948711.db2.gz OPBBEMBEDILJEL-IBGZPJMESA-N 1 0 400.486 3.552 20 30 HHEDRO C[NH+](C)C1(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCOCC1 ZINC000534915695 1006950743 /nfs/dbraw/zinc/95/07/43/1006950743.db2.gz UDCPQWHYTJYOSI-UHFFFAOYSA-N 1 0 413.905 3.845 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000538676283 1006960663 /nfs/dbraw/zinc/96/06/63/1006960663.db2.gz GQAAVIZVCBFMIT-UHFFFAOYSA-N 1 0 405.498 3.535 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534956278 1007000105 /nfs/dbraw/zinc/00/01/05/1007000105.db2.gz GMGDNICHWQAFQG-HXUWFJFHSA-N 1 0 403.526 3.840 20 30 HHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534966628 1007019921 /nfs/dbraw/zinc/01/99/21/1007019921.db2.gz GIQQCOAVWNHQON-HSZRJFAPSA-N 1 0 403.526 3.760 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(-c2cccs2)n[nH]1 ZINC000538755573 1007041366 /nfs/dbraw/zinc/04/13/66/1007041366.db2.gz CIVOWFYDXNQDGV-UHFFFAOYSA-N 1 0 415.592 3.631 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c(OC)c1 ZINC000538781165 1007062669 /nfs/dbraw/zinc/06/26/69/1007062669.db2.gz LETBZHFSBOUWHP-LEWJYISDSA-N 1 0 421.541 3.678 20 30 HHEDRO C[C@@](C#N)(CCc1ccccc1)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000532687291 1007101055 /nfs/dbraw/zinc/10/10/55/1007101055.db2.gz KVVZKFCHEKIYDE-VWLOTQADSA-N 1 0 404.558 3.620 20 30 HHEDRO COc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccc(F)cc2)cc1 ZINC000532702574 1007116608 /nfs/dbraw/zinc/11/66/08/1007116608.db2.gz SYUZOBPKIHRZHE-URXFXBBRSA-N 1 0 406.457 3.825 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000516743138 1007269058 /nfs/dbraw/zinc/26/90/58/1007269058.db2.gz SFKNVXHJMLTVMS-UHFFFAOYSA-N 1 0 421.541 3.738 20 30 HHEDRO N#CCCCOc1cccc(CNc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532889141 1007269170 /nfs/dbraw/zinc/26/91/70/1007269170.db2.gz JNDJXYWAIPFXMK-OAQYLSRUSA-N 1 0 406.530 3.679 20 30 HHEDRO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000532901465 1007278412 /nfs/dbraw/zinc/27/84/12/1007278412.db2.gz MIHOOLZOQFBFHR-SIKLNZKXSA-N 1 0 422.598 3.880 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532908111 1007283681 /nfs/dbraw/zinc/28/36/81/1007283681.db2.gz DJDGXHQGZWGTLN-OALUTQOASA-N 1 0 422.504 3.812 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000532915533 1007287220 /nfs/dbraw/zinc/28/72/20/1007287220.db2.gz QIGNWXYXAWJLCU-LAUBAEHRSA-N 1 0 424.511 3.656 20 30 HHEDRO COc1cccc(OC)c1OC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000532929901 1007303662 /nfs/dbraw/zinc/30/36/62/1007303662.db2.gz OZBNAKZJZHYNQI-UHFFFAOYSA-N 1 0 415.515 3.509 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC)cc1OC ZINC000532935088 1007307638 /nfs/dbraw/zinc/30/76/38/1007307638.db2.gz KUGNQWKGKTXCCN-UHFFFAOYSA-N 1 0 413.543 3.976 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)c1C#N ZINC000532966127 1007332505 /nfs/dbraw/zinc/33/25/05/1007332505.db2.gz DKVCGOXWZXSTJV-INIZCTEOSA-N 1 0 412.534 3.572 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000516993704 1007362813 /nfs/dbraw/zinc/36/28/13/1007362813.db2.gz CVZPDJRJAZBPHU-INIZCTEOSA-N 1 0 413.547 3.738 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1cccc(F)c1 ZINC000517103571 1007416114 /nfs/dbraw/zinc/41/61/14/1007416114.db2.gz JTGYUOPUWKQPTB-JOCHJYFZSA-N 1 0 410.493 3.553 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000533053856 1007418294 /nfs/dbraw/zinc/41/82/94/1007418294.db2.gz KZXPEPXTPKPRBX-DBXWQHBBSA-N 1 0 421.507 3.510 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000535368021 1007428537 /nfs/dbraw/zinc/42/85/37/1007428537.db2.gz KNSMDBQIVSIJDQ-OAQYLSRUSA-N 1 0 413.525 3.602 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1C#N ZINC000533068144 1007431401 /nfs/dbraw/zinc/43/14/01/1007431401.db2.gz NFHQRIGDLYQNHN-UHFFFAOYSA-N 1 0 406.461 3.974 20 30 HHEDRO C[C@H]([N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)C ZINC000533250281 1007567983 /nfs/dbraw/zinc/56/79/83/1007567983.db2.gz QESAGRUOFXPFIC-IRXDYDNUSA-N 1 0 400.567 3.722 20 30 HHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000539278598 1007573237 /nfs/dbraw/zinc/57/32/37/1007573237.db2.gz DJZIZUZSHJODJP-HKUYNNGSSA-N 1 0 423.513 3.842 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000533262579 1007577944 /nfs/dbraw/zinc/57/79/44/1007577944.db2.gz AVMRNQMNDKSJPT-QFIPXVFZSA-N 1 0 422.916 3.988 20 30 HHEDRO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535544978 1007585785 /nfs/dbraw/zinc/58/57/85/1007585785.db2.gz ANLAORVSZYTMCT-INIZCTEOSA-N 1 0 418.501 3.547 20 30 HHEDRO CO[C@H](C)C[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C(C)C ZINC000533293751 1007608519 /nfs/dbraw/zinc/60/85/19/1007608519.db2.gz RNGVOODGMVQZMM-MRXNPFEDSA-N 1 0 414.525 3.848 20 30 HHEDRO COc1ccc(CC[N@@H+](CC(=O)Nc2sccc2C#N)CC(C)C)cc1OC ZINC000533298542 1007614834 /nfs/dbraw/zinc/61/48/34/1007614834.db2.gz MOXXINBPPAVKIM-UHFFFAOYSA-N 1 0 401.532 3.776 20 30 HHEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000539333679 1007634118 /nfs/dbraw/zinc/63/41/18/1007634118.db2.gz DCJPPQSTXFAVJJ-CRAIPNDOSA-N 1 0 404.498 3.974 20 30 HHEDRO CC1CCC([N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C2CC2)CC1 ZINC000539364877 1007668691 /nfs/dbraw/zinc/66/86/91/1007668691.db2.gz HWHMQWMGRIGJOF-AFMYVXGZSA-N 1 0 400.592 3.500 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc([S@](C)=O)cc1 ZINC000539370967 1007674991 /nfs/dbraw/zinc/67/49/91/1007674991.db2.gz XORVILAEUFPJDS-SUMNFNSASA-N 1 0 415.584 3.915 20 30 HHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000533387092 1007699680 /nfs/dbraw/zinc/69/96/80/1007699680.db2.gz KBRLZDABYORTCT-UHFFFAOYSA-N 1 0 400.320 3.548 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000533394814 1007706770 /nfs/dbraw/zinc/70/67/70/1007706770.db2.gz FETWLHFJRBNPFH-HXUWFJFHSA-N 1 0 411.590 3.703 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C1CCOCC1 ZINC000539421206 1007727755 /nfs/dbraw/zinc/72/77/55/1007727755.db2.gz FDNIHSATXVBGOR-JOCHJYFZSA-N 1 0 424.545 3.708 20 30 HHEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)nc2)C1 ZINC000533443525 1007759004 /nfs/dbraw/zinc/75/90/04/1007759004.db2.gz DIECBNIBPZGKHU-JOCHJYFZSA-N 1 0 415.545 3.611 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533483464 1007792393 /nfs/dbraw/zinc/79/23/93/1007792393.db2.gz PJXXMVIENZYBBQ-HNNXBMFYSA-N 1 0 405.926 3.984 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(c3ccccc3)CCCC2)CC1 ZINC000539489918 1007801008 /nfs/dbraw/zinc/80/10/08/1007801008.db2.gz ALNKZURUUWOZDO-HXUWFJFHSA-N 1 0 408.571 3.516 20 30 HHEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C ZINC000539490951 1007802411 /nfs/dbraw/zinc/80/24/11/1007802411.db2.gz JDFNBENSMHJXBX-NZQKXSOJSA-N 1 0 410.587 3.752 20 30 HHEDRO COc1ccccc1N1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000539496558 1007808558 /nfs/dbraw/zinc/80/85/58/1007808558.db2.gz OCMLTOQCVRYGDM-JOCHJYFZSA-N 1 0 404.558 3.647 20 30 HHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000533508226 1007823916 /nfs/dbraw/zinc/82/39/16/1007823916.db2.gz PLJDGJOBRMTGCI-HZPDHXFCSA-N 1 0 403.482 3.934 20 30 HHEDRO C=C(C)[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)OCC ZINC000533689431 1008013967 /nfs/dbraw/zinc/01/39/67/1008013967.db2.gz BXYIGJKPPNFGSN-RUZDIDTESA-N 1 0 421.585 3.996 20 30 HHEDRO CCCc1noc2nc(-c3ccco3)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c12 ZINC000517862105 1008018598 /nfs/dbraw/zinc/01/85/98/1008018598.db2.gz OIYBMBXRWKFTNN-UHFFFAOYSA-N 1 0 409.490 3.743 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000517998993 1008094283 /nfs/dbraw/zinc/09/42/83/1008094283.db2.gz VFLOKRBVROQPAY-LJQANCHMSA-N 1 0 401.942 3.503 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 ZINC000539784920 1008094947 /nfs/dbraw/zinc/09/49/47/1008094947.db2.gz BMHOFDWELBDKGZ-UHFFFAOYSA-N 1 0 410.949 3.852 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000518016651 1008105939 /nfs/dbraw/zinc/10/59/39/1008105939.db2.gz NPVYRUVXYVFSPX-IBGZPJMESA-N 1 0 408.949 3.566 20 30 HHEDRO C=CCc1cc(C[N@H+](CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)cc(OC)c1O ZINC000539832782 1008126076 /nfs/dbraw/zinc/12/60/76/1008126076.db2.gz ZOBNIQFKOVAMNE-QGZVFWFLSA-N 1 0 405.502 3.854 20 30 HHEDRO COC(=O)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)CC2 ZINC000540042389 1008252326 /nfs/dbraw/zinc/25/23/26/1008252326.db2.gz CZEAKXBIVWUWHY-UHFFFAOYSA-N 1 0 423.538 3.672 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000518333309 1008265553 /nfs/dbraw/zinc/26/55/53/1008265553.db2.gz QWEIBJPXYCXZIF-UHFFFAOYSA-N 1 0 408.571 3.956 20 30 HHEDRO N#Cc1ccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C(F)(F)F)c1 ZINC000518623385 1008369238 /nfs/dbraw/zinc/36/92/38/1008369238.db2.gz HCQIWHUKBKFUPI-FQEVSTJZSA-N 1 0 403.448 3.958 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000518673931 1008387267 /nfs/dbraw/zinc/38/72/67/1008387267.db2.gz NRQMZWVYXDTXCW-FQEVSTJZSA-N 1 0 422.554 3.584 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000540365114 1008401524 /nfs/dbraw/zinc/40/15/24/1008401524.db2.gz HJFJVHJJBGJJKN-JOCHJYFZSA-N 1 0 403.457 3.723 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)ccc1OC ZINC000518747424 1008412461 /nfs/dbraw/zinc/41/24/61/1008412461.db2.gz GRYNBQBEXIDXOM-HXUWFJFHSA-N 1 0 415.603 3.790 20 30 HHEDRO O=C(C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540389579 1008412750 /nfs/dbraw/zinc/41/27/50/1008412750.db2.gz PBXOVXOHPMDTEM-DENIHFKCSA-N 1 0 416.443 3.541 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)[NH+](C)C)cc1 ZINC000518754093 1008414549 /nfs/dbraw/zinc/41/45/49/1008414549.db2.gz COLVWRHKLZTQDA-FXAWDEMLSA-N 1 0 424.570 3.747 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000518754748 1008414836 /nfs/dbraw/zinc/41/48/36/1008414836.db2.gz ZKDZBLIGSXGSKA-JOCHJYFZSA-N 1 0 408.502 3.829 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000540398161 1008416343 /nfs/dbraw/zinc/41/63/43/1008416343.db2.gz NLFLMKPGKRKUBP-IRXDYDNUSA-N 1 0 413.481 3.883 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)c1ccccc1 ZINC000540524382 1008466722 /nfs/dbraw/zinc/46/67/22/1008466722.db2.gz FRYMKSFVHQWGKH-UNMCSNQZSA-N 1 0 424.614 3.803 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519020734 1008503225 /nfs/dbraw/zinc/50/32/25/1008503225.db2.gz RHOYHZWTHHTKEN-VJBMBRPKSA-N 1 0 405.542 3.589 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000519086466 1008525413 /nfs/dbraw/zinc/52/54/13/1008525413.db2.gz VRPBWGFCUMGOAY-UHFFFAOYSA-N 1 0 412.921 3.521 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000542958036 1008529854 /nfs/dbraw/zinc/52/98/54/1008529854.db2.gz XHNBYNIMJNVSIU-KRWDZBQOSA-N 1 0 414.941 3.887 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)n2)c(F)c1 ZINC000542962062 1008534947 /nfs/dbraw/zinc/53/49/47/1008534947.db2.gz QAORSBAEVDZOJB-HXUWFJFHSA-N 1 0 418.476 3.842 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549046019 1008613221 /nfs/dbraw/zinc/61/32/21/1008613221.db2.gz AMQQQYCOPHYRLU-RTBURBONSA-N 1 0 422.577 3.552 20 30 HHEDRO CCN1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549115548 1008682319 /nfs/dbraw/zinc/68/23/19/1008682319.db2.gz JHRCASMYMWHXQQ-DZGCQCFKSA-N 1 0 402.354 3.746 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(I)cc1 ZINC000549175006 1008747980 /nfs/dbraw/zinc/74/79/80/1008747980.db2.gz XLWDOWDXAQOFIT-STQMWFEESA-N 1 0 419.266 3.841 20 30 HHEDRO Cc1cc(Cl)c2ncc(C#N)c(NCc3ccc(N4CC[NH+](C)CC4)nc3)c2c1 ZINC000549197166 1008770512 /nfs/dbraw/zinc/77/05/12/1008770512.db2.gz OZMNTDRSLMKLRU-UHFFFAOYSA-N 1 0 406.921 3.827 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Oc2cc(C)ccn2)CC1)C(C)C ZINC000519555716 1008901916 /nfs/dbraw/zinc/90/19/16/1008901916.db2.gz JTBILWOQWFUGBF-OAQYLSRUSA-N 1 0 400.567 3.641 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000543348359 1008933066 /nfs/dbraw/zinc/93/30/66/1008933066.db2.gz BZMMCKGEERWHFU-QGZVFWFLSA-N 1 0 410.518 3.834 20 30 HHEDRO COc1ccc(C2(CNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)CCC2)cc1 ZINC000543375959 1008963489 /nfs/dbraw/zinc/96/34/89/1008963489.db2.gz RYSZNVUSFBUCMJ-UHFFFAOYSA-N 1 0 420.557 3.762 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000549408621 1008996763 /nfs/dbraw/zinc/99/67/63/1008996763.db2.gz PRPMTGQIMIWNJG-SBUREZEXSA-N 1 0 407.489 3.903 20 30 HHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CCN2C2CC2)c1 ZINC000549470845 1009064574 /nfs/dbraw/zinc/06/45/74/1009064574.db2.gz DXDNPHPLGYBAPV-FYYLOGMGSA-N 1 0 415.497 3.684 20 30 HHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)s2)cc1 ZINC000543500853 1009090003 /nfs/dbraw/zinc/09/00/03/1009090003.db2.gz SBVFXEVQAZTNGH-LHSJRXKWSA-N 1 0 400.548 3.832 20 30 HHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 ZINC000543500854 1009090116 /nfs/dbraw/zinc/09/01/16/1009090116.db2.gz SBVFXEVQAZTNGH-QKKBWIMNSA-N 1 0 400.548 3.832 20 30 HHEDRO CS[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1[NH+](C)C ZINC000546128275 1009153002 /nfs/dbraw/zinc/15/30/02/1009153002.db2.gz NYYCYZZPEISWHB-YADHBBJMSA-N 1 0 424.570 3.841 20 30 HHEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCC1 ZINC000546144922 1009174463 /nfs/dbraw/zinc/17/44/63/1009174463.db2.gz NNSYUYNUAXYQKC-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000549641569 1009268464 /nfs/dbraw/zinc/26/84/64/1009268464.db2.gz RIZLEDABZUOGPJ-UHFFFAOYSA-N 1 0 409.578 3.850 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549697675 1009327261 /nfs/dbraw/zinc/32/72/61/1009327261.db2.gz NMDKDSZUMOINAC-UHFFFAOYSA-N 1 0 402.340 3.568 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549752398 1009369825 /nfs/dbraw/zinc/36/98/25/1009369825.db2.gz IMRPDCDTOWQNFG-UHFFFAOYSA-N 1 0 422.577 3.698 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c(-c2ccccc2)n1 ZINC000549831249 1009442020 /nfs/dbraw/zinc/44/20/20/1009442020.db2.gz SAGPWFKPZDQKSJ-UHFFFAOYSA-N 1 0 401.514 3.590 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543884342 1009459879 /nfs/dbraw/zinc/45/98/79/1009459879.db2.gz MLGIFOBOWYJUGG-CABCVRRESA-N 1 0 400.914 3.639 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@H]1C ZINC000543886791 1009462854 /nfs/dbraw/zinc/46/28/54/1009462854.db2.gz QPKPYQNVROIZJX-GOEBONIOSA-N 1 0 400.914 3.734 20 30 HHEDRO C[N@H+](CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)Cc1ccccc1 ZINC000543888621 1009466274 /nfs/dbraw/zinc/46/62/74/1009466274.db2.gz VHJDAGQHUFHOEL-UHFFFAOYSA-N 1 0 408.893 3.651 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c(Cl)c1 ZINC000543928359 1009520620 /nfs/dbraw/zinc/52/06/20/1009520620.db2.gz PXAWVTGTKZQOLW-SFHVURJKSA-N 1 0 420.904 3.643 20 30 HHEDRO CCC[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(C#N)cc1 ZINC000549997160 1009595023 /nfs/dbraw/zinc/59/50/23/1009595023.db2.gz GOBKWKRREVOIFF-UHFFFAOYSA-N 1 0 408.546 3.565 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@H]1CC=CCC1 ZINC000544106512 1009715725 /nfs/dbraw/zinc/71/57/25/1009715725.db2.gz OGXYTXRBFOAYOZ-OALUTQOASA-N 1 0 410.562 3.644 20 30 HHEDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000550189391 1009763689 /nfs/dbraw/zinc/76/36/89/1009763689.db2.gz AFKYUPIUVGXUBI-IBGZPJMESA-N 1 0 409.505 3.842 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000520698517 1009765640 /nfs/dbraw/zinc/76/56/40/1009765640.db2.gz SRWFUBYIZHSGNX-UHFFFAOYSA-N 1 0 424.520 3.918 20 30 HHEDRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000550303091 1009847678 /nfs/dbraw/zinc/84/76/78/1009847678.db2.gz YONAZFCLHNLBGL-UHFFFAOYSA-N 1 0 418.607 3.826 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)c1ccco1 ZINC000550347303 1009877945 /nfs/dbraw/zinc/87/79/45/1009877945.db2.gz LAWNEVDGNUHTNR-MRXNPFEDSA-N 1 0 416.547 3.648 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544309990 1009932843 /nfs/dbraw/zinc/93/28/43/1009932843.db2.gz RIIKKWIYBGQIMX-GHTZIAJQSA-N 1 0 422.529 3.616 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1C#N ZINC000550462442 1009958386 /nfs/dbraw/zinc/95/83/86/1009958386.db2.gz JWQUHEJGYXTXCO-QHCPKHFHSA-N 1 0 422.573 3.740 20 30 HHEDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000520985455 1010025324 /nfs/dbraw/zinc/02/53/24/1010025324.db2.gz ZFEXWQPCRBUBLW-HXUWFJFHSA-N 1 0 408.502 3.565 20 30 HHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000521103099 1010122936 /nfs/dbraw/zinc/12/29/36/1010122936.db2.gz XCWLFZCLDJYGRY-UHFFFAOYSA-N 1 0 420.557 3.902 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)c2)c1 ZINC000521210823 1010231510 /nfs/dbraw/zinc/23/15/10/1010231510.db2.gz HSUXSZWFGHVLQY-NRFANRHFSA-N 1 0 419.525 3.725 20 30 HHEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(CCc4ccccc4)CC3)CC2)nc1 ZINC000547312394 1010249120 /nfs/dbraw/zinc/24/91/20/1010249120.db2.gz MLESYEYOZUTYDC-UHFFFAOYSA-N 1 0 404.558 3.940 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccco1 ZINC000521502142 1010417003 /nfs/dbraw/zinc/41/70/03/1010417003.db2.gz UUCOAJRWXSWWAJ-SFHVURJKSA-N 1 0 400.548 3.763 20 30 HHEDRO C[NH+](C)CCN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(F)cc1F ZINC000521514002 1010428167 /nfs/dbraw/zinc/42/81/67/1010428167.db2.gz DRBSADKDOBNHMM-UHFFFAOYSA-N 1 0 424.499 3.701 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000521584180 1010481548 /nfs/dbraw/zinc/48/15/48/1010481548.db2.gz GCVJDPKQTSQUAU-UHFFFAOYSA-N 1 0 410.356 3.510 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000521585192 1010482236 /nfs/dbraw/zinc/48/22/36/1010482236.db2.gz WREJBDSDZUPATN-IBGZPJMESA-N 1 0 422.367 3.573 20 30 HHEDRO CCCN(CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000521589307 1010485809 /nfs/dbraw/zinc/48/58/09/1010485809.db2.gz XAVHENLRNDMSTA-UHFFFAOYSA-N 1 0 418.585 3.813 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000521596289 1010491942 /nfs/dbraw/zinc/49/19/42/1010491942.db2.gz JVLVLOCCXUYYDN-NRFANRHFSA-N 1 0 417.981 3.844 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521739558 1010584576 /nfs/dbraw/zinc/58/45/76/1010584576.db2.gz HKUXNHCFXHHECW-QZTJIDSGSA-N 1 0 416.591 3.505 20 30 HHEDRO C=CCOc1cccc(C[NH2+]C2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)c1 ZINC000521833811 1010645361 /nfs/dbraw/zinc/64/53/61/1010645361.db2.gz DIWANCOUXNCTPI-UHFFFAOYSA-N 1 0 414.571 3.804 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000521853230 1010661990 /nfs/dbraw/zinc/66/19/90/1010661990.db2.gz NMVHOSSZARUYNR-OAQYLSRUSA-N 1 0 413.562 3.741 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000548826766 1010738831 /nfs/dbraw/zinc/73/88/31/1010738831.db2.gz HCLVGIWIXUWOAI-LJQANCHMSA-N 1 0 411.937 3.605 20 30 HHEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000548865806 1010747995 /nfs/dbraw/zinc/74/79/95/1010747995.db2.gz RLGHSADDZKRSJN-UHFFFAOYSA-N 1 0 413.319 3.730 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000548931186 1010766161 /nfs/dbraw/zinc/76/61/61/1010766161.db2.gz QFAQNNOALADVOC-HNNXBMFYSA-N 1 0 416.319 3.509 20 30 HHEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000548940039 1010771566 /nfs/dbraw/zinc/77/15/66/1010771566.db2.gz XATYANPHLFCHGR-UHFFFAOYSA-N 1 0 413.562 3.994 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000522107725 1010815630 /nfs/dbraw/zinc/81/56/30/1010815630.db2.gz UJUSBQLWHCLLMI-JOCHJYFZSA-N 1 0 423.557 3.896 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000522277583 1010900816 /nfs/dbraw/zinc/90/08/16/1010900816.db2.gz PNJZBXADEWXJJJ-QFIPXVFZSA-N 1 0 408.571 3.755 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000522561184 1011081056 /nfs/dbraw/zinc/08/10/56/1011081056.db2.gz IBIHEYXNRZCAHJ-HXUWFJFHSA-N 1 0 420.557 3.942 20 30 HHEDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000536210140 1011357184 /nfs/dbraw/zinc/35/71/84/1011357184.db2.gz RWBYMJCEBAEJHD-UHFFFAOYSA-N 1 0 409.555 3.628 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H]1c1ccccc1 ZINC000536266109 1011435473 /nfs/dbraw/zinc/43/54/73/1011435473.db2.gz XIJDNOHIBRRAPB-GGAORHGYSA-N 1 0 401.466 3.905 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000540864679 1011539433 /nfs/dbraw/zinc/53/94/33/1011539433.db2.gz ODXSSNDMRATIPV-IBGZPJMESA-N 1 0 400.486 3.552 20 30 HHEDRO COc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)CC2 ZINC000536346721 1011551808 /nfs/dbraw/zinc/55/18/08/1011551808.db2.gz YYVVHSRLEUVNDI-UHFFFAOYSA-N 1 0 409.555 3.937 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000540979639 1011612219 /nfs/dbraw/zinc/61/22/19/1011612219.db2.gz JKDDIYJWVLIMQD-SJLPKXTDSA-N 1 0 418.476 3.668 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981213 1011616738 /nfs/dbraw/zinc/61/67/38/1011616738.db2.gz LUCBEVAJIZSDDQ-WMZOPIPTSA-N 1 0 418.476 3.840 20 30 HHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)N3CCC(CC#N)CC3)cc2)C[C@@H]1C ZINC000540991924 1011624803 /nfs/dbraw/zinc/62/48/03/1011624803.db2.gz QYQSYYBIXHYFHG-PMACEKPBSA-N 1 0 412.578 3.531 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H](C)C1 ZINC000541105299 1011752344 /nfs/dbraw/zinc/75/23/44/1011752344.db2.gz JLPITFFTQQNHJP-PBHICJAKSA-N 1 0 400.914 3.591 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000551751279 1011910859 /nfs/dbraw/zinc/91/08/59/1011910859.db2.gz DRPRRCXIJNVLRD-KSSFIOAISA-N 1 0 402.420 3.755 20 30 HHEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3n(c2C#N)CCS3)c1 ZINC000541283603 1011977776 /nfs/dbraw/zinc/97/77/76/1011977776.db2.gz GWRMQLYCYVGMQU-UHFFFAOYSA-N 1 0 403.511 3.745 20 30 HHEDRO C=CCOc1ccc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1OC ZINC000552007219 1012044586 /nfs/dbraw/zinc/04/45/86/1012044586.db2.gz PYQGPVRAUSHZDQ-UHFFFAOYSA-N 1 0 403.482 3.771 20 30 HHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000552040775 1012061788 /nfs/dbraw/zinc/06/17/88/1012061788.db2.gz WZINQKYDBBZZQU-QHCPKHFHSA-N 1 0 420.557 3.735 20 30 HHEDRO C=CC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000552042524 1012062614 /nfs/dbraw/zinc/06/26/14/1012062614.db2.gz LETJSPJGQIKKRV-MRXNPFEDSA-N 1 0 403.515 3.930 20 30 HHEDRO CC(C)(C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc(F)cc(C#N)c1 ZINC000552091960 1012107766 /nfs/dbraw/zinc/10/77/66/1012107766.db2.gz CNWOJVMLDXTFMD-UHFFFAOYSA-N 1 0 409.505 3.818 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000523573322 1012117627 /nfs/dbraw/zinc/11/76/27/1012117627.db2.gz UBWZVQVKEFPYEA-INIZCTEOSA-N 1 0 401.507 3.550 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536942843 1012239185 /nfs/dbraw/zinc/23/91/85/1012239185.db2.gz XBUVUSLTBZHVGZ-WOJBJXKFSA-N 1 0 408.949 3.564 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541590581 1012381273 /nfs/dbraw/zinc/38/12/73/1012381273.db2.gz XJJSQZXTAQKEAT-REWPJTCUSA-N 1 0 407.493 3.561 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2)CC1 ZINC000552385323 1012395979 /nfs/dbraw/zinc/39/59/79/1012395979.db2.gz MZROATXCAWXSMH-UHFFFAOYSA-N 1 0 406.505 3.898 20 30 HHEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000537074156 1012416280 /nfs/dbraw/zinc/41/62/80/1012416280.db2.gz WYNSTLAHNUXAGD-XMMPIXPASA-N 1 0 417.484 3.896 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H](C)C1 ZINC000523784059 1012433421 /nfs/dbraw/zinc/43/34/21/1012433421.db2.gz DBBVCRUILKVDPI-YKSBVNFPSA-N 1 0 420.557 3.740 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC000537107399 1012477375 /nfs/dbraw/zinc/47/73/75/1012477375.db2.gz YNBJMLZIVWYRCM-MSOLQXFVSA-N 1 0 422.504 3.938 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000537249442 1012694879 /nfs/dbraw/zinc/69/48/79/1012694879.db2.gz UTJCATREPAFNBU-NFBKMPQASA-N 1 0 408.571 3.588 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)C2)c(F)c1 ZINC000552707791 1012719592 /nfs/dbraw/zinc/71/95/92/1012719592.db2.gz RZLFQRHSIIIGLZ-FXAWDEMLSA-N 1 0 412.534 3.538 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537290220 1012748149 /nfs/dbraw/zinc/74/81/49/1012748149.db2.gz KOCRHWMWRJTUAL-LEWJYISDSA-N 1 0 408.571 3.754 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ncc(Cl)cc3Cl)CC2)cc1 ZINC000541909561 1012768516 /nfs/dbraw/zinc/76/85/16/1012768516.db2.gz HXBNFJDHIUCGRU-UHFFFAOYSA-N 1 0 405.329 3.893 20 30 HHEDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000524025787 1012772712 /nfs/dbraw/zinc/77/27/12/1012772712.db2.gz HCPXWNNFUAYLAY-UHFFFAOYSA-N 1 0 408.502 3.973 20 30 HHEDRO CC(C)C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000537361323 1012832294 /nfs/dbraw/zinc/83/22/94/1012832294.db2.gz WUMQGSNYWIUBCI-WUZYXKQASA-N 1 0 405.506 3.936 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000524071687 1012834715 /nfs/dbraw/zinc/83/47/15/1012834715.db2.gz DEQNLLSQTBKERJ-QGZVFWFLSA-N 1 0 402.564 3.657 20 30 HHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000542017502 1012907391 /nfs/dbraw/zinc/90/73/91/1012907391.db2.gz DROAXWJZKAKDBQ-UHFFFAOYSA-N 1 0 420.904 3.956 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542029048 1012924425 /nfs/dbraw/zinc/92/44/25/1012924425.db2.gz YIPZUTCUYGESDP-NVXWUHKLSA-N 1 0 410.497 3.658 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C[NH+]1CCCCC1 ZINC000542030033 1012926778 /nfs/dbraw/zinc/92/67/78/1012926778.db2.gz HMNRXOPVEQFEFY-OAHLLOKOSA-N 1 0 400.914 3.641 20 30 HHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)C2)CC1 ZINC000542032694 1012930731 /nfs/dbraw/zinc/93/07/31/1012930731.db2.gz QCCFXWVRFRTYQQ-KRWDZBQOSA-N 1 0 412.925 3.593 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NCc3ccccc3-n3ccnc3)n2)c(Cl)c1 ZINC000542033770 1012931441 /nfs/dbraw/zinc/93/14/41/1012931441.db2.gz XHBLAZYAOJYYNZ-UHFFFAOYSA-N 1 0 417.860 3.905 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000542035137 1012934037 /nfs/dbraw/zinc/93/40/37/1012934037.db2.gz VNXBOYQIQHEFKP-IBGZPJMESA-N 1 0 420.904 3.793 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000553016913 1012991965 /nfs/dbraw/zinc/99/19/65/1012991965.db2.gz KHCDSWDNWFXOFN-IBGZPJMESA-N 1 0 421.541 3.813 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000524189999 1012993983 /nfs/dbraw/zinc/99/39/83/1012993983.db2.gz KOEZQDLVSPVYBY-FQEVSTJZSA-N 1 0 417.557 3.615 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000524211491 1013019658 /nfs/dbraw/zinc/01/96/58/1013019658.db2.gz LHJXWNQHAMAZHX-PKTZIBPZSA-N 1 0 406.530 3.552 20 30 HHEDRO Cc1cc(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1CCC#N ZINC000537515841 1013029690 /nfs/dbraw/zinc/02/96/90/1013029690.db2.gz XJCVCUMGQBBHLV-QZTJIDSGSA-N 1 0 408.550 3.905 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2cccc(C)c2)c1 ZINC000729670315 1071784995 /nfs/dbraw/zinc/78/49/95/1071784995.db2.gz OFVNSDFDQBBZEX-UHFFFAOYSA-O 1 0 420.470 3.585 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ncccc2Br)no1 ZINC001211975447 1071829158 /nfs/dbraw/zinc/82/91/58/1071829158.db2.gz HDTFMUNWVOUGFS-HIFRSBDPSA-N 1 0 409.328 3.972 20 30 HHEDRO C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001212039175 1071924274 /nfs/dbraw/zinc/92/42/74/1071924274.db2.gz OTZVTIQWPNSNEJ-QRWLVFNGSA-N 1 0 417.513 3.653 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000729808388 1072124416 /nfs/dbraw/zinc/12/44/16/1072124416.db2.gz AZCFNUFVQTXXGD-JSGCOSHPSA-N 1 0 400.700 3.511 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000729809522 1072125297 /nfs/dbraw/zinc/12/52/97/1072125297.db2.gz LFOJLOHYPGCZIS-UGKGYDQZSA-N 1 0 424.928 3.842 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000729810154 1072126177 /nfs/dbraw/zinc/12/61/77/1072126177.db2.gz VEBMUXIAOXTDJS-WAEYIKQSSA-N 1 0 424.497 3.533 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000729811923 1072127104 /nfs/dbraw/zinc/12/71/04/1072127104.db2.gz GOYFCCQZSMADHB-OAQYLSRUSA-N 1 0 416.477 3.868 20 30 HHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000570248354 1072207626 /nfs/dbraw/zinc/20/76/26/1072207626.db2.gz QNJJQRHRFFHFPX-UHFFFAOYSA-N 1 0 410.953 3.835 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1C#N ZINC000760307444 1072236360 /nfs/dbraw/zinc/23/63/60/1072236360.db2.gz JLCSOTBWFBOWPY-UHFFFAOYSA-N 1 0 413.403 3.770 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000760371938 1072286048 /nfs/dbraw/zinc/28/60/48/1072286048.db2.gz NLTYUAZWIGUJQW-BGYRXZFFSA-N 1 0 405.542 3.926 20 30 HHEDRO NC(=[NH+]OCc1cc2ccccc2nc1Cl)c1ccc(N2CCC(O)CC2)cc1 ZINC000760443941 1072354892 /nfs/dbraw/zinc/35/48/92/1072354892.db2.gz WGSNMDGCUIPMGU-UHFFFAOYSA-N 1 0 410.905 3.686 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](CO)c3ccc(Br)cc3)CC2)cc1 ZINC000586791386 1072442231 /nfs/dbraw/zinc/44/22/31/1072442231.db2.gz HOFYNRDHCGOXFT-HXUWFJFHSA-N 1 0 400.320 3.613 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)C2)c(F)c1 ZINC000587121272 1072511667 /nfs/dbraw/zinc/51/16/67/1072511667.db2.gz BIGJPWCIIYDBGB-OAQYLSRUSA-N 1 0 412.553 3.638 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1OCC ZINC000571068880 1072551558 /nfs/dbraw/zinc/55/15/58/1072551558.db2.gz QPYYHRVCCCCPMB-VQIMIIECSA-N 1 0 423.351 3.559 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000587732815 1072658043 /nfs/dbraw/zinc/65/80/43/1072658043.db2.gz UMDKYZLSSWBZGV-SFYKDHMMSA-N 1 0 420.557 3.617 20 30 HHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)c2c1 ZINC000587987412 1072731096 /nfs/dbraw/zinc/73/10/96/1072731096.db2.gz LVEZLBGLSSYJBW-LJQANCHMSA-N 1 0 402.498 3.834 20 30 HHEDRO COCC[NH+]1CCC(Nc2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479392065 1072805027 /nfs/dbraw/zinc/80/50/27/1072805027.db2.gz BRAOCWVHNXWUTG-UHFFFAOYSA-N 1 0 403.324 3.700 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1 ZINC000554980525 1073021314 /nfs/dbraw/zinc/02/13/14/1073021314.db2.gz FWQDSBQGXBSQRM-UHFFFAOYSA-N 1 0 405.498 3.910 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000555130927 1073180964 /nfs/dbraw/zinc/18/09/64/1073180964.db2.gz GOKVKAQUCCNTPJ-XMSQKQJNSA-N 1 0 419.447 3.788 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000555161834 1073221575 /nfs/dbraw/zinc/22/15/75/1073221575.db2.gz YUEFUEPERVLMQM-LEWJYISDSA-N 1 0 408.571 3.684 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555287869 1073310431 /nfs/dbraw/zinc/31/04/31/1073310431.db2.gz SRLZGTZKWHSYEF-UHFFFAOYSA-N 1 0 423.561 3.605 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298465 1073318500 /nfs/dbraw/zinc/31/85/00/1073318500.db2.gz OAKGYSXBVZRWQC-NTKDMRAZSA-N 1 0 420.532 3.567 20 30 HHEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588967140 1073362653 /nfs/dbraw/zinc/36/26/53/1073362653.db2.gz PYKMXAWPQADSMC-KBPBESRZSA-N 1 0 411.449 3.528 20 30 HHEDRO C=CCn1c2nnc(S[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c2ccccc2c1=O ZINC000555468484 1073534834 /nfs/dbraw/zinc/53/48/34/1073534834.db2.gz AHGRJTQCRDQKAF-GOSISDBHSA-N 1 0 417.538 3.597 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000590143141 1073584796 /nfs/dbraw/zinc/58/47/96/1073584796.db2.gz INYLCPLPURGTTL-QHCPKHFHSA-N 1 0 408.546 3.752 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(-c2ccncc2)n1 ZINC000555619714 1073686033 /nfs/dbraw/zinc/68/60/33/1073686033.db2.gz ANPJSOZKCRDFJD-UHFFFAOYSA-N 1 0 401.392 3.889 20 30 HHEDRO c1ccc(CNC(NCCc2nnc3ccccn32)=[NH+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000899893259 1073951707 /nfs/dbraw/zinc/95/17/07/1073951707.db2.gz OSJZOMLBNNKBQJ-BHDDXSALSA-N 1 0 416.573 3.976 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC000592068687 1074686768 /nfs/dbraw/zinc/68/67/68/1074686768.db2.gz SENNDRFNQVRZGX-LBPRGKRZSA-N 1 0 401.732 3.636 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000592068452 1074686785 /nfs/dbraw/zinc/68/67/85/1074686785.db2.gz LGLAWKRZZULZGM-HSZRJFAPSA-N 1 0 405.542 3.623 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c([nH]2)c(Br)ccc3OC)CC1 ZINC000592075701 1074687763 /nfs/dbraw/zinc/68/77/63/1074687763.db2.gz YQAULNALGBYQMU-UHFFFAOYSA-N 1 0 406.324 3.709 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)CC1 ZINC000592334295 1074730860 /nfs/dbraw/zinc/73/08/60/1074730860.db2.gz LCSCXGCQLZNBIE-UHFFFAOYSA-N 1 0 411.575 3.868 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)CC1 ZINC000592351991 1074734148 /nfs/dbraw/zinc/73/41/48/1074734148.db2.gz QAFQTPSCJNJIKJ-UHFFFAOYSA-N 1 0 409.534 3.666 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000592524179 1074781356 /nfs/dbraw/zinc/78/13/56/1074781356.db2.gz SXPROYIKTMHKRW-UHFFFAOYSA-N 1 0 410.493 3.528 20 30 HHEDRO Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c(C)n1-c1ccc(C#N)cc1 ZINC000761000177 1075129061 /nfs/dbraw/zinc/12/90/61/1075129061.db2.gz KGIAKKZIMMYGLW-OAQYLSRUSA-N 1 0 414.509 3.935 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000574306936 1075216883 /nfs/dbraw/zinc/21/68/83/1075216883.db2.gz MRCHVJNQPNXOAE-ISKFKSNPSA-N 1 0 419.569 3.791 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000574897474 1075395967 /nfs/dbraw/zinc/39/59/67/1075395967.db2.gz QLOOGDJNVOXNOF-UHFFFAOYSA-N 1 0 406.507 3.701 20 30 HHEDRO COc1cc(-c2noc(C3(c4ccc(C#N)cc4)CC3)n2)ccc1OCC[NH+](C)C ZINC000575092322 1075476143 /nfs/dbraw/zinc/47/61/43/1075476143.db2.gz CXNQGYXHNSEZPT-UHFFFAOYSA-N 1 0 404.470 3.637 20 30 HHEDRO C=CC[N@@H+](Cc1cccc(C(=O)NCC(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213369 1075544835 /nfs/dbraw/zinc/54/48/35/1075544835.db2.gz FDGIWFRHWVFYFW-LJQANCHMSA-N 1 0 418.545 3.797 20 30 HHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000601705991 1075644571 /nfs/dbraw/zinc/64/45/71/1075644571.db2.gz QMTSICWMUFECTJ-UHFFFAOYSA-N 1 0 423.586 3.751 20 30 HHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)cc2c1Cl ZINC001164390122 718826976 /nfs/dbraw/zinc/82/69/76/718826976.db2.gz MULOCYTYWNJVLZ-LSDHHAIUSA-N 1 0 413.255 3.525 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)cnc2Cl)cc1 ZINC001164409805 718865847 /nfs/dbraw/zinc/86/58/47/718865847.db2.gz UIMBKSVRLSCRJW-LPHOPBHVSA-N 1 0 418.875 3.633 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)c(C)c1C#N)C2 ZINC001164807003 720087273 /nfs/dbraw/zinc/08/72/73/720087273.db2.gz FBNLZMOMNYOZEP-QRWLVFNGSA-N 1 0 409.361 3.753 20 30 HHEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)c(C)c1Cl ZINC001164839037 720511116 /nfs/dbraw/zinc/51/11/16/720511116.db2.gz SADDLIOAHYBUBL-NLWGTHIKSA-N 1 0 412.969 3.798 20 30 HHEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)c(C)c1Cl ZINC001164839039 720512179 /nfs/dbraw/zinc/51/21/79/720512179.db2.gz SADDLIOAHYBUBL-WSTZPKSXSA-N 1 0 412.969 3.798 20 30 HHEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)C1 ZINC001164734709 720536833 /nfs/dbraw/zinc/53/68/33/720536833.db2.gz KRGUPBOUHCSAKM-CYBMUJFWSA-N 1 0 415.328 3.808 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@@H]21 ZINC001164840104 720543068 /nfs/dbraw/zinc/54/30/68/720543068.db2.gz RLHLKJZMVUJNMZ-BVSLBCMMSA-N 1 0 404.562 3.601 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)c(Cl)cc3C#N)CC[C@@H]21 ZINC001164836701 720545447 /nfs/dbraw/zinc/54/54/47/720545447.db2.gz KSMDHTNWJXSPEQ-RYRKJORJSA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839282 720639459 /nfs/dbraw/zinc/63/94/59/720639459.db2.gz NCKQAYVKMUCEMR-RLFYNMQTSA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)[C@@H]2C ZINC001164863588 720985920 /nfs/dbraw/zinc/98/59/20/720985920.db2.gz WWRDYYBBENXSTR-MRXNPFEDSA-N 1 0 423.565 3.556 20 30 HHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870215 721136788 /nfs/dbraw/zinc/13/67/88/721136788.db2.gz BWAOVBJTJWVCTQ-QZTJIDSGSA-N 1 0 419.916 3.635 20 30 HHEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5cc(F)ccc5c(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164768013 721245515 /nfs/dbraw/zinc/24/55/15/721245515.db2.gz XKTJDAWZTIDLAW-JKSUJKDBSA-N 1 0 424.911 3.591 20 30 HHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898537 721518012 /nfs/dbraw/zinc/51/80/12/721518012.db2.gz ILGVWXNOEPKPKS-FUHWJXTLSA-N 1 0 423.879 3.636 20 30 HHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905250 721536898 /nfs/dbraw/zinc/53/68/98/721536898.db2.gz HHETXDPSXCWHRT-RDJZCZTQSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904697 721546766 /nfs/dbraw/zinc/54/67/66/721546766.db2.gz FZRRSBDRXXJMKN-NVXWUHKLSA-N 1 0 422.838 3.633 20 30 HHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#C[Si](C)(C)C)ccn2)[C@H]2CCCO[C@H]12 ZINC001164807706 721589428 /nfs/dbraw/zinc/58/94/28/721589428.db2.gz PRDYQHQWJWNXJZ-ZDXQCDESSA-N 1 0 420.633 3.574 20 30 HHEDRO N#CC1(c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2)CCOCC1 ZINC001164955636 722021474 /nfs/dbraw/zinc/02/14/74/722021474.db2.gz LLVNSZLIORXWRJ-UHFFFAOYSA-N 1 0 417.557 3.541 20 30 HHEDRO CC[NH+]1CCN(c2ccc(CNc3c(C#N)cnc4c(C)cc(F)cc43)cn2)CC1 ZINC000301343793 970878878 /nfs/dbraw/zinc/87/88/78/970878878.db2.gz GKNGBAPVHXSRER-UHFFFAOYSA-N 1 0 404.493 3.703 20 30 HHEDRO Cc1cccc([C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)N2CCOCC2)c1 ZINC000301387898 970901185 /nfs/dbraw/zinc/90/11/85/970901185.db2.gz YAPUFNWQIFYCLR-QFIPXVFZSA-N 1 0 417.469 3.809 20 30 HHEDRO N#Cc1cc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ccccc2n1 ZINC000301394210 970905876 /nfs/dbraw/zinc/90/58/76/970905876.db2.gz DCNRENILWVGNCJ-FQEVSTJZSA-N 1 0 412.541 3.540 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000302063636 971166914 /nfs/dbraw/zinc/16/69/14/971166914.db2.gz VASLCCWEEQNOBW-GOSISDBHSA-N 1 0 424.451 3.887 20 30 HHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000302752514 971303197 /nfs/dbraw/zinc/30/31/97/971303197.db2.gz HZPGPQPIYBMQHA-OAQYLSRUSA-N 1 0 411.571 3.566 20 30 HHEDRO N#Cc1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000302887208 971371986 /nfs/dbraw/zinc/37/19/86/971371986.db2.gz NPCUDOSAYSGBCX-GOSISDBHSA-N 1 0 400.320 3.890 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cc1 ZINC000302900295 971380893 /nfs/dbraw/zinc/38/08/93/971380893.db2.gz RCLDZQIGLLSAPD-UHFFFAOYSA-N 1 0 407.901 3.722 20 30 HHEDRO N#Cc1c(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)sc2c1CCCCC2 ZINC000302916755 971393668 /nfs/dbraw/zinc/39/36/68/971393668.db2.gz ZQRRPCAHQCMRFD-UHFFFAOYSA-N 1 0 422.598 3.687 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043130 971472773 /nfs/dbraw/zinc/47/27/73/971472773.db2.gz SUENYBDRRDCBBV-PKTZIBPZSA-N 1 0 416.606 3.607 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000303416473 971693439 /nfs/dbraw/zinc/69/34/39/971693439.db2.gz WQENWRTWTJATTP-FQEVSTJZSA-N 1 0 422.598 3.737 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565661 971859736 /nfs/dbraw/zinc/85/97/36/971859736.db2.gz INURLHVGXZQYLT-ACIOBRDBSA-N 1 0 416.606 3.750 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000303628528 971910556 /nfs/dbraw/zinc/91/05/56/971910556.db2.gz FECHBHABQXFLOE-IBGZPJMESA-N 1 0 407.562 3.688 20 30 HHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629207 1013181442 /nfs/dbraw/zinc/18/14/42/1013181442.db2.gz ZULRRWSECHHIHX-INIZCTEOSA-N 1 0 403.465 3.941 20 30 HHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000303865566 972408035 /nfs/dbraw/zinc/40/80/35/972408035.db2.gz BQFHAQAGMVGWHK-UHFFFAOYSA-N 1 0 414.575 3.523 20 30 HHEDRO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553219468 1013186463 /nfs/dbraw/zinc/18/64/63/1013186463.db2.gz YZVNPOPLPYAHNY-XLIONFOSSA-N 1 0 414.912 3.596 20 30 HHEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 ZINC000303876931 972418416 /nfs/dbraw/zinc/41/84/16/972418416.db2.gz FDHOITJYJUSTFL-MRXNPFEDSA-N 1 0 414.575 3.651 20 30 HHEDRO [NH2+]=C(NCCc1ccc(F)c(Br)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303877560 972418593 /nfs/dbraw/zinc/41/85/93/972418593.db2.gz IQZUGJGKGFORCQ-UHFFFAOYSA-N 1 0 408.271 3.719 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2ccccc2-c2ccc(Cn3cncn3)cc2)cc1 ZINC000303882632 972423632 /nfs/dbraw/zinc/42/36/32/972423632.db2.gz LRPADWWLYYJMAM-UHFFFAOYSA-N 1 0 412.497 3.929 20 30 HHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000303893692 972433784 /nfs/dbraw/zinc/43/37/84/972433784.db2.gz OIWHXTOCYISIDW-INIZCTEOSA-N 1 0 421.467 3.523 20 30 HHEDRO [NH2+]=C(NCc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 ZINC000303904621 972474462 /nfs/dbraw/zinc/47/44/62/972474462.db2.gz VAFAJCOEWWCKPF-UHFFFAOYSA-N 1 0 401.772 3.937 20 30 HHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000303904571 972474759 /nfs/dbraw/zinc/47/47/59/972474759.db2.gz YVNWEJQZVHHMJK-NRFANRHFSA-N 1 0 408.546 3.647 20 30 HHEDRO CNS(=O)(=O)c1cccc(CNC(Nc2ccccc2)=[NH+]Cc2ccc(C)cc2)c1 ZINC000303911291 972483742 /nfs/dbraw/zinc/48/37/42/972483742.db2.gz ZMGMLQZAADGJCU-UHFFFAOYSA-N 1 0 422.554 3.661 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH+]2CCN(c3ccc(F)cc3)CC2)sc2c1CCCC2 ZINC000007600596 961253536 /nfs/dbraw/zinc/25/35/36/961253536.db2.gz XIPGBJTXADXVFH-UHFFFAOYSA-N 1 0 412.534 3.788 20 30 HHEDRO CC(=O)N1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC12CCCCC2 ZINC000537708536 1013274492 /nfs/dbraw/zinc/27/44/92/1013274492.db2.gz MCQXWMPOLJOEOH-UHFFFAOYSA-N 1 0 405.546 3.831 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000553334499 1013281275 /nfs/dbraw/zinc/28/12/75/1013281275.db2.gz PNBAXDAYDCJEJS-YKSBVNFPSA-N 1 0 407.514 3.699 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C[C@H](C)O1 ZINC000553444095 1013358301 /nfs/dbraw/zinc/35/83/01/1013358301.db2.gz UBLLGNBTWVFCFK-HOTGVXAUSA-N 1 0 401.942 3.575 20 30 HHEDRO C[N@H+](CCOc1ccccc1F)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000015046410 962642965 /nfs/dbraw/zinc/64/29/65/962642965.db2.gz HHYDHEZYWYUJKJ-UHFFFAOYSA-N 1 0 401.507 3.977 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000542420234 1013371842 /nfs/dbraw/zinc/37/18/42/1013371842.db2.gz YPDUUFCWGCEKMC-WIYYLYMNSA-N 1 0 422.529 3.758 20 30 HHEDRO Cc1sc2nc([C@@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)[nH]c(=O)c2c1C ZINC000021405053 963461029 /nfs/dbraw/zinc/46/10/29/963461029.db2.gz IQUHUPFXIIKZEB-MRXNPFEDSA-N 1 0 421.570 3.742 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)cc1 ZINC000021405551 963461065 /nfs/dbraw/zinc/46/10/65/963461065.db2.gz CTWNCBPBXHDEMU-UHFFFAOYSA-N 1 0 413.481 3.661 20 30 HHEDRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000542473229 1013421176 /nfs/dbraw/zinc/42/11/76/1013421176.db2.gz UEMKBGKJJMQDRR-WMZOPIPTSA-N 1 0 411.477 3.569 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1cccc(CO)c1 ZINC000022796407 963718712 /nfs/dbraw/zinc/71/87/12/963718712.db2.gz ASURZVZENIPSHZ-UHFFFAOYSA-O 1 0 410.346 3.878 20 30 HHEDRO N#CCCN(C(=O)CN1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000022808730 963720735 /nfs/dbraw/zinc/72/07/35/963720735.db2.gz MZWBTPPTTBKVEZ-UHFFFAOYSA-N 1 0 410.949 3.795 20 30 HHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[n+]1ccccc1CC ZINC000022805773 963720748 /nfs/dbraw/zinc/72/07/48/963720748.db2.gz VSQFSYGMOCAMCO-UHFFFAOYSA-O 1 0 416.567 3.597 20 30 HHEDRO CCCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc(N(C)C)cc1 ZINC000022804421 963720802 /nfs/dbraw/zinc/72/08/02/963720802.db2.gz UCNZXTULLJMHQL-UHFFFAOYSA-O 1 0 421.384 3.741 20 30 HHEDRO CC(C)([C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542519374 1013463777 /nfs/dbraw/zinc/46/37/77/1013463777.db2.gz DZYIWYQUSOXWSY-QFIPXVFZSA-N 1 0 412.484 3.980 20 30 HHEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000542523958 1013466569 /nfs/dbraw/zinc/46/65/69/1013466569.db2.gz DDPSSLDMKJECEH-FCHUYYIVSA-N 1 0 424.614 3.622 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000542531727 1013475110 /nfs/dbraw/zinc/47/51/10/1013475110.db2.gz KTHZKXWAAPDUAA-PMACEKPBSA-N 1 0 412.578 3.575 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000542531734 1013475181 /nfs/dbraw/zinc/47/51/81/1013475181.db2.gz KTHZKXWAAPDUAA-VQTJNVASSA-N 1 0 412.578 3.575 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000025184480 964202155 /nfs/dbraw/zinc/20/21/55/964202155.db2.gz UUQIGJVAMMMBPB-UHFFFAOYSA-N 1 0 408.527 3.505 20 30 HHEDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000542532480 1013476000 /nfs/dbraw/zinc/47/60/00/1013476000.db2.gz QXCKEBNIYYYSPA-SUMWQHHRSA-N 1 0 403.548 3.537 20 30 HHEDRO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000026225282 964492903 /nfs/dbraw/zinc/49/29/03/964492903.db2.gz ZBOMCIFXULYRNT-UHFFFAOYSA-N 1 0 402.292 3.790 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc(OC)c1OC ZINC000051239079 964502699 /nfs/dbraw/zinc/50/26/99/964502699.db2.gz UKYVKVZMVCSCMJ-LJQANCHMSA-N 1 0 413.518 3.662 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc(OC)c1OC ZINC000051269852 964514078 /nfs/dbraw/zinc/51/40/78/964514078.db2.gz ITPYAVSFFWBRIO-GOSISDBHSA-N 1 0 403.548 3.596 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297894 964517773 /nfs/dbraw/zinc/51/77/73/964517773.db2.gz GMWABOFJOTZXTM-HXUWFJFHSA-N 1 0 404.558 3.689 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)[C@@H]2CCCC2(C)C)CC1 ZINC000553669201 1013535397 /nfs/dbraw/zinc/53/53/97/1013535397.db2.gz NEIJPTKMGZHOJB-JOCHJYFZSA-N 1 0 411.590 3.751 20 30 HHEDRO CCC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)Cc1ccc(C#N)cc1 ZINC000052826021 964994586 /nfs/dbraw/zinc/99/45/86/964994586.db2.gz WLTJNBHNFHFLPO-SFHVURJKSA-N 1 0 409.530 3.973 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000052993704 965036203 /nfs/dbraw/zinc/03/62/03/965036203.db2.gz GNRGTUZAQWICOB-GOSISDBHSA-N 1 0 411.889 3.972 20 30 HHEDRO Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)n1 ZINC000053288612 965121548 /nfs/dbraw/zinc/12/15/48/965121548.db2.gz HKAJODHPKMOVTI-UHFFFAOYSA-N 1 0 408.571 3.705 20 30 HHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)c1C ZINC000028778633 965179636 /nfs/dbraw/zinc/17/96/36/965179636.db2.gz YOEXLLFROUPOPT-UHFFFAOYSA-O 1 0 406.531 3.850 20 30 HHEDRO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961850 965227032 /nfs/dbraw/zinc/22/70/32/965227032.db2.gz MXDKJCAGSCJJLU-DEOSSOPVSA-N 1 0 404.558 3.676 20 30 HHEDRO Cn1nc(CCC[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1-c1ccc(F)cc1 ZINC000054392940 965500913 /nfs/dbraw/zinc/50/09/13/965500913.db2.gz LWIIQDVEEGOFKS-UHFFFAOYSA-N 1 0 405.477 3.601 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(C#N)c(C)c1C ZINC000057924080 965583839 /nfs/dbraw/zinc/58/38/39/965583839.db2.gz XHKZPGWRHWJEKZ-OAQYLSRUSA-N 1 0 408.571 3.924 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000058580536 965793045 /nfs/dbraw/zinc/79/30/45/965793045.db2.gz FDLGYAPWLDWTMM-HSZRJFAPSA-N 1 0 401.510 3.663 20 30 HHEDRO N#Cc1cccc(C[NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000030904548 965828645 /nfs/dbraw/zinc/82/86/45/965828645.db2.gz VKVXVXNULUHKJO-UHFFFAOYSA-N 1 0 402.464 3.879 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000055388340 965837818 /nfs/dbraw/zinc/83/78/18/965837818.db2.gz XBTDPCZDGLSPBH-UHFFFAOYSA-N 1 0 416.481 3.608 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1OC ZINC000553790167 1013617207 /nfs/dbraw/zinc/61/72/07/1013617207.db2.gz NYOYPFBOYULNDR-UHFFFAOYSA-N 1 0 418.331 3.642 20 30 HHEDRO Cc1ccc(-c2nnc(CON=C(N)c3ccccc3C[NH+]3CCCCC3)o2)cc1 ZINC000060367975 966116023 /nfs/dbraw/zinc/11/60/23/966116023.db2.gz JVOOFBCSQUHDFC-UHFFFAOYSA-N 1 0 405.502 3.868 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cc(Cl)ccc1Cl ZINC000060575926 966212364 /nfs/dbraw/zinc/21/23/64/966212364.db2.gz QQTPHOBKEDAHHS-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO C=CCOc1ccc(CNC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000553822535 1013637861 /nfs/dbraw/zinc/63/78/61/1013637861.db2.gz VALCFGYNXRHVAL-UHFFFAOYSA-N 1 0 409.530 3.724 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032830832 966333264 /nfs/dbraw/zinc/33/32/64/966333264.db2.gz NOIWXIICFBCAGB-QFQXNSOFSA-N 1 0 418.585 3.837 20 30 HHEDRO N#CC1(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCCCC1 ZINC000032830826 966333313 /nfs/dbraw/zinc/33/33/13/966333313.db2.gz NEHDGCRQPNIBNL-UHFFFAOYSA-N 1 0 416.569 3.736 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1OC ZINC000060950048 966334214 /nfs/dbraw/zinc/33/42/14/966334214.db2.gz PQYKINBBNILWJY-INIZCTEOSA-N 1 0 404.532 3.872 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000056757880 966448878 /nfs/dbraw/zinc/44/88/78/966448878.db2.gz NFUUCBGUUMHCIB-UHFFFAOYSA-N 1 0 410.562 3.983 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400175 966557262 /nfs/dbraw/zinc/55/72/62/966557262.db2.gz HAIVQVVKFITILR-IBGZPJMESA-N 1 0 413.905 3.552 20 30 HHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000062156222 966619873 /nfs/dbraw/zinc/61/98/73/966619873.db2.gz GNKPLEPIDSECCI-LJQANCHMSA-N 1 0 423.582 3.715 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)C(C)C ZINC000062486889 966689264 /nfs/dbraw/zinc/68/92/64/966689264.db2.gz VYJBCLKGVFFEQD-QFIPXVFZSA-N 1 0 418.626 3.556 20 30 HHEDRO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000042133893 966728610 /nfs/dbraw/zinc/72/86/10/966728610.db2.gz LCZTVJYOXPJKAW-FQEVSTJZSA-N 1 0 412.578 3.567 20 30 HHEDRO COc1ccc(CC[C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000062932589 966745135 /nfs/dbraw/zinc/74/51/35/966745135.db2.gz LTFDRZHLYNPBJC-HXUWFJFHSA-N 1 0 420.557 3.805 20 30 HHEDRO CSc1cccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000042643469 966818977 /nfs/dbraw/zinc/81/89/77/966818977.db2.gz JVCWDQNPPPTQKH-SFHVURJKSA-N 1 0 408.571 3.815 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000063331239 966823206 /nfs/dbraw/zinc/82/32/06/966823206.db2.gz OXTLTBFLWDKPRP-UHFFFAOYSA-N 1 0 406.530 3.620 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC000043851364 967053716 /nfs/dbraw/zinc/05/37/16/967053716.db2.gz DLJPEWMTWXLJEB-UHFFFAOYSA-N 1 0 414.412 3.620 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)cc1 ZINC000044102274 967124163 /nfs/dbraw/zinc/12/41/63/967124163.db2.gz XOCXJCRGUUNVIT-UHFFFAOYSA-N 1 0 417.513 3.647 20 30 HHEDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1OCCCC#N ZINC000064614435 967249647 /nfs/dbraw/zinc/24/96/47/967249647.db2.gz KHDFMSMRWXCWLW-UHFFFAOYSA-N 1 0 407.514 3.772 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)ccc1OCc1ccccc1 ZINC000538154307 1013714934 /nfs/dbraw/zinc/71/49/34/1013714934.db2.gz CRIFCSBDWQMVAU-BXKMTCNYSA-N 1 0 407.514 3.733 20 30 HHEDRO C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000065510857 967499109 /nfs/dbraw/zinc/49/91/09/967499109.db2.gz QHDCFHHTXZMWDM-QFIPXVFZSA-N 1 0 420.582 3.566 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](C4CCCC4)CC3)sc2C1 ZINC000045768745 967549358 /nfs/dbraw/zinc/54/93/58/967549358.db2.gz POKOCTNWJPRCAD-INIZCTEOSA-N 1 0 400.592 3.633 20 30 HHEDRO COc1cc(C#N)ccc1CN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000538180077 1013739153 /nfs/dbraw/zinc/73/91/53/1013739153.db2.gz LELNZRQIPSZRDS-GFCCVEGCSA-N 1 0 403.276 3.951 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000538193419 1013750609 /nfs/dbraw/zinc/75/06/09/1013750609.db2.gz CGANNDCNKHSORX-QHCPKHFHSA-N 1 0 411.590 3.925 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc(Cl)s3)CC2)cc1 ZINC000047144245 968067693 /nfs/dbraw/zinc/06/76/93/968067693.db2.gz KEGMAFNKHFZLEF-UHFFFAOYSA-N 1 0 402.951 3.733 20 30 HHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1)C[C@@H]1CCCCO1 ZINC000538219723 1013771109 /nfs/dbraw/zinc/77/11/09/1013771109.db2.gz UDYRHFMFKOICCI-QFIPXVFZSA-N 1 0 421.545 3.783 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(-n4cccn4)c(F)c3)CC2)cc1 ZINC000047767899 968306533 /nfs/dbraw/zinc/30/65/33/968306533.db2.gz YILLIOOVRBJWIJ-UHFFFAOYSA-N 1 0 418.476 3.623 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccccc1 ZINC000538259397 1013801600 /nfs/dbraw/zinc/80/16/00/1013801600.db2.gz GMPGHBYOKAXTIZ-VXKWHMMOSA-N 1 0 418.603 3.632 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000048126081 968443436 /nfs/dbraw/zinc/44/34/36/968443436.db2.gz GDTAMIHTBKXZEM-QGZVFWFLSA-N 1 0 405.502 3.806 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000065930795 968720762 /nfs/dbraw/zinc/72/07/62/968720762.db2.gz AOGBZKILMTYUIT-UHFFFAOYSA-N 1 0 405.420 3.703 20 30 HHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc(OC)c1OC ZINC000065938626 968729232 /nfs/dbraw/zinc/72/92/32/968729232.db2.gz GUMZVIHYWRJYPJ-UHFFFAOYSA-N 1 0 418.484 3.915 20 30 HHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cc(OC)c1OC ZINC000065939913 968730347 /nfs/dbraw/zinc/73/03/47/968730347.db2.gz GRTIBDKAFNDOKM-UHFFFAOYSA-N 1 0 400.494 3.775 20 30 HHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(OC)c1 ZINC000071972295 968916585 /nfs/dbraw/zinc/91/65/85/968916585.db2.gz RKZZSIKBJFQJMX-FQEVSTJZSA-N 1 0 421.950 3.582 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000097059819 969086711 /nfs/dbraw/zinc/08/67/11/969086711.db2.gz NEPKZGAZLNSJIO-KRWDZBQOSA-N 1 0 409.559 3.574 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C1CCOCC1 ZINC000538325037 1013850743 /nfs/dbraw/zinc/85/07/43/1013850743.db2.gz MULQJHRULPBPHB-JOCHJYFZSA-N 1 0 408.546 3.758 20 30 HHEDRO C[C@H](SCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000097404353 969133241 /nfs/dbraw/zinc/13/32/41/969133241.db2.gz DQQLIDHTBFFLMI-KRWDZBQOSA-N 1 0 421.570 3.819 20 30 HHEDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)cc1 ZINC000097494650 969147466 /nfs/dbraw/zinc/14/74/66/969147466.db2.gz QSGRZKNOTATJRE-OAQYLSRUSA-N 1 0 420.557 3.851 20 30 HHEDRO COc1cccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)c1 ZINC000554234289 1013865372 /nfs/dbraw/zinc/86/53/72/1013865372.db2.gz VBCYUKJVQQBGSB-QFIPXVFZSA-N 1 0 404.514 3.692 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000109805558 969568638 /nfs/dbraw/zinc/56/86/38/969568638.db2.gz SGPBQUBLQIBBBS-SFHVURJKSA-N 1 0 414.550 3.558 20 30 HHEDRO COc1cc(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1OC ZINC000110478849 969675972 /nfs/dbraw/zinc/67/59/72/969675972.db2.gz PXPVFVVVIFEXSE-UHFFFAOYSA-N 1 0 411.502 3.823 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000110945818 969745216 /nfs/dbraw/zinc/74/52/16/969745216.db2.gz SVWZDIKWQYFAJF-OAQYLSRUSA-N 1 0 422.529 3.650 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000110982729 969753634 /nfs/dbraw/zinc/75/36/34/969753634.db2.gz RFFNDPDRRSWINX-IBGZPJMESA-N 1 0 406.530 3.807 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000110982735 969753724 /nfs/dbraw/zinc/75/37/24/969753724.db2.gz XIJSWTMUQDFUGR-INIZCTEOSA-N 1 0 411.502 3.996 20 30 HHEDRO Cc1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)n1 ZINC000110985511 969754393 /nfs/dbraw/zinc/75/43/93/969754393.db2.gz OIJSRYDWLOEWDD-HIFRSBDPSA-N 1 0 413.547 3.644 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110987889 969754709 /nfs/dbraw/zinc/75/47/09/969754709.db2.gz BBHURZPFJAHDRT-GOSISDBHSA-N 1 0 419.460 3.956 20 30 HHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111039755 969764663 /nfs/dbraw/zinc/76/46/63/969764663.db2.gz NQBPOMRYTZIPEY-MRXNPFEDSA-N 1 0 405.477 3.979 20 30 HHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCCC#N ZINC000111226776 969810987 /nfs/dbraw/zinc/81/09/87/969810987.db2.gz VIDVLZUOXQQPEL-UHFFFAOYSA-N 1 0 406.379 3.771 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)c1C#N ZINC000116104868 969873145 /nfs/dbraw/zinc/87/31/45/969873145.db2.gz ZARMFIALLOQDSO-UHFFFAOYSA-N 1 0 423.561 3.507 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3C[C@H]2CCCO2)cc1 ZINC000195674224 969947764 /nfs/dbraw/zinc/94/77/64/969947764.db2.gz FVDRVSBCQXCCIZ-OAQYLSRUSA-N 1 0 416.525 3.597 20 30 HHEDRO CCCCNC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000132976179 969973761 /nfs/dbraw/zinc/97/37/61/969973761.db2.gz NWMKNKWYXPVLDK-UHFFFAOYSA-O 1 0 400.568 3.686 20 30 HHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000195732471 969988522 /nfs/dbraw/zinc/98/85/22/969988522.db2.gz CEXOCWJUQFHMOR-UHFFFAOYSA-N 1 0 415.541 3.888 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2CCCCC2)cc1OC ZINC000195733019 969989630 /nfs/dbraw/zinc/98/96/30/969989630.db2.gz JHIQIGULBPHSRY-HSZRJFAPSA-N 1 0 401.551 3.893 20 30 HHEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 ZINC000236818916 970176507 /nfs/dbraw/zinc/17/65/07/970176507.db2.gz FZKQWTZMTHWDRL-UHFFFAOYSA-N 1 0 403.523 3.724 20 30 HHEDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000236934134 970190899 /nfs/dbraw/zinc/19/08/99/970190899.db2.gz RXZMWMCENKVDIQ-UHFFFAOYSA-N 1 0 407.562 3.981 20 30 HHEDRO CCOc1ccc(NC(=O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000237050776 970215003 /nfs/dbraw/zinc/21/50/03/970215003.db2.gz MNIKMSWAYJMGDR-UHFFFAOYSA-N 1 0 403.486 3.591 20 30 HHEDRO C=CCOc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)cc1 ZINC000554478514 1013963566 /nfs/dbraw/zinc/96/35/66/1013963566.db2.gz KJMZTQBJELAXKI-UHFFFAOYSA-N 1 0 424.545 3.724 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000145697346 970269218 /nfs/dbraw/zinc/26/92/18/970269218.db2.gz HCNHHGRYDZTQEE-UHFFFAOYSA-N 1 0 409.505 3.617 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000237403344 970278388 /nfs/dbraw/zinc/27/83/88/970278388.db2.gz UYEJBMJPUMXOGS-UHFFFAOYSA-N 1 0 421.497 3.883 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc(OC)c1O ZINC000237430472 970284682 /nfs/dbraw/zinc/28/46/82/970284682.db2.gz WFDGUTLBYCUUOB-OAQYLSRUSA-N 1 0 416.949 3.946 20 30 HHEDRO Cn1c(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)nc2cc(F)ccc21 ZINC000237853202 970380789 /nfs/dbraw/zinc/38/07/89/970380789.db2.gz OWJAMOLYTWYRMW-UHFFFAOYSA-N 1 0 402.477 3.822 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)c(-c2ccccc2)n1 ZINC000237994681 970413927 /nfs/dbraw/zinc/41/39/27/970413927.db2.gz MJLIZJZOERCHBN-UHFFFAOYSA-N 1 0 413.525 3.876 20 30 HHEDRO Cc1ccc([C@H](C)NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000248171967 970517934 /nfs/dbraw/zinc/51/79/34/970517934.db2.gz XCAMZMUAIPCLAV-NRFANRHFSA-N 1 0 404.558 3.560 20 30 HHEDRO Cc1nc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C#N)c(C)c1C ZINC000253479947 970562853 /nfs/dbraw/zinc/56/28/53/970562853.db2.gz UAKMFHRRNLQWIG-UHFFFAOYSA-N 1 0 408.571 3.883 20 30 HHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)C2CCC(O)CC2)c1 ZINC000261441684 970684252 /nfs/dbraw/zinc/68/42/52/970684252.db2.gz QBRCAIQMRRDCKE-UHFFFAOYSA-N 1 0 407.514 3.701 20 30 HHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@@H]1C ZINC000554738594 1014035309 /nfs/dbraw/zinc/03/53/09/1014035309.db2.gz PDZNRHIPAYOBKH-IRXDYDNUSA-N 1 0 402.970 3.759 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccnc(OCC(F)(F)F)c1 ZINC000304484507 972601439 /nfs/dbraw/zinc/60/14/39/972601439.db2.gz KQRRSDLUGMKPFJ-UHFFFAOYSA-N 1 0 422.329 3.526 20 30 HHEDRO C[C@H](NC(=[NH2+])NCCCN1c2ccccc2OCC1=O)c1ccc(Cl)cc1Cl ZINC000304750110 972603966 /nfs/dbraw/zinc/60/39/66/972603966.db2.gz IDWPTJVVDWHDJO-ZDUSSCGKSA-N 1 0 421.328 3.774 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1ccccc1CS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000304760675 972605474 /nfs/dbraw/zinc/60/54/74/972605474.db2.gz SUPMCTADQCIMQS-GFCCVEGCSA-N 1 0 414.358 3.704 20 30 HHEDRO CCc1cccc(NC(=[NH2+])NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)c1 ZINC000304795361 972607190 /nfs/dbraw/zinc/60/71/90/972607190.db2.gz MHJJPJUZVJZJFO-UHFFFAOYSA-N 1 0 401.518 3.556 20 30 HHEDRO [NH2+]=C(NCCc1ccn(-c2ccc(F)cc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304802294 972607206 /nfs/dbraw/zinc/60/72/06/972607206.db2.gz PLRQZEDDJSBJEV-UHFFFAOYSA-N 1 0 407.371 3.879 20 30 HHEDRO [NH2+]=C(NCc1ccc(O)c(Br)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305062721 972608650 /nfs/dbraw/zinc/60/86/50/972608650.db2.gz HAPMMLMHJBTNKW-UHFFFAOYSA-N 1 0 404.186 3.980 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCC(C)(C)c2ccccc2Br)cc1OC ZINC000305196538 972610387 /nfs/dbraw/zinc/61/03/87/972610387.db2.gz LKFLSHLSGBNUIU-UHFFFAOYSA-N 1 0 420.351 3.848 20 30 HHEDRO [NH2+]=C(NCCc1ccn(-c2ccc(F)cc2)n1)Nc1ccccc1OC(F)(F)F ZINC000305237620 972611338 /nfs/dbraw/zinc/61/13/38/972611338.db2.gz OJUKPBSHBJFEQU-UHFFFAOYSA-N 1 0 407.371 3.879 20 30 HHEDRO COc1cc(OC)c(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(OC)c1 ZINC000305217466 972611754 /nfs/dbraw/zinc/61/17/54/972611754.db2.gz IOWMUUPJIFAFAD-UHFFFAOYSA-N 1 0 413.396 3.580 20 30 HHEDRO C[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)no1 ZINC000305632452 972613613 /nfs/dbraw/zinc/61/36/13/972613613.db2.gz GGKGVDVKMJBFJK-ZDUSSCGKSA-N 1 0 419.407 3.843 20 30 HHEDRO CC(C)(C)OC(=O)N[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000305750838 972615048 /nfs/dbraw/zinc/61/50/48/972615048.db2.gz RLXYZARESHMRJO-AWEZNQCLSA-N 1 0 402.417 3.615 20 30 HHEDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379703627 972772365 /nfs/dbraw/zinc/77/23/65/972772365.db2.gz FYXSSCKRLLLQIA-MAUKXSAKSA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NC1(C#N)CCCCC1 ZINC000409874140 973340499 /nfs/dbraw/zinc/34/04/99/973340499.db2.gz KBMYQQRQQZHBDW-CJNGLKHVSA-N 1 0 406.324 3.593 20 30 HHEDRO N#Cc1cccc(NCC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000425959575 974064162 /nfs/dbraw/zinc/06/41/62/974064162.db2.gz SQEDPQBMPOPCSQ-UHFFFAOYSA-N 1 0 403.511 3.624 20 30 HHEDRO CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425968680 974073524 /nfs/dbraw/zinc/07/35/24/974073524.db2.gz VBPISBWKRXGYNL-QFIPXVFZSA-N 1 0 402.460 3.626 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2)cc1 ZINC000426107768 974231841 /nfs/dbraw/zinc/23/18/41/974231841.db2.gz BHMQDKMKWZYYDO-XZOQPEGZSA-N 1 0 420.513 3.850 20 30 HHEDRO N#Cc1ccc(NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000426125600 974248470 /nfs/dbraw/zinc/24/84/70/974248470.db2.gz BFHHDGLOHALTKB-UHFFFAOYSA-N 1 0 411.937 3.541 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000427094086 974898166 /nfs/dbraw/zinc/89/81/66/974898166.db2.gz PCXKCYFZUKZBRR-BJKOFHAPSA-N 1 0 403.526 3.723 20 30 HHEDRO CC[N@H+](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)CCC(F)(F)F ZINC000427287864 975025946 /nfs/dbraw/zinc/02/59/46/975025946.db2.gz MUOPCGGEPSFXIS-UHFFFAOYSA-N 1 0 406.408 3.750 20 30 HHEDRO C=CC[N@@H+](C)Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC)c(OC)c1 ZINC000428382784 975704332 /nfs/dbraw/zinc/70/43/32/975704332.db2.gz SGPPRZQFGUXCFO-UHFFFAOYSA-N 1 0 404.894 3.993 20 30 HHEDRO Cn1cc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000428547525 975854274 /nfs/dbraw/zinc/85/42/74/975854274.db2.gz PGCGEHOCDXRLCM-QHCPKHFHSA-N 1 0 417.582 3.666 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1OC ZINC000428552124 975861821 /nfs/dbraw/zinc/86/18/21/975861821.db2.gz UNWZVSGDCRANJZ-OAHLLOKOSA-N 1 0 404.304 3.985 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000428789968 976065104 /nfs/dbraw/zinc/06/51/04/976065104.db2.gz PRAOIQKUKZQAPP-RDTXWAMCSA-N 1 0 423.376 3.737 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428995653 976276248 /nfs/dbraw/zinc/27/62/48/976276248.db2.gz CTOSQEVECSNMJL-WOCWXWTJSA-N 1 0 414.619 3.878 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429004023 976284269 /nfs/dbraw/zinc/28/42/69/976284269.db2.gz QHVRNWRKPFYSLK-DEOSSOPVSA-N 1 0 420.557 3.771 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C#N ZINC000429014326 976295502 /nfs/dbraw/zinc/29/55/02/976295502.db2.gz YDYBZDPDLDFMDZ-PNLZDCPESA-N 1 0 411.594 3.692 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429036523 976320341 /nfs/dbraw/zinc/32/03/41/976320341.db2.gz SVEGBTIZIGWNSV-QFIPXVFZSA-N 1 0 406.530 3.900 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@@H+](C4CCC4)C[C@H](C)C3)sc2C1 ZINC000429383554 976656471 /nfs/dbraw/zinc/65/64/71/976656471.db2.gz RADNMCIDPWHQFJ-IAGOWNOFSA-N 1 0 414.619 3.879 20 30 HHEDRO N#CCCn1ncc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1-c1ccccc1 ZINC000429729153 977019442 /nfs/dbraw/zinc/01/94/42/977019442.db2.gz YRXBQXUCCKNLEN-UHFFFAOYSA-N 1 0 413.525 3.990 20 30 HHEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429792826 977071675 /nfs/dbraw/zinc/07/16/75/977071675.db2.gz VCMYMJNLNJLTQY-CTNGQTDRSA-N 1 0 420.960 3.935 20 30 HHEDRO C=CCn1c(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1-c1ccncc1 ZINC000430097765 977317792 /nfs/dbraw/zinc/31/77/92/977317792.db2.gz BZYQYVOJFUMMGG-OAQYLSRUSA-N 1 0 421.570 3.909 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)nc1 ZINC000430171335 977366761 /nfs/dbraw/zinc/36/67/61/977366761.db2.gz SRGLTXBCAFBGED-SFHVURJKSA-N 1 0 413.403 3.811 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000430270288 977434662 /nfs/dbraw/zinc/43/46/62/977434662.db2.gz UTVQTCZZRDBBLE-CIEVZJJWSA-N 1 0 413.562 3.597 20 30 HHEDRO CN(C(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1)c1ccccc1 ZINC000430306698 977465898 /nfs/dbraw/zinc/46/58/98/977465898.db2.gz RACMWUANYFAJKG-QGZVFWFLSA-N 1 0 410.905 3.525 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000430588947 977646311 /nfs/dbraw/zinc/64/63/11/977646311.db2.gz BIRZNWZDOWETBU-HXUWFJFHSA-N 1 0 422.554 3.721 20 30 HHEDRO C=CCn1c(C)cc(C(=O)CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000430924044 977891258 /nfs/dbraw/zinc/89/12/58/977891258.db2.gz HPEKAMXTQNNMDH-UHFFFAOYSA-N 1 0 414.638 3.602 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431071401 978002795 /nfs/dbraw/zinc/00/27/95/978002795.db2.gz PHEPFJZLISAPQV-RPWUZVMVSA-N 1 0 417.553 3.613 20 30 HHEDRO Cc1noc(C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)n1 ZINC000431179892 978079163 /nfs/dbraw/zinc/07/91/63/978079163.db2.gz NMCUAEDKWAYYKZ-YJYMSZOUSA-N 1 0 409.877 3.804 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](Oc4ccncc4)C3)sc2C1 ZINC000431610384 978383021 /nfs/dbraw/zinc/38/30/21/978383021.db2.gz PXSRRPKXSLUTLK-WBVHZDCISA-N 1 0 410.543 3.621 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+]([C@H](C)c3ccncc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000432032247 978653986 /nfs/dbraw/zinc/65/39/86/978653986.db2.gz LUQZVDRLQQBQIG-AUSIDOKSSA-N 1 0 418.541 3.669 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000432092519 978676822 /nfs/dbraw/zinc/67/68/22/978676822.db2.gz IMIAUVDBUDYCAG-INIZCTEOSA-N 1 0 411.531 3.696 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)N2CCC(C#N)(COC)CC2)[NH+](CC)CC)cc1 ZINC000432451406 978819536 /nfs/dbraw/zinc/81/95/36/978819536.db2.gz SQFYTYQNMWHIKZ-NRFANRHFSA-N 1 0 400.567 3.594 20 30 HHEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000433022197 979044716 /nfs/dbraw/zinc/04/47/16/979044716.db2.gz JGQREPSOCQHMNH-QHCPKHFHSA-N 1 0 418.541 3.888 20 30 HHEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433066138 979056661 /nfs/dbraw/zinc/05/66/61/979056661.db2.gz GCLSOQWCOMNVEN-RTWAWAEBSA-N 1 0 404.470 3.580 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H](O)Cc1ccccc1 ZINC000433072790 979058600 /nfs/dbraw/zinc/05/86/00/979058600.db2.gz QAPSZFXWFZOVPW-SFHVURJKSA-N 1 0 411.571 3.753 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433172481 979116413 /nfs/dbraw/zinc/11/64/13/979116413.db2.gz COOQPGMEWZSRDK-UHFFFAOYSA-N 1 0 401.514 3.505 20 30 HHEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1c(F)cccc1F ZINC000433321197 979235404 /nfs/dbraw/zinc/23/54/04/979235404.db2.gz UNXVEXXRLWPXEL-HXUWFJFHSA-N 1 0 410.472 3.529 20 30 HHEDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433327074 979239147 /nfs/dbraw/zinc/23/91/47/979239147.db2.gz QTOKKABQWWEWCC-UHFFFAOYSA-N 1 0 422.920 3.939 20 30 HHEDRO CC(C)(CO)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000433332075 979242472 /nfs/dbraw/zinc/24/24/72/979242472.db2.gz RQYYGCVOQVDQTC-QFIPXVFZSA-N 1 0 403.530 3.751 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)c(-c2ccncc2)n1 ZINC000433338973 979247811 /nfs/dbraw/zinc/24/78/11/979247811.db2.gz YJQZCSUJCSNODD-UHFFFAOYSA-N 1 0 420.948 3.660 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000433477850 979326731 /nfs/dbraw/zinc/32/67/31/979326731.db2.gz OMNJTEFHVUILBY-UHFFFAOYSA-N 1 0 400.567 3.615 20 30 HHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434872688 980460344 /nfs/dbraw/zinc/46/03/44/980460344.db2.gz DNRVNUUQJAWTCM-RDTXWAMCSA-N 1 0 401.557 3.814 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000435002897 980562627 /nfs/dbraw/zinc/56/26/27/980562627.db2.gz ADLAIKJFHHFXSB-HXUWFJFHSA-N 1 0 409.486 3.604 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1)CC(F)(F)F ZINC000435129835 980660359 /nfs/dbraw/zinc/66/03/59/980660359.db2.gz OLEMBHZJRMQFAY-KRWDZBQOSA-N 1 0 420.483 3.565 20 30 HHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCN(Cc2ccccc2)CC1 ZINC000435135278 980666549 /nfs/dbraw/zinc/66/65/49/980666549.db2.gz NYZVGBYOCQANBO-UHFFFAOYSA-N 1 0 414.557 3.955 20 30 HHEDRO N#CCCn1cc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)c(-c2ccncc2)n1 ZINC000435136698 980667983 /nfs/dbraw/zinc/66/79/83/980667983.db2.gz GHYQNDQMAAXOEW-UHFFFAOYSA-N 1 0 409.921 3.897 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C(F)(F)F ZINC000435157854 980686563 /nfs/dbraw/zinc/68/65/63/980686563.db2.gz PGIXILIEWMEAON-UHFFFAOYSA-N 1 0 423.460 3.651 20 30 HHEDRO CC(C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000435420730 980854069 /nfs/dbraw/zinc/85/40/69/980854069.db2.gz FRTMAOYDJYVBKF-HSZRJFAPSA-N 1 0 405.546 3.610 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1C#N ZINC000435555479 980939448 /nfs/dbraw/zinc/93/94/48/980939448.db2.gz YEJHNOPPCDDGBC-UHFFFAOYSA-N 1 0 400.523 3.502 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1OCC ZINC000435749246 981014641 /nfs/dbraw/zinc/01/46/41/981014641.db2.gz IRYZAWDYSZGYFJ-XMMPIXPASA-N 1 0 416.381 3.803 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000436060852 981183106 /nfs/dbraw/zinc/18/31/06/981183106.db2.gz GOCPVWJIZPCDJM-QFIPXVFZSA-N 1 0 403.526 3.942 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](Cc1ccccc1F)C(C)=O ZINC000436181545 981238300 /nfs/dbraw/zinc/23/83/00/981238300.db2.gz DZXQEUFUDPMJTB-HXUWFJFHSA-N 1 0 416.566 3.924 20 30 HHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000437105314 981763363 /nfs/dbraw/zinc/76/33/63/981763363.db2.gz ITFKHWIKZOXTJP-LTKAXEJJSA-N 1 0 420.557 3.695 20 30 HHEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000437246143 981904853 /nfs/dbraw/zinc/90/48/53/981904853.db2.gz UXCOCOKQENKABX-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000460134111 981908630 /nfs/dbraw/zinc/90/86/30/981908630.db2.gz MGQSBJRQQDHBAD-JOCHJYFZSA-N 1 0 406.530 3.731 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000460353954 982127282 /nfs/dbraw/zinc/12/72/82/982127282.db2.gz HZPABFCFDPZXMZ-CYGODWOOSA-N 1 0 401.514 3.854 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000460353955 982127556 /nfs/dbraw/zinc/12/75/56/982127556.db2.gz HZPABFCFDPZXMZ-QZTJIDSGSA-N 1 0 401.514 3.854 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460376929 982154733 /nfs/dbraw/zinc/15/47/33/982154733.db2.gz WBITUXJJLIOIQD-LJQANCHMSA-N 1 0 409.578 3.773 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC000460388279 982167437 /nfs/dbraw/zinc/16/74/37/982167437.db2.gz PVZCLONAJYNGJQ-GGAORHGYSA-N 1 0 420.605 3.598 20 30 HHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460441439 982232325 /nfs/dbraw/zinc/23/23/25/982232325.db2.gz WTNMAHAELKLLSN-QHCPKHFHSA-N 1 0 412.541 3.732 20 30 HHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)CC2(C#N)CCCCC2)c2cccs2)CC1 ZINC000460476634 982269402 /nfs/dbraw/zinc/26/94/02/982269402.db2.gz PQWXXJDSHHUXDC-GOSISDBHSA-N 1 0 409.621 3.915 20 30 HHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460546382 982333159 /nfs/dbraw/zinc/33/31/59/982333159.db2.gz KSTQVLWDTPEVEY-HSZRJFAPSA-N 1 0 423.605 3.578 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)c1 ZINC000437773601 982347548 /nfs/dbraw/zinc/34/75/48/982347548.db2.gz MHNWEWZFYVLGLR-WZONZLPQSA-N 1 0 419.525 3.819 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460580478 982364870 /nfs/dbraw/zinc/36/48/70/982364870.db2.gz WFSCKUQNFPIVQU-YOEHRIQHSA-N 1 0 421.387 3.778 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000437881591 982432406 /nfs/dbraw/zinc/43/24/06/982432406.db2.gz LIOSMAMPJYPTAX-IBGZPJMESA-N 1 0 406.530 3.731 20 30 HHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000437968809 982496042 /nfs/dbraw/zinc/49/60/42/982496042.db2.gz FUUGQAHFMZEQHO-NRFANRHFSA-N 1 0 402.498 3.924 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000437984726 982506054 /nfs/dbraw/zinc/50/60/54/982506054.db2.gz HYXNCSBMNAQCBU-MJGOQNOKSA-N 1 0 424.383 3.504 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460768309 982521687 /nfs/dbraw/zinc/52/16/87/982521687.db2.gz DXZCTMPBZNVZCY-FQEVSTJZSA-N 1 0 402.546 3.935 20 30 HHEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460774591 982527431 /nfs/dbraw/zinc/52/74/31/982527431.db2.gz NZMUPWTYKKZQJQ-FSSWDIPSSA-N 1 0 407.562 3.772 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460776149 982528689 /nfs/dbraw/zinc/52/86/89/982528689.db2.gz BUCZVWZCNPKGBR-SZPZYZBQSA-N 1 0 414.557 3.793 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460800379 982552749 /nfs/dbraw/zinc/55/27/49/982552749.db2.gz DJWQJRSJMGQJAW-RCZVLFRGSA-N 1 0 421.589 3.851 20 30 HHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460805000 982558247 /nfs/dbraw/zinc/55/82/47/982558247.db2.gz PMGXYZINUYNVRM-SFHVURJKSA-N 1 0 420.561 3.692 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460805722 982558731 /nfs/dbraw/zinc/55/87/31/982558731.db2.gz NFTCSNWESUOETO-WCIQWLHISA-N 1 0 403.615 3.939 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460806081 982559395 /nfs/dbraw/zinc/55/93/95/982559395.db2.gz OHRKYIBHNAJQJV-MSOLQXFVSA-N 1 0 401.530 3.881 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC000438163716 982625485 /nfs/dbraw/zinc/62/54/85/982625485.db2.gz VSHTZCGHQNSLQX-NRFANRHFSA-N 1 0 410.562 3.908 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460945249 982681529 /nfs/dbraw/zinc/68/15/29/982681529.db2.gz VBHHLRJPQHNKCI-PSWAGMNNSA-N 1 0 424.552 3.961 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460949339 982684025 /nfs/dbraw/zinc/68/40/25/982684025.db2.gz BVRYNVGSOJBNJI-HSZRJFAPSA-N 1 0 416.573 3.941 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460955156 982688308 /nfs/dbraw/zinc/68/83/08/982688308.db2.gz BJUHUEPYCDJIHZ-KRWDZBQOSA-N 1 0 403.477 3.796 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460956268 982689333 /nfs/dbraw/zinc/68/93/33/982689333.db2.gz FEJSLZFUWHCCBY-QZTJIDSGSA-N 1 0 413.566 3.847 20 30 HHEDRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO1 ZINC000461144749 982850196 /nfs/dbraw/zinc/85/01/96/982850196.db2.gz FIEJRBGZMPAIHB-DENIHFKCSA-N 1 0 422.577 3.555 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438655571 982973277 /nfs/dbraw/zinc/97/32/77/982973277.db2.gz MHPQNFYZKHKIIU-OXQOHEQNSA-N 1 0 424.932 3.834 20 30 HHEDRO CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438661790 982980130 /nfs/dbraw/zinc/98/01/30/982980130.db2.gz AQRIZXGVRNWLII-APWZRJJASA-N 1 0 424.932 3.834 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461424401 983087619 /nfs/dbraw/zinc/08/76/19/983087619.db2.gz GDTDTVZWSZDXDY-OYRHQHFDSA-N 1 0 417.553 3.942 20 30 HHEDRO Cc1cc(N2CCC([NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)n[nH]1 ZINC000438920994 983154336 /nfs/dbraw/zinc/15/43/36/983154336.db2.gz SOKUFRDVJBQDQJ-UHFFFAOYSA-N 1 0 401.514 3.927 20 30 HHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000439098183 983249223 /nfs/dbraw/zinc/24/92/23/983249223.db2.gz GSFKAQUODSQWGH-UHFFFAOYSA-N 1 0 412.415 3.725 20 30 HHEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000439429194 983405218 /nfs/dbraw/zinc/40/52/18/983405218.db2.gz HLCDPQPGECMNMU-LJQANCHMSA-N 1 0 419.294 3.864 20 30 HHEDRO N#CCC[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000439460355 983420290 /nfs/dbraw/zinc/42/02/90/983420290.db2.gz XQVVUCAWGZRECF-QHCPKHFHSA-N 1 0 418.541 3.815 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000439979407 983603224 /nfs/dbraw/zinc/60/32/24/983603224.db2.gz LZFHULSAAXIMTH-RNWQKYJXSA-N 1 0 410.562 3.681 20 30 HHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)c2ccccc2)CC1 ZINC000440052165 983626129 /nfs/dbraw/zinc/62/61/29/983626129.db2.gz OBFGCTCGHWUUDH-QFIPXVFZSA-N 1 0 415.534 3.590 20 30 HHEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000440064776 983630227 /nfs/dbraw/zinc/63/02/27/983630227.db2.gz SXGPEAOPLOQCKG-QFBILLFUSA-N 1 0 424.932 3.662 20 30 HHEDRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000440187954 983675679 /nfs/dbraw/zinc/67/56/79/983675679.db2.gz MKZQSTPOUISCKE-OAQYLSRUSA-N 1 0 412.509 3.628 20 30 HHEDRO CC[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Oc1cccc(F)c1 ZINC000440195004 983678290 /nfs/dbraw/zinc/67/82/90/983678290.db2.gz QXNJBIMXZKESGH-QFIPXVFZSA-N 1 0 424.520 3.772 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000440537822 983788205 /nfs/dbraw/zinc/78/82/05/983788205.db2.gz ZTVOHLDYIZCJOU-SFHVURJKSA-N 1 0 424.932 3.521 20 30 HHEDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000440723713 983869184 /nfs/dbraw/zinc/86/91/84/983869184.db2.gz DUILYOFEMCEFBK-KRWDZBQOSA-N 1 0 400.567 3.914 20 30 HHEDRO N#Cc1ccccc1N1CCCN(Cc2ccc(I)cc2)CC1 ZINC000441173956 984100847 /nfs/dbraw/zinc/10/08/47/984100847.db2.gz JDDQXZVHYPEKRG-UHFFFAOYSA-N 1 0 417.294 3.875 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441286762 984159714 /nfs/dbraw/zinc/15/97/14/984159714.db2.gz OVAOYVARRVPRQJ-SJORKVTESA-N 1 0 401.576 3.966 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1C#N ZINC000442001772 984588114 /nfs/dbraw/zinc/58/81/14/984588114.db2.gz LKICTSFDOCGRRQ-SFHVURJKSA-N 1 0 404.514 3.585 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[N@@H+]1C ZINC000442167986 984690140 /nfs/dbraw/zinc/69/01/40/984690140.db2.gz JMOOUHHXCQARNK-BPAFIMBUSA-N 1 0 424.932 3.533 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[NH+](C)C)c1 ZINC000442202651 984722544 /nfs/dbraw/zinc/72/25/44/984722544.db2.gz SXBRXCCFTJNKFX-QGZVFWFLSA-N 1 0 422.407 3.890 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000461727575 984742413 /nfs/dbraw/zinc/74/24/13/984742413.db2.gz GBAIIUCJXVLSMC-COPCDDAFSA-N 1 0 422.577 3.552 20 30 HHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)CC1 ZINC000461811698 984797519 /nfs/dbraw/zinc/79/75/19/984797519.db2.gz LVTRLRFBGBMBAQ-JOCHJYFZSA-N 1 0 422.577 3.696 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 ZINC000442300670 984798710 /nfs/dbraw/zinc/79/87/10/984798710.db2.gz YCFLNPYGRWUPFR-UHFFFAOYSA-N 1 0 404.514 3.520 20 30 HHEDRO C=CCC[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000442310307 984807913 /nfs/dbraw/zinc/80/79/13/984807913.db2.gz UYZVBOYAAPWMRS-SFHVURJKSA-N 1 0 413.484 3.811 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)[C@H](C)C1 ZINC000461838572 984844387 /nfs/dbraw/zinc/84/43/87/984844387.db2.gz ZPSVSHQRJVGLKM-COPCDDAFSA-N 1 0 422.577 3.552 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000462187492 985169584 /nfs/dbraw/zinc/16/95/84/985169584.db2.gz GISVYJCXKLIXHP-MBSDFSHPSA-N 1 0 415.493 3.981 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c(C)c1C ZINC000462191449 985173572 /nfs/dbraw/zinc/17/35/72/985173572.db2.gz SOCRBQDFMOXCRE-VFNWGFHPSA-N 1 0 408.571 3.607 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252686 985236494 /nfs/dbraw/zinc/23/64/94/985236494.db2.gz CJBRSTZKMOXECI-KBXCAEBGSA-N 1 0 400.429 3.802 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443090304 985369813 /nfs/dbraw/zinc/36/98/13/985369813.db2.gz BLARJQYSHAVFIH-UHFFFAOYSA-N 1 0 411.980 3.806 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443130681 985395169 /nfs/dbraw/zinc/39/51/69/985395169.db2.gz NQXFKHXTMQGPKC-UZLBHIALSA-N 1 0 417.962 3.885 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443491137 985665785 /nfs/dbraw/zinc/66/57/85/985665785.db2.gz POBCSRSGXOROOP-INIZCTEOSA-N 1 0 409.983 3.877 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)CC1 ZINC000468083633 985740799 /nfs/dbraw/zinc/74/07/99/985740799.db2.gz ZBKQNUTWAAXXCT-GOSISDBHSA-N 1 0 410.587 3.865 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443640047 985827536 /nfs/dbraw/zinc/82/75/36/985827536.db2.gz PYQRLWFCZYIYJO-SIBVEZHUSA-N 1 0 416.569 3.817 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccn(-c4c(F)cccc4F)n3)CC2)cc1 ZINC000443676662 985887407 /nfs/dbraw/zinc/88/74/07/985887407.db2.gz WSARFRXVKHZDTO-UHFFFAOYSA-N 1 0 407.468 3.730 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)on2)c1 ZINC000468242983 985940792 /nfs/dbraw/zinc/94/07/92/985940792.db2.gz REPAMJVCKVTMRF-UHFFFAOYSA-N 1 0 400.482 3.650 20 30 HHEDRO CC[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000468255576 985955844 /nfs/dbraw/zinc/95/58/44/985955844.db2.gz PIKKWLQYJZRRKG-OAQYLSRUSA-N 1 0 400.482 3.780 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+](C)C ZINC000443845576 986047879 /nfs/dbraw/zinc/04/78/79/986047879.db2.gz SGZMMJINGTXBIM-UTKZUKDTSA-N 1 0 424.570 3.747 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1 ZINC000443868000 986069003 /nfs/dbraw/zinc/06/90/03/986069003.db2.gz LESZPUUNMYUVCG-HSZRJFAPSA-N 1 0 419.525 3.986 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463120354 986085186 /nfs/dbraw/zinc/08/51/86/986085186.db2.gz PIVNAJAXGARRCR-UHFFFAOYSA-N 1 0 415.497 3.690 20 30 HHEDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000443902043 986099217 /nfs/dbraw/zinc/09/92/17/986099217.db2.gz QOPSEVMAQXLRBQ-GGAORHGYSA-N 1 0 409.555 3.542 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)[NH+](C)C)c1 ZINC000443916529 986118032 /nfs/dbraw/zinc/11/80/32/986118032.db2.gz MVDJTTJELPZTSQ-HSZRJFAPSA-N 1 0 404.514 3.986 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC000468479531 986175163 /nfs/dbraw/zinc/17/51/63/986175163.db2.gz OWPVAIZMPAPPIT-OAQYLSRUSA-N 1 0 407.562 3.931 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000463217739 986189231 /nfs/dbraw/zinc/18/92/31/986189231.db2.gz GEHQNPIVSFHNKG-GXRSIYKFSA-N 1 0 403.563 3.569 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CSCCN3Cc3ccccc3)CC2)cc1 ZINC000463241471 986209928 /nfs/dbraw/zinc/20/99/28/986209928.db2.gz BWUAVKDHNMCRKC-RUZDIDTESA-N 1 0 420.626 3.730 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000463252517 986220940 /nfs/dbraw/zinc/22/09/40/986220940.db2.gz OHSINXSDPPUDEN-HSZRJFAPSA-N 1 0 422.960 3.567 20 30 HHEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000463364241 986330486 /nfs/dbraw/zinc/33/04/86/986330486.db2.gz CTQGMLRGKHDICJ-OAHLLOKOSA-N 1 0 419.319 3.812 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444209095 986390962 /nfs/dbraw/zinc/39/09/62/986390962.db2.gz ZLYZQUSXMQEEAI-OALUTQOASA-N 1 0 400.592 3.685 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000444213094 986396198 /nfs/dbraw/zinc/39/61/98/986396198.db2.gz OUEYWHOSHZOSDO-KRWDZBQOSA-N 1 0 400.592 3.635 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@](CO)(c4ccccc4)C3)sc2C1 ZINC000463429436 986399847 /nfs/dbraw/zinc/39/98/47/986399847.db2.gz JLJJDGGSAMKOBW-OSPHWJPCSA-N 1 0 423.582 3.709 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000463509847 986486190 /nfs/dbraw/zinc/48/61/90/986486190.db2.gz STODGRUEDNSALZ-UHFFFAOYSA-N 1 0 424.541 3.911 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000468841124 986551512 /nfs/dbraw/zinc/55/15/12/986551512.db2.gz DALQOUPEFFXXPN-CQSZACIVSA-N 1 0 410.345 3.582 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444455014 986637284 /nfs/dbraw/zinc/63/72/84/986637284.db2.gz RDFAJOVIAMRIPS-HSZRJFAPSA-N 1 0 407.514 3.557 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000463691390 986674396 /nfs/dbraw/zinc/67/43/96/986674396.db2.gz RBDRVVRQPNWYQO-LADGPHEKSA-N 1 0 422.525 3.976 20 30 HHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469009704 986715319 /nfs/dbraw/zinc/71/53/19/986715319.db2.gz OJVBLQNECLRKCY-MSOLQXFVSA-N 1 0 407.514 3.876 20 30 HHEDRO CC(C)(C#N)CCCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000444589754 986776715 /nfs/dbraw/zinc/77/67/15/986776715.db2.gz KNTILQATLSRVRR-UHFFFAOYSA-N 1 0 410.484 3.982 20 30 HHEDRO N#Cc1ccc(N2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000444597563 986784131 /nfs/dbraw/zinc/78/41/31/986784131.db2.gz RXLYFKOJOGALPO-UHFFFAOYSA-N 1 0 407.521 3.975 20 30 HHEDRO N#C[C@H](c1ccc(Br)cc1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444605024 986792489 /nfs/dbraw/zinc/79/24/89/986792489.db2.gz CNZVLTXHZPIKCP-HXUWFJFHSA-N 1 0 405.384 3.507 20 30 HHEDRO Cc1nc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)sc1SCC#N ZINC000469087277 986799680 /nfs/dbraw/zinc/79/96/80/986799680.db2.gz QRJWJMWIMNVZAO-UHFFFAOYSA-N 1 0 415.588 3.526 20 30 HHEDRO Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000469157319 986881282 /nfs/dbraw/zinc/88/12/82/986881282.db2.gz YARUXILHTZUGTR-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)cc1 ZINC000444750881 986913790 /nfs/dbraw/zinc/91/37/90/986913790.db2.gz LKHYEGJMYVYQSY-INIZCTEOSA-N 1 0 418.497 3.969 20 30 HHEDRO C=CC[C@@H]1[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCC1(C)C ZINC000444784707 986941313 /nfs/dbraw/zinc/94/13/13/986941313.db2.gz WIWCZXTYUCBAAP-NRFANRHFSA-N 1 0 403.611 3.694 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469224082 986946506 /nfs/dbraw/zinc/94/65/06/986946506.db2.gz ZCGWUIKYBUBAMQ-UWJYYQICSA-N 1 0 400.482 3.854 20 30 HHEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000469279913 986998664 /nfs/dbraw/zinc/99/86/64/986998664.db2.gz SVHOJHXZTPKNSP-IBGZPJMESA-N 1 0 417.340 3.887 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCCC1)C(=O)NC1(C#N)CCC1 ZINC000469310889 987022597 /nfs/dbraw/zinc/02/25/97/987022597.db2.gz OZGIIPIGIPECLN-OAHLLOKOSA-N 1 0 404.352 3.801 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1 ZINC000469429444 987116482 /nfs/dbraw/zinc/11/64/82/987116482.db2.gz DHRISEGSVYHEJG-KNQAVFIVSA-N 1 0 410.562 3.812 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000469599376 987264746 /nfs/dbraw/zinc/26/47/46/987264746.db2.gz TUDJRBGEKSHABC-KRWDZBQOSA-N 1 0 422.529 3.690 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000469861181 987498937 /nfs/dbraw/zinc/49/89/37/987498937.db2.gz WKFRDVNBCFYBPS-JOCHJYFZSA-N 1 0 423.582 3.841 20 30 HHEDRO Cn1cc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000445766289 987828354 /nfs/dbraw/zinc/82/83/54/987828354.db2.gz HWKONXLYDSIIPH-UHFFFAOYSA-N 1 0 400.526 3.717 20 30 HHEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000470219929 988147797 /nfs/dbraw/zinc/14/77/97/988147797.db2.gz OBXGLLCHXKTKNJ-HRAATJIYSA-N 1 0 413.905 3.727 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000470233596 988168245 /nfs/dbraw/zinc/16/82/45/988168245.db2.gz KWZBGOIAQYMJBM-OAQYLSRUSA-N 1 0 419.573 3.885 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464048586 988169995 /nfs/dbraw/zinc/16/99/95/988169995.db2.gz IIOUFVWTUKZLSE-FQEVSTJZSA-N 1 0 405.395 3.768 20 30 HHEDRO Cn1c2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2nc1C(F)F ZINC000464057715 988180039 /nfs/dbraw/zinc/18/00/39/988180039.db2.gz HNSVSEKQXDXIEL-UHFFFAOYSA-N 1 0 423.467 3.799 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000470532662 988536252 /nfs/dbraw/zinc/53/62/52/988536252.db2.gz YARMKSDTDIDVQW-BJKOFHAPSA-N 1 0 402.542 3.740 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)CC2)c1 ZINC000470552732 988566072 /nfs/dbraw/zinc/56/60/72/988566072.db2.gz ZQKCTEIAFVBGKL-LOSJGSFVSA-N 1 0 416.569 3.806 20 30 HHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000464614533 988794203 /nfs/dbraw/zinc/79/42/03/988794203.db2.gz DYEXCRCVVYMZKS-OAHLLOKOSA-N 1 0 420.479 3.784 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464779541 989006433 /nfs/dbraw/zinc/00/64/33/989006433.db2.gz UJYUVJXYKAFLIZ-IAGOWNOFSA-N 1 0 402.608 3.879 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000470962178 989025966 /nfs/dbraw/zinc/02/59/66/989025966.db2.gz VLUHIQLEQLSPFI-UEXGIBASSA-N 1 0 421.459 3.982 20 30 HHEDRO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCN(c2ccccn2)CC1 ZINC000464805766 989037031 /nfs/dbraw/zinc/03/70/31/989037031.db2.gz BWCLRUOTMWZAKO-UHFFFAOYSA-N 1 0 402.502 3.742 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464842571 989089453 /nfs/dbraw/zinc/08/94/53/989089453.db2.gz JBZJCJCOZCANLZ-URXFXBBRSA-N 1 0 424.585 3.760 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1C#N ZINC000464846866 989097689 /nfs/dbraw/zinc/09/76/89/989097689.db2.gz BESPBGYDBUJCRA-SIKLNZKXSA-N 1 0 424.520 3.603 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464849587 989101236 /nfs/dbraw/zinc/10/12/36/989101236.db2.gz NZBSDEWREMMROC-HKUYNNGSSA-N 1 0 422.598 3.889 20 30 HHEDRO C[N@@H+]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C2(CCCCC2)C1 ZINC000471040309 989116062 /nfs/dbraw/zinc/11/60/62/989116062.db2.gz IQJJLQNSOMSLOX-UHFFFAOYSA-N 1 0 400.592 3.777 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000471047826 989126843 /nfs/dbraw/zinc/12/68/43/989126843.db2.gz MHIPLWNVPOIASF-PKTZIBPZSA-N 1 0 418.541 3.765 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464980012 989282229 /nfs/dbraw/zinc/28/22/29/989282229.db2.gz JFMYGAPWRIQMPU-XUZZJYLKSA-N 1 0 405.542 3.942 20 30 HHEDRO N#CCCn1ncc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1ccccc1 ZINC000471284654 989440018 /nfs/dbraw/zinc/44/00/18/989440018.db2.gz YFWREYTZKUPLRH-OAQYLSRUSA-N 1 0 413.525 3.716 20 30 HHEDRO COc1cccc([C@H](CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[NH+](C)C)c1 ZINC000465435971 989781296 /nfs/dbraw/zinc/78/12/96/989781296.db2.gz UOADNKDCLJVZJG-VJBWXMMDSA-N 1 0 406.530 3.779 20 30 HHEDRO C[NH+](C)CCOCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000471633274 989840886 /nfs/dbraw/zinc/84/08/86/989840886.db2.gz APWFJLLFIYPKIZ-UHFFFAOYSA-N 1 0 402.882 3.704 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000465558935 989923984 /nfs/dbraw/zinc/92/39/84/989923984.db2.gz VMOZUUCQKGPBAW-DHIUTWEWSA-N 1 0 406.530 3.608 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000471743658 989939147 /nfs/dbraw/zinc/93/91/47/989939147.db2.gz HVKPBCAPNAKYTO-YADARESESA-N 1 0 400.526 3.931 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1ccccc1 ZINC000471956797 990121429 /nfs/dbraw/zinc/12/14/29/990121429.db2.gz GDULFOCPFIJWEI-WIYYLYMNSA-N 1 0 420.904 3.964 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000471969744 990135305 /nfs/dbraw/zinc/13/53/05/990135305.db2.gz UQLPWBCUVJTWKA-XMMPIXPASA-N 1 0 400.526 3.933 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000471970024 990135380 /nfs/dbraw/zinc/13/53/80/990135380.db2.gz VZFZHBKUTOARGO-XMMPIXPASA-N 1 0 400.526 3.933 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472017868 990187211 /nfs/dbraw/zinc/18/72/11/990187211.db2.gz NISXKQUATBNMJC-XMMPIXPASA-N 1 0 400.526 3.611 20 30 HHEDRO COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466042177 991212156 /nfs/dbraw/zinc/21/21/56/991212156.db2.gz KDOJBIHIFJROPP-ILBGXUMGSA-N 1 0 418.541 3.514 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466616692 991932866 /nfs/dbraw/zinc/93/28/66/991932866.db2.gz OCQSUFMWTDLRCR-ICSRJNTNSA-N 1 0 407.518 3.796 20 30 HHEDRO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466622375 991938735 /nfs/dbraw/zinc/93/87/35/991938735.db2.gz CSTFLPMUKZAOHD-HXUWFJFHSA-N 1 0 407.518 3.892 20 30 HHEDRO N#Cc1cccc(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000466806296 992115613 /nfs/dbraw/zinc/11/56/13/992115613.db2.gz LGWRCBBYGIUHLX-ZEQRLZLVSA-N 1 0 402.542 3.797 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000467431743 992730113 /nfs/dbraw/zinc/73/01/13/992730113.db2.gz DGPJQCKSSWBRSS-UHFFFAOYSA-N 1 0 407.923 3.733 20 30 HHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000467440240 992736312 /nfs/dbraw/zinc/73/63/12/992736312.db2.gz QGYQCIGTTYJUGA-HNNXBMFYSA-N 1 0 419.934 3.733 20 30 HHEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472254762 993281270 /nfs/dbraw/zinc/28/12/70/993281270.db2.gz GHHGIOPHRJQKQI-SFTDATJTSA-N 1 0 412.534 3.572 20 30 HHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000472266096 993289936 /nfs/dbraw/zinc/28/99/36/993289936.db2.gz PYEQDSVAFCDQPR-GHTZIAJQSA-N 1 0 402.498 3.600 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472300420 993314195 /nfs/dbraw/zinc/31/41/95/993314195.db2.gz PZTUHAKBBHFLCH-QPTUXGOLSA-N 1 0 402.542 3.990 20 30 HHEDRO CC(C)Sc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000472387181 993382393 /nfs/dbraw/zinc/38/23/93/993382393.db2.gz MUOYGJNGMWKPPH-UHFFFAOYSA-N 1 0 424.570 3.588 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000480787588 993655548 /nfs/dbraw/zinc/65/55/48/993655548.db2.gz DQZMLZHAWNCKJE-DLBZAZTESA-N 1 0 417.579 3.585 20 30 HHEDRO CC(C)C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH2+][C@H](C)c1ccccc1 ZINC000481055272 993896551 /nfs/dbraw/zinc/89/65/51/993896551.db2.gz HMLMGEAAQUGUDS-DYESRHJHSA-N 1 0 417.550 3.882 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000481064295 993904420 /nfs/dbraw/zinc/90/44/20/993904420.db2.gz UTOVHZUDSHABIH-DYESRHJHSA-N 1 0 415.534 3.512 20 30 HHEDRO Cn1c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000473213770 994073251 /nfs/dbraw/zinc/07/32/51/994073251.db2.gz HOPJGRMIHRLGGR-UHFFFAOYSA-N 1 0 420.948 3.715 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)CC1 ZINC000473365542 994226186 /nfs/dbraw/zinc/22/61/86/994226186.db2.gz KVWNCSCJKATDDH-UHFFFAOYSA-N 1 0 412.559 3.522 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000481484609 994317271 /nfs/dbraw/zinc/31/72/71/994317271.db2.gz LDEFCFIJWSYWBW-UTKZUKDTSA-N 1 0 412.509 3.526 20 30 HHEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000481546981 994378480 /nfs/dbraw/zinc/37/84/80/994378480.db2.gz UWCCSRUQJUMOCQ-YCRPNKLZSA-N 1 0 423.904 3.702 20 30 HHEDRO C=C(C)[C@H](N[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617677 994477308 /nfs/dbraw/zinc/47/73/08/994477308.db2.gz WFMQIUDVTHNFMG-NYDSKATKSA-N 1 0 413.512 3.951 20 30 HHEDRO N#Cc1ccc(C2(C(=O)Nc3ccc4c(ccn4CCN4CCOCC4)c3)CC2)cc1 ZINC000473630491 994510107 /nfs/dbraw/zinc/51/01/07/994510107.db2.gz HXGRCENLSBMYSA-UHFFFAOYSA-N 1 0 414.509 3.515 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)c1 ZINC000481667732 994527898 /nfs/dbraw/zinc/52/78/98/994527898.db2.gz HJUVMRHUTFIGFH-DHIUTWEWSA-N 1 0 405.498 3.738 20 30 HHEDRO COc1cc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)ccc1OCC(=O)N(C)C ZINC000481668779 994528594 /nfs/dbraw/zinc/52/85/94/994528594.db2.gz USONNVWMPJAIOJ-NRFANRHFSA-N 1 0 407.514 3.591 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000473673280 994562730 /nfs/dbraw/zinc/56/27/30/994562730.db2.gz DUMYXITWTMUIQY-KRWDZBQOSA-N 1 0 403.596 3.618 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000481914519 994786685 /nfs/dbraw/zinc/78/66/85/994786685.db2.gz ABPPSTQYUXYFCS-XMMPIXPASA-N 1 0 403.526 3.815 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000473959568 994939995 /nfs/dbraw/zinc/93/99/95/994939995.db2.gz OARGXINTUCEPLS-UHFFFAOYSA-N 1 0 424.520 3.918 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)nnc1-c1ccco1 ZINC000482110683 995058343 /nfs/dbraw/zinc/05/83/43/995058343.db2.gz ZYHLRFOSJPWEAJ-IAGOWNOFSA-N 1 0 417.579 3.538 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)nnc1-c1ccco1 ZINC000482110682 995058558 /nfs/dbraw/zinc/05/85/58/995058558.db2.gz ZYHLRFOSJPWEAJ-DLBZAZTESA-N 1 0 417.579 3.538 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000474231045 995227156 /nfs/dbraw/zinc/22/71/56/995227156.db2.gz LWZAANUXRPVDKF-QHCPKHFHSA-N 1 0 404.558 3.756 20 30 HHEDRO C=CC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000474281027 995276096 /nfs/dbraw/zinc/27/60/96/995276096.db2.gz QBVWHFYQIWJINZ-INIZCTEOSA-N 1 0 420.908 3.646 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000482432484 995425042 /nfs/dbraw/zinc/42/50/42/995425042.db2.gz BHERQRMYLNSASE-FQEVSTJZSA-N 1 0 421.541 3.513 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCCCC[NH+]3CCCC3)cc2)c1 ZINC000482584883 995587719 /nfs/dbraw/zinc/58/77/19/995587719.db2.gz WYJDIGVKXDVTET-UHFFFAOYSA-N 1 0 420.513 3.671 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)C[C@H](CC#N)c3ccccc3)CC2)c1 ZINC000474782425 995708103 /nfs/dbraw/zinc/70/81/03/995708103.db2.gz GQFUTRXOARIRCZ-QHCPKHFHSA-N 1 0 404.558 3.711 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2cnccc2C)c1C#N ZINC000482988190 995903889 /nfs/dbraw/zinc/90/38/89/995903889.db2.gz RYHGMCJENJQBND-UHFFFAOYSA-N 1 0 405.502 3.782 20 30 HHEDRO C[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000475083089 995910802 /nfs/dbraw/zinc/91/08/02/995910802.db2.gz HREVTAXXBBMPCH-OALUTQOASA-N 1 0 402.539 3.870 20 30 HHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000483034821 995933154 /nfs/dbraw/zinc/93/31/54/995933154.db2.gz HDWULEAEFBSBRM-HSZRJFAPSA-N 1 0 412.509 3.934 20 30 HHEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1CCC(C)(C)C1 ZINC000483125071 995990621 /nfs/dbraw/zinc/99/06/21/995990621.db2.gz RETJACVTQOQBTR-ROUUACIJSA-N 1 0 412.578 3.867 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)CO)c1C#N ZINC000483167590 996013897 /nfs/dbraw/zinc/01/38/97/996013897.db2.gz JCMODGGGSZDKPU-HNNXBMFYSA-N 1 0 412.509 3.526 20 30 HHEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000483226048 996047744 /nfs/dbraw/zinc/04/77/44/996047744.db2.gz GHDOEVJDIFFINS-SFHVURJKSA-N 1 0 414.481 3.968 20 30 HHEDRO CCN1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H]1c1ncc[nH]1 ZINC000475355488 996086706 /nfs/dbraw/zinc/08/67/06/996086706.db2.gz VTCGACAKIGOFKH-HSZRJFAPSA-N 1 0 401.514 3.739 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)[C@H]2CCCSC2)cc1OC ZINC000475497860 996180941 /nfs/dbraw/zinc/18/09/41/996180941.db2.gz UCFYZVCSKNMAHI-HNNXBMFYSA-N 1 0 416.381 3.712 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)[C@@H]2CCCSC2)cc1OC ZINC000475497861 996181013 /nfs/dbraw/zinc/18/10/13/996181013.db2.gz UCFYZVCSKNMAHI-OAHLLOKOSA-N 1 0 416.381 3.712 20 30 HHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000475532428 996205732 /nfs/dbraw/zinc/20/57/32/996205732.db2.gz PAEDGKSKDVYZTG-UHFFFAOYSA-N 1 0 403.935 3.676 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483494253 996216920 /nfs/dbraw/zinc/21/69/20/996216920.db2.gz WCMZBLNNZFKCLO-UKILVPOCSA-N 1 0 416.569 3.920 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000475571584 996224721 /nfs/dbraw/zinc/22/47/21/996224721.db2.gz GMSWNKLBCLBTHD-UHFFFAOYSA-N 1 0 400.567 3.556 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475573401 996225971 /nfs/dbraw/zinc/22/59/71/996225971.db2.gz SHCXKIHUGQOASS-LJQANCHMSA-N 1 0 403.592 3.954 20 30 HHEDRO CCOC(=O)C1(COC)CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000475616176 996250110 /nfs/dbraw/zinc/25/01/10/996250110.db2.gz NBZUVWNSVQAFQK-UHFFFAOYSA-N 1 0 422.525 3.929 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475736680 996335934 /nfs/dbraw/zinc/33/59/34/996335934.db2.gz BJXPTJLQLFLYHV-QPPBQGQZSA-N 1 0 408.590 3.706 20 30 HHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1 ZINC000483713232 996344454 /nfs/dbraw/zinc/34/44/54/996344454.db2.gz REPWPYFZYYIPNJ-UHFFFAOYSA-N 1 0 418.444 3.764 20 30 HHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000483736269 996357664 /nfs/dbraw/zinc/35/76/64/996357664.db2.gz XYLZOOCTECPZCZ-IFMALSPDSA-N 1 0 406.530 3.713 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475784945 996369790 /nfs/dbraw/zinc/36/97/90/996369790.db2.gz BAGANRVTMFTVGD-OAHLLOKOSA-N 1 0 403.935 3.716 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000483765029 996373187 /nfs/dbraw/zinc/37/31/87/996373187.db2.gz QRJYNVWTJNXFPZ-HNNXBMFYSA-N 1 0 410.356 3.556 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000476183314 996662555 /nfs/dbraw/zinc/66/25/55/996662555.db2.gz VCGZWVXCHVKNBE-UHFFFAOYSA-N 1 0 401.507 3.631 20 30 HHEDRO N#CC1(CS(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCCC1 ZINC000476340526 996765615 /nfs/dbraw/zinc/76/56/15/996765615.db2.gz TUHXKMKLRSRKGF-HSZRJFAPSA-N 1 0 415.603 3.778 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476426838 996895096 /nfs/dbraw/zinc/89/50/96/996895096.db2.gz GPGSXFPOLTYDCA-HZPDHXFCSA-N 1 0 417.962 3.647 20 30 HHEDRO CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000476469462 996946221 /nfs/dbraw/zinc/94/62/21/996946221.db2.gz HEOPGGGSPQINLA-GMKZXUHWSA-N 1 0 410.606 3.870 20 30 HHEDRO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@@H]1CC=CCC1 ZINC000485107041 997487624 /nfs/dbraw/zinc/48/76/24/997487624.db2.gz MIFHYCLEBAXSHZ-HXUWFJFHSA-N 1 0 424.545 3.861 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)c(F)c3)C2=O)cc1 ZINC000485235940 997615536 /nfs/dbraw/zinc/61/55/36/997615536.db2.gz WWSXKLVWIBOEOZ-GOSISDBHSA-N 1 0 402.267 3.745 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2)CC1 ZINC000485258244 997650468 /nfs/dbraw/zinc/65/04/68/997650468.db2.gz HZDWHYYWGDSBHG-XMMPIXPASA-N 1 0 417.557 3.696 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000485293622 997696119 /nfs/dbraw/zinc/69/61/19/997696119.db2.gz XSFKILGIFAHJNY-OPAMFIHVSA-N 1 0 402.498 3.753 20 30 HHEDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485314093 997723479 /nfs/dbraw/zinc/72/34/79/997723479.db2.gz DXYYUXDLXADFMF-JTSKRJEESA-N 1 0 419.529 3.934 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000477103017 997756195 /nfs/dbraw/zinc/75/61/95/997756195.db2.gz UYMQXQCUFIXKAV-INIZCTEOSA-N 1 0 409.983 3.877 20 30 HHEDRO CCn1ncc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000477416849 998102611 /nfs/dbraw/zinc/10/26/11/998102611.db2.gz JVMYPHWMJKCENS-UHFFFAOYSA-N 1 0 402.502 3.668 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)CNc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477485259 998206173 /nfs/dbraw/zinc/20/61/73/998206173.db2.gz OUAUGCWMYDYRGB-KKSFZXQISA-N 1 0 400.885 3.572 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c1 ZINC000477536717 998256087 /nfs/dbraw/zinc/25/60/87/998256087.db2.gz LXLZRRUWZGSWLV-UHFFFAOYSA-N 1 0 405.498 3.738 20 30 HHEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477633243 998350337 /nfs/dbraw/zinc/35/03/37/998350337.db2.gz BOVOOIPDDRXURA-UHFFFAOYSA-N 1 0 407.514 3.970 20 30 HHEDRO CCN(C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713452 998434665 /nfs/dbraw/zinc/43/46/65/998434665.db2.gz DPEGGOFGOHQRHK-NNVNDSJASA-N 1 0 416.532 3.512 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)CCO1 ZINC000477734213 998469474 /nfs/dbraw/zinc/46/94/74/998469474.db2.gz OPHUGPGEWJGFAA-SFHVURJKSA-N 1 0 405.498 3.676 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1)CC(F)(F)F ZINC000477745557 998487302 /nfs/dbraw/zinc/48/73/02/998487302.db2.gz REQPQPPDPUFFBW-IBGZPJMESA-N 1 0 424.511 3.756 20 30 HHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000486238576 998668127 /nfs/dbraw/zinc/66/81/27/998668127.db2.gz BOBJDHLJDIRYAH-UHFFFAOYSA-N 1 0 423.582 3.957 20 30 HHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000486238986 998668689 /nfs/dbraw/zinc/66/86/89/998668689.db2.gz GJOPYEOJAGVLAZ-GOSISDBHSA-N 1 0 409.555 3.914 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CC([NH+]3CCCCC3)C2)cc1C ZINC000477944430 998673014 /nfs/dbraw/zinc/67/30/14/998673014.db2.gz CAICMGXAVBTQAU-UHFFFAOYSA-N 1 0 405.546 3.827 20 30 HHEDRO Cn1cc(C[NH2+]CCOc2ncccc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000478235600 998838906 /nfs/dbraw/zinc/83/89/06/998838906.db2.gz SRVHXMNPHDCDJJ-UHFFFAOYSA-N 1 0 401.392 3.541 20 30 HHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000478271785 998855891 /nfs/dbraw/zinc/85/58/91/998855891.db2.gz CYHYBSGQBJMIBP-UHFFFAOYSA-N 1 0 412.497 3.705 20 30 HHEDRO Cn1cc(C[NH2+]Cc2cccc(COC3CCOCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478274348 998857960 /nfs/dbraw/zinc/85/79/60/998857960.db2.gz OMOSSSFTHXWEJH-UHFFFAOYSA-N 1 0 416.525 3.944 20 30 HHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000478369223 998921146 /nfs/dbraw/zinc/92/11/46/998921146.db2.gz JEYNXKPKDAUWOB-LOSJGSFVSA-N 1 0 411.505 3.965 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000478395185 998935252 /nfs/dbraw/zinc/93/52/52/998935252.db2.gz DNYVCZNHKPUJHW-UHFFFAOYSA-N 1 0 415.459 3.974 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-n4cnc5ccccc54)cc3)C2=O)cc1 ZINC000486852099 998973282 /nfs/dbraw/zinc/97/32/82/998973282.db2.gz CVSRIIYPBPHYDB-DEOSSOPVSA-N 1 0 421.504 3.788 20 30 HHEDRO CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000486869162 998982451 /nfs/dbraw/zinc/98/24/51/998982451.db2.gz PLOYPMQUZLOOOU-LJQANCHMSA-N 1 0 413.905 3.510 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000487003404 999032443 /nfs/dbraw/zinc/03/24/43/999032443.db2.gz XZOIWWDDINSBNV-HXUWFJFHSA-N 1 0 418.463 3.978 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000487505801 999201810 /nfs/dbraw/zinc/20/18/10/999201810.db2.gz XNHCXTMMSXXCJW-IQJRZOLZSA-N 1 0 412.578 3.530 20 30 HHEDRO N#CC1(NC(=O)c2ccc(F)cc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000479211623 999327878 /nfs/dbraw/zinc/32/78/78/999327878.db2.gz FTMHPKZZLWPFSL-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO Cc1oc(-c2ccccc2)nc1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479224674 999332829 /nfs/dbraw/zinc/33/28/29/999332829.db2.gz XQBKHWYMKYDCLA-UHFFFAOYSA-N 1 0 414.509 3.867 20 30 HHEDRO Cc1nc(C(F)(F)F)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479293173 999369150 /nfs/dbraw/zinc/36/91/50/999369150.db2.gz WNSBYMKYBFCSSL-UHFFFAOYSA-N 1 0 402.420 3.697 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000479519488 999456880 /nfs/dbraw/zinc/45/68/80/999456880.db2.gz UCTMZQOFCYPALU-HDICACEKSA-N 1 0 409.555 3.939 20 30 HHEDRO COC(=O)[C@H](Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1)c1cccc(C#N)c1 ZINC000479540518 999468082 /nfs/dbraw/zinc/46/80/82/999468082.db2.gz LGUMSPVZXVKLEZ-HSZRJFAPSA-N 1 0 406.530 3.723 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000479549363 999472226 /nfs/dbraw/zinc/47/22/26/999472226.db2.gz ZMFUXKWCWZSOAJ-UHFFFAOYSA-N 1 0 421.566 3.894 20 30 HHEDRO Cc1cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479549141 999472271 /nfs/dbraw/zinc/47/22/71/999472271.db2.gz WKICLVLUEYIUCE-LJQANCHMSA-N 1 0 405.546 3.836 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(C[NH+]3CCCC3)CC2)c1C#N ZINC000488423742 999483003 /nfs/dbraw/zinc/48/30/03/999483003.db2.gz YEUBWVWSNOLRBN-UHFFFAOYSA-N 1 0 411.594 3.838 20 30 HHEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466081 999496133 /nfs/dbraw/zinc/49/61/33/999496133.db2.gz PCJRELOWFCUXAL-JPYJTQIMSA-N 1 0 418.541 3.789 20 30 HHEDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476581 999500235 /nfs/dbraw/zinc/50/02/35/999500235.db2.gz GYHLTYUMGQAJAA-MOPGFXCFSA-N 1 0 424.526 3.728 20 30 HHEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488481411 999502582 /nfs/dbraw/zinc/50/25/82/999502582.db2.gz QNNCCOLHZNRWNG-OXJNMPFZSA-N 1 0 424.932 3.628 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488490852 999505423 /nfs/dbraw/zinc/50/54/23/999505423.db2.gz UXPLWDZCFSAWBC-SIKLNZKXSA-N 1 0 421.541 3.753 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000488497405 999507936 /nfs/dbraw/zinc/50/79/36/999507936.db2.gz ZKROOHPQFWTZAP-BVSLBCMMSA-N 1 0 418.497 3.568 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)(F)F ZINC000488502853 999509766 /nfs/dbraw/zinc/50/97/66/999509766.db2.gz IVEBYJYBAYCLNX-RDTXWAMCSA-N 1 0 403.404 3.909 20 30 HHEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488503737 999510230 /nfs/dbraw/zinc/51/02/30/999510230.db2.gz VCOJFBOHFTUNQI-JPYJTQIMSA-N 1 0 418.541 3.789 20 30 HHEDRO COc1cccc([C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000479841814 999620738 /nfs/dbraw/zinc/62/07/38/999620738.db2.gz ZKFCSPJQFPUTFN-QFIPXVFZSA-N 1 0 407.514 3.678 20 30 HHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)CC1 ZINC000488830153 999621138 /nfs/dbraw/zinc/62/11/38/999621138.db2.gz OMKWAEQHEATYPG-UHFFFAOYSA-N 1 0 402.542 3.893 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)cc1Cl ZINC000479876887 999633296 /nfs/dbraw/zinc/63/32/96/999633296.db2.gz PNHVRBVVRIZUCW-UHFFFAOYSA-N 1 0 405.926 3.639 20 30 HHEDRO C=CCn1c(SCC(=O)NC2CC[NH+](C(C)C)CC2)nnc1-c1ccccc1C ZINC000488923925 999648647 /nfs/dbraw/zinc/64/86/47/999648647.db2.gz DAVAOQRDNQTJDD-UHFFFAOYSA-N 1 0 413.591 3.521 20 30 HHEDRO Cn1cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479949522 999659576 /nfs/dbraw/zinc/65/95/76/999659576.db2.gz NOXWKCXABYEMGI-UHFFFAOYSA-N 1 0 401.392 3.585 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCCC[N@H+]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000479969280 999668448 /nfs/dbraw/zinc/66/84/48/999668448.db2.gz XHWRPZKRLFUCQY-QGZVFWFLSA-N 1 0 417.579 3.587 20 30 HHEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000480026057 999692179 /nfs/dbraw/zinc/69/21/79/999692179.db2.gz ZCYNOHAMWKVRRA-UHFFFAOYSA-N 1 0 421.495 3.991 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1F ZINC000489182431 999717868 /nfs/dbraw/zinc/71/78/68/999717868.db2.gz KPBUMUNWVBCTRW-UHFFFAOYSA-N 1 0 421.925 3.541 20 30 HHEDRO COCC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@@H]1CCO[C@H]1C ZINC000489409401 999760894 /nfs/dbraw/zinc/76/08/94/999760894.db2.gz GLPAABLSDZLSTN-PGRDOPGGSA-N 1 0 410.514 3.772 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000480311164 999768264 /nfs/dbraw/zinc/76/82/64/999768264.db2.gz QUOYNLCTUJAXPS-KDURUIRLSA-N 1 0 421.541 3.641 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4nc(C(F)(F)F)c[nH]4)CC3)C2=O)cc1 ZINC000490043561 999883715 /nfs/dbraw/zinc/88/37/15/999883715.db2.gz YTCWKOFYFOBSGC-KRWDZBQOSA-N 1 0 417.435 3.675 20 30 HHEDRO Cn1cc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490356264 999943706 /nfs/dbraw/zinc/94/37/06/999943706.db2.gz UMLSYTYACGCLRM-UHFFFAOYSA-N 1 0 415.541 3.775 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490375713 999947500 /nfs/dbraw/zinc/94/75/00/999947500.db2.gz QNTXCWVXSPHECU-MRXNPFEDSA-N 1 0 424.932 3.841 20 30 HHEDRO CCN(C(=O)c1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1Cl)C(C)C ZINC000490486795 999965562 /nfs/dbraw/zinc/96/55/62/999965562.db2.gz XLHIDHQBIWOIMG-UHFFFAOYSA-N 1 0 421.973 3.910 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000490754330 1000001207 /nfs/dbraw/zinc/00/12/07/1000001207.db2.gz CMGJJUGKJKSFTL-PZJWPPBQSA-N 1 0 422.598 3.997 20 30 HHEDRO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491082069 1000043655 /nfs/dbraw/zinc/04/36/55/1000043655.db2.gz CWCQZBWBFWTZLL-UHFFFAOYSA-N 1 0 410.525 3.538 20 30 HHEDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000491111954 1000046751 /nfs/dbraw/zinc/04/67/51/1000046751.db2.gz OOBUZJUWGYKVKN-HSZRJFAPSA-N 1 0 413.525 3.743 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491140709 1000049530 /nfs/dbraw/zinc/04/95/30/1000049530.db2.gz JMHFVMHXKJDFCG-UHFFFAOYSA-N 1 0 417.488 3.949 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000491583675 1000085974 /nfs/dbraw/zinc/08/59/74/1000085974.db2.gz LYQCFTGTQMPGGQ-INIZCTEOSA-N 1 0 416.953 3.653 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000492211014 1000115651 /nfs/dbraw/zinc/11/56/51/1000115651.db2.gz PJAAANQHHIUKLU-YLJYHZDGSA-N 1 0 406.486 3.917 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000492757432 1000142917 /nfs/dbraw/zinc/14/29/17/1000142917.db2.gz QQCBFOZMYDLZSW-JTSKRJEESA-N 1 0 402.498 3.531 20 30 HHEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000493129819 1000158888 /nfs/dbraw/zinc/15/88/88/1000158888.db2.gz FXARYNPZKNAFND-OAQYLSRUSA-N 1 0 409.490 3.691 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000493915915 1000211706 /nfs/dbraw/zinc/21/17/06/1000211706.db2.gz GIPNXQJIKFTSBM-GGAORHGYSA-N 1 0 413.468 3.948 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1C#N ZINC000494050363 1000283877 /nfs/dbraw/zinc/28/38/77/1000283877.db2.gz QIDGRWLCLCIGCK-YWZLYKJASA-N 1 0 406.555 3.945 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000494239554 1000381024 /nfs/dbraw/zinc/38/10/24/1000381024.db2.gz YFAFPZKEJMTELI-ZEQRLZLVSA-N 1 0 403.526 3.586 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Br)cs1 ZINC000494483694 1000517035 /nfs/dbraw/zinc/51/70/35/1000517035.db2.gz ODLXLLHVENMDAB-WBMJQRKESA-N 1 0 404.333 3.834 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000494505813 1000529744 /nfs/dbraw/zinc/52/97/44/1000529744.db2.gz PKKSCDHOWOQEHA-CTNGQTDRSA-N 1 0 401.869 3.846 20 30 HHEDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494626518 1000579213 /nfs/dbraw/zinc/57/92/13/1000579213.db2.gz QIPDNKJDYXZJDU-CJNGLKHVSA-N 1 0 403.573 3.909 20 30 HHEDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494626520 1000579233 /nfs/dbraw/zinc/57/92/33/1000579233.db2.gz QIPDNKJDYXZJDU-XJKSGUPXSA-N 1 0 403.573 3.909 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+]2CCCC2)c1 ZINC000505165418 1000590428 /nfs/dbraw/zinc/59/04/28/1000590428.db2.gz XOJZTZSEBWIKHM-JOCHJYFZSA-N 1 0 409.505 3.937 20 30 HHEDRO CC(C)C(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000505261809 1000653151 /nfs/dbraw/zinc/65/31/51/1000653151.db2.gz MXQYLEFWDGYDDK-UHFFFAOYSA-N 1 0 407.518 3.748 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000505326322 1000703415 /nfs/dbraw/zinc/70/34/15/1000703415.db2.gz TVDRISOTRDFWOX-ROUUACIJSA-N 1 0 402.564 3.657 20 30 HHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H](C)C(C)C ZINC000495006379 1000775049 /nfs/dbraw/zinc/77/50/49/1000775049.db2.gz REYZYRUFXARHMU-MSOLQXFVSA-N 1 0 400.567 3.722 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000505860271 1001065862 /nfs/dbraw/zinc/06/58/62/1001065862.db2.gz IYYSZMWLWFSKSB-QHCPKHFHSA-N 1 0 421.541 3.706 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000505947434 1001120616 /nfs/dbraw/zinc/12/06/16/1001120616.db2.gz HVYHUJYHABCBJR-PKTZIBPZSA-N 1 0 420.582 3.912 20 30 HHEDRO CN(CC[NH+](C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000496355283 1001164849 /nfs/dbraw/zinc/16/48/49/1001164849.db2.gz DBYIWNMNDNDANE-UHFFFAOYSA-N 1 0 411.453 3.650 20 30 HHEDRO C[N@H+](CCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)Cc1ccccc1 ZINC000506021846 1001168599 /nfs/dbraw/zinc/16/85/99/1001168599.db2.gz MWRLFSZCDLSLNF-UHFFFAOYSA-N 1 0 408.521 3.552 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)c(F)c1 ZINC000506022106 1001169271 /nfs/dbraw/zinc/16/92/71/1001169271.db2.gz QQMLZOGTNSCARW-XMMPIXPASA-N 1 0 420.532 3.867 20 30 HHEDRO C=CCOc1ccc(C[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)C(C)(C)C)cc1 ZINC000506050793 1001191447 /nfs/dbraw/zinc/19/14/47/1001191447.db2.gz GEAZBKGPHXEOPZ-UHFFFAOYSA-N 1 0 409.578 3.594 20 30 HHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000497418950 1001352484 /nfs/dbraw/zinc/35/24/84/1001352484.db2.gz SKINSXWCSIATSY-LOSJGSFVSA-N 1 0 411.505 3.965 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)[NH+]2CCCC2)o1 ZINC000506347693 1001368877 /nfs/dbraw/zinc/36/88/77/1001368877.db2.gz PLENFUWZHBDYDZ-LJQANCHMSA-N 1 0 412.559 3.825 20 30 HHEDRO CCOC[C@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000506490485 1001437134 /nfs/dbraw/zinc/43/71/34/1001437134.db2.gz XZQHADHMAKZPJI-IBGZPJMESA-N 1 0 420.557 3.915 20 30 HHEDRO CC1CC[NH+](CCCCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000506528097 1001451667 /nfs/dbraw/zinc/45/16/67/1001451667.db2.gz VWXLZCRZKYAPLW-UHFFFAOYSA-N 1 0 400.542 3.542 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000506532334 1001453102 /nfs/dbraw/zinc/45/31/02/1001453102.db2.gz PTDFKPBBADJPQH-KDURUIRLSA-N 1 0 414.569 3.788 20 30 HHEDRO CC[N@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000497617651 1001460512 /nfs/dbraw/zinc/46/05/12/1001460512.db2.gz HIWAFRKEHBYUME-QGZVFWFLSA-N 1 0 407.514 3.543 20 30 HHEDRO CCN(CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620492 1001461497 /nfs/dbraw/zinc/46/14/97/1001461497.db2.gz OHSDWRIGGZOZMB-QFIPXVFZSA-N 1 0 418.585 3.984 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000506696219 1001496628 /nfs/dbraw/zinc/49/66/28/1001496628.db2.gz KCEBDJSRHAOKAL-GOSISDBHSA-N 1 0 421.545 3.735 20 30 HHEDRO CCOC(=O)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2c1CCCCC2 ZINC000506933887 1001601076 /nfs/dbraw/zinc/60/10/76/1001601076.db2.gz UQSUQNBGCYONLX-UHFFFAOYSA-N 1 0 420.579 3.893 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000498038013 1001617271 /nfs/dbraw/zinc/61/72/71/1001617271.db2.gz HHHXZICSKKOIRW-UHFFFAOYSA-N 1 0 411.505 3.925 20 30 HHEDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000498329078 1001779445 /nfs/dbraw/zinc/77/94/45/1001779445.db2.gz GXGRBUPNDOQGDB-UHFFFAOYSA-N 1 0 411.477 3.672 20 30 HHEDRO C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498381400 1001811250 /nfs/dbraw/zinc/81/12/50/1001811250.db2.gz BKCDOBCZZONZEM-GDBMZVCRSA-N 1 0 402.420 3.612 20 30 HHEDRO CCC1(C)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000507208481 1001896498 /nfs/dbraw/zinc/89/64/98/1001896498.db2.gz QNKDPJLNQFGDOK-SFHVURJKSA-N 1 0 412.578 3.868 20 30 HHEDRO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000507214199 1001901831 /nfs/dbraw/zinc/90/18/31/1001901831.db2.gz QEHFPMLKFVUULX-UHFFFAOYSA-N 1 0 421.541 3.980 20 30 HHEDRO 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AQWMUZRCVAYLEW-UHFFFAOYSA-N 1 0 420.605 3.599 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508938286 1003388364 /nfs/dbraw/zinc/38/83/64/1003388364.db2.gz IMQKDPTXGFBZFO-SFHVURJKSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000509014093 1003485685 /nfs/dbraw/zinc/48/56/85/1003485685.db2.gz WOFSNALXDZGEEE-UHFFFAOYSA-N 1 0 418.570 3.949 20 30 HHEDRO Cc1cc(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)nn1-c1cccc(C#N)c1 ZINC000509140754 1003581444 /nfs/dbraw/zinc/58/14/44/1003581444.db2.gz SHWJBYPBYGJROU-UHFFFAOYSA-N 1 0 401.514 3.823 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000509355329 1003785170 /nfs/dbraw/zinc/78/51/70/1003785170.db2.gz CBFGICMYHYGHSV-JOCHJYFZSA-N 1 0 410.493 3.553 20 30 HHEDRO N#Cc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511848051 1003827622 /nfs/dbraw/zinc/82/76/22/1003827622.db2.gz SREQJYJYZJSLNU-HXUWFJFHSA-N 1 0 401.432 3.900 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(C(=O)OC)ccc1F ZINC000511893369 1003870201 /nfs/dbraw/zinc/87/02/01/1003870201.db2.gz WZEWACDLFGSDHH-UHFFFAOYSA-N 1 0 418.538 3.711 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)c2)CC1 ZINC000500679542 1003888465 /nfs/dbraw/zinc/88/84/65/1003888465.db2.gz OATGQHVXBLIPET-UHFFFAOYSA-N 1 0 415.534 3.549 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1OCCCC#N ZINC000509557225 1003944156 /nfs/dbraw/zinc/94/41/56/1003944156.db2.gz MMTOPZWGNOGPMD-LJQANCHMSA-N 1 0 413.562 3.848 20 30 HHEDRO O=C(NCC#Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512039528 1003974027 /nfs/dbraw/zinc/97/40/27/1003974027.db2.gz DYTABYBWIPYSTQ-FQEVSTJZSA-N 1 0 401.432 3.631 20 30 HHEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc(C#N)cc2Br)[C@@H]1c1cnn(C)c1 ZINC000509620735 1003986296 /nfs/dbraw/zinc/98/62/96/1003986296.db2.gz SKFCFYVGWIUSRX-OXJNMPFZSA-N 1 0 416.367 3.964 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000500968682 1004084828 /nfs/dbraw/zinc/08/48/28/1004084828.db2.gz SHURYJZETZOSQV-UTKZUKDTSA-N 1 0 415.534 3.512 20 30 HHEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCc2ccccc2C1 ZINC000512318826 1004214190 /nfs/dbraw/zinc/21/41/90/1004214190.db2.gz SJAPXNTZYUEZGO-OAQYLSRUSA-N 1 0 400.444 3.662 20 30 HHEDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cccc(OCCCC#N)c3)CC2)nc1 ZINC000512345094 1004232408 /nfs/dbraw/zinc/23/24/08/1004232408.db2.gz DIWKDJAIFUSMDG-UHFFFAOYSA-N 1 0 422.529 3.653 20 30 HHEDRO C=C(CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)c1ccccc1 ZINC000510000628 1004257331 /nfs/dbraw/zinc/25/73/31/1004257331.db2.gz ISNMDIZNSQQTJD-UHFFFAOYSA-N 1 0 405.542 3.729 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000510037668 1004281835 /nfs/dbraw/zinc/28/18/35/1004281835.db2.gz GXMKJEUXRUUFRK-QFIPXVFZSA-N 1 0 414.513 3.860 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000512428469 1004294929 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CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000503476957 1005432220 /nfs/dbraw/zinc/43/22/20/1005432220.db2.gz BBUNULIZCNJSNJ-OAHLLOKOSA-N 1 0 413.472 3.861 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000503490254 1005435622 /nfs/dbraw/zinc/43/56/22/1005435622.db2.gz DDNSUCLYIIESSH-RXVVDRJESA-N 1 0 407.514 3.544 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000503606802 1005463921 /nfs/dbraw/zinc/46/39/21/1005463921.db2.gz GOEWLPATVNUEAQ-LJFZDNNRSA-N 1 0 413.562 3.665 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503757602 1005489760 /nfs/dbraw/zinc/48/97/60/1005489760.db2.gz LEBINCCAJJPFBX-QHCPKHFHSA-N 1 0 403.526 3.663 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503769076 1005491409 /nfs/dbraw/zinc/49/14/09/1005491409.db2.gz ZIPXXVKFVVWHDF-LJQANCHMSA-N 1 0 408.546 3.846 20 30 HHEDRO 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CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000538784621 1007066376 /nfs/dbraw/zinc/06/63/76/1007066376.db2.gz BXLFRIMUVZNRQK-UHFFFAOYSA-N 1 0 418.541 3.574 20 30 HHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000532682365 1007093816 /nfs/dbraw/zinc/09/38/16/1007093816.db2.gz IWMLUNANOJWHQX-FQEVSTJZSA-N 1 0 419.529 3.729 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000532768565 1007170968 /nfs/dbraw/zinc/17/09/68/1007170968.db2.gz ZNTZHIYKFZRNMG-FQEVSTJZSA-N 1 0 408.521 3.669 20 30 HHEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000535208387 1007257308 /nfs/dbraw/zinc/25/73/08/1007257308.db2.gz YJTAOVSKBMESLA-GOSISDBHSA-N 1 0 407.905 3.973 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1C ZINC000532914735 1007286639 /nfs/dbraw/zinc/28/66/39/1007286639.db2.gz OMNLKUHDWDSRLW-UHFFFAOYSA-N 1 0 408.571 3.876 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)CCCC)CC1 ZINC000532920482 1007292872 /nfs/dbraw/zinc/29/28/72/1007292872.db2.gz XTGQDTLIWNKPNN-GOSISDBHSA-N 1 0 405.608 3.622 20 30 HHEDRO C[N@H+](CCc1ccccc1)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000532926413 1007298367 /nfs/dbraw/zinc/29/83/67/1007298367.db2.gz KYLARUGWIANWGW-HXUWFJFHSA-N 1 0 420.557 3.531 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1Cl ZINC000532960920 1007329039 /nfs/dbraw/zinc/32/90/39/1007329039.db2.gz OSIYPSKQVGDVLE-UHFFFAOYSA-N 1 0 416.953 3.655 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000516993705 1007363071 /nfs/dbraw/zinc/36/30/71/1007363071.db2.gz CVZPDJRJAZBPHU-MRXNPFEDSA-N 1 0 413.547 3.738 20 30 HHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000517002552 1007369687 /nfs/dbraw/zinc/36/96/87/1007369687.db2.gz PMVGNUFEKYHJDE-HRAATJIYSA-N 1 0 403.448 3.956 20 30 HHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000517052599 1007383144 /nfs/dbraw/zinc/38/31/44/1007383144.db2.gz GMCBXOWNDHVXKI-XMMPIXPASA-N 1 0 420.557 3.771 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000517112188 1007425258 /nfs/dbraw/zinc/42/52/58/1007425258.db2.gz WEOXTZMMOXKWPG-OAQYLSRUSA-N 1 0 410.518 3.787 20 30 HHEDRO C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CCC[N@@H+](CC)CC1 ZINC000517204516 1007504734 /nfs/dbraw/zinc/50/47/34/1007504734.db2.gz YRVHHOWONRRPMB-UHFFFAOYSA-N 1 0 408.319 3.565 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000539226957 1007519151 /nfs/dbraw/zinc/51/91/51/1007519151.db2.gz QFWLLFMGNYKBRS-SFHVURJKSA-N 1 0 421.522 3.657 20 30 HHEDRO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000539253614 1007547169 /nfs/dbraw/zinc/54/71/69/1007547169.db2.gz VGSZQPTYFKQTTE-QFIPXVFZSA-N 1 0 407.514 3.679 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000539259274 1007554122 /nfs/dbraw/zinc/55/41/22/1007554122.db2.gz BPOUFGLVQLUUJB-RTBURBONSA-N 1 0 417.513 3.867 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)c1C#N ZINC000535503008 1007558699 /nfs/dbraw/zinc/55/86/99/1007558699.db2.gz BPHGMNKWPHXOPA-HXUWFJFHSA-N 1 0 401.514 3.788 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccccc3)s2)CC1 ZINC000517324682 1007566960 /nfs/dbraw/zinc/56/69/60/1007566960.db2.gz YATSCGPGMPGGQT-UHFFFAOYSA-N 1 0 403.577 3.992 20 30 HHEDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000533268513 1007584604 /nfs/dbraw/zinc/58/46/04/1007584604.db2.gz RGCPYHUDJJTATC-RTWAWAEBSA-N 1 0 412.578 3.567 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000533323590 1007635732 /nfs/dbraw/zinc/63/57/32/1007635732.db2.gz DCEYKPSMBIJYSI-ROUUACIJSA-N 1 0 416.591 3.504 20 30 HHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)CCc3ccc(C#N)cc3)cc2)C[C@@H]1C ZINC000539341045 1007641780 /nfs/dbraw/zinc/64/17/80/1007641780.db2.gz OCKANDOUMUONPJ-SFTDATJTSA-N 1 0 419.569 3.816 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000539360900 1007663473 /nfs/dbraw/zinc/66/34/73/1007663473.db2.gz BFKGZWSRXXDWKI-SCWSEQNSSA-N 1 0 410.514 3.615 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3nc(C)cs3)CCCC2)c(OC)c1 ZINC000533387541 1007700723 /nfs/dbraw/zinc/70/07/23/1007700723.db2.gz HXEFWRVMODLAGD-SFHVURJKSA-N 1 0 402.560 3.987 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000535685840 1007717879 /nfs/dbraw/zinc/71/78/79/1007717879.db2.gz ISKGCRPNSZEECP-UHFFFAOYSA-N 1 0 407.411 3.757 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1cccc(F)c1 ZINC000539413051 1007721018 /nfs/dbraw/zinc/72/10/18/1007721018.db2.gz UEOHRTVBFNXRAJ-HXUWFJFHSA-N 1 0 414.550 3.507 20 30 HHEDRO COCCCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000533431987 1007743950 /nfs/dbraw/zinc/74/39/50/1007743950.db2.gz TUTDFYFAQBNXTI-MRXNPFEDSA-N 1 0 419.591 3.591 20 30 HHEDRO CCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533431661 1007744071 /nfs/dbraw/zinc/74/40/71/1007744071.db2.gz UEYITUOEFFTRCO-CEWLAPEOSA-N 1 0 422.491 3.699 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000517524841 1007744863 /nfs/dbraw/zinc/74/48/63/1007744863.db2.gz IKZFNGLCFWLYSE-LPHOPBHVSA-N 1 0 416.591 3.646 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528749 1007747814 /nfs/dbraw/zinc/74/78/14/1007747814.db2.gz GKDCIYIKBSNCGY-MRXNPFEDSA-N 1 0 410.909 3.894 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000533489193 1007799400 /nfs/dbraw/zinc/79/94/00/1007799400.db2.gz QDSCOKODBMOHKB-HZPDHXFCSA-N 1 0 421.467 3.517 20 30 HHEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)C ZINC000539490949 1007802045 /nfs/dbraw/zinc/80/20/45/1007802045.db2.gz JDFNBENSMHJXBX-NFBKMPQASA-N 1 0 410.587 3.752 20 30 HHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000539491434 1007802336 /nfs/dbraw/zinc/80/23/36/1007802336.db2.gz PMEDYORBYXKHFU-HXUWFJFHSA-N 1 0 404.507 3.554 20 30 HHEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)c1ccc(C#N)cc1)CC2 ZINC000539509529 1007818596 /nfs/dbraw/zinc/81/85/96/1007818596.db2.gz FTEQOZBTUCGODE-QGZVFWFLSA-N 1 0 407.514 3.591 20 30 HHEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000539509522 1007819252 /nfs/dbraw/zinc/81/92/52/1007819252.db2.gz FTEQOZBTUCGODE-KRWDZBQOSA-N 1 0 407.514 3.591 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511460 1007829261 /nfs/dbraw/zinc/82/92/61/1007829261.db2.gz LQVYZVLXMDDIMQ-MOXWOTFGSA-N 1 0 400.542 3.798 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(OC)c1 ZINC000533512361 1007831521 /nfs/dbraw/zinc/83/15/21/1007831521.db2.gz CLSJCRMRRQQZGO-NPDDRXJXSA-N 1 0 402.579 3.501 20 30 HHEDRO CC(C)(C)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000539528568 1007836075 /nfs/dbraw/zinc/83/60/75/1007836075.db2.gz FJYWZXPKDSHYAZ-JQHMZKTJSA-N 1 0 405.506 3.936 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000517703592 1007917729 /nfs/dbraw/zinc/91/77/29/1007917729.db2.gz UGAUHJHIXWPCOF-HXUWFJFHSA-N 1 0 415.557 3.622 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000517852837 1008013567 /nfs/dbraw/zinc/01/35/67/1008013567.db2.gz DLXKJASZNVIMON-MSOLQXFVSA-N 1 0 420.513 3.526 20 30 HHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C2)CC1 ZINC000533701047 1008024367 /nfs/dbraw/zinc/02/43/67/1008024367.db2.gz OWZIXHTUPCMNJN-JOCHJYFZSA-N 1 0 403.526 3.941 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccccc1Cl ZINC000539716745 1008031340 /nfs/dbraw/zinc/03/13/40/1008031340.db2.gz MXHBWYVBOGYLGP-GOSISDBHSA-N 1 0 402.930 3.963 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1Br ZINC000536056020 1008085484 /nfs/dbraw/zinc/08/54/84/1008085484.db2.gz VZUPKRWIOKIEPD-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)CC1 ZINC000518004772 1008098245 /nfs/dbraw/zinc/09/82/45/1008098245.db2.gz WYYZSYRXEMMNCY-UHFFFAOYSA-N 1 0 407.580 3.562 20 30 HHEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000539825554 1008120306 /nfs/dbraw/zinc/12/03/06/1008120306.db2.gz VELFKLGMNOFWQS-UHFFFAOYSA-N 1 0 410.514 3.996 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)Cc1ccccc1 ZINC000533810831 1008128405 /nfs/dbraw/zinc/12/84/05/1008128405.db2.gz HKUJYPHEISQWCA-OAQYLSRUSA-N 1 0 403.482 3.633 20 30 HHEDRO Cc1cccc(C(C)C)c1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000518093772 1008155325 /nfs/dbraw/zinc/15/53/25/1008155325.db2.gz UGMMVVMAHZVFCO-UHFFFAOYSA-N 1 0 406.530 3.519 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000518159217 1008188017 /nfs/dbraw/zinc/18/80/17/1008188017.db2.gz KWCBRRGNGGISPN-QZTJIDSGSA-N 1 0 416.591 3.505 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000540099817 1008287222 /nfs/dbraw/zinc/28/72/22/1008287222.db2.gz KEMVBSQGECOSLZ-UHFFFAOYSA-N 1 0 416.481 3.772 20 30 HHEDRO COc1ccc(OC(C)C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000518578875 1008353045 /nfs/dbraw/zinc/35/30/45/1008353045.db2.gz QBLBTIYIMQKAEN-UHFFFAOYSA-N 1 0 410.518 3.950 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000518675671 1008387953 /nfs/dbraw/zinc/38/79/53/1008387953.db2.gz LJPKAMWNIYKKFS-LPHOPBHVSA-N 1 0 416.591 3.504 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540389721 1008412766 /nfs/dbraw/zinc/41/27/66/1008412766.db2.gz QQPQCFWLQZQGLM-QGZVFWFLSA-N 1 0 416.481 3.944 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)Nc1ccccc1C#N ZINC000540394850 1008414992 /nfs/dbraw/zinc/41/49/92/1008414992.db2.gz BGISQELECLDBAX-IAGOWNOFSA-N 1 0 413.481 3.883 20 30 HHEDRO N#Cc1cccc(CNC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000518754661 1008415063 /nfs/dbraw/zinc/41/50/63/1008415063.db2.gz WIEHQAZDKNVAKA-UHFFFAOYSA-N 1 0 405.502 3.694 20 30 HHEDRO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000540468458 1008443145 /nfs/dbraw/zinc/44/31/45/1008443145.db2.gz PCSVFSPFEUMQBF-DENIHFKCSA-N 1 0 410.587 3.834 20 30 HHEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849200 1008444819 /nfs/dbraw/zinc/44/48/19/1008444819.db2.gz SMHWHBWOPOUDLH-MJGOQNOKSA-N 1 0 402.420 3.693 20 30 HHEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849199 1008444851 /nfs/dbraw/zinc/44/48/51/1008444851.db2.gz SMHWHBWOPOUDLH-IEBWSBKVSA-N 1 0 402.420 3.693 20 30 HHEDRO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000540528454 1008468859 /nfs/dbraw/zinc/46/88/59/1008468859.db2.gz OUOQEGNYRUHNSQ-UHFFFAOYSA-N 1 0 421.522 3.799 20 30 HHEDRO CC(C)(CCc1ccccc1)[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000540548073 1008476475 /nfs/dbraw/zinc/47/64/75/1008476475.db2.gz ATLPQDXCLYGMNO-HSZRJFAPSA-N 1 0 422.548 3.536 20 30 HHEDRO CC[C@H](C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000540558488 1008481460 /nfs/dbraw/zinc/48/14/60/1008481460.db2.gz HMJRSMDHDKENBN-FPOVZHCZSA-N 1 0 410.587 3.758 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000519051482 1008511754 /nfs/dbraw/zinc/51/17/54/1008511754.db2.gz GWHKJORMSROLSX-HDICACEKSA-N 1 0 408.502 3.971 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000519051997 1008512005 /nfs/dbraw/zinc/51/20/05/1008512005.db2.gz DCDLOBKCXXHLCF-JOCHJYFZSA-N 1 0 408.502 3.829 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccsc1 ZINC000542960073 1008531717 /nfs/dbraw/zinc/53/17/17/1008531717.db2.gz LGSKFIAQIFZXRW-KRWDZBQOSA-N 1 0 414.922 3.883 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(Cc3cccc(C#N)c3)n2)cc1OC ZINC000545571291 1008669977 /nfs/dbraw/zinc/66/99/77/1008669977.db2.gz VTFLFSKAYYQBDC-UHFFFAOYSA-N 1 0 406.486 3.928 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000519270261 1008679278 /nfs/dbraw/zinc/67/92/78/1008679278.db2.gz DGUSUSFSDWIBEL-UHFFFAOYSA-N 1 0 414.428 3.572 20 30 HHEDRO CCN1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549117401 1008685163 /nfs/dbraw/zinc/68/51/63/1008685163.db2.gz VBZPGZCELDFGKM-ICSRJNTNSA-N 1 0 406.933 3.547 20 30 HHEDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 ZINC000549158965 1008728480 /nfs/dbraw/zinc/72/84/80/1008728480.db2.gz SHPWUMBZHMIRSY-UHFFFAOYSA-N 1 0 400.530 3.643 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1 ZINC000549164660 1008736286 /nfs/dbraw/zinc/73/62/86/1008736286.db2.gz GQMOUSNFHJCTJY-QWHCGFSZSA-N 1 0 419.266 3.841 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1 ZINC000549164661 1008736972 /nfs/dbraw/zinc/73/69/72/1008736972.db2.gz GQMOUSNFHJCTJY-STQMWFEESA-N 1 0 419.266 3.841 20 30 HHEDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000543247804 1008817275 /nfs/dbraw/zinc/81/72/75/1008817275.db2.gz JMEONHDFUQHKNU-ZWKOTPCHSA-N 1 0 412.578 3.724 20 30 HHEDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000543247803 1008817506 /nfs/dbraw/zinc/81/75/06/1008817506.db2.gz JMEONHDFUQHKNU-ROUUACIJSA-N 1 0 412.578 3.724 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000549250920 1008821845 /nfs/dbraw/zinc/82/18/45/1008821845.db2.gz KUEVXOIVFYJKHN-UHFFFAOYSA-N 1 0 424.593 3.553 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000549279744 1008850209 /nfs/dbraw/zinc/85/02/09/1008850209.db2.gz MEIURRNKVLPTPS-UHFFFAOYSA-N 1 0 417.557 3.975 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000549322666 1008900681 /nfs/dbraw/zinc/90/06/81/1008900681.db2.gz VVVUTSVFOLMVCW-UHFFFAOYSA-N 1 0 402.546 3.855 20 30 HHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549325985 1008904274 /nfs/dbraw/zinc/90/42/74/1008904274.db2.gz CZRNLFTUDPPGIK-DENIHFKCSA-N 1 0 407.562 3.843 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000519567199 1008910705 /nfs/dbraw/zinc/91/07/05/1008910705.db2.gz HNKYBSVFRJYCQT-YJBOKZPZSA-N 1 0 403.958 3.960 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000543347914 1008933388 /nfs/dbraw/zinc/93/33/88/1008933388.db2.gz VGUPIQACGCLNRX-OAQYLSRUSA-N 1 0 408.502 3.542 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1 ZINC000519674618 1008959608 /nfs/dbraw/zinc/95/96/08/1008959608.db2.gz QIAANWAACMMZAW-UHFFFAOYSA-N 1 0 408.546 3.615 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)c(F)c1 ZINC000519725128 1008979218 /nfs/dbraw/zinc/97/92/18/1008979218.db2.gz LTLKEGQQLCVJKV-UHFFFAOYSA-N 1 0 416.541 3.906 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000543447876 1009033348 /nfs/dbraw/zinc/03/33/48/1009033348.db2.gz DEJWDEMJMHNBLV-DYESRHJHSA-N 1 0 407.493 3.514 20 30 HHEDRO CN(C)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000543460798 1009046734 /nfs/dbraw/zinc/04/67/34/1009046734.db2.gz QENZEQSAPBABLC-UHFFFAOYSA-N 1 0 413.525 3.589 20 30 HHEDRO COC(=O)C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000543463397 1009050980 /nfs/dbraw/zinc/05/09/80/1009050980.db2.gz LUAXXGMINPLDJQ-SFHVURJKSA-N 1 0 417.575 3.929 20 30 HHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CCN2C2CC2)c1 ZINC000549470848 1009064739 /nfs/dbraw/zinc/06/47/39/1009064739.db2.gz DXDNPHPLGYBAPV-JTHBVZDNSA-N 1 0 415.497 3.684 20 30 HHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(C#N)cc1 ZINC000519908131 1009068479 /nfs/dbraw/zinc/06/84/79/1009068479.db2.gz IVCBKOLKCLCCKH-UHFFFAOYSA-N 1 0 404.514 3.924 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000543495839 1009084747 /nfs/dbraw/zinc/08/47/47/1009084747.db2.gz DJYCCHICERJELD-NHCUHLMSSA-N 1 0 412.509 3.650 20 30 HHEDRO CS[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1[NH+](C)C ZINC000546128274 1009153142 /nfs/dbraw/zinc/15/31/42/1009153142.db2.gz NYYCYZZPEISWHB-VXKWHMMOSA-N 1 0 424.570 3.841 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000543585544 1009189294 /nfs/dbraw/zinc/18/92/94/1009189294.db2.gz SLNKQYAGTMDTOJ-FQEVSTJZSA-N 1 0 420.557 3.854 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549645085 1009271716 /nfs/dbraw/zinc/27/17/16/1009271716.db2.gz LUGNHKFJQUFUKW-OAQYLSRUSA-N 1 0 422.621 3.975 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@H+](C)Cc1ccccc1 ZINC000543764769 1009335684 /nfs/dbraw/zinc/33/56/84/1009335684.db2.gz KJHKFUQWVPBSIT-INIZCTEOSA-N 1 0 406.465 3.525 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC2)c(F)c1 ZINC000549711605 1009341489 /nfs/dbraw/zinc/34/14/89/1009341489.db2.gz PUISKXBNIBALMD-IBGZPJMESA-N 1 0 407.489 3.703 20 30 HHEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(CSCc4ccc(C#N)cc4)n3)cn2)CC1 ZINC000546370195 1009379485 /nfs/dbraw/zinc/37/94/85/1009379485.db2.gz ZFWYKTAQGMVBEX-UHFFFAOYSA-N 1 0 420.542 3.579 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549778711 1009389078 /nfs/dbraw/zinc/38/90/78/1009389078.db2.gz PJORHPHGCZPUPS-UHFFFAOYSA-N 1 0 424.593 3.800 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3(Cc4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000549798295 1009405494 /nfs/dbraw/zinc/40/54/94/1009405494.db2.gz ZTIPKXJWBNHYFP-QFIPXVFZSA-N 1 0 407.489 3.574 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520323104 1009453113 /nfs/dbraw/zinc/45/31/13/1009453113.db2.gz QZLIOLZLWVZATO-UHFFFAOYSA-N 1 0 422.598 3.510 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H]1C ZINC000543886790 1009462632 /nfs/dbraw/zinc/46/26/32/1009462632.db2.gz QPKPYQNVROIZJX-GDBMZVCRSA-N 1 0 400.914 3.734 20 30 HHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543890225 1009468278 /nfs/dbraw/zinc/46/82/78/1009468278.db2.gz NLRLPZSEOPTJND-INIZCTEOSA-N 1 0 400.914 3.783 20 30 HHEDRO C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943198 1009537125 /nfs/dbraw/zinc/53/71/25/1009537125.db2.gz QOFQRXMRRMTALX-LJQANCHMSA-N 1 0 419.573 3.611 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000520436495 1009550757 /nfs/dbraw/zinc/55/07/57/1009550757.db2.gz KIFLXGWXQFVUFB-PMACEKPBSA-N 1 0 411.594 3.536 20 30 HHEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000520465308 1009574065 /nfs/dbraw/zinc/57/40/65/1009574065.db2.gz FNACUTKDYJWVMO-KRWDZBQOSA-N 1 0 408.502 3.526 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 ZINC000550037137 1009633306 /nfs/dbraw/zinc/63/33/06/1009633306.db2.gz MXFVTVFYYNASKD-IFMALSPDSA-N 1 0 422.577 3.554 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000520601010 1009677200 /nfs/dbraw/zinc/67/72/00/1009677200.db2.gz ZAZUCHWTERFEEC-ZWKOTPCHSA-N 1 0 418.969 3.603 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c(F)c1 ZINC000520686353 1009755632 /nfs/dbraw/zinc/75/56/32/1009755632.db2.gz QQICVUKFEOYBJU-UHFFFAOYSA-N 1 0 421.925 3.637 20 30 HHEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCC1 ZINC000546795799 1009761517 /nfs/dbraw/zinc/76/15/17/1009761517.db2.gz WMRJJXAXOVWVTF-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188970 1009791430 /nfs/dbraw/zinc/79/14/30/1009791430.db2.gz JVZCYCLDHIWBGW-UNMCSNQZSA-N 1 0 422.598 3.563 20 30 HHEDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCN2Cc2ccc(CC#N)cc2)cn1 ZINC000544191466 1009793167 /nfs/dbraw/zinc/79/31/67/1009793167.db2.gz YFXSLPXNESRUER-SANMLTNESA-N 1 0 424.552 3.611 20 30 HHEDRO CC(C)([C@H](NC(=O)COc1ccccc1C#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000544366534 1009994465 /nfs/dbraw/zinc/99/44/65/1009994465.db2.gz VCGLZKIYQYFDOB-JOCHJYFZSA-N 1 0 413.468 3.947 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC ZINC000520963321 1010009159 /nfs/dbraw/zinc/00/91/59/1010009159.db2.gz BIRZIXLGBPXCDF-QGZVFWFLSA-N 1 0 418.559 3.751 20 30 HHEDRO CN(c1ccccc1)c1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cn1 ZINC000520977237 1010019037 /nfs/dbraw/zinc/01/90/37/1010019037.db2.gz BOROCHYIOCRIRA-UHFFFAOYSA-N 1 0 413.525 3.925 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000550695085 1010106492 /nfs/dbraw/zinc/10/64/92/1010106492.db2.gz JWVOQRLKZCPIQO-GJZGRUSLSA-N 1 0 418.607 3.728 20 30 HHEDRO N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000550968973 1010286990 /nfs/dbraw/zinc/28/69/90/1010286990.db2.gz LQTJOQDVIOKURE-DEOSSOPVSA-N 1 0 402.542 3.695 20 30 HHEDRO CCC1(CNS(=O)(=O)CC2(C#N)CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000544725547 1010332556 /nfs/dbraw/zinc/33/25/56/1010332556.db2.gz IVZBXPCBGKJPBD-UHFFFAOYSA-N 1 0 403.592 3.682 20 30 HHEDRO COc1cc(-c2noc([C@@H](C)Oc3ccccc3C#N)n2)ccc1OCC[NH+](C)C ZINC000544955371 1010517961 /nfs/dbraw/zinc/51/79/61/1010517961.db2.gz OBEXYYTVJZSRDZ-OAHLLOKOSA-N 1 0 408.458 3.697 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000548299374 1010585620 /nfs/dbraw/zinc/58/56/20/1010585620.db2.gz PLVXFPIPKYCHSZ-UHFFFAOYSA-N 1 0 410.949 3.852 20 30 HHEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000548303247 1010587799 /nfs/dbraw/zinc/58/77/99/1010587799.db2.gz YEOUWERAUAUAAG-UHFFFAOYSA-N 1 0 410.949 3.539 20 30 HHEDRO Cc1c2c(nc(S[C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c1C#N)CCC2 ZINC000521799333 1010627203 /nfs/dbraw/zinc/62/72/03/1010627203.db2.gz WMNOBMLPJJFSQP-PKOBYXMFSA-N 1 0 420.582 3.622 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000521805605 1010632375 /nfs/dbraw/zinc/63/23/75/1010632375.db2.gz MGZFEEQABMJLMQ-QZTJIDSGSA-N 1 0 416.591 3.790 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccc(C#N)cc1 ZINC000521821333 1010640616 /nfs/dbraw/zinc/64/06/16/1010640616.db2.gz FAUBMTRYHQROIU-QHCPKHFHSA-N 1 0 404.558 3.659 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000545151750 1010650724 /nfs/dbraw/zinc/65/07/24/1010650724.db2.gz ZFEDGESYSDLXFK-UHFFFAOYSA-N 1 0 404.352 3.898 20 30 HHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000548823086 1010738327 /nfs/dbraw/zinc/73/83/27/1010738327.db2.gz HSVNEPYLGQBKFO-UHFFFAOYSA-N 1 0 417.557 3.621 20 30 HHEDRO C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548852491 1010744728 /nfs/dbraw/zinc/74/47/28/1010744728.db2.gz HUDLURKDRDUUNL-UHFFFAOYSA-N 1 0 419.577 3.873 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(C#N)cc1 ZINC000548931250 1010765917 /nfs/dbraw/zinc/76/59/17/1010765917.db2.gz RLINKLNJQOZOBP-MRXNPFEDSA-N 1 0 416.447 3.576 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000522286206 1010907687 /nfs/dbraw/zinc/90/76/87/1010907687.db2.gz ZPUFBJRJMIPHKM-UHFFFAOYSA-N 1 0 416.481 3.520 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000522561183 1011080559 /nfs/dbraw/zinc/08/05/59/1011080559.db2.gz IBIHEYXNRZCAHJ-FQEVSTJZSA-N 1 0 420.557 3.942 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCc2ccccc2)nc1 ZINC000522586871 1011094487 /nfs/dbraw/zinc/09/44/87/1011094487.db2.gz XCHGXOPYJBEVCX-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO Cn1ccnc1[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000540597185 1011252549 /nfs/dbraw/zinc/25/25/49/1011252549.db2.gz MQNIZAJQZWRTPV-HSZRJFAPSA-N 1 0 403.505 3.774 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000523071719 1011541970 /nfs/dbraw/zinc/54/19/70/1011541970.db2.gz LOMOUEIPSUYPQP-QGZVFWFLSA-N 1 0 424.570 3.787 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N2CCC(CC#N)CC2)ccc1Cl ZINC000541042037 1011679499 /nfs/dbraw/zinc/67/94/99/1011679499.db2.gz TYPBQFSFKMSIRD-UHFFFAOYSA-N 1 0 419.957 3.569 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000541117002 1011769194 /nfs/dbraw/zinc/76/91/94/1011769194.db2.gz IMHBIBROTHEGSN-KUNJGFBQSA-N 1 0 403.935 3.675 20 30 HHEDRO N#Cc1cccc(COc2cccc(CN3CC[NH+](CC4CCOCC4)CC3)c2)c1 ZINC000536672711 1011828980 /nfs/dbraw/zinc/82/89/80/1011828980.db2.gz IMVLPDSXGHOWFI-UHFFFAOYSA-N 1 0 405.542 3.681 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)c2)c1 ZINC000536682848 1011846258 /nfs/dbraw/zinc/84/62/58/1011846258.db2.gz NUTLKPMFVWELNF-XMMPIXPASA-N 1 0 405.542 3.824 20 30 HHEDRO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(C#N)c(F)c1 ZINC000551780137 1011941484 /nfs/dbraw/zinc/94/14/84/1011941484.db2.gz WJJKIMPWCGSYRK-LLVKDONJSA-N 1 0 400.397 3.970 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000551962605 1012034283 /nfs/dbraw/zinc/03/42/83/1012034283.db2.gz TWZBNLFMXPPMEI-SFHVURJKSA-N 1 0 403.906 3.759 20 30 HHEDRO C=CC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000552042523 1012062482 /nfs/dbraw/zinc/06/24/82/1012062482.db2.gz LETJSPJGQIKKRV-INIZCTEOSA-N 1 0 403.515 3.930 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(C#N)c1C ZINC000552058517 1012076753 /nfs/dbraw/zinc/07/67/53/1012076753.db2.gz MMLXBQBIJUFKRT-YXKWSERDSA-N 1 0 403.429 3.963 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)cc1 ZINC000552062459 1012082043 /nfs/dbraw/zinc/08/20/43/1012082043.db2.gz YAFVWPNUWUZLIS-QGZVFWFLSA-N 1 0 412.896 3.715 20 30 HHEDRO C[C@H](CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[N@H+](C)Cc1ccccc1 ZINC000552076304 1012093352 /nfs/dbraw/zinc/09/33/52/1012093352.db2.gz GDAJMXXTBMPUPW-LJQANCHMSA-N 1 0 422.548 3.941 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570267 1012112301 /nfs/dbraw/zinc/11/23/01/1012112301.db2.gz PLLJJDYFXVSYQS-VQIMIIECSA-N 1 0 401.507 3.543 20 30 HHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1c(F)cccc1C#N ZINC000552116013 1012134521 /nfs/dbraw/zinc/13/45/21/1012134521.db2.gz ZKMMRSDSQNBAKW-HXUWFJFHSA-N 1 0 417.488 3.831 20 30 HHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000523606311 1012174980 /nfs/dbraw/zinc/17/49/80/1012174980.db2.gz QEMYMETYKKGJCT-VXKWHMMOSA-N 1 0 424.541 3.802 20 30 HHEDRO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000552191692 1012203685 /nfs/dbraw/zinc/20/36/85/1012203685.db2.gz OOPQMTLAOFFYCI-WZONZLPQSA-N 1 0 402.546 3.642 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536942842 1012238647 /nfs/dbraw/zinc/23/86/47/1012238647.db2.gz XBUVUSLTBZHVGZ-VQTJNVASSA-N 1 0 408.949 3.564 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2)cc1 ZINC000552282180 1012294690 /nfs/dbraw/zinc/29/46/90/1012294690.db2.gz YQGDQXXDAJUDQA-NRFANRHFSA-N 1 0 416.504 3.529 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000552357810 1012366186 /nfs/dbraw/zinc/36/61/86/1012366186.db2.gz RULKASKDDWMBCH-FQEVSTJZSA-N 1 0 409.368 3.940 20 30 HHEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541599872 1012393154 /nfs/dbraw/zinc/39/31/54/1012393154.db2.gz RJYJDTRKWWCASI-GBESFXJTSA-N 1 0 400.542 3.703 20 30 HHEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541599596 1012394361 /nfs/dbraw/zinc/39/43/61/1012394361.db2.gz KMOWWZFJTQRJTM-HRCADAONSA-N 1 0 400.592 3.678 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000523864274 1012560728 /nfs/dbraw/zinc/56/07/28/1012560728.db2.gz LASVUUJFRYTRKN-OAHLLOKOSA-N 1 0 403.935 3.716 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000541718031 1012567980 /nfs/dbraw/zinc/56/79/80/1012567980.db2.gz BGJLMCPONZRXPR-LJQANCHMSA-N 1 0 424.545 3.838 20 30 HHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000523891466 1012596486 /nfs/dbraw/zinc/59/64/86/1012596486.db2.gz BUSYRQNUDHFRNQ-WMZHIEFXSA-N 1 0 401.551 3.545 20 30 HHEDRO CN1C(=O)C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000537306026 1012764233 /nfs/dbraw/zinc/76/42/33/1012764233.db2.gz BJKIMVWEXCTFRX-UPVQGACJSA-N 1 0 422.960 3.738 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000524071686 1012834269 /nfs/dbraw/zinc/83/42/69/1012834269.db2.gz DEQNLLSQTBKERJ-KRWDZBQOSA-N 1 0 402.564 3.657 20 30 HHEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369554 1012841760 /nfs/dbraw/zinc/84/17/60/1012841760.db2.gz SZQJHOBFHCHGBG-MOPGFXCFSA-N 1 0 406.452 3.929 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000542019860 1012912006 /nfs/dbraw/zinc/91/20/06/1012912006.db2.gz PQKFKEPQRRWMCJ-VIHQBZHPSA-N 1 0 418.626 3.666 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)C[C@H](C)O1 ZINC000537482374 1012991890 /nfs/dbraw/zinc/99/18/90/1012991890.db2.gz RLMZFZWFZGRIDX-KDURUIRLSA-N 1 0 403.526 3.781 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000537482923 1012992897 /nfs/dbraw/zinc/99/28/97/1012992897.db2.gz WKWINYLYRQKBGW-UHFFFAOYSA-N 1 0 403.526 3.892 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000524211490 1013019247 /nfs/dbraw/zinc/01/92/47/1013019247.db2.gz LHJXWNQHAMAZHX-GOTSBHOMSA-N 1 0 406.530 3.552 20 30 HHEDRO Cc1cc(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)nn1CCC#N ZINC000537515246 1013028810 /nfs/dbraw/zinc/02/88/10/1013028810.db2.gz DQIKJJQPRLFKMP-HDICACEKSA-N 1 0 408.550 3.905 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000537524835 1013041546 /nfs/dbraw/zinc/04/15/46/1013041546.db2.gz IVDMHPGQFRYDOS-QFIPXVFZSA-N 1 0 406.530 3.795 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccc(C)cc2)c1 ZINC000729669996 1071785545 /nfs/dbraw/zinc/78/55/45/1071785545.db2.gz JPVZTRFPFDOYGS-UHFFFAOYSA-O 1 0 401.508 3.523 20 30 HHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C(C)(C)C)cc1 ZINC000729669155 1071783368 /nfs/dbraw/zinc/78/33/68/1071783368.db2.gz DLNSIBWBKFCMKY-CQSZACIVSA-O 1 0 417.551 3.978 20 30 HHEDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C1 ZINC000611185925 1071810022 /nfs/dbraw/zinc/81/00/22/1071810022.db2.gz OHXJZCJQFXZTJK-SFHVURJKSA-N 1 0 413.905 3.845 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(C3OCCO3)c2)no1 ZINC001211975879 1071829884 /nfs/dbraw/zinc/82/98/84/1071829884.db2.gz RZIXNZACJRRCSR-OALUTQOASA-N 1 0 401.507 3.860 20 30 HHEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC001126744101 1071846268 /nfs/dbraw/zinc/84/62/68/1071846268.db2.gz MHUCBVCJAHNMOI-XZOQPEGZSA-N 1 0 416.481 3.725 20 30 HHEDRO Cc1cccc2nc(C3CC[NH+](C[C@@H](O)COc4ccc(CC#N)cc4)CC3)oc21 ZINC000614925923 1071988813 /nfs/dbraw/zinc/98/88/13/1071988813.db2.gz RQYPMEZYQZCJNG-HXUWFJFHSA-N 1 0 405.498 3.822 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000729808246 1072124379 /nfs/dbraw/zinc/12/43/79/1072124379.db2.gz AAEFSJALHMAABQ-QGZVFWFLSA-N 1 0 419.344 3.756 20 30 HHEDRO N=C(Nc1ncc2c(c1F)COC21CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC001168275793 1072159540 /nfs/dbraw/zinc/15/95/40/1072159540.db2.gz JSXKKJOKSHWAAX-UHFFFAOYSA-N 1 0 423.517 3.736 20 30 HHEDRO COC1CC[NH+](CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000611855928 1072156595 /nfs/dbraw/zinc/15/65/95/1072156595.db2.gz GVMJTHVPERVPAA-SFHVURJKSA-N 1 0 406.530 3.696 20 30 HHEDRO C[NH+](C)CCOc1cccc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)c1 ZINC000615131457 1072181767 /nfs/dbraw/zinc/18/17/67/1072181767.db2.gz NDSABKLOUMDPRO-NRFANRHFSA-N 1 0 403.486 3.890 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000760475982 1072384464 /nfs/dbraw/zinc/38/44/64/1072384464.db2.gz HALNLNPXBNCZKL-UHFFFAOYSA-N 1 0 410.543 3.987 20 30 HHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3OCC#N)c(C)c2)CC1 ZINC000760486155 1072391684 /nfs/dbraw/zinc/39/16/84/1072391684.db2.gz SQVDLMSNRVLAHZ-UHFFFAOYSA-N 1 0 411.481 3.822 20 30 HHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cccc21 ZINC000586816084 1072428845 /nfs/dbraw/zinc/42/88/45/1072428845.db2.gz KZVZTYAMJJBAFR-NRFANRHFSA-N 1 0 422.504 3.938 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612133015 1072434740 /nfs/dbraw/zinc/43/47/40/1072434740.db2.gz SFPQMAZXWOZBLV-DYJHZFTCSA-N 1 0 403.526 3.742 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000586791926 1072443200 /nfs/dbraw/zinc/44/32/00/1072443200.db2.gz RBZKUFIUEMUCBZ-LEWJYISDSA-N 1 0 403.448 3.651 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000586920393 1072502568 /nfs/dbraw/zinc/50/25/68/1072502568.db2.gz WWERLQHYVBBXGC-FGZHOGPDSA-N 1 0 420.532 3.552 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000586920395 1072502641 /nfs/dbraw/zinc/50/26/41/1072502641.db2.gz WWERLQHYVBBXGC-YADHBBJMSA-N 1 0 420.532 3.552 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)C2)c(F)c1 ZINC000587121271 1072511567 /nfs/dbraw/zinc/51/15/67/1072511567.db2.gz BIGJPWCIIYDBGB-NRFANRHFSA-N 1 0 412.553 3.638 20 30 HHEDRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001691597038 1072513676 /nfs/dbraw/zinc/51/36/76/1072513676.db2.gz UVEAYJYJKNAWIB-HKUYNNGSSA-N 1 0 400.596 3.789 20 30 HHEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C12CCC2 ZINC001168337005 1072514965 /nfs/dbraw/zinc/51/49/65/1072514965.db2.gz CATCZPIKYDRSMY-VQTJNVASSA-N 1 0 414.981 3.807 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC4(CCOCC4)C3)sc2C1 ZINC000571012892 1072546371 /nfs/dbraw/zinc/54/63/71/1072546371.db2.gz COWHJBBWJMZBFU-MRXNPFEDSA-N 1 0 401.576 3.966 20 30 HHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846441 1072707137 /nfs/dbraw/zinc/70/71/37/1072707137.db2.gz HOVSSPGBEXPZNF-UGKGYDQZSA-N 1 0 420.532 3.647 20 30 HHEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)c1ccco1 ZINC000571809758 1072860210 /nfs/dbraw/zinc/86/02/10/1072860210.db2.gz ZRKFDYQSCVXRTR-FQEVSTJZSA-N 1 0 420.561 3.619 20 30 HHEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554929975 1072964042 /nfs/dbraw/zinc/96/40/42/1072964042.db2.gz HAEMSFDTBIQQDX-NRFANRHFSA-N 1 0 418.501 3.750 20 30 HHEDRO N#Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cnc1C(F)(F)F ZINC000555118734 1073176181 /nfs/dbraw/zinc/17/61/81/1073176181.db2.gz SGMSECCDDYMBND-UHFFFAOYSA-N 1 0 402.420 3.888 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000555254574 1073283658 /nfs/dbraw/zinc/28/36/58/1073283658.db2.gz RASOJFSAMYNZCY-UHFFFAOYSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555240522 1073284480 /nfs/dbraw/zinc/28/44/80/1073284480.db2.gz LGGZNRWEXYNUHE-SFHVURJKSA-N 1 0 411.550 3.603 20 30 HHEDRO Cn1cc(-c2ccc(C[NH+]3CCN(c4c(C#N)cnc5ccccc54)CC3)s2)cn1 ZINC000555335182 1073348776 /nfs/dbraw/zinc/34/87/76/1073348776.db2.gz ADRSTMUITLYWLS-UHFFFAOYSA-N 1 0 414.538 3.891 20 30 HHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000589960600 1073403888 /nfs/dbraw/zinc/40/38/88/1073403888.db2.gz JUWDBLZIGDGNRP-FQEVSTJZSA-N 1 0 404.432 3.686 20 30 HHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 ZINC000555442222 1073480826 /nfs/dbraw/zinc/48/08/26/1073480826.db2.gz DRTPIOAKXFTRDB-UHFFFAOYSA-N 1 0 406.559 3.893 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000590194669 1073641158 /nfs/dbraw/zinc/64/11/58/1073641158.db2.gz CNXIFBVVRSLADF-GFCCVEGCSA-N 1 0 411.296 3.584 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000590212900 1073684720 /nfs/dbraw/zinc/68/47/20/1073684720.db2.gz JTRDTUAHSYNMOZ-OAHLLOKOSA-N 1 0 404.580 3.627 20 30 HHEDRO N#Cc1cc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cnc1C(F)(F)F ZINC000590211982 1073684791 /nfs/dbraw/zinc/68/47/91/1073684791.db2.gz GQEMTVJVTGRVCD-GOSISDBHSA-N 1 0 402.420 3.929 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1C#N ZINC000555735690 1073781612 /nfs/dbraw/zinc/78/16/12/1073781612.db2.gz YEFVYMTVZXLCJL-JOCHJYFZSA-N 1 0 408.546 3.681 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000592076601 1074688277 /nfs/dbraw/zinc/68/82/77/1074688277.db2.gz OLPOIVQMGLSYKL-UHFFFAOYSA-N 1 0 401.532 3.598 20 30 HHEDRO Oc1ccc(Br)cc1/C=N\C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760977985 1074770167 /nfs/dbraw/zinc/77/01/67/1074770167.db2.gz FUDFJPSNBQWTDI-JJUBJSHISA-N 1 0 403.320 3.865 20 30 HHEDRO COc1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(C#N)c(Cl)n1 ZINC001164413237 718880471 /nfs/dbraw/zinc/88/04/71/718880471.db2.gz FBSLSXYFZYLKSQ-LBPRGKRZSA-N 1 0 424.801 3.813 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164621891 719126341 /nfs/dbraw/zinc/12/63/41/719126341.db2.gz NMYDEJZUTPZUFY-GOEBONIOSA-N 1 0 421.854 3.727 20 30 HHEDRO N#Cc1cc2c(nc1N1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)CCCC2 ZINC001164696292 719897652 /nfs/dbraw/zinc/89/76/52/719897652.db2.gz FUUTZLFSLSVICC-UHFFFAOYSA-N 1 0 408.571 3.765 20 30 HHEDRO CCCc1cc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1Cl ZINC001164810662 720129771 /nfs/dbraw/zinc/12/97/71/720129771.db2.gz KNYTXOJBPAPUTL-SIKLNZKXSA-N 1 0 402.970 3.744 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164813622 720193833 /nfs/dbraw/zinc/19/38/33/720193833.db2.gz CRLVPGFIOTXLTQ-WZONZLPQSA-N 1 0 410.949 3.945 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001164810291 720200733 /nfs/dbraw/zinc/20/07/33/720200733.db2.gz BGVLQZKFKVBCKY-PXDATVDWSA-N 1 0 408.590 3.752 20 30 HHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1 ZINC001164721675 720338701 /nfs/dbraw/zinc/33/87/01/720338701.db2.gz CZHJSFWMTTWPSX-OEMFJLHTSA-N 1 0 410.525 3.689 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C#N)c4ccccc4n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839237 720603461 /nfs/dbraw/zinc/60/34/61/720603461.db2.gz MQLRDCUHXBUPOU-ZRCGQRJVSA-N 1 0 400.530 3.681 20 30 HHEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164906347 721535717 /nfs/dbraw/zinc/53/57/17/721535717.db2.gz JZNBZEQPGBFJKN-SJLPKXTDSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl ZINC001164906345 721536052 /nfs/dbraw/zinc/53/60/52/721536052.db2.gz JZNBZEQPGBFJKN-AEFFLSMTSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904699 721546580 /nfs/dbraw/zinc/54/65/80/721546580.db2.gz FZRRSBDRXXJMKN-RDJZCZTQSA-N 1 0 422.838 3.633 20 30 HHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[NH+](CCc4ccccn4)CC3)c12 ZINC001165056490 722020989 /nfs/dbraw/zinc/02/09/89/722020989.db2.gz YJBNEVNYCLWVCH-UHFFFAOYSA-N 1 0 409.896 3.967 20 30 HHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301419886 970918997 /nfs/dbraw/zinc/91/89/97/970918997.db2.gz DONZSLJMAKSSCH-GOSISDBHSA-N 1 0 401.470 3.973 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)cc(OC)c1 ZINC000301588598 970992993 /nfs/dbraw/zinc/99/29/93/970992993.db2.gz XQSWYVZARZZHGH-HNNXBMFYSA-N 1 0 406.408 3.676 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nc4ccccc4nc3N3CCCC3)CC2)cc1 ZINC000301694301 971030489 /nfs/dbraw/zinc/03/04/89/971030489.db2.gz AFYZPRVSVDISBS-UHFFFAOYSA-N 1 0 412.541 3.814 20 30 HHEDRO N#Cc1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)c(Br)c1 ZINC000301872843 971093985 /nfs/dbraw/zinc/09/39/85/971093985.db2.gz QJGRESWONRLPFE-UHFFFAOYSA-N 1 0 400.320 3.890 20 30 HHEDRO N#Cc1cc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000302671801 971276511 /nfs/dbraw/zinc/27/65/11/971276511.db2.gz ODDKFIOOBMVSSR-GFCCVEGCSA-N 1 0 421.486 3.559 20 30 HHEDRO N#Cc1cc(Br)ccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302888846 971373410 /nfs/dbraw/zinc/37/34/10/971373410.db2.gz ORTRJYMCGKCPTK-IBGZPJMESA-N 1 0 400.320 3.890 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)CC1 ZINC000303269430 971589678 /nfs/dbraw/zinc/58/96/78/971589678.db2.gz CAWNLPBKBDMRAU-SFHVURJKSA-N 1 0 404.986 3.814 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000303359764 971657589 /nfs/dbraw/zinc/65/75/89/971657589.db2.gz IVXUZUXQNRHSIC-LJQANCHMSA-N 1 0 422.554 3.564 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000303371430 971665989 /nfs/dbraw/zinc/66/59/89/971665989.db2.gz LAEFUYVEGHMCNP-FQEVSTJZSA-N 1 0 418.944 3.772 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000303385753 971675394 /nfs/dbraw/zinc/67/53/94/971675394.db2.gz NQYLGBNIRUDKTQ-MOPGFXCFSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000303416476 971693562 /nfs/dbraw/zinc/69/35/62/971693562.db2.gz WQENWRTWTJATTP-HXUWFJFHSA-N 1 0 422.598 3.737 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000303485115 971784038 /nfs/dbraw/zinc/78/40/38/971784038.db2.gz PBTMQYVNJJULBT-UHFFFAOYSA-N 1 0 412.921 3.565 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000303625481 971908372 /nfs/dbraw/zinc/90/83/72/971908372.db2.gz DWPFURPHZSNOBD-UHFFFAOYSA-N 1 0 417.941 3.579 20 30 HHEDRO N#Cc1cccc(COc2cccc(CNC3CC[NH+](C[C@H]4CCOC4)CC3)c2)c1 ZINC000303659740 971938512 /nfs/dbraw/zinc/93/85/12/971938512.db2.gz ATMMSTHCLSWPEE-HSZRJFAPSA-N 1 0 405.542 3.728 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303669724 971948537 /nfs/dbraw/zinc/94/85/37/971948537.db2.gz YJTYNCYTWMVHAG-SFTDATJTSA-N 1 0 414.569 3.905 20 30 HHEDRO COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)N2CCCC2)c1 ZINC000303780744 972024063 /nfs/dbraw/zinc/02/40/63/972024063.db2.gz LOKYAUCZKKDNCC-LJQANCHMSA-N 1 0 402.926 3.921 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000537627530 1013178225 /nfs/dbraw/zinc/17/82/25/1013178225.db2.gz WVAMWBSPYDPQGH-JOCHJYFZSA-N 1 0 403.526 3.972 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000303873157 972415314 /nfs/dbraw/zinc/41/53/14/972415314.db2.gz GQDACMAULVJXOZ-UHFFFAOYSA-N 1 0 402.564 3.814 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCC(C)(C)c2ccc(Br)cc2)cc1OC ZINC000303876258 972417517 /nfs/dbraw/zinc/41/75/17/972417517.db2.gz IAMLUSCEIZKPPG-UHFFFAOYSA-N 1 0 420.351 3.848 20 30 HHEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303882592 972422553 /nfs/dbraw/zinc/42/25/53/972422553.db2.gz LPFZXUIMBDVWRK-GBESFXJTSA-N 1 0 402.583 3.555 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000303891742 972431710 /nfs/dbraw/zinc/43/17/10/972431710.db2.gz NHTSKAXNDBPNDM-IBGZPJMESA-N 1 0 402.926 3.921 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007449926 961196675 /nfs/dbraw/zinc/19/66/75/961196675.db2.gz IJAHPQBMGKYLCF-UHFFFAOYSA-N 1 0 408.449 3.789 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000542308480 1013266161 /nfs/dbraw/zinc/26/61/61/1013266161.db2.gz DIPPXUCARAPTGZ-VWNXMTODSA-N 1 0 424.520 3.650 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553365963 1013304654 /nfs/dbraw/zinc/30/46/54/1013304654.db2.gz BQLITYAZZVBAOK-UWJYYQICSA-N 1 0 414.912 3.596 20 30 HHEDRO C=CCc1ccc(OCC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC000537786387 1013346884 /nfs/dbraw/zinc/34/68/84/1013346884.db2.gz GDQTZXNCGDEFMB-UHFFFAOYSA-N 1 0 423.557 3.963 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000542420232 1013371553 /nfs/dbraw/zinc/37/15/53/1013371553.db2.gz YPDUUFCWGCEKMC-NQIIRXRSSA-N 1 0 422.529 3.758 20 30 HHEDRO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000542423157 1013375569 /nfs/dbraw/zinc/37/55/69/1013375569.db2.gz SAKKBUUKMRYLJU-UHFFFAOYSA-N 1 0 414.513 3.792 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)[NH+]2CCCC2)cc1 ZINC000017911736 963241310 /nfs/dbraw/zinc/24/13/10/963241310.db2.gz LPNCJEWNGUKLLM-OAQYLSRUSA-N 1 0 418.497 3.826 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691222 963698014 /nfs/dbraw/zinc/69/80/14/963698014.db2.gz GISDSPMLEDSOKJ-KRWDZBQOSA-O 1 0 419.517 3.912 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691367 963698040 /nfs/dbraw/zinc/69/80/40/963698040.db2.gz WTAFEBGGASMNCW-QGZVFWFLSA-O 1 0 419.517 3.912 20 30 HHEDRO COc1ccc(CNC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2ccccc2)cc1 ZINC000022692801 963699336 /nfs/dbraw/zinc/69/93/36/963699336.db2.gz GTUHLOINUKBWJA-UHFFFAOYSA-O 1 0 413.469 3.990 20 30 HHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)c1C ZINC000022735174 963706141 /nfs/dbraw/zinc/70/61/41/963706141.db2.gz WUDNMFGPKOHYHF-UHFFFAOYSA-O 1 0 420.558 3.893 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)NCCOC)[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000022793898 963718199 /nfs/dbraw/zinc/71/81/99/963718199.db2.gz DWZLKZZBGZWZTO-UHFFFAOYSA-O 1 0 415.579 3.845 20 30 HHEDRO CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)CC1 ZINC000023253998 963789670 /nfs/dbraw/zinc/78/96/70/963789670.db2.gz GRYNQBMIJHBNDK-MRXNPFEDSA-N 1 0 402.608 3.737 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 ZINC000023602969 963858715 /nfs/dbraw/zinc/85/87/15/963858715.db2.gz MWRKIVKGGIMLRK-IBGZPJMESA-O 1 0 412.579 3.505 20 30 HHEDRO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000025251852 964218806 /nfs/dbraw/zinc/21/88/06/964218806.db2.gz NSOFCRYQGGTJMV-UHFFFAOYSA-N 1 0 406.493 3.861 20 30 HHEDRO CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000542533862 1013478025 /nfs/dbraw/zinc/47/80/25/1013478025.db2.gz PWFPOFQRPHYGMG-NHCUHLMSSA-N 1 0 402.970 3.621 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025540982 964301480 /nfs/dbraw/zinc/30/14/80/964301480.db2.gz SPYZETDDVBQSKJ-DEOSSOPVSA-N 1 0 421.589 3.545 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000026255456 964505860 /nfs/dbraw/zinc/50/58/60/964505860.db2.gz AGTSDZDHSNPUNB-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000051449683 964576719 /nfs/dbraw/zinc/57/67/19/964576719.db2.gz AUBCMOVTCHAIOR-ICSRJNTNSA-N 1 0 401.304 3.898 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc(CC)cc1 ZINC000027309980 964845606 /nfs/dbraw/zinc/84/56/06/964845606.db2.gz WMUZSZPTSNQOIU-UHFFFAOYSA-O 1 0 422.574 3.768 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc(C)cc1 ZINC000027309993 964845625 /nfs/dbraw/zinc/84/56/25/964845625.db2.gz VSFVAAQBACPCNI-UHFFFAOYSA-O 1 0 408.547 3.514 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1OC ZINC000027342264 964856347 /nfs/dbraw/zinc/85/63/47/964856347.db2.gz SSLQWOZBHNTBHZ-NRFANRHFSA-N 1 0 410.514 3.836 20 30 HHEDRO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCc2ccccc2C1 ZINC000052532133 964925132 /nfs/dbraw/zinc/92/51/32/964925132.db2.gz GFRGVDXKFTZKHI-GOSISDBHSA-N 1 0 415.493 3.907 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953148 965006943 /nfs/dbraw/zinc/00/69/43/965006943.db2.gz DJDGXHQGZWGTLN-RTBURBONSA-N 1 0 422.504 3.812 20 30 HHEDRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@H](O)COc4ccc(C#N)cc4)CC3)c2c1 ZINC000053073593 965055612 /nfs/dbraw/zinc/05/56/12/965055612.db2.gz JKZVRVFEYRXUSO-IBGZPJMESA-N 1 0 403.482 3.577 20 30 HHEDRO N#Cc1ccc(CN2CCCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000057140188 965307253 /nfs/dbraw/zinc/30/72/53/965307253.db2.gz VIPBEZHQHVCWTI-UHFFFAOYSA-N 1 0 416.569 3.505 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1C#N ZINC000029369047 965361100 /nfs/dbraw/zinc/36/11/00/965361100.db2.gz UDPRTLJNZSNVQE-UHFFFAOYSA-N 1 0 416.616 3.644 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000029755189 965486071 /nfs/dbraw/zinc/48/60/71/965486071.db2.gz CLDUKAFKBPVQHU-PGRDOPGGSA-N 1 0 407.514 3.678 20 30 HHEDRO C[N@H+](CCCOc1ccc(F)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000030268722 965645620 /nfs/dbraw/zinc/64/56/20/965645620.db2.gz SDDJLDFEFLIWIH-UHFFFAOYSA-N 1 0 401.507 3.977 20 30 HHEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000055083224 965750476 /nfs/dbraw/zinc/75/04/76/965750476.db2.gz FMKIQJHBMGFJPL-QFIPXVFZSA-N 1 0 418.541 3.735 20 30 HHEDRO CSc1ccccc1NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172157 965773960 /nfs/dbraw/zinc/77/39/60/965773960.db2.gz IFOGQMVYUDTIBP-SFHVURJKSA-N 1 0 408.571 3.815 20 30 HHEDRO C[NH+](C)Cc1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000031231227 965945578 /nfs/dbraw/zinc/94/55/78/965945578.db2.gz USSNGIYOYBHHEB-UHFFFAOYSA-N 1 0 419.485 3.723 20 30 HHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)cc(OC)c1OC ZINC000058991256 965983009 /nfs/dbraw/zinc/98/30/09/965983009.db2.gz DBHTWJJCBASDLJ-UHFFFAOYSA-N 1 0 400.494 3.775 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000059358250 966017396 /nfs/dbraw/zinc/01/73/96/966017396.db2.gz NDUPOPAVKHOFGK-OAQYLSRUSA-N 1 0 422.529 3.570 20 30 HHEDRO N#Cc1ccc(N2CC[NH+](CCCCOc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000060595302 966222299 /nfs/dbraw/zinc/22/22/99/966222299.db2.gz DTMUXVDLIDYRKG-UHFFFAOYSA-N 1 0 404.436 3.953 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000036684937 966439543 /nfs/dbraw/zinc/43/95/43/966439543.db2.gz JDTQUFLLZSZEAF-FDDCHVKYSA-N 1 0 407.514 3.678 20 30 HHEDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000553849473 1013654996 /nfs/dbraw/zinc/65/49/96/1013654996.db2.gz GUFONJIKVZSCQD-UHFFFAOYSA-N 1 0 410.474 3.962 20 30 HHEDRO CN(C(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000041623367 966606500 /nfs/dbraw/zinc/60/65/00/966606500.db2.gz SWYDWUAJJLNJSG-UHFFFAOYSA-N 1 0 416.591 3.550 20 30 HHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000063754028 966947076 /nfs/dbraw/zinc/94/70/76/966947076.db2.gz GRAXJPZQPOXPAX-KRWDZBQOSA-N 1 0 409.313 3.753 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000063785872 966956239 /nfs/dbraw/zinc/95/62/39/966956239.db2.gz WZVXOZRXNIYJJZ-UHFFFAOYSA-N 1 0 406.530 3.512 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000542838210 1013700296 /nfs/dbraw/zinc/70/02/96/1013700296.db2.gz LAVJXCUCENRZDU-SFHVURJKSA-N 1 0 410.453 3.681 20 30 HHEDRO COc1ccc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1OCCCC#N ZINC000064613538 967249696 /nfs/dbraw/zinc/24/96/96/967249696.db2.gz NPNBMIWVRLXFHV-UHFFFAOYSA-N 1 0 407.392 3.523 20 30 HHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000045181767 967371122 /nfs/dbraw/zinc/37/11/22/967371122.db2.gz YRFUMHOFLKOQAE-UHFFFAOYSA-N 1 0 419.573 3.822 20 30 HHEDRO C=CCc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000065175348 967400484 /nfs/dbraw/zinc/40/04/84/967400484.db2.gz HYTLPKNMABXVEE-QFIPXVFZSA-N 1 0 408.542 3.961 20 30 HHEDRO C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000045381904 967442573 /nfs/dbraw/zinc/44/25/73/967442573.db2.gz FJBNAPVUGXOERV-LJQANCHMSA-N 1 0 406.530 3.502 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045433131 967460733 /nfs/dbraw/zinc/46/07/33/967460733.db2.gz PANVHUVPQQNUQK-UHFFFAOYSA-N 1 0 403.448 3.830 20 30 HHEDRO C[C@@H](OC[C@@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086925 967657029 /nfs/dbraw/zinc/65/70/29/967657029.db2.gz ICAWFWLOMYDHHY-GCJKJVERSA-N 1 0 413.949 3.862 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000046121705 967668434 /nfs/dbraw/zinc/66/84/34/967668434.db2.gz YXFPYSZFGGFXSR-UHFFFAOYSA-N 1 0 406.574 3.722 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542899682 1013742869 /nfs/dbraw/zinc/74/28/69/1013742869.db2.gz ABTGMVQOFKTGFW-YLJYHZDGSA-N 1 0 424.570 3.969 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000046760978 967956766 /nfs/dbraw/zinc/95/67/66/967956766.db2.gz YNXVZWCUVFKLRD-SFTDATJTSA-N 1 0 411.594 3.538 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000046867470 967995682 /nfs/dbraw/zinc/99/56/82/967995682.db2.gz SKVHYLUBVROHIK-UHFFFAOYSA-N 1 0 406.574 3.905 20 30 HHEDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047234333 968098135 /nfs/dbraw/zinc/09/81/35/968098135.db2.gz LZFRYEBGBCRTBM-MRXNPFEDSA-N 1 0 412.515 3.537 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000047281112 968120021 /nfs/dbraw/zinc/12/00/21/968120021.db2.gz BDYWIWLRWNHYIF-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000048160985 968463593 /nfs/dbraw/zinc/46/35/93/968463593.db2.gz RIRXYCLQUHSCKC-UHFFFAOYSA-N 1 0 406.530 3.697 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000554142991 1013819976 /nfs/dbraw/zinc/81/99/76/1013819976.db2.gz RMZNMIZKFUNOAD-HXUWFJFHSA-N 1 0 410.905 3.668 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000065930628 968720559 /nfs/dbraw/zinc/72/05/59/968720559.db2.gz FYGGPAXDBQNHKQ-UHFFFAOYSA-N 1 0 405.546 3.538 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(F)cc1Cl ZINC000065930411 968720686 /nfs/dbraw/zinc/72/06/86/968720686.db2.gz XLUYVNVSGNJPGR-UHFFFAOYSA-N 1 0 403.885 3.710 20 30 HHEDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065931110 968721804 /nfs/dbraw/zinc/72/18/04/968721804.db2.gz RHRCDJJLMZREBC-MRXNPFEDSA-N 1 0 412.515 3.537 20 30 HHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc(OC)c1OC ZINC000065937896 968727168 /nfs/dbraw/zinc/72/71/68/968727168.db2.gz QJKOVYRBQLFEHI-UHFFFAOYSA-N 1 0 418.484 3.915 20 30 HHEDRO C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097061449 969086724 /nfs/dbraw/zinc/08/67/24/969086724.db2.gz WOFDOHFJPMKRBX-LAUBAEHRSA-N 1 0 420.582 3.703 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000097073577 969087470 /nfs/dbraw/zinc/08/74/70/969087470.db2.gz OBDJDIZVSAHCMI-HOTGVXAUSA-N 1 0 423.483 3.741 20 30 HHEDRO C[C@@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000097571496 969166146 /nfs/dbraw/zinc/16/61/46/969166146.db2.gz IJWPJRVIYXQRSQ-RBUKOAKNSA-N 1 0 420.557 3.676 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000105360014 969234114 /nfs/dbraw/zinc/23/41/14/969234114.db2.gz MCZDGAQWQVOPLN-UHFFFAOYSA-N 1 0 415.291 3.941 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]([C@H](C)CO)C2CCCC2)cc1 ZINC000554272811 1013886916 /nfs/dbraw/zinc/88/69/16/1013886916.db2.gz SYIRTTGYIPXXAA-MRXNPFEDSA-N 1 0 424.545 3.538 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000110945904 969745547 /nfs/dbraw/zinc/74/55/47/969745547.db2.gz ZBZWPZSTORRZPY-HXUWFJFHSA-N 1 0 424.570 3.728 20 30 HHEDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)n1 ZINC000110985402 969754435 /nfs/dbraw/zinc/75/44/35/969754435.db2.gz HHSJYFOPPIZDFY-CYBMUJFWSA-N 1 0 413.547 3.644 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CCC[C@H]2C[NH+]2CCCC2)sc2c1CCCCC2 ZINC000111051101 969767115 /nfs/dbraw/zinc/76/71/15/969767115.db2.gz ZWZIIRARWPZAGI-KRWDZBQOSA-N 1 0 400.592 3.777 20 30 HHEDRO N#Cc1c(F)cccc1N1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000139236161 970025525 /nfs/dbraw/zinc/02/55/25/970025525.db2.gz LELMWOKYSYQIIE-UHFFFAOYSA-N 1 0 402.473 3.994 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC ZINC000142943419 970174740 /nfs/dbraw/zinc/17/47/40/970174740.db2.gz FKDHFXIRTAQJGH-QGZVFWFLSA-N 1 0 418.559 3.751 20 30 HHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000237600984 970319884 /nfs/dbraw/zinc/31/98/84/970319884.db2.gz BWTHFPCAZZPMGT-GOSISDBHSA-N 1 0 415.497 3.984 20 30 HHEDRO N#CCCn1cc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000237833003 970377397 /nfs/dbraw/zinc/37/73/97/970377397.db2.gz JWPKVWCXWKWJBW-UHFFFAOYSA-N 1 0 415.541 3.951 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000554627801 1013992950 /nfs/dbraw/zinc/99/29/50/1013992950.db2.gz GLUUDQGYEGTNJT-XMMPIXPASA-N 1 0 419.569 3.933 20 30 HHEDRO CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000195613024 970556551 /nfs/dbraw/zinc/55/65/51/970556551.db2.gz ZGAUARKHEDNOIJ-GOSISDBHSA-N 1 0 421.545 3.682 20 30 HHEDRO CC(C)(C)N(Cc1ccccc1)C(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000255366773 970584982 /nfs/dbraw/zinc/58/49/82/970584982.db2.gz ONDCSRXKIJUHGP-UHFFFAOYSA-N 1 0 409.530 3.701 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)c2c(Cl)cccc2Cl)CC1 ZINC000303969016 972556650 /nfs/dbraw/zinc/55/66/50/972556650.db2.gz BHWZNHIMWHUKNH-UHFFFAOYSA-N 1 0 415.365 3.796 20 30 HHEDRO COc1ccc(-c2nnc(CNC(=[NH2+])N[C@@H](C)c3ccc(Cl)cc3Cl)[nH]2)cc1 ZINC000303970291 972558128 /nfs/dbraw/zinc/55/81/28/972558128.db2.gz CMRVDZCNHNKYCA-NSHDSACASA-N 1 0 419.316 3.953 20 30 HHEDRO Cc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303989332 972570625 /nfs/dbraw/zinc/57/06/25/972570625.db2.gz XLJLREPCLXNPRS-IBGZPJMESA-N 1 0 406.452 3.814 20 30 HHEDRO COc1ccc(C(=O)NCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000304517474 972602790 /nfs/dbraw/zinc/60/27/90/972602790.db2.gz ZVCOKELXPHCDKJ-UHFFFAOYSA-N 1 0 404.470 3.644 20 30 HHEDRO COc1cc(OC)cc([C@@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304758712 972605157 /nfs/dbraw/zinc/60/51/57/972605157.db2.gz QJRICYIIXKOFIO-QFIPXVFZSA-N 1 0 407.470 3.956 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCCCc2cccc(Br)c2)cc1OC ZINC000304759129 972605689 /nfs/dbraw/zinc/60/56/89/972605689.db2.gz QUPICFAHDZJKMC-UHFFFAOYSA-N 1 0 420.351 3.546 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCCc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1Cl ZINC000304809369 972607045 /nfs/dbraw/zinc/60/70/45/972607045.db2.gz VMYOILWQKRUAJC-CYBMUJFWSA-N 1 0 407.345 3.903 20 30 HHEDRO [NH2+]=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000304778262 972607079 /nfs/dbraw/zinc/60/70/79/972607079.db2.gz DWYQKLZNMUZFNC-CQSZACIVSA-N 1 0 414.815 3.561 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2OC[C@@H]2CCOC2)cc1Cl ZINC000304938178 972608436 /nfs/dbraw/zinc/60/84/36/972608436.db2.gz LCFALXONPZAMCU-OAHLLOKOSA-N 1 0 403.910 3.999 20 30 HHEDRO [NH2+]=C(NCCC1CCN(CC(F)(F)F)CC1)Nc1ccccc1OC(F)(F)F ZINC000305174591 972610102 /nfs/dbraw/zinc/61/01/02/972610102.db2.gz ANXKKNFTURMASW-UHFFFAOYSA-N 1 0 412.378 3.976 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(OC)c1OC ZINC000305170866 972610368 /nfs/dbraw/zinc/61/03/68/972610368.db2.gz ABTSHNWDLXYPMZ-UHFFFAOYSA-N 1 0 413.396 3.580 20 30 HHEDRO [NH2+]=C(NCCCC(=O)N1CCc2ccccc21)Nc1ccccc1OC(F)(F)F ZINC000305262731 972611396 /nfs/dbraw/zinc/61/13/96/972611396.db2.gz YCWJWOWNISHILU-UHFFFAOYSA-N 1 0 406.408 3.681 20 30 HHEDRO [NH2+]=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1OC(F)(F)F ZINC000305219347 972611735 /nfs/dbraw/zinc/61/17/35/972611735.db2.gz JCEDHHYEBXDTDQ-UHFFFAOYSA-N 1 0 422.451 3.721 20 30 HHEDRO CC(C)(C)c1nc(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cs1 ZINC000305708428 972613394 /nfs/dbraw/zinc/61/33/94/972613394.db2.gz IVIZICGHLJPKCZ-UHFFFAOYSA-N 1 0 400.470 3.986 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1C(F)(F)F ZINC000409543628 973000804 /nfs/dbraw/zinc/00/08/04/973000804.db2.gz GRKLCGAEVMEQRI-UHFFFAOYSA-N 1 0 423.460 3.520 20 30 HHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409665311 973122244 /nfs/dbraw/zinc/12/22/44/973122244.db2.gz LSKFVGCGVHNASP-UHFFFAOYSA-N 1 0 417.538 3.854 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1cccs1 ZINC000409734057 973208576 /nfs/dbraw/zinc/20/85/76/973208576.db2.gz NBMWEXSISJVWIE-LAUBAEHRSA-N 1 0 405.527 3.618 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409756963 973233044 /nfs/dbraw/zinc/23/30/44/973233044.db2.gz AXIOJGHFGZZOIM-QFIPXVFZSA-N 1 0 413.525 3.728 20 30 HHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409938454 973402279 /nfs/dbraw/zinc/40/22/79/973402279.db2.gz QIPFXYBIAFBEEF-QHCPKHFHSA-N 1 0 401.514 3.630 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(Oc4cnccn4)CC3)c2)c1 ZINC000425958709 974063090 /nfs/dbraw/zinc/06/30/90/974063090.db2.gz HGWYEQZWUNQAPD-UHFFFAOYSA-N 1 0 400.482 3.971 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000426068390 974191695 /nfs/dbraw/zinc/19/16/95/974191695.db2.gz BLLJDRNHDZYHEM-YADHBBJMSA-N 1 0 420.513 3.850 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000426638778 974576703 /nfs/dbraw/zinc/57/67/03/974576703.db2.gz SHVCQEGRVHGGHD-ROUUACIJSA-N 1 0 415.582 3.858 20 30 HHEDRO Cc1cccc(OCCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000426845070 974707202 /nfs/dbraw/zinc/70/72/02/974707202.db2.gz IGXNXBQLWSTSPE-UHFFFAOYSA-N 1 0 408.546 3.717 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1NC(C)=O ZINC000426985239 974800081 /nfs/dbraw/zinc/80/00/81/974800081.db2.gz WGPDHQVAGYRINA-APMMTJHUSA-N 1 0 408.502 3.961 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)nc1 ZINC000428793678 976069874 /nfs/dbraw/zinc/06/98/74/976069874.db2.gz LDKWRGBKOSESSK-AWEZNQCLSA-N 1 0 405.285 3.742 20 30 HHEDRO COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)CCC2)c1 ZINC000428793623 976069950 /nfs/dbraw/zinc/06/99/50/976069950.db2.gz KTEIFRCVIVPQHA-JOCHJYFZSA-N 1 0 407.514 3.802 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)nc1 ZINC000428799845 976077458 /nfs/dbraw/zinc/07/74/58/976077458.db2.gz BPSJVARJOICNHD-SFHVURJKSA-N 1 0 409.287 3.917 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H](C)c1ccccc1 ZINC000428851756 976139153 /nfs/dbraw/zinc/13/91/53/976139153.db2.gz RZNUJLIBPIELBJ-CTNGQTDRSA-N 1 0 410.587 3.929 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000428875771 976166172 /nfs/dbraw/zinc/16/61/72/976166172.db2.gz WYFLNMSIXLXQIY-QGZVFWFLSA-N 1 0 424.476 3.676 20 30 HHEDRO C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000429094217 976379507 /nfs/dbraw/zinc/37/95/07/976379507.db2.gz PLRWZNYEPAWYPO-ICSRJNTNSA-N 1 0 405.546 3.847 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000429134698 976421490 /nfs/dbraw/zinc/42/14/90/976421490.db2.gz RJZLSQFGDIGQFC-ZHRRBRCNSA-N 1 0 413.543 3.686 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000429222145 976515217 /nfs/dbraw/zinc/51/52/17/976515217.db2.gz PYTYMAKNSRMGLQ-HOTGVXAUSA-N 1 0 404.942 3.955 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H](C4CCC4)C3)sc2C1 ZINC000429228037 976520490 /nfs/dbraw/zinc/52/04/90/976520490.db2.gz QFXXLTITLPTIFV-RDJZCZTQSA-N 1 0 401.576 3.822 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000429492956 976751041 /nfs/dbraw/zinc/75/10/41/976751041.db2.gz QAOIKOGOGWKFTA-NRFANRHFSA-N 1 0 413.953 3.901 20 30 HHEDRO Cc1noc(C[C@H]([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c2ccccc2)n1 ZINC000429554495 976822691 /nfs/dbraw/zinc/82/26/91/976822691.db2.gz BHIHIEGZEUUDRM-QFIPXVFZSA-N 1 0 417.513 3.815 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000429810843 977084079 /nfs/dbraw/zinc/08/40/79/977084079.db2.gz CBHLXESZZTXDLK-DENIHFKCSA-N 1 0 413.525 3.857 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429872809 977148044 /nfs/dbraw/zinc/14/80/44/977148044.db2.gz YUPDAIXISVIYCX-LJQANCHMSA-N 1 0 420.513 3.540 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCC ZINC000430125673 977333142 /nfs/dbraw/zinc/33/31/42/977333142.db2.gz MPHLAKGHRUCJQO-FQEVSTJZSA-N 1 0 409.368 3.940 20 30 HHEDRO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cccc(OCCCC#N)c2)CC1 ZINC000430189403 977380800 /nfs/dbraw/zinc/38/08/00/977380800.db2.gz DQXXNSXUPBVJEH-UHFFFAOYSA-N 1 0 412.559 3.839 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1F ZINC000430273658 977439580 /nfs/dbraw/zinc/43/95/80/977439580.db2.gz OMWBYODKXACFIY-UHFFFAOYSA-N 1 0 405.477 3.594 20 30 HHEDRO N#CCCn1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1-c1ccccc1 ZINC000430295997 977455669 /nfs/dbraw/zinc/45/56/69/977455669.db2.gz RYKOQXRGWDVCAU-UGKGYDQZSA-N 1 0 403.530 3.553 20 30 HHEDRO Cc1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000430453453 977562764 /nfs/dbraw/zinc/56/27/64/977562764.db2.gz ZDZIMJJQQPVNFI-UHFFFAOYSA-N 1 0 416.485 3.770 20 30 HHEDRO C=CCN1C(=O)N(C[C@H](c2cccs2)[NH+]2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430969754 977919108 /nfs/dbraw/zinc/91/91/08/977919108.db2.gz FEGUBWFBPQDMNS-VQTJNVASSA-N 1 0 409.555 3.947 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431704489 978447657 /nfs/dbraw/zinc/44/76/57/978447657.db2.gz XXUOHYQIOBETKJ-WWPVKYPJSA-N 1 0 403.526 3.711 20 30 HHEDRO C=CCN1C(=O)N([C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431956112 978617858 /nfs/dbraw/zinc/61/78/58/978617858.db2.gz BGIYKXQPNPUVAB-HUVFLSCGSA-N 1 0 417.553 3.959 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1cccc(C#N)c1C)[NH2+][C@H](C)c1ccccc1 ZINC000431963390 978620424 /nfs/dbraw/zinc/62/04/24/978620424.db2.gz DVKNARAIDNQCTL-GOSISDBHSA-N 1 0 406.530 3.831 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000431983173 978630889 /nfs/dbraw/zinc/63/08/89/978630889.db2.gz VENCENGINYSRQC-QZTJIDSGSA-N 1 0 418.541 3.600 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000431992437 978634833 /nfs/dbraw/zinc/63/48/33/978634833.db2.gz NVDSUMBIWJQBDO-UHFFFAOYSA-N 1 0 418.541 3.886 20 30 HHEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000432020701 978649104 /nfs/dbraw/zinc/64/91/04/978649104.db2.gz QQHTYIHXXYREKA-UHFFFAOYSA-N 1 0 424.570 3.965 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000432492152 978845630 /nfs/dbraw/zinc/84/56/30/978845630.db2.gz GDESLRYBOLZCPL-GOSISDBHSA-N 1 0 406.530 3.913 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)[NH+]2CCCC2)o1 ZINC000432491991 978845741 /nfs/dbraw/zinc/84/57/41/978845741.db2.gz HQZQSNNUDRBUTM-HXUWFJFHSA-N 1 0 408.502 3.522 20 30 HHEDRO N#Cc1ccsc1N1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433118716 979081778 /nfs/dbraw/zinc/08/17/78/979081778.db2.gz YPDWGBSDYYCKJZ-OAQYLSRUSA-N 1 0 420.582 3.713 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ncc(C)s3)CC2)c(OC)c1 ZINC000433168694 979113112 /nfs/dbraw/zinc/11/31/12/979113112.db2.gz SYSLRZIWFCVNDW-LJQANCHMSA-N 1 0 402.560 3.808 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c(-c2ccncc2)n1 ZINC000433312758 979230528 /nfs/dbraw/zinc/23/05/28/979230528.db2.gz NGKJVIUNBQUZFB-HXUWFJFHSA-N 1 0 406.559 3.847 20 30 HHEDRO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CCCCC1 ZINC000433319472 979233847 /nfs/dbraw/zinc/23/38/47/979233847.db2.gz RAZDRKPDLULKRX-KRWDZBQOSA-N 1 0 404.352 3.656 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCc2nc3c(s2)CCCC3)c(-c2ccncc2)n1 ZINC000433335175 979244411 /nfs/dbraw/zinc/24/44/11/979244411.db2.gz OPNDOMSAQCRIOT-UHFFFAOYSA-N 1 0 406.559 3.916 20 30 HHEDRO N#CCCn1cc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000433341286 979250441 /nfs/dbraw/zinc/25/04/41/979250441.db2.gz RQQYGVRFSPEADZ-UHFFFAOYSA-N 1 0 418.520 3.752 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(F)ccc1Br ZINC000433999328 979747153 /nfs/dbraw/zinc/74/71/53/979747153.db2.gz MPUWYHKOSWTPJT-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000434139105 979898165 /nfs/dbraw/zinc/89/81/65/979898165.db2.gz UYKODDPISIDAST-UHFFFAOYSA-N 1 0 413.562 3.506 20 30 HHEDRO CCOC(=O)CC1([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC1 ZINC000434619007 980300594 /nfs/dbraw/zinc/30/05/94/980300594.db2.gz QBPHZESSXBIBMV-UHFFFAOYSA-N 1 0 403.548 3.683 20 30 HHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)O1 ZINC000434778755 980394567 /nfs/dbraw/zinc/39/45/67/980394567.db2.gz VEYSYALYBRQVJO-WOJBJXKFSA-N 1 0 421.541 3.756 20 30 HHEDRO N#CCCn1cc(CN2CCC[N@H+](Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000434827775 980426880 /nfs/dbraw/zinc/42/68/80/980426880.db2.gz AGFKIOMBMSIDKO-UHFFFAOYSA-N 1 0 400.530 3.567 20 30 HHEDRO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1COc2ccccc2O1 ZINC000434833411 980430858 /nfs/dbraw/zinc/43/08/58/980430858.db2.gz KSHMGYJYFCVDEF-NRFANRHFSA-N 1 0 417.513 3.911 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870148 980459029 /nfs/dbraw/zinc/45/90/29/980459029.db2.gz PJQYFTLOVIFMGY-UTKZUKDTSA-N 1 0 408.571 3.747 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H](NCc2ccccc2C[NH+]2CCCCCC2)C1=O ZINC000434870830 980459895 /nfs/dbraw/zinc/45/98/95/980459895.db2.gz UHZOKMZLBXLERX-NRFANRHFSA-N 1 0 408.571 3.891 20 30 HHEDRO CN(c1ccccc1CN1CCN([C@H](C#N)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000434985090 980550084 /nfs/dbraw/zinc/55/00/84/980550084.db2.gz FYEBOQJJGNEPPQ-AREMUKBSSA-N 1 0 417.601 3.599 20 30 HHEDRO CCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000434989381 980552791 /nfs/dbraw/zinc/55/27/91/980552791.db2.gz AFHQAIIUHFMKOR-XMMPIXPASA-N 1 0 414.557 3.955 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000435185921 980706282 /nfs/dbraw/zinc/70/62/82/980706282.db2.gz ZKSUSFBZAZHLAC-ZDUSSCGKSA-N 1 0 402.486 3.701 20 30 HHEDRO Cc1cc(NC(=O)COc2ccc(C#N)cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435281403 980757182 /nfs/dbraw/zinc/75/71/82/980757182.db2.gz WKPDECQMEBYPLP-NRFANRHFSA-N 1 0 415.497 3.528 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435375959 980825449 /nfs/dbraw/zinc/82/54/49/980825449.db2.gz XFAXVZHAWNYHTL-WIYYLYMNSA-N 1 0 415.497 3.608 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435511548 980910221 /nfs/dbraw/zinc/91/02/21/980910221.db2.gz ONFGMJHKVWYMOB-UHFFFAOYSA-N 1 0 412.578 3.761 20 30 HHEDRO Cc1cc(NC(=O)NCc2cccc(C#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435516469 980913696 /nfs/dbraw/zinc/91/36/96/980913696.db2.gz LQIXXMABPDKBJC-JOCHJYFZSA-N 1 0 414.513 3.832 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@@H](C)C1 ZINC000435544977 980932835 /nfs/dbraw/zinc/93/28/35/980932835.db2.gz HKADUTLPYKIKTL-FXAWDEMLSA-N 1 0 402.539 3.604 20 30 HHEDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000435781683 981028602 /nfs/dbraw/zinc/02/86/02/981028602.db2.gz LKTXMOUAPZVMOS-HSZRJFAPSA-N 1 0 411.509 3.612 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)CC2)cc1 ZINC000435801577 981037135 /nfs/dbraw/zinc/03/71/35/981037135.db2.gz WATJNJSGNKUYCR-TZRRMPRUSA-N 1 0 400.526 3.504 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000436270595 981278964 /nfs/dbraw/zinc/27/89/64/981278964.db2.gz NQOAXXBJMDDOTI-OXJNMPFZSA-N 1 0 406.958 3.585 20 30 HHEDRO N#Cc1ccccc1CSCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000436273178 981279842 /nfs/dbraw/zinc/27/98/42/981279842.db2.gz IPTSLAGMGFAFHG-UHFFFAOYSA-N 1 0 419.550 3.988 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000436346238 981314943 /nfs/dbraw/zinc/31/49/43/981314943.db2.gz WILVBWVDASAUMM-OAQYLSRUSA-N 1 0 404.489 3.545 20 30 HHEDRO Cn1ccc([C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccc(F)cc2)n1 ZINC000437086038 981754598 /nfs/dbraw/zinc/75/45/98/981754598.db2.gz IYMHNXWJCWHLSJ-AOMIVXANSA-N 1 0 405.477 3.895 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000437102626 981761962 /nfs/dbraw/zinc/76/19/62/981761962.db2.gz XFXCXLVLEFNGNR-RWBZWWBESA-N 1 0 417.506 3.537 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc(OC)c1OC ZINC000448468768 981808475 /nfs/dbraw/zinc/80/84/75/981808475.db2.gz VRSSAPFIMLDRND-SFHVURJKSA-N 1 0 403.567 3.600 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448519353 981845631 /nfs/dbraw/zinc/84/56/31/981845631.db2.gz DGRGOURJSRGNQV-BLNUVLEBSA-N 1 0 422.573 3.907 20 30 HHEDRO CCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460212791 981987197 /nfs/dbraw/zinc/98/71/97/981987197.db2.gz HBYOSROXKDYESI-UHFFFAOYSA-N 1 0 406.559 3.534 20 30 HHEDRO CCn1c(-c2sccc2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460251446 982028809 /nfs/dbraw/zinc/02/88/09/982028809.db2.gz LDYSOQYUGLWBNO-UHFFFAOYSA-N 1 0 406.559 3.919 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460276087 982051663 /nfs/dbraw/zinc/05/16/63/982051663.db2.gz KDFGTLPCMXUKBI-DHIUTWEWSA-N 1 0 405.542 3.915 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460286923 982062818 /nfs/dbraw/zinc/06/28/18/982062818.db2.gz XFVGIGLXWAKGIE-IBGZPJMESA-N 1 0 400.530 3.937 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460371270 982148960 /nfs/dbraw/zinc/14/89/60/982148960.db2.gz AXZYFHPPSXWTEN-SZPZYZBQSA-N 1 0 414.557 3.793 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460377562 982155648 /nfs/dbraw/zinc/15/56/48/982155648.db2.gz UIOXEVRQKYQTNQ-SIKLNZKXSA-N 1 0 417.561 3.770 20 30 HHEDRO CC[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)CC1 ZINC000460419775 982206723 /nfs/dbraw/zinc/20/67/23/982206723.db2.gz MNXBEQVOHLOUAY-UHFFFAOYSA-N 1 0 400.530 3.591 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000437721951 982318200 /nfs/dbraw/zinc/31/82/00/982318200.db2.gz IKVSVNZZDDRCLJ-VCOUNFBDSA-N 1 0 401.551 3.503 20 30 HHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460541745 982328810 /nfs/dbraw/zinc/32/88/10/982328810.db2.gz GLWLSFAFRLUTAI-IBGZPJMESA-N 1 0 401.599 3.667 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460542153 982329606 /nfs/dbraw/zinc/32/96/06/982329606.db2.gz IJJKLWXJPUOYLH-MJGOQNOKSA-N 1 0 413.566 3.705 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460548211 982334363 /nfs/dbraw/zinc/33/43/63/982334363.db2.gz YKKNAEBZGGLRQX-UHFFFAOYSA-N 1 0 406.509 3.768 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460551025 982337222 /nfs/dbraw/zinc/33/72/22/982337222.db2.gz LMXUNHPZXBHQDL-OALUTQOASA-N 1 0 413.566 3.608 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460566439 982351295 /nfs/dbraw/zinc/35/12/95/982351295.db2.gz RXUWSBKXSYAYDG-UONOGXRCSA-N 1 0 407.360 3.531 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000437881592 982432300 /nfs/dbraw/zinc/43/23/00/982432300.db2.gz LIOSMAMPJYPTAX-LJQANCHMSA-N 1 0 406.530 3.731 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000437954963 982485692 /nfs/dbraw/zinc/48/56/92/982485692.db2.gz LMMMPDQLVIBDDN-VDZJLULYSA-N 1 0 412.452 3.594 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460747422 982505789 /nfs/dbraw/zinc/50/57/89/982505789.db2.gz ROLICTVWMKTKDL-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000437984728 982506172 /nfs/dbraw/zinc/50/61/72/982506172.db2.gz HYXNCSBMNAQCBU-PKOBYXMFSA-N 1 0 424.383 3.504 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460791217 982544476 /nfs/dbraw/zinc/54/44/76/982544476.db2.gz FHTSZDWMALBEMV-NQIIRXRSSA-N 1 0 410.566 3.552 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460796178 982549146 /nfs/dbraw/zinc/54/91/46/982549146.db2.gz FNDIADONOOKYHS-WIYYLYMNSA-N 1 0 413.566 3.608 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460798824 982551298 /nfs/dbraw/zinc/55/12/98/982551298.db2.gz XNYZNNADGLXMCR-TZIWHRDSSA-N 1 0 409.578 3.711 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460800058 982552671 /nfs/dbraw/zinc/55/26/71/982552671.db2.gz QMLGUUVDTBUPPJ-UHFFFAOYSA-N 1 0 408.550 3.615 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460807228 982560670 /nfs/dbraw/zinc/56/06/70/982560670.db2.gz ZOEWLXPCPSBCRG-UHFFFAOYSA-N 1 0 413.566 3.851 20 30 HHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460937664 982675820 /nfs/dbraw/zinc/67/58/20/982675820.db2.gz OUHOBPMISZWPBM-QUCCMNQESA-N 1 0 404.562 3.989 20 30 HHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460943231 982680521 /nfs/dbraw/zinc/68/05/21/982680521.db2.gz JNSLBMCYILFDAK-QFIPXVFZSA-N 1 0 407.562 3.985 20 30 HHEDRO CC1CC[NH+](C2CCC(NC(=O)N(C)CCOCc3ccc(C#N)cc3)CC2)CC1 ZINC000460957762 982690427 /nfs/dbraw/zinc/69/04/27/982690427.db2.gz GLABBKCPPLOKFN-UHFFFAOYSA-N 1 0 412.578 3.759 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C(C)C ZINC000460993222 982713669 /nfs/dbraw/zinc/71/36/69/982713669.db2.gz MARRCNJIXTZXEO-SFHVURJKSA-N 1 0 411.502 3.541 20 30 HHEDRO COC(=O)C(C)(C)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000438463399 982815975 /nfs/dbraw/zinc/81/59/75/982815975.db2.gz VWJJLXRQBRUICX-UHFFFAOYSA-N 1 0 422.529 3.605 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461217309 982929189 /nfs/dbraw/zinc/92/91/89/982929189.db2.gz HGXUXCIUARIUNC-GOTSBHOMSA-N 1 0 405.542 3.915 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461217311 982929327 /nfs/dbraw/zinc/92/93/27/982929327.db2.gz HGXUXCIUARIUNC-XZOQPEGZSA-N 1 0 405.542 3.915 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCOCc1ccc(C#N)cc1)[NH+](C)C ZINC000461224408 982934732 /nfs/dbraw/zinc/93/47/32/982934732.db2.gz GCJAPVZXHBIIDI-XXBNENTESA-N 1 0 408.546 3.716 20 30 HHEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438661304 982979376 /nfs/dbraw/zinc/97/93/76/982979376.db2.gz QVTPOEGGKZKUQC-UHFFFAOYSA-N 1 0 400.454 3.579 20 30 HHEDRO N#Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000461443876 983109310 /nfs/dbraw/zinc/10/93/10/983109310.db2.gz CHVFZZBHPZLMRF-UHFFFAOYSA-N 1 0 401.470 4.134 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+](C)C)cc1OC ZINC000438862833 983128475 /nfs/dbraw/zinc/12/84/75/983128475.db2.gz XPBFAAJXIJMDQH-WOJBJXKFSA-N 1 0 410.518 3.651 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([C@@H]4CCCO4)CC3)sc2C1 ZINC000439292819 983348696 /nfs/dbraw/zinc/34/86/96/983348696.db2.gz IWQSZHREUJCFES-KXBFYZLASA-N 1 0 401.576 3.964 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000439636715 983479273 /nfs/dbraw/zinc/47/92/73/983479273.db2.gz DJPZATVFLBQCCS-IUKKYPGJSA-N 1 0 406.530 3.585 20 30 HHEDRO CCCc1c(NC(=O)N2CCCC23CC[NH+](C)CC3)cnn1-c1cccc(C#N)c1 ZINC000439692121 983504031 /nfs/dbraw/zinc/50/40/31/983504031.db2.gz OTKBJLDXXUDDKY-UHFFFAOYSA-N 1 0 406.534 3.789 20 30 HHEDRO Cc1nc(SCC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C#N)c(C)c1C ZINC000439769999 983531612 /nfs/dbraw/zinc/53/16/12/983531612.db2.gz WJWZCEZRPGNRQY-GOSISDBHSA-N 1 0 423.586 3.707 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)[C@H]2CCCC[C@H]12 ZINC000439979704 983603690 /nfs/dbraw/zinc/60/36/90/983603690.db2.gz MOYUVZABGIVWMC-OBQKDBCYSA-N 1 0 416.591 3.742 20 30 HHEDRO C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000440077393 983634903 /nfs/dbraw/zinc/63/49/03/983634903.db2.gz LVRQBBRIQAERDE-XMSQKQJNSA-N 1 0 423.536 3.983 20 30 HHEDRO COc1cc(NC2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)cc(OC)c1 ZINC000440541173 983789282 /nfs/dbraw/zinc/78/92/82/983789282.db2.gz QXQRFALZGCGBAR-UHFFFAOYSA-N 1 0 411.502 3.539 20 30 HHEDRO Cc1ccc2c(ncc(C#N)c2NCCN2CC[N@@H+](C)C(C)(C)C2)c1Br ZINC000440667125 983845093 /nfs/dbraw/zinc/84/50/93/983845093.db2.gz BVVQRHFHPBOHHL-UHFFFAOYSA-N 1 0 416.367 3.615 20 30 HHEDRO COc1ccc(C#N)cc1C[NH2+]C1(C(=O)Nc2ccc(OC)c(OC)c2)CCCC1 ZINC000440903725 983962279 /nfs/dbraw/zinc/96/22/79/983962279.db2.gz LHMFXDAAWACRSN-UHFFFAOYSA-N 1 0 409.486 3.625 20 30 HHEDRO N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931563 983985759 /nfs/dbraw/zinc/98/57/59/983985759.db2.gz XBQNYUFGNHTRAO-QGZVFWFLSA-N 1 0 422.510 3.589 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000441227634 984126193 /nfs/dbraw/zinc/12/61/93/984126193.db2.gz LYXKCEHEIDZJNM-IXDOHACOSA-N 1 0 401.576 3.822 20 30 HHEDRO N#Cc1c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCCC2 ZINC000441396374 984229514 /nfs/dbraw/zinc/22/95/14/984229514.db2.gz QOSZVIAJXDUFPU-OXJNMPFZSA-N 1 0 412.603 3.776 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000441856401 984502813 /nfs/dbraw/zinc/50/28/13/984502813.db2.gz SFNGSYGUDBBTQQ-LJQANCHMSA-N 1 0 409.530 3.707 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC[N@@H+]1C ZINC000442168001 984690212 /nfs/dbraw/zinc/69/02/12/984690212.db2.gz JMOOUHHXCQARNK-ZTNFWEORSA-N 1 0 424.932 3.533 20 30 HHEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3ccc(F)c(C#N)c3)c2)CC1 ZINC000442170470 984693046 /nfs/dbraw/zinc/69/30/46/984693046.db2.gz LLYIIXSWXJEYLP-UHFFFAOYSA-N 1 0 408.477 3.549 20 30 HHEDRO C=CCC[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000442310306 984807169 /nfs/dbraw/zinc/80/71/69/984807169.db2.gz UYZVBOYAAPWMRS-GOSISDBHSA-N 1 0 413.484 3.811 20 30 HHEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)C1 ZINC000442871256 985252768 /nfs/dbraw/zinc/25/27/68/985252768.db2.gz HTXZXCOYKKLCMJ-NJAFHUGGSA-N 1 0 409.315 3.537 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CC(C)(C)OC(C)(C)C2)c1C#N ZINC000442892761 985264951 /nfs/dbraw/zinc/26/49/51/985264951.db2.gz WBOVTPKDIRFNPE-UHFFFAOYSA-N 1 0 412.534 3.836 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1cccs1 ZINC000462307989 985293961 /nfs/dbraw/zinc/29/39/61/985293961.db2.gz YVCACLBPWQZIOE-RDTXWAMCSA-N 1 0 409.964 3.635 20 30 HHEDRO C[C@@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000462469133 985427644 /nfs/dbraw/zinc/42/76/44/985427644.db2.gz QLVNDJJDVNCNHL-HNNXBMFYSA-N 1 0 414.600 3.877 20 30 HHEDRO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1O ZINC000443321425 985492793 /nfs/dbraw/zinc/49/27/93/985492793.db2.gz MWNNTHZEQUMQNQ-QGZVFWFLSA-N 1 0 417.431 3.790 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1C ZINC000443384910 985542980 /nfs/dbraw/zinc/54/29/80/985542980.db2.gz KZHFCHUSQPNBKJ-YLJYHZDGSA-N 1 0 420.513 3.620 20 30 HHEDRO CC[NH+](CC)CCSCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000468018508 985671811 /nfs/dbraw/zinc/67/18/11/985671811.db2.gz QZPAQEYTLVHXQW-UHFFFAOYSA-N 1 0 410.543 3.824 20 30 HHEDRO C[C@H]([NH2+]C1(CNc2ccc(C(F)(F)F)c(C#N)n2)CCOCC1)c1ccccc1 ZINC000443508669 985680399 /nfs/dbraw/zinc/68/03/99/985680399.db2.gz JDTJACFNECMCAB-HNNXBMFYSA-N 1 0 404.436 4.284 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCC(=O)OC(C)(C)C)sc2C1 ZINC000468136476 985803035 /nfs/dbraw/zinc/80/30/35/985803035.db2.gz OYRIBURYXIUJBD-AWEZNQCLSA-N 1 0 405.564 3.737 20 30 HHEDRO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000443662862 985865059 /nfs/dbraw/zinc/86/50/59/985865059.db2.gz VZERVXABRKJOBM-GUDVDZBRSA-N 1 0 412.578 3.724 20 30 HHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468230926 985927982 /nfs/dbraw/zinc/92/79/82/985927982.db2.gz OINCQSWPLQTFAN-UHFFFAOYSA-N 1 0 401.470 3.607 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)c2ccc(F)cc2)C1 ZINC000443900376 986097734 /nfs/dbraw/zinc/09/77/34/986097734.db2.gz NHCCFHRXMMTRQF-OAQYLSRUSA-N 1 0 404.489 3.928 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000463203105 986174925 /nfs/dbraw/zinc/17/49/25/986174925.db2.gz JKADYILHQIIMJX-YTFSRNRJSA-N 1 0 413.562 3.738 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000463263342 986230832 /nfs/dbraw/zinc/23/08/32/986230832.db2.gz VILUMPIUNQZYQP-GOTSBHOMSA-N 1 0 406.530 3.552 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000444220022 986404234 /nfs/dbraw/zinc/40/42/34/986404234.db2.gz BKDJVEHWTCLKJI-IBGZPJMESA-N 1 0 408.571 3.837 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000463435842 986411526 /nfs/dbraw/zinc/41/15/26/986411526.db2.gz UZFNWGIVDLDIDT-UHFFFAOYSA-N 1 0 410.484 3.642 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463438987 986415760 /nfs/dbraw/zinc/41/57/60/986415760.db2.gz XUGHGSWRYVEFNW-YKSBVNFPSA-N 1 0 412.599 3.968 20 30 HHEDRO C[C@H]1CCc2ccccc2N1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000468726102 986439558 /nfs/dbraw/zinc/43/95/58/986439558.db2.gz UAZDLJKPTXARSC-FQEVSTJZSA-N 1 0 404.558 3.680 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000463505273 986480790 /nfs/dbraw/zinc/48/07/90/986480790.db2.gz CJJOQZXCLXVUDH-UHFFFAOYSA-N 1 0 409.530 3.650 20 30 HHEDRO N#CCCCn1cc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c2ccccc21 ZINC000444310461 986492846 /nfs/dbraw/zinc/49/28/46/986492846.db2.gz PUUQNIKWWRPHQX-FQEVSTJZSA-N 1 0 408.546 3.662 20 30 HHEDRO CCc1nc2ccc(Cl)cn2c1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000463588446 986564632 /nfs/dbraw/zinc/56/46/32/986564632.db2.gz WJIOPJFODRUQIO-UHFFFAOYSA-N 1 0 409.921 3.626 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000444398554 986577681 /nfs/dbraw/zinc/57/76/81/986577681.db2.gz UKNVKMIGKVSMMK-UHFFFAOYSA-N 1 0 404.580 3.798 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1c(F)cccc1F ZINC000468969032 986673752 /nfs/dbraw/zinc/67/37/52/986673752.db2.gz KWYIQWYYNPZJIO-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000463691389 986674374 /nfs/dbraw/zinc/67/43/74/986674374.db2.gz RBDRVVRQPNWYQO-ISKFKSNPSA-N 1 0 422.525 3.976 20 30 HHEDRO CSc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000463698200 986682020 /nfs/dbraw/zinc/68/20/20/986682020.db2.gz BOFQRZUHZKEAFW-UHFFFAOYSA-N 1 0 423.991 3.686 20 30 HHEDRO N#Cc1ccc(N2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c(Cl)c1 ZINC000444523980 986712513 /nfs/dbraw/zinc/71/25/13/986712513.db2.gz HIOJBYVORNERPP-UHFFFAOYSA-N 1 0 408.933 3.770 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469010138 986716461 /nfs/dbraw/zinc/71/64/61/986716461.db2.gz OJVBLQNECLRKCY-ZWKOTPCHSA-N 1 0 407.514 3.876 20 30 HHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469022698 986731366 /nfs/dbraw/zinc/73/13/66/986731366.db2.gz NGMWLSGVGCVFGK-HXUWFJFHSA-N 1 0 400.482 3.807 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000463772826 986763803 /nfs/dbraw/zinc/76/38/03/986763803.db2.gz AZQBYISLSUVMSL-QGZVFWFLSA-N 1 0 400.544 3.964 20 30 HHEDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444602186 986788815 /nfs/dbraw/zinc/78/88/15/986788815.db2.gz YWBLASSOLYLONT-FCHUYYIVSA-N 1 0 419.569 3.749 20 30 HHEDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677695 986859061 /nfs/dbraw/zinc/85/90/61/986859061.db2.gz UOKCVIKAVGQNFQ-PKTZIBPZSA-N 1 0 406.526 3.929 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC3CC[NH+](Cc4ccncc4)CC3)ccc21 ZINC000469199099 986923074 /nfs/dbraw/zinc/92/30/74/986923074.db2.gz ZJBZFERNOOQWBX-UHFFFAOYSA-N 1 0 403.530 3.741 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444788056 986943667 /nfs/dbraw/zinc/94/36/67/986943667.db2.gz ZWMKCVAFARLXRQ-HXUWFJFHSA-N 1 0 412.599 3.968 20 30 HHEDRO C=CC[C@@H]1[N@@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCCC1(C)C ZINC000444788361 986944024 /nfs/dbraw/zinc/94/40/24/986944024.db2.gz USDUJEMGBSRDOZ-NRFANRHFSA-N 1 0 403.611 3.741 20 30 HHEDRO COc1ccc(C2([NH2+]CC(=O)Nc3sc(C)c(C)c3C#N)CCOCC2)cc1F ZINC000444806986 986962565 /nfs/dbraw/zinc/96/25/65/986962565.db2.gz NUHZQULMDSYEJQ-UHFFFAOYSA-N 1 0 417.506 3.618 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)on2)c1 ZINC000469277976 986996973 /nfs/dbraw/zinc/99/69/73/986996973.db2.gz MVMBZPHIYOSSJI-FQEVSTJZSA-N 1 0 400.482 3.508 20 30 HHEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000469279941 986998719 /nfs/dbraw/zinc/99/87/19/986998719.db2.gz SVHOJHXZTPKNSP-LJQANCHMSA-N 1 0 417.340 3.887 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469494556 987174350 /nfs/dbraw/zinc/17/43/50/987174350.db2.gz VDCWWKOZMSLCHW-AUUYWEPGSA-N 1 0 405.420 3.763 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2Cc3cccc(Br)c3C[C@H]2CC)CC1 ZINC000445095630 987206915 /nfs/dbraw/zinc/20/69/15/987206915.db2.gz VPNYWYVCABAKGE-QGZVFWFLSA-N 1 0 406.368 3.946 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000469726000 987377117 /nfs/dbraw/zinc/37/71/17/987377117.db2.gz QXXKXFHCGGMNPA-CQSZACIVSA-N 1 0 410.345 3.925 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000469736325 987386760 /nfs/dbraw/zinc/38/67/60/987386760.db2.gz WHWGKRRCBTXTEA-MSOLQXFVSA-N 1 0 413.566 3.713 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000469769267 987420968 /nfs/dbraw/zinc/42/09/68/987420968.db2.gz ONGRWYTZWBEBDE-HNNXBMFYSA-N 1 0 409.452 3.747 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469933085 987558847 /nfs/dbraw/zinc/55/88/47/987558847.db2.gz PGXZSPQOAJHBRX-OAQYLSRUSA-N 1 0 403.526 3.942 20 30 HHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000463922744 988032013 /nfs/dbraw/zinc/03/20/13/988032013.db2.gz RFPBMIRSHWZYDB-AVRDEDQJSA-N 1 0 409.530 3.586 20 30 HHEDRO CCOC(=O)[C@](C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000470150015 988058815 /nfs/dbraw/zinc/05/88/15/988058815.db2.gz FXFYRGORKDDDEV-RUZDIDTESA-N 1 0 405.542 3.633 20 30 HHEDRO CCCCNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCCCC1 ZINC000470194450 988113572 /nfs/dbraw/zinc/11/35/72/988113572.db2.gz KKLNTSZYEIFWPM-UHFFFAOYSA-N 1 0 418.969 3.795 20 30 HHEDRO N#CCCN(C(=O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000470221692 988150825 /nfs/dbraw/zinc/15/08/25/988150825.db2.gz ZNXANEKQLRXFTI-JOCHJYFZSA-N 1 0 411.933 3.959 20 30 HHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000470232934 988168303 /nfs/dbraw/zinc/16/83/03/988168303.db2.gz IXTZRXHAANPVBF-HXUWFJFHSA-N 1 0 403.526 3.941 20 30 HHEDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C#N)cs3)C2=O)ccc1Br ZINC000464086297 988207294 /nfs/dbraw/zinc/20/72/94/988207294.db2.gz HGCHNPKEYDCZQU-QGZVFWFLSA-N 1 0 404.333 3.976 20 30 HHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470541058 988548456 /nfs/dbraw/zinc/54/84/56/988548456.db2.gz DRXOUHBLJVYOMO-HXUWFJFHSA-N 1 0 411.550 3.608 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)CC2)c1 ZINC000470552733 988565776 /nfs/dbraw/zinc/56/57/76/988565776.db2.gz ZQKCTEIAFVBGKL-RPBOFIJWSA-N 1 0 416.569 3.806 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464613329 988793184 /nfs/dbraw/zinc/79/31/84/988793184.db2.gz XUMSMNVHJJJVFA-WMZOPIPTSA-N 1 0 411.550 3.941 20 30 HHEDRO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470800028 988860846 /nfs/dbraw/zinc/86/08/46/988860846.db2.gz AUJPQJHJOCKHBB-HOTGVXAUSA-N 1 0 410.465 3.661 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470964458 989028645 /nfs/dbraw/zinc/02/86/45/989028645.db2.gz YOHAZLKRBVXTTL-AEFFLSMTSA-N 1 0 414.619 3.879 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000470980378 989044909 /nfs/dbraw/zinc/04/49/09/989044909.db2.gz XYCICTMDOGIIGW-YGOYIFOWSA-N 1 0 400.526 3.752 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000470993555 989059026 /nfs/dbraw/zinc/05/90/26/989059026.db2.gz OADVQBSAHCFGKO-RSXGOPAZSA-N 1 0 412.537 3.755 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000464826886 989064771 /nfs/dbraw/zinc/06/47/71/989064771.db2.gz GDWPIMGQASKVEN-DNQXCXABSA-N 1 0 420.532 3.636 20 30 HHEDRO N#Cc1c(NC(=O)CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sc2c1CCC2 ZINC000471004554 989072374 /nfs/dbraw/zinc/07/23/74/989072374.db2.gz CVXHPPOJRNZIOT-KDURUIRLSA-N 1 0 420.582 3.501 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000471032716 989105668 /nfs/dbraw/zinc/10/56/68/989105668.db2.gz YOBPOWIOWOJEAI-JOCHJYFZSA-N 1 0 421.589 3.627 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860789 989117232 /nfs/dbraw/zinc/11/72/32/989117232.db2.gz ZXNBCWKHCNTCKM-LMMZVOPTSA-N 1 0 410.606 3.760 20 30 HHEDRO C=CCc1ccc(OCC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000464986414 989291838 /nfs/dbraw/zinc/29/18/38/989291838.db2.gz RXPZIGOOTVGYMP-JOCHJYFZSA-N 1 0 408.542 3.783 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000464986821 989292754 /nfs/dbraw/zinc/29/27/54/989292754.db2.gz OQLDFNLJYHUTTE-OAQYLSRUSA-N 1 0 419.525 3.843 20 30 HHEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000471710666 989909150 /nfs/dbraw/zinc/90/91/50/989909150.db2.gz CPUGZGOTMSHISJ-UHFFFAOYSA-N 1 0 413.591 3.723 20 30 HHEDRO Cc1cccc2c(CCNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000466005166 991170156 /nfs/dbraw/zinc/17/01/56/991170156.db2.gz UGIRRWWCPAHGJL-UHFFFAOYSA-N 1 0 403.530 3.664 20 30 HHEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)Cc2ccccc2C1 ZINC000466022141 991190018 /nfs/dbraw/zinc/19/00/18/991190018.db2.gz ZVOVTWVSLSYDPJ-XZOQPEGZSA-N 1 0 402.542 3.567 20 30 HHEDRO COc1ccc([C@H](C)CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000466042633 991212180 /nfs/dbraw/zinc/21/21/80/991212180.db2.gz XWVUTAMFAPYCNJ-HXUWFJFHSA-N 1 0 420.557 3.978 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H]1c1cccs1 ZINC000466072579 991245755 /nfs/dbraw/zinc/24/57/55/991245755.db2.gz BRHUPRCCBVSNKM-DENIHFKCSA-N 1 0 423.586 3.534 20 30 HHEDRO Cn1cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000466416358 991707741 /nfs/dbraw/zinc/70/77/41/991707741.db2.gz ZWMKUZFIAYKBGD-UHFFFAOYSA-N 1 0 401.392 3.585 20 30 HHEDRO C[C@]1(CNC(=O)Nc2ncccc2OCCCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000466620399 991936238 /nfs/dbraw/zinc/93/62/38/991936238.db2.gz LZZDMFMEXZIQSC-HSZRJFAPSA-N 1 0 407.518 3.940 20 30 HHEDRO C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466620213 991936292 /nfs/dbraw/zinc/93/62/92/991936292.db2.gz SYXZBIIBTRKYPW-AZUAARDMSA-N 1 0 407.518 3.796 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+]2CCCC2)c1 ZINC000466626849 991942124 /nfs/dbraw/zinc/94/21/24/991942124.db2.gz KGMYMGZNNGBBKT-HXUWFJFHSA-N 1 0 423.517 3.731 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000467079866 992385736 /nfs/dbraw/zinc/38/57/36/992385736.db2.gz QYNBTSQZSVVZOR-UHFFFAOYSA-N 1 0 403.482 3.764 20 30 HHEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000467130583 992447741 /nfs/dbraw/zinc/44/77/41/992447741.db2.gz HNUOKPNPZBFHSH-UHFFFAOYSA-N 1 0 407.562 3.711 20 30 HHEDRO CC(C)C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000467165532 992483908 /nfs/dbraw/zinc/48/39/08/992483908.db2.gz MTYAXHKHRMMHPS-RTBURBONSA-N 1 0 412.578 3.724 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1C#N ZINC000467182802 992503998 /nfs/dbraw/zinc/50/39/98/992503998.db2.gz UTYHAMUMEJOGAX-QFIPXVFZSA-N 1 0 419.573 3.855 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000467430807 992729421 /nfs/dbraw/zinc/72/94/21/992729421.db2.gz SQENPTGMBVZVPP-UHFFFAOYSA-N 1 0 406.526 3.923 20 30 HHEDRO C=CCC[C@@H](O)C[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000472593625 993552626 /nfs/dbraw/zinc/55/26/26/993552626.db2.gz YXRFPYCFQILTAI-MRXNPFEDSA-N 1 0 402.432 3.622 20 30 HHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000480721965 993589867 /nfs/dbraw/zinc/58/98/67/993589867.db2.gz ONRFSNWSQRKJGP-HKUYNNGSSA-N 1 0 401.919 3.517 20 30 HHEDRO C=CCC[C@H](O)C[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000472773881 993714767 /nfs/dbraw/zinc/71/47/67/993714767.db2.gz GHJWQZPDVFAYOS-YJBOKZPZSA-N 1 0 424.467 3.761 20 30 HHEDRO N#Cc1ccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c(F)c1 ZINC000481039693 993884124 /nfs/dbraw/zinc/88/41/24/993884124.db2.gz NSLBIFRNARRLNR-UHFFFAOYSA-N 1 0 415.534 3.693 20 30 HHEDRO CC(C)C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH2+][C@@H](C)c1ccccc1 ZINC000481055274 993896868 /nfs/dbraw/zinc/89/68/68/993896868.db2.gz HMLMGEAAQUGUDS-LAUBAEHRSA-N 1 0 417.550 3.882 20 30 HHEDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH2+][C@H](C)c1ccccc1 ZINC000481055276 993897767 /nfs/dbraw/zinc/89/77/67/993897767.db2.gz HMLMGEAAQUGUDS-UTKZUKDTSA-N 1 0 417.550 3.882 20 30 HHEDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000473249266 994098071 /nfs/dbraw/zinc/09/80/71/994098071.db2.gz HDIOTGZEBKSQJN-UHFFFAOYSA-N 1 0 420.513 3.668 20 30 HHEDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000473257996 994108650 /nfs/dbraw/zinc/10/86/50/994108650.db2.gz ZEBUDXSEAVJMQH-UHFFFAOYSA-N 1 0 420.513 3.668 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473497000 994342440 /nfs/dbraw/zinc/34/24/40/994342440.db2.gz PTVZGUXBDRCFFU-CJFMBICVSA-N 1 0 403.526 3.840 20 30 HHEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000481584672 994427329 /nfs/dbraw/zinc/42/73/29/994427329.db2.gz GCDAPDJYTXFXKS-LJQANCHMSA-N 1 0 407.848 3.953 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000473659039 994546110 /nfs/dbraw/zinc/54/61/10/994546110.db2.gz JMYREMOGXRBFSC-UHFFFAOYSA-N 1 0 421.545 3.888 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(OC)c1 ZINC000481707197 994569056 /nfs/dbraw/zinc/56/90/56/994569056.db2.gz NFHBDYOABHFUGO-SQJMNOBHSA-N 1 0 409.526 3.685 20 30 HHEDRO N#Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C(N)=O)cc1 ZINC000473794415 994719198 /nfs/dbraw/zinc/71/91/98/994719198.db2.gz LAHUKUVGRWSMRA-LPHOPBHVSA-N 1 0 403.313 3.650 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000473819346 994747263 /nfs/dbraw/zinc/74/72/63/994747263.db2.gz GRYSDFWZBUGGQI-QGZVFWFLSA-N 1 0 411.377 3.912 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)CC1 ZINC000473832749 994764257 /nfs/dbraw/zinc/76/42/57/994764257.db2.gz CGEOFFPABMTAEV-UHFFFAOYSA-N 1 0 400.530 3.713 20 30 HHEDRO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481913232 994786129 /nfs/dbraw/zinc/78/61/29/994786129.db2.gz DLYXREFBNOTUJH-XMMPIXPASA-N 1 0 402.542 3.503 20 30 HHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000482009537 994914713 /nfs/dbraw/zinc/91/47/13/994914713.db2.gz UTXHBPSKMLZLRF-FOIQADDNSA-N 1 0 401.432 3.899 20 30 HHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000482009543 994914897 /nfs/dbraw/zinc/91/48/97/994914897.db2.gz UTXHBPSKMLZLRF-YWZLYKJASA-N 1 0 401.432 3.899 20 30 HHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000473987505 994974413 /nfs/dbraw/zinc/97/44/13/994974413.db2.gz OCPJTDKBVGSJDP-GOSISDBHSA-N 1 0 405.502 3.616 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000482096640 995039218 /nfs/dbraw/zinc/03/92/18/995039218.db2.gz BUSRCUWFXDGDQF-GOTSBHOMSA-N 1 0 401.510 3.693 20 30 HHEDRO C=CCOc1ccc(C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C(C)(C)C)cc1 ZINC000474161553 995145818 /nfs/dbraw/zinc/14/58/18/995145818.db2.gz VNQMPYFCBKGYOI-UHFFFAOYSA-N 1 0 407.514 3.837 20 30 HHEDRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482185550 995156291 /nfs/dbraw/zinc/15/62/91/995156291.db2.gz LCCFKXHMKZPGSG-INIZCTEOSA-N 1 0 421.010 3.880 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474206531 995202334 /nfs/dbraw/zinc/20/23/34/995202334.db2.gz PGLCCXIWXGZPKW-QHCPKHFHSA-N 1 0 409.555 3.544 20 30 HHEDRO C=CC[N@H+](Cc1ccnn1-c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000474274344 995270438 /nfs/dbraw/zinc/27/04/38/995270438.db2.gz FSFGJUSTEDWQLY-QGZVFWFLSA-N 1 0 403.465 3.736 20 30 HHEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1Oc1ccccc1 ZINC000482495062 995504862 /nfs/dbraw/zinc/50/48/62/995504862.db2.gz HARKSMOJSPGCST-ISJGIBHGSA-N 1 0 405.542 3.737 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000482528590 995537361 /nfs/dbraw/zinc/53/73/61/995537361.db2.gz GREYZTBEYITVIE-HDICACEKSA-N 1 0 418.541 3.600 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCCCCC[NH+]3CCCC3)c2)cc1 ZINC000482600204 995599791 /nfs/dbraw/zinc/59/97/91/995599791.db2.gz CHSDLDHNWCHBFR-UHFFFAOYSA-N 1 0 420.513 3.671 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000482612566 995609890 /nfs/dbraw/zinc/60/98/90/995609890.db2.gz WLGGZCOIJOCQIY-REWPJTCUSA-N 1 0 406.505 3.893 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)cc1 ZINC000474998897 995855541 /nfs/dbraw/zinc/85/55/41/995855541.db2.gz AGDPCYPGRNAZRX-HSZRJFAPSA-N 1 0 406.505 3.992 20 30 HHEDRO C=CCc1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc(OC)c1O ZINC000475098807 995920514 /nfs/dbraw/zinc/92/05/14/995920514.db2.gz COTKRQQOHZJJCH-ROUUACIJSA-N 1 0 405.539 3.630 20 30 HHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000483033727 995932268 /nfs/dbraw/zinc/93/22/68/995932268.db2.gz UWRIQFHGWILMQG-XMMPIXPASA-N 1 0 408.546 3.854 20 30 HHEDRO COc1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000483036983 995934072 /nfs/dbraw/zinc/93/40/72/995934072.db2.gz PUHZSLISGIRIIF-QHCPKHFHSA-N 1 0 422.525 3.916 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000475170567 995968831 /nfs/dbraw/zinc/96/88/31/995968831.db2.gz CCGOSFCCTOMDQT-UHFFFAOYSA-N 1 0 420.557 3.905 20 30 HHEDRO Cc1c(Br)scc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000475336756 996077111 /nfs/dbraw/zinc/07/71/11/996077111.db2.gz YYXPYPAENYKUBS-UHFFFAOYSA-N 1 0 406.349 3.895 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000483288660 996083026 /nfs/dbraw/zinc/08/30/26/996083026.db2.gz HWVYEINDEBXBAQ-OAQYLSRUSA-N 1 0 420.548 3.641 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+](CC1CC1)C1CCC1)CCCC2 ZINC000483292738 996084273 /nfs/dbraw/zinc/08/42/73/996084273.db2.gz LHRRDGUVLQODLB-LJQANCHMSA-N 1 0 410.562 3.621 20 30 HHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000475406851 996119840 /nfs/dbraw/zinc/11/98/40/996119840.db2.gz KVDLYEVTPGCBQW-DYESRHJHSA-N 1 0 408.498 3.777 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483398590 996151349 /nfs/dbraw/zinc/15/13/49/996151349.db2.gz ANMFRGPDGUBUIA-XZOQPEGZSA-N 1 0 421.566 3.789 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483482795 996209364 /nfs/dbraw/zinc/20/93/64/996209364.db2.gz KYZRXONNVTZPSL-YMPZKCBVSA-N 1 0 408.590 3.704 20 30 HHEDRO N#Cc1ccsc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483492035 996215274 /nfs/dbraw/zinc/21/52/74/996215274.db2.gz NTLKSURGNHHMDE-NHCUHLMSSA-N 1 0 408.571 3.935 20 30 HHEDRO C=CCCCCCN(C)C(=O)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000483905915 996461369 /nfs/dbraw/zinc/46/13/69/996461369.db2.gz KOPNKVVOVGQJSL-UHFFFAOYSA-N 1 0 414.594 3.669 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1F ZINC000483946030 996483151 /nfs/dbraw/zinc/48/31/51/996483151.db2.gz OJBXUJACZBKEEX-UHFFFAOYSA-N 1 0 417.282 3.706 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)ccc2Br)CC1 ZINC000476219209 996685390 /nfs/dbraw/zinc/68/53/90/996685390.db2.gz DHENRILVNVEHES-UHFFFAOYSA-N 1 0 416.157 3.982 20 30 HHEDRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)no1 ZINC000484323551 996703188 /nfs/dbraw/zinc/70/31/88/996703188.db2.gz KZYXLWZDKUGLAU-UHFFFAOYSA-N 1 0 404.470 3.875 20 30 HHEDRO CC(C)([C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000484552368 996883744 /nfs/dbraw/zinc/88/37/44/996883744.db2.gz LXNAYNPBYLMDPF-QFIPXVFZSA-N 1 0 412.484 3.980 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000476605120 997113927 /nfs/dbraw/zinc/11/39/27/997113927.db2.gz XYNLVDIMGFVADO-NRFANRHFSA-N 1 0 409.530 3.896 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000476651524 997185437 /nfs/dbraw/zinc/18/54/37/997185437.db2.gz GAEUWNLIEBLWRA-XVAXZDLZSA-N 1 0 422.529 3.978 20 30 HHEDRO N#Cc1nnc2ccccc2c1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000484831981 997198242 /nfs/dbraw/zinc/19/82/42/997198242.db2.gz VFIZOGHLJPNJNP-UHFFFAOYSA-N 1 0 401.514 3.985 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000476818209 997375357 /nfs/dbraw/zinc/37/53/57/997375357.db2.gz NDXDTVDWACJSCD-UHFFFAOYSA-N 1 0 401.551 3.887 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)c(F)c3)C2=O)cc1 ZINC000485235942 997615101 /nfs/dbraw/zinc/61/51/01/997615101.db2.gz WWSXKLVWIBOEOZ-SFHVURJKSA-N 1 0 402.267 3.745 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(F)cc(Br)c3)C2=O)cc1 ZINC000485245075 997628877 /nfs/dbraw/zinc/62/88/77/997628877.db2.gz LBGUETKAYZYDSK-GOSISDBHSA-N 1 0 402.267 3.745 20 30 HHEDRO Cc1oc(NC(=O)CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477042928 997678106 /nfs/dbraw/zinc/67/81/06/997678106.db2.gz KSKFPGXEUJMRDZ-XMMPIXPASA-N 1 0 406.530 3.695 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CC1 ZINC000485299934 997704046 /nfs/dbraw/zinc/70/40/46/997704046.db2.gz HSIZEUCAVHPVQW-UHFFFAOYSA-N 1 0 419.591 3.706 20 30 HHEDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485314092 997723693 /nfs/dbraw/zinc/72/36/93/997723693.db2.gz DXYYUXDLXADFMF-HTAPYJJXSA-N 1 0 419.529 3.934 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](Nc3ccc(CC[NH+]4CCSCC4)cc3)C2=O)cc1 ZINC000485314246 997724277 /nfs/dbraw/zinc/72/42/77/997724277.db2.gz FQLRQQHWQCFNLQ-QHCPKHFHSA-N 1 0 420.582 3.757 20 30 HHEDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)n2)CC1 ZINC000485523310 997980547 /nfs/dbraw/zinc/98/05/47/997980547.db2.gz VPZQLHZSQCBKRL-UHFFFAOYSA-N 1 0 421.530 3.713 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461263 998173716 /nfs/dbraw/zinc/17/37/16/998173716.db2.gz AWNHQUVGNQIPMM-VQTJNVASSA-N 1 0 411.498 3.729 20 30 HHEDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485804855 998273599 /nfs/dbraw/zinc/27/35/99/998273599.db2.gz JLKOXLXWQHMLRV-HKUYNNGSSA-N 1 0 407.283 3.940 20 30 HHEDRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477760691 998508424 /nfs/dbraw/zinc/50/84/24/998508424.db2.gz NNILYRBXLVOSSX-UONOGXRCSA-N 1 0 416.875 3.745 20 30 HHEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000477920638 998658350 /nfs/dbraw/zinc/65/83/50/998658350.db2.gz MPPVXFMCSVZYRC-GOEBONIOSA-N 1 0 401.370 3.547 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)c3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000486249497 998675107 /nfs/dbraw/zinc/67/51/07/998675107.db2.gz JIFXQOQNHASDOY-PBNUPURSSA-N 1 0 404.514 3.905 20 30 HHEDRO CC(C)([C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486561338 998826430 /nfs/dbraw/zinc/82/64/30/998826430.db2.gz DEDWXLZNLCHZPZ-QFIPXVFZSA-N 1 0 413.468 3.947 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000486657810 998879763 /nfs/dbraw/zinc/87/97/63/998879763.db2.gz OQKIGHHZWJBPLO-FQEVSTJZSA-N 1 0 403.526 3.803 20 30 HHEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000486805517 998947779 /nfs/dbraw/zinc/94/77/79/998947779.db2.gz VWLUJWMUDOUPFQ-UHFFFAOYSA-N 1 0 416.550 3.872 20 30 HHEDRO CCCCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000486853752 998974412 /nfs/dbraw/zinc/97/44/12/998974412.db2.gz JAFZAMZEMUFMRP-NRFANRHFSA-N 1 0 407.514 3.636 20 30 HHEDRO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br ZINC000486861801 998978785 /nfs/dbraw/zinc/97/87/85/998978785.db2.gz AQNWAGQOUUPCGH-INIZCTEOSA-N 1 0 404.333 3.581 20 30 HHEDRO N#Cc1ccc(CSCC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000486956888 999018332 /nfs/dbraw/zinc/01/83/32/999018332.db2.gz SVSIENZKBYUGOM-UHFFFAOYSA-N 1 0 422.598 3.510 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000478625411 999052093 /nfs/dbraw/zinc/05/20/93/999052093.db2.gz KIKWHCZCNMRLKG-INIZCTEOSA-N 1 0 401.561 3.905 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487277007 999121723 /nfs/dbraw/zinc/12/17/23/999121723.db2.gz YUBZWVSUQACXNS-CKUXNOBLSA-N 1 0 405.542 3.988 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487353836 999144357 /nfs/dbraw/zinc/14/43/57/999144357.db2.gz KRQSXDGZVIZGRS-DENIHFKCSA-N 1 0 421.541 3.753 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487888040 999305299 /nfs/dbraw/zinc/30/52/99/999305299.db2.gz SIIIJCMXNJRZPK-NRFANRHFSA-N 1 0 413.562 3.840 20 30 HHEDRO N#CC1(NC(=O)c2ccc(N3CCCCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479216995 999329982 /nfs/dbraw/zinc/32/99/82/999329982.db2.gz NWJJUGLDORNLND-UHFFFAOYSA-N 1 0 402.542 3.965 20 30 HHEDRO N#CC1(NC(=O)COc2ccc(F)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479236768 999338602 /nfs/dbraw/zinc/33/86/02/999338602.db2.gz BSTOHTDABMRIGH-UHFFFAOYSA-N 1 0 401.869 3.532 20 30 HHEDRO N#CC1(NC(=O)Cc2ccc(Br)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479249147 999346102 /nfs/dbraw/zinc/34/61/02/999346102.db2.gz RRLZDJKELOTNDI-UHFFFAOYSA-N 1 0 412.331 3.666 20 30 HHEDRO N#CC1(NC(=O)c2ccc(-n3cccc3)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479283858 999364703 /nfs/dbraw/zinc/36/47/03/999364703.db2.gz SDTSAZPRYDBZDI-UHFFFAOYSA-N 1 0 402.473 3.905 20 30 HHEDRO CC(C)C(=O)Nc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479315381 999380458 /nfs/dbraw/zinc/38/04/58/999380458.db2.gz WWXWTRYEDSJBSS-UHFFFAOYSA-N 1 0 404.514 3.569 20 30 HHEDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000479519490 999456982 /nfs/dbraw/zinc/45/69/82/999456982.db2.gz UCTMZQOFCYPALU-ROUUACIJSA-N 1 0 409.555 3.939 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000488478156 999501018 /nfs/dbraw/zinc/50/10/18/999501018.db2.gz AXDDKMCRRBLOCX-AUUYWEPGSA-N 1 0 403.404 3.909 20 30 HHEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000488478841 999501410 /nfs/dbraw/zinc/50/14/10/999501410.db2.gz CAAUNDFNAZWDFZ-MWTRTKDXSA-N 1 0 417.488 3.643 20 30 HHEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488481413 999502796 /nfs/dbraw/zinc/50/27/96/999502796.db2.gz QNNCCOLHZNRWNG-UZLBHIALSA-N 1 0 424.932 3.628 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000488807500 999614597 /nfs/dbraw/zinc/61/45/97/999614597.db2.gz OZWGPIBVEDIJTK-DNVCBOLYSA-N 1 0 411.468 3.827 20 30 HHEDRO C[C@H]1CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC[N@@H+](C2CCC2)C1 ZINC000488920075 999647410 /nfs/dbraw/zinc/64/74/10/999647410.db2.gz PBQVXWJYOYBEDJ-HOHBBMLPSA-N 1 0 410.562 3.764 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000480057550 999704589 /nfs/dbraw/zinc/70/45/89/999704589.db2.gz VUMCXOGFONNFBO-UHFFFAOYSA-N 1 0 409.578 3.811 20 30 HHEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000480099945 999716826 /nfs/dbraw/zinc/71/68/26/999716826.db2.gz RGHYQAXGOYPAGV-DYESRHJHSA-N 1 0 417.517 3.569 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)CC1 ZINC000489244845 999729383 /nfs/dbraw/zinc/72/93/83/999729383.db2.gz CPJMKGFNIVZHFO-UHFFFAOYSA-N 1 0 412.578 3.752 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3ccc(C#N)cc3)CC2)c1C ZINC000489482274 999775947 /nfs/dbraw/zinc/77/59/47/999775947.db2.gz KJMCUKDVXZRZNG-UHFFFAOYSA-N 1 0 407.518 3.707 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N(C)C2CC[NH+](CCC)CC2)nnc1-c1ccco1 ZINC000480664661 999854403 /nfs/dbraw/zinc/85/44/03/999854403.db2.gz ZKZAMISDXOECTH-UHFFFAOYSA-N 1 0 417.579 3.539 20 30 HHEDRO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(C#N)cc3Br)CC2)C[C@@H](C)O1 ZINC000480679244 999857297 /nfs/dbraw/zinc/85/72/97/999857297.db2.gz LXPBIPVKFZVNET-HZPDHXFCSA-N 1 0 406.368 3.642 20 30 HHEDRO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)n2)CC1 ZINC000489996445 999874874 /nfs/dbraw/zinc/87/48/74/999874874.db2.gz LIMPKJDTVSLVPW-UHFFFAOYSA-N 1 0 415.497 3.853 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](N3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)C2=O)cc1 ZINC000490016666 999878223 /nfs/dbraw/zinc/87/82/23/999878223.db2.gz ZANBDHYCAMYGDD-KNQAVFIVSA-N 1 0 405.473 3.788 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000490346253 999941833 /nfs/dbraw/zinc/94/18/33/999941833.db2.gz OCPXWSZHQOFROM-QGZVFWFLSA-N 1 0 402.608 3.951 20 30 HHEDRO COc1cc(OC)cc(OCCC[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000490597956 999982252 /nfs/dbraw/zinc/98/22/52/999982252.db2.gz PQSFJSWGHUIINN-UHFFFAOYSA-N 1 0 420.513 3.877 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490612002 999984286 /nfs/dbraw/zinc/98/42/86/999984286.db2.gz GTUBBCVPHGEPRH-UHFFFAOYSA-N 1 0 415.497 3.515 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2)cc1 ZINC000490737755 999998851 /nfs/dbraw/zinc/99/88/51/999998851.db2.gz APAABFDIXMCKES-ZEQRLZLVSA-N 1 0 419.525 3.848 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2)cc1 ZINC000490737754 999998901 /nfs/dbraw/zinc/99/89/01/999998901.db2.gz APAABFDIXMCKES-RPWUZVMVSA-N 1 0 419.525 3.848 20 30 HHEDRO C=CCN1CCC([NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CC1 ZINC000491042739 1000038472 /nfs/dbraw/zinc/03/84/72/1000038472.db2.gz XKEYPFCPPHCJHY-QFIPXVFZSA-N 1 0 420.525 3.698 20 30 HHEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491081229 1000043345 /nfs/dbraw/zinc/04/33/45/1000043345.db2.gz BOBUKXSKZNWQEX-FQEVSTJZSA-N 1 0 415.545 3.656 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493473665 1000175536 /nfs/dbraw/zinc/17/55/36/1000175536.db2.gz PYAICDBRGJYMDK-GGAORHGYSA-N 1 0 422.573 3.953 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000504478567 1000225981 /nfs/dbraw/zinc/22/59/81/1000225981.db2.gz XNEJQCIMXHYSFX-HXUWFJFHSA-N 1 0 407.514 3.830 20 30 HHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)cc1 ZINC000504492260 1000231909 /nfs/dbraw/zinc/23/19/09/1000231909.db2.gz DDTYJSKMQYAZNM-UYAOXDASSA-N 1 0 407.514 3.828 20 30 HHEDRO Cc1cc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000504548046 1000263845 /nfs/dbraw/zinc/26/38/45/1000263845.db2.gz PLJMWXLTYPJJAN-VQTJNVASSA-N 1 0 413.525 3.787 20 30 HHEDRO COc1cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)ccc1OCc1cccc(C#N)c1 ZINC000494144250 1000328397 /nfs/dbraw/zinc/32/83/97/1000328397.db2.gz FPDXTOSIYPJYSI-UHFFFAOYSA-N 1 0 401.466 3.805 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000494217934 1000369683 /nfs/dbraw/zinc/36/96/83/1000369683.db2.gz YTZARCSWTILVKI-MOPGFXCFSA-N 1 0 420.513 3.587 20 30 HHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000494252257 1000390569 /nfs/dbraw/zinc/39/05/69/1000390569.db2.gz WPQPKKJFDKWSFD-APWZRJJASA-N 1 0 405.832 3.875 20 30 HHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)c2C1 ZINC000494442481 1000494380 /nfs/dbraw/zinc/49/43/80/1000494380.db2.gz JNTQZXTXFLEGEU-UHFFFAOYSA-N 1 0 400.486 3.550 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000494454540 1000500875 /nfs/dbraw/zinc/50/08/75/1000500875.db2.gz LCYSWUAOXVZKEB-VIZSFHNOSA-N 1 0 417.933 3.937 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494470288 1000509578 /nfs/dbraw/zinc/50/95/78/1000509578.db2.gz KPTXEIYVEPETHC-KQPNJSLMSA-N 1 0 405.832 3.937 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000494475995 1000513171 /nfs/dbraw/zinc/51/31/71/1000513171.db2.gz UFOLCKZMKZXFTP-DHJUGAMNSA-N 1 0 419.468 3.561 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC(c4ccc(Br)cc4)C3)C2=O)cc1 ZINC000494480878 1000515987 /nfs/dbraw/zinc/51/59/87/1000515987.db2.gz BJSPTPQVVMHWIX-DQVLVPHSSA-N 1 0 424.342 3.957 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494586308 1000565491 /nfs/dbraw/zinc/56/54/91/1000565491.db2.gz YVBRPEWYMMZAET-LOSJGSFVSA-N 1 0 417.553 3.803 20 30 HHEDRO Cc1cc(C)n(-c2ccccc2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000505156567 1000583790 /nfs/dbraw/zinc/58/37/90/1000583790.db2.gz KOYWNKCNNNBNEE-UHFFFAOYSA-N 1 0 416.529 3.957 20 30 HHEDRO CC(C)C[NH+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(C)C ZINC000494755002 1000635964 /nfs/dbraw/zinc/63/59/64/1000635964.db2.gz AJWQKDTZXBLJQB-LJQANCHMSA-N 1 0 414.594 3.970 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000505325466 1000702860 /nfs/dbraw/zinc/70/28/60/1000702860.db2.gz IITWTTACLODLBX-QZTJIDSGSA-N 1 0 423.532 3.901 20 30 HHEDRO CC(C)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[NH+]1CCC(C)CC1 ZINC000505341501 1000712921 /nfs/dbraw/zinc/71/29/21/1000712921.db2.gz BMQIJUBVWDAWNM-QHCPKHFHSA-N 1 0 414.569 3.786 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CSc3ccc(Br)cc32)CC1 ZINC000494912473 1000727050 /nfs/dbraw/zinc/72/70/50/1000727050.db2.gz WXQOYUUAZWVLDO-INIZCTEOSA-N 1 0 410.381 3.936 20 30 HHEDRO C=CCn1c(SCCC[NH+]2CCN(c3ccccc3)CC2)nnc1-c1ccncc1 ZINC000505428972 1000766576 /nfs/dbraw/zinc/76/65/76/1000766576.db2.gz VBSDBNIWCRTLRW-UHFFFAOYSA-N 1 0 420.586 3.831 20 30 HHEDRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000495055950 1000803251 /nfs/dbraw/zinc/80/32/51/1000803251.db2.gz ASRFHCJQCQNGBT-QYZOEREBSA-N 1 0 412.578 3.867 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(F)cccc1[N+](=O)[O-] ZINC000505609032 1000932564 /nfs/dbraw/zinc/93/25/64/1000932564.db2.gz MTTFEUVYVSHRKE-UHFFFAOYSA-N 1 0 405.499 3.832 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000495445008 1001014771 /nfs/dbraw/zinc/01/47/71/1001014771.db2.gz PFEXCEGLMSJMKJ-LJQANCHMSA-N 1 0 419.635 3.664 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c(OC)c1 ZINC000496520759 1001190952 /nfs/dbraw/zinc/19/09/52/1001190952.db2.gz QXOMYBRFTNXYFB-UHFFFAOYSA-N 1 0 424.541 3.546 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000506206776 1001278561 /nfs/dbraw/zinc/27/85/61/1001278561.db2.gz MXWWWZWGQHNCRM-XMMPIXPASA-N 1 0 413.562 3.619 20 30 HHEDRO C=CCOc1ccc(CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000497346408 1001302368 /nfs/dbraw/zinc/30/23/68/1001302368.db2.gz AELNCTCINKHZGL-FQEVSTJZSA-N 1 0 423.557 3.951 20 30 HHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OCCCC#N ZINC000506272376 1001321638 /nfs/dbraw/zinc/32/16/38/1001321638.db2.gz KVDXLSDHZQKMBU-UHFFFAOYSA-N 1 0 418.541 3.957 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000497399780 1001338099 /nfs/dbraw/zinc/33/80/99/1001338099.db2.gz PCSAJSWILZUKGT-RPBOFIJWSA-N 1 0 411.505 3.965 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](c2ccccc2)C1 ZINC000497418951 1001352748 /nfs/dbraw/zinc/35/27/48/1001352748.db2.gz SKINSXWCSIATSY-RPBOFIJWSA-N 1 0 411.505 3.965 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000497704833 1001491056 /nfs/dbraw/zinc/49/10/56/1001491056.db2.gz KYIHYAJEVDMBJA-OAQYLSRUSA-N 1 0 407.514 3.679 20 30 HHEDRO COc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1OCCCC#N ZINC000506725352 1001506161 /nfs/dbraw/zinc/50/61/61/1001506161.db2.gz GWOBSGKYQPNCGQ-UHFFFAOYSA-N 1 0 405.502 3.800 20 30 HHEDRO C=CCOc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000498268077 1001743491 /nfs/dbraw/zinc/74/34/91/1001743491.db2.gz LWDAQMWJSOZYNE-KDURUIRLSA-N 1 0 424.541 3.799 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(OCCOc3ccccc3)cc2)CC1 ZINC000498294546 1001762880 /nfs/dbraw/zinc/76/28/80/1001762880.db2.gz OQVPQEMXCOHEFI-UHFFFAOYSA-N 1 0 408.542 3.844 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498831624 1002216479 /nfs/dbraw/zinc/21/64/79/1002216479.db2.gz HXYGCSWJIOKIMV-HSZRJFAPSA-N 1 0 410.606 3.994 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)CC1 ZINC000507639629 1002241090 /nfs/dbraw/zinc/24/10/90/1002241090.db2.gz XHIYQXJWCSKWNF-JNLGVIEDSA-N 1 0 403.570 3.924 20 30 HHEDRO N#Cc1ccc(Cl)c(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000507705258 1002296027 /nfs/dbraw/zinc/29/60/27/1002296027.db2.gz UHIIXIJPYLYBRB-UHFFFAOYSA-N 1 0 410.949 3.539 20 30 HHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCN1CC(F)F ZINC000498928517 1002325186 /nfs/dbraw/zinc/32/51/86/1002325186.db2.gz XWAIFNSRLLRLFL-LSDHHAIUSA-N 1 0 424.561 3.734 20 30 HHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc4c(cc3OC(F)F)OCO4)CC2)nc1 ZINC000507766127 1002332858 /nfs/dbraw/zinc/33/28/58/1002332858.db2.gz JYJYSOAQBQRLNF-UHFFFAOYSA-N 1 0 417.412 3.763 20 30 HHEDRO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000507766359 1002332950 /nfs/dbraw/zinc/33/29/50/1002332950.db2.gz LZYZDPWYTJUQCT-UHFFFAOYSA-N 1 0 403.486 3.832 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000507791965 1002347018 /nfs/dbraw/zinc/34/70/18/1002347018.db2.gz GRQMDDWZRKPYOM-QGZVFWFLSA-N 1 0 421.379 3.676 20 30 HHEDRO C=CCc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000507833274 1002375396 /nfs/dbraw/zinc/37/53/96/1002375396.db2.gz KVNAORVWNZVXPO-WIYYLYMNSA-N 1 0 400.906 3.844 20 30 HHEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507845477 1002384816 /nfs/dbraw/zinc/38/48/16/1002384816.db2.gz AVPZWTYJSSUNCH-UHFFFAOYSA-N 1 0 408.458 3.647 20 30 HHEDRO Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000507891090 1002424293 /nfs/dbraw/zinc/42/42/93/1002424293.db2.gz ZGJSURGLXNSMOH-DHIUTWEWSA-N 1 0 412.541 3.845 20 30 HHEDRO C/C=C\c1ccc(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000499053282 1002435954 /nfs/dbraw/zinc/43/59/54/1002435954.db2.gz MEHSUSFCZSUSJR-ALCCZGGFSA-N 1 0 407.514 3.569 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)cc1OCCCC#N ZINC000508030187 1002552444 /nfs/dbraw/zinc/55/24/44/1002552444.db2.gz WKQMNBHGTKRIQX-FQEVSTJZSA-N 1 0 422.529 3.932 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC000499169893 1002556466 /nfs/dbraw/zinc/55/64/66/1002556466.db2.gz VURGAOPKLAWTTK-HXUWFJFHSA-N 1 0 407.562 3.931 20 30 HHEDRO COCC1(C#N)CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000499194385 1002584144 /nfs/dbraw/zinc/58/41/44/1002584144.db2.gz VHQRAAYCOOLYMH-FPOVZHCZSA-N 1 0 400.567 3.714 20 30 HHEDRO C[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000508130130 1002661643 /nfs/dbraw/zinc/66/16/43/1002661643.db2.gz XPFXGJXHCYMHGO-LJQANCHMSA-N 1 0 418.541 3.558 20 30 HHEDRO N#CC1(CCC[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CCOCC1 ZINC000499503360 1002891785 /nfs/dbraw/zinc/89/17/85/1002891785.db2.gz NNLXKVCHRCUJFP-UHFFFAOYSA-N 1 0 404.942 3.980 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C[C@H]1C ZINC000499589735 1002965339 /nfs/dbraw/zinc/96/53/39/1002965339.db2.gz CPGHGVNTFKUYGB-ZIAGYGMSSA-N 1 0 416.576 3.648 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000499596222 1002971994 /nfs/dbraw/zinc/97/19/94/1002971994.db2.gz OKIDJFDWAGKJLX-HXUWFJFHSA-N 1 0 407.562 3.931 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508489313 1002972156 /nfs/dbraw/zinc/97/21/56/1002972156.db2.gz NEOLCIBHTQEVCE-FKBYEOEOSA-N 1 0 407.562 3.774 20 30 HHEDRO Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000508521341 1003001212 /nfs/dbraw/zinc/00/12/12/1003001212.db2.gz OGHBIXGQPOZRQI-UHFFFAOYSA-N 1 0 400.530 3.702 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)cc1 ZINC000508541156 1003017158 /nfs/dbraw/zinc/01/71/58/1003017158.db2.gz KNMFGCIGQGNOBX-UHFFFAOYSA-N 1 0 421.516 3.766 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000499754222 1003096249 /nfs/dbraw/zinc/09/62/49/1003096249.db2.gz DTSLYSAIERQKBA-OAHLLOKOSA-N 1 0 406.368 3.946 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H]2CCCC[C@H]12 ZINC000508658530 1003100787 /nfs/dbraw/zinc/10/07/87/1003100787.db2.gz RLWJHTKWHYPNIA-AFDCHOCNSA-N 1 0 416.610 3.513 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000499773107 1003110801 /nfs/dbraw/zinc/11/08/01/1003110801.db2.gz NIEGIZOUXIRCHE-UHFFFAOYSA-N 1 0 421.545 3.548 20 30 HHEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508748932 1003184591 /nfs/dbraw/zinc/18/45/91/1003184591.db2.gz TUZPGFKCPXSGLI-GCJKJVERSA-N 1 0 423.561 3.505 20 30 HHEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508792326 1003220624 /nfs/dbraw/zinc/22/06/24/1003220624.db2.gz DLACFTNMOZRLDM-YADHBBJMSA-N 1 0 416.573 3.961 20 30 HHEDRO CCC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000499890819 1003226187 /nfs/dbraw/zinc/22/61/87/1003226187.db2.gz AKJZHTQKBLCKGJ-QZTJIDSGSA-N 1 0 404.580 3.903 20 30 HHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508812338 1003237495 /nfs/dbraw/zinc/23/74/95/1003237495.db2.gz KQACAKUVZNHJFC-PMACEKPBSA-N 1 0 409.578 3.765 20 30 HHEDRO C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508812398 1003237790 /nfs/dbraw/zinc/23/77/90/1003237790.db2.gz KWQMOZKZCBZEEM-UHFFFAOYSA-N 1 0 417.561 3.629 20 30 HHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508816468 1003241243 /nfs/dbraw/zinc/24/12/43/1003241243.db2.gz ITZJOAJKUUJDKK-QFIPXVFZSA-N 1 0 412.541 3.961 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508817285 1003242201 /nfs/dbraw/zinc/24/22/01/1003242201.db2.gz NATKHKAOOUSMHG-OAHLLOKOSA-N 1 0 419.932 3.613 20 30 HHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000508827110 1003249927 /nfs/dbraw/zinc/24/99/27/1003249927.db2.gz PWWRRWKQSYIKHU-OAQYLSRUSA-N 1 0 401.599 3.526 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508850295 1003271059 /nfs/dbraw/zinc/27/10/59/1003271059.db2.gz UWGOJVOZMXVUSW-GOSISDBHSA-N 1 0 411.550 3.535 20 30 HHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508876062 1003296632 /nfs/dbraw/zinc/29/66/32/1003296632.db2.gz WNSGKYLFFPVIIC-WOJBJXKFSA-N 1 0 424.593 3.550 20 30 HHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508886755 1003312633 /nfs/dbraw/zinc/31/26/33/1003312633.db2.gz DSVZRWQZEYKXQT-JOCHJYFZSA-N 1 0 412.541 3.961 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[NH+](C)C ZINC000508898440 1003331153 /nfs/dbraw/zinc/33/11/53/1003331153.db2.gz QCRRZBNCXSYNQC-YSZBQJHXSA-N 1 0 406.530 3.641 20 30 HHEDRO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500008721 1003332886 /nfs/dbraw/zinc/33/28/86/1003332886.db2.gz VDJFVOVVYBZXHS-NQIIRXRSSA-N 1 0 407.514 3.630 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508913550 1003352968 /nfs/dbraw/zinc/35/29/68/1003352968.db2.gz PIJDEUFFLBTZFZ-WIYYLYMNSA-N 1 0 413.566 3.779 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508920237 1003357847 /nfs/dbraw/zinc/35/78/47/1003357847.db2.gz JCKANCMXSAEWJL-GOSISDBHSA-N 1 0 405.550 3.689 20 30 HHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508929245 1003373975 /nfs/dbraw/zinc/37/39/75/1003373975.db2.gz HAVLYTPIZSUMMW-UHFFFAOYSA-N 1 0 409.578 3.972 20 30 HHEDRO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508935693 1003381533 /nfs/dbraw/zinc/38/15/33/1003381533.db2.gz OLIYKPFPTSFIMR-PXNSSMCTSA-N 1 0 423.561 3.601 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508938285 1003387931 /nfs/dbraw/zinc/38/79/31/1003387931.db2.gz IMQKDPTXGFBZFO-GOSISDBHSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(CCc2ccco2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508951714 1003407624 /nfs/dbraw/zinc/40/76/24/1003407624.db2.gz NMSMHVIXKUMISP-OAQYLSRUSA-N 1 0 405.546 3.801 20 30 HHEDRO C=CCC[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000500095816 1003457900 /nfs/dbraw/zinc/45/79/00/1003457900.db2.gz FEAHUVAQXNZVDT-GJYPPUQNSA-N 1 0 413.484 3.809 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000509014126 1003485667 /nfs/dbraw/zinc/48/56/67/1003485667.db2.gz RHACBAREDYIRLI-UHFFFAOYSA-N 1 0 417.557 3.546 20 30 HHEDRO Cc1nc(COc2ccc(C[N@@H+]3CCCN(c4ccccc4C#N)CC3)cc2)no1 ZINC000509097931 1003550321 /nfs/dbraw/zinc/55/03/21/1003550321.db2.gz KHUVFUYFDQNKKL-UHFFFAOYSA-N 1 0 403.486 3.541 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000509352261 1003782158 /nfs/dbraw/zinc/78/21/58/1003782158.db2.gz XJYFKEDORVTLMB-BGYRXZFFSA-N 1 0 415.578 3.672 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512211747 1004113017 /nfs/dbraw/zinc/11/30/17/1004113017.db2.gz KPGWWWZKWIKNCO-HRAATJIYSA-N 1 0 423.536 3.602 20 30 HHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000501032016 1004135715 /nfs/dbraw/zinc/13/57/15/1004135715.db2.gz OHBWZPXZQRWWNE-HXUWFJFHSA-N 1 0 416.367 3.698 20 30 HHEDRO Cc1nccn1CCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501046175 1004147533 /nfs/dbraw/zinc/14/75/33/1004147533.db2.gz LLYPTLGDNPPQEU-HXUWFJFHSA-N 1 0 416.367 3.617 20 30 HHEDRO CC(C)(COc1ncccc1Br)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000501076954 1004182294 /nfs/dbraw/zinc/18/22/94/1004182294.db2.gz HSEUTDHOQVWFRH-UHFFFAOYSA-N 1 0 423.336 3.553 20 30 HHEDRO Cn1cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000501145920 1004234650 /nfs/dbraw/zinc/23/46/50/1004234650.db2.gz VOKUZHJPCQSHKH-QFIPXVFZSA-N 1 0 417.557 3.573 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512446829 1004308557 /nfs/dbraw/zinc/30/85/57/1004308557.db2.gz HSWQNICFQMYXEH-UONOGXRCSA-N 1 0 415.481 3.508 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510089696 1004315192 /nfs/dbraw/zinc/31/51/92/1004315192.db2.gz UIYDNGWTPJZHFR-XXBNENTESA-N 1 0 421.589 3.763 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512459969 1004318917 /nfs/dbraw/zinc/31/89/17/1004318917.db2.gz MQKGXKULLRXVIQ-UKRRQHHQSA-N 1 0 415.481 3.508 20 30 HHEDRO CC(C)n1ncc2cc(CN3CCN(c4c(C#N)cnc5ccccc54)CC3)cnc21 ZINC000512478794 1004330881 /nfs/dbraw/zinc/33/08/81/1004330881.db2.gz DUYWJVHCLNCYTP-UHFFFAOYSA-N 1 0 411.513 3.754 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCOCC1)c1ccccc1 ZINC000512525866 1004360594 /nfs/dbraw/zinc/36/05/94/1004360594.db2.gz AMZXQKOEHKEGQB-SFHVURJKSA-N 1 0 421.516 3.745 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CCCC2)CC1 ZINC000510216009 1004401052 /nfs/dbraw/zinc/40/10/52/1004401052.db2.gz XTAIMBIKZKFYRI-UHFFFAOYSA-N 1 0 401.526 3.515 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnc(-c4ccncc4)s3)CC2)c1 ZINC000512600247 1004414835 /nfs/dbraw/zinc/41/48/35/1004414835.db2.gz RMLMKZBAIAKVMR-UHFFFAOYSA-N 1 0 403.511 3.927 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 ZINC000512625877 1004438723 /nfs/dbraw/zinc/43/87/23/1004438723.db2.gz QSICBBWWUHUPSS-REWPJTCUSA-N 1 0 419.573 3.535 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1C ZINC000510418802 1004552777 /nfs/dbraw/zinc/55/27/77/1004552777.db2.gz ZOVXBKPXJBUWEV-NRFANRHFSA-N 1 0 401.514 3.847 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510424928 1004557118 /nfs/dbraw/zinc/55/71/18/1004557118.db2.gz NFJWZFBVFDUQIH-OAQYLSRUSA-N 1 0 401.514 3.847 20 30 HHEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccco1 ZINC000510432901 1004563376 /nfs/dbraw/zinc/56/33/76/1004563376.db2.gz ZPWMIMPNZLOVKK-DOMZBBRYSA-N 1 0 415.437 3.578 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)c3ccc4c(c3)OCCO4)CC2)c(F)c1 ZINC000512816704 1004577283 /nfs/dbraw/zinc/57/72/83/1004577283.db2.gz IRIHHMWEHONFTN-UHFFFAOYSA-N 1 0 410.445 3.585 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512831368 1004589371 /nfs/dbraw/zinc/58/93/71/1004589371.db2.gz CILBWHUDAJJLDM-GBXCKJPGSA-N 1 0 424.516 3.996 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000501689413 1004606646 /nfs/dbraw/zinc/60/66/46/1004606646.db2.gz OYSRQBNTSQDXMC-OYDLWJJNSA-N 1 0 419.569 3.837 20 30 HHEDRO Cn1ccnc1COc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000510507688 1004629453 /nfs/dbraw/zinc/62/94/53/1004629453.db2.gz JOQQOFPUUPMSNH-UHFFFAOYSA-N 1 0 402.498 3.914 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1C#N ZINC000501735656 1004661538 /nfs/dbraw/zinc/66/15/38/1004661538.db2.gz PFBBGYWDHITATJ-GOSISDBHSA-N 1 0 407.518 3.798 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+](C)C ZINC000510539894 1004672364 /nfs/dbraw/zinc/67/23/64/1004672364.db2.gz OCDHXQAICCJXMZ-CPJSRVTESA-N 1 0 420.557 3.830 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)C2)n1 ZINC000510542743 1004675448 /nfs/dbraw/zinc/67/54/48/1004675448.db2.gz BULGQQNGUGUOHQ-NWSQWKLXSA-N 1 0 419.573 3.594 20 30 HHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N)[NH+](C)C ZINC000510552528 1004689624 /nfs/dbraw/zinc/68/96/24/1004689624.db2.gz VYAQDQTXBKMIPJ-HOYKHHGWSA-N 1 0 406.530 3.783 20 30 HHEDRO CC(C)[N@H+](C)CCCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000512937299 1004710138 /nfs/dbraw/zinc/71/01/38/1004710138.db2.gz LJRAHVWKPFDWOP-UHFFFAOYSA-N 1 0 424.570 3.749 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000510569075 1004713500 /nfs/dbraw/zinc/71/35/00/1004713500.db2.gz IGDRYCSCWYPYRH-HSZRJFAPSA-N 1 0 422.529 3.712 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000501775981 1004714893 /nfs/dbraw/zinc/71/48/93/1004714893.db2.gz QQDQMTOAZLLMSK-GOSISDBHSA-N 1 0 402.608 3.931 20 30 HHEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)n2c1 ZINC000513056554 1004783044 /nfs/dbraw/zinc/78/30/44/1004783044.db2.gz JYZJIFJBKQYCJR-QGZVFWFLSA-N 1 0 402.433 3.775 20 30 HHEDRO C[C@@H](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[NH+]1CCCCC1 ZINC000501871836 1004788833 /nfs/dbraw/zinc/78/88/33/1004788833.db2.gz MUMSVZDLRYNGFY-KRWDZBQOSA-N 1 0 402.514 3.515 20 30 HHEDRO CC(C)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCC(C)CC1 ZINC000510842413 1004886552 /nfs/dbraw/zinc/88/65/52/1004886552.db2.gz OZBFHFUNDJYJBC-HSZRJFAPSA-N 1 0 412.578 3.868 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000502139059 1004919310 /nfs/dbraw/zinc/91/93/10/1004919310.db2.gz QEKSTHZFIZLEFQ-INIZCTEOSA-N 1 0 424.574 3.732 20 30 HHEDRO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000502153002 1004925979 /nfs/dbraw/zinc/92/59/79/1004925979.db2.gz DRQWRGVOBGJZRQ-IRXDYDNUSA-N 1 0 422.504 3.614 20 30 HHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502165572 1004933490 /nfs/dbraw/zinc/93/34/90/1004933490.db2.gz VHTQGPIUAFSKBG-LJQANCHMSA-N 1 0 415.541 3.978 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000502182658 1004943265 /nfs/dbraw/zinc/94/32/65/1004943265.db2.gz CKRIANPKFBBMTM-UHFFFAOYSA-N 1 0 408.458 3.586 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000502185907 1004945267 /nfs/dbraw/zinc/94/52/67/1004945267.db2.gz JOONUKCFHYAFNN-UHFFFAOYSA-N 1 0 410.905 3.891 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000513470162 1004980580 /nfs/dbraw/zinc/98/05/80/1004980580.db2.gz CETNEOOZERCYMW-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO N#Cc1cccc(CC[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000513479359 1004984345 /nfs/dbraw/zinc/98/43/45/1004984345.db2.gz LDIOBBZUQMMGLN-UHFFFAOYSA-N 1 0 411.933 3.850 20 30 HHEDRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511059823 1005001938 /nfs/dbraw/zinc/00/19/38/1005001938.db2.gz OQBMCQJIHPQCKH-HNNXBMFYSA-N 1 0 406.370 3.838 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](c2ccnn2C)C1 ZINC000511120824 1005028758 /nfs/dbraw/zinc/02/87/58/1005028758.db2.gz MXGIVRZUGBGIAJ-HZPDHXFCSA-N 1 0 411.575 3.829 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000513648479 1005065856 /nfs/dbraw/zinc/06/58/56/1005065856.db2.gz SGYQFYIADQRIJE-RUZDIDTESA-N 1 0 418.585 3.739 20 30 HHEDRO COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000502414074 1005065971 /nfs/dbraw/zinc/06/59/71/1005065971.db2.gz IUYZNXIZKYKFFI-LAUBAEHRSA-N 1 0 407.514 3.600 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(C(=O)CCc4ccccc4)CC3)CC2)cc1 ZINC000513656403 1005068970 /nfs/dbraw/zinc/06/89/70/1005068970.db2.gz SMJMXPREROKMJH-UHFFFAOYSA-N 1 0 416.569 3.740 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(C(=O)NC4CCCCC4)CC3)CC2)cc1 ZINC000513690741 1005083400 /nfs/dbraw/zinc/08/34/00/1005083400.db2.gz LQPNQQKTTWEOJV-UHFFFAOYSA-N 1 0 409.578 3.623 20 30 HHEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)[C@H]2C1 ZINC000502495679 1005092186 /nfs/dbraw/zinc/09/21/86/1005092186.db2.gz FTRCXFJLBZFMTP-JTHBVZDNSA-N 1 0 405.498 3.594 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000502523686 1005101507 /nfs/dbraw/zinc/10/15/07/1005101507.db2.gz YDCLMSPHHKJCMR-KRWDZBQOSA-N 1 0 408.502 3.588 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000513790527 1005128851 /nfs/dbraw/zinc/12/88/51/1005128851.db2.gz ZFWDJVSUJLZSFY-MOPGFXCFSA-N 1 0 400.906 3.742 20 30 HHEDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000511510271 1005205852 /nfs/dbraw/zinc/20/58/52/1005205852.db2.gz XUDCPEBFUHAUKA-CVDCTZTESA-N 1 0 421.541 3.500 20 30 HHEDRO CC[C@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000502816603 1005229607 /nfs/dbraw/zinc/22/96/07/1005229607.db2.gz ZGVIHFSFPZDRSM-JOCHJYFZSA-N 1 0 413.525 3.619 20 30 HHEDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1-c1cccc(C#N)c1 ZINC000502927552 1005278409 /nfs/dbraw/zinc/27/84/09/1005278409.db2.gz CPJCTZMGFVBWTJ-LJQANCHMSA-N 1 0 419.554 3.756 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccsc1 ZINC000502961547 1005293596 /nfs/dbraw/zinc/29/35/96/1005293596.db2.gz RXYOIYQPIZYAPF-OAQYLSRUSA-N 1 0 407.543 3.927 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000514163028 1005294801 /nfs/dbraw/zinc/29/48/01/1005294801.db2.gz SHSRPPCMCITOKZ-OAQYLSRUSA-N 1 0 409.530 3.506 20 30 HHEDRO C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000511729144 1005295840 /nfs/dbraw/zinc/29/58/40/1005295840.db2.gz DLWGWTGLUMRRBQ-WMZOPIPTSA-N 1 0 424.932 3.567 20 30 HHEDRO C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000511745773 1005304354 /nfs/dbraw/zinc/30/43/54/1005304354.db2.gz OKOPMLWUIXJPLN-LPHOPBHVSA-N 1 0 424.932 3.567 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000503025292 1005319242 /nfs/dbraw/zinc/31/92/42/1005319242.db2.gz BDBCUXYOWWHUID-HXUWFJFHSA-N 1 0 420.395 3.743 20 30 HHEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000514242079 1005329170 /nfs/dbraw/zinc/32/91/70/1005329170.db2.gz PVUNPPSOXGEBPW-GDBMZVCRSA-N 1 0 402.539 3.598 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000511790124 1005329261 /nfs/dbraw/zinc/32/92/61/1005329261.db2.gz XBOHLWKDESMZMA-UHFFFAOYSA-N 1 0 404.558 3.748 20 30 HHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000503265382 1005380281 /nfs/dbraw/zinc/38/02/81/1005380281.db2.gz ONJYLCZUCQRKHM-OAQYLSRUSA-N 1 0 419.525 3.726 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccs1 ZINC000503453837 1005424966 /nfs/dbraw/zinc/42/49/66/1005424966.db2.gz GYJUIVBLTYOMMU-KBXCAEBGSA-N 1 0 409.964 3.635 20 30 HHEDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503520690 1005442650 /nfs/dbraw/zinc/44/26/50/1005442650.db2.gz IGXJHIYQDOBVSZ-UGKGYDQZSA-N 1 0 413.525 3.693 20 30 HHEDRO Cc1cc(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000503606115 1005463824 /nfs/dbraw/zinc/46/38/24/1005463824.db2.gz DBKWXZRMDBVYIG-UHFFFAOYSA-N 1 0 401.514 3.693 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000503606801 1005463881 /nfs/dbraw/zinc/46/38/81/1005463881.db2.gz GOEWLPATVNUEAQ-FPGHNAPASA-N 1 0 413.562 3.665 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504073531 1005546465 /nfs/dbraw/zinc/54/64/65/1005546465.db2.gz BDTLDUFPWXTKJU-KOSHJBKYSA-N 1 0 413.562 3.939 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000504234315 1005579330 /nfs/dbraw/zinc/57/93/30/1005579330.db2.gz COWRDEMUSMOWHF-QHCPKHFHSA-N 1 0 402.542 3.896 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000514571436 1006041069 /nfs/dbraw/zinc/04/10/69/1006041069.db2.gz MHYKNPFVMYOJOB-UHFFFAOYSA-N 1 0 412.921 3.508 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534087510 1006061300 /nfs/dbraw/zinc/06/13/00/1006061300.db2.gz OGKOQDNLXAQNNE-YZGWKJHDSA-N 1 0 424.570 3.695 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000514874292 1006176229 /nfs/dbraw/zinc/17/62/29/1006176229.db2.gz LYDPNDXSWAYFPG-INIZCTEOSA-N 1 0 417.554 3.751 20 30 HHEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000514976913 1006233854 /nfs/dbraw/zinc/23/38/54/1006233854.db2.gz KXYRJMVMPMUQHR-JOCHJYFZSA-N 1 0 418.585 3.892 20 30 HHEDRO COc1cccc(OC)c1OCCCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000515014225 1006249327 /nfs/dbraw/zinc/24/93/27/1006249327.db2.gz MEPWXARAUDTEPF-UHFFFAOYSA-N 1 0 409.530 3.552 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)ccc1OC ZINC000531538249 1006263094 /nfs/dbraw/zinc/26/30/94/1006263094.db2.gz MYJKZHZODQYVSQ-QFIPXVFZSA-N 1 0 408.542 3.973 20 30 HHEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)CC1 ZINC000531587015 1006288605 /nfs/dbraw/zinc/28/86/05/1006288605.db2.gz CCIVMGNXTAAVNA-RBUKOAKNSA-N 1 0 415.607 3.571 20 30 HHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1NC(C)=O ZINC000531715564 1006374805 /nfs/dbraw/zinc/37/48/05/1006374805.db2.gz JGGTUISAUHXUJM-KXBFYZLASA-N 1 0 410.493 3.984 20 30 HHEDRO COC(=O)c1cccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C#N ZINC000534471998 1006457362 /nfs/dbraw/zinc/45/73/62/1006457362.db2.gz HLVMPHYGBSXKJW-VWLOTQADSA-N 1 0 403.526 3.833 20 30 HHEDRO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000538373033 1006643934 /nfs/dbraw/zinc/64/39/34/1006643934.db2.gz VKCPBHWLIDSFPE-JTSKRJEESA-N 1 0 412.509 3.547 20 30 HHEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538390802 1006660414 /nfs/dbraw/zinc/66/04/14/1006660414.db2.gz ZEGOGIXXVNGRAR-WAIKUNEKSA-N 1 0 423.488 3.973 20 30 HHEDRO C=C[C@H](CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)c1ccccc1 ZINC000534682553 1006661312 /nfs/dbraw/zinc/66/13/12/1006661312.db2.gz YRPSHTIDGCXOKQ-OAQYLSRUSA-N 1 0 407.558 3.636 20 30 HHEDRO O=C1[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1CC(F)(F)F ZINC000538399990 1006668920 /nfs/dbraw/zinc/66/89/20/1006668920.db2.gz AVJYYZKHDBZJIH-LLVKDONJSA-N 1 0 408.264 3.977 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)c2)c1 ZINC000538420555 1006688841 /nfs/dbraw/zinc/68/88/41/1006688841.db2.gz QPPNMTOLWQCFIJ-RPBOFIJWSA-N 1 0 405.542 3.870 20 30 HHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000532227552 1006733857 /nfs/dbraw/zinc/73/38/57/1006733857.db2.gz QDXSBWJCAMVMAU-LPHOPBHVSA-N 1 0 410.493 3.682 20 30 HHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000532227553 1006734232 /nfs/dbraw/zinc/73/42/32/1006734232.db2.gz QDXSBWJCAMVMAU-QFBILLFUSA-N 1 0 410.493 3.682 20 30 HHEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000538507909 1006772986 /nfs/dbraw/zinc/77/29/86/1006772986.db2.gz KPJVNHKWWMWCEN-IRXDYDNUSA-N 1 0 415.534 3.969 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000532374136 1006831243 /nfs/dbraw/zinc/83/12/43/1006831243.db2.gz GTBDULKZXOXBKH-JOCHJYFZSA-N 1 0 405.546 3.735 20 30 HHEDRO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534833648 1006846174 /nfs/dbraw/zinc/84/61/74/1006846174.db2.gz FWKJDRLNTABRLY-JTQLQIEISA-N 1 0 420.304 3.846 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000532429444 1006873062 /nfs/dbraw/zinc/87/30/62/1006873062.db2.gz WLSLBMUQTGCSKB-RPBOFIJWSA-N 1 0 405.542 3.870 20 30 HHEDRO CC[NH+]1CCC(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000516093617 1006878047 /nfs/dbraw/zinc/87/80/47/1006878047.db2.gz AUSVMCDXQKTGQV-UHFFFAOYSA-N 1 0 405.502 3.664 20 30 HHEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000516169440 1006928266 /nfs/dbraw/zinc/92/82/66/1006928266.db2.gz YNMNINAAJDFECY-ZIAGYGMSSA-N 1 0 419.934 3.683 20 30 HHEDRO C=CCN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000534931700 1006968474 /nfs/dbraw/zinc/96/84/74/1006968474.db2.gz JOJDJJMDJSXXRS-HXUWFJFHSA-N 1 0 419.591 3.658 20 30 HHEDRO N#CC1(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCCC1 ZINC000516263670 1006980510 /nfs/dbraw/zinc/98/05/10/1006980510.db2.gz OUSHVLJASKTUCP-UHFFFAOYSA-N 1 0 422.495 3.808 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1Cl ZINC000532554473 1006986161 /nfs/dbraw/zinc/98/61/61/1006986161.db2.gz OJLVCRFDYMHXCN-UHFFFAOYSA-N 1 0 416.953 3.701 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000538788664 1007070532 /nfs/dbraw/zinc/07/05/32/1007070532.db2.gz ULRLLVMVKZFIIX-GOSISDBHSA-N 1 0 401.551 3.847 20 30 HHEDRO C[C@](C#N)(CCc1ccccc1)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000532687290 1007101372 /nfs/dbraw/zinc/10/13/72/1007101372.db2.gz KVVZKFCHEKIYDE-RUZDIDTESA-N 1 0 404.558 3.620 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000538845832 1007118992 /nfs/dbraw/zinc/11/89/92/1007118992.db2.gz AXVJBPMWEZDYKC-UHFFFAOYSA-N 1 0 418.950 3.534 20 30 HHEDRO C=CCCO[C@@H](C)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000538924341 1007209069 /nfs/dbraw/zinc/20/90/69/1007209069.db2.gz HCJLGDKYKPBMQI-NRFANRHFSA-N 1 0 407.558 3.971 20 30 HHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@H]1C ZINC000538956203 1007244251 /nfs/dbraw/zinc/24/42/51/1007244251.db2.gz OWRZUEGGVSDGGP-UYAOXDASSA-N 1 0 401.551 3.847 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000532915535 1007287621 /nfs/dbraw/zinc/28/76/21/1007287621.db2.gz QIGNWXYXAWJLCU-UWJYYQICSA-N 1 0 424.511 3.656 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000535275715 1007326872 /nfs/dbraw/zinc/32/68/72/1007326872.db2.gz HVAWQFPZSNLSCS-HXUWFJFHSA-N 1 0 409.555 3.869 20 30 HHEDRO COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1OCCCC#N ZINC000532993922 1007363880 /nfs/dbraw/zinc/36/38/80/1007363880.db2.gz LYCQBTTZWMPHDI-HXUWFJFHSA-N 1 0 409.534 3.525 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047845 1007409947 /nfs/dbraw/zinc/40/99/47/1007409947.db2.gz QXMRFBHWUGMUGD-SJLPKXTDSA-N 1 0 400.498 3.868 20 30 HHEDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCCC1 ZINC000533068115 1007431354 /nfs/dbraw/zinc/43/13/54/1007431354.db2.gz KKXSFTQOHYFGBH-MRXNPFEDSA-N 1 0 403.548 3.875 20 30 HHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000533147748 1007485031 /nfs/dbraw/zinc/48/50/31/1007485031.db2.gz TYWXRORCOSEWBF-UHFFFAOYSA-N 1 0 421.360 3.705 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)ccc1OCc1ccncc1 ZINC000539252645 1007546201 /nfs/dbraw/zinc/54/62/01/1007546201.db2.gz LYPIVABLJSJPNL-HNNXBMFYSA-N 1 0 422.510 3.892 20 30 HHEDRO CC[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000539252972 1007547265 /nfs/dbraw/zinc/54/72/65/1007547265.db2.gz RNUDPSHCARKMBS-OAQYLSRUSA-N 1 0 407.514 3.679 20 30 HHEDRO CCOc1ccc(F)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1F ZINC000535494041 1007551975 /nfs/dbraw/zinc/55/19/75/1007551975.db2.gz OYAFTMOWWFJQPE-UHFFFAOYSA-N 1 0 402.445 3.831 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)CC1 ZINC000517304664 1007552726 /nfs/dbraw/zinc/55/27/26/1007552726.db2.gz XAZUUDWUJXMIGQ-UHFFFAOYSA-N 1 0 424.545 3.598 20 30 HHEDRO CC(C)[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000533251256 1007569283 /nfs/dbraw/zinc/56/92/83/1007569283.db2.gz XLAXZEJBJJBMAP-UHFFFAOYSA-N 1 0 405.420 3.984 20 30 HHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000539278673 1007574222 /nfs/dbraw/zinc/57/42/22/1007574222.db2.gz VMUCFSVMOVBGGX-DEOSSOPVSA-N 1 0 417.484 3.896 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C#N ZINC000533272103 1007585947 /nfs/dbraw/zinc/58/59/47/1007585947.db2.gz HFIYWKSNXMOYGT-UHFFFAOYSA-N 1 0 421.589 3.957 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1C#N ZINC000533290101 1007602971 /nfs/dbraw/zinc/60/29/71/1007602971.db2.gz PFBVZIYUGDURIE-HXUWFJFHSA-N 1 0 423.561 3.507 20 30 HHEDRO CC1CCC([N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C2CC2)CC1 ZINC000539364878 1007668291 /nfs/dbraw/zinc/66/82/91/1007668291.db2.gz HWHMQWMGRIGJOF-QLOJAFMTSA-N 1 0 400.592 3.500 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc([S@@](C)=O)cc1 ZINC000539370965 1007674831 /nfs/dbraw/zinc/67/48/31/1007674831.db2.gz XORVILAEUFPJDS-HJFSHJIFSA-N 1 0 415.584 3.915 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533375369 1007687511 /nfs/dbraw/zinc/68/75/11/1007687511.db2.gz SOSPVNSEQSXGPY-BBWFWOEESA-N 1 0 400.592 3.774 20 30 HHEDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533379992 1007692882 /nfs/dbraw/zinc/69/28/82/1007692882.db2.gz HNOLRUUOZLVVRV-CQSZACIVSA-N 1 0 409.515 3.898 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535675385 1007699390 /nfs/dbraw/zinc/69/93/90/1007699390.db2.gz LLYNFFPTAHNFPO-IIBYNOLFSA-N 1 0 401.869 3.539 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(OC)c1 ZINC000533388389 1007701970 /nfs/dbraw/zinc/70/19/70/1007701970.db2.gz WSEYYCSPLHJCFN-HXUWFJFHSA-N 1 0 421.541 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USYSAVYXWKJVMQ-LJQANCHMSA-N 1 0 414.598 3.782 20 30 HHEDRO C=CCOCCCC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000519738008 1008990580 /nfs/dbraw/zinc/99/05/80/1008990580.db2.gz VVSDGKSDXZCMNA-UHFFFAOYSA-N 1 0 409.368 3.855 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458903 1009042686 /nfs/dbraw/zinc/04/26/86/1009042686.db2.gz JKQSSUPFKLFMCV-UFYCRDLUSA-N 1 0 412.578 3.573 20 30 HHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C2CC2)c1 ZINC000549476303 1009073590 /nfs/dbraw/zinc/07/35/90/1009073590.db2.gz MJMRVEBLBSPECR-GMAHTHKFSA-N 1 0 424.932 3.726 20 30 HHEDRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccs1 ZINC000543487190 1009076150 /nfs/dbraw/zinc/07/61/50/1009076150.db2.gz YDOMZBVBSNWMGO-MSOLQXFVSA-N 1 0 416.616 3.895 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543606498 1009211936 /nfs/dbraw/zinc/21/19/36/1009211936.db2.gz GWEKAMCNOFSDFS-UHFFFAOYSA-N 1 0 400.567 3.523 20 30 HHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549603705 1009231597 /nfs/dbraw/zinc/23/15/97/1009231597.db2.gz OVIAQYIWXUZBJG-QFIPXVFZSA-N 1 0 409.578 3.883 20 30 HHEDRO C=C(C)Cn1c(-c2cccc3ccccc32)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000549656785 1009285177 /nfs/dbraw/zinc/28/51/77/1009285177.db2.gz QVKOWLXFGOZMAS-UHFFFAOYSA-N 1 0 417.557 3.975 20 30 HHEDRO CC(C)CCc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000520143915 1009295632 /nfs/dbraw/zinc/29/56/32/1009295632.db2.gz FKOIDKOKQQFKDG-UHFFFAOYSA-N 1 0 420.557 3.676 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000549691201 1009320961 /nfs/dbraw/zinc/32/09/61/1009320961.db2.gz YRXOPIYQTWOFPX-UNMCSNQZSA-N 1 0 409.578 3.555 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549699377 1009328743 /nfs/dbraw/zinc/32/87/43/1009328743.db2.gz OPGGCQFJROGVSI-KDURUIRLSA-N 1 0 413.566 3.748 20 30 HHEDRO CC(C)CCc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000520244264 1009364547 /nfs/dbraw/zinc/36/45/47/1009364547.db2.gz URPMIUZMFLMISA-UHFFFAOYSA-N 1 0 420.557 3.676 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCOc2ccc(C#N)cc2OC)C1 ZINC000520309329 1009436400 /nfs/dbraw/zinc/43/64/00/1009436400.db2.gz VMIGSAOHEQEDHG-GOSISDBHSA-N 1 0 401.551 3.743 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543884115 1009459589 /nfs/dbraw/zinc/45/95/89/1009459589.db2.gz FHMWZSDYZLYNQH-UHFFFAOYSA-N 1 0 422.920 3.993 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c(F)c1 ZINC000543888786 1009466023 /nfs/dbraw/zinc/46/60/23/1009466023.db2.gz CNAJJCRVBVTCMV-IBGZPJMESA-N 1 0 418.476 3.669 20 30 HHEDRO CC[NH+](CC)CCCC1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 ZINC000543950017 1009547618 /nfs/dbraw/zinc/54/76/18/1009547618.db2.gz FBCKXZTYMWJLJA-UHFFFAOYSA-N 1 0 424.593 3.511 20 30 HHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000520453036 1009564761 /nfs/dbraw/zinc/56/47/61/1009564761.db2.gz QGWKRZWYYAGONN-UHFFFAOYSA-N 1 0 416.529 3.851 20 30 HHEDRO C[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543998295 1009599469 /nfs/dbraw/zinc/59/94/69/1009599469.db2.gz LIMZELZSSAIKGK-NRFANRHFSA-N 1 0 418.585 3.672 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000550010566 1009608894 /nfs/dbraw/zinc/60/88/94/1009608894.db2.gz HOAPYBGQPCYKIM-QHCPKHFHSA-N 1 0 405.542 3.545 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000520601008 1009677668 /nfs/dbraw/zinc/67/76/68/1009677668.db2.gz ZAZUCHWTERFEEC-QZTJIDSGSA-N 1 0 418.969 3.603 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000520641379 1009716429 /nfs/dbraw/zinc/71/64/29/1009716429.db2.gz RDZXMIOOZYZUGM-HNNXBMFYSA-N 1 0 408.571 3.534 20 30 HHEDRO N#CC1(CS(=O)(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCCC1 ZINC000546778820 1009744881 /nfs/dbraw/zinc/74/48/81/1009744881.db2.gz NWUPHBYCMIGJGS-UHFFFAOYSA-N 1 0 417.619 3.725 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000550181749 1009759130 /nfs/dbraw/zinc/75/91/30/1009759130.db2.gz QMMNKQZSLKOIQE-HSZRJFAPSA-N 1 0 405.542 3.722 20 30 HHEDRO Cn1cc([C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCN2Cc2ccc(CC#N)cc2)cn1 ZINC000544191458 1009793722 /nfs/dbraw/zinc/79/37/22/1009793722.db2.gz YFXSLPXNESRUER-AREMUKBSSA-N 1 0 424.552 3.611 20 30 HHEDRO CS[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H]1[NH+](C)C ZINC000546851805 1009812733 /nfs/dbraw/zinc/81/27/33/1009812733.db2.gz RSWMXLJUOTYVNU-YLJYHZDGSA-N 1 0 414.506 3.999 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)CC1 ZINC000550382057 1009895339 /nfs/dbraw/zinc/89/53/39/1009895339.db2.gz QAHJGXDYZSBAIJ-UHFFFAOYSA-N 1 0 416.953 3.854 20 30 HHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000520859657 1009913931 /nfs/dbraw/zinc/91/39/31/1009913931.db2.gz CNYKKEDTNIDMKO-UHFFFAOYSA-N 1 0 422.504 3.687 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000520930871 1009984631 /nfs/dbraw/zinc/98/46/31/1009984631.db2.gz NJZOWOMOWFMNEC-SFHVURJKSA-N 1 0 416.591 3.648 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000544399309 1010019645 /nfs/dbraw/zinc/01/96/45/1010019645.db2.gz ADCGXYPFIRWYCW-HXUWFJFHSA-N 1 0 400.548 3.754 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)cc1Cl ZINC000550616778 1010066813 /nfs/dbraw/zinc/06/68/13/1010066813.db2.gz FXRIQWXVVWWZBY-UHFFFAOYSA-N 1 0 408.951 3.881 20 30 HHEDRO C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000550766604 1010164361 /nfs/dbraw/zinc/16/43/61/1010164361.db2.gz WXQXEVRMOXTONP-KDOFPFPSSA-N 1 0 412.559 3.663 20 30 HHEDRO C[C@@H](NC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(C#N)cc1 ZINC000550978998 1010294928 /nfs/dbraw/zinc/29/49/28/1010294928.db2.gz HDFQYJKAHXKGRB-MOPGFXCFSA-N 1 0 418.541 3.515 20 30 HHEDRO C=CCOc1ccc(-c2nc(-c3ccc(N4CC[NH+](CC)CC4)nc3)no2)cc1OC ZINC000544719180 1010327414 /nfs/dbraw/zinc/32/74/14/1010327414.db2.gz HMVXCCXEEPCQCO-UHFFFAOYSA-N 1 0 421.501 3.514 20 30 HHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000521370795 1010338159 /nfs/dbraw/zinc/33/81/59/1010338159.db2.gz LKSRSFDCJMOLDW-UHFFFAOYSA-N 1 0 402.454 3.938 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000521383685 1010347931 /nfs/dbraw/zinc/34/79/31/1010347931.db2.gz SCSFQLVAEWCDCY-UHFFFAOYSA-N 1 0 412.921 3.521 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)CC1 ZINC000521590121 1010486773 /nfs/dbraw/zinc/48/67/73/1010486773.db2.gz MEMYOOBQWNGZPI-UHFFFAOYSA-N 1 0 419.569 3.957 20 30 HHEDRO N#Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1Cl ZINC000547976949 1010492182 /nfs/dbraw/zinc/49/21/82/1010492182.db2.gz GYMWGXYNNRPGHA-UHFFFAOYSA-N 1 0 401.869 3.624 20 30 HHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccc(F)cc1 ZINC000551412859 1010570486 /nfs/dbraw/zinc/57/04/86/1010570486.db2.gz NMQXEDPIZNRJAD-UHFFFAOYSA-N 1 0 403.571 3.778 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521739561 1010584341 /nfs/dbraw/zinc/58/43/41/1010584341.db2.gz HKUXNHCFXHHECW-ROUUACIJSA-N 1 0 416.591 3.505 20 30 HHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000551541184 1010648143 /nfs/dbraw/zinc/64/81/43/1010648143.db2.gz VIGRUVIBKRXSSU-OAQYLSRUSA-N 1 0 419.481 3.772 20 30 HHEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC3 ZINC000545191908 1010679092 /nfs/dbraw/zinc/67/90/92/1010679092.db2.gz XRHLOEPOZLNLKL-MZNJEOGPSA-N 1 0 414.509 3.691 20 30 HHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)cccc21 ZINC000551598604 1010686900 /nfs/dbraw/zinc/68/69/00/1010686900.db2.gz IJZJNPAVIMVRFL-CTNGQTDRSA-N 1 0 420.513 3.562 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000548774768 1010727825 /nfs/dbraw/zinc/72/78/25/1010727825.db2.gz NUYNOCCXRXAVID-ATIYNZHBSA-N 1 0 414.553 3.768 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000521960182 1010738698 /nfs/dbraw/zinc/73/86/98/1010738698.db2.gz JMYVBFLBYXMLKC-LJQANCHMSA-N 1 0 405.542 3.884 20 30 HHEDRO N#CC1(c2ccccn2)CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000548858187 1010746497 /nfs/dbraw/zinc/74/64/97/1010746497.db2.gz VGOJIUWPXUFGGH-UHFFFAOYSA-N 1 0 414.303 3.673 20 30 HHEDRO C[C@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000548883957 1010752072 /nfs/dbraw/zinc/75/20/72/1010752072.db2.gz UTZLBOYSRLKMIB-OAQYLSRUSA-N 1 0 416.569 3.809 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000522017402 1010758129 /nfs/dbraw/zinc/75/81/29/1010758129.db2.gz ZEIRUNAGKUHKBP-UHFFFAOYSA-N 1 0 413.566 3.895 20 30 HHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](c2cncc(Br)c2)C2CC2)c(C#N)c1C ZINC000551719253 1010760182 /nfs/dbraw/zinc/76/01/82/1010760182.db2.gz TYUPSLYEUFRIHS-DIFFPNOSSA-N 1 0 417.307 3.994 20 30 HHEDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000540592522 1011248403 /nfs/dbraw/zinc/24/84/03/1011248403.db2.gz UOGXHBIKJSCVAN-LJQANCHMSA-N 1 0 404.558 3.841 20 30 HHEDRO CC[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000540596226 1011252119 /nfs/dbraw/zinc/25/21/19/1011252119.db2.gz COQNYYGEXIXQHK-AREMUKBSSA-N 1 0 402.586 3.949 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1ccccc1Cl ZINC000540641035 1011290726 /nfs/dbraw/zinc/29/07/26/1011290726.db2.gz QFRWBXZPJZXLLU-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1cc(C)cc(C)c1 ZINC000540723147 1011375914 /nfs/dbraw/zinc/37/59/14/1011375914.db2.gz HQBWUKAUHBCFQU-UHFFFAOYSA-N 1 0 415.541 3.873 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)CC2)cc1 ZINC000540974414 1011608448 /nfs/dbraw/zinc/60/84/48/1011608448.db2.gz AWXSVJGVPOWDAT-QHCPKHFHSA-N 1 0 404.514 3.752 20 30 HHEDRO Cc1cc(NC(=O)N2CCC(CC#N)CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000541040367 1011677469 /nfs/dbraw/zinc/67/74/69/1011677469.db2.gz ALSBTLXYDXPFHM-OAQYLSRUSA-N 1 0 406.534 3.796 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000523226823 1011716127 /nfs/dbraw/zinc/71/61/27/1011716127.db2.gz HEKJHFASSLMZCM-OAQYLSRUSA-N 1 0 401.466 3.735 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc([S@@](C)=O)cc1 ZINC000541123314 1011779518 /nfs/dbraw/zinc/77/95/18/1011779518.db2.gz MPWIXLJEXGYOCZ-MAOKOLTRSA-N 1 0 401.557 3.524 20 30 HHEDRO C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541156967 1011817608 /nfs/dbraw/zinc/81/76/08/1011817608.db2.gz MMENMFFILPSKHW-CTNGQTDRSA-N 1 0 418.541 3.650 20 30 HHEDRO C=CC[N@@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675227 1011834499 /nfs/dbraw/zinc/83/44/99/1011834499.db2.gz GEQJYHZSWKGLLD-SJORKVTESA-N 1 0 405.502 3.744 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000541201793 1011871877 /nfs/dbraw/zinc/87/18/77/1011871877.db2.gz KQIIANUFWPOFMB-LJQANCHMSA-N 1 0 411.525 3.850 20 30 HHEDRO N#CCCC[C@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000551831097 1011987700 /nfs/dbraw/zinc/98/77/00/1011987700.db2.gz PZXADKYLPBSDMH-QHCPKHFHSA-N 1 0 418.541 3.815 20 30 HHEDRO C[C@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1Cl ZINC000552090148 1012105848 /nfs/dbraw/zinc/10/58/48/1012105848.db2.gz BUQIKXKZEFIXKT-ZFWWWQNUSA-N 1 0 409.964 3.635 20 30 HHEDRO N#Cc1ccccc1OCC[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000537017344 1012318954 /nfs/dbraw/zinc/31/89/54/1012318954.db2.gz UFTMVNNHTIJZFQ-LJQANCHMSA-N 1 0 417.431 3.909 20 30 HHEDRO C[C@H](NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000537034972 1012351581 /nfs/dbraw/zinc/35/15/81/1012351581.db2.gz IFNRZFDMOFIKAI-IBGZPJMESA-N 1 0 406.530 3.636 20 30 HHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000537039881 1012358642 /nfs/dbraw/zinc/35/86/42/1012358642.db2.gz RNMTUGQJNMMBFY-UHFFFAOYSA-N 1 0 411.889 3.980 20 30 HHEDRO CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000552363183 1012373136 /nfs/dbraw/zinc/37/31/36/1012373136.db2.gz FZFYBVKLFYBHMD-NHCUHLMSSA-N 1 0 402.970 3.621 20 30 HHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1OCC(=O)N(C)C ZINC000537052070 1012378533 /nfs/dbraw/zinc/37/85/33/1012378533.db2.gz QYIFAQXSTWQMFH-GOSISDBHSA-N 1 0 417.456 3.868 20 30 HHEDRO CN1CC[N@H+](CCCNc2nc(C(F)(F)F)ccc2C#N)[C@@H](c2ccccc2)C1 ZINC000523755318 1012381212 /nfs/dbraw/zinc/38/12/12/1012381212.db2.gz MIHHLPUTTIXQMO-GOSISDBHSA-N 1 0 403.452 3.763 20 30 HHEDRO Cc1c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000541614966 1012419703 /nfs/dbraw/zinc/41/97/03/1012419703.db2.gz WXDXYSUBLIAOMI-KRWDZBQOSA-N 1 0 405.477 3.917 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000537077169 1012422222 /nfs/dbraw/zinc/42/22/22/1012422222.db2.gz GKORKYGALCSVTH-QMHKHESXSA-N 1 0 410.493 3.783 20 30 HHEDRO C[C@H](Cn1ccc2ccccc21)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000552426596 1012445179 /nfs/dbraw/zinc/44/51/79/1012445179.db2.gz RNTICOCBLHHTCX-HXUWFJFHSA-N 1 0 400.526 3.952 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c1C#N ZINC000537094611 1012455814 /nfs/dbraw/zinc/45/58/14/1012455814.db2.gz OOJJIFRSOVRUBL-QFIPXVFZSA-N 1 0 420.513 3.660 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000541645929 1012467605 /nfs/dbraw/zinc/46/76/05/1012467605.db2.gz PWVSDQAYZASMKM-MRXNPFEDSA-N 1 0 408.506 3.685 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[NH+](C)C)cc1 ZINC000552457016 1012482154 /nfs/dbraw/zinc/48/21/54/1012482154.db2.gz DPMICLKOJCQLPD-GOSISDBHSA-N 1 0 420.435 3.792 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000537162132 1012562670 /nfs/dbraw/zinc/56/26/70/1012562670.db2.gz MNEMBHALOJZJMS-MOPGFXCFSA-N 1 0 412.559 3.667 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)c1 ZINC000537164791 1012566385 /nfs/dbraw/zinc/56/63/85/1012566385.db2.gz GWSLCLCDRFHCBD-UHFFFAOYSA-N 1 0 405.527 3.996 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000523877570 1012574651 /nfs/dbraw/zinc/57/46/51/1012574651.db2.gz FCYVDCVLQCKKMO-KSZLIROESA-N 1 0 403.567 3.598 20 30 HHEDRO CC(C)[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000537173075 1012579138 /nfs/dbraw/zinc/57/91/38/1012579138.db2.gz ZWGKAQHTJJVDQB-UPVQGACJSA-N 1 0 408.521 3.521 20 30 HHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000523891467 1012595847 /nfs/dbraw/zinc/59/58/47/1012595847.db2.gz BUSYRQNUDHFRNQ-XXBNENTESA-N 1 0 401.551 3.545 20 30 HHEDRO CCc1noc(-c2ccc(CC[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000537304707 1012762724 /nfs/dbraw/zinc/76/27/24/1012762724.db2.gz UURSMBTZLXLIKF-UHFFFAOYSA-N 1 0 415.541 3.967 20 30 HHEDRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000541925887 1012786466 /nfs/dbraw/zinc/78/64/66/1012786466.db2.gz JFHCGMZYGDSOOH-UHFFFAOYSA-N 1 0 417.303 3.861 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541973583 1012839827 /nfs/dbraw/zinc/83/98/27/1012839827.db2.gz XPTMNSSZJRXTQF-FXAWDEMLSA-N 1 0 424.570 3.827 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000524082503 1012850469 /nfs/dbraw/zinc/85/04/69/1012850469.db2.gz CQAZSMMWXVKPPL-JOCHJYFZSA-N 1 0 407.514 3.533 20 30 HHEDRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)OC ZINC000542020107 1012911949 /nfs/dbraw/zinc/91/19/49/1012911949.db2.gz ZBMYCHUHULNGRH-HKARXFIJSA-N 1 0 407.514 3.580 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000542025750 1012920139 /nfs/dbraw/zinc/92/01/39/1012920139.db2.gz FIALOZMEPALPDD-HNAYVOBHSA-N 1 0 424.936 3.878 20 30 HHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542034165 1012933077 /nfs/dbraw/zinc/93/30/77/1012933077.db2.gz WGSHVMMERLRLOG-QGZVFWFLSA-N 1 0 400.914 3.735 20 30 HHEDRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000524147633 1012934793 /nfs/dbraw/zinc/93/47/93/1012934793.db2.gz PHQNFVMMGDNTTI-UHFFFAOYSA-N 1 0 413.481 3.750 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)C2)c(F)c1 ZINC000553053605 1013027760 /nfs/dbraw/zinc/02/77/60/1013027760.db2.gz YWOZFBZINBHWCH-QFIPXVFZSA-N 1 0 420.532 3.826 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)N[C@@H](C)CC)cc1 ZINC000729669598 1071785003 /nfs/dbraw/zinc/78/50/03/1071785003.db2.gz IATMGNBMIGWUDI-AWEZNQCLSA-O 1 0 403.524 3.633 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2cc(C)ccc2F)[n+]2ccccc2)c1 ZINC000729670741 1071788374 /nfs/dbraw/zinc/78/83/74/1071788374.db2.gz XNLYNKNUAXXUHP-UHFFFAOYSA-O 1 0 413.450 3.852 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001211975842 1071829759 /nfs/dbraw/zinc/82/97/59/1071829759.db2.gz RFGIGMHIVVCDEF-LPHOPBHVSA-N 1 0 419.497 3.731 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(OC)c(OC)cc2F)no1 ZINC001211975374 1071829140 /nfs/dbraw/zinc/82/91/40/1071829140.db2.gz FNHKFFOTZNRCRS-YOEHRIQHSA-N 1 0 407.486 3.971 20 30 HHEDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC001126744091 1071846395 /nfs/dbraw/zinc/84/63/95/1071846395.db2.gz MHUCBVCJAHNMOI-DHIUTWEWSA-N 1 0 416.481 3.725 20 30 HHEDRO CC[NH+](CC)Cc1ccccc1Nc1c(C#N)cnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001211991763 1071853500 /nfs/dbraw/zinc/85/35/00/1071853500.db2.gz LUQJYIVPCZFETR-UHFFFAOYSA-N 1 0 423.542 3.733 20 30 HHEDRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001212058197 1071940032 /nfs/dbraw/zinc/94/00/32/1071940032.db2.gz BNUDYTNHYKFUBX-HOTGVXAUSA-N 1 0 422.316 3.870 20 30 HHEDRO N#CC1(c2cccnc2NC(=N)c2nccs2)CC[NH+](Cc2ccccc2)CC1 ZINC001168275916 1072158937 /nfs/dbraw/zinc/15/89/37/1072158937.db2.gz MGIGKJJEKGFRJK-UHFFFAOYSA-N 1 0 402.527 3.632 20 30 HHEDRO C[NH+](C)CCOc1ccccc1-c1noc([C@H]2CCCN2c2ccc(C#N)cc2)n1 ZINC000615133297 1072182969 /nfs/dbraw/zinc/18/29/69/1072182969.db2.gz XGCDDCHQGFVRIH-HXUWFJFHSA-N 1 0 403.486 3.890 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000536741064 1072192330 /nfs/dbraw/zinc/19/23/30/1072192330.db2.gz GOWSVEIKISSXRW-XMMPIXPASA-N 1 0 424.976 3.809 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)c1C#N ZINC000760306286 1072235551 /nfs/dbraw/zinc/23/55/51/1072235551.db2.gz HGDSXSCNPWOCIC-NTEUORMPSA-N 1 0 411.815 3.671 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)c1C#N ZINC000760307394 1072236331 /nfs/dbraw/zinc/23/63/31/1072236331.db2.gz JDZVQLWIAIXGFQ-INIZCTEOSA-N 1 0 404.518 3.713 20 30 HHEDRO N#CCOc1cccc(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000760403300 1072328857 /nfs/dbraw/zinc/32/88/57/1072328857.db2.gz MAVGLTOWDGMPPL-LADGPHEKSA-N 1 0 403.526 3.645 20 30 HHEDRO C=CCOc1ccc(C(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000913365921 1072382185 /nfs/dbraw/zinc/38/21/85/1072382185.db2.gz XZEHTSBBAQGBIF-LJQANCHMSA-N 1 0 422.525 3.578 20 30 HHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cccc21 ZINC000586816085 1072428810 /nfs/dbraw/zinc/42/88/10/1072428810.db2.gz KZVZTYAMJJBAFR-OAQYLSRUSA-N 1 0 422.504 3.938 20 30 HHEDRO CC1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586866988 1072490535 /nfs/dbraw/zinc/49/05/35/1072490535.db2.gz DDDGYJOHPIYLSH-UHFFFAOYSA-N 1 0 423.948 3.562 20 30 HHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+]C3(CO)CCCC3)sc2C1 ZINC001168323656 1072504663 /nfs/dbraw/zinc/50/46/63/1072504663.db2.gz DIVHGVLPJBCUSG-HNNXBMFYSA-N 1 0 403.592 3.994 20 30 HHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+](CCc2cccs2)CC1 ZINC000587446688 1072579714 /nfs/dbraw/zinc/57/97/14/1072579714.db2.gz RZFAEVAXYQAAEG-UHFFFAOYSA-N 1 0 402.445 3.950 20 30 HHEDRO Cc1cccc2c1ncc(C#N)c2N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000588070542 1072776989 /nfs/dbraw/zinc/77/69/89/1072776989.db2.gz SWOKAGHVGSHHDV-HSZRJFAPSA-N 1 0 411.553 3.811 20 30 HHEDRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccc2)CC1 ZINC000555200069 1073252068 /nfs/dbraw/zinc/25/20/68/1073252068.db2.gz PVKHGNSCGJYSCU-UHFFFAOYSA-N 1 0 400.530 3.590 20 30 HHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000555251084 1073280428 /nfs/dbraw/zinc/28/04/28/1073280428.db2.gz XYZYUICLOAENMW-WOJBJXKFSA-N 1 0 400.615 3.507 20 30 HHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000555244179 1073286283 /nfs/dbraw/zinc/28/62/83/1073286283.db2.gz YAVPXLAMUOUINL-RTBURBONSA-N 1 0 412.582 3.565 20 30 HHEDRO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](Nc1ccc(N)nn1)c1ccnc2ccc(OC)cc21 ZINC001168384581 1073288981 /nfs/dbraw/zinc/28/89/81/1073288981.db2.gz SEVDYXOTJRGBEU-ACVJBKQYSA-N 1 0 416.529 3.665 20 30 HHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555256423 1073290743 /nfs/dbraw/zinc/29/07/43/1073290743.db2.gz ZGTUVQIAGSIZHI-NRFANRHFSA-N 1 0 402.546 3.875 20 30 HHEDRO CC(C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000555263912 1073296218 /nfs/dbraw/zinc/29/62/18/1073296218.db2.gz DPCRRRWSLQCNEI-IBGZPJMESA-N 1 0 416.447 3.785 20 30 HHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555268499 1073300545 /nfs/dbraw/zinc/30/05/45/1073300545.db2.gz MKSZVKUXTDWHJZ-KDURUIRLSA-N 1 0 401.599 3.522 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000555256907 1073304668 /nfs/dbraw/zinc/30/46/68/1073304668.db2.gz XWRKRRLKKUPZBN-UHFFFAOYSA-N 1 0 408.575 3.651 20 30 HHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000555343870 1073354992 /nfs/dbraw/zinc/35/49/92/1073354992.db2.gz DIGXMTDBFYZTME-UNMCSNQZSA-N 1 0 404.562 3.926 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000589981286 1073459730 /nfs/dbraw/zinc/45/97/30/1073459730.db2.gz DUEBETKBBGSOAT-UHFFFAOYSA-N 1 0 406.511 3.625 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590193745 1073639374 /nfs/dbraw/zinc/63/93/74/1073639374.db2.gz RCEPUCBAMCUSEZ-GFCCVEGCSA-N 1 0 411.296 3.584 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000590212899 1073684694 /nfs/dbraw/zinc/68/46/94/1073684694.db2.gz JTRDTUAHSYNMOZ-HNNXBMFYSA-N 1 0 404.580 3.627 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000555687100 1073725273 /nfs/dbraw/zinc/72/52/73/1073725273.db2.gz JWIIEXVEUOKMQP-HXUWFJFHSA-N 1 0 411.571 3.606 20 30 HHEDRO CCCCCCCOc1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3C(=O)OCC)n2)cc1 ZINC001212167554 1074250942 /nfs/dbraw/zinc/25/09/42/1074250942.db2.gz QDCWCQSPTIVFFJ-RTBURBONSA-N 1 0 401.507 3.952 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000591512075 1074346122 /nfs/dbraw/zinc/34/61/22/1074346122.db2.gz XUZHDGOWIIVJFJ-UHFFFAOYSA-N 1 0 422.573 3.923 20 30 HHEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000573490812 1074526555 /nfs/dbraw/zinc/52/65/55/1074526555.db2.gz ZULZMUTZIJASGN-FQEVSTJZSA-N 1 0 405.546 3.943 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1 ZINC000592069292 1074687278 /nfs/dbraw/zinc/68/72/78/1074687278.db2.gz ZBVBSWOEXHYNGW-UHFFFAOYSA-N 1 0 419.451 3.544 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 ZINC000592075516 1074687729 /nfs/dbraw/zinc/68/77/29/1074687729.db2.gz ALQUTWCOPDUCPD-UHFFFAOYSA-N 1 0 410.415 3.801 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC000592302374 1074719801 /nfs/dbraw/zinc/71/98/01/1074719801.db2.gz QIQCVZOPQQLWFB-UHFFFAOYSA-N 1 0 401.551 3.856 20 30 HHEDRO Oc1ccc(Br)cc1/C=N\C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760977990 1074770250 /nfs/dbraw/zinc/77/02/50/1074770250.db2.gz FUDFJPSNBQWTDI-ZIHVZMLCSA-N 1 0 403.320 3.865 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)CC1 ZINC000592526138 1074781259 /nfs/dbraw/zinc/78/12/59/1074781259.db2.gz RANAPSFUCXCKRN-UHFFFAOYSA-N 1 0 417.351 3.649 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000783332490 1075319820 /nfs/dbraw/zinc/31/98/20/1075319820.db2.gz WIIXCFVMLAHYKI-YLZJTPGZSA-N 1 0 406.486 3.951 20 30 HHEDRO N#Cc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c(C(F)(F)F)c1 ZINC000574964648 1075434885 /nfs/dbraw/zinc/43/48/85/1075434885.db2.gz PFQGVHPALWBHHE-UHFFFAOYSA-N 1 0 416.447 3.886 20 30 HHEDRO O=C(c1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1)N1CC[NH2+]CC1 ZINC001168409248 1075558813 /nfs/dbraw/zinc/55/88/13/1075558813.db2.gz HAXNGVZGAVCYMX-UHFFFAOYSA-N 1 0 409.489 3.909 20 30 HHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)cc2c1Cl ZINC001164390120 718827053 /nfs/dbraw/zinc/82/70/53/718827053.db2.gz MULOCYTYWNJVLZ-GJZGRUSLSA-N 1 0 413.255 3.525 20 30 HHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4cccs4)ccc3C#N)CC2)CC1 ZINC001164618603 719032210 /nfs/dbraw/zinc/03/22/10/719032210.db2.gz VKMMUWUCYWIYEG-UHFFFAOYSA-N 1 0 424.570 3.926 20 30 HHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628418 719069187 /nfs/dbraw/zinc/06/91/87/719069187.db2.gz RPWRDASOSHNTJU-YLJYHZDGSA-N 1 0 424.932 3.884 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164621885 719126279 /nfs/dbraw/zinc/12/62/79/719126279.db2.gz NMYDEJZUTPZUFY-GDBMZVCRSA-N 1 0 421.854 3.727 20 30 HHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164711152 720106606 /nfs/dbraw/zinc/10/66/06/720106606.db2.gz OTQHAVPZOMZYIT-GOSISDBHSA-N 1 0 411.937 3.509 20 30 HHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164714150 720112137 /nfs/dbraw/zinc/11/21/37/720112137.db2.gz AGMCNXKQKBFEOD-FQEVSTJZSA-N 1 0 411.937 3.509 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164813618 720192987 /nfs/dbraw/zinc/19/29/87/720192987.db2.gz CRLVPGFIOTXLTQ-JPYJTQIMSA-N 1 0 410.949 3.945 20 30 HHEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)C1 ZINC001164734710 720536811 /nfs/dbraw/zinc/53/68/11/720536811.db2.gz KRGUPBOUHCSAKM-ZDUSSCGKSA-N 1 0 415.328 3.808 20 30 HHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736330 720578470 /nfs/dbraw/zinc/57/84/70/720578470.db2.gz IWXZRSPZQQSGFZ-UHFFFAOYSA-N 1 0 406.921 3.615 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C#N)c(Cl)cc3Cl)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838730 720634617 /nfs/dbraw/zinc/63/46/17/720634617.db2.gz LFVLJIUDLNPKLX-ZRGWGRIASA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccnc(Cl)c1C#N)[C@@H]2C ZINC001164861887 720929895 /nfs/dbraw/zinc/92/98/95/720929895.db2.gz USUUIUCKKIBJMK-CYBMUJFWSA-N 1 0 408.884 3.769 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)[C@H]2C ZINC001164861433 720966853 /nfs/dbraw/zinc/96/68/53/720966853.db2.gz SGLVYYIBXISKSS-ZDUSSCGKSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879430 721150336 /nfs/dbraw/zinc/15/03/36/721150336.db2.gz SDQZIVFZKZILOX-VQTJNVASSA-N 1 0 417.538 3.556 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C#N)cc(Cl)n2)CC1 ZINC001165017395 721837655 /nfs/dbraw/zinc/83/76/55/721837655.db2.gz LGAXCTWBKBRKNY-UHFFFAOYSA-N 1 0 400.910 3.725 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3c(c2C#N)CCCC3)CC1 ZINC001165031266 721845213 /nfs/dbraw/zinc/84/52/13/721845213.db2.gz ZSDBDEYRXBWGLY-UHFFFAOYSA-N 1 0 420.557 3.950 20 30 HHEDRO CCOC(=O)c1cc(C)nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164995249 722196857 /nfs/dbraw/zinc/19/68/57/722196857.db2.gz SVKDEHLICMIMDW-XMMPIXPASA-N 1 0 422.504 3.822 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000301404953 970911357 /nfs/dbraw/zinc/91/13/57/970911357.db2.gz TVDABUNIXGCEHH-QGZVFWFLSA-N 1 0 404.493 3.572 20 30 HHEDRO Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)n2c3ccccc3nc2c1C#N ZINC000301414515 970916415 /nfs/dbraw/zinc/91/64/15/970916415.db2.gz DOOYVLZIIPGXQQ-UHFFFAOYSA-N 1 0 403.530 3.749 20 30 HHEDRO N#Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000301443799 970931023 /nfs/dbraw/zinc/93/10/23/970931023.db2.gz YPENNOUYSIKMEB-UHFFFAOYSA-N 1 0 417.469 3.583 20 30 HHEDRO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)COc1cccc2ccccc21 ZINC000302849963 971352510 /nfs/dbraw/zinc/35/25/10/971352510.db2.gz SOPKVMCWNRQYJO-OAQYLSRUSA-N 1 0 423.557 3.633 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000302940501 971407856 /nfs/dbraw/zinc/40/78/56/971407856.db2.gz AOFOARASFZWRSS-UHFFFAOYSA-N 1 0 422.529 3.954 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1C#N ZINC000303025784 971463144 /nfs/dbraw/zinc/46/31/44/971463144.db2.gz MUPDIMPORCLDOZ-FQEVSTJZSA-N 1 0 424.545 3.980 20 30 HHEDRO Cc1cc(C)c(NC(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000303168730 971539905 /nfs/dbraw/zinc/53/99/05/971539905.db2.gz VGZWPGRASUBSAF-UHFFFAOYSA-N 1 0 408.546 3.873 20 30 HHEDRO CCOc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000303343820 971644708 /nfs/dbraw/zinc/64/47/08/971644708.db2.gz POONINKFTGUMEB-UHFFFAOYSA-N 1 0 410.493 3.514 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000303359758 971657572 /nfs/dbraw/zinc/65/75/72/971657572.db2.gz IVXUZUXQNRHSIC-IBGZPJMESA-N 1 0 422.554 3.564 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000303655085 971934354 /nfs/dbraw/zinc/93/43/54/971934354.db2.gz VCNVAFSKWTZMEZ-IBGZPJMESA-N 1 0 417.619 3.622 20 30 HHEDRO N#CCc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1 ZINC000542212524 1013158645 /nfs/dbraw/zinc/15/86/45/1013158645.db2.gz OHJUGGGSIFHSIS-UHFFFAOYSA-N 1 0 413.319 3.761 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(Cl)cc1Cl ZINC000303873659 972415063 /nfs/dbraw/zinc/41/50/63/972415063.db2.gz CQQSJIYFUNFSAU-ZIAGYGMSSA-N 1 0 422.360 3.779 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(Oc3ccc(F)cc3)nc2)cc1OC ZINC000303897214 972435744 /nfs/dbraw/zinc/43/57/44/972435744.db2.gz QHHMDMORWZUTEP-UHFFFAOYSA-N 1 0 410.449 3.635 20 30 HHEDRO Cc1ccc(C[NH+]=C(NCc2cccnc2N2CCOCC2)Nc2ccccc2)cc1 ZINC000303898566 972436670 /nfs/dbraw/zinc/43/66/70/972436670.db2.gz RCBWJCPXTVDQKS-UHFFFAOYSA-N 1 0 415.541 3.985 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000553249946 1013215309 /nfs/dbraw/zinc/21/53/09/1013215309.db2.gz HASBJWYPUNWGRW-IBGZPJMESA-N 1 0 420.557 3.542 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCc2ccccc2O)c1C#N ZINC000542322515 1013277682 /nfs/dbraw/zinc/27/76/82/1013277682.db2.gz JBWRVCHDVSUYEV-UHFFFAOYSA-N 1 0 420.513 3.827 20 30 HHEDRO CC[NH+](CC)CCn1c(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)nc2ccccc21 ZINC000010653070 961874989 /nfs/dbraw/zinc/87/49/89/961874989.db2.gz ZVYHTWMRWCNYJG-KRWDZBQOSA-N 1 0 405.502 3.656 20 30 HHEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)Nc1ccc(F)cc1)[n+]1cccc(CO)c1 ZINC000010828881 961921767 /nfs/dbraw/zinc/92/17/67/961921767.db2.gz VTPBSWKIIKKXKV-UHFFFAOYSA-O 1 0 417.432 3.935 20 30 HHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553357516 1013297413 /nfs/dbraw/zinc/29/74/13/1013297413.db2.gz SWVLQIHLJGWICS-INIZCTEOSA-N 1 0 405.477 3.979 20 30 HHEDRO O=C(c1ccc(F)cc1F)C(C(=S)Nc1ccccc1F)[n+]1cccc(CO)c1 ZINC000011170582 962022875 /nfs/dbraw/zinc/02/28/75/962022875.db2.gz YIAFOQZKCKHCCK-UHFFFAOYSA-O 1 0 417.432 3.935 20 30 HHEDRO C=CC[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000553377469 1013312491 /nfs/dbraw/zinc/31/24/91/1013312491.db2.gz GJCPUXLTVBDNNH-LOSJGSFVSA-N 1 0 403.570 3.765 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C[C@H](C)O1 ZINC000553444097 1013358062 /nfs/dbraw/zinc/35/80/62/1013358062.db2.gz UBLLGNBTWVFCFK-IYBDPMFKSA-N 1 0 401.942 3.575 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000542425614 1013377850 /nfs/dbraw/zinc/37/78/50/1013377850.db2.gz TXYIDHJKFHXIHL-RBUKOAKNSA-N 1 0 422.529 3.710 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553511092 1013410359 /nfs/dbraw/zinc/41/03/59/1013410359.db2.gz PHCVSFWDENSLND-RUZDIDTESA-N 1 0 406.526 3.998 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)s1)C(=S)NC[C@@H]1CCCO1 ZINC000022691106 963698113 /nfs/dbraw/zinc/69/81/13/963698113.db2.gz ANEMVQWJOIRCPZ-AWEZNQCLSA-O 1 0 409.984 3.959 20 30 HHEDRO Cc1ccc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NCCc2ccccc2)c1 ZINC000022734930 963705711 /nfs/dbraw/zinc/70/57/11/963705711.db2.gz OYWLHGXFNLXDRV-UHFFFAOYSA-O 1 0 420.514 3.962 20 30 HHEDRO C=CCc1cc(OC)cc(C[NH+]2CCN(Cc3ccc(OC)c(F)c3)CC2)c1O ZINC000022775725 963713599 /nfs/dbraw/zinc/71/35/99/963713599.db2.gz RGRXSRRBHSOPEI-UHFFFAOYSA-N 1 0 400.494 3.595 20 30 HHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)cc1[N+](=O)[O-] ZINC000022791182 963718145 /nfs/dbraw/zinc/71/81/45/963718145.db2.gz WBEUWJFIRVLJKB-UHFFFAOYSA-O 1 0 420.514 3.962 20 30 HHEDRO COCCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022793037 963718165 /nfs/dbraw/zinc/71/81/65/963718165.db2.gz RYXOMUCTBXBPRO-UHFFFAOYSA-O 1 0 407.506 3.725 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[NH+](Cc3cccs3)CC2)sc2c1CCCC2 ZINC000022849076 963728199 /nfs/dbraw/zinc/72/81/99/963728199.db2.gz WHDVPPQCMRAFHW-UHFFFAOYSA-N 1 0 414.600 3.706 20 30 HHEDRO CCc1ccc(-c2noc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000022850484 963728639 /nfs/dbraw/zinc/72/86/39/963728639.db2.gz GVOCDBCSCYFGMS-UHFFFAOYSA-N 1 0 401.514 3.879 20 30 HHEDRO Cc1ccc(NC(=S)C(C(=O)c2cccc([N+](=O)[O-])c2)[n+]2cccc(CO)c2)cc1 ZINC000024033733 963928033 /nfs/dbraw/zinc/92/80/33/963928033.db2.gz LMPMGJCOISFKKZ-UHFFFAOYSA-O 1 0 422.486 3.734 20 30 HHEDRO N#Cc1cccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000048745107 964050402 /nfs/dbraw/zinc/05/04/02/964050402.db2.gz KIDBZYLGRPNEON-UHFFFAOYSA-N 1 0 401.489 3.709 20 30 HHEDRO C[C@H](NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000048827756 964068366 /nfs/dbraw/zinc/06/83/66/964068366.db2.gz YXOHEOGPPWPTOK-OTWHNJEPSA-N 1 0 406.530 3.728 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000542531049 1013473288 /nfs/dbraw/zinc/47/32/88/1013473288.db2.gz ISTPQSVPHWHCGN-CMPLNLGQSA-N 1 0 411.428 3.822 20 30 HHEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051052648 964451948 /nfs/dbraw/zinc/45/19/48/964451948.db2.gz KVDLNTTZXIGAMD-RDJZCZTQSA-N 1 0 404.942 3.557 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000542569428 1013510584 /nfs/dbraw/zinc/51/05/84/1013510584.db2.gz OQCCMRPWRSWZSF-HUUCEWRRSA-N 1 0 400.548 3.786 20 30 HHEDRO Cc1ccccc1C[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000026763751 964669607 /nfs/dbraw/zinc/66/96/07/964669607.db2.gz FCRJVQHVHRCCLL-HXUWFJFHSA-N 1 0 408.521 3.587 20 30 HHEDRO Cc1nc(SCC(=O)NCc2ccccc2C[NH+]2CCCC2)c(C#N)c(C)c1C ZINC000052568813 964932984 /nfs/dbraw/zinc/93/29/84/964932984.db2.gz YFOXHCLSHJIVCP-UHFFFAOYSA-N 1 0 408.571 3.883 20 30 HHEDRO Cc1ccc([C@H](NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000028155097 965047510 /nfs/dbraw/zinc/04/75/10/965047510.db2.gz XTBQRGJHKDGNAA-SANMLTNESA-N 1 0 416.569 3.642 20 30 HHEDRO CC(=O)c1ccc(OCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000028690901 965162399 /nfs/dbraw/zinc/16/23/99/965162399.db2.gz DEJQJWVIHVMQGD-UHFFFAOYSA-N 1 0 419.525 3.654 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000053991483 965340422 /nfs/dbraw/zinc/34/04/22/965340422.db2.gz ZEQTWQMARPOYAL-UHFFFAOYSA-N 1 0 416.481 3.520 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c(F)c1 ZINC000054211550 965427964 /nfs/dbraw/zinc/42/79/64/965427964.db2.gz KLEMVPISMHLKEB-OAHLLOKOSA-N 1 0 417.282 3.706 20 30 HHEDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000054394407 965502593 /nfs/dbraw/zinc/50/25/93/965502593.db2.gz QAOVOJUMJINXTP-OAHLLOKOSA-N 1 0 403.548 3.635 20 30 HHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000029985964 965583957 /nfs/dbraw/zinc/58/39/57/965583957.db2.gz MXUCJIQNXLUJSG-UHFFFAOYSA-N 1 0 416.569 3.892 20 30 HHEDRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000058397316 965719253 /nfs/dbraw/zinc/71/92/53/965719253.db2.gz AZWTYMJWOFUQKT-SFHVURJKSA-N 1 0 421.310 3.916 20 30 HHEDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1Br ZINC000030537456 965722435 /nfs/dbraw/zinc/72/24/35/965722435.db2.gz JQYKVLJUWYABQC-YOEHRIQHSA-N 1 0 419.319 3.614 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000058580538 965793013 /nfs/dbraw/zinc/79/30/13/965793013.db2.gz GJTCVTVPQIGSCO-SFHVURJKSA-N 1 0 420.340 3.817 20 30 HHEDRO CC(=O)c1cccc(OCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000058789538 965900177 /nfs/dbraw/zinc/90/01/77/965900177.db2.gz SRXUEWXLIRSPSU-UHFFFAOYSA-N 1 0 419.525 3.654 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000055870341 966111255 /nfs/dbraw/zinc/11/12/55/966111255.db2.gz UBVQZTAVHJSIPW-HOTGVXAUSA-N 1 0 412.921 3.871 20 30 HHEDRO N#Cc1ccccc1COc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032161744 966197391 /nfs/dbraw/zinc/19/73/91/966197391.db2.gz AJFNXWQGGDZZHZ-UHFFFAOYSA-N 1 0 411.505 3.925 20 30 HHEDRO Cc1nc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)sc1SCC#N ZINC000061161995 966385886 /nfs/dbraw/zinc/38/58/86/966385886.db2.gz AVERUPKVTXTOOK-UHFFFAOYSA-N 1 0 415.588 3.850 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1)CC(C)C ZINC000538088485 1013661267 /nfs/dbraw/zinc/66/12/67/1013661267.db2.gz BRVOJKHSAFRZGE-UHFFFAOYSA-N 1 0 418.969 3.757 20 30 HHEDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542760148 1013665863 /nfs/dbraw/zinc/66/58/63/1013665863.db2.gz LTQIUDVVXPWSFL-IBGZPJMESA-N 1 0 420.557 3.774 20 30 HHEDRO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643707 966819083 /nfs/dbraw/zinc/81/90/83/966819083.db2.gz ZDGURVYQGIEHCB-INIZCTEOSA-N 1 0 414.912 3.886 20 30 HHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000538123972 1013685967 /nfs/dbraw/zinc/68/59/67/1013685967.db2.gz FXLOPIJFJLGKKW-PGRDOPGGSA-N 1 0 403.482 3.623 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC ZINC000538125746 1013687854 /nfs/dbraw/zinc/68/78/54/1013687854.db2.gz FSKAXCPMTKWPPU-LBPRGKRZSA-N 1 0 403.504 3.552 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000542837834 1013699768 /nfs/dbraw/zinc/69/97/68/1013699768.db2.gz SAXQNCYMDWLLDV-GOSISDBHSA-N 1 0 418.476 3.669 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccccc1CC ZINC000044557812 967240481 /nfs/dbraw/zinc/24/04/81/967240481.db2.gz OLOWVMJPEBRGFL-UHFFFAOYSA-O 1 0 408.547 3.526 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044566412 967241475 /nfs/dbraw/zinc/24/14/75/967241475.db2.gz UFXXVBRMZDLTSI-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 ZINC000064754488 967284048 /nfs/dbraw/zinc/28/40/48/967284048.db2.gz CZRHERTXJPMCJO-UHFFFAOYSA-N 1 0 403.448 3.830 20 30 HHEDRO C=CC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccc(Cl)s1 ZINC000044850413 967302522 /nfs/dbraw/zinc/30/25/22/967302522.db2.gz DXYFKMQYIVITAU-UHFFFAOYSA-N 1 0 404.967 3.523 20 30 HHEDRO C[C@H]1CCC[C@@](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)([NH+](C)C)C1 ZINC000553947206 1013716217 /nfs/dbraw/zinc/71/62/17/1013716217.db2.gz YCHABFUKVDMSON-GAJHUEQPSA-N 1 0 416.541 3.761 20 30 HHEDRO CCOC(=O)c1cnc2ccccc2c1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000065226878 967413543 /nfs/dbraw/zinc/41/35/43/967413543.db2.gz NMKQQLLXPIYCFG-UHFFFAOYSA-N 1 0 414.509 3.995 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000045986927 967621793 /nfs/dbraw/zinc/62/17/93/967621793.db2.gz RFKKMSCSAGXVAZ-UHFFFAOYSA-N 1 0 419.573 3.822 20 30 HHEDRO C[C@H](OC[C@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086919 967656957 /nfs/dbraw/zinc/65/69/57/967656957.db2.gz ICAWFWLOMYDHHY-PGRDOPGGSA-N 1 0 413.949 3.862 20 30 HHEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cc2c(cc1Br)OCCO2 ZINC000538181144 1013739547 /nfs/dbraw/zinc/73/95/47/1013739547.db2.gz VOYBGLXZCJUKNI-ZDUSSCGKSA-N 1 0 403.276 3.822 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)c1C#N ZINC000542914537 1013754223 /nfs/dbraw/zinc/75/42/23/1013754223.db2.gz QKJSPCDEMNBBLJ-NRFANRHFSA-N 1 0 412.509 3.574 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](CO)C2CCCCC2)c1C#N ZINC000542914540 1013754241 /nfs/dbraw/zinc/75/42/41/1013754241.db2.gz QKJSPCDEMNBBLJ-OAQYLSRUSA-N 1 0 412.509 3.574 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000046760974 967956630 /nfs/dbraw/zinc/95/66/30/967956630.db2.gz YNXVZWCUVFKLRD-OYRHEFFESA-N 1 0 411.594 3.538 20 30 HHEDRO C=CCN(CC=C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000046852118 967991154 /nfs/dbraw/zinc/99/11/54/967991154.db2.gz PSKXKYBQRZPOIA-UHFFFAOYSA-N 1 0 404.558 3.892 20 30 HHEDRO Cc1oc(-c2cccs2)nc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047010168 968030654 /nfs/dbraw/zinc/03/06/54/968030654.db2.gz LHRSRIVSGNYLHW-UHFFFAOYSA-N 1 0 408.527 3.716 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000047011701 968031153 /nfs/dbraw/zinc/03/11/53/968031153.db2.gz JAPSZWSICDKVKV-UHFFFAOYSA-N 1 0 402.498 3.736 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000047011788 968031455 /nfs/dbraw/zinc/03/14/55/968031455.db2.gz CIHHIWISRHVITA-UHFFFAOYSA-N 1 0 407.905 3.806 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538237045 1013785483 /nfs/dbraw/zinc/78/54/83/1013785483.db2.gz HILBSOQOYRFOOV-OALUTQOASA-N 1 0 417.513 3.867 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)n1 ZINC000542955166 1013785651 /nfs/dbraw/zinc/78/56/51/1013785651.db2.gz CEUBLEVRYLPYGK-UHFFFAOYSA-N 1 0 400.914 3.831 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911336 968359817 /nfs/dbraw/zinc/35/98/17/968359817.db2.gz GSSRYKDCUVFYIM-RDJZCZTQSA-N 1 0 410.326 3.845 20 30 HHEDRO CC[NH+]1CCN(c2ccc(NC(=O)CSCc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000048214235 968486574 /nfs/dbraw/zinc/48/65/74/968486574.db2.gz AHYKWDRYPJCDDP-UHFFFAOYSA-N 1 0 408.571 3.881 20 30 HHEDRO C[C@@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000554114206 1013803579 /nfs/dbraw/zinc/80/35/79/1013803579.db2.gz BMNOQONUKCGAHX-OAHLLOKOSA-N 1 0 419.497 3.730 20 30 HHEDRO CC1(C)Oc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2O1 ZINC000048546825 968596166 /nfs/dbraw/zinc/59/61/66/968596166.db2.gz JIVSEKYNOKQLKI-UHFFFAOYSA-N 1 0 406.486 3.805 20 30 HHEDRO C=CCc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc(OC)c1OC ZINC000065746835 968622609 /nfs/dbraw/zinc/62/26/09/968622609.db2.gz IGZSDXDMZKBTBK-UHFFFAOYSA-N 1 0 411.502 3.575 20 30 HHEDRO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1Cl ZINC000065875688 968694440 /nfs/dbraw/zinc/69/44/40/968694440.db2.gz NZJHJTZRERMFLW-UHFFFAOYSA-N 1 0 410.905 3.817 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000065930425 968720448 /nfs/dbraw/zinc/72/04/48/968720448.db2.gz HHROICCXQVOGPQ-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO Cc1ccc(C)n1-c1nc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cs1 ZINC000065930467 968720498 /nfs/dbraw/zinc/72/04/98/968720498.db2.gz LOPXAMISXUTINU-UHFFFAOYSA-N 1 0 421.570 3.555 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1C(F)(F)F ZINC000065930539 968720882 /nfs/dbraw/zinc/72/08/82/968720882.db2.gz BVMDCAHOOZZIGD-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1OC ZINC000065937327 968726068 /nfs/dbraw/zinc/72/60/68/968726068.db2.gz YBVKLHIAECUNBV-UHFFFAOYSA-N 1 0 404.457 3.742 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000065975254 968747023 /nfs/dbraw/zinc/74/70/23/968747023.db2.gz ZYMZFQMCACSTCD-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CCC(=O)Nc2ccccn2)cc1OC ZINC000065977854 968748347 /nfs/dbraw/zinc/74/83/47/968748347.db2.gz IUAPIFPWLLITDK-UHFFFAOYSA-N 1 0 420.307 3.536 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000071952238 968904977 /nfs/dbraw/zinc/90/49/77/968904977.db2.gz RDMVKTXOAMKDFG-HSZRJFAPSA-N 1 0 402.542 3.654 20 30 HHEDRO C=CCN(CC=C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096969271 969066731 /nfs/dbraw/zinc/06/67/31/969066731.db2.gz RCUNGWRAQQNBKQ-UHFFFAOYSA-N 1 0 404.558 3.621 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000097357757 969126379 /nfs/dbraw/zinc/12/63/79/969126379.db2.gz AITARENLBPLHCH-HXUWFJFHSA-N 1 0 403.448 3.529 20 30 HHEDRO C[C@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)Nc1ccc(F)cc1F ZINC000097571299 969165398 /nfs/dbraw/zinc/16/53/98/969165398.db2.gz GVKFCLTYTZVVCX-HNNXBMFYSA-N 1 0 416.472 3.615 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000107578953 969317130 /nfs/dbraw/zinc/31/71/30/969317130.db2.gz DCGJSBFTMDYHIR-GOSISDBHSA-N 1 0 413.543 3.741 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000108269046 969369346 /nfs/dbraw/zinc/36/93/46/969369346.db2.gz POYDSXBXJZSBQC-UHFFFAOYSA-N 1 0 422.916 3.729 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000554253855 1013877297 /nfs/dbraw/zinc/87/72/97/1013877297.db2.gz RXELMABOVUEUKB-OAQYLSRUSA-N 1 0 404.514 3.692 20 30 HHEDRO C#CC[N@@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000110981592 969753629 /nfs/dbraw/zinc/75/36/29/969753629.db2.gz UDVXMQWSUBAHQD-FQEVSTJZSA-N 1 0 408.498 3.664 20 30 HHEDRO Cc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)C2)n1 ZINC000110985508 969754423 /nfs/dbraw/zinc/75/44/23/969754423.db2.gz OIJSRYDWLOEWDD-UKRRQHHQSA-N 1 0 413.547 3.644 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000111176563 969794545 /nfs/dbraw/zinc/79/45/45/969794545.db2.gz CCCMFLCHLMXIMW-HSZRJFAPSA-N 1 0 417.488 3.757 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000111200809 969801365 /nfs/dbraw/zinc/80/13/65/969801365.db2.gz JFTMYZLFCIRYRN-WOJBJXKFSA-N 1 0 412.578 3.586 20 30 HHEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1OC ZINC000116072561 969870638 /nfs/dbraw/zinc/87/06/38/969870638.db2.gz ATBLHBWYEPMKEC-UHFFFAOYSA-N 1 0 404.457 3.742 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000195661863 969940601 /nfs/dbraw/zinc/94/06/01/969940601.db2.gz PLQCIDXPABQQMR-FQEVSTJZSA-N 1 0 411.546 3.959 20 30 HHEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)CC1 ZINC000215984418 970058668 /nfs/dbraw/zinc/05/86/68/970058668.db2.gz JGSHNQRFAMQPQJ-UHFFFAOYSA-N 1 0 416.569 3.767 20 30 HHEDRO C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](c2ccccc2)C1 ZINC000216351543 970071600 /nfs/dbraw/zinc/07/16/00/970071600.db2.gz CYENJJSSDMSWBP-HXUWFJFHSA-N 1 0 408.571 3.816 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000218894786 970087334 /nfs/dbraw/zinc/08/73/34/970087334.db2.gz OBDJDIZVSAHCMI-JKSUJKDBSA-N 1 0 423.483 3.741 20 30 HHEDRO Cc1cccc(N2CCN(CCC[NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000237203728 970240727 /nfs/dbraw/zinc/24/07/27/970240727.db2.gz FFMWOKGGQGUROG-UHFFFAOYSA-N 1 0 405.590 3.647 20 30 HHEDRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000237449482 970290944 /nfs/dbraw/zinc/29/09/44/970290944.db2.gz PWYSTKSWFWRSPN-UHFFFAOYSA-N 1 0 415.493 3.665 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000150333548 970442948 /nfs/dbraw/zinc/44/29/48/970442948.db2.gz OYRLBYWDKGYQKX-FXAWDEMLSA-N 1 0 407.562 3.931 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC ZINC000554725776 1014032355 /nfs/dbraw/zinc/03/23/55/1014032355.db2.gz LNZIQPNKABIGMS-MRXNPFEDSA-N 1 0 400.441 3.683 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(OCc2ccccc2)c1 ZINC000554740353 1014035401 /nfs/dbraw/zinc/03/54/01/1014035401.db2.gz GDFPFFFIJDWLGM-SFHVURJKSA-N 1 0 421.522 3.657 20 30 HHEDRO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000303970195 972557010 /nfs/dbraw/zinc/55/70/10/972557010.db2.gz CJZIRBBIWCUNLN-JKSUJKDBSA-N 1 0 402.292 3.893 20 30 HHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccccc1CS(C)(=O)=O ZINC000304754138 972603919 /nfs/dbraw/zinc/60/39/19/972603919.db2.gz LPZRIIVQQDBLND-UHFFFAOYSA-N 1 0 401.576 3.575 20 30 HHEDRO Cc1ccc(-n2nc(CCCNC(=[NH2+])Nc3cc(C)cc(C)c3)c(C#N)c2N)cc1 ZINC000304774171 972607264 /nfs/dbraw/zinc/60/72/64/972607264.db2.gz BSIRALYDJMIWCQ-UHFFFAOYSA-N 1 0 401.518 3.611 20 30 HHEDRO C[NH+](C)CCOc1cccc(-c2noc([C@@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c1 ZINC000554808417 1014052970 /nfs/dbraw/zinc/05/29/70/1014052970.db2.gz JDNHGQVJLMFNOK-GOSISDBHSA-N 1 0 421.476 3.682 20 30 HHEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000397990069 972873809 /nfs/dbraw/zinc/87/38/09/972873809.db2.gz NZLQOAJYMPDJRH-UHFFFAOYSA-N 1 0 411.340 3.856 20 30 HHEDRO N#Cc1ccc(Br)cc1N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404215813 972883435 /nfs/dbraw/zinc/88/34/35/972883435.db2.gz XJBDIFWHOCQZFH-NHCUHLMSSA-N 1 0 412.331 3.800 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409562501 973014111 /nfs/dbraw/zinc/01/41/11/973014111.db2.gz RDIOUQMHPQBBHY-IIAWOOMASA-N 1 0 415.481 3.603 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409756962 973233332 /nfs/dbraw/zinc/23/33/32/973233332.db2.gz AXIOJGHFGZZOIM-JOCHJYFZSA-N 1 0 413.525 3.728 20 30 HHEDRO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000410312082 973855615 /nfs/dbraw/zinc/85/56/15/973855615.db2.gz MXDODDOPKPSWJM-UHFFFAOYSA-N 1 0 408.340 3.728 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2c(F)cccc2Oc2ccccc2)CC1 ZINC000410330532 973904834 /nfs/dbraw/zinc/90/48/34/973904834.db2.gz OLMUMTZXBKNSFB-UHFFFAOYSA-N 1 0 411.477 3.713 20 30 HHEDRO N#Cc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000426136886 974258263 /nfs/dbraw/zinc/25/82/63/974258263.db2.gz CBCSZYCDLHXXMG-UHFFFAOYSA-N 1 0 411.937 3.936 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000426536638 974513833 /nfs/dbraw/zinc/51/38/33/974513833.db2.gz BVSMOKJVHYTBQR-QZTJIDSGSA-N 1 0 411.999 3.867 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000426536639 974513937 /nfs/dbraw/zinc/51/39/37/974513937.db2.gz BVSMOKJVHYTBQR-ROUUACIJSA-N 1 0 411.999 3.867 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000426551828 974523535 /nfs/dbraw/zinc/52/35/35/974523535.db2.gz HSNYDOXRPAYUPX-UHFFFAOYSA-N 1 0 408.428 3.590 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000427822433 975308861 /nfs/dbraw/zinc/30/88/61/975308861.db2.gz DMIVBQKVSQNTLL-XFQAVAEZSA-N 1 0 413.543 3.684 20 30 HHEDRO CC1(C)CCCc2cc(C#N)c(N3CC[NH+](CCCOCC(F)(F)F)CC3)nc21 ZINC000428094784 975431341 /nfs/dbraw/zinc/43/13/41/975431341.db2.gz WPQCMIFWDOCRBT-UHFFFAOYSA-N 1 0 410.484 3.658 20 30 HHEDRO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)cc1F ZINC000428775706 976048925 /nfs/dbraw/zinc/04/89/25/976048925.db2.gz AQGKIMJSGNBGNJ-SFHVURJKSA-N 1 0 407.449 3.537 20 30 HHEDRO COCc1cccc(OCC2(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)CCC2)c1 ZINC000428793624 976069842 /nfs/dbraw/zinc/06/98/42/976069842.db2.gz KTEIFRCVIVPQHA-QFIPXVFZSA-N 1 0 407.514 3.802 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000428801522 976079385 /nfs/dbraw/zinc/07/93/85/976079385.db2.gz HWGBRRVZFMJYIL-ISKFKSNPSA-N 1 0 415.493 3.513 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)sc2c1CCCCC2 ZINC000429006082 976286641 /nfs/dbraw/zinc/28/66/41/976286641.db2.gz KNDHTIPMTXXJCM-KRWDZBQOSA-N 1 0 401.576 3.966 20 30 HHEDRO N#Cc1ccc(CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429036070 976319395 /nfs/dbraw/zinc/31/93/95/976319395.db2.gz QMJDTUDGQYZDHU-XMMPIXPASA-N 1 0 418.541 3.523 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000429057054 976344308 /nfs/dbraw/zinc/34/43/08/976344308.db2.gz VZHQYLLCQNQHRN-MRXNPFEDSA-N 1 0 410.909 3.894 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000429222149 976515552 /nfs/dbraw/zinc/51/55/52/976515552.db2.gz PYTYMAKNSRMGLQ-IYBDPMFKSA-N 1 0 404.942 3.955 20 30 HHEDRO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H]1C(C)C ZINC000429354872 976621170 /nfs/dbraw/zinc/62/11/70/976621170.db2.gz PPUDBWWNDVZUPW-FTRWYGJKSA-N 1 0 403.548 3.539 20 30 HHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000429385688 976659128 /nfs/dbraw/zinc/65/91/28/976659128.db2.gz IEVQPQFQNLYBMG-XMMPIXPASA-N 1 0 424.633 3.994 20 30 HHEDRO Cc1noc(C[C@@H]([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c2ccccc2)n1 ZINC000429554494 976822987 /nfs/dbraw/zinc/82/29/87/976822987.db2.gz BHIHIEGZEUUDRM-JOCHJYFZSA-N 1 0 417.513 3.815 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429595044 976873102 /nfs/dbraw/zinc/87/31/02/976873102.db2.gz UHCZAASVYWSXER-KDURUIRLSA-N 1 0 407.562 3.950 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000429793903 977071812 /nfs/dbraw/zinc/07/18/12/977071812.db2.gz NLKBZCJKWIAKJH-UHFFFAOYSA-N 1 0 422.529 3.644 20 30 HHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000430107996 977322732 /nfs/dbraw/zinc/32/27/32/977322732.db2.gz SWHYVEQICRQHLN-VWLOTQADSA-N 1 0 414.509 3.780 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)CC1 ZINC000430571154 977637720 /nfs/dbraw/zinc/63/77/20/977637720.db2.gz LJOGSGZFZWQCON-UHFFFAOYSA-N 1 0 415.969 3.826 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cccc(SCC#N)c1 ZINC000430669456 977681092 /nfs/dbraw/zinc/68/10/92/977681092.db2.gz KVQMDIDWZJXTLJ-UHFFFAOYSA-N 1 0 414.619 3.571 20 30 HHEDRO C=CCN1C(=O)N(Cc2ccccc2C[NH+]2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430770873 977746711 /nfs/dbraw/zinc/74/67/11/977746711.db2.gz AASSBXIBDJJNLC-HSZRJFAPSA-N 1 0 403.526 3.844 20 30 HHEDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)c1ccccc1 ZINC000430870402 977834218 /nfs/dbraw/zinc/83/42/18/977834218.db2.gz UKEJSANPXUJIPE-NRFANRHFSA-N 1 0 413.525 3.949 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H](c2cccs2)[NH+]2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430969752 977919394 /nfs/dbraw/zinc/91/93/94/977919394.db2.gz FEGUBWFBPQDMNS-PMACEKPBSA-N 1 0 409.555 3.947 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431224089 978104903 /nfs/dbraw/zinc/10/49/03/978104903.db2.gz MJOOOWAJRXJAOL-WWPVKYPJSA-N 1 0 403.526 3.568 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000431399573 978273820 /nfs/dbraw/zinc/27/38/20/978273820.db2.gz AAFAFJQGOXYCNR-XMSQKQJNSA-N 1 0 406.530 3.777 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](Oc4ccncc4)C3)sc2C1 ZINC000431610378 978382729 /nfs/dbraw/zinc/38/27/29/978382729.db2.gz PXSRRPKXSLUTLK-DOTOQJQBSA-N 1 0 410.543 3.621 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000431760242 978491074 /nfs/dbraw/zinc/49/10/74/978491074.db2.gz RNZALDHJXMFHSJ-CQSZACIVSA-N 1 0 403.914 3.791 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCCO1 ZINC000432566975 978891439 /nfs/dbraw/zinc/89/14/39/978891439.db2.gz FAEOABYAMQXQJB-LJQANCHMSA-N 1 0 407.514 3.776 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)[NH+](C)C)cc1 ZINC000432591503 978903590 /nfs/dbraw/zinc/90/35/90/978903590.db2.gz FLWUXGAMDZNHBD-QFIPXVFZSA-N 1 0 406.530 3.649 20 30 HHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)C1 ZINC000432676791 978933051 /nfs/dbraw/zinc/93/30/51/978933051.db2.gz HRBRYLBCQQTLII-DEOSSOPVSA-N 1 0 404.514 3.891 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[NH2+][C@H]1CC3CCC1CC3)CCCC2 ZINC000433004569 979039171 /nfs/dbraw/zinc/03/91/71/979039171.db2.gz FVLHRJIPLFQXAM-PKZBPHAMSA-N 1 0 410.562 3.524 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000433009173 979040688 /nfs/dbraw/zinc/04/06/88/979040688.db2.gz GQHPPVCHLLGGTM-GOSISDBHSA-N 1 0 408.893 3.884 20 30 HHEDRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433021477 979044410 /nfs/dbraw/zinc/04/44/10/979044410.db2.gz XIQXNTXETSTZTI-NHCUHLMSSA-N 1 0 407.514 3.700 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180807 979124353 /nfs/dbraw/zinc/12/43/53/979124353.db2.gz YVGLPHSKATWYID-HXUWFJFHSA-N 1 0 402.542 3.873 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2cc(Br)cs2)c(-c2ccncc2)n1 ZINC000433320446 979234693 /nfs/dbraw/zinc/23/46/93/979234693.db2.gz LNUIVQOZMBYWRY-UHFFFAOYSA-N 1 0 402.321 3.973 20 30 HHEDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433330046 979241637 /nfs/dbraw/zinc/24/16/37/979241637.db2.gz ASQHVQSPQKBWJG-UHFFFAOYSA-N 1 0 413.428 3.759 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccncc2)n1 ZINC000433332230 979242566 /nfs/dbraw/zinc/24/25/66/979242566.db2.gz SYWAGHGWPUTQQZ-SFHVURJKSA-N 1 0 408.456 3.505 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c(-c2ccncc2)n1 ZINC000433339753 979248500 /nfs/dbraw/zinc/24/85/00/979248500.db2.gz BRJHCZSNVKJWLO-UHFFFAOYSA-N 1 0 415.526 3.710 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433366820 979257957 /nfs/dbraw/zinc/25/79/57/979257957.db2.gz OVDLVKQIXGJNNZ-PKTZIBPZSA-N 1 0 405.542 3.978 20 30 HHEDRO C[N@H+](Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCCC1 ZINC000433528341 979359896 /nfs/dbraw/zinc/35/98/96/979359896.db2.gz MMPXGJJJCULOBA-UHFFFAOYSA-N 1 0 422.504 3.717 20 30 HHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C#N ZINC000434314620 980076042 /nfs/dbraw/zinc/07/60/42/980076042.db2.gz MFMCGKFSLOORCY-OAQYLSRUSA-N 1 0 415.497 3.528 20 30 HHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434788094 980399066 /nfs/dbraw/zinc/39/90/66/980399066.db2.gz XNQCDROAXFBPLT-UYAOXDASSA-N 1 0 404.297 3.784 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(-c2ccncc2)n1 ZINC000434981135 980547036 /nfs/dbraw/zinc/54/70/36/980547036.db2.gz CZDMRFFYUOGLDF-UHFFFAOYSA-N 1 0 419.504 3.567 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000434993577 980555658 /nfs/dbraw/zinc/55/56/58/980555658.db2.gz ZLIHBTINDQPZMA-UHFFFAOYSA-N 1 0 415.541 3.676 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000435025000 980580060 /nfs/dbraw/zinc/58/00/60/980580060.db2.gz GWDCNATXCQTILQ-XUZZJYLKSA-N 1 0 420.582 3.713 20 30 HHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000435025382 980580585 /nfs/dbraw/zinc/58/05/85/980580585.db2.gz ISRWIXVUWYDVHI-UKILVPOCSA-N 1 0 403.526 3.760 20 30 HHEDRO CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000435137405 980668841 /nfs/dbraw/zinc/66/88/41/980668841.db2.gz LHGGUXNVUPHPST-UHFFFAOYSA-N 1 0 414.557 3.955 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435375958 980825205 /nfs/dbraw/zinc/82/52/05/980825205.db2.gz XFAXVZHAWNYHTL-RXVVDRJESA-N 1 0 415.497 3.608 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(C(F)(F)F)c1 ZINC000435629470 980967222 /nfs/dbraw/zinc/96/72/22/980967222.db2.gz XOZVWOVNLKOIIM-MRXNPFEDSA-N 1 0 415.481 3.652 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000435737092 981009730 /nfs/dbraw/zinc/00/97/30/981009730.db2.gz DLKWRAKLBSZOIU-SJCJKPOMSA-N 1 0 404.385 3.615 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000435737091 981009783 /nfs/dbraw/zinc/00/97/83/981009783.db2.gz DLKWRAKLBSZOIU-PXAZEXFGSA-N 1 0 404.385 3.615 20 30 HHEDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000435781684 981028592 /nfs/dbraw/zinc/02/85/92/981028592.db2.gz LKTXMOUAPZVMOS-QHCPKHFHSA-N 1 0 411.509 3.612 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000436095372 981197527 /nfs/dbraw/zinc/19/75/27/981197527.db2.gz ACCMANYNICOZLK-UHFFFAOYSA-N 1 0 416.569 3.617 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000436176462 981235858 /nfs/dbraw/zinc/23/58/58/981235858.db2.gz QNKVODYZAULDQN-UHFFFAOYSA-N 1 0 422.916 3.982 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000436324784 981299753 /nfs/dbraw/zinc/29/97/53/981299753.db2.gz MJKIFNBGPUKXGA-JWQCQUIFSA-N 1 0 416.569 3.887 20 30 HHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000436347036 981315530 /nfs/dbraw/zinc/31/55/30/981315530.db2.gz QWIZKEGJCLECOE-IBGZPJMESA-N 1 0 408.452 3.953 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436376654 981335914 /nfs/dbraw/zinc/33/59/14/981335914.db2.gz CMZNHQAAPZACEK-LJQANCHMSA-N 1 0 400.523 3.502 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000437101659 981761670 /nfs/dbraw/zinc/76/16/70/981761670.db2.gz DQZDDNRIOQNNIL-QETWGEEDSA-N 1 0 403.461 3.952 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000460265564 982042417 /nfs/dbraw/zinc/04/24/17/982042417.db2.gz LJJNDKLKHOHJMW-NRFANRHFSA-N 1 0 417.431 3.508 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460272617 982048824 /nfs/dbraw/zinc/04/88/24/982048824.db2.gz ZQGMDVCAZHCCSY-RBUKOAKNSA-N 1 0 400.530 3.936 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460287378 982063287 /nfs/dbraw/zinc/06/32/87/982063287.db2.gz GFQSDLYFUBNLKI-JOCHJYFZSA-N 1 0 400.530 3.937 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000460353956 982127447 /nfs/dbraw/zinc/12/74/47/982127447.db2.gz HZPABFCFDPZXMZ-ROUUACIJSA-N 1 0 401.514 3.854 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460380662 982159227 /nfs/dbraw/zinc/15/92/27/982159227.db2.gz ACNVFRXJVJYMOR-NRFANRHFSA-N 1 0 420.561 3.760 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460383141 982161599 /nfs/dbraw/zinc/16/15/99/982161599.db2.gz DFDTZNXOIZDCDF-QUCCMNQESA-N 1 0 408.550 3.614 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000460395165 982175198 /nfs/dbraw/zinc/17/51/98/982175198.db2.gz VEISUGAIHZCMSB-UHFFFAOYSA-N 1 0 424.346 3.905 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2nc3ccccc3n2C)c(OC)c1 ZINC000437602005 982223801 /nfs/dbraw/zinc/22/38/01/982223801.db2.gz KIZRWNHDFZWMHG-UGKGYDQZSA-N 1 0 421.541 3.887 20 30 HHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437717145 982314837 /nfs/dbraw/zinc/31/48/37/982314837.db2.gz AKHAOJGYRVOZHN-JXQFQVJHSA-N 1 0 418.541 3.729 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460547040 982333733 /nfs/dbraw/zinc/33/37/33/982333733.db2.gz WKRQPRKLABFDKO-UGKGYDQZSA-N 1 0 419.577 3.917 20 30 HHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460550635 982337104 /nfs/dbraw/zinc/33/71/04/982337104.db2.gz WXBVJTRBBUELTA-UHFFFAOYSA-N 1 0 413.529 3.500 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460555319 982341609 /nfs/dbraw/zinc/34/16/09/982341609.db2.gz SYXDMJACKFFISJ-RBUKOAKNSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460555317 982341800 /nfs/dbraw/zinc/34/18/00/982341800.db2.gz SYXDMJACKFFISJ-OALUTQOASA-N 1 0 413.566 3.751 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)c1 ZINC000437773598 982347457 /nfs/dbraw/zinc/34/74/57/982347457.db2.gz MHNWEWZFYVLGLR-FDDCHVKYSA-N 1 0 419.525 3.819 20 30 HHEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460567586 982352658 /nfs/dbraw/zinc/35/26/58/982352658.db2.gz OVGPJGFVQPHZIQ-FQEVSTJZSA-N 1 0 419.614 3.671 20 30 HHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460583674 982368051 /nfs/dbraw/zinc/36/80/51/982368051.db2.gz KYVFSYSFPPQPKA-TZIWHRDSSA-N 1 0 404.562 3.920 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437807083 982368730 /nfs/dbraw/zinc/36/87/30/982368730.db2.gz VWRUNOBHUOUIIW-SMOSDQRPSA-N 1 0 409.933 3.752 20 30 HHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460584423 982369146 /nfs/dbraw/zinc/36/91/46/982369146.db2.gz NOFNTFNXCGWZPU-VXSCBNMQSA-N 1 0 407.562 3.520 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000437848855 982405866 /nfs/dbraw/zinc/40/58/66/982405866.db2.gz OJDXTMVBKLPIOQ-KRWDZBQOSA-N 1 0 407.518 3.591 20 30 HHEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000437883709 982434767 /nfs/dbraw/zinc/43/47/67/982434767.db2.gz PAVGAUCPNLILPH-KKSFZXQISA-N 1 0 405.502 3.757 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460800381 982552423 /nfs/dbraw/zinc/55/24/23/982552423.db2.gz DJWQJRSJMGQJAW-WIOPSUGQSA-N 1 0 421.589 3.851 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000438059284 982560556 /nfs/dbraw/zinc/56/05/56/982560556.db2.gz TVQQTJNGKUFOGR-KRWDZBQOSA-N 1 0 403.596 3.571 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000438196964 982645912 /nfs/dbraw/zinc/64/59/12/982645912.db2.gz HTHASGFVGZFNMP-FCEUIQTBSA-N 1 0 401.551 3.503 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000438196967 982646628 /nfs/dbraw/zinc/64/66/28/982646628.db2.gz HTHASGFVGZFNMP-HJNYFJLDSA-N 1 0 401.551 3.503 20 30 HHEDRO C=C(C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460937743 982676006 /nfs/dbraw/zinc/67/60/06/982676006.db2.gz IHWZLONFQKPMLH-FQEVSTJZSA-N 1 0 423.605 3.870 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460944812 982680996 /nfs/dbraw/zinc/68/09/96/982680996.db2.gz SWAOYJDGUKBFQL-INIZCTEOSA-N 1 0 401.580 3.581 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460950115 982684351 /nfs/dbraw/zinc/68/43/51/982684351.db2.gz DRPVCSKNERATBN-NHCUHLMSSA-N 1 0 416.573 3.939 20 30 HHEDRO CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438661796 982979826 /nfs/dbraw/zinc/97/98/26/982979826.db2.gz AQRIZXGVRNWLII-VQIMIIECSA-N 1 0 424.932 3.834 20 30 HHEDRO C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000461435073 983098226 /nfs/dbraw/zinc/09/82/26/983098226.db2.gz GXZSBBYTZFPPLQ-YADHBBJMSA-N 1 0 406.526 3.854 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)CC2)c1 ZINC000461453961 983119787 /nfs/dbraw/zinc/11/97/87/983119787.db2.gz ZHSCQTZZTXZVIF-LEWJYISDSA-N 1 0 403.501 3.709 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)CC2)C[C@H](C)O1 ZINC000439153649 983277359 /nfs/dbraw/zinc/27/73/59/983277359.db2.gz MJBAZBMZMDNJMI-OKILXGFUSA-N 1 0 418.463 3.849 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000439231425 983321027 /nfs/dbraw/zinc/32/10/27/983321027.db2.gz BDMBMZDWWOPENR-GOSISDBHSA-N 1 0 417.962 3.744 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000439367222 983381158 /nfs/dbraw/zinc/38/11/58/983381158.db2.gz DHMRBCJIZXDGEW-UHFFFAOYSA-N 1 0 407.514 3.857 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000439437636 983408509 /nfs/dbraw/zinc/40/85/09/983408509.db2.gz ZOTWOBRMITUPML-ROUUACIJSA-N 1 0 416.591 3.504 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000439454649 983417804 /nfs/dbraw/zinc/41/78/04/983417804.db2.gz OGHCUXMMCQXNAZ-QZTJIDSGSA-N 1 0 416.591 3.646 20 30 HHEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000439575006 983457011 /nfs/dbraw/zinc/45/70/11/983457011.db2.gz UDUOFKKUPPLRPR-IBGZPJMESA-N 1 0 409.505 3.799 20 30 HHEDRO CCCc1c(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439673872 983495456 /nfs/dbraw/zinc/49/54/56/983495456.db2.gz VRSMNCFFQSKKBJ-SFHVURJKSA-N 1 0 408.550 3.940 20 30 HHEDRO CCCc1c(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439678357 983497658 /nfs/dbraw/zinc/49/76/58/983497658.db2.gz OALQWHPPJLMGIM-MSOLQXFVSA-N 1 0 408.550 3.938 20 30 HHEDRO CCCc1c(NC(=O)NCCC2CC[NH+](CC)CC2)cnn1-c1cccc(C#N)c1 ZINC000439680973 983498678 /nfs/dbraw/zinc/49/86/78/983498678.db2.gz NDGVMVVKWYEVFD-UHFFFAOYSA-N 1 0 408.550 3.940 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000439725268 983516193 /nfs/dbraw/zinc/51/61/93/983516193.db2.gz CBVGRCJXSYXOBW-JOCHJYFZSA-N 1 0 418.541 3.820 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000439866943 983561453 /nfs/dbraw/zinc/56/14/53/983561453.db2.gz OYWOONZKNVNQAI-UHFFFAOYSA-N 1 0 418.541 3.904 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000440064782 983630190 /nfs/dbraw/zinc/63/01/90/983630190.db2.gz SXGPEAOPLOQCKG-VQIMIIECSA-N 1 0 424.932 3.662 20 30 HHEDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCCC1 ZINC000440398926 983744424 /nfs/dbraw/zinc/74/44/24/983744424.db2.gz MVWIKEUGEZTDDA-KRWDZBQOSA-N 1 0 416.591 3.838 20 30 HHEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)CCCCC1 ZINC000440480308 983772028 /nfs/dbraw/zinc/77/20/28/983772028.db2.gz JULMVDNBYQKLLL-UHFFFAOYSA-N 1 0 412.578 3.711 20 30 HHEDRO N#Cc1c(NC(=O)C[NH2+][C@]2(CO)CCCc3ccccc32)sc2c1CCCCC2 ZINC000440483744 983773146 /nfs/dbraw/zinc/77/31/46/983773146.db2.gz GUAQPYGNFCKSMA-QHCPKHFHSA-N 1 0 409.555 3.641 20 30 HHEDRO CCC[C@H]1CN(CCOc2cccc(C#N)c2)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000440571047 983799412 /nfs/dbraw/zinc/79/94/12/983799412.db2.gz KXVMAPAMKMNIGG-QHCPKHFHSA-N 1 0 418.541 3.674 20 30 HHEDRO COc1cc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)ccc1C#N ZINC000440806732 983914858 /nfs/dbraw/zinc/91/48/58/983914858.db2.gz MAYPWXGRDILMMI-INIZCTEOSA-N 1 0 400.320 3.945 20 30 HHEDRO COc1cc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)ccc1C#N ZINC000440831725 983928105 /nfs/dbraw/zinc/92/81/05/983928105.db2.gz NMRMEMZMJGONBD-MGPUTAFESA-N 1 0 417.912 3.911 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000440963990 984000652 /nfs/dbraw/zinc/00/06/52/984000652.db2.gz XBNQCOZVNSTGSS-MJGOQNOKSA-N 1 0 420.513 3.539 20 30 HHEDRO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000441069244 984054257 /nfs/dbraw/zinc/05/42/57/984054257.db2.gz NVEWJTWYOKBJQG-NLFFAJNJSA-N 1 0 400.526 3.721 20 30 HHEDRO COC(=O)c1ccc(OCC[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000441173217 984100794 /nfs/dbraw/zinc/10/07/94/984100794.db2.gz IFOIPQKPLHLTTC-UHFFFAOYSA-N 1 0 413.905 3.589 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441193231 984108497 /nfs/dbraw/zinc/10/84/97/984108497.db2.gz HJXSLTQIVZJQBI-PMACEKPBSA-N 1 0 406.530 3.653 20 30 HHEDRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000441242001 984133764 /nfs/dbraw/zinc/13/37/64/984133764.db2.gz ZMJPORGYSOECBZ-CYFREDJKSA-N 1 0 419.573 3.823 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441283697 984158136 /nfs/dbraw/zinc/15/81/36/984158136.db2.gz WMTODOGKTBQNRG-OALUTQOASA-N 1 0 424.520 3.792 20 30 HHEDRO COc1cccc(C(C)(C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000441617547 984358191 /nfs/dbraw/zinc/35/81/91/984358191.db2.gz DIQOFLRKPGECMV-UHFFFAOYSA-N 1 0 420.557 3.762 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000441695276 984400795 /nfs/dbraw/zinc/40/07/95/984400795.db2.gz XKPUJTCTMPBAMH-LZJOCLMNSA-N 1 0 424.570 3.684 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442070419 984621569 /nfs/dbraw/zinc/62/15/69/984621569.db2.gz BHDKAJSWOKZMPY-UHFFFAOYSA-N 1 0 422.407 3.719 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000442182057 984704041 /nfs/dbraw/zinc/70/40/41/984704041.db2.gz OHNZOXDRXHPZKR-UHFFFAOYSA-N 1 0 422.407 3.719 20 30 HHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)CC1 ZINC000461811699 984797289 /nfs/dbraw/zinc/79/72/89/984797289.db2.gz LVTRLRFBGBMBAQ-QFIPXVFZSA-N 1 0 422.577 3.696 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C[C@@H]1C ZINC000461850001 984863105 /nfs/dbraw/zinc/86/31/05/984863105.db2.gz KCQMAXZHCYPWJJ-NYVOZVTQSA-N 1 0 422.577 3.695 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924052 984934003 /nfs/dbraw/zinc/93/40/03/984934003.db2.gz ZLGRVDLDOKEWCU-IAGOWNOFSA-N 1 0 409.452 3.776 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2)CC1 ZINC000462014714 984992731 /nfs/dbraw/zinc/99/27/31/984992731.db2.gz MAVRJCRCUJPXSZ-IBGZPJMESA-N 1 0 417.340 3.735 20 30 HHEDRO Cc1ccccc1-c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n(C)n1 ZINC000462088402 985059416 /nfs/dbraw/zinc/05/94/16/985059416.db2.gz CZCKXPFXMNEJLI-UHFFFAOYSA-N 1 0 416.529 3.863 20 30 HHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000442674445 985147102 /nfs/dbraw/zinc/14/71/02/985147102.db2.gz CGQKLYVQGNTNMT-JKSUJKDBSA-N 1 0 403.482 3.934 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000462185985 985168130 /nfs/dbraw/zinc/16/81/30/985168130.db2.gz IXAVBWWFQUSGOJ-PGRDOPGGSA-N 1 0 415.493 3.981 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000462191447 985173463 /nfs/dbraw/zinc/17/34/63/985173463.db2.gz SOCRBQDFMOXCRE-BTYIYWSLSA-N 1 0 408.571 3.607 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252688 985236351 /nfs/dbraw/zinc/23/63/51/985236351.db2.gz CJBRSTZKMOXECI-KSSFIOAISA-N 1 0 400.429 3.802 20 30 HHEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000442867368 985251928 /nfs/dbraw/zinc/25/19/28/985251928.db2.gz LCIUJZJYYMUERS-AOCRQIFASA-N 1 0 401.532 3.739 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443120898 985388957 /nfs/dbraw/zinc/38/89/57/985388957.db2.gz BCJBJARHQMBXTL-OAHLLOKOSA-N 1 0 403.935 3.716 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1C ZINC000443374813 985535418 /nfs/dbraw/zinc/53/54/18/985535418.db2.gz QJKCYTHGUXMKBP-PXNSSMCTSA-N 1 0 420.513 3.620 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1C ZINC000443384906 985543070 /nfs/dbraw/zinc/54/30/70/985543070.db2.gz KZHFCHUSQPNBKJ-PXNSSMCTSA-N 1 0 420.513 3.620 20 30 HHEDRO CC(C)[NH+]1CCC(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000467977263 985622581 /nfs/dbraw/zinc/62/25/81/985622581.db2.gz KURGCDXWESMBGS-UHFFFAOYSA-N 1 0 401.561 3.761 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000463017158 985974117 /nfs/dbraw/zinc/97/41/17/985974117.db2.gz XGLUZIJLMOCAPJ-BJKOFHAPSA-N 1 0 418.541 3.696 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017915 985974639 /nfs/dbraw/zinc/97/46/39/985974639.db2.gz YFUDWWKDUDBJPG-DVECYGJZSA-N 1 0 418.541 3.632 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C(C)C)[C@@H]2CCOC2)c1C#N ZINC000463224330 986194352 /nfs/dbraw/zinc/19/43/52/986194352.db2.gz WQRHDHPLKRKAHG-HXUWFJFHSA-N 1 0 412.509 3.602 20 30 HHEDRO CCN1CCO[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000463254261 986223291 /nfs/dbraw/zinc/22/32/91/986223291.db2.gz INSKBMYDLNWGJL-UIOOFZCWSA-N 1 0 418.585 3.574 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463275210 986242194 /nfs/dbraw/zinc/24/21/94/986242194.db2.gz URPXEEWVFSIVIF-XMSQKQJNSA-N 1 0 408.502 3.813 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000468644567 986358365 /nfs/dbraw/zinc/35/83/65/986358365.db2.gz CRMPNTUGQYFSCE-UHFFFAOYSA-N 1 0 404.558 3.604 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444783 986424565 /nfs/dbraw/zinc/42/45/65/986424565.db2.gz SMZPQPGCCGOIPG-NLFFAJNJSA-N 1 0 423.532 3.778 20 30 HHEDRO Cc1cc(Br)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000463505768 986481705 /nfs/dbraw/zinc/48/17/05/986481705.db2.gz GBZLODGGYNKRIQ-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000468812799 986521472 /nfs/dbraw/zinc/52/14/72/986521472.db2.gz DJYQZTCGFHEWSW-FQEVSTJZSA-N 1 0 416.447 3.842 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000463566436 986543085 /nfs/dbraw/zinc/54/30/85/986543085.db2.gz BYZICOIQUYKHRL-KDURUIRLSA-N 1 0 416.562 3.612 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000463566437 986543395 /nfs/dbraw/zinc/54/33/95/986543395.db2.gz BYZICOIQUYKHRL-OALUTQOASA-N 1 0 416.562 3.612 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000444388498 986563331 /nfs/dbraw/zinc/56/33/31/986563331.db2.gz KIYPXIXROXNSHJ-UHFFFAOYSA-N 1 0 405.546 3.949 20 30 HHEDRO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000444401998 986583014 /nfs/dbraw/zinc/58/30/14/986583014.db2.gz ZAHXZOSDGAAICL-RTBURBONSA-N 1 0 413.566 3.504 20 30 HHEDRO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000468908413 986614369 /nfs/dbraw/zinc/61/43/69/986614369.db2.gz IQVIKFWFDUCSTL-UHFFFAOYSA-N 1 0 416.481 3.964 20 30 HHEDRO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000468946393 986649956 /nfs/dbraw/zinc/64/99/56/986649956.db2.gz LLHRAUDBMAKDGN-NRFANRHFSA-N 1 0 400.482 3.950 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000463691391 986674294 /nfs/dbraw/zinc/67/42/94/986674294.db2.gz RBDRVVRQPNWYQO-UPVQGACJSA-N 1 0 422.525 3.976 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469008473 986714652 /nfs/dbraw/zinc/71/46/52/986714652.db2.gz PFPKJAKZXUHJMJ-OYRHEFFESA-N 1 0 421.589 3.576 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C2)c(F)c1 ZINC000469023406 986733095 /nfs/dbraw/zinc/73/30/95/986733095.db2.gz RIAMSPWFYOJPHY-NRFANRHFSA-N 1 0 415.472 3.657 20 30 HHEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000469079934 986792284 /nfs/dbraw/zinc/79/22/84/986792284.db2.gz UADWWUIIWCLUFZ-OAQYLSRUSA-N 1 0 415.559 3.515 20 30 HHEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000469079913 986792728 /nfs/dbraw/zinc/79/27/28/986792728.db2.gz UADWWUIIWCLUFZ-NRFANRHFSA-N 1 0 415.559 3.515 20 30 HHEDRO COc1ccc(C[C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000469152238 986876460 /nfs/dbraw/zinc/87/64/60/986876460.db2.gz WBDVLILIFKSPEK-VGSWGCGISA-N 1 0 407.514 3.528 20 30 HHEDRO Cc1c(Br)ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1F ZINC000469160496 986885004 /nfs/dbraw/zinc/88/50/04/986885004.db2.gz YPAHBYWBBTWBCG-UHFFFAOYSA-N 1 0 418.310 3.972 20 30 HHEDRO C[C@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCC[N@@H+]1Cc1ccccc1 ZINC000469180690 986905613 /nfs/dbraw/zinc/90/56/13/986905613.db2.gz QJWOBJNQHMMJOR-XMMPIXPASA-N 1 0 400.482 3.998 20 30 HHEDRO COC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000469216260 986938971 /nfs/dbraw/zinc/93/89/71/986938971.db2.gz HFFVQIIXKNKUPS-NLFFAJNJSA-N 1 0 421.541 3.659 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC3CC[NH+](Cc4cccnc4)CC3)ccc21 ZINC000469218812 986941047 /nfs/dbraw/zinc/94/10/47/986941047.db2.gz JYTXWOPTVOGDAQ-UHFFFAOYSA-N 1 0 403.530 3.741 20 30 HHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469221005 986942726 /nfs/dbraw/zinc/94/27/26/986942726.db2.gz ZBFGHVQBKPYAQN-UHFFFAOYSA-N 1 0 408.424 3.950 20 30 HHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCCC1(C)C ZINC000444794114 986949310 /nfs/dbraw/zinc/94/93/10/986949310.db2.gz UPWREGVHFIDGNF-FQEVSTJZSA-N 1 0 415.603 3.881 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806736 986962611 /nfs/dbraw/zinc/96/26/11/986962611.db2.gz WZOUWWAEXWRFGO-IAGOWNOFSA-N 1 0 409.452 3.776 20 30 HHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000469351765 987054128 /nfs/dbraw/zinc/05/41/28/987054128.db2.gz VMLUPPUNTBGBFI-KBPBESRZSA-N 1 0 408.340 3.839 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469494557 987174214 /nfs/dbraw/zinc/17/42/14/987174214.db2.gz VDCWWKOZMSLCHW-IFXJQAMLSA-N 1 0 405.420 3.763 20 30 HHEDRO N#CCCCn1cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c2ccccc21 ZINC000469554075 987224680 /nfs/dbraw/zinc/22/46/80/987224680.db2.gz KTUHPXMMCANRCB-UHFFFAOYSA-N 1 0 422.573 3.958 20 30 HHEDRO N#CCCCn1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000469781025 987427909 /nfs/dbraw/zinc/42/79/09/987427909.db2.gz RPFLMHGYBGLEBH-UHFFFAOYSA-N 1 0 422.573 3.910 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000445782544 987844622 /nfs/dbraw/zinc/84/46/22/987844622.db2.gz NILNHCYLWUPANG-UHFFFAOYSA-N 1 0 418.950 3.559 20 30 HHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000470214608 988139862 /nfs/dbraw/zinc/13/98/62/988139862.db2.gz FUPRNEYYQXPVSZ-HXUWFJFHSA-N 1 0 403.526 3.941 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470217416 988144435 /nfs/dbraw/zinc/14/44/35/988144435.db2.gz ZIBLBNZOPVSXTD-OPYAIIAOSA-N 1 0 402.970 3.924 20 30 HHEDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C#N)cs3)C2=O)ccc1Br ZINC000464086296 988207105 /nfs/dbraw/zinc/20/71/05/988207105.db2.gz HGCHNPKEYDCZQU-KRWDZBQOSA-N 1 0 404.333 3.976 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000470361992 988326686 /nfs/dbraw/zinc/32/66/86/988326686.db2.gz GXAFTAHVOINYRF-LJQANCHMSA-N 1 0 402.970 3.703 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)ccc21 ZINC000470548863 988559373 /nfs/dbraw/zinc/55/93/73/988559373.db2.gz KZVDQUWBCDQWFO-OAQYLSRUSA-N 1 0 423.561 3.656 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000470758398 988800158 /nfs/dbraw/zinc/80/01/58/988800158.db2.gz YYDVTLCVOTVCRB-LEWJYISDSA-N 1 0 406.555 3.891 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000470758400 988800181 /nfs/dbraw/zinc/80/01/81/988800181.db2.gz YYDVTLCVOTVCRB-RTWAWAEBSA-N 1 0 406.555 3.891 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000464643407 988823199 /nfs/dbraw/zinc/82/31/99/988823199.db2.gz NAUAXOQZYNRTMR-HXUWFJFHSA-N 1 0 407.562 3.885 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C#N ZINC000470955151 989020278 /nfs/dbraw/zinc/02/02/78/989020278.db2.gz HQFDOCNACPBJEH-HXUWFJFHSA-N 1 0 411.594 3.694 20 30 HHEDRO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000464813621 989048952 /nfs/dbraw/zinc/04/89/52/989048952.db2.gz YMHPTWUZUHNFRG-UHFFFAOYSA-N 1 0 405.546 3.567 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464842572 989089602 /nfs/dbraw/zinc/08/96/02/989089602.db2.gz JBZJCJCOZCANLZ-XUZZJYLKSA-N 1 0 424.585 3.760 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030850 989102611 /nfs/dbraw/zinc/10/26/11/989102611.db2.gz VUAWJSGHAGILBU-KRWDZBQOSA-N 1 0 402.608 3.881 20 30 HHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000464853431 989106929 /nfs/dbraw/zinc/10/69/29/989106929.db2.gz DRQIFMFBHVVYNU-ICTCPBKTSA-N 1 0 412.335 3.725 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1C#N ZINC000464858505 989112838 /nfs/dbraw/zinc/11/28/38/989112838.db2.gz WXUJETLJPNNOQU-UWJYYQICSA-N 1 0 410.493 3.544 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464892629 989161690 /nfs/dbraw/zinc/16/16/90/989161690.db2.gz HZXNWNDKCOQPMN-HXUWFJFHSA-N 1 0 408.542 3.926 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464980011 989282371 /nfs/dbraw/zinc/28/23/71/989282371.db2.gz JFMYGAPWRIQMPU-URXFXBBRSA-N 1 0 405.542 3.942 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000471164973 989287550 /nfs/dbraw/zinc/28/75/50/989287550.db2.gz KVRHSZAAUDMPFQ-QHCPKHFHSA-N 1 0 420.557 3.933 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)[C@H](C)C1 ZINC000471225740 989369274 /nfs/dbraw/zinc/36/92/74/989369274.db2.gz DXQZOTXSWQHOMR-VGOFRKELSA-N 1 0 407.562 3.566 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@](C)(CO)C2CCCCC2)c1C#N ZINC000471244330 989391061 /nfs/dbraw/zinc/39/10/61/989391061.db2.gz PRZRZHFKIJFLCX-RUZDIDTESA-N 1 0 422.573 3.884 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)C2)n1 ZINC000471257765 989405424 /nfs/dbraw/zinc/40/54/24/989405424.db2.gz IXLOYFXXZLOEMS-JOCHJYFZSA-N 1 0 417.557 3.755 20 30 HHEDRO Cc1nc(SCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)c(C)c1C ZINC000471383804 989563099 /nfs/dbraw/zinc/56/30/99/989563099.db2.gz FGTYBVGOMNODFA-OYRHEFFESA-N 1 0 420.582 3.561 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000471711088 989909267 /nfs/dbraw/zinc/90/92/67/989909267.db2.gz GCBIGQSZCUWHHN-DEOSSOPVSA-N 1 0 400.526 3.789 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000465664587 990050478 /nfs/dbraw/zinc/05/04/78/990050478.db2.gz OSPHYXMZVZZQCU-LEWJYISDSA-N 1 0 412.603 3.829 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)n1 ZINC000471878908 990051282 /nfs/dbraw/zinc/05/12/82/990051282.db2.gz WRUBYVBDFWIGGY-GGAORHGYSA-N 1 0 423.605 3.593 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1ccccc1 ZINC000471957433 990122260 /nfs/dbraw/zinc/12/22/60/990122260.db2.gz VFLMFPKFEZXESX-WIYYLYMNSA-N 1 0 420.904 3.964 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000465878256 990995202 /nfs/dbraw/zinc/99/52/02/990995202.db2.gz PNLYLEGEXJDTHF-ATKRNPRHSA-N 1 0 410.562 3.812 20 30 HHEDRO CO[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000466088490 991266956 /nfs/dbraw/zinc/26/69/56/991266956.db2.gz GJGVNFZZRLRMGW-OAQYLSRUSA-N 1 0 414.937 3.673 20 30 HHEDRO N#Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1OCC(F)(F)F ZINC000466292235 991541545 /nfs/dbraw/zinc/54/15/45/991541545.db2.gz YJELRXVDFZZXHR-KRWDZBQOSA-N 1 0 410.440 3.885 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000466299196 991550660 /nfs/dbraw/zinc/55/06/60/991550660.db2.gz SXUWUAKFIBIEKK-JOCHJYFZSA-N 1 0 410.562 3.887 20 30 HHEDRO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000466468269 991759048 /nfs/dbraw/zinc/75/90/48/991759048.db2.gz CYMBCFQRTGDOBM-MOPGFXCFSA-N 1 0 412.578 3.868 20 30 HHEDRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000466487936 991777992 /nfs/dbraw/zinc/77/79/92/991777992.db2.gz FUAMCKIGDDPVGA-UHFFFAOYSA-N 1 0 420.557 3.915 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466531316 991830605 /nfs/dbraw/zinc/83/06/05/991830605.db2.gz TVINHQIFKSZBEZ-NQIIRXRSSA-N 1 0 408.502 3.955 20 30 HHEDRO N#Cc1cccc(CCNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000466608045 991925005 /nfs/dbraw/zinc/92/50/05/991925005.db2.gz HAMVEGUUUFOGEY-NRFANRHFSA-N 1 0 401.432 3.672 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466611529 991928103 /nfs/dbraw/zinc/92/81/03/991928103.db2.gz VAHUNUGZBRQACW-ICSRJNTNSA-N 1 0 407.518 3.939 20 30 HHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466624001 991939977 /nfs/dbraw/zinc/93/99/77/991939977.db2.gz ZMPXLTPXEBXEFI-UHFFFAOYSA-N 1 0 407.518 3.859 20 30 HHEDRO Cc1ccc(-n2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cn2)c(C)c1 ZINC000466950736 992260684 /nfs/dbraw/zinc/26/06/84/992260684.db2.gz KFHUWFAFXFMWMH-UHFFFAOYSA-N 1 0 416.529 3.957 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000467135852 992452342 /nfs/dbraw/zinc/45/23/42/992452342.db2.gz KWEKVSOPPAPTCJ-MAUKXSAKSA-N 1 0 419.497 3.510 20 30 HHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000467271283 992592903 /nfs/dbraw/zinc/59/29/03/992592903.db2.gz LOKRMBDKVVZTJW-LJQANCHMSA-N 1 0 420.557 3.915 20 30 HHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000467299031 992625089 /nfs/dbraw/zinc/62/50/89/992625089.db2.gz RAZYZVARHJRMDA-GOSISDBHSA-N 1 0 412.509 3.792 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CC1 ZINC000467542370 992821722 /nfs/dbraw/zinc/82/17/22/992821722.db2.gz YGNAXWQCTSHQPS-UHFFFAOYSA-N 1 0 410.301 3.941 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCc3ccc(O)cc3C2)c1C#N ZINC000472232515 993261629 /nfs/dbraw/zinc/26/16/29/993261629.db2.gz UPJUXHSAQITHJY-UHFFFAOYSA-N 1 0 418.497 3.710 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+]C(C)(C)c2nccs2)c1C#N ZINC000472235443 993263940 /nfs/dbraw/zinc/26/39/40/993263940.db2.gz ABIIQOMDHSSZJL-UHFFFAOYSA-N 1 0 411.531 3.928 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000472253196 993279390 /nfs/dbraw/zinc/27/93/90/993279390.db2.gz AYFAAFIPJZLJJI-SJORKVTESA-N 1 0 400.548 3.772 20 30 HHEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472254758 993280726 /nfs/dbraw/zinc/28/07/26/993280726.db2.gz GHHGIOPHRJQKQI-LEWJYISDSA-N 1 0 412.534 3.572 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2ccc(C#N)cc2)c1C#N ZINC000472444933 993447797 /nfs/dbraw/zinc/44/77/97/993447797.db2.gz UCUISPKOQGWYDZ-UHFFFAOYSA-N 1 0 415.497 3.950 20 30 HHEDRO Cc1nc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc2n1Cc1ccsc1 ZINC000472452615 993455561 /nfs/dbraw/zinc/45/55/61/993455561.db2.gz YOKFZWDDJCUKNL-UHFFFAOYSA-N 1 0 409.559 3.762 20 30 HHEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000480775340 993641014 /nfs/dbraw/zinc/64/10/14/993641014.db2.gz BTLWVUJRXYSFEN-LJQANCHMSA-N 1 0 409.965 3.641 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2-n2cccn2)CC1 ZINC000472735407 993664051 /nfs/dbraw/zinc/66/40/51/993664051.db2.gz YXTLNKZXGQUZFS-UHFFFAOYSA-N 1 0 418.339 3.797 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C4CC4)nc(SC)c3C#N)c2)CC1 ZINC000472758376 993697193 /nfs/dbraw/zinc/69/71/93/993697193.db2.gz XTIWBGQXALJNNT-UHFFFAOYSA-N 1 0 421.570 3.947 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000472820632 993756303 /nfs/dbraw/zinc/75/63/03/993756303.db2.gz BNSDILYGYKYXKJ-UHFFFAOYSA-N 1 0 405.542 3.868 20 30 HHEDRO CC1(C)CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000481177495 994008030 /nfs/dbraw/zinc/00/80/30/994008030.db2.gz QLCKIHAHYUGWTQ-DYESRHJHSA-N 1 0 412.578 3.914 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182125 994012161 /nfs/dbraw/zinc/01/21/61/994012161.db2.gz OXIPMWNHVFFACA-PWLNBWHGSA-N 1 0 410.606 3.806 20 30 HHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000481263924 994083327 /nfs/dbraw/zinc/08/33/27/994083327.db2.gz YPQXMXTXAWPZEI-OAHLLOKOSA-N 1 0 400.914 3.783 20 30 HHEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000481546979 994378943 /nfs/dbraw/zinc/37/89/43/994378943.db2.gz UWCCSRUQJUMOCQ-VFNWGFHPSA-N 1 0 423.904 3.702 20 30 HHEDRO COc1cc(C[NH+]2CCC([C@H](C)NC(C)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000481579205 994418571 /nfs/dbraw/zinc/41/85/71/994418571.db2.gz OVIZRNNCTAQTPO-SFHVURJKSA-N 1 0 421.541 3.882 20 30 HHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000473567537 994435783 /nfs/dbraw/zinc/43/57/83/994435783.db2.gz HICURJUNVSFSSS-UGKGYDQZSA-N 1 0 414.981 3.703 20 30 HHEDRO COc1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)ccc1OCC(=O)N(C)C ZINC000481668782 994529744 /nfs/dbraw/zinc/52/97/44/994529744.db2.gz USONNVWMPJAIOJ-OAQYLSRUSA-N 1 0 407.514 3.591 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)CC1 ZINC000481679454 994539725 /nfs/dbraw/zinc/53/97/25/994539725.db2.gz ZRWUIWHDCWDGDX-UHFFFAOYSA-N 1 0 409.530 3.743 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000473654840 994541336 /nfs/dbraw/zinc/54/13/36/994541336.db2.gz URBVXUIHDIZGSM-LJQANCHMSA-N 1 0 421.545 3.807 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@H](C)[NH+](C)C ZINC000481739523 994594822 /nfs/dbraw/zinc/59/48/22/994594822.db2.gz LZJBXENYUSTQLA-AWEZNQCLSA-N 1 0 400.548 3.705 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000481771436 994621997 /nfs/dbraw/zinc/62/19/97/994621997.db2.gz VVSTUNHUFWLRFJ-UYAOXDASSA-N 1 0 419.294 3.940 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000473796313 994721204 /nfs/dbraw/zinc/72/12/04/994721204.db2.gz XTKNJUYKRFNXKE-BULFRSBZSA-N 1 0 419.525 3.893 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)C(C)C ZINC000473887565 994837081 /nfs/dbraw/zinc/83/70/81/994837081.db2.gz WNOACOSAGFNOEF-QFIPXVFZSA-N 1 0 417.569 3.603 20 30 HHEDRO C[N@H+](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Cc1ccc(F)cc1 ZINC000482001592 994903092 /nfs/dbraw/zinc/90/30/92/994903092.db2.gz URMMEYNMYOZZMT-UHFFFAOYSA-N 1 0 407.445 3.731 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000482007665 994912284 /nfs/dbraw/zinc/91/22/84/994912284.db2.gz HYMVSRSDRNEHTN-IIZYZSMLSA-N 1 0 423.601 3.522 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482013312 994920906 /nfs/dbraw/zinc/92/09/06/994920906.db2.gz CKIDKGCVFNPORD-PKTZIBPZSA-N 1 0 401.510 3.958 20 30 HHEDRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482185553 995156360 /nfs/dbraw/zinc/15/63/60/995156360.db2.gz LCCFKXHMKZPGSG-MRXNPFEDSA-N 1 0 421.010 3.880 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC[N@H+]2CCCC[C@@H]2CC)nnc1-c1ccco1 ZINC000482197605 995175451 /nfs/dbraw/zinc/17/54/51/995175451.db2.gz ITCSKVLETIVBNA-KRWDZBQOSA-N 1 0 417.579 3.587 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000474335432 995315599 /nfs/dbraw/zinc/31/55/99/995315599.db2.gz ZCXGOVQMDUPQAB-QGZVFWFLSA-N 1 0 419.875 3.732 20 30 HHEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000474868288 995764153 /nfs/dbraw/zinc/76/41/53/995764153.db2.gz KBDDLTWBPKFFEW-JOCHJYFZSA-N 1 0 404.558 3.528 20 30 HHEDRO CC(C)(C#N)c1ccc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000474962121 995829504 /nfs/dbraw/zinc/82/95/04/995829504.db2.gz BGLBIJXJPWOGRJ-UHFFFAOYSA-N 1 0 418.585 3.816 20 30 HHEDRO Cc1cccc(CC2(O)CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000482934249 995863426 /nfs/dbraw/zinc/86/34/26/995863426.db2.gz YXLTVAZSUHBTTF-UHFFFAOYSA-N 1 0 411.933 3.918 20 30 HHEDRO C[C@@H](CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)OCc1ccccc1 ZINC000475046596 995889752 /nfs/dbraw/zinc/88/97/52/995889752.db2.gz FLTTUSFYVLFSKM-SFHVURJKSA-N 1 0 406.486 3.924 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@](C)(OC)CC2)cc1 ZINC000483035334 995933246 /nfs/dbraw/zinc/93/32/46/995933246.db2.gz JGLIVOXGOOMHFN-DEOSSOPVSA-N 1 0 424.545 3.804 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483275446 996075451 /nfs/dbraw/zinc/07/54/51/996075451.db2.gz ZDUSQGXPSHMOMY-MRXNPFEDSA-N 1 0 414.811 3.941 20 30 HHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OCC(C)C)c1 ZINC000475343165 996079748 /nfs/dbraw/zinc/07/97/48/996079748.db2.gz QDOHNDVGRIDJTF-UHFFFAOYSA-N 1 0 409.530 3.806 20 30 HHEDRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnn(C)c1C#N)[NH+](C)C ZINC000475374711 996098777 /nfs/dbraw/zinc/09/87/77/996098777.db2.gz ZIISEVWYYQGGDI-IBGZPJMESA-N 1 0 422.360 3.827 20 30 HHEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)C1 ZINC000475425206 996129734 /nfs/dbraw/zinc/12/97/34/996129734.db2.gz WVFHZSAHNSNSCJ-SXLOBPIMSA-N 1 0 405.473 3.705 20 30 HHEDRO CN(C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000483477488 996205673 /nfs/dbraw/zinc/20/56/73/996205673.db2.gz REDJIPHRVMCNOF-PKTZIBPZSA-N 1 0 408.590 3.658 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483478368 996206520 /nfs/dbraw/zinc/20/65/20/996206520.db2.gz SZHDQIWDVPYAKW-ZFJSRUIDSA-N 1 0 402.542 3.872 20 30 HHEDRO C[N@@H+]1CCC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488293 996213137 /nfs/dbraw/zinc/21/31/37/996213137.db2.gz JBFCBNINKDDCFX-LPHOPBHVSA-N 1 0 400.592 3.633 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483494252 996216586 /nfs/dbraw/zinc/21/65/86/996216586.db2.gz WCMZBLNNZFKCLO-NOZRDPDXSA-N 1 0 416.569 3.920 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCc3ccccc3C)c2)CC1 ZINC000483530419 996235185 /nfs/dbraw/zinc/23/51/85/996235185.db2.gz KFRKUQKKZXMMIT-UHFFFAOYSA-N 1 0 421.541 3.669 20 30 HHEDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000475696393 996307133 /nfs/dbraw/zinc/30/71/33/996307133.db2.gz URBRWLAYCCOSMK-UHFFFAOYSA-N 1 0 412.433 3.755 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475743204 996342430 /nfs/dbraw/zinc/34/24/30/996342430.db2.gz XIRDZFFRMFPUSH-AREMUKBSSA-N 1 0 416.569 3.921 20 30 HHEDRO N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475743151 996342470 /nfs/dbraw/zinc/34/24/70/996342470.db2.gz DXFZBVDTTBTDGO-HSZRJFAPSA-N 1 0 408.571 3.936 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000483797616 996394744 /nfs/dbraw/zinc/39/47/44/996394744.db2.gz HTJCDSBBDPRNES-OAQYLSRUSA-N 1 0 414.513 3.520 20 30 HHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000475925718 996475728 /nfs/dbraw/zinc/47/57/28/996475728.db2.gz KYDVTQQYXCTGCS-QHCPKHFHSA-N 1 0 416.525 3.592 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCC[N@H+](C)C1CC1 ZINC000484146967 996598767 /nfs/dbraw/zinc/59/87/67/996598767.db2.gz ZTWPNMIIBANCIV-UHFFFAOYSA-N 1 0 412.559 3.849 20 30 HHEDRO C=CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)CC1CCCCC1 ZINC000484665673 997003818 /nfs/dbraw/zinc/00/38/18/997003818.db2.gz VVVKXYRDABFQBP-HXUWFJFHSA-N 1 0 403.611 3.552 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485314058 997723575 /nfs/dbraw/zinc/72/35/75/997723575.db2.gz CMKFRUQMFCDUSY-GJYPPUQNSA-N 1 0 400.592 3.632 20 30 HHEDRO Cc1oc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485330549 997744871 /nfs/dbraw/zinc/74/48/71/997744871.db2.gz LYFSHYHRGKSAKF-IFMALSPDSA-N 1 0 406.530 3.693 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C#N ZINC000485343436 997762912 /nfs/dbraw/zinc/76/29/12/997762912.db2.gz FQGDTLKNSBYKNU-DENIHFKCSA-N 1 0 411.594 3.836 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C#N ZINC000485343443 997763000 /nfs/dbraw/zinc/76/30/00/997763000.db2.gz FQGDTLKNSBYKNU-UGKGYDQZSA-N 1 0 411.594 3.836 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)C2=O)cc1 ZINC000485344274 997764918 /nfs/dbraw/zinc/76/49/18/997764918.db2.gz ASKPJAGCBORXII-VJTSUQJLSA-N 1 0 414.553 3.650 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(F)c1)C(C)C ZINC000485443110 997884396 /nfs/dbraw/zinc/88/43/96/997884396.db2.gz ZJKNFPHUPBGMFX-FQEVSTJZSA-N 1 0 402.514 3.773 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000485944550 998388083 /nfs/dbraw/zinc/38/80/83/998388083.db2.gz MFJCFBKBQPLZGI-GOSISDBHSA-N 1 0 424.570 3.992 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000477728812 998459700 /nfs/dbraw/zinc/45/97/00/998459700.db2.gz WWYDYWJMFXJGML-NRFANRHFSA-N 1 0 407.505 3.868 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)c3cnn(-c4ccncc4)c3C(F)F)n2)c(F)c1 ZINC000486127207 998575186 /nfs/dbraw/zinc/57/51/86/998575186.db2.gz KMAWPWNNDHBJFR-UHFFFAOYSA-N 1 0 423.358 3.654 20 30 HHEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478191871 998814212 /nfs/dbraw/zinc/81/42/12/998814212.db2.gz AYMSLQPYXMXSGH-LJQANCHMSA-N 1 0 423.467 3.929 20 30 HHEDRO Cn1cc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478272382 998856478 /nfs/dbraw/zinc/85/64/78/998856478.db2.gz HIZREWTXJYGRMK-KRWDZBQOSA-N 1 0 423.879 3.646 20 30 HHEDRO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)s1 ZINC000486657446 998879933 /nfs/dbraw/zinc/87/99/33/998879933.db2.gz MWCOWWIRHCCRTI-UHFFFAOYSA-N 1 0 403.511 3.589 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000478369220 998921088 /nfs/dbraw/zinc/92/10/88/998921088.db2.gz JEYNXKPKDAUWOB-DQEYMECFSA-N 1 0 411.505 3.965 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000478563609 999026557 /nfs/dbraw/zinc/02/65/57/999026557.db2.gz QZXMOBXGMUCWBH-URXFXBBRSA-N 1 0 402.542 3.751 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1C#N ZINC000487035573 999043789 /nfs/dbraw/zinc/04/37/89/999043789.db2.gz BQKUCUWEXHHGRB-GOSISDBHSA-N 1 0 420.582 3.847 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000478625419 999052037 /nfs/dbraw/zinc/05/20/37/999052037.db2.gz KIKWHCZCNMRLKG-MRXNPFEDSA-N 1 0 401.561 3.905 20 30 HHEDRO CC(C)([C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000487078627 999056550 /nfs/dbraw/zinc/05/65/50/999056550.db2.gz ZIFYTJRDLDROII-QFIPXVFZSA-N 1 0 412.484 3.980 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000478779090 999136568 /nfs/dbraw/zinc/13/65/68/999136568.db2.gz PDXIYEQXMOXXRX-IBGZPJMESA-N 1 0 421.541 3.738 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487353851 999144408 /nfs/dbraw/zinc/14/44/08/999144408.db2.gz KRQSXDGZVIZGRS-UGKGYDQZSA-N 1 0 421.541 3.753 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000478865374 999183083 /nfs/dbraw/zinc/18/30/83/999183083.db2.gz BVCSHDXFJWXONF-KDURUIRLSA-N 1 0 407.514 3.970 20 30 HHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487896249 999308143 /nfs/dbraw/zinc/30/81/43/999308143.db2.gz LFOWSTQTQLIVCE-KRWDZBQOSA-N 1 0 401.308 3.615 20 30 HHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)o1 ZINC000479172169 999308833 /nfs/dbraw/zinc/30/88/33/999308833.db2.gz YQZYMTMDLUMQOK-UHFFFAOYSA-N 1 0 424.545 3.923 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1Oc1ccccc1C#N ZINC000479180536 999313084 /nfs/dbraw/zinc/31/30/84/999313084.db2.gz AHTGGLUNPZHMLZ-KKLQWCBXSA-N 1 0 405.498 3.674 20 30 HHEDRO N#Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000487932019 999320138 /nfs/dbraw/zinc/32/01/38/999320138.db2.gz GFOGDKXYBYTNAF-KSSFIOAISA-N 1 0 403.324 3.801 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000479196495 999321487 /nfs/dbraw/zinc/32/14/87/999321487.db2.gz XSBIGGMOFVWGDS-ATKRNPRHSA-N 1 0 410.562 3.908 20 30 HHEDRO N#CC1(NC(=O)c2ccc(N3CCCCCC3)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479211760 999327735 /nfs/dbraw/zinc/32/77/35/999327735.db2.gz GBRTXWAVBFNAIJ-UHFFFAOYSA-N 1 0 417.557 3.750 20 30 HHEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1-c1cccc(C)c1 ZINC000479212893 999328271 /nfs/dbraw/zinc/32/82/71/999328271.db2.gz IDKJJYUMBARWRD-UHFFFAOYSA-N 1 0 413.525 3.777 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000487970228 999331308 /nfs/dbraw/zinc/33/13/08/999331308.db2.gz RQJPFADOMKTOBT-KSSFIOAISA-N 1 0 423.355 3.579 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000487970226 999331363 /nfs/dbraw/zinc/33/13/63/999331363.db2.gz RQJPFADOMKTOBT-KBXCAEBGSA-N 1 0 423.355 3.579 20 30 HHEDRO N#CC1(NC(=O)COc2ccc(F)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479237934 999339317 /nfs/dbraw/zinc/33/93/17/999339317.db2.gz CTURZGJWBWILGW-UHFFFAOYSA-N 1 0 401.869 3.532 20 30 HHEDRO Cc1nc(-c2ccco2)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479303486 999375097 /nfs/dbraw/zinc/37/50/97/999375097.db2.gz BBIJASPDNMVSTI-UHFFFAOYSA-N 1 0 400.482 3.938 20 30 HHEDRO N#CC1(NC(=O)c2cc(F)ccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000479322323 999384543 /nfs/dbraw/zinc/38/45/43/999384543.db2.gz XTQCGJYVFNVGEK-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)C2=O)cc1 ZINC000479452510 999424107 /nfs/dbraw/zinc/42/41/07/999424107.db2.gz IXXSTBJNHZITJW-VWNXMTODSA-N 1 0 411.509 3.512 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CN[C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000479514451 999453992 /nfs/dbraw/zinc/45/39/92/999453992.db2.gz ORDKENWMIUSEMA-NRFANRHFSA-N 1 0 408.571 3.747 20 30 HHEDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476584 999499962 /nfs/dbraw/zinc/49/99/62/999499962.db2.gz GYHLTYUMGQAJAA-RTBURBONSA-N 1 0 424.526 3.728 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2=O)cc1 ZINC000488477806 999500903 /nfs/dbraw/zinc/50/09/03/999500903.db2.gz KDYAYUMZXAQRQY-VQTJNVASSA-N 1 0 410.315 3.699 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000488478163 999500980 /nfs/dbraw/zinc/50/09/80/999500980.db2.gz AXDDKMCRRBLOCX-LIRRHRJNSA-N 1 0 403.404 3.909 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)cc1 ZINC000488482398 999502812 /nfs/dbraw/zinc/50/28/12/999502812.db2.gz UZABKPXFWHJINT-VQTJNVASSA-N 1 0 415.415 3.835 20 30 HHEDRO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488546076 999523450 /nfs/dbraw/zinc/52/34/50/999523450.db2.gz QFPCAGALZYQIFB-FOIQADDNSA-N 1 0 412.331 3.815 20 30 HHEDRO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488546077 999523601 /nfs/dbraw/zinc/52/36/01/999523601.db2.gz QFPCAGALZYQIFB-MGPUTAFESA-N 1 0 412.331 3.815 20 30 HHEDRO COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC000488836144 999622995 /nfs/dbraw/zinc/62/29/95/999622995.db2.gz ATHUUDSGHWVKKH-SGNDLWITSA-N 1 0 420.557 3.645 20 30 HHEDRO Cn1cc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479910052 999645314 /nfs/dbraw/zinc/64/53/14/999645314.db2.gz CHYQOKRUVGJZKK-UHFFFAOYSA-N 1 0 413.525 3.875 20 30 HHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCCC1 ZINC000479914634 999647306 /nfs/dbraw/zinc/64/73/06/999647306.db2.gz JEEAOSQZKLGBGY-HSZRJFAPSA-N 1 0 415.541 3.894 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000488941006 999653063 /nfs/dbraw/zinc/65/30/63/999653063.db2.gz OMHLQVZXVQTDGA-QHCPKHFHSA-N 1 0 409.505 3.882 20 30 HHEDRO Cn1cc(C[NH2+]CCOc2cccc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479949947 999659967 /nfs/dbraw/zinc/65/99/67/999659967.db2.gz PILNOGQKCBVJKP-UHFFFAOYSA-N 1 0 411.303 3.890 20 30 HHEDRO Cn1cc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000479951714 999660633 /nfs/dbraw/zinc/66/06/33/999660633.db2.gz UTDYTRLYGWDWGY-UHFFFAOYSA-N 1 0 408.889 3.716 20 30 HHEDRO Cn1cc(C[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479973691 999669831 /nfs/dbraw/zinc/66/98/31/999669831.db2.gz ZVCNPAKABJYWJN-UHFFFAOYSA-N 1 0 422.492 3.896 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)CC1 ZINC000479992497 999677782 /nfs/dbraw/zinc/67/77/82/999677782.db2.gz VJKYNEVXCMOFNE-UHFFFAOYSA-N 1 0 414.557 3.708 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489113897 999703219 /nfs/dbraw/zinc/70/32/19/999703219.db2.gz IDJDKJVNMFLTKR-VQIMIIECSA-N 1 0 401.507 3.543 20 30 HHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Br)c(C)ccc32)C[C@H]1[NH+](C)C ZINC000480087784 999713849 /nfs/dbraw/zinc/71/38/49/999713849.db2.gz CYSYEWFEADBGLM-HUUCEWRRSA-N 1 0 405.365 3.659 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000489183565 999717997 /nfs/dbraw/zinc/71/79/97/999717997.db2.gz IZKKKCRSOXBORH-UHFFFAOYSA-N 1 0 417.575 3.833 20 30 HHEDRO CC(C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)[NH+]1CCN(C)CC1 ZINC000480121204 999722656 /nfs/dbraw/zinc/72/26/56/999722656.db2.gz PPPCXOLGZRGBQI-JOCHJYFZSA-N 1 0 422.598 3.711 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000480149638 999731149 /nfs/dbraw/zinc/73/11/49/999731149.db2.gz OQOGZMUQLBDILQ-OXQOHEQNSA-N 1 0 424.372 3.670 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc(OC)c1OC ZINC000489274554 999734856 /nfs/dbraw/zinc/73/48/56/999734856.db2.gz DJOJVSRCCMLNIW-FQEVSTJZSA-N 1 0 415.509 3.674 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000489296433 999739655 /nfs/dbraw/zinc/73/96/55/999739655.db2.gz ZKZKEDCNRQSORC-VGSWGCGISA-N 1 0 411.546 3.923 20 30 HHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000489296126 999739678 /nfs/dbraw/zinc/73/96/78/999739678.db2.gz TULBPOLHNZQNHB-QGZVFWFLSA-N 1 0 409.534 3.729 20 30 HHEDRO C=CCCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000489443902 999768791 /nfs/dbraw/zinc/76/87/91/999768791.db2.gz XBJOPNFBRCZDEN-WMZOPIPTSA-N 1 0 404.498 3.974 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000480455541 999802939 /nfs/dbraw/zinc/80/29/39/999802939.db2.gz MBPBMALYBKUSPS-QFIPXVFZSA-N 1 0 409.530 3.924 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)C(C)C ZINC000480568364 999828825 /nfs/dbraw/zinc/82/88/25/999828825.db2.gz KDUUIZPQGVIRBE-MOUTVQLLSA-N 1 0 411.590 3.899 20 30 HHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000490030437 999881167 /nfs/dbraw/zinc/88/11/67/999881167.db2.gz LJTMOFAZZNIVCF-VWNXMTODSA-N 1 0 402.542 3.508 20 30 HHEDRO COc1cccc(NC2CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000490091002 999891909 /nfs/dbraw/zinc/89/19/09/999891909.db2.gz RDTVOHVCPKSLJS-HSZRJFAPSA-N 1 0 404.514 3.639 20 30 HHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1S(=O)(=O)CCCCC#N ZINC000490422073 999955315 /nfs/dbraw/zinc/95/53/15/999955315.db2.gz NHVKWAWIUFXGOM-QFIPXVFZSA-N 1 0 405.608 3.675 20 30 HHEDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1OCc1cccc(C#N)c1 ZINC000490653811 999989247 /nfs/dbraw/zinc/98/92/47/999989247.db2.gz RXRZXEXVGIEAOE-VXKWHMMOSA-N 1 0 419.525 3.636 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC000490729528 999998194 /nfs/dbraw/zinc/99/81/94/999998194.db2.gz LETPEBIEVTVSBX-FQEVSTJZSA-N 1 0 404.505 3.991 20 30 HHEDRO Cn1cc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491089053 1000044208 /nfs/dbraw/zinc/04/42/08/1000044208.db2.gz CQHKCSKYZOTXBX-UHFFFAOYSA-N 1 0 405.546 3.573 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000504743859 1000350953 /nfs/dbraw/zinc/35/09/53/1000350953.db2.gz YLLXVYAZLCMGSE-QFIPXVFZSA-N 1 0 403.526 3.840 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494475310 1000512451 /nfs/dbraw/zinc/51/24/51/1000512451.db2.gz SJEVTZCFVLYDPI-DUVDMVPYSA-N 1 0 405.489 3.704 20 30 HHEDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494884665 1000711520 /nfs/dbraw/zinc/71/15/20/1000711520.db2.gz BOTBAWYGPJHXCC-ROUUACIJSA-N 1 0 400.567 3.724 20 30 HHEDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494996192 1000769106 /nfs/dbraw/zinc/76/91/06/1000769106.db2.gz KZXAPTXYDGTLKV-WIYYLYMNSA-N 1 0 412.578 3.867 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCCC2)cc1 ZINC000505449597 1000780876 /nfs/dbraw/zinc/78/08/76/1000780876.db2.gz RCKRSDYMRYGCGE-UHFFFAOYSA-N 1 0 412.331 3.996 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1C#N ZINC000495022760 1000784359 /nfs/dbraw/zinc/78/43/59/1000784359.db2.gz YIDIWMVWQOSVNG-SFHVURJKSA-N 1 0 420.517 3.549 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1)CCCC2 ZINC000495027478 1000787184 /nfs/dbraw/zinc/78/71/84/1000787184.db2.gz KUEVOHKWCOLGFR-WIYYLYMNSA-N 1 0 410.562 3.621 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000505622931 1000939279 /nfs/dbraw/zinc/93/92/79/1000939279.db2.gz QOYWDGDTYYAORT-DENIHFKCSA-N 1 0 405.542 3.913 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000505660898 1000961313 /nfs/dbraw/zinc/96/13/13/1000961313.db2.gz MWGHFFJNNVYFPA-QHCPKHFHSA-N 1 0 418.541 3.716 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000505790138 1001025064 /nfs/dbraw/zinc/02/50/64/1001025064.db2.gz OVSKCGYMFVSTRZ-GOSISDBHSA-N 1 0 420.513 3.779 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000505799235 1001032714 /nfs/dbraw/zinc/03/27/14/1001032714.db2.gz NWMUAXQXXMQGLR-UUOWRZLLSA-N 1 0 413.562 3.796 20 30 HHEDRO N#C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000505934471 1001111421 /nfs/dbraw/zinc/11/14/21/1001111421.db2.gz ZXXJKDFSMZPSEZ-AZUAARDMSA-N 1 0 405.395 3.961 20 30 HHEDRO COC(=O)c1c(-c2ccccc2)csc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000505962784 1001130276 /nfs/dbraw/zinc/13/02/76/1001130276.db2.gz REXUUKDEGCGHLI-UHFFFAOYSA-N 1 0 414.531 3.901 20 30 HHEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000506012150 1001161684 /nfs/dbraw/zinc/16/16/84/1001161684.db2.gz KXLSFFFWKPSRFB-UHFFFAOYSA-N 1 0 400.544 3.946 20 30 HHEDRO CCN(Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)=O ZINC000506197041 1001272241 /nfs/dbraw/zinc/27/22/41/1001272241.db2.gz SAYOKBVLNPKCIC-UHFFFAOYSA-N 1 0 421.545 3.522 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000497372753 1001317261 /nfs/dbraw/zinc/31/72/61/1001317261.db2.gz URZKQFIPXCBODU-QYZOEREBSA-N 1 0 405.608 3.668 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](c2ccccc2)C1 ZINC000497400453 1001339028 /nfs/dbraw/zinc/33/90/28/1001339028.db2.gz HSTWYGNWXKELOS-VXKWHMMOSA-N 1 0 401.466 3.558 20 30 HHEDRO C[N@@H+]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H](c2ccccc2)C1 ZINC000497418949 1001352550 /nfs/dbraw/zinc/35/25/50/1001352550.db2.gz SKINSXWCSIATSY-JWQCQUIFSA-N 1 0 411.505 3.965 20 30 HHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000506527986 1001451674 /nfs/dbraw/zinc/45/16/74/1001451674.db2.gz QUCPDWWXTBWFQC-SFHVURJKSA-N 1 0 400.542 3.542 20 30 HHEDRO CC[N@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617650 1001460321 /nfs/dbraw/zinc/46/03/21/1001460321.db2.gz HIWAFRKEHBYUME-KRWDZBQOSA-N 1 0 407.514 3.543 20 30 HHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000506745905 1001512140 /nfs/dbraw/zinc/51/21/40/1001512140.db2.gz ZNJMNOVYZWWWMW-HXOBKFHXSA-N 1 0 415.534 3.607 20 30 HHEDRO CC(C)(CCC#N)C[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000506788044 1001530541 /nfs/dbraw/zinc/53/05/41/1001530541.db2.gz LFHXURCJSLUVAA-UHFFFAOYSA-N 1 0 413.591 3.723 20 30 HHEDRO COc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(-c2ccccc2)cc1OC ZINC000498131480 1001655314 /nfs/dbraw/zinc/65/53/14/1001655314.db2.gz IDLTXNCWOUHVHK-UHFFFAOYSA-N 1 0 414.509 3.960 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000498155816 1001666845 /nfs/dbraw/zinc/66/68/45/1001666845.db2.gz KXYIMMZNFNQIOR-UHFFFAOYSA-N 1 0 409.578 3.651 20 30 HHEDRO COc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000498374869 1001805172 /nfs/dbraw/zinc/80/51/72/1001805172.db2.gz ODIWJQNEOIAOFA-UHFFFAOYSA-N 1 0 420.538 3.894 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498377824 1001808155 /nfs/dbraw/zinc/80/81/55/1001808155.db2.gz ODDIYQWTJWIHTM-APWZRJJASA-N 1 0 402.420 3.785 20 30 HHEDRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498381220 1001810969 /nfs/dbraw/zinc/81/09/69/1001810969.db2.gz YBMKRFJFCRNZIR-SFHVURJKSA-N 1 0 418.545 3.786 20 30 HHEDRO CCC(CC)[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000498388465 1001818139 /nfs/dbraw/zinc/81/81/39/1001818139.db2.gz DWMONQJFBXTRMI-VXKWHMMOSA-N 1 0 400.567 3.615 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000507119383 1001819641 /nfs/dbraw/zinc/81/96/41/1001819641.db2.gz GWNUASPHLMSHGV-UHFFFAOYSA-N 1 0 424.451 3.909 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000507185383 1001874783 /nfs/dbraw/zinc/87/47/83/1001874783.db2.gz XGMWOTYKRGUCTN-UHFFFAOYSA-N 1 0 406.368 3.989 20 30 HHEDRO COc1ccccc1C[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000507219771 1001906676 /nfs/dbraw/zinc/90/66/76/1001906676.db2.gz QLHJWVMHOAZRLJ-CLOONOSVSA-N 1 0 405.542 3.937 20 30 HHEDRO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000507221772 1001907732 /nfs/dbraw/zinc/90/77/32/1001907732.db2.gz ODKIBEFETQEVME-UHFFFAOYSA-N 1 0 421.541 3.980 20 30 HHEDRO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507259993 1001944202 /nfs/dbraw/zinc/94/42/02/1001944202.db2.gz OTQGNZLQHQFCBV-QFIPXVFZSA-N 1 0 420.553 3.910 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000507307674 1001987569 /nfs/dbraw/zinc/98/75/69/1001987569.db2.gz YPKBVMLUPUWATB-MBSDFSHPSA-N 1 0 405.583 3.751 20 30 HHEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000498600974 1002006713 /nfs/dbraw/zinc/00/67/13/1002006713.db2.gz LGVHRIYHSVDIPX-OAQYLSRUSA-N 1 0 407.558 3.924 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000507512796 1002123936 /nfs/dbraw/zinc/12/39/36/1002123936.db2.gz UTIXSUIDCVWUOI-UHFFFAOYSA-N 1 0 408.521 3.682 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498906221 1002300657 /nfs/dbraw/zinc/30/06/57/1002300657.db2.gz GNSZEUOBKXYBOS-FPOVZHCZSA-N 1 0 411.546 3.913 20 30 HHEDRO N#Cc1ccc(CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C2CC2)cc1 ZINC000507716416 1002305643 /nfs/dbraw/zinc/30/56/43/1002305643.db2.gz VZGWGTNWWRHHKZ-UHFFFAOYSA-N 1 0 420.582 3.710 20 30 HHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1CC(F)F ZINC000498937328 1002336586 /nfs/dbraw/zinc/33/65/86/1002336586.db2.gz QCTNQQCVNIFUEH-OAHLLOKOSA-N 1 0 424.561 3.879 20 30 HHEDRO Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000507816163 1002362699 /nfs/dbraw/zinc/36/26/99/1002362699.db2.gz ULCYSDUNJVZXJH-UHFFFAOYSA-N 1 0 412.541 3.846 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000499041994 1002421104 /nfs/dbraw/zinc/42/11/04/1002421104.db2.gz ATWJLAUGEDOATQ-UHFFFAOYSA-N 1 0 412.440 3.845 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(OC(F)F)cc1 ZINC000499052129 1002433590 /nfs/dbraw/zinc/43/35/90/1002433590.db2.gz HREUKPCYAYCYPR-UHFFFAOYSA-N 1 0 401.457 3.683 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000499327565 1002732679 /nfs/dbraw/zinc/73/26/79/1002732679.db2.gz AZQCAMXOSODWKN-UHFFFAOYSA-N 1 0 411.550 3.996 20 30 HHEDRO N#CC1(CCC[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)CCOCC1 ZINC000499522233 1002911551 /nfs/dbraw/zinc/91/15/51/1002911551.db2.gz KKITZNTVEOXRFL-GOSISDBHSA-N 1 0 402.514 3.760 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499581030 1002958703 /nfs/dbraw/zinc/95/87/03/1002958703.db2.gz WZISKQANCDSZJB-MOPGFXCFSA-N 1 0 406.530 3.729 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000499585389 1002961872 /nfs/dbraw/zinc/96/18/72/1002961872.db2.gz HILIAMMQROQMOT-DLBZAZTESA-N 1 0 405.502 3.757 20 30 HHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000508479813 1002963825 /nfs/dbraw/zinc/96/38/25/1002963825.db2.gz BTSPAQWRMWXMNF-UHFFFAOYSA-N 1 0 413.566 3.670 20 30 HHEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508492449 1002975334 /nfs/dbraw/zinc/97/53/34/1002975334.db2.gz JOFHTGGKNJHOEU-OAHLLOKOSA-N 1 0 419.371 3.534 20 30 HHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508499460 1002982193 /nfs/dbraw/zinc/98/21/93/1002982193.db2.gz ZNBZCMFNHYEICD-KNQAVFIVSA-N 1 0 407.562 3.805 20 30 HHEDRO C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508505361 1002987304 /nfs/dbraw/zinc/98/73/04/1002987304.db2.gz NMTKMLODNZEICU-UHFFFAOYSA-N 1 0 408.319 3.563 20 30 HHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000508508117 1002990174 /nfs/dbraw/zinc/99/01/74/1002990174.db2.gz VOIBMYPTXCYAEU-OAHLLOKOSA-N 1 0 422.360 3.596 20 30 HHEDRO CC[N@H+](CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1)CC1CC1 ZINC000508545362 1003020283 /nfs/dbraw/zinc/02/02/83/1003020283.db2.gz VPHCQSZXDLFLQK-UHFFFAOYSA-N 1 0 422.577 3.604 20 30 HHEDRO C=CCN1CC[C@H]([NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000499713334 1003062630 /nfs/dbraw/zinc/06/26/30/1003062630.db2.gz XUIXEGXHUFUIPI-RBUKOAKNSA-N 1 0 400.320 3.504 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)CC1 ZINC000499754221 1003096430 /nfs/dbraw/zinc/09/64/30/1003096430.db2.gz DTSLYSAIERQKBA-HNNXBMFYSA-N 1 0 406.368 3.946 20 30 HHEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508810885 1003236924 /nfs/dbraw/zinc/23/69/24/1003236924.db2.gz QPMLSVLFFKAZFY-UHFFFAOYSA-N 1 0 402.340 3.568 20 30 HHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508812337 1003237606 /nfs/dbraw/zinc/23/76/06/1003237606.db2.gz KQACAKUVZNHJFC-BGYRXZFFSA-N 1 0 409.578 3.765 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508814174 1003238806 /nfs/dbraw/zinc/23/88/06/1003238806.db2.gz RYLWDPFJZACIJX-UHFFFAOYSA-N 1 0 423.586 3.607 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508817281 1003242040 /nfs/dbraw/zinc/24/20/40/1003242040.db2.gz NATKHKAOOUSMHG-HNNXBMFYSA-N 1 0 419.932 3.613 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508839992 1003260855 /nfs/dbraw/zinc/26/08/55/1003260855.db2.gz JDKVRXPAIOIWEC-UHFFFAOYSA-N 1 0 422.758 3.831 20 30 HHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000508846643 1003267275 /nfs/dbraw/zinc/26/72/75/1003267275.db2.gz HMSFKGQPBQQPJO-UHFFFAOYSA-N 1 0 403.530 3.504 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508876556 1003296387 /nfs/dbraw/zinc/29/63/87/1003296387.db2.gz YDEQBFUXKBXGAY-LJQANCHMSA-N 1 0 403.534 3.586 20 30 HHEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508886056 1003311193 /nfs/dbraw/zinc/31/11/93/1003311193.db2.gz WNTFJKKSMIJLDY-SFHVURJKSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508897990 1003328834 /nfs/dbraw/zinc/32/88/34/1003328834.db2.gz ZZNLOJCQKSHXKQ-IBGZPJMESA-N 1 0 424.549 3.988 20 30 HHEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508904018 1003341076 /nfs/dbraw/zinc/34/10/76/1003341076.db2.gz RPEIYXFSELDMER-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508917425 1003356674 /nfs/dbraw/zinc/35/66/74/1003356674.db2.gz CAPFPVUHGPYVGF-GHTZIAJQSA-N 1 0 401.599 3.900 20 30 HHEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508923782 1003363371 /nfs/dbraw/zinc/36/33/71/1003363371.db2.gz WNJPVJNKAMPINN-UHFFFAOYSA-N 1 0 419.371 3.676 20 30 HHEDRO C=CCn1c(COc2ccccc2OCC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508930275 1003376217 /nfs/dbraw/zinc/37/62/17/1003376217.db2.gz DRBSMYGRRYNWQL-IBGZPJMESA-N 1 0 411.550 3.506 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508964517 1003428788 /nfs/dbraw/zinc/42/87/88/1003428788.db2.gz UTZZDXABNRSYDQ-UHFFFAOYSA-N 1 0 404.356 3.860 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000500100080 1003462161 /nfs/dbraw/zinc/46/21/61/1003462161.db2.gz RYVCNJRXBLZGLW-UHFFFAOYSA-N 1 0 408.571 3.887 20 30 HHEDRO C=CCn1c(N2CC[C@H](C[NH+](CC)CC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000508998231 1003469597 /nfs/dbraw/zinc/46/95/97/1003469597.db2.gz MDQYFKICWVPPAL-QGZVFWFLSA-N 1 0 405.493 3.761 20 30 HHEDRO C[C@](C#N)(NC(=O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1)C1CC1 ZINC000509049641 1003514688 /nfs/dbraw/zinc/51/46/88/1003514688.db2.gz SKRMUSFFDMKLCU-HXUWFJFHSA-N 1 0 404.352 3.611 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[NH+]2CCCC2)o1 ZINC000509193277 1003616591 /nfs/dbraw/zinc/61/65/91/1003616591.db2.gz FJUNCCULEKJEJA-JOCHJYFZSA-N 1 0 424.520 3.769 20 30 HHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000500416058 1003702981 /nfs/dbraw/zinc/70/29/81/1003702981.db2.gz MQOKDCJMBMIAMM-MRXNPFEDSA-N 1 0 416.472 3.994 20 30 HHEDRO N#Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000500441269 1003719521 /nfs/dbraw/zinc/71/95/21/1003719521.db2.gz PEQLUSABEVCELJ-UHFFFAOYSA-N 1 0 416.447 3.995 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511823167 1003793350 /nfs/dbraw/zinc/79/33/50/1003793350.db2.gz KMFFLVADHVWTOJ-HNAYVOBHSA-N 1 0 417.431 3.735 20 30 HHEDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1OCCCC#N ZINC000511857967 1003838637 /nfs/dbraw/zinc/83/86/37/1003838637.db2.gz FUBCKFCPJVCEME-UHFFFAOYSA-N 1 0 413.543 3.834 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500648981 1003862579 /nfs/dbraw/zinc/86/25/79/1003862579.db2.gz 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408.933 3.748 20 30 HHEDRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000512315414 1004210937 /nfs/dbraw/zinc/21/09/37/1004210937.db2.gz UGBBHCHWOIXGCE-UHFFFAOYSA-N 1 0 417.509 3.948 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512399838 1004271402 /nfs/dbraw/zinc/27/14/02/1004271402.db2.gz BDZALPUIPBYKSM-ZFWWWQNUSA-N 1 0 415.481 3.508 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000512428375 1004294626 /nfs/dbraw/zinc/29/46/26/1004294626.db2.gz SRGTULWRKWELLZ-VQIMIIECSA-N 1 0 412.534 3.572 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1C#N ZINC000512428373 1004295018 /nfs/dbraw/zinc/29/50/18/1004295018.db2.gz SRGTULWRKWELLZ-LPHOPBHVSA-N 1 0 412.534 3.572 20 30 HHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000512432100 1004298216 /nfs/dbraw/zinc/29/82/16/1004298216.db2.gz CUFLSGHLNHUWAJ-INIZCTEOSA-N 1 0 420.273 3.600 20 30 HHEDRO 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ZINC000511049917 1004997313 /nfs/dbraw/zinc/99/73/13/1004997313.db2.gz RVSPYHMDYOHDMF-YGWFNULRSA-N 1 0 403.526 3.660 20 30 HHEDRO C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000502294857 1004998084 /nfs/dbraw/zinc/99/80/84/1004998084.db2.gz QBPFJOODASRDCQ-LJQANCHMSA-N 1 0 400.526 3.804 20 30 HHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000502330100 1005015627 /nfs/dbraw/zinc/01/56/27/1005015627.db2.gz CCXJWFANWLDRTC-UHFFFAOYSA-N 1 0 420.435 3.794 20 30 HHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000502334142 1005017996 /nfs/dbraw/zinc/01/79/96/1005017996.db2.gz SDKBPONLXFGDID-LJQANCHMSA-N 1 0 407.518 3.668 20 30 HHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000502364053 1005036682 /nfs/dbraw/zinc/03/66/82/1005036682.db2.gz XXWUEVTXKNQQPT-FQEVSTJZSA-N 1 0 415.497 3.792 20 30 HHEDRO COCC[N@H+](C)CC[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 ZINC000511148612 1005045765 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IITKPNWNLCZUHG-SIKLNZKXSA-N 1 0 418.541 3.947 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511259725 1005095885 /nfs/dbraw/zinc/09/58/85/1005095885.db2.gz QLOKXGSZKBRQMY-RTBURBONSA-N 1 0 412.578 3.868 20 30 HHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000502535133 1005107095 /nfs/dbraw/zinc/10/70/95/1005107095.db2.gz WBRLFLLEDBRFKJ-FQEVSTJZSA-N 1 0 413.315 3.850 20 30 HHEDRO COc1ccc2cccc(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2c1 ZINC000513780477 1005123534 /nfs/dbraw/zinc/12/35/34/1005123534.db2.gz XUSVCBXAXHHUJK-UHFFFAOYSA-N 1 0 401.510 3.853 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000511338603 1005130061 /nfs/dbraw/zinc/13/00/61/1005130061.db2.gz SDVIQEWOTJIQOB-QFIPXVFZSA-N 1 0 422.529 3.570 20 30 HHEDRO C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(C#N)cc1 ZINC000502618006 1005143705 /nfs/dbraw/zinc/14/37/05/1005143705.db2.gz QSZUEYZMZQDJQC-MOPGFXCFSA-N 1 0 406.530 3.818 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000511373317 1005145101 /nfs/dbraw/zinc/14/51/01/1005145101.db2.gz XHDMBYUAEVYKGD-UPVQGACJSA-N 1 0 420.557 3.799 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000502623091 1005146064 /nfs/dbraw/zinc/14/60/64/1005146064.db2.gz KWVWAKPPXINZGP-UHFFFAOYSA-N 1 0 422.529 3.871 20 30 HHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000511413406 1005165835 /nfs/dbraw/zinc/16/58/35/1005165835.db2.gz IBUUMGFMCSRRIA-UHFFFAOYSA-N 1 0 415.582 3.653 20 30 HHEDRO CC[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000502816606 1005229676 /nfs/dbraw/zinc/22/96/76/1005229676.db2.gz ZGVIHFSFPZDRSM-QFIPXVFZSA-N 1 0 413.525 3.619 20 30 HHEDRO N#Cc1ccccc1N1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000514028787 1005234887 /nfs/dbraw/zinc/23/48/87/1005234887.db2.gz JUGVGAFJOYDMRO-UHFFFAOYSA-N 1 0 417.557 3.576 20 30 HHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 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CC[C@H]1Oc2cc([C@@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)ccc2NC1=O ZINC000539495088 1007806121 /nfs/dbraw/zinc/80/61/21/1007806121.db2.gz CVQYUAJGYQMLCB-UZUQRXQVSA-N 1 0 418.541 3.983 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c1C#N ZINC000533533305 1007855997 /nfs/dbraw/zinc/85/59/97/1007855997.db2.gz CMVMULKDYDYUGU-UHFFFAOYSA-N 1 0 408.546 3.853 20 30 HHEDRO C[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@H+](C)Cc1ccccc1 ZINC000517657320 1007869293 /nfs/dbraw/zinc/86/92/93/1007869293.db2.gz PSUKDCRNWGPBED-GOSISDBHSA-N 1 0 403.482 3.981 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2C)[NH+](CC)CC)cc1 ZINC000517765100 1007951847 /nfs/dbraw/zinc/95/18/47/1007951847.db2.gz WAYHSULTODVWAU-JOCHJYFZSA-N 1 0 406.530 3.567 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000536034921 1008068339 /nfs/dbraw/zinc/06/83/39/1008068339.db2.gz HAEFVOVDKSQEKW-NQIIRXRSSA-N 1 0 407.514 3.544 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000517982152 1008085942 /nfs/dbraw/zinc/08/59/42/1008085942.db2.gz FHCNTJNOJCJPFN-QGZVFWFLSA-N 1 0 423.517 3.933 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)c2)c1 ZINC000539830106 1008123666 /nfs/dbraw/zinc/12/36/66/1008123666.db2.gz QVZPCKCKZXBVIL-QHCPKHFHSA-N 1 0 403.526 3.972 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000533948014 1008225151 /nfs/dbraw/zinc/22/51/51/1008225151.db2.gz LWVOTVYAVXQUDX-PMACEKPBSA-N 1 0 401.432 3.802 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000518288242 1008241093 /nfs/dbraw/zinc/24/10/93/1008241093.db2.gz BUXVQROQTBGNKB-UHFFFAOYSA-N 1 0 422.529 3.949 20 30 HHEDRO Cn1cc(C#N)cc1C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000540024903 1008242992 /nfs/dbraw/zinc/24/29/92/1008242992.db2.gz XCTJLAWLKMZIAK-UHFFFAOYSA-N 1 0 413.525 3.514 20 30 HHEDRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000518317884 1008258494 /nfs/dbraw/zinc/25/84/94/1008258494.db2.gz PWLQGBOVZGJCHN-JOCHJYFZSA-N 1 0 419.506 3.926 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540077978 1008275561 /nfs/dbraw/zinc/27/55/61/1008275561.db2.gz QIVQNHJPWCKGSJ-UHFFFAOYSA-N 1 0 416.447 3.668 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)ccc1S(C)(=O)=O ZINC000540186545 1008327809 /nfs/dbraw/zinc/32/78/09/1008327809.db2.gz FYDKTZBOMMIGAY-CQSZACIVSA-N 1 0 411.445 3.820 20 30 HHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000518544773 1008343425 /nfs/dbraw/zinc/34/34/25/1008343425.db2.gz IMOLMLWMIFECJI-UHFFFAOYSA-N 1 0 415.607 3.588 20 30 HHEDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)O1 ZINC000518551831 1008345663 /nfs/dbraw/zinc/34/56/63/1008345663.db2.gz WVOOPNWBVNSJOX-IAGOWNOFSA-N 1 0 411.477 3.719 20 30 HHEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCO2 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YUBKQIFCJZAWCS-UHFFFAOYSA-N 1 0 400.548 3.825 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)CC1 ZINC000519270319 1008679697 /nfs/dbraw/zinc/67/96/97/1008679697.db2.gz HDYKADRKYXXFIM-WWNPGLIZSA-N 1 0 409.574 3.617 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549117262 1008683751 /nfs/dbraw/zinc/68/37/51/1008683751.db2.gz VSDDYMITKNZCRV-UYAOXDASSA-N 1 0 408.949 3.745 20 30 HHEDRO COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000519305480 1008717406 /nfs/dbraw/zinc/71/74/06/1008717406.db2.gz VRRAXWUTRVKLQV-UHFFFAOYSA-N 1 0 416.525 3.880 20 30 HHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000549235880 1008805884 /nfs/dbraw/zinc/80/58/84/1008805884.db2.gz PYMZAEMLLCHOIR-VJBWXMMDSA-N 1 0 417.509 3.825 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000519440348 1008817542 /nfs/dbraw/zinc/81/75/42/1008817542.db2.gz CCKNSAIXVUMJTG-GOSISDBHSA-N 1 0 416.591 3.505 20 30 HHEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(COc4ccccc4C#N)n3)cc2Cl)CC1 ZINC000545738766 1008827175 /nfs/dbraw/zinc/82/71/75/1008827175.db2.gz KNCCDUXBFQWCEV-UHFFFAOYSA-N 1 0 423.904 3.983 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000549262151 1008832515 /nfs/dbraw/zinc/83/25/15/1008832515.db2.gz LUKZAAZCCJPXIY-URXFXBBRSA-N 1 0 406.526 3.795 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549263446 1008833430 /nfs/dbraw/zinc/83/34/30/1008833430.db2.gz GZTOUBJAGDRPGI-UHFFFAOYSA-N 1 0 405.550 3.674 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549264128 1008834037 /nfs/dbraw/zinc/83/40/37/1008834037.db2.gz YOKZFLPORRXPEY-HNNXBMFYSA-N 1 0 421.387 3.780 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000549334598 1008912751 /nfs/dbraw/zinc/91/27/51/1008912751.db2.gz NZIUOPJSJYJKEL-FQEVSTJZSA-N 1 0 424.932 3.567 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)c(F)c1 ZINC000549341388 1008921111 /nfs/dbraw/zinc/92/11/11/1008921111.db2.gz WICOSADDAHZIHW-NRFANRHFSA-N 1 0 406.505 3.692 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000543350461 1008936749 /nfs/dbraw/zinc/93/67/49/1008936749.db2.gz WSRBTQFYFGWAML-UHFFFAOYSA-N 1 0 422.529 3.712 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543352077 1008939248 /nfs/dbraw/zinc/93/92/48/1008939248.db2.gz NMQPLVFXEZTUFM-NRFANRHFSA-N 1 0 422.529 3.569 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[NH+]2CCCC2)cc1 ZINC000549365015 1008946888 /nfs/dbraw/zinc/94/68/88/1008946888.db2.gz WFYMLYUBNAGSMX-GOSISDBHSA-N 1 0 418.419 3.548 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1Cc1ccncc1 ZINC000545876391 1008965139 /nfs/dbraw/zinc/96/51/39/1008965139.db2.gz KGWAUYOWHHKVBC-UHFFFAOYSA-N 1 0 415.541 3.624 20 30 HHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000519783688 1009003979 /nfs/dbraw/zinc/00/39/79/1009003979.db2.gz AOUHSSFVPODRCG-MAUKXSAKSA-N 1 0 401.942 3.930 20 30 HHEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2OCCN2CCOCC2)c(C(F)(F)F)c1 ZINC000519795991 1009013808 /nfs/dbraw/zinc/01/38/08/1009013808.db2.gz ZNRAYALLGAZSRH-UHFFFAOYSA-N 1 0 419.447 3.578 20 30 HHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CC(=O)N(CCC#N)c3ccccc3)CCN2C2CC2)c1 ZINC000549468177 1009062088 /nfs/dbraw/zinc/06/20/88/1009062088.db2.gz IMRZAXQBJRTNGM-UKILVPOCSA-N 1 0 418.541 3.509 20 30 HHEDRO COc1cc(OC)cc(C2(F)CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000549477854 1009075516 /nfs/dbraw/zinc/07/55/16/1009075516.db2.gz NRAHHMYEGSMCFY-UHFFFAOYSA-N 1 0 417.525 3.649 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000543495842 1009085005 /nfs/dbraw/zinc/08/50/05/1009085005.db2.gz DJYCCHICERJELD-SFTDATJTSA-N 1 0 412.509 3.650 20 30 HHEDRO CC[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000546110229 1009133705 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DIDZQUFVJNVEPD-UHFFFAOYSA-N 1 0 407.543 3.961 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000543764687 1009335598 /nfs/dbraw/zinc/33/55/98/1009335598.db2.gz DNLLDOGIYFXSEW-UHFFFAOYSA-N 1 0 410.497 3.613 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000549830118 1009440598 /nfs/dbraw/zinc/44/05/98/1009440598.db2.gz OWKCJMJUBBSMEU-QZTJIDSGSA-N 1 0 405.477 3.997 20 30 HHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000543891593 1009471370 /nfs/dbraw/zinc/47/13/70/1009471370.db2.gz WIKONVCFUJESAC-UHFFFAOYSA-N 1 0 400.914 3.639 20 30 HHEDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543932900 1009525238 /nfs/dbraw/zinc/52/52/38/1009525238.db2.gz FAXLIXZSBOXOOW-UHFFFAOYSA-N 1 0 409.877 3.590 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2Cc2cccs2)c1 ZINC000549948097 1009557092 /nfs/dbraw/zinc/55/70/92/1009557092.db2.gz ICLDNRATKNJTAS-FQEVSTJZSA-N 1 0 418.570 3.991 20 30 HHEDRO C[C@@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543998302 1009599157 /nfs/dbraw/zinc/59/91/57/1009599157.db2.gz LIMZELZSSAIKGK-OAQYLSRUSA-N 1 0 418.585 3.672 20 30 HHEDRO COc1cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)ccc1OCc1cccc(C#N)c1 ZINC000550141381 1009725278 /nfs/dbraw/zinc/72/52/78/1009725278.db2.gz WFQLZCOIRAIEGM-JWQCQUIFSA-N 1 0 422.525 3.556 20 30 HHEDRO COc1cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1OCc1cccc(C#N)c1 ZINC000550141383 1009725569 /nfs/dbraw/zinc/72/55/69/1009725569.db2.gz WFQLZCOIRAIEGM-RPBOFIJWSA-N 1 0 422.525 3.556 20 30 HHEDRO COc1cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1OCc1cccc(C#N)c1 ZINC000550141380 1009725752 /nfs/dbraw/zinc/72/57/52/1009725752.db2.gz WFQLZCOIRAIEGM-DQEYMECFSA-N 1 0 422.525 3.556 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000544176172 1009780404 /nfs/dbraw/zinc/78/04/04/1009780404.db2.gz RYIGUPCUXCKGSP-VWNXMTODSA-N 1 0 406.530 3.511 20 30 HHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520722965 1009791023 /nfs/dbraw/zinc/79/10/23/1009791023.db2.gz WGXZXKUHOGHHKT-LJQANCHMSA-N 1 0 411.477 3.672 20 30 HHEDRO CS[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1[NH+](C)C ZINC000546843699 1009801830 /nfs/dbraw/zinc/80/18/30/1009801830.db2.gz BCGITNWHQXTESE-YADHBBJMSA-N 1 0 424.570 3.955 20 30 HHEDRO Cc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc(C)c1OCc1ccccn1 ZINC000546966153 1009922464 /nfs/dbraw/zinc/92/24/64/1009922464.db2.gz VFNDNYIFUVMSMA-UHFFFAOYSA-N 1 0 413.525 3.866 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000550538052 1010012208 /nfs/dbraw/zinc/01/22/08/1010012208.db2.gz HTLSKZBHAKJPMT-UHFFFAOYSA-N 1 0 405.542 3.504 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000544399096 1010019360 /nfs/dbraw/zinc/01/93/60/1010019360.db2.gz HTLBBORGLPWSEE-IBGZPJMESA-N 1 0 410.905 3.630 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000544452453 1010076372 /nfs/dbraw/zinc/07/63/72/1010076372.db2.gz RPMRTGATDAYOAR-LSDHHAIUSA-N 1 0 423.007 3.913 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000550695086 1010106376 /nfs/dbraw/zinc/10/63/76/1010106376.db2.gz JWVOQRLKZCPIQO-HUUCEWRRSA-N 1 0 418.607 3.728 20 30 HHEDRO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000521128089 1010151626 /nfs/dbraw/zinc/15/16/26/1010151626.db2.gz PXJLAXJZROAVCB-KRWDZBQOSA-N 1 0 402.464 3.877 20 30 HHEDRO C[C@@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000550766606 1010164651 /nfs/dbraw/zinc/16/46/51/1010164651.db2.gz WXQXEVRMOXTONP-RDTXWAMCSA-N 1 0 412.559 3.663 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000521174722 1010207716 /nfs/dbraw/zinc/20/77/16/1010207716.db2.gz ICASDTYVFYHJDB-UHFFFAOYSA-N 1 0 422.573 3.571 20 30 HHEDRO C=CCN1CCC([NH2+]C2CCN(C(=O)c3ccc(Br)cc3C)CC2)CC1 ZINC000544828853 1010420191 /nfs/dbraw/zinc/42/01/91/1010420191.db2.gz APZWDUJOFLEQMU-UHFFFAOYSA-N 1 0 420.395 3.602 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000521508327 1010422505 /nfs/dbraw/zinc/42/25/05/1010422505.db2.gz LDQVWGDZYKUQQX-PKTZIBPZSA-N 1 0 424.520 3.691 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000521508324 1010422761 /nfs/dbraw/zinc/42/27/61/1010422761.db2.gz LDQVWGDZYKUQQX-DHIUTWEWSA-N 1 0 424.520 3.691 20 30 HHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)C1 ZINC000551277494 1010489557 /nfs/dbraw/zinc/48/95/57/1010489557.db2.gz LBSZXJODWRBDGZ-CQSZACIVSA-N 1 0 418.419 3.945 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000521595802 1010492097 /nfs/dbraw/zinc/49/20/97/1010492097.db2.gz MWULIVCYAPHJLK-SFHVURJKSA-N 1 0 424.545 3.680 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000521687349 1010551706 /nfs/dbraw/zinc/55/17/06/1010551706.db2.gz ODQVYJMOFXUVAZ-UHFFFAOYSA-N 1 0 421.438 3.969 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551420131 1010575639 /nfs/dbraw/zinc/57/56/39/1010575639.db2.gz VIYVZEXAJSQHAA-UXHICEINSA-N 1 0 411.468 3.817 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551420132 1010575753 /nfs/dbraw/zinc/57/57/53/1010575753.db2.gz VIYVZEXAJSQHAA-VQTJNVASSA-N 1 0 411.468 3.817 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521807416 1010633023 /nfs/dbraw/zinc/63/30/23/1010633023.db2.gz KVXXAMJDBJSADE-FGTMMUONSA-N 1 0 416.591 3.504 20 30 HHEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC3 ZINC000545191910 1010678868 /nfs/dbraw/zinc/67/88/68/1010678868.db2.gz XRHLOEPOZLNLKL-XDHUDOTRSA-N 1 0 414.509 3.691 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CC(OCc4ccccc4)C3)CC2)cc1 ZINC000545209526 1010684939 /nfs/dbraw/zinc/68/49/39/1010684939.db2.gz PQBHGMDTLFOTJP-UHFFFAOYSA-N 1 0 418.541 3.523 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000548811171 1010735937 /nfs/dbraw/zinc/73/59/37/1010735937.db2.gz WCDMIXATAUOFNT-UHFFFAOYSA-N 1 0 421.545 3.891 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(C)CCOc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000548931187 1010765892 /nfs/dbraw/zinc/76/58/92/1010765892.db2.gz QFAQNNOALADVOC-OAHLLOKOSA-N 1 0 416.319 3.509 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000522078694 1010795990 /nfs/dbraw/zinc/79/59/90/1010795990.db2.gz OJFOKQMSLSTFFF-IVCWUUCSSA-N 1 0 412.578 3.915 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000522108379 1010816349 /nfs/dbraw/zinc/81/63/49/1010816349.db2.gz RDJQWKMSEHKRNK-GOSISDBHSA-N 1 0 423.557 3.678 20 30 HHEDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000522213851 1010869893 /nfs/dbraw/zinc/86/98/93/1010869893.db2.gz ARUVONUIVAQJKT-UHFFFAOYSA-N 1 0 401.514 3.602 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](C)C1 ZINC000522365475 1010960480 /nfs/dbraw/zinc/96/04/80/1010960480.db2.gz XQZKUTXCMDRAMW-AVRDEDQJSA-N 1 0 422.529 3.612 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000522430725 1011005600 /nfs/dbraw/zinc/00/56/00/1011005600.db2.gz FTZIUOBGFIIUSU-MSOLQXFVSA-N 1 0 423.536 3.961 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000522633307 1011125413 /nfs/dbraw/zinc/12/54/13/1011125413.db2.gz KXKIYKBAXHLPGZ-IBGZPJMESA-N 1 0 413.905 3.845 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000522772955 1011207904 /nfs/dbraw/zinc/20/79/04/1011207904.db2.gz HNBDZOJRPPHSQZ-MSOLQXFVSA-N 1 0 416.591 3.790 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCNc3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000540593209 1011250930 /nfs/dbraw/zinc/25/09/30/1011250930.db2.gz CWTKQAWZMNCCDC-UHFFFAOYSA-N 1 0 412.541 3.681 20 30 HHEDRO C[C@H]1CN(Cc2cccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000540597985 1011252907 /nfs/dbraw/zinc/25/29/07/1011252907.db2.gz ZZKMFWXGGHVMFV-NRFANRHFSA-N 1 0 418.585 3.533 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ccc(Br)cc3)CC2)cc1 ZINC000540607657 1011260457 /nfs/dbraw/zinc/26/04/57/1011260457.db2.gz TYHSKXGZKMGEPT-UHFFFAOYSA-N 1 0 414.347 3.954 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](CO)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000540609267 1011261011 /nfs/dbraw/zinc/26/10/11/1011261011.db2.gz ZNCFVROOYVOZOR-OAQYLSRUSA-N 1 0 403.448 3.865 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000540614722 1011265836 /nfs/dbraw/zinc/26/58/36/1011265836.db2.gz XZKVSYJWDGSWKC-YGWFNULRSA-N 1 0 403.526 3.660 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000522902832 1011347055 /nfs/dbraw/zinc/34/70/55/1011347055.db2.gz LLZGROKMPXIFBL-UHFFFAOYSA-N 1 0 423.561 3.768 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000540738988 1011390588 /nfs/dbraw/zinc/39/05/88/1011390588.db2.gz ICNITERCTYJXJA-UHFFFAOYSA-N 1 0 404.514 3.566 20 30 HHEDRO Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nn1CCC#N ZINC000540815545 1011476491 /nfs/dbraw/zinc/47/64/91/1011476491.db2.gz HYAOTAYMBUVCHE-HSZRJFAPSA-N 1 0 406.534 3.625 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540864676 1011540253 /nfs/dbraw/zinc/54/02/53/1011540253.db2.gz OBSKRTQUDZXQNT-KRWDZBQOSA-N 1 0 412.563 3.994 20 30 HHEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCCC1 ZINC000523078300 1011547470 /nfs/dbraw/zinc/54/74/70/1011547470.db2.gz FTFGEXYVFWKHFW-QFIPXVFZSA-N 1 0 420.513 3.526 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)sc2c1CCCC2 ZINC000536347350 1011551442 /nfs/dbraw/zinc/55/14/42/1011551442.db2.gz CDVHXZRMRKFCNB-HZPDHXFCSA-N 1 0 419.616 3.814 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1ccc(Cl)cc1 ZINC000540875803 1011554008 /nfs/dbraw/zinc/55/40/08/1011554008.db2.gz MZJDNBGEEUIZTK-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000541044045 1011682961 /nfs/dbraw/zinc/68/29/61/1011682961.db2.gz URRGVKKOTJRJJV-UHFFFAOYSA-N 1 0 404.565 3.506 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c1C#N ZINC000541051267 1011691397 /nfs/dbraw/zinc/69/13/97/1011691397.db2.gz HESZCYAMRKNAAL-QFIPXVFZSA-N 1 0 420.488 3.675 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000523246522 1011734153 /nfs/dbraw/zinc/73/41/53/1011734153.db2.gz WRKPQJGMEHFLBU-SFHVURJKSA-N 1 0 423.536 3.742 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000541141866 1011800757 /nfs/dbraw/zinc/80/07/57/1011800757.db2.gz NUOIWADLQIMZAT-KRWDZBQOSA-N 1 0 420.904 3.643 20 30 HHEDRO C=CC[N@@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675226 1011835193 /nfs/dbraw/zinc/83/51/93/1011835193.db2.gz GEQJYHZSWKGLLD-IRXDYDNUSA-N 1 0 405.502 3.744 20 30 HHEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000541216178 1011888008 /nfs/dbraw/zinc/88/80/08/1011888008.db2.gz DDVBXHYFAWTDHN-VQSBYGRUSA-N 1 0 408.502 3.659 20 30 HHEDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536753622 1011942724 /nfs/dbraw/zinc/94/27/24/1011942724.db2.gz HELLPNCYSGKOSV-MRXNPFEDSA-N 1 0 400.914 3.592 20 30 HHEDRO C[S@@](=O)C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000537160453 1012560049 /nfs/dbraw/zinc/56/00/49/1012560049.db2.gz RLTSUUOEZBPTLE-XDBZFTIUSA-N 1 0 415.584 3.537 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C1CCOCC1 ZINC000537220761 1012646498 /nfs/dbraw/zinc/64/64/98/1012646498.db2.gz PMHUNVYAKLDPRK-OAQYLSRUSA-N 1 0 412.509 3.838 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C1CCOCC1 ZINC000537220755 1012646880 /nfs/dbraw/zinc/64/68/80/1012646880.db2.gz PMHUNVYAKLDPRK-NRFANRHFSA-N 1 0 412.509 3.838 20 30 HHEDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537249648 1012696587 /nfs/dbraw/zinc/69/65/87/1012696587.db2.gz OAVZOOSVKVAQFE-NHCUHLMSSA-N 1 0 410.587 3.930 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](CO)c3ccc(Br)cc3)CC2)cc1 ZINC000537305959 1012763764 /nfs/dbraw/zinc/76/37/64/1012763764.db2.gz DBUKDZUWIZSIHQ-OAQYLSRUSA-N 1 0 414.347 3.608 20 30 HHEDRO COC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000524030294 1012779460 /nfs/dbraw/zinc/77/94/60/1012779460.db2.gz UYUVTYBTBFAJTE-UHFFFAOYSA-N 1 0 414.893 3.594 20 30 HHEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000537350996 1012817749 /nfs/dbraw/zinc/81/77/49/1012817749.db2.gz BWYJYADKNWOSRM-NSHDSACASA-N 1 0 407.146 3.885 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000537390725 1012870247 /nfs/dbraw/zinc/87/02/47/1012870247.db2.gz UYMAYCRBJISDOM-LAUBAEHRSA-N 1 0 421.944 3.544 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000537390729 1012870867 /nfs/dbraw/zinc/87/08/67/1012870867.db2.gz UYMAYCRBJISDOM-UWJYYQICSA-N 1 0 421.944 3.544 20 30 HHEDRO CC1(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552950829 1012937535 /nfs/dbraw/zinc/93/75/35/1012937535.db2.gz IQFDBCGWPVFXIN-IBGZPJMESA-N 1 0 414.981 3.951 20 30 HHEDRO CC1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553030757 1013006110 /nfs/dbraw/zinc/00/61/10/1013006110.db2.gz QIDOGFGVTUUIBY-GOSISDBHSA-N 1 0 414.981 3.762 20 30 HHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)cc1 ZINC000553062416 1013035847 /nfs/dbraw/zinc/03/58/47/1013035847.db2.gz RJQMYJOVTKVCFX-INIZCTEOSA-N 1 0 401.919 3.588 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@H](C)c2ccccc2)[n+]2ccccc2)c1 ZINC000729670014 1071785505 /nfs/dbraw/zinc/78/55/05/1071785505.db2.gz KCJQODDNYMQLLC-OAHLLOKOSA-O 1 0 409.487 3.643 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)c1nc(-c2ccc(CN3CCOCC3)cc2)no1 ZINC000904512929 1071784978 /nfs/dbraw/zinc/78/49/78/1071784978.db2.gz BZIAITWZHAZQKT-UHFFFAOYSA-N 1 0 404.470 3.755 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)N[C@H](C)CC)cc1 ZINC000729669599 1071785100 /nfs/dbraw/zinc/78/51/00/1071785100.db2.gz IATMGNBMIGWUDI-CQSZACIVSA-O 1 0 403.524 3.633 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(C3OCCO3)c2)no1 ZINC001211975878 1071829602 /nfs/dbraw/zinc/82/96/02/1071829602.db2.gz RZIXNZACJRRCSR-MOPGFXCFSA-N 1 0 401.507 3.860 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000729810120 1072125715 /nfs/dbraw/zinc/12/57/15/1072125715.db2.gz UOOBFIZFGGRHTO-IBGZPJMESA-N 1 0 405.523 3.881 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1C#N ZINC000760306327 1072235600 /nfs/dbraw/zinc/23/56/00/1072235600.db2.gz IQJXUUNYHKHJAZ-UHFFFAOYSA-N 1 0 404.518 3.710 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000570889476 1072403011 /nfs/dbraw/zinc/40/30/11/1072403011.db2.gz XWHBWKWKEJNRQT-ZTQAJYAQSA-N 1 0 401.576 3.963 20 30 HHEDRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168296165 1072451185 /nfs/dbraw/zinc/45/11/85/1072451185.db2.gz UKANXUNRNGIXCO-DVECYGJZSA-N 1 0 419.573 3.823 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)C2)c(F)c1 ZINC000586891896 1072474266 /nfs/dbraw/zinc/47/42/66/1072474266.db2.gz SLCXXUKDRZPHIF-QFIPXVFZSA-N 1 0 420.532 3.552 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC4(CCOCC4)C3)sc2C1 ZINC000571012890 1072546338 /nfs/dbraw/zinc/54/63/38/1072546338.db2.gz COWHJBBWJMZBFU-INIZCTEOSA-N 1 0 401.576 3.966 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571272593 1072595162 /nfs/dbraw/zinc/59/51/62/1072595162.db2.gz NTFPFKNLPPQMDI-GHTZIAJQSA-N 1 0 403.885 3.773 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OC ZINC000479394190 1072807668 /nfs/dbraw/zinc/80/76/68/1072807668.db2.gz NMURQHKPQZAWSW-SFHVURJKSA-N 1 0 403.544 3.911 20 30 HHEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)ccc1C#N ZINC000555127396 1073177979 /nfs/dbraw/zinc/17/79/79/1073177979.db2.gz WKHRGNXWQDFRJS-GOSISDBHSA-N 1 0 414.303 3.533 20 30 HHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130736 1073180953 /nfs/dbraw/zinc/18/09/53/1073180953.db2.gz VEDKGSQHCLFCIO-AZUAARDMSA-N 1 0 408.949 3.745 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000555263850 1073295897 /nfs/dbraw/zinc/29/58/97/1073295897.db2.gz KOFZZQKCNGKXAG-UHFFFAOYSA-N 1 0 422.621 3.824 20 30 HHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000555255318 1073303908 /nfs/dbraw/zinc/30/39/08/1073303908.db2.gz CYTHVRKJFBXJOO-MJGOQNOKSA-N 1 0 401.530 3.910 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2Cc2cccs2)c1 ZINC000555440693 1073480115 /nfs/dbraw/zinc/48/01/15/1073480115.db2.gz SMFZNYXHKRLPFR-UHFFFAOYSA-N 1 0 418.570 3.991 20 30 HHEDRO N#Cc1cccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000590041982 1073500386 /nfs/dbraw/zinc/50/03/86/1073500386.db2.gz KKFYVCDCCXHDLY-HSZRJFAPSA-N 1 0 411.509 3.655 20 30 HHEDRO C[NH+]1CCC(C#N)(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000555457697 1073518770 /nfs/dbraw/zinc/51/87/70/1073518770.db2.gz LOBMMCPEWDHDTO-UHFFFAOYSA-N 1 0 423.567 3.555 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000590097754 1073546006 /nfs/dbraw/zinc/54/60/06/1073546006.db2.gz UUHDBGSCTYQABO-NKKJXINNSA-N 1 0 402.542 3.655 20 30 HHEDRO N#Cc1c(F)ccc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1Cl ZINC000555508211 1073575132 /nfs/dbraw/zinc/57/51/32/1073575132.db2.gz SZMODPRBSKMRNZ-UHFFFAOYSA-N 1 0 400.885 3.788 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000590194855 1073643630 /nfs/dbraw/zinc/64/36/30/1073643630.db2.gz PWBPXTIHSYHJRP-QHCPKHFHSA-N 1 0 421.541 3.923 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555597046 1073662824 /nfs/dbraw/zinc/66/28/24/1073662824.db2.gz ADGDJXDKILBOHM-ZHRRBRCNSA-N 1 0 400.592 3.633 20 30 HHEDRO CC(C)c1ccc(CCNC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000590615045 1073941574 /nfs/dbraw/zinc/94/15/74/1073941574.db2.gz JGJKNVPGQPFPDQ-UHFFFAOYSA-N 1 0 418.585 3.548 20 30 HHEDRO CC(C)[C@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000590615037 1073942202 /nfs/dbraw/zinc/94/22/02/1073942202.db2.gz ICPPLBZBMHQIEL-VWLOTQADSA-N 1 0 422.548 3.719 20 30 HHEDRO c1ccc(CNC(NCCc2nnc3ccccn32)=[NH+]CC2(c3ccccc3)CC2)cc1 ZINC000899892589 1073951716 /nfs/dbraw/zinc/95/17/16/1073951716.db2.gz DADWAAPWWMHSLU-UHFFFAOYSA-N 1 0 424.552 3.739 20 30 HHEDRO N#Cc1ccc2nc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)ncc2c1 ZINC000573040914 1074070657 /nfs/dbraw/zinc/07/06/57/1074070657.db2.gz VWZDDAOOEOLCND-SFHVURJKSA-N 1 0 407.424 3.597 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000591415672 1074280663 /nfs/dbraw/zinc/28/06/63/1074280663.db2.gz FKNCKWBNHQFQKV-AZGAKELHSA-N 1 0 419.569 3.521 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccccc3)n2[C@H](C)CC)CC1 ZINC000592069255 1074687223 /nfs/dbraw/zinc/68/72/23/1074687223.db2.gz UCKJDVVROFDPHS-QGZVFWFLSA-N 1 0 413.591 3.775 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)CC1 ZINC000592075560 1074687848 /nfs/dbraw/zinc/68/78/48/1074687848.db2.gz LWJGIOSDUCTATF-UHFFFAOYSA-N 1 0 418.541 3.992 20 30 HHEDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000760936518 1074700082 /nfs/dbraw/zinc/70/00/82/1074700082.db2.gz LZFMPSMMQZTQEP-SJLPKXTDSA-N 1 0 420.513 3.667 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000592490212 1074769348 /nfs/dbraw/zinc/76/93/48/1074769348.db2.gz FJUCXIULGNOBPC-JOCHJYFZSA-N 1 0 424.614 3.797 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000592524167 1074771527 /nfs/dbraw/zinc/77/15/27/1074771527.db2.gz QEENKNGNWYZDNQ-GOSISDBHSA-N 1 0 416.324 3.866 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)CC1 ZINC000593827665 1075228715 /nfs/dbraw/zinc/22/87/15/1075228715.db2.gz MHCDEDHGLQSCPT-UHFFFAOYSA-N 1 0 409.868 3.629 20 30 HHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000574826623 1075383962 /nfs/dbraw/zinc/38/39/62/1075383962.db2.gz ITMURSXZPIMYDM-UHFFFAOYSA-N 1 0 408.550 3.550 20 30 HHEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N ZINC001545672257 1075695922 /nfs/dbraw/zinc/69/59/22/1075695922.db2.gz GSOXEOYEYINVCX-IRXDYDNUSA-N 1 0 402.974 3.848 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cnc2Cl)cc1 ZINC001164409809 718865764 /nfs/dbraw/zinc/86/57/64/718865764.db2.gz UIMBKSVRLSCRJW-VQIMIIECSA-N 1 0 418.875 3.633 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(C#N)c(Cl)cc3Cl)CC[C@@H]21 ZINC001164838728 720633600 /nfs/dbraw/zinc/63/36/00/720633600.db2.gz LFVLJIUDLNPKLX-VCBZYWHSSA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C#C[Si](C)(C)C)ccn3)CC[C@@H]21 ZINC001164835189 720638582 /nfs/dbraw/zinc/63/85/82/720638582.db2.gz AOGCATQFZWOTOB-VABKMULXSA-N 1 0 421.665 3.885 20 30 HHEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164880941 721177582 /nfs/dbraw/zinc/17/75/82/721177582.db2.gz XXYWYASVOJJIOJ-VQTJNVASSA-N 1 0 419.916 3.635 20 30 HHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164759426 721251053 /nfs/dbraw/zinc/25/10/53/721251053.db2.gz AEDHSTPTBNUPLZ-QZTJIDSGSA-N 1 0 420.948 3.760 20 30 HHEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc(Cl)n1 ZINC001164907173 721531603 /nfs/dbraw/zinc/53/16/03/721531603.db2.gz MQBGJNLQGYCREK-SJLPKXTDSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164906535 721562572 /nfs/dbraw/zinc/56/25/72/721562572.db2.gz JYNDKDJHUUSRSG-DZGCQCFKSA-N 1 0 407.276 3.741 20 30 HHEDRO N#Cc1c2c(cnc1N1CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C1)CCCC2 ZINC001164913824 721737548 /nfs/dbraw/zinc/73/75/48/721737548.db2.gz YIFXZZSYWWORNU-HSZRJFAPSA-N 1 0 423.511 3.965 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C#N)cc2Cl)CC1 ZINC001165021414 721838568 /nfs/dbraw/zinc/83/85/68/721838568.db2.gz MPMFZMYLNQZXSP-UHFFFAOYSA-N 1 0 400.910 3.725 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3c(C#N)c[nH]c3n2)CC1 ZINC001165023129 721841493 /nfs/dbraw/zinc/84/14/93/721841493.db2.gz XPHNHTYSOUMPFB-UHFFFAOYSA-N 1 0 405.502 3.553 20 30 HHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164967683 722078038 /nfs/dbraw/zinc/07/80/38/722078038.db2.gz IZSGUHIBESVQKG-GASCZTMLSA-N 1 0 400.885 3.507 20 30 HHEDRO N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C(F)(F)F ZINC000301157184 970778493 /nfs/dbraw/zinc/77/84/93/970778493.db2.gz CFTQXJRBRMHCFI-SFHVURJKSA-N 1 0 416.447 3.886 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301875037 971095121 /nfs/dbraw/zinc/09/51/21/971095121.db2.gz MBRIVARLUAXRNX-QZTJIDSGSA-N 1 0 424.451 3.755 20 30 HHEDRO Cc1ccc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)c(Cl)c1 ZINC000303020576 971459755 /nfs/dbraw/zinc/45/97/55/971459755.db2.gz UFQOECDUHYZPGH-UHFFFAOYSA-N 1 0 414.937 3.910 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cc(Br)cs1 ZINC000303276628 971593480 /nfs/dbraw/zinc/59/34/80/971593480.db2.gz HPEPFRHHUYOJMP-UHFFFAOYSA-N 1 0 420.376 3.905 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CC1 ZINC000303333881 971637751 /nfs/dbraw/zinc/63/77/51/971637751.db2.gz XJTGZSRJPWEUBJ-UHFFFAOYSA-N 1 0 411.506 3.515 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)CC1 ZINC000303348303 971648248 /nfs/dbraw/zinc/64/82/48/971648248.db2.gz FISZVBIJXHIAQD-XMMPIXPASA-N 1 0 415.537 3.948 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2)C1 ZINC000524298122 1013109386 /nfs/dbraw/zinc/10/93/86/1013109386.db2.gz RSUHBNHUPPSAOE-KRWDZBQOSA-N 1 0 414.513 3.810 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000303686561 971962113 /nfs/dbraw/zinc/96/21/13/971962113.db2.gz UAUWQFGNHQXPCW-UHFFFAOYSA-N 1 0 413.905 3.845 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1Cl ZINC000303789670 972029123 /nfs/dbraw/zinc/02/91/23/972029123.db2.gz VMKLPGXJNONDQS-NSHDSACASA-N 1 0 400.331 3.562 20 30 HHEDRO COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)N2CCCC2)c1 ZINC000303780742 972023799 /nfs/dbraw/zinc/02/37/99/972023799.db2.gz LOKYAUCZKKDNCC-IBGZPJMESA-N 1 0 402.926 3.921 20 30 HHEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)N2CCCCC2)cc1 ZINC000303792111 972031034 /nfs/dbraw/zinc/03/10/34/972031034.db2.gz YCKJTFKVEINSON-OAQYLSRUSA-N 1 0 412.534 3.666 20 30 HHEDRO C=CC[N@H+](Cc1cnc(-c2ccccn2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629722 1013182888 /nfs/dbraw/zinc/18/28/88/1013182888.db2.gz YPRLGWPKENSWOU-MRXNPFEDSA-N 1 0 403.515 3.930 20 30 HHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000303863809 972405823 /nfs/dbraw/zinc/40/58/23/972405823.db2.gz ANYGYOYKSDCLBG-QGZVFWFLSA-N 1 0 414.575 3.911 20 30 HHEDRO [NH2+]=C(NCCc1cc(Br)ccc1F)Nc1ccc2c(c1)OCCCO2 ZINC000303875855 972417532 /nfs/dbraw/zinc/41/75/32/972417532.db2.gz HUDZQJHSXVHPIF-UHFFFAOYSA-N 1 0 408.271 3.719 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000303884246 972424703 /nfs/dbraw/zinc/42/47/03/972424703.db2.gz JBSPTEGNKKVPMX-OAQYLSRUSA-N 1 0 416.953 3.927 20 30 HHEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000553421764 1013341830 /nfs/dbraw/zinc/34/18/30/1013341830.db2.gz BLWPDHKIHZIOJU-AWEZNQCLSA-N 1 0 416.319 3.800 20 30 HHEDRO C=CC[C@@H]1N(C(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CCCC1(C)C ZINC000553451771 1013364488 /nfs/dbraw/zinc/36/44/88/1013364488.db2.gz WAEBNGQYKLYICC-KNQAVFIVSA-N 1 0 411.590 3.922 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000542420231 1013371747 /nfs/dbraw/zinc/37/17/47/1013371747.db2.gz YPDUUFCWGCEKMC-GHTZIAJQSA-N 1 0 422.529 3.758 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OCCOC)[NH+](C)C)cc1 ZINC000542422786 1013375254 /nfs/dbraw/zinc/37/52/54/1013375254.db2.gz SXEJDYAZEAHBKN-OAQYLSRUSA-N 1 0 410.518 3.570 20 30 HHEDRO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](CCC(=O)N(C)CCC#N)C3)cc1 ZINC000537852028 1013420138 /nfs/dbraw/zinc/42/01/38/1013420138.db2.gz UYVPAPFRRYBPRN-UHFFFAOYSA-N 1 0 419.529 3.759 20 30 HHEDRO Cc1sc2nc([C@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)[nH]c(=O)c2c1C ZINC000021405058 963460953 /nfs/dbraw/zinc/46/09/53/963460953.db2.gz IQUHUPFXIIKZEB-INIZCTEOSA-N 1 0 421.570 3.742 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(Br)cc2)C(=S)NC2CC2)cc1 ZINC000022688189 963696979 /nfs/dbraw/zinc/69/69/79/963696979.db2.gz SJAVNMMWKIZTIB-UHFFFAOYSA-O 1 0 404.353 3.990 20 30 HHEDRO Cc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc3c(c2)CCCC3)s1 ZINC000022692161 963698677 /nfs/dbraw/zinc/69/86/77/963698677.db2.gz JSTSKUYLJSSEAB-GOSISDBHSA-O 1 0 415.604 3.930 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(C)n(C)c2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691442 963698693 /nfs/dbraw/zinc/69/86/93/963698693.db2.gz IRDRPICKBLSOSW-IBGZPJMESA-O 1 0 414.595 3.589 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691377 963698863 /nfs/dbraw/zinc/69/88/63/963698863.db2.gz VKLGHHLQVKCKKD-INIZCTEOSA-O 1 0 405.490 3.522 20 30 HHEDRO COc1ccc(CNC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2cccc(C)c2)cc1 ZINC000023603013 963858623 /nfs/dbraw/zinc/85/86/23/963858623.db2.gz SLHBPZQEYNOBCV-UHFFFAOYSA-O 1 0 408.547 3.965 20 30 HHEDRO COCCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000023604883 963859490 /nfs/dbraw/zinc/85/94/90/963859490.db2.gz JLHIIJZPCYUEIT-UHFFFAOYSA-O 1 0 422.574 3.685 20 30 HHEDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000542555316 1013497399 /nfs/dbraw/zinc/49/73/99/1013497399.db2.gz CMHVZWKHOSNKSS-QGZVFWFLSA-N 1 0 401.532 3.960 20 30 HHEDRO COC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000026209562 964485712 /nfs/dbraw/zinc/48/57/12/964485712.db2.gz XCYMCHRXGTUTMI-UHFFFAOYSA-N 1 0 411.527 3.746 20 30 HHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1ccccc1 ZINC000537934995 1013521720 /nfs/dbraw/zinc/52/17/20/1013521720.db2.gz PDIQVDBLCVNVQR-UHFFFAOYSA-N 1 0 402.502 3.648 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000052485682 964915989 /nfs/dbraw/zinc/91/59/89/964915989.db2.gz OFQUFGKQXZIXQV-OALUTQOASA-N 1 0 419.639 3.764 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000052485680 964916272 /nfs/dbraw/zinc/91/62/72/964916272.db2.gz OFQUFGKQXZIXQV-MOPGFXCFSA-N 1 0 419.639 3.764 20 30 HHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nc(C)cc(C)c3C#N)CC2)cc1 ZINC000053288635 965121182 /nfs/dbraw/zinc/12/11/82/965121182.db2.gz UTYVTLRRCMQOFG-UHFFFAOYSA-N 1 0 408.571 3.705 20 30 HHEDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000057044719 965262837 /nfs/dbraw/zinc/26/28/37/965262837.db2.gz XLYSYYAYRSRKRU-JOCHJYFZSA-N 1 0 405.542 3.967 20 30 HHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000537983294 1013557897 /nfs/dbraw/zinc/55/78/97/1013557897.db2.gz GHQFOUZYEDTFHW-AWEZNQCLSA-N 1 0 402.292 3.706 20 30 HHEDRO N#CC1(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1 ZINC000029167067 965293396 /nfs/dbraw/zinc/29/33/96/965293396.db2.gz BIRMCBKYZOYMEQ-UHFFFAOYSA-N 1 0 422.495 3.808 20 30 HHEDRO Cc1cccc(OC[C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054613357 965582898 /nfs/dbraw/zinc/58/28/98/965582898.db2.gz DXLQKVGXSRPJLU-HXUWFJFHSA-N 1 0 406.530 3.552 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 ZINC000054808503 965654662 /nfs/dbraw/zinc/65/46/62/965654662.db2.gz XEEXYKRJKCWLHW-UHFFFAOYSA-N 1 0 416.569 3.892 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1Br ZINC000030537447 965721876 /nfs/dbraw/zinc/72/18/76/965721876.db2.gz JQYKVLJUWYABQC-RHSMWYFYSA-N 1 0 419.319 3.614 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cc(C#N)ccc3C)CC2)c1 ZINC000058452741 965738674 /nfs/dbraw/zinc/73/86/74/965738674.db2.gz KCOGJNSPRVQQML-UHFFFAOYSA-N 1 0 405.546 3.899 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000553769426 1013601530 /nfs/dbraw/zinc/60/15/30/1013601530.db2.gz YIDRENRSDHGTGH-OAQYLSRUSA-N 1 0 419.569 3.586 20 30 HHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)C1 ZINC000553784906 1013613038 /nfs/dbraw/zinc/61/30/38/1013613038.db2.gz RSJOPAOEVZTRNV-XLNZFTOWSA-N 1 0 403.526 3.940 20 30 HHEDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1 ZINC000031461292 966025440 /nfs/dbraw/zinc/02/54/40/966025440.db2.gz YJGVZRJRLNOTGC-UHFFFAOYSA-N 1 0 411.505 3.630 20 30 HHEDRO NC(=NOCC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(C[NH+]2CCCCC2)c1 ZINC000060112981 966065869 /nfs/dbraw/zinc/06/58/69/966065869.db2.gz GGSUFPMWCNELQN-HSZRJFAPSA-N 1 0 420.557 3.503 20 30 HHEDRO C=CCOc1ccc(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000032066206 966186347 /nfs/dbraw/zinc/18/63/47/966186347.db2.gz RVUXGNQYFYBNEW-UHFFFAOYSA-N 1 0 407.558 3.892 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000056170881 966245620 /nfs/dbraw/zinc/24/56/20/966245620.db2.gz OBVJPUXOQAZSQG-LJQANCHMSA-N 1 0 400.567 3.726 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)ccc1OC ZINC000060949838 966334234 /nfs/dbraw/zinc/33/42/34/966334234.db2.gz JNQNRFZSLNIJBE-UHFFFAOYSA-N 1 0 409.935 3.867 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000062046126 966605823 /nfs/dbraw/zinc/60/58/23/966605823.db2.gz DGTKCQDTRJENFJ-UHFFFAOYSA-N 1 0 424.932 3.698 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000062047713 966606774 /nfs/dbraw/zinc/60/67/74/966606774.db2.gz LTTVXABIWUCCAO-MRXNPFEDSA-N 1 0 424.932 3.698 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063320313 966816559 /nfs/dbraw/zinc/81/65/59/966816559.db2.gz BUHVRLZKOVBDCS-UHFFFAOYSA-N 1 0 408.502 3.957 20 30 HHEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643695 966819489 /nfs/dbraw/zinc/81/94/89/966819489.db2.gz SYAAFSIRXFJCHV-NHCUHLMSSA-N 1 0 404.558 3.640 20 30 HHEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1Cl ZINC000063680156 966926366 /nfs/dbraw/zinc/92/63/66/966926366.db2.gz CMAKFWWOUGXGIS-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000063819897 966968872 /nfs/dbraw/zinc/96/88/72/966968872.db2.gz GZTCFXTWXPSFKQ-UHFFFAOYSA-N 1 0 407.392 3.692 20 30 HHEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1OCCCC#N ZINC000064614155 967249898 /nfs/dbraw/zinc/24/98/98/967249898.db2.gz BVOWOZNRTKRASM-UHFFFAOYSA-N 1 0 413.493 3.643 20 30 HHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553941613 1013712532 /nfs/dbraw/zinc/71/25/32/1013712532.db2.gz TZJQFFRLQBXTRR-IBGZPJMESA-N 1 0 402.970 3.809 20 30 HHEDRO COc1ccc([C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000045317711 967420208 /nfs/dbraw/zinc/42/02/08/967420208.db2.gz XFXKDWGJKLQDEO-HSZRJFAPSA-N 1 0 406.530 3.791 20 30 HHEDRO N#Cc1cccnc1N1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000065448550 967471583 /nfs/dbraw/zinc/47/15/83/967471583.db2.gz BZKIAKAJPORBEP-UHFFFAOYSA-N 1 0 404.436 3.953 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000045787384 967552599 /nfs/dbraw/zinc/55/25/99/967552599.db2.gz TVNLKKACPYXKFK-OALUTQOASA-N 1 0 406.530 3.509 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000538188176 1013746152 /nfs/dbraw/zinc/74/61/52/1013746152.db2.gz MICAQLAUJHHLKD-LJQANCHMSA-N 1 0 417.513 3.868 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N(C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000046867928 967996952 /nfs/dbraw/zinc/99/69/52/967996952.db2.gz XBVSWFCOKDQKMY-UHFFFAOYSA-N 1 0 419.573 3.611 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1C#N ZINC000047405590 968178331 /nfs/dbraw/zinc/17/83/31/968178331.db2.gz OTNNYILWMPPLHO-QGZVFWFLSA-N 1 0 410.493 3.544 20 30 HHEDRO CCOc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000047581841 968246092 /nfs/dbraw/zinc/24/60/92/968246092.db2.gz TXVISTRENHNKGQ-UHFFFAOYSA-N 1 0 408.502 3.705 20 30 HHEDRO CCC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000047741252 968293678 /nfs/dbraw/zinc/29/36/78/968293678.db2.gz ZXEMEIQOFKOAFB-UHFFFAOYSA-N 1 0 408.521 3.648 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047783208 968311431 /nfs/dbraw/zinc/31/14/31/968311431.db2.gz QRRFMYZLPIESNT-AWEZNQCLSA-N 1 0 416.576 3.698 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000048092362 968418724 /nfs/dbraw/zinc/41/87/24/968418724.db2.gz FQMRGZYCRZYKLR-OAQYLSRUSA-N 1 0 409.555 3.753 20 30 HHEDRO CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048258348 968505358 /nfs/dbraw/zinc/50/53/58/968505358.db2.gz JUAHMWGNJFZKBB-UHFFFAOYSA-N 1 0 419.529 3.955 20 30 HHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(OC)c1OC ZINC000065930860 968721756 /nfs/dbraw/zinc/72/17/56/968721756.db2.gz RGBCMRZECJXOAS-UHFFFAOYSA-N 1 0 407.514 3.508 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(N(C)c3ccccc3)CC2)c(OC)c1 ZINC000065955999 968736260 /nfs/dbraw/zinc/73/62/60/968736260.db2.gz CYPJCXFLOFABBV-HSZRJFAPSA-N 1 0 410.558 3.764 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964405 968739191 /nfs/dbraw/zinc/73/91/91/968739191.db2.gz RPYBJRYUPRRUGX-GOSISDBHSA-N 1 0 417.619 3.812 20 30 HHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000097059753 969086648 /nfs/dbraw/zinc/08/66/48/969086648.db2.gz MMOBNYQNOZNWLD-IBGZPJMESA-N 1 0 416.529 3.553 20 30 HHEDRO C[C@@H](SCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000097404354 969133202 /nfs/dbraw/zinc/13/32/02/969133202.db2.gz DQQLIDHTBFFLMI-QGZVFWFLSA-N 1 0 421.570 3.819 20 30 HHEDRO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000097571278 969164838 /nfs/dbraw/zinc/16/48/38/969164838.db2.gz LTNIRQHHRZEYBC-RBUKOAKNSA-N 1 0 420.557 3.676 20 30 HHEDRO Cc1ccc(NC(=O)[C@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC000097571480 969166005 /nfs/dbraw/zinc/16/60/05/969166005.db2.gz KYZNVLXBWPCECG-KRWDZBQOSA-N 1 0 412.509 3.784 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccccc1Cl ZINC000105278411 969228402 /nfs/dbraw/zinc/22/84/02/969228402.db2.gz KUNQOHWUMUHJOC-IBGZPJMESA-N 1 0 415.921 3.798 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000107578892 969317096 /nfs/dbraw/zinc/31/70/96/969317096.db2.gz YIBSREAAEPBXIQ-UHFFFAOYSA-N 1 0 407.514 3.507 20 30 HHEDRO C=CCc1cc(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)cc(OC)c1OC ZINC000107592509 969318399 /nfs/dbraw/zinc/31/83/99/969318399.db2.gz KLFFRRASVCISBI-UHFFFAOYSA-N 1 0 423.557 3.822 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1C#N ZINC000109358467 969505893 /nfs/dbraw/zinc/50/58/93/969505893.db2.gz WTKPBLIKASNEET-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000109987274 969605955 /nfs/dbraw/zinc/60/59/55/969605955.db2.gz DYWJSTSEAFSDQD-UHFFFAOYSA-N 1 0 414.303 3.920 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1C#N ZINC000554280356 1013892011 /nfs/dbraw/zinc/89/20/11/1013892011.db2.gz IHVDHORNSMDWMI-XMSQKQJNSA-N 1 0 423.536 3.602 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C[C@@H](C)C#N ZINC000110984521 969754180 /nfs/dbraw/zinc/75/41/80/969754180.db2.gz YXSLISARIIUDJJ-KRWDZBQOSA-N 1 0 408.502 3.758 20 30 HHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)CC1 ZINC000111037454 969764575 /nfs/dbraw/zinc/76/45/75/969764575.db2.gz ZWGKRMYPZVOMPB-QFIPXVFZSA-N 1 0 424.589 3.684 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040534 969765181 /nfs/dbraw/zinc/76/51/81/969765181.db2.gz RYARRNGSQUJUEM-MRXNPFEDSA-N 1 0 405.477 3.979 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000111200806 969801109 /nfs/dbraw/zinc/80/11/09/969801109.db2.gz JFTMYZLFCIRYRN-BGYRXZFFSA-N 1 0 412.578 3.586 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2)cc1 ZINC000112681267 969824317 /nfs/dbraw/zinc/82/43/17/969824317.db2.gz FSIINMXNUFWQDT-HXUWFJFHSA-N 1 0 408.502 3.709 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000112681539 969824472 /nfs/dbraw/zinc/82/44/72/969824472.db2.gz NUANDCQRURTUSS-UHFFFAOYSA-N 1 0 421.545 3.840 20 30 HHEDRO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](O)COc4ccc(C#N)cc4)CC3)c2c1 ZINC000142113617 970141580 /nfs/dbraw/zinc/14/15/80/970141580.db2.gz ZZRWZFRYCORWMV-IBGZPJMESA-N 1 0 405.498 3.667 20 30 HHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000236900473 970187384 /nfs/dbraw/zinc/18/73/84/970187384.db2.gz QKZDWKVJYUVHGD-LJQANCHMSA-N 1 0 404.470 3.819 20 30 HHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 ZINC000237206207 970241633 /nfs/dbraw/zinc/24/16/33/970241633.db2.gz BFTPELPITMLNEV-UHFFFAOYSA-N 1 0 413.525 3.998 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc(OC)c1OC ZINC000237251391 970248483 /nfs/dbraw/zinc/24/84/83/970248483.db2.gz BJAZFGACEZBMMW-UHFFFAOYSA-N 1 0 400.494 3.698 20 30 HHEDRO COc1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1OCCCC#N ZINC000237362264 970269542 /nfs/dbraw/zinc/26/95/42/970269542.db2.gz YBTAKOIJEYDKCQ-UHFFFAOYSA-N 1 0 401.551 3.502 20 30 HHEDRO COc1ccc(CNc2ccccc2C[NH+]2CCC(O)CC2)cc1OCCCC#N ZINC000237379723 970274515 /nfs/dbraw/zinc/27/45/15/970274515.db2.gz DNSGGAPFZRBWRW-UHFFFAOYSA-N 1 0 409.530 3.947 20 30 HHEDRO C#CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000237432909 970285310 /nfs/dbraw/zinc/28/53/10/970285310.db2.gz MNPBHZYOBZACSW-UHFFFAOYSA-N 1 0 422.525 3.500 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237501415 970302675 /nfs/dbraw/zinc/30/26/75/970302675.db2.gz JMSXNZZERCRPBF-GOSISDBHSA-N 1 0 410.537 3.987 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000146831240 970310339 /nfs/dbraw/zinc/31/03/39/970310339.db2.gz KAOIZAQQIFMJTM-UHFFFAOYSA-N 1 0 406.530 3.636 20 30 HHEDRO N#CC1(c2ccccn2)CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000554564685 1013978459 /nfs/dbraw/zinc/97/84/59/1013978459.db2.gz PBJILSVPIHLIQP-UHFFFAOYSA-N 1 0 404.283 3.919 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)c3c(F)cccc3F)c2)c1 ZINC000237765741 970360816 /nfs/dbraw/zinc/36/08/16/970360816.db2.gz JKARWJQKDRJXFA-UHFFFAOYSA-N 1 0 421.447 3.935 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554609266 1013988210 /nfs/dbraw/zinc/98/82/10/1013988210.db2.gz WVEMDPKGXWUVAK-UHFFFAOYSA-N 1 0 424.593 3.890 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCNC(=O)c3cccc(O)c3)c2)c1 ZINC000237979214 970410585 /nfs/dbraw/zinc/41/05/85/970410585.db2.gz AMKAGSFKZBAYSB-UHFFFAOYSA-N 1 0 415.493 3.753 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@H+](Cc3ccccc3)CC1)CCC2 ZINC000164372215 970446992 /nfs/dbraw/zinc/44/69/92/970446992.db2.gz FKHWISOLXKVXAR-UHFFFAOYSA-N 1 0 408.571 3.645 20 30 HHEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCCc2ccccc2)cc1 ZINC000185576402 970493457 /nfs/dbraw/zinc/49/34/57/970493457.db2.gz SCRKQQHGUFHAJT-UHFFFAOYSA-O 1 0 400.527 3.925 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)[NH+](C)C)cc1 ZINC000252002607 970552216 /nfs/dbraw/zinc/55/22/16/970552216.db2.gz NDSIAJAKQZYBNE-NRFANRHFSA-N 1 0 410.587 3.952 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000195613302 970556306 /nfs/dbraw/zinc/55/63/06/970556306.db2.gz HWRWHTFPWBXXMP-UHFFFAOYSA-N 1 0 405.502 3.813 20 30 HHEDRO C[C@H](NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000254928376 970582579 /nfs/dbraw/zinc/58/25/79/970582579.db2.gz YDWFWEBXDJBSNK-IBGZPJMESA-N 1 0 417.509 3.904 20 30 HHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000554692196 1014014972 /nfs/dbraw/zinc/01/49/72/1014014972.db2.gz QBUQGCIAQLBAHL-UHFFFAOYSA-N 1 0 424.520 3.520 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255958983 970612487 /nfs/dbraw/zinc/61/24/87/970612487.db2.gz JPPRQLSPKDZEHF-QUCCMNQESA-N 1 0 404.297 3.784 20 30 HHEDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000554705405 1014022069 /nfs/dbraw/zinc/02/20/69/1014022069.db2.gz HKWBBMNRSKWCPS-UHFFFAOYSA-N 1 0 417.497 3.854 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)CCc2ccccc2)sc2c1CCCCC2 ZINC000261482916 970716270 /nfs/dbraw/zinc/71/62/70/970716270.db2.gz XGTGNQHTHWRXGO-UHFFFAOYSA-N 1 0 411.571 3.754 20 30 HHEDRO COc1cccc(NC(=[NH2+])NCCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000303972682 972559314 /nfs/dbraw/zinc/55/93/14/972559314.db2.gz GBFOZSWERIQFJD-UHFFFAOYSA-N 1 0 405.296 3.522 20 30 HHEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCNC(=O)c2ccc(Br)cc2)c1 ZINC000303977691 972563440 /nfs/dbraw/zinc/56/34/40/972563440.db2.gz LMVIWXQYMHXFHB-UHFFFAOYSA-N 1 0 403.324 3.613 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000303990454 972570637 /nfs/dbraw/zinc/57/06/37/972570637.db2.gz YQZJQNVKNVTHLS-UHFFFAOYSA-N 1 0 414.575 3.911 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCCC1 ZINC000304513775 972602523 /nfs/dbraw/zinc/60/25/23/972602523.db2.gz YADFHGIUXZJVRV-LEWJYISDSA-N 1 0 408.546 3.650 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1OC(F)F ZINC000304505268 972602849 /nfs/dbraw/zinc/60/28/49/972602849.db2.gz UEWDWZYKUSGOBW-UHFFFAOYSA-N 1 0 419.350 3.800 20 30 HHEDRO COc1ccc([C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)N2CCCCC2)cc1 ZINC000304515191 972602982 /nfs/dbraw/zinc/60/29/82/972602982.db2.gz YOYZGJNKRVAZRU-FGZHOGPDSA-N 1 0 408.546 3.650 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000304758138 972605341 /nfs/dbraw/zinc/60/53/41/972605341.db2.gz POJOTOLZWJLSRT-OAQYLSRUSA-N 1 0 408.546 3.538 20 30 HHEDRO CN(C)c1cc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c2ccccc2n1 ZINC000304776342 972606889 /nfs/dbraw/zinc/60/68/89/972606889.db2.gz CZSICKIEVSFOAA-UHFFFAOYSA-N 1 0 417.435 3.804 20 30 HHEDRO CCOc1ccc([C@@H](C)NC(=O)CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1 ZINC000304931119 972608479 /nfs/dbraw/zinc/60/84/79/972608479.db2.gz CIRGTOUFANIUGX-QGZVFWFLSA-N 1 0 408.546 3.958 20 30 HHEDRO CC(C)(C)OC(=O)N[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000305734005 972614611 /nfs/dbraw/zinc/61/46/11/972614611.db2.gz LEVYSZOUHDICIP-ZDUSSCGKSA-N 1 0 402.417 3.615 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000410359349 973950249 /nfs/dbraw/zinc/95/02/49/973950249.db2.gz LLDOECLSBGLBKP-UHFFFAOYSA-N 1 0 405.546 3.557 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000425968857 974073427 /nfs/dbraw/zinc/07/34/27/974073427.db2.gz VVAPESWEPXUYEW-UHFFFAOYSA-N 1 0 400.482 3.971 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)cc1 ZINC000426109971 974232589 /nfs/dbraw/zinc/23/25/89/974232589.db2.gz DHTCVAAJBJIUAV-XZOQPEGZSA-N 1 0 420.513 3.850 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000426158744 974272813 /nfs/dbraw/zinc/27/28/13/974272813.db2.gz DYXNAGRLNRLTNP-IYBDPMFKSA-N 1 0 404.942 3.955 20 30 HHEDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000426539136 974515712 /nfs/dbraw/zinc/51/57/12/974515712.db2.gz LPBXXCQDPHTYRE-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674690 974594506 /nfs/dbraw/zinc/59/45/06/974594506.db2.gz LRKPADLNVGFPLX-ROUUACIJSA-N 1 0 420.513 3.526 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)CC1 ZINC000426703178 974606220 /nfs/dbraw/zinc/60/62/20/974606220.db2.gz KEHBRYKLKGMWLS-UHFFFAOYSA-N 1 0 413.468 3.727 20 30 HHEDRO C=CCOc1ccc(C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000427298529 975034544 /nfs/dbraw/zinc/03/45/44/975034544.db2.gz DCKDURKEOQTMGH-RTBURBONSA-N 1 0 416.562 3.612 20 30 HHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000427486053 975142572 /nfs/dbraw/zinc/14/25/72/975142572.db2.gz GVAVZJDNXPPXAN-UHFFFAOYSA-N 1 0 416.529 3.693 20 30 HHEDRO N#Cc1cccc(COc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)c2)c1 ZINC000427902144 975340671 /nfs/dbraw/zinc/34/06/71/975340671.db2.gz MWDQLOAYCLIWEO-QHCPKHFHSA-N 1 0 405.498 3.719 20 30 HHEDRO C[N@H+](CCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)Cc1ccccc1 ZINC000428303885 975613598 /nfs/dbraw/zinc/61/35/98/975613598.db2.gz VBBDDVRPLGMREF-UHFFFAOYSA-N 1 0 401.514 3.716 20 30 HHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428681764 975974254 /nfs/dbraw/zinc/97/42/54/975974254.db2.gz HDTYFTSHHCQUBR-IBGZPJMESA-N 1 0 411.575 3.854 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1Cl ZINC000428992282 976272515 /nfs/dbraw/zinc/27/25/15/976272515.db2.gz JZUFIKLGFQIGGM-DJPFJPOOSA-N 1 0 402.970 3.557 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C#N ZINC000429014322 976295465 /nfs/dbraw/zinc/29/54/65/976295465.db2.gz YDYBZDPDLDFMDZ-DRSNIGMVSA-N 1 0 411.594 3.692 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000429046512 976332941 /nfs/dbraw/zinc/33/29/41/976332941.db2.gz NOWCJMUBEPBVGJ-HXUWFJFHSA-N 1 0 407.518 3.870 20 30 HHEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)ccc1Br ZINC000429259710 976547671 /nfs/dbraw/zinc/54/76/71/976547671.db2.gz UYTFTDYHVBBQGG-UHFFFAOYSA-N 1 0 414.347 3.856 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnn1Cc1cccc2ccccc21 ZINC000429731377 977020525 /nfs/dbraw/zinc/02/05/25/977020525.db2.gz KFRYDJWMXQOIIP-UHFFFAOYSA-N 1 0 404.518 3.784 20 30 HHEDRO COc1ccccc1-n1nccc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000430013737 977271157 /nfs/dbraw/zinc/27/11/57/977271157.db2.gz QXNCXRFJJVBGDX-UHFFFAOYSA-N 1 0 403.486 3.627 20 30 HHEDRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430170635 977366079 /nfs/dbraw/zinc/36/60/79/977366079.db2.gz QWYYXGRYBWLSSX-JOCHJYFZSA-N 1 0 416.481 3.589 20 30 HHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430171723 977367703 /nfs/dbraw/zinc/36/77/03/977367703.db2.gz OYRQFIRBQJOQNG-GOSISDBHSA-N 1 0 409.440 3.687 20 30 HHEDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OCc1cccnc1 ZINC000430174052 977369065 /nfs/dbraw/zinc/36/90/65/977369065.db2.gz UYDNEEWRTSEMQS-NRFANRHFSA-N 1 0 416.481 3.589 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccncc1 ZINC000430175237 977370058 /nfs/dbraw/zinc/37/00/58/977370058.db2.gz BVCPQRFBDLEJLU-NRFANRHFSA-N 1 0 416.481 3.589 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)nc1 ZINC000430186262 977377829 /nfs/dbraw/zinc/37/78/29/977377829.db2.gz MMIJXQWJAZXJEY-QHCPKHFHSA-N 1 0 422.492 3.854 20 30 HHEDRO Cc1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)n(C2CC[NH+](C)CC2)n1 ZINC000430490472 977595690 /nfs/dbraw/zinc/59/56/90/977595690.db2.gz PMUAZIANRLKRQF-UHFFFAOYSA-N 1 0 419.485 3.754 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)C[C@H](C)O1 ZINC000430738584 977718926 /nfs/dbraw/zinc/71/89/26/977718926.db2.gz ZQMVAZSYDPCXAS-HDICACEKSA-N 1 0 409.555 3.841 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431316532 978201518 /nfs/dbraw/zinc/20/15/18/978201518.db2.gz WXHANBGCXWWICY-UHFFFAOYSA-N 1 0 405.517 3.875 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431704487 978447509 /nfs/dbraw/zinc/44/75/09/978447509.db2.gz XXUOHYQIOBETKJ-PTUXOGIPSA-N 1 0 403.526 3.711 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1nc(C(F)(F)F)ccc1C#N ZINC000431837251 978545715 /nfs/dbraw/zinc/54/57/15/978545715.db2.gz VZDWPDPMSPSXOY-UHFFFAOYSA-N 1 0 409.500 3.605 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cscc3Br)CC2)cc1 ZINC000432068724 978667626 /nfs/dbraw/zinc/66/76/26/978667626.db2.gz XVIDUOWBTGXJFH-UHFFFAOYSA-N 1 0 418.360 3.659 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000432472184 978832934 /nfs/dbraw/zinc/83/29/34/978832934.db2.gz DCZYXLDMVSNPSS-UHFFFAOYSA-N 1 0 410.562 3.782 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000432520477 978861909 /nfs/dbraw/zinc/86/19/09/978861909.db2.gz RGLALKKCDAJJGX-UHFFFAOYSA-N 1 0 422.554 3.855 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000432525039 978864519 /nfs/dbraw/zinc/86/45/19/978864519.db2.gz TXSWCNXLQMXTBD-AFARHQOCSA-N 1 0 406.505 3.861 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCCCC1 ZINC000432665820 978929293 /nfs/dbraw/zinc/92/92/93/978929293.db2.gz CSAYTNJROWGKDQ-JOCHJYFZSA-N 1 0 406.530 3.590 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000432719027 978947200 /nfs/dbraw/zinc/94/72/00/978947200.db2.gz MACHUSMPQASIQO-CQSZACIVSA-N 1 0 410.440 3.837 20 30 HHEDRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH2+][C@H](CCCC#N)c3ccccc3)CC2)C1 ZINC000433016807 979042953 /nfs/dbraw/zinc/04/29/53/979042953.db2.gz UTLXIVKVZYLVCJ-NFBKMPQASA-N 1 0 424.589 3.508 20 30 HHEDRO C[NH+](C)[C@@H]1CCOc2c(NCc3cn(CCC#N)nc3-c3ccncc3)cccc21 ZINC000433173472 979117594 /nfs/dbraw/zinc/11/75/94/979117594.db2.gz HZEZCJDKHCEBEJ-OAQYLSRUSA-N 1 0 402.502 3.856 20 30 HHEDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433216993 979150570 /nfs/dbraw/zinc/15/05/70/979150570.db2.gz AYAMWLDDGUDCOP-LEWJYISDSA-N 1 0 404.470 3.974 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N(C)CC(C)(C)C#N)cc1Cl ZINC000433252133 979184102 /nfs/dbraw/zinc/18/41/02/979184102.db2.gz LVGUNYFIJOHQNU-UHFFFAOYSA-N 1 0 421.973 3.815 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2sccc2Br)c(-c2ccncc2)n1 ZINC000433307308 979226776 /nfs/dbraw/zinc/22/67/76/979226776.db2.gz ULSBRNBPVLXVQU-UHFFFAOYSA-N 1 0 402.321 3.973 20 30 HHEDRO CN(C)c1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c2ccccc2n1 ZINC000433322687 979236010 /nfs/dbraw/zinc/23/60/10/979236010.db2.gz YRKRWXHAUHZNLZ-UHFFFAOYSA-N 1 0 411.513 3.763 20 30 HHEDRO Cc1cc(C)c(NC(=O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(C)c1 ZINC000433326785 979239119 /nfs/dbraw/zinc/23/91/19/979239119.db2.gz PHHJEFOWNDPKIL-UHFFFAOYSA-N 1 0 402.502 3.512 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccncc2)n1 ZINC000433332229 979242530 /nfs/dbraw/zinc/24/25/30/979242530.db2.gz SYWAGHGWPUTQQZ-GOSISDBHSA-N 1 0 408.456 3.505 20 30 HHEDRO CN(c1ccc(OCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000433389075 979270417 /nfs/dbraw/zinc/27/04/17/979270417.db2.gz KWJJLPULTQKHSP-UHFFFAOYSA-N 1 0 419.934 3.511 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCO1 ZINC000433519329 979354205 /nfs/dbraw/zinc/35/42/05/979354205.db2.gz KUOIKPJYGZCMED-GOSISDBHSA-N 1 0 408.502 3.973 20 30 HHEDRO CCCOc1cccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000433798985 979582942 /nfs/dbraw/zinc/58/29/42/979582942.db2.gz NDAPMWLSTFEGFY-UHFFFAOYSA-N 1 0 420.557 3.807 20 30 HHEDRO CCOC(=O)CC1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCC1 ZINC000434620716 980301981 /nfs/dbraw/zinc/30/19/81/980301981.db2.gz ZDTPUGUHPGLEAJ-UHFFFAOYSA-N 1 0 414.550 3.886 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000434865536 980456019 /nfs/dbraw/zinc/45/60/19/980456019.db2.gz RAYHHBYJMIHNSV-UHFFFAOYSA-N 1 0 406.864 3.763 20 30 HHEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C1=O ZINC000434863730 980456144 /nfs/dbraw/zinc/45/61/44/980456144.db2.gz CCLPITUXULZBJL-GOSISDBHSA-N 1 0 415.946 3.716 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C1=O ZINC000434876863 980462330 /nfs/dbraw/zinc/46/23/30/980462330.db2.gz KZFXCGKBXMPVMS-SFHVURJKSA-N 1 0 415.946 3.716 20 30 HHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000434979335 980545894 /nfs/dbraw/zinc/54/58/94/980545894.db2.gz SHDGMIXWAQSTQW-UXHICEINSA-N 1 0 409.534 3.598 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c(-c2ccncc2)n1 ZINC000434986072 980550789 /nfs/dbraw/zinc/55/07/89/980550789.db2.gz MCXJBSRWJVRKEQ-UHFFFAOYSA-N 1 0 419.554 3.984 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000435013909 980571192 /nfs/dbraw/zinc/57/11/92/980571192.db2.gz UGUAEWYWAIWXNH-QFIPXVFZSA-N 1 0 403.526 3.942 20 30 HHEDRO N#Cc1cccc(C2(C(=O)N[C@@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CC2)c1 ZINC000435021293 980577196 /nfs/dbraw/zinc/57/71/96/980577196.db2.gz PJZOASQWTBIJQM-HXUWFJFHSA-N 1 0 413.443 3.999 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435128440 980659981 /nfs/dbraw/zinc/65/99/81/980659981.db2.gz HSNAUKMHLDNYTD-NRFANRHFSA-N 1 0 414.557 3.955 20 30 HHEDRO N#CCCn1cc(CN2CCC[N@H+](CC3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000435128297 980660018 /nfs/dbraw/zinc/66/00/18/980660018.db2.gz CMEKHPZIVYPBSI-UHFFFAOYSA-N 1 0 406.578 3.947 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132136 980663286 /nfs/dbraw/zinc/66/32/86/980663286.db2.gz IAAOYXPADIZMFW-NRFANRHFSA-N 1 0 401.514 3.897 20 30 HHEDRO N#CCCn1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(-c2ccncc2)n1 ZINC000435137477 980668757 /nfs/dbraw/zinc/66/87/57/980668757.db2.gz MINJGBREZDCFIG-NRFANRHFSA-N 1 0 406.578 3.947 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000435158838 980687053 /nfs/dbraw/zinc/68/70/53/980687053.db2.gz WJWVXNJPYFITEU-IJEWVQPXSA-N 1 0 415.481 3.603 20 30 HHEDRO Cc1cc(NC(=O)COc2ccc(C#N)cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435281404 980757150 /nfs/dbraw/zinc/75/71/50/980757150.db2.gz WKPDECQMEBYPLP-OAQYLSRUSA-N 1 0 415.497 3.528 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1(c3ccc(C#N)cc3)CC1)c1ccccc1O2 ZINC000436104870 981202324 /nfs/dbraw/zinc/20/23/24/981202324.db2.gz QYUQEXQPDIGEKJ-NRFANRHFSA-N 1 0 401.510 3.694 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000436307798 981290136 /nfs/dbraw/zinc/29/01/36/981290136.db2.gz LMPGOVJCKOBVFE-OHNRDTAOSA-N 1 0 405.340 3.970 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436386779 981341311 /nfs/dbraw/zinc/34/13/11/981341311.db2.gz JFWUDKKGZFTBID-OAHLLOKOSA-N 1 0 412.444 3.518 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)nc1 ZINC000448201960 981614169 /nfs/dbraw/zinc/61/41/69/981614169.db2.gz IIRBGEFLIPMGSD-SIKLNZKXSA-N 1 0 402.498 3.834 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000448325717 981700891 /nfs/dbraw/zinc/70/08/91/981700891.db2.gz RVHRAICCVUBHQS-NRFANRHFSA-N 1 0 420.513 3.526 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000448327168 981701502 /nfs/dbraw/zinc/70/15/02/981701502.db2.gz HJEUWFOHIZCMNU-OAQYLSRUSA-N 1 0 420.513 3.526 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OCC(F)(F)F ZINC000448383143 981740143 /nfs/dbraw/zinc/74/01/43/981740143.db2.gz OPJIHYNJJOLXDJ-KDOFPFPSSA-N 1 0 422.451 3.980 20 30 HHEDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437078919 981749564 /nfs/dbraw/zinc/74/95/64/981749564.db2.gz CEKNGIMQKFMSQB-IVMQYODDSA-N 1 0 409.486 3.546 20 30 HHEDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437089564 981756020 /nfs/dbraw/zinc/75/60/20/981756020.db2.gz HGFWDNGYHCOLBS-XRTORIHISA-N 1 0 423.473 3.558 20 30 HHEDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437111201 981767278 /nfs/dbraw/zinc/76/72/78/981767278.db2.gz ZJWKTKNAZDTEDC-IJNIYJAUSA-N 1 0 408.502 3.961 20 30 HHEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000437236720 981894241 /nfs/dbraw/zinc/89/42/41/981894241.db2.gz OETXRJVQZZOCMR-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460551023 982336995 /nfs/dbraw/zinc/33/69/95/982336995.db2.gz LMXUNHPZXBHQDL-MOPGFXCFSA-N 1 0 413.566 3.608 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460557905 982344087 /nfs/dbraw/zinc/34/40/87/982344087.db2.gz YHJQUBJBXOWQIU-GGAORHGYSA-N 1 0 423.605 3.945 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460564633 982349566 /nfs/dbraw/zinc/34/95/66/982349566.db2.gz XJLSAISAJNUTNT-DENIHFKCSA-N 1 0 411.594 3.815 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460565850 982350743 /nfs/dbraw/zinc/35/07/43/982350743.db2.gz IVSBZMWIFRJSME-GOSISDBHSA-N 1 0 401.942 3.760 20 30 HHEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460573696 982357685 /nfs/dbraw/zinc/35/76/85/982357685.db2.gz LQOGONPVGLYSCB-SFHVURJKSA-N 1 0 421.545 3.957 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460580484 982364759 /nfs/dbraw/zinc/36/47/59/982364759.db2.gz WGQWQWVQLGFLAM-ICSRJNTNSA-N 1 0 417.561 3.974 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437807076 982369002 /nfs/dbraw/zinc/36/90/02/982369002.db2.gz VWRUNOBHUOUIIW-FIYPYCPBSA-N 1 0 409.933 3.752 20 30 HHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCOCC)CC1 ZINC000460680457 982444230 /nfs/dbraw/zinc/44/42/30/982444230.db2.gz XWJGCYDNBSGJBH-UHFFFAOYSA-N 1 0 410.566 3.554 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000437950920 982482377 /nfs/dbraw/zinc/48/23/77/982482377.db2.gz FCCZUWOQFIYSJS-KIFXHHALSA-N 1 0 419.525 3.983 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000437984723 982505915 /nfs/dbraw/zinc/50/59/15/982505915.db2.gz HYXNCSBMNAQCBU-IEBWSBKVSA-N 1 0 424.383 3.504 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000438040562 982543600 /nfs/dbraw/zinc/54/36/00/982543600.db2.gz UDAAMVDYVZCPPD-MEMLXQNLSA-N 1 0 406.505 3.861 20 30 HHEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000438056299 982557837 /nfs/dbraw/zinc/55/78/37/982557837.db2.gz LWBOGQAIIGBHKE-DEOSSOPVSA-N 1 0 408.546 3.571 20 30 HHEDRO COc1cc(CNC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ccc1C#N ZINC000460883522 982622442 /nfs/dbraw/zinc/62/24/42/982622442.db2.gz OHWZIZMHKJKXGE-GOSISDBHSA-N 1 0 420.435 3.688 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460951835 982685642 /nfs/dbraw/zinc/68/56/42/982685642.db2.gz YMALLOFEZPIXDI-OAQYLSRUSA-N 1 0 409.578 3.908 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460955735 982688845 /nfs/dbraw/zinc/68/88/45/982688845.db2.gz CXFNAFPDUQRSFK-QZTJIDSGSA-N 1 0 413.566 3.847 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460959086 982691070 /nfs/dbraw/zinc/69/10/70/982691070.db2.gz JQQLASVGPWHGAH-OAQYLSRUSA-N 1 0 416.573 3.941 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460960126 982691909 /nfs/dbraw/zinc/69/19/09/982691909.db2.gz PGVMLIIBPOFDNC-FXAWDEMLSA-N 1 0 413.566 3.705 20 30 HHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000438455464 982807295 /nfs/dbraw/zinc/80/72/95/982807295.db2.gz AURSFFWBUAMKJB-UHFFFAOYSA-N 1 0 409.511 3.996 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000438470877 982822047 /nfs/dbraw/zinc/82/20/47/982822047.db2.gz KHWLLRYXYMATDT-UHFFFAOYSA-N 1 0 418.400 3.943 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438655570 982973143 /nfs/dbraw/zinc/97/31/43/982973143.db2.gz MHPQNFYZKHKIIU-OXJNMPFZSA-N 1 0 424.932 3.834 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC000439129972 983264831 /nfs/dbraw/zinc/26/48/31/983264831.db2.gz IXLFXLQLZSKQNS-UHFFFAOYSA-N 1 0 406.368 3.989 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000439437637 983408574 /nfs/dbraw/zinc/40/85/74/983408574.db2.gz ZOTWOBRMITUPML-ZWKOTPCHSA-N 1 0 416.591 3.504 20 30 HHEDRO CCCc1c(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439678358 983497696 /nfs/dbraw/zinc/49/76/96/983497696.db2.gz OALQWHPPJLMGIM-QZTJIDSGSA-N 1 0 408.550 3.938 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000440252076 983697877 /nfs/dbraw/zinc/69/78/77/983697877.db2.gz DUJKNNCGMQHENM-TXTKFYIRSA-N 1 0 412.578 3.952 20 30 HHEDRO CC[C@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000440479431 983771777 /nfs/dbraw/zinc/77/17/77/983771777.db2.gz RLGMLQYQGAAUTK-INIZCTEOSA-N 1 0 403.486 3.836 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440642601 983835347 /nfs/dbraw/zinc/83/53/47/983835347.db2.gz QOEDFDQBZHODRI-UHFFFAOYSA-N 1 0 424.302 3.599 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@]2(CO)CCCc3ccccc32)sc2c1CCCC2 ZINC000440819153 983920826 /nfs/dbraw/zinc/92/08/26/983920826.db2.gz BLVBFTDMXXKPAK-HSZRJFAPSA-N 1 0 409.555 3.641 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)sc2C1 ZINC000441227632 984126431 /nfs/dbraw/zinc/12/64/31/984126431.db2.gz LYXKCEHEIDZJNM-IKGGRYGDSA-N 1 0 401.576 3.822 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441283700 984158113 /nfs/dbraw/zinc/15/81/13/984158113.db2.gz WMTODOGKTBQNRG-RTBURBONSA-N 1 0 424.520 3.792 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000441388981 984225188 /nfs/dbraw/zinc/22/51/88/984225188.db2.gz UEDINCIMLIULFH-XJKSGUPXSA-N 1 0 410.331 3.911 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441399350 984230613 /nfs/dbraw/zinc/23/06/13/984230613.db2.gz DTAGRPOSXLQDHA-OPYAIIAOSA-N 1 0 412.603 3.826 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441401834 984232847 /nfs/dbraw/zinc/23/28/47/984232847.db2.gz GRRFRIIINIQKER-LVCYWYKZSA-N 1 0 412.603 3.968 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441891475 984522175 /nfs/dbraw/zinc/52/21/75/984522175.db2.gz BEGNTHZZCHDQOZ-VIQWUECVSA-N 1 0 415.557 3.658 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1cccs1 ZINC000441924320 984543610 /nfs/dbraw/zinc/54/36/10/984543610.db2.gz JVPOBUDBGWTSRL-JXFKEZNVSA-N 1 0 424.570 3.687 20 30 HHEDRO C[C@H](C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000462044963 985019412 /nfs/dbraw/zinc/01/94/12/985019412.db2.gz AAMKOUARURNLKG-SFHVURJKSA-N 1 0 410.949 3.644 20 30 HHEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000442867370 985251607 /nfs/dbraw/zinc/25/16/07/985251607.db2.gz LCIUJZJYYMUERS-WWDZGPRUSA-N 1 0 401.532 3.739 20 30 HHEDRO N#Cc1cccc([C@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)CCO2)c1 ZINC000443079010 985364936 /nfs/dbraw/zinc/36/49/36/985364936.db2.gz YBCLDTDGMKAOQN-DGWZTRNLSA-N 1 0 415.537 3.760 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H]1C ZINC000443355628 985518112 /nfs/dbraw/zinc/51/81/12/985518112.db2.gz KOIQYSCVKCDEJB-XLIONFOSSA-N 1 0 420.513 3.620 20 30 HHEDRO CN(c1ccc(OCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443495682 985669966 /nfs/dbraw/zinc/66/99/66/985669966.db2.gz CAJBBTUYQODKEF-UHFFFAOYSA-N 1 0 419.934 3.511 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)ccc1OC ZINC000462759870 985699336 /nfs/dbraw/zinc/69/93/36/985699336.db2.gz YYFUUZXSCDHIFD-YPAWHYETSA-N 1 0 406.526 3.897 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC000443586848 985761858 /nfs/dbraw/zinc/76/18/58/985761858.db2.gz YRRULURFWZFKNB-HSZRJFAPSA-N 1 0 420.557 3.576 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1OC ZINC000462874499 985799609 /nfs/dbraw/zinc/79/96/09/985799609.db2.gz CXYYUTCJWVJVSX-UHFFFAOYSA-N 1 0 420.351 3.925 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000443641952 985831377 /nfs/dbraw/zinc/83/13/77/985831377.db2.gz XHPYAQAACJBVHU-OXJNMPFZSA-N 1 0 404.445 3.823 20 30 HHEDRO N#Cc1ccsc1NC(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443655720 985854122 /nfs/dbraw/zinc/85/41/22/985854122.db2.gz ZQOWNZIHKTXSEN-UHFFFAOYSA-N 1 0 414.534 3.946 20 30 HHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C[C@@H](C)C1 ZINC000443662861 985864912 /nfs/dbraw/zinc/86/49/12/985864912.db2.gz VZERVXABRKJOBM-CEXWTWQISA-N 1 0 412.578 3.724 20 30 HHEDRO Cc1c(Br)ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1F ZINC000468230149 985927800 /nfs/dbraw/zinc/92/78/00/985927800.db2.gz KECJAQGQJUVRHL-UHFFFAOYSA-N 1 0 418.310 3.972 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024041 985983252 /nfs/dbraw/zinc/98/32/52/985983252.db2.gz WCEQNFLFEWNABY-YADARESESA-N 1 0 418.541 3.632 20 30 HHEDRO Cn1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000463045725 986004907 /nfs/dbraw/zinc/00/49/07/986004907.db2.gz XKRUXXQGCDSEMX-RUZDIDTESA-N 1 0 400.526 3.776 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1 ZINC000443868002 986068694 /nfs/dbraw/zinc/06/86/94/986068694.db2.gz LESZPUUNMYUVCG-QHCPKHFHSA-N 1 0 419.525 3.986 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(OC)c1 ZINC000463202753 986173593 /nfs/dbraw/zinc/17/35/93/986173593.db2.gz ZLVPOGJQNLHVGS-IFPLKCGESA-N 1 0 417.590 3.815 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CC(N4CCC(C(F)(F)F)CC4)C3)CC2)cc1 ZINC000463238030 986206844 /nfs/dbraw/zinc/20/68/44/986206844.db2.gz SYJJJJCAIXXQQA-UHFFFAOYSA-N 1 0 420.523 3.918 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000463246995 986215884 /nfs/dbraw/zinc/21/58/84/986215884.db2.gz LSOGVYQZHCUICH-UZLBHIALSA-N 1 0 421.379 3.933 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000463263370 986230808 /nfs/dbraw/zinc/23/08/08/986230808.db2.gz VILUMPIUNQZYQP-XZOQPEGZSA-N 1 0 406.530 3.552 20 30 HHEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(Br)cc1OCCCO ZINC000463361502 986327980 /nfs/dbraw/zinc/32/79/80/986327980.db2.gz MBEIYVRPVVPDFQ-HNNXBMFYSA-N 1 0 419.319 3.812 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000468715391 986429861 /nfs/dbraw/zinc/42/98/61/986429861.db2.gz QNRDQVXPQFRQGG-UHFFFAOYSA-N 1 0 402.542 3.594 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463485169 986460331 /nfs/dbraw/zinc/46/03/31/986460331.db2.gz RMKVRTOMMYIONT-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000444385723 986560792 /nfs/dbraw/zinc/56/07/92/986560792.db2.gz BOOBICKOCNXUOA-UHFFFAOYSA-N 1 0 423.492 3.976 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC000444386278 986561254 /nfs/dbraw/zinc/56/12/54/986561254.db2.gz DKOCWHPYNFKNIJ-UHFFFAOYSA-N 1 0 410.566 3.928 20 30 HHEDRO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468898196 986604973 /nfs/dbraw/zinc/60/49/73/986604973.db2.gz HEYLDAFEPZAOPJ-UTKZUKDTSA-N 1 0 400.482 3.854 20 30 HHEDRO C=CCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000444460703 986642944 /nfs/dbraw/zinc/64/29/44/986642944.db2.gz MQWHEHRUJTUPQE-UHFFFAOYSA-N 1 0 410.587 3.753 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000444499400 986696992 /nfs/dbraw/zinc/69/69/92/986696992.db2.gz QZJRROIBPKIEDL-UHFFFAOYSA-N 1 0 407.490 3.711 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C2)c(F)c1 ZINC000469023639 986733170 /nfs/dbraw/zinc/73/31/70/986733170.db2.gz RIAMSPWFYOJPHY-OAQYLSRUSA-N 1 0 415.472 3.657 20 30 HHEDRO N#CC(CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000444684268 986864906 /nfs/dbraw/zinc/86/49/06/986864906.db2.gz LCJVDHCXCBJQHK-SFHVURJKSA-N 1 0 415.459 3.887 20 30 HHEDRO COc1ccc(C[C@@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000469151805 986875428 /nfs/dbraw/zinc/87/54/28/986875428.db2.gz WBDVLILIFKSPEK-HTAPYJJXSA-N 1 0 407.514 3.528 20 30 HHEDRO CCC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000444759606 986920790 /nfs/dbraw/zinc/92/07/90/986920790.db2.gz HDMOEHVIKMURDZ-HSZRJFAPSA-N 1 0 412.534 3.574 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469231707 986952523 /nfs/dbraw/zinc/95/25/23/986952523.db2.gz JTKQXVSTYMOXAO-UTKZUKDTSA-N 1 0 400.482 3.996 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC000469377058 987073123 /nfs/dbraw/zinc/07/31/23/987073123.db2.gz MBLZKQYPWRFNEW-UHFFFAOYSA-N 1 0 401.532 3.598 20 30 HHEDRO N#Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccc1F ZINC000469714271 987368208 /nfs/dbraw/zinc/36/82/08/987368208.db2.gz WGKZRBJJNUNOPD-UHFFFAOYSA-N 1 0 401.869 3.624 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000469722791 987374740 /nfs/dbraw/zinc/37/47/40/987374740.db2.gz HJWFUWVRNYEETJ-INIZCTEOSA-N 1 0 422.495 3.553 20 30 HHEDRO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)ccc1Br ZINC000469776976 987426498 /nfs/dbraw/zinc/42/64/98/987426498.db2.gz UNGQJIIDIFIACA-HNNXBMFYSA-N 1 0 404.352 3.888 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000469825181 987461693 /nfs/dbraw/zinc/46/16/93/987461693.db2.gz QGUBAGAWUCQAMC-HXUWFJFHSA-N 1 0 406.917 3.675 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000445803907 987864345 /nfs/dbraw/zinc/86/43/45/987864345.db2.gz WBFGPSLMLKGEPF-UHFFFAOYSA-N 1 0 422.273 3.803 20 30 HHEDRO N#CCCN(C(=O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000470221277 988149801 /nfs/dbraw/zinc/14/98/01/988149801.db2.gz XGUACHIPDGYCNU-JOCHJYFZSA-N 1 0 411.933 3.959 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000470343667 988309577 /nfs/dbraw/zinc/30/95/77/988309577.db2.gz HSXYPQFBWFZWIQ-GOSISDBHSA-N 1 0 408.502 3.579 20 30 HHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000464202065 988321430 /nfs/dbraw/zinc/32/14/30/988321430.db2.gz XLACPRWGKNTAOT-UHFFFAOYSA-N 1 0 415.559 3.667 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470538994 988545194 /nfs/dbraw/zinc/54/51/94/988545194.db2.gz XVZYFDPWRITNSP-SFHVURJKSA-N 1 0 411.550 3.656 20 30 HHEDRO Cn1nc(C(F)F)c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)sc21 ZINC000470826669 988898361 /nfs/dbraw/zinc/89/83/61/988898361.db2.gz QKWXSZOGQZLBKX-UHFFFAOYSA-N 1 0 417.485 3.648 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000464770946 988994982 /nfs/dbraw/zinc/99/49/82/988994982.db2.gz FKYLEQWZKYBJEE-FQEVSTJZSA-N 1 0 407.562 3.568 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470967655 989031475 /nfs/dbraw/zinc/03/14/75/989031475.db2.gz OHXHEKWFUNWRRK-PKOBYXMFSA-N 1 0 400.592 3.541 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000470980377 989045048 /nfs/dbraw/zinc/04/50/48/989045048.db2.gz XYCICTMDOGIIGW-VEXUSMLFSA-N 1 0 400.526 3.752 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC3(C2)CCOCC3)c1C#N ZINC000464816530 989052786 /nfs/dbraw/zinc/05/27/86/989052786.db2.gz SXJQDEIAOBZWRI-UHFFFAOYSA-N 1 0 410.493 3.546 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464829313 989067652 /nfs/dbraw/zinc/06/76/52/989067652.db2.gz FUIIKFYLDQMHIR-FYYLOGMGSA-N 1 0 404.558 3.776 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1C#N ZINC000464851901 989105210 /nfs/dbraw/zinc/10/52/10/989105210.db2.gz MVWSYLYEGSSGIF-LAUBAEHRSA-N 1 0 410.493 3.544 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1C#N ZINC000464851900 989105510 /nfs/dbraw/zinc/10/55/10/989105510.db2.gz MVWSYLYEGSSGIF-DYESRHJHSA-N 1 0 410.493 3.544 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+](C)CC23CCCCC3)c1C#N ZINC000471036431 989109542 /nfs/dbraw/zinc/10/95/42/989109542.db2.gz AGKWEWKNGBFBSF-UHFFFAOYSA-N 1 0 411.594 3.981 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464901796 989174290 /nfs/dbraw/zinc/17/42/90/989174290.db2.gz PYTZXUFSBRSYOF-HXUWFJFHSA-N 1 0 421.541 3.849 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000464921187 989202709 /nfs/dbraw/zinc/20/27/09/989202709.db2.gz XEENMARKKHRBCF-UHFFFAOYSA-N 1 0 419.525 3.843 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@H](C)C1 ZINC000471228044 989371729 /nfs/dbraw/zinc/37/17/29/989371729.db2.gz RKYKNUKUEBONKU-JPYJTQIMSA-N 1 0 421.589 3.626 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471599160 989803151 /nfs/dbraw/zinc/80/31/51/989803151.db2.gz OTYVDDSATKHQPX-FQEVSTJZSA-N 1 0 415.459 3.878 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000465574012 989942180 /nfs/dbraw/zinc/94/21/80/989942180.db2.gz OTOXXAARMZSPED-XZOQPEGZSA-N 1 0 406.530 3.608 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)C2)n1 ZINC000471822279 990002286 /nfs/dbraw/zinc/00/22/86/990002286.db2.gz MUCDPHMZMAEKEK-HSZRJFAPSA-N 1 0 419.573 3.635 20 30 HHEDRO COC(=O)c1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)cc1C ZINC000471849935 990024193 /nfs/dbraw/zinc/02/41/93/990024193.db2.gz UALWVTUYWAPSCI-UHFFFAOYSA-N 1 0 420.513 3.702 20 30 HHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471886813 990060082 /nfs/dbraw/zinc/06/00/82/990060082.db2.gz ULWPKJDMNVFTHW-QHCPKHFHSA-N 1 0 419.573 3.588 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)CCCC2)CC1 ZINC000465902901 991030496 /nfs/dbraw/zinc/03/04/96/991030496.db2.gz JTRNRHJLVXDOKF-XZOQPEGZSA-N 1 0 424.589 3.891 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000466076098 991250322 /nfs/dbraw/zinc/25/03/22/991250322.db2.gz JCIIVFBSWMPNLD-FXAWDEMLSA-N 1 0 412.559 3.869 20 30 HHEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000466171587 991363603 /nfs/dbraw/zinc/36/36/03/991363603.db2.gz USOYGRLNOAAWLS-QGZVFWFLSA-N 1 0 414.937 3.752 20 30 HHEDRO Cc1cccc(O[C@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466228241 991450990 /nfs/dbraw/zinc/45/09/90/991450990.db2.gz UZXKJNARLVVBOG-HXUWFJFHSA-N 1 0 406.530 3.552 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1OCC ZINC000466390959 991681086 /nfs/dbraw/zinc/68/10/86/991681086.db2.gz WVTANWLGFFWHAY-AWEZNQCLSA-N 1 0 411.340 3.513 20 30 HHEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000466436644 991725078 /nfs/dbraw/zinc/72/50/78/991725078.db2.gz OIARFJZFYCIOEQ-MRXNPFEDSA-N 1 0 400.473 3.713 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[NH+]1CCCC1 ZINC000466617786 991933406 /nfs/dbraw/zinc/93/34/06/991933406.db2.gz JKYHOOSEAWFXCU-LJQANCHMSA-N 1 0 423.517 3.731 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccn1 ZINC000466967849 992279292 /nfs/dbraw/zinc/27/92/92/992279292.db2.gz SCJQCCJAQUIREJ-UHFFFAOYSA-N 1 0 405.502 3.864 20 30 HHEDRO CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccccn1 ZINC000466969760 992281672 /nfs/dbraw/zinc/28/16/72/992281672.db2.gz SWGNFYWEZLNYAL-UHFFFAOYSA-N 1 0 417.513 3.830 20 30 HHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000467029759 992338236 /nfs/dbraw/zinc/33/82/36/992338236.db2.gz WVZOGQFRDYQCAH-QGZVFWFLSA-N 1 0 424.549 3.823 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467140463 992456818 /nfs/dbraw/zinc/45/68/18/992456818.db2.gz RMMYQTZOBPARDJ-YJBOKZPZSA-N 1 0 419.497 3.683 20 30 HHEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000467439514 992735895 /nfs/dbraw/zinc/73/58/95/992735895.db2.gz VVHJLEFXNLNKSR-KRWDZBQOSA-N 1 0 409.511 3.523 20 30 HHEDRO C[C@@H]1CCc2ccccc2N1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000467529620 992807049 /nfs/dbraw/zinc/80/70/49/992807049.db2.gz BOLDFTCHGPJOPG-HXUWFJFHSA-N 1 0 404.558 3.680 20 30 HHEDRO CC#CCCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000467788852 993025027 /nfs/dbraw/zinc/02/50/27/993025027.db2.gz RHSBYXHOPFVUBB-UHFFFAOYSA-N 1 0 407.352 3.602 20 30 HHEDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000472218000 993248510 /nfs/dbraw/zinc/24/85/10/993248510.db2.gz AQLDZSZKRDHNQO-UHFFFAOYSA-N 1 0 415.541 3.776 20 30 HHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](CC)CN1C(C)=O ZINC000472322941 993333361 /nfs/dbraw/zinc/33/33/61/993333361.db2.gz GWTSQGPLWTXSLW-IRXDYDNUSA-N 1 0 416.591 3.548 20 30 HHEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000472423227 993420564 /nfs/dbraw/zinc/42/05/64/993420564.db2.gz BREVWZOLUULAIG-UHFFFAOYSA-N 1 0 423.582 3.816 20 30 HHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1 ZINC000480728196 993595075 /nfs/dbraw/zinc/59/50/75/993595075.db2.gz FVODVVQEOJXRIT-UHFFFAOYSA-N 1 0 417.550 3.939 20 30 HHEDRO C=CCC[C@@H](O)C[NH+]1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000472773865 993714750 /nfs/dbraw/zinc/71/47/50/993714750.db2.gz GHJWQZPDVFAYOS-CRAIPNDOSA-N 1 0 424.467 3.761 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000481026241 993870714 /nfs/dbraw/zinc/87/07/14/993870714.db2.gz RFQZTNUPQOJAOZ-KRWDZBQOSA-N 1 0 415.534 3.691 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481029122 993873687 /nfs/dbraw/zinc/87/36/87/993873687.db2.gz WWGVNTCFFCCMDB-DYESRHJHSA-N 1 0 415.534 3.685 20 30 HHEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000481039254 993884193 /nfs/dbraw/zinc/88/41/93/993884193.db2.gz SDFYBNCCQZUNBF-KRWDZBQOSA-N 1 0 420.579 3.539 20 30 HHEDRO C[C@H](CCNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000473022257 993941678 /nfs/dbraw/zinc/94/16/78/993941678.db2.gz LSHGAMRVQVURRC-OAQYLSRUSA-N 1 0 419.573 3.691 20 30 HHEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167705 993998071 /nfs/dbraw/zinc/99/80/71/993998071.db2.gz LWLSINLAXLOUFE-FIKGOQFSSA-N 1 0 422.598 3.936 20 30 HHEDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H]1C ZINC000481183480 994014637 /nfs/dbraw/zinc/01/46/37/994014637.db2.gz BKJGMBVYALVLIT-IIMDRIAPSA-N 1 0 412.578 3.770 20 30 HHEDRO C=C(C)CN(C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000481214103 994047198 /nfs/dbraw/zinc/04/71/98/994047198.db2.gz UECUIHOQXMMISA-GOSISDBHSA-N 1 0 413.543 3.951 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000481381487 994213073 /nfs/dbraw/zinc/21/30/73/994213073.db2.gz NOOKHAUJTHSDRN-XMMPIXPASA-N 1 0 419.529 3.894 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000481497733 994330529 /nfs/dbraw/zinc/33/05/29/994330529.db2.gz XNVIFEDCPTZZJD-UHFFFAOYSA-N 1 0 402.539 3.750 20 30 HHEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Br ZINC000473651202 994536394 /nfs/dbraw/zinc/53/63/94/994536394.db2.gz WJFZRLJSHKSMIK-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000473673281 994563073 /nfs/dbraw/zinc/56/30/73/994563073.db2.gz DUMYXITWTMUIQY-QGZVFWFLSA-N 1 0 403.596 3.618 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nnc1-c1ccco1 ZINC000481759968 994612107 /nfs/dbraw/zinc/61/21/07/994612107.db2.gz ISTCFNZICBJELG-CALCHBBNSA-N 1 0 417.579 3.585 20 30 HHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCSC1 ZINC000481781171 994630218 /nfs/dbraw/zinc/63/02/18/994630218.db2.gz MAJDGJZDLFLIAK-HSZRJFAPSA-N 1 0 424.570 3.890 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481891299 994760104 /nfs/dbraw/zinc/76/01/04/994760104.db2.gz JQUGBAWAAGVYQW-VJBMBRPKSA-N 1 0 403.526 3.839 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474206530 995202555 /nfs/dbraw/zinc/20/25/55/995202555.db2.gz PGLCCXIWXGZPKW-HSZRJFAPSA-N 1 0 409.555 3.544 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000482218102 995203139 /nfs/dbraw/zinc/20/31/39/995203139.db2.gz QBKOCNSPWJHBDO-LJQANCHMSA-N 1 0 421.541 3.732 20 30 HHEDRO C=CC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000474281029 995275925 /nfs/dbraw/zinc/27/59/25/995275925.db2.gz QBVWHFYQIWJINZ-MRXNPFEDSA-N 1 0 420.908 3.646 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000474493822 995450760 /nfs/dbraw/zinc/45/07/60/995450760.db2.gz HRRSUDYVSXWOEU-UHFFFAOYSA-N 1 0 410.562 3.908 20 30 HHEDRO N#Cc1ccc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000482542463 995551258 /nfs/dbraw/zinc/55/12/58/995551258.db2.gz GZIMLXLOFRTWTM-UHFFFAOYSA-N 1 0 403.555 3.992 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000482616564 995612636 /nfs/dbraw/zinc/61/26/36/995612636.db2.gz VCKWOAIXOCNAKV-ISKFKSNPSA-N 1 0 418.541 3.633 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3-n3cncn3)C2)c(F)c1 ZINC000474713537 995652737 /nfs/dbraw/zinc/65/27/37/995652737.db2.gz XVKFBXBEEWNSPZ-SFHVURJKSA-N 1 0 410.884 3.690 20 30 HHEDRO N#CC1(CCC[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)CCOCC1 ZINC000482776803 995741968 /nfs/dbraw/zinc/74/19/68/995741968.db2.gz BSKZMJDUKUSHID-UHFFFAOYSA-N 1 0 424.358 3.806 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000474866919 995762754 /nfs/dbraw/zinc/76/27/54/995762754.db2.gz DQBLBBGFMZQNCN-UHFFFAOYSA-N 1 0 414.468 3.889 20 30 HHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000483033726 995932097 /nfs/dbraw/zinc/93/20/97/995932097.db2.gz UWRIQFHGWILMQG-DEOSSOPVSA-N 1 0 408.546 3.854 20 30 HHEDRO O=C(C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000483115399 995985076 /nfs/dbraw/zinc/98/50/76/995985076.db2.gz XQUGHGZILMKLHN-GOSISDBHSA-N 1 0 404.407 3.802 20 30 HHEDRO CCO[C@@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000475297130 996052833 /nfs/dbraw/zinc/05/28/33/996052833.db2.gz LLUHHWPMTWBISJ-QHCPKHFHSA-N 1 0 412.578 3.761 20 30 HHEDRO Cn1cc(C[NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)cc1C#N ZINC000483261893 996067618 /nfs/dbraw/zinc/06/76/18/996067618.db2.gz OCAUUKWAANXWEM-UHFFFAOYSA-N 1 0 422.426 3.705 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1C#N ZINC000483264151 996068866 /nfs/dbraw/zinc/06/88/66/996068866.db2.gz VMHWJUVTEMNFQO-UHFFFAOYSA-N 1 0 401.308 3.510 20 30 HHEDRO COc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OCCCC#N ZINC000475346712 996082040 /nfs/dbraw/zinc/08/20/40/996082040.db2.gz PDHLCPSHFGCNPE-ZRZAMGCNSA-N 1 0 405.542 3.942 20 30 HHEDRO C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000475444214 996143969 /nfs/dbraw/zinc/14/39/69/996143969.db2.gz HPDDYPKUWNGUMU-AZUAARDMSA-N 1 0 408.521 3.842 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000483406028 996156980 /nfs/dbraw/zinc/15/69/80/996156980.db2.gz QMQDKWNFCIEHAR-FGZHOGPDSA-N 1 0 406.555 3.954 20 30 HHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)ccc1OC ZINC000475619885 996253054 /nfs/dbraw/zinc/25/30/54/996253054.db2.gz DKVJMIKJDGRPFI-FQEVSTJZSA-N 1 0 414.550 3.828 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000483570621 996257676 /nfs/dbraw/zinc/25/76/76/996257676.db2.gz UEUWUXHLDINNTO-UHFFFAOYSA-N 1 0 402.445 3.798 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000483587272 996268614 /nfs/dbraw/zinc/26/86/14/996268614.db2.gz BZZIHMUSPNGDSH-IRLDBZIGSA-N 1 0 405.546 3.637 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@]2(CO)Cc2ccccc2)sc2c1CCCC2 ZINC000475679944 996295799 /nfs/dbraw/zinc/29/57/99/996295799.db2.gz NTSNJMREYSUYHR-XMMPIXPASA-N 1 0 423.582 3.897 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475736683 996335805 /nfs/dbraw/zinc/33/58/05/996335805.db2.gz BJXPTJLQLFLYHV-ZJSXRUAMSA-N 1 0 408.590 3.706 20 30 HHEDRO CC[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1F ZINC000483982505 996505075 /nfs/dbraw/zinc/50/50/75/996505075.db2.gz HNLWMSUKMSJHOH-OAQYLSRUSA-N 1 0 424.520 3.772 20 30 HHEDRO CC[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1F ZINC000483982498 996505118 /nfs/dbraw/zinc/50/51/18/996505118.db2.gz HNLWMSUKMSJHOH-NRFANRHFSA-N 1 0 424.520 3.772 20 30 HHEDRO CN(C)c1nc2cc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000484065139 996550511 /nfs/dbraw/zinc/55/05/11/996550511.db2.gz DKRJRERTOUFOSE-UHFFFAOYSA-N 1 0 418.501 3.505 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476315169 996750541 /nfs/dbraw/zinc/75/05/41/996750541.db2.gz RCIUUZNIPGWOOA-IBGZPJMESA-N 1 0 417.962 3.744 20 30 HHEDRO Cc1ccc([C@@H](Cn2ccnc2)NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000476410973 996871012 /nfs/dbraw/zinc/87/10/12/996871012.db2.gz FSCZGJASOCITAZ-LJQANCHMSA-N 1 0 414.918 3.745 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000476417985 996882083 /nfs/dbraw/zinc/88/20/83/996882083.db2.gz YMHHNZPUJUOEAW-MRXNPFEDSA-N 1 0 409.983 3.877 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000484579458 996913087 /nfs/dbraw/zinc/91/30/87/996913087.db2.gz AEKJFHKGMDJLFQ-UHFFFAOYSA-N 1 0 424.932 3.698 20 30 HHEDRO CC(C)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C[NH+]1CCCC1 ZINC000484648181 996984107 /nfs/dbraw/zinc/98/41/07/996984107.db2.gz CUZPXRLEUUYRPZ-UHFFFAOYSA-N 1 0 411.550 3.513 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)c2)cc1 ZINC000484665299 997004132 /nfs/dbraw/zinc/00/41/32/997004132.db2.gz AHFSFDKCLLBERV-UHFFFAOYSA-N 1 0 405.498 3.535 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000476605126 997114874 /nfs/dbraw/zinc/11/48/74/997114874.db2.gz XYNLVDIMGFVADO-OAQYLSRUSA-N 1 0 409.530 3.896 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CC[C@H](C)C1 ZINC000484895948 997263802 /nfs/dbraw/zinc/26/38/02/997263802.db2.gz RDXVIKTWWCZYJG-QFBILLFUSA-N 1 0 412.534 3.693 20 30 HHEDRO COCCC[N@@H+]1Cc2cccc(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2C1 ZINC000484910302 997283719 /nfs/dbraw/zinc/28/37/19/997283719.db2.gz UPBHJUIOMOVAEQ-HSZRJFAPSA-N 1 0 404.514 3.518 20 30 HHEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000485038315 997403177 /nfs/dbraw/zinc/40/31/77/997403177.db2.gz ZJQBZGPLLICKEB-HKUYNNGSSA-N 1 0 422.554 3.862 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000477106664 997759211 /nfs/dbraw/zinc/75/92/11/997759211.db2.gz ISXGRFIQCFFONP-LJQANCHMSA-N 1 0 408.502 3.891 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000485361486 997785545 /nfs/dbraw/zinc/78/55/45/997785545.db2.gz NORVFVCWLCRXMT-FSSWDIPSSA-N 1 0 420.582 3.712 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461262 998174020 /nfs/dbraw/zinc/17/40/20/998174020.db2.gz AWNHQUVGNQIPMM-UXHICEINSA-N 1 0 411.498 3.729 20 30 HHEDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485804857 998273658 /nfs/dbraw/zinc/27/36/58/998273658.db2.gz JLKOXLXWQHMLRV-MJGOQNOKSA-N 1 0 407.283 3.940 20 30 HHEDRO N#CC1(CS(=O)(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC000477590065 998306890 /nfs/dbraw/zinc/30/68/90/998306890.db2.gz RXZRVRHNOPSNLH-UHFFFAOYSA-N 1 0 411.571 3.692 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000477598715 998315273 /nfs/dbraw/zinc/31/52/73/998315273.db2.gz PFISTOLMDQMWNK-UHFFFAOYSA-N 1 0 418.541 3.931 20 30 HHEDRO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCN1CCCOc1cccc(C#N)c1 ZINC000477634548 998352050 /nfs/dbraw/zinc/35/20/50/998352050.db2.gz JUTNDQBFVKGMNH-OAQYLSRUSA-N 1 0 418.541 3.674 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(F)c(F)c1 ZINC000477723965 998452914 /nfs/dbraw/zinc/45/29/14/998452914.db2.gz GADMKWRRDZDTFK-HJKBJPMPSA-N 1 0 418.532 3.534 20 30 HHEDRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000477725863 998456407 /nfs/dbraw/zinc/45/64/07/998456407.db2.gz NQUZTELDGPAMET-ZWKOTPCHSA-N 1 0 410.484 3.528 20 30 HHEDRO Cc1ccc(C[NH+]=C(NCc2cccc(N3CCOCC3)n2)Nc2ccccc2)cc1 ZINC000477832492 998587998 /nfs/dbraw/zinc/58/79/98/998587998.db2.gz DUAPMNHKSCGSDK-UHFFFAOYSA-N 1 0 415.541 3.985 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000477863368 998613951 /nfs/dbraw/zinc/61/39/51/998613951.db2.gz SGHYYVFIYQGTCL-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000477899798 998641846 /nfs/dbraw/zinc/64/18/46/998641846.db2.gz HYPNDBNDSZAKRC-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO CC(C)[C@H]1CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC[N@@H+]1C ZINC000486238565 998668151 /nfs/dbraw/zinc/66/81/51/998668151.db2.gz BLDIGCIBNVZIQK-MRXNPFEDSA-N 1 0 416.576 3.506 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000478058182 998741306 /nfs/dbraw/zinc/74/13/06/998741306.db2.gz KSQVPXLSDRVYTO-XLIONFOSSA-N 1 0 400.592 3.702 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(Cc4nnc5n4CCC5)cc3)CC2)cc1 ZINC000478170937 998799911 /nfs/dbraw/zinc/79/99/11/998799911.db2.gz NVCANGVGQHCGCM-UHFFFAOYSA-N 1 0 412.541 3.763 20 30 HHEDRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000486878237 998987165 /nfs/dbraw/zinc/98/71/65/998987165.db2.gz HJFBTPYKRVXPBH-HSZRJFAPSA-N 1 0 412.493 3.520 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000486998565 999030862 /nfs/dbraw/zinc/03/08/62/999030862.db2.gz QYSAXSYJAHTKOC-INIZCTEOSA-N 1 0 411.377 3.912 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C#N)c(C)c1C ZINC000487062798 999051894 /nfs/dbraw/zinc/05/18/94/999051894.db2.gz QOLPXIQZEKNOOU-OAQYLSRUSA-N 1 0 422.598 3.651 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)cc2Cl)CC1 ZINC000478628439 999053783 /nfs/dbraw/zinc/05/37/83/999053783.db2.gz WVIMQKWSOOCQIZ-UHFFFAOYSA-N 1 0 400.748 3.894 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000487497908 999199011 /nfs/dbraw/zinc/19/90/11/999199011.db2.gz DFPGAHXJVLAKIU-GOSISDBHSA-N 1 0 413.587 3.875 20 30 HHEDRO N#CC1(NC(=O)c2ccccc2OC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000479247851 999345643 /nfs/dbraw/zinc/34/56/43/999345643.db2.gz QDEIKXKYBZBCDQ-UHFFFAOYSA-N 1 0 403.404 3.873 20 30 HHEDRO CC(C)(C)OC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479268908 999356954 /nfs/dbraw/zinc/35/69/54/999356954.db2.gz AIQRZCZACKKTEN-UHFFFAOYSA-N 1 0 419.525 3.930 20 30 HHEDRO COc1ccccc1C[C@H](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479291704 999368514 /nfs/dbraw/zinc/36/85/14/999368514.db2.gz VDVCJAAUBVAJHA-FQEVSTJZSA-N 1 0 405.542 3.938 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)C2=O)cc1 ZINC000479435518 999415350 /nfs/dbraw/zinc/41/53/50/999415350.db2.gz HICGEOCJHQWVGY-UPVQGACJSA-N 1 0 411.509 3.907 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)N(C)Cc3cccc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000488308243 999433235 /nfs/dbraw/zinc/43/32/35/999433235.db2.gz UKPVRJJUBKPQQN-PKTZIBPZSA-N 1 0 404.514 3.686 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000488332723 999444420 /nfs/dbraw/zinc/44/44/20/999444420.db2.gz TWFPCYRZUQWAKJ-SJORKVTESA-N 1 0 402.564 3.798 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)N(C)Cc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000488400992 999475604 /nfs/dbraw/zinc/47/56/04/999475604.db2.gz FQWPQDJIYUQYLS-DHIUTWEWSA-N 1 0 404.514 3.686 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000488475155 999499797 /nfs/dbraw/zinc/49/97/97/999499797.db2.gz ZWQVVORXCAKIQV-IUODEOHRSA-N 1 0 404.333 3.834 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488522534 999517063 /nfs/dbraw/zinc/51/70/63/999517063.db2.gz PBSVVKKELJWAOX-YKSBVNFPSA-N 1 0 420.557 3.627 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)CC1 ZINC000488791099 999608789 /nfs/dbraw/zinc/60/87/89/999608789.db2.gz DKAOFFDWWNOPFS-INIZCTEOSA-N 1 0 408.949 3.740 20 30 HHEDRO CCc1noc(-c2ccc(CC[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)n1 ZINC000479896150 999640105 /nfs/dbraw/zinc/64/01/05/999640105.db2.gz YZGQHRSUEMMJJY-UHFFFAOYSA-N 1 0 412.497 3.903 20 30 HHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H](C)C1 ZINC000488915771 999646144 /nfs/dbraw/zinc/64/61/44/999646144.db2.gz KLAWMWFLXUZZTK-KIEBPUIESA-N 1 0 410.562 3.620 20 30 HHEDRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000479953683 999661653 /nfs/dbraw/zinc/66/16/53/999661653.db2.gz YDFICNNTZMSZKA-UHFFFAOYSA-N 1 0 402.502 3.778 20 30 HHEDRO N#Cc1c(C#N)c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc2c1CCCCCC2 ZINC000480085628 999713334 /nfs/dbraw/zinc/71/33/34/999713334.db2.gz MABIGGOEZOCDJB-IBGZPJMESA-N 1 0 407.562 3.565 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc(OC)c1OC ZINC000489274557 999735064 /nfs/dbraw/zinc/73/50/64/999735064.db2.gz DJOJVSRCCMLNIW-HXUWFJFHSA-N 1 0 415.509 3.674 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000489296430 999739686 /nfs/dbraw/zinc/73/96/86/999739686.db2.gz ZKZKEDCNRQSORC-HTAPYJJXSA-N 1 0 411.546 3.923 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(C#N)c(C)c1C ZINC000489460497 999772130 /nfs/dbraw/zinc/77/21/30/999772130.db2.gz RIJXWZCUNJEBBQ-LJQANCHMSA-N 1 0 400.523 3.529 20 30 HHEDRO CN1CCC([NH+]2CCC(NC(=O)c3ccccc3Oc3ccccc3C#N)CC2)CC1 ZINC000480545098 999822856 /nfs/dbraw/zinc/82/28/56/999822856.db2.gz JKSIBRYYEVKMEQ-UHFFFAOYSA-N 1 0 418.541 3.639 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)C(C)C ZINC000480568363 999828822 /nfs/dbraw/zinc/82/88/22/999828822.db2.gz KDUUIZPQGVIRBE-JLLPCOHGSA-N 1 0 411.590 3.899 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)C(C)C ZINC000480568365 999828860 /nfs/dbraw/zinc/82/88/60/999828860.db2.gz KDUUIZPQGVIRBE-NAVOZUGXSA-N 1 0 411.590 3.899 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489796174 999839838 /nfs/dbraw/zinc/83/98/38/999839838.db2.gz JDUCAKUGJSDNLA-UHFFFAOYSA-N 1 0 423.557 3.550 20 30 HHEDRO COc1cc(N[C@@H]2CCCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc(OC)c1 ZINC000490046660 999884380 /nfs/dbraw/zinc/88/43/80/999884380.db2.gz UYQMQABIGHBDTJ-GOSISDBHSA-N 1 0 419.485 3.702 20 30 HHEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)cc1 ZINC000490058056 999886836 /nfs/dbraw/zinc/88/68/36/999886836.db2.gz FKUHJIHVWJFUJX-FCEUIQTBSA-N 1 0 422.598 3.643 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1C ZINC000490110015 999894476 /nfs/dbraw/zinc/89/44/76/999894476.db2.gz YOZJBTZTSNNNRU-UHFFFAOYSA-N 1 0 409.505 3.985 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000490374598 999947294 /nfs/dbraw/zinc/94/72/94/999947294.db2.gz SVMUGGIPIZQTEF-WIYYLYMNSA-N 1 0 406.530 3.635 20 30 HHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000490402184 999951857 /nfs/dbraw/zinc/95/18/57/999951857.db2.gz PIEUAKUBNNMYRD-AUSIDOKSSA-N 1 0 404.514 3.890 20 30 HHEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c(Cl)c1 ZINC000490459523 999961037 /nfs/dbraw/zinc/96/10/37/999961037.db2.gz HYOWIMSYUJVUNK-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000491194544 1000054009 /nfs/dbraw/zinc/05/40/09/1000054009.db2.gz NXJNHFMYMQJPQE-SFHVURJKSA-N 1 0 424.512 3.684 20 30 HHEDRO Cn1cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491227643 1000056837 /nfs/dbraw/zinc/05/68/37/1000056837.db2.gz GQOKKNWEAIUMFT-UHFFFAOYSA-N 1 0 420.561 3.555 20 30 HHEDRO COc1cccc([C@H](C)[NH+]2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491238450 1000057605 /nfs/dbraw/zinc/05/76/05/1000057605.db2.gz GZMKWWKOUXVVOI-IBGZPJMESA-N 1 0 415.541 3.846 20 30 HHEDRO Cn1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491237099 1000057703 /nfs/dbraw/zinc/05/77/03/1000057703.db2.gz AZOJKTOCDWNZIU-UHFFFAOYSA-N 1 0 405.546 3.620 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000491759254 1000094340 /nfs/dbraw/zinc/09/43/40/1000094340.db2.gz TWGHVSZHXADJKU-UHFFFAOYSA-N 1 0 403.526 3.591 20 30 HHEDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccccc2C1 ZINC000492250781 1000117868 /nfs/dbraw/zinc/11/78/68/1000117868.db2.gz GSJAHGLKEYQQBN-NZQKXSOJSA-N 1 0 406.505 3.749 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492696215 1000139622 /nfs/dbraw/zinc/13/96/22/1000139622.db2.gz MVJFQUIOBFVLAM-IYBDPMFKSA-N 1 0 406.368 3.642 20 30 HHEDRO C[C@@H]1[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000494019530 1000271047 /nfs/dbraw/zinc/27/10/47/1000271047.db2.gz USNXDYYTSRKLLY-AUSIDOKSSA-N 1 0 413.525 3.857 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)CC1 ZINC000504614195 1000293032 /nfs/dbraw/zinc/29/30/32/1000293032.db2.gz NMGOOHWEHBGIQG-UHFFFAOYSA-N 1 0 415.513 3.572 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000494079737 1000298475 /nfs/dbraw/zinc/29/84/75/1000298475.db2.gz OXUMYJLYKYAWLO-RPWUZVMVSA-N 1 0 403.526 3.586 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504896636 1000434451 /nfs/dbraw/zinc/43/44/51/1000434451.db2.gz UOCBDVGYNKBTFY-JOCHJYFZSA-N 1 0 408.571 3.755 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000494465354 1000507095 /nfs/dbraw/zinc/50/70/95/1000507095.db2.gz BAIYOUKJDMGCCB-PZJWPPBQSA-N 1 0 419.859 3.985 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494468901 1000508892 /nfs/dbraw/zinc/50/88/92/1000508892.db2.gz SMAHYPOERCBYHK-JVMOKEISSA-N 1 0 417.481 3.833 20 30 HHEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3cccc4c3C[N@H+](CC(C)C)C4)cc2C1=O ZINC000494505756 1000529793 /nfs/dbraw/zinc/52/97/93/1000529793.db2.gz IKPDKBXTSQVBIR-UHFFFAOYSA-N 1 0 403.482 3.693 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000505071486 1000536033 /nfs/dbraw/zinc/53/60/33/1000536033.db2.gz MWTMSHJLSACHLB-UHFFFAOYSA-N 1 0 406.505 3.646 20 30 HHEDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494626517 1000579115 /nfs/dbraw/zinc/57/91/15/1000579115.db2.gz QIPDNKJDYXZJDU-BBRMVZONSA-N 1 0 403.573 3.909 20 30 HHEDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494884666 1000711640 /nfs/dbraw/zinc/71/16/40/1000711640.db2.gz BOTBAWYGPJHXCC-ZWKOTPCHSA-N 1 0 400.567 3.724 20 30 HHEDRO N#Cc1cccc(NCC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000494978173 1000760431 /nfs/dbraw/zinc/76/04/31/1000760431.db2.gz SKNGECCFHMMJBN-UHFFFAOYSA-N 1 0 404.558 3.821 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000505593996 1000925808 /nfs/dbraw/zinc/92/58/08/1000925808.db2.gz POGSUNQLEVRFHI-UHFFFAOYSA-N 1 0 420.557 3.904 20 30 HHEDRO C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505634010 1000946056 /nfs/dbraw/zinc/94/60/56/1000946056.db2.gz QHNBXCKLDYRTRQ-CYFREDJKSA-N 1 0 406.530 3.521 20 30 HHEDRO COc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC)[NH+]2CCCCC2)cc1 ZINC000495433111 1001010659 /nfs/dbraw/zinc/01/06/59/1001010659.db2.gz NCDJDFGCNJXCER-NRFANRHFSA-N 1 0 408.502 3.924 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000496125488 1001128062 /nfs/dbraw/zinc/12/80/62/1001128062.db2.gz BUXSVVGBBLMQIW-FPOVZHCZSA-N 1 0 421.541 3.607 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000496191565 1001138181 /nfs/dbraw/zinc/13/81/81/1001138181.db2.gz XLFUMOBGYVFISB-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(-c2ccccc2)n1 ZINC000506126030 1001235612 /nfs/dbraw/zinc/23/56/12/1001235612.db2.gz QNCNCTJIVACOCD-FQEVSTJZSA-N 1 0 411.513 3.886 20 30 HHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000506183760 1001265516 /nfs/dbraw/zinc/26/55/16/1001265516.db2.gz SJPFUEFNBQGPFX-XMMPIXPASA-N 1 0 413.562 3.940 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccc(Cl)cc1 ZINC000506230725 1001294721 /nfs/dbraw/zinc/29/47/21/1001294721.db2.gz GJVVKMPMRVNWOG-FQEVSTJZSA-N 1 0 412.921 3.658 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OC3CCCCC3)CC2)c(OC)c1 ZINC000497376631 1001319865 /nfs/dbraw/zinc/31/98/65/1001319865.db2.gz MDXRTCLWFUDXEW-FQEVSTJZSA-N 1 0 403.563 3.977 20 30 HHEDRO C[N@@H+]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000497402449 1001340380 /nfs/dbraw/zinc/34/03/80/1001340380.db2.gz CQJPTXFSIVQSHG-DNQXCXABSA-N 1 0 411.505 3.965 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1)CC1CC1 ZINC000497438332 1001365177 /nfs/dbraw/zinc/36/51/77/1001365177.db2.gz SQHZTNVZDFMROK-UHFFFAOYSA-N 1 0 408.468 3.946 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000506492584 1001437973 /nfs/dbraw/zinc/43/79/73/1001437973.db2.gz UYLJDXYMXYRUMQ-INIZCTEOSA-N 1 0 400.498 3.896 20 30 HHEDRO C[NH+](C)CCOc1cc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccn1 ZINC000497613018 1001458644 /nfs/dbraw/zinc/45/86/44/1001458644.db2.gz VBQCMPVNNZLIMD-UHFFFAOYSA-N 1 0 416.481 3.725 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1Cl ZINC000506781105 1001526916 /nfs/dbraw/zinc/52/69/16/1001526916.db2.gz RJPKRLLQTOYXBR-UHFFFAOYSA-N 1 0 419.957 3.569 20 30 HHEDRO C[C@@H](SCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000497888332 1001551444 /nfs/dbraw/zinc/55/14/44/1001551444.db2.gz CVQUVQYXQVJMNO-QGZVFWFLSA-N 1 0 421.570 3.819 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)C(C)C ZINC000498358709 1001794107 /nfs/dbraw/zinc/79/41/07/1001794107.db2.gz HDPIHYMPBYMPIV-LJQANCHMSA-N 1 0 415.969 3.966 20 30 HHEDRO C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498381403 1001811349 /nfs/dbraw/zinc/81/13/49/1001811349.db2.gz BKCDOBCZZONZEM-ZBFHGGJFSA-N 1 0 402.420 3.612 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)C(C)C ZINC000507111520 1001816632 /nfs/dbraw/zinc/81/66/32/1001816632.db2.gz KFKLXJDMLACJJG-IRLDBZIGSA-N 1 0 413.610 3.807 20 30 HHEDRO C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(C#N)c1 ZINC000507286930 1001970940 /nfs/dbraw/zinc/97/09/40/1001970940.db2.gz WDNLSCBZXCJBBV-RDPSFJRHSA-N 1 0 417.553 3.707 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000507321680 1002000495 /nfs/dbraw/zinc/00/04/95/1002000495.db2.gz YEVDEWXLOFLGML-JOCHJYFZSA-N 1 0 418.541 3.776 20 30 HHEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507410879 1002056799 /nfs/dbraw/zinc/05/67/99/1002056799.db2.gz ZIFNJRUBCPXSOU-FPOVZHCZSA-N 1 0 407.514 3.682 20 30 HHEDRO CCNC(=O)COc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1OC ZINC000507653017 1002251391 /nfs/dbraw/zinc/25/13/91/1002251391.db2.gz ZSLWCRMUSQPVHH-UHFFFAOYSA-N 1 0 421.541 3.704 20 30 HHEDRO C[C@H]([NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000507708128 1002298704 /nfs/dbraw/zinc/29/87/04/1002298704.db2.gz MVBRWQWTPVOQAX-REWPJTCUSA-N 1 0 414.509 3.515 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507768443 1002334626 /nfs/dbraw/zinc/33/46/26/1002334626.db2.gz ALCDCLPBDNQDBM-QFIPXVFZSA-N 1 0 412.505 3.645 20 30 HHEDRO C=CCc1cc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000507833273 1002375484 /nfs/dbraw/zinc/37/54/84/1002375484.db2.gz KVNAORVWNZVXPO-RXVVDRJESA-N 1 0 400.906 3.844 20 30 HHEDRO COc1ccc([C@H](CO)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000499018350 1002395759 /nfs/dbraw/zinc/39/57/59/1002395759.db2.gz CKFRCBUCXGLGOK-IBGZPJMESA-N 1 0 413.543 3.501 20 30 HHEDRO COc1ccc([C@@H](CO)N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000499020415 1002396619 /nfs/dbraw/zinc/39/66/19/1002396619.db2.gz JSVAJCVVCJFUAH-OXQOHEQNSA-N 1 0 413.543 3.551 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499126765 1002511300 /nfs/dbraw/zinc/51/13/00/1002511300.db2.gz MXVPDFJCOHVHPQ-XXBNENTESA-N 1 0 411.546 3.770 20 30 HHEDRO N#CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000508013196 1002537832 /nfs/dbraw/zinc/53/78/32/1002537832.db2.gz GXMGZZLUZYZRBQ-UHFFFAOYSA-N 1 0 413.525 3.812 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000508201921 1002736275 /nfs/dbraw/zinc/73/62/75/1002736275.db2.gz CFQYSGJDWMBWLN-UHFFFAOYSA-N 1 0 418.541 3.907 20 30 HHEDRO CC1(C)C[N@H+](CCCC2(C#N)CCOCC2)CCN1CCCC1(C#N)CCOCC1 ZINC000499553007 1002935594 /nfs/dbraw/zinc/93/55/94/1002935594.db2.gz OTJSBWZXMJPFNQ-UHFFFAOYSA-N 1 0 416.610 3.584 20 30 HHEDRO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508462129 1002947515 /nfs/dbraw/zinc/94/75/15/1002947515.db2.gz SPJZKJDHQRUTPV-UHFFFAOYSA-N 1 0 409.578 3.632 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000508463224 1002948081 /nfs/dbraw/zinc/94/80/81/1002948081.db2.gz FFGMSXSRNWKDDU-UHFFFAOYSA-N 1 0 421.520 3.547 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508476805 1002960708 /nfs/dbraw/zinc/96/07/08/1002960708.db2.gz HKXVROWYWMCCLU-MRXNPFEDSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508476022 1002960895 /nfs/dbraw/zinc/96/08/95/1002960895.db2.gz AHBRVJTYDHAEJK-UNMCSNQZSA-N 1 0 402.546 3.950 20 30 HHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000508477968 1002962458 /nfs/dbraw/zinc/96/24/58/1002962458.db2.gz OGERZFYBFHSNPI-UHFFFAOYSA-N 1 0 401.599 3.526 20 30 HHEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508481410 1002966121 /nfs/dbraw/zinc/96/61/21/1002966121.db2.gz QLWMYCILPZAOLA-SFHVURJKSA-N 1 0 416.367 3.958 20 30 HHEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000499604970 1002977812 /nfs/dbraw/zinc/97/78/12/1002977812.db2.gz XNSUCYBWLHGQDP-CQSZACIVSA-N 1 0 409.324 3.971 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000508509289 1002991806 /nfs/dbraw/zinc/99/18/06/1002991806.db2.gz NHLUMPXDYCIJDI-UHFFFAOYSA-N 1 0 422.360 3.739 20 30 HHEDRO COCC[N@H+](C)CCCC1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000499653664 1003014343 /nfs/dbraw/zinc/01/43/43/1003014343.db2.gz OMHLSLTWCVGBAC-UHFFFAOYSA-N 1 0 402.489 3.959 20 30 HHEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508803349 1003231059 /nfs/dbraw/zinc/23/10/59/1003231059.db2.gz WOSXLOPQPHTTBN-UHFFFAOYSA-N 1 0 403.983 3.942 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508819154 1003243464 /nfs/dbraw/zinc/24/34/64/1003243464.db2.gz XMVFKFVVJTUIPA-NFBKMPQASA-N 1 0 421.589 3.711 20 30 HHEDRO C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508842440 1003262895 /nfs/dbraw/zinc/26/28/95/1003262895.db2.gz BLZANNBZAWUSIA-WZONZLPQSA-N 1 0 406.530 3.802 20 30 HHEDRO C=CC[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508855404 1003275481 /nfs/dbraw/zinc/27/54/81/1003275481.db2.gz JGZTZNOCNUVPRC-DVECYGJZSA-N 1 0 419.529 3.969 20 30 HHEDRO C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000508861738 1003282019 /nfs/dbraw/zinc/28/20/19/1003282019.db2.gz DUUDODYNNOXKOD-UHFFFAOYSA-N 1 0 403.530 3.585 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508874601 1003294866 /nfs/dbraw/zinc/29/48/66/1003294866.db2.gz RMPZSIJSNWILGW-QGZVFWFLSA-N 1 0 403.477 3.797 20 30 HHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508882386 1003305193 /nfs/dbraw/zinc/30/51/93/1003305193.db2.gz WYZMSJVFAKHBKU-LJQANCHMSA-N 1 0 402.546 3.992 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000499998197 1003315819 /nfs/dbraw/zinc/31/58/19/1003315819.db2.gz GXDMTNZQMOTGIL-JXFKEZNVSA-N 1 0 424.932 3.834 20 30 HHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000508893229 1003322474 /nfs/dbraw/zinc/32/24/74/1003322474.db2.gz FRXDMVKCCZXWFA-SFHVURJKSA-N 1 0 408.550 3.550 20 30 HHEDRO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508896424 1003326587 /nfs/dbraw/zinc/32/65/87/1003326587.db2.gz SMLCBRWYHPKVIS-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[NH+](C)C ZINC000508898438 1003330118 /nfs/dbraw/zinc/33/01/18/1003330118.db2.gz QCRRZBNCXSYNQC-NMNUPHIUSA-N 1 0 406.530 3.641 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000508920197 1003358441 /nfs/dbraw/zinc/35/84/41/1003358441.db2.gz IVDMDDHSAMTBOK-UHFFFAOYSA-N 1 0 417.557 3.812 20 30 HHEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000508965445 1003430633 /nfs/dbraw/zinc/43/06/33/1003430633.db2.gz WHRDGPMFVSNBOH-UHFFFAOYSA-N 1 0 409.578 3.730 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000509067025 1003528411 /nfs/dbraw/zinc/52/84/11/1003528411.db2.gz VLSPMBIPXDZGFO-LJQANCHMSA-N 1 0 400.906 3.633 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)CSc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000500504107 1003750700 /nfs/dbraw/zinc/75/07/00/1003750700.db2.gz RXBIAKYPTLOZFM-GOSISDBHSA-N 1 0 409.555 3.667 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000509370950 1003799605 /nfs/dbraw/zinc/79/96/05/1003799605.db2.gz HKIDQCMSCXYFDW-XMMPIXPASA-N 1 0 420.557 3.976 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1OCC ZINC000509420705 1003848543 /nfs/dbraw/zinc/84/85/43/1003848543.db2.gz ZQJGHXGQVDEDOZ-SJORKVTESA-N 1 0 423.351 3.656 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000500749585 1003935401 /nfs/dbraw/zinc/93/54/01/1003935401.db2.gz LJZQVWIJOONQCM-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000500767162 1003945371 /nfs/dbraw/zinc/94/53/71/1003945371.db2.gz LDAYUZDFQKXATL-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509570988 1003952209 /nfs/dbraw/zinc/95/22/09/1003952209.db2.gz RGFSYNRPSGHCHI-DYESRHJHSA-N 1 0 410.518 3.833 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500834224 1003990787 /nfs/dbraw/zinc/99/07/87/1003990787.db2.gz ABILOEDQUBBSPL-WIYYLYMNSA-N 1 0 407.514 3.678 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000509785844 1004095566 /nfs/dbraw/zinc/09/55/66/1004095566.db2.gz JRBZYXYDIZTCGC-JOCHJYFZSA-N 1 0 410.493 3.553 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000512196129 1004097470 /nfs/dbraw/zinc/09/74/70/1004097470.db2.gz MAPZPIRUJOJGMX-RUZDIDTESA-N 1 0 405.517 3.875 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000501019281 1004121443 /nfs/dbraw/zinc/12/14/43/1004121443.db2.gz KBTVWMFIYSHIQU-QGZVFWFLSA-N 1 0 407.555 3.504 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C2(CO)Cc3ccccc3C2)c1C#N ZINC000512314599 1004210122 /nfs/dbraw/zinc/21/01/22/1004210122.db2.gz OWYYKVGNLQQCIN-UHFFFAOYSA-N 1 0 420.557 3.540 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1OC ZINC000509944591 1004224058 /nfs/dbraw/zinc/22/40/58/1004224058.db2.gz PFGGZZRGXVCSDP-MRXNPFEDSA-N 1 0 406.324 3.923 20 30 HHEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc(OCCCC#N)c3)[C@@H](C)C2)cc1 ZINC000512395434 1004268393 /nfs/dbraw/zinc/26/83/93/1004268393.db2.gz VMUIMRYLPXHZPE-IBGZPJMESA-N 1 0 407.514 3.866 20 30 HHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000512401464 1004272061 /nfs/dbraw/zinc/27/20/61/1004272061.db2.gz ZEOPUAXKFBOZKU-UHFFFAOYSA-N 1 0 401.466 3.687 20 30 HHEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000501218980 1004288456 /nfs/dbraw/zinc/28/84/56/1004288456.db2.gz RSZPQORSVHZTGF-UHFFFAOYSA-N 1 0 403.526 3.970 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCOCC1)c1ccccc1 ZINC000512516180 1004355331 /nfs/dbraw/zinc/35/53/31/1004355331.db2.gz BECQDGMYHIPYGU-SFHVURJKSA-N 1 0 423.532 3.991 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc(OC)c1O ZINC000512552379 1004380135 /nfs/dbraw/zinc/38/01/35/1004380135.db2.gz NGZOVJXDMZFCJP-UHFFFAOYSA-N 1 0 406.486 3.954 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NCC[N@@H+]1CCc2sccc2C1 ZINC000512553593 1004381237 /nfs/dbraw/zinc/38/12/37/1004381237.db2.gz GSIHMZXBYGFNFR-UHFFFAOYSA-N 1 0 400.454 3.661 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C#N ZINC000512573036 1004394221 /nfs/dbraw/zinc/39/42/21/1004394221.db2.gz KHLZFRKCUOMFGU-PMSBKCLSSA-N 1 0 423.536 3.600 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501520787 1004486283 /nfs/dbraw/zinc/48/62/83/1004486283.db2.gz WZMIILXCESLHOB-MRXNPFEDSA-N 1 0 403.276 3.822 20 30 HHEDRO COc1ccccc1[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)[NH+](C)C ZINC000512712425 1004511306 /nfs/dbraw/zinc/51/13/06/1004511306.db2.gz QQGQMSHEVRXZFV-LJQANCHMSA-N 1 0 412.440 3.853 20 30 HHEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccco1 ZINC000510399405 1004536482 /nfs/dbraw/zinc/53/64/82/1004536482.db2.gz YUELBJQRMKZXKM-LRDDRELGSA-N 1 0 415.437 3.578 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000501590539 1004538548 /nfs/dbraw/zinc/53/85/48/1004538548.db2.gz GEBMYSPECRIHMF-PMACEKPBSA-N 1 0 418.541 3.788 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000512777201 1004553907 /nfs/dbraw/zinc/55/39/07/1004553907.db2.gz AWZXRBFINXUZJO-IBGZPJMESA-N 1 0 416.529 3.578 20 30 HHEDRO N#CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c(-c2ccccc2)n1 ZINC000510459644 1004581252 /nfs/dbraw/zinc/58/12/52/1004581252.db2.gz VJVIQTACOZJQLT-UHFFFAOYSA-N 1 0 419.554 3.873 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)N3CCCc4ccccc43)CC2)c(F)c1 ZINC000512824222 1004582637 /nfs/dbraw/zinc/58/26/37/1004582637.db2.gz PLJASQNCGVUJMC-UHFFFAOYSA-N 1 0 407.489 3.910 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000501689415 1004606950 /nfs/dbraw/zinc/60/69/50/1004606950.db2.gz OYSRQBNTSQDXMC-ZTCOLXNVSA-N 1 0 419.569 3.837 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn3ccccc23)cc1OC ZINC000512865990 1004627401 /nfs/dbraw/zinc/62/74/01/1004627401.db2.gz XCYZSPFMWJCMPT-UHFFFAOYSA-N 1 0 402.292 3.960 20 30 HHEDRO C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510521341 1004647058 /nfs/dbraw/zinc/64/70/58/1004647058.db2.gz FVRMOLZESVBSMS-MJGOQNOKSA-N 1 0 400.592 3.744 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000513086779 1004798457 /nfs/dbraw/zinc/79/84/57/1004798457.db2.gz AXUSUCVPVGEEQP-LJQANCHMSA-N 1 0 422.464 3.825 20 30 HHEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000513120289 1004817673 /nfs/dbraw/zinc/81/76/73/1004817673.db2.gz LXPVXACNMYQSAN-LJQANCHMSA-N 1 0 414.571 3.962 20 30 HHEDRO CC(C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCC(C)CC1 ZINC000510842414 1004886546 /nfs/dbraw/zinc/88/65/46/1004886546.db2.gz OZBFHFUNDJYJBC-QHCPKHFHSA-N 1 0 412.578 3.868 20 30 HHEDRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000502153001 1004926053 /nfs/dbraw/zinc/92/60/53/1004926053.db2.gz DRQWRGVOBGJZRQ-IAGOWNOFSA-N 1 0 422.504 3.614 20 30 HHEDRO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177780 1004941112 /nfs/dbraw/zinc/94/11/12/1004941112.db2.gz QZZBORNLCZHIDP-MSOLQXFVSA-N 1 0 416.525 3.575 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000502263806 1004983976 /nfs/dbraw/zinc/98/39/76/1004983976.db2.gz ASRJUMDALCFNHI-UHFFFAOYSA-N 1 0 409.408 3.807 20 30 HHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC2CCN(c3ccccn3)CC2)c1 ZINC000513498461 1004991383 /nfs/dbraw/zinc/99/13/83/1004991383.db2.gz ILLMANXJJQIJQK-UHFFFAOYSA-N 1 0 412.493 3.931 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2=O)cc1 ZINC000511052898 1004998473 /nfs/dbraw/zinc/99/84/73/1004998473.db2.gz ZQUCHNMZLLXQBN-WOJBJXKFSA-N 1 0 410.315 3.699 20 30 HHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502319377 1005009312 /nfs/dbraw/zinc/00/93/12/1005009312.db2.gz PIPJJFUACZVOIC-UHFFFAOYSA-N 1 0 418.541 3.540 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](c2ccnn2C)C1 ZINC000511120827 1005028865 /nfs/dbraw/zinc/02/88/65/1005028865.db2.gz MXGIVRZUGBGIAJ-JKSUJKDBSA-N 1 0 411.575 3.829 20 30 HHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000502364054 1005036729 /nfs/dbraw/zinc/03/67/29/1005036729.db2.gz XXWUEVTXKNQQPT-HXUWFJFHSA-N 1 0 415.497 3.792 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000502408553 1005062708 /nfs/dbraw/zinc/06/27/08/1005062708.db2.gz UWHKPUTWKXTRMV-DEOSSOPVSA-N 1 0 406.574 3.763 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000513648480 1005065776 /nfs/dbraw/zinc/06/57/76/1005065776.db2.gz SGYQFYIADQRIJE-VWLOTQADSA-N 1 0 418.585 3.739 20 30 HHEDRO C[C@@H](CCOCc1ccccc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000513706509 1005090232 /nfs/dbraw/zinc/09/02/32/1005090232.db2.gz RFKJBFLJGIXPSM-NRFANRHFSA-N 1 0 420.557 3.771 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)ccc1Cl ZINC000513726740 1005098547 /nfs/dbraw/zinc/09/85/47/1005098547.db2.gz ABJKIYHVNJPVJR-HNNXBMFYSA-N 1 0 419.957 3.568 20 30 HHEDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 ZINC000502564535 1005120779 /nfs/dbraw/zinc/12/07/79/1005120779.db2.gz VRWJDVQALQOOEY-DENIHFKCSA-N 1 0 414.550 3.583 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@]3(Cc4ccc(Cl)cc4)CCOC3)C2=O)cc1 ZINC000502602563 1005135639 /nfs/dbraw/zinc/13/56/39/1005135639.db2.gz SRSNRMBERVGKHU-GGAORHGYSA-N 1 0 409.917 3.698 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000511353832 1005136259 /nfs/dbraw/zinc/13/62/59/1005136259.db2.gz RHJUBIWUROYBEY-HSZRJFAPSA-N 1 0 420.557 3.807 20 30 HHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000502722585 1005191269 /nfs/dbraw/zinc/19/12/69/1005191269.db2.gz RYBHDIFCXCLINS-UHFFFAOYSA-N 1 0 424.570 3.704 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)cc1OC ZINC000511504899 1005204009 /nfs/dbraw/zinc/20/40/09/1005204009.db2.gz CDAGGSYWDYUYOG-UHFFFAOYSA-N 1 0 415.921 3.871 20 30 HHEDRO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[NH+]1CCCC1 ZINC000511530171 1005212489 /nfs/dbraw/zinc/21/24/89/1005212489.db2.gz FUHIZSWOAXZYCJ-KRWDZBQOSA-N 1 0 405.502 3.664 20 30 HHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)nn1-c1cccc(C#N)c1 ZINC000502920928 1005275406 /nfs/dbraw/zinc/27/54/06/1005275406.db2.gz TZUYQQDXEOHWJH-UHFFFAOYSA-N 1 0 413.525 3.755 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511766479 1005314860 /nfs/dbraw/zinc/31/48/60/1005314860.db2.gz BZPXBECIEIXLTH-UTKZUKDTSA-N 1 0 417.887 3.962 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000503068300 1005335881 /nfs/dbraw/zinc/33/58/81/1005335881.db2.gz JRZQLEKKLAZZTP-HDDFQFQDSA-N 1 0 411.546 3.560 20 30 HHEDRO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000503159596 1005359410 /nfs/dbraw/zinc/35/94/10/1005359410.db2.gz YOAOVXGKDNCBSK-FQEVSTJZSA-N 1 0 413.525 3.789 20 30 HHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000503262407 1005379688 /nfs/dbraw/zinc/37/96/88/1005379688.db2.gz XIXBHTNPDJFYBI-INIZCTEOSA-N 1 0 416.576 3.555 20 30 HHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000503276995 1005382333 /nfs/dbraw/zinc/38/23/33/1005382333.db2.gz VXEWYGIEBSOZEX-FQEVSTJZSA-N 1 0 420.513 3.670 20 30 HHEDRO Cc1cc(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000503343241 1005394400 /nfs/dbraw/zinc/39/44/00/1005394400.db2.gz VVZAIVSAGJJNDX-GOSISDBHSA-N 1 0 401.514 3.693 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000503506528 1005439878 /nfs/dbraw/zinc/43/98/78/1005439878.db2.gz PYHRVRQGJFMJFX-APWZRJJASA-N 1 0 417.962 3.885 20 30 HHEDRO COc1sc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Br ZINC000503931037 1005514565 /nfs/dbraw/zinc/51/45/65/1005514565.db2.gz QCGOBPLNAFJIKI-MRXNPFEDSA-N 1 0 420.332 3.676 20 30 HHEDRO CNC(=O)COc1cccc(CNC(Nc2ccccc2)=[NH+]Cc2ccc(C)cc2)c1 ZINC000504401738 1005619397 /nfs/dbraw/zinc/61/93/97/1005619397.db2.gz QQJLEAUCXSVJPB-UHFFFAOYSA-N 1 0 416.525 3.878 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H]1c1ccccc1 ZINC000534017646 1005987687 /nfs/dbraw/zinc/98/76/87/1005987687.db2.gz FIGOPZKKGLLNOD-REWPJTCUSA-N 1 0 401.466 3.905 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N(C)c3ccccc3)CC2)c(OC)c1 ZINC000531207500 1006046975 /nfs/dbraw/zinc/04/69/75/1006046975.db2.gz CYPJCXFLOFABBV-QHCPKHFHSA-N 1 0 410.558 3.764 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000514708839 1006090460 /nfs/dbraw/zinc/09/04/60/1006090460.db2.gz QKRQVTVVLCGSFA-INIZCTEOSA-N 1 0 424.574 3.995 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000534211673 1006205886 /nfs/dbraw/zinc/20/58/86/1006205886.db2.gz KHKHCGNOWSXDIL-UHFFFAOYSA-N 1 0 413.905 3.581 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000514960798 1006219331 /nfs/dbraw/zinc/21/93/31/1006219331.db2.gz FOVXALMBFABWBV-JLAWEPINSA-N 1 0 419.639 3.668 20 30 HHEDRO CN1CCN([C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2cccs2)CC1 ZINC000515017930 1006252739 /nfs/dbraw/zinc/25/27/39/1006252739.db2.gz AIRPAAOKCAYOIM-SFHVURJKSA-N 1 0 408.493 3.717 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1C#N ZINC000534379070 1006348122 /nfs/dbraw/zinc/34/81/22/1006348122.db2.gz NYCHJWDRKXVUOX-JOCHJYFZSA-N 1 0 420.557 3.712 20 30 HHEDRO C=C(C)[C@H](CC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)OCC ZINC000534420008 1006394334 /nfs/dbraw/zinc/39/43/34/1006394334.db2.gz BDBHNFBQNJHLND-NRFANRHFSA-N 1 0 403.567 3.501 20 30 HHEDRO CC[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000515559599 1006535973 /nfs/dbraw/zinc/53/59/73/1006535973.db2.gz NNHQDXMGPOQCHC-QHCPKHFHSA-N 1 0 418.541 3.646 20 30 HHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc(OC)c1O ZINC000538328206 1006594814 /nfs/dbraw/zinc/59/48/14/1006594814.db2.gz ZDCSCYIFFKGZBY-UHFFFAOYSA-N 1 0 408.542 3.843 20 30 HHEDRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)cc1 ZINC000538396001 1006664944 /nfs/dbraw/zinc/66/49/44/1006664944.db2.gz VDHQNRNIKWPOSO-MRXNPFEDSA-N 1 0 403.573 3.688 20 30 HHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)c2cccs2)CC1 ZINC000534744782 1006735579 /nfs/dbraw/zinc/73/55/79/1006735579.db2.gz AGKHIFLTHFDBHD-LJQANCHMSA-N 1 0 421.563 3.651 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c1 ZINC000538534804 1006795853 /nfs/dbraw/zinc/79/58/53/1006795853.db2.gz XOKRUOIJGYTZEG-QFIPXVFZSA-N 1 0 417.484 3.710 20 30 HHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000534833132 1006846622 /nfs/dbraw/zinc/84/66/22/1006846622.db2.gz DYSFBTKAXGJXIE-UHFFFAOYSA-N 1 0 411.513 3.781 20 30 HHEDRO C[N@H+](Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000516087264 1006874930 /nfs/dbraw/zinc/87/49/30/1006874930.db2.gz GMGFUHPABYLMLG-UHFFFAOYSA-N 1 0 404.514 3.578 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)c1C#N ZINC000532553476 1006984848 /nfs/dbraw/zinc/98/48/48/1006984848.db2.gz CPVWAHYGPNZURL-NRFANRHFSA-N 1 0 423.536 3.604 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H]([NH+]4CCCCC4)C3)sc2C1 ZINC000532554530 1006986720 /nfs/dbraw/zinc/98/67/20/1006986720.db2.gz SBXDYPJJEBTSQZ-IRXDYDNUSA-N 1 0 400.592 3.633 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Oc3cccc(C#N)c3)CC1)CCC2 ZINC000532558187 1006991134 /nfs/dbraw/zinc/99/11/34/1006991134.db2.gz QBQCTPSOIUUWCG-UHFFFAOYSA-N 1 0 420.538 3.852 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000532566319 1006998545 /nfs/dbraw/zinc/99/85/45/1006998545.db2.gz QXCUTWWCHSWAGN-HXUWFJFHSA-N 1 0 417.431 3.780 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532572575 1007003722 /nfs/dbraw/zinc/00/37/22/1007003722.db2.gz BZVRLHUSTNMGPR-RBUKOAKNSA-N 1 0 400.592 3.827 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000532715580 1007127138 /nfs/dbraw/zinc/12/71/38/1007127138.db2.gz XVLYVMAAUBJEBA-IBGZPJMESA-N 1 0 422.554 3.564 20 30 HHEDRO COC(=O)CC1([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCCC1 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1 0 405.376 3.972 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3c(cnn3-c3ccccc3)C1)CCC2 ZINC000533019765 1007380000 /nfs/dbraw/zinc/38/00/00/1007380000.db2.gz ZBFQDUPHERAZRQ-UHFFFAOYSA-N 1 0 417.538 3.681 20 30 HHEDRO Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000517082816 1007398242 /nfs/dbraw/zinc/39/82/42/1007398242.db2.gz VFCAVKDYVHOIMS-UHFFFAOYSA-N 1 0 416.522 3.756 20 30 HHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533045015 1007406554 /nfs/dbraw/zinc/40/65/54/1007406554.db2.gz JGJKVBYKJYIZQS-KRWDZBQOSA-N 1 0 400.910 3.770 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000533048352 1007410974 /nfs/dbraw/zinc/41/09/74/1007410974.db2.gz OPFFCUXPYKLGHZ-UHFFFAOYSA-N 1 0 403.486 3.610 20 30 HHEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000517132187 1007446885 /nfs/dbraw/zinc/44/68/85/1007446885.db2.gz OMENHZIOXVDSGB-QZTJIDSGSA-N 1 0 408.502 3.971 20 30 HHEDRO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000517134749 1007448994 /nfs/dbraw/zinc/44/89/94/1007448994.db2.gz GYGCBKMBDBJRCW-LAEWNIMASA-N 1 0 422.525 3.883 20 30 HHEDRO COc1cc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000539253442 1007547126 /nfs/dbraw/zinc/54/71/26/1007547126.db2.gz FPIUEPWSTBUKEX-PXNSSMCTSA-N 1 0 410.514 3.979 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000539259271 1007554257 /nfs/dbraw/zinc/55/42/57/1007554257.db2.gz BPOUFGLVQLUUJB-MOPGFXCFSA-N 1 0 417.513 3.867 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)ccc1OCc1cccc(C#N)c1 ZINC000533265176 1007581078 /nfs/dbraw/zinc/58/10/78/1007581078.db2.gz YSYUYAHOSLMNGB-GOSISDBHSA-N 1 0 407.514 3.623 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000533277329 1007589585 /nfs/dbraw/zinc/58/95/85/1007589585.db2.gz FSOBJKCTKWRVOY-RTBURBONSA-N 1 0 400.592 3.970 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)c1C#N ZINC000533283979 1007596571 /nfs/dbraw/zinc/59/65/71/1007596571.db2.gz RIFIOAXUWQORGV-OAQYLSRUSA-N 1 0 411.594 3.981 20 30 HHEDRO N#Cc1c(NC(=O)CN2CCC[N@@H+](C3CCCC3)CC2)sc2c1CCCCC2 ZINC000533288886 1007600863 /nfs/dbraw/zinc/60/08/63/1007600863.db2.gz GFODFAQNGGODST-UHFFFAOYSA-N 1 0 400.592 3.777 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000539325100 1007623604 /nfs/dbraw/zinc/62/36/04/1007623604.db2.gz DMTAILWHJUYTQU-HNNXBMFYSA-N 1 0 402.491 3.611 20 30 HHEDRO C[NH+]1CCN(c2ccc(NCc3cccc(OCc4ccccc4C#N)c3)cn2)CC1 ZINC000533308868 1007625002 /nfs/dbraw/zinc/62/50/02/1007625002.db2.gz FRMKFMSMXVWRAE-UHFFFAOYSA-N 1 0 413.525 3.896 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000539329898 1007629894 /nfs/dbraw/zinc/62/98/94/1007629894.db2.gz FYPQVCFYSCVLAL-ZDUSSCGKSA-N 1 0 411.346 3.690 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000533343720 1007650689 /nfs/dbraw/zinc/65/06/89/1007650689.db2.gz BJZOOOQQMMEWRE-NRFANRHFSA-N 1 0 424.541 3.514 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)c1 ZINC000533360544 1007669341 /nfs/dbraw/zinc/66/93/41/1007669341.db2.gz NVJZJSTXRKZKCW-JOCHJYFZSA-N 1 0 420.488 3.543 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535675596 1007700702 /nfs/dbraw/zinc/70/07/02/1007700702.db2.gz LXNXMUOMWOADSM-LFRPXUGBSA-N 1 0 415.896 3.927 20 30 HHEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000533438530 1007753667 /nfs/dbraw/zinc/75/36/67/1007753667.db2.gz ICXOSSZKACWKOL-HNNXBMFYSA-N 1 0 415.987 3.596 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[NH+](C)C)cc1 ZINC000517599579 1007801607 /nfs/dbraw/zinc/80/16/07/1007801607.db2.gz IANOHRVWLSCVBU-REWPJTCUSA-N 1 0 423.536 3.577 20 30 HHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000533511258 1007829054 /nfs/dbraw/zinc/82/90/54/1007829054.db2.gz LFRPIPPRTQHGCD-UHFFFAOYSA-N 1 0 403.461 3.881 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000533512429 1007831146 /nfs/dbraw/zinc/83/11/46/1007831146.db2.gz LLVUTGUHQSKWLJ-SJBKTWHCSA-N 1 0 412.578 3.669 20 30 HHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533513489 1007832222 /nfs/dbraw/zinc/83/22/22/1007832222.db2.gz IQNKEDZJBZFRRR-JOCHJYFZSA-N 1 0 403.461 3.953 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000517781300 1007964233 /nfs/dbraw/zinc/96/42/33/1007964233.db2.gz PIDPTFJMANQZQN-UHFFFAOYSA-N 1 0 419.573 3.691 20 30 HHEDRO COC(=O)c1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000535962376 1007999017 /nfs/dbraw/zinc/99/90/17/1007999017.db2.gz DYMSUECSQFAPFA-ZJSXRUAMSA-N 1 0 403.526 3.831 20 30 HHEDRO COC(=O)c1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000535962365 1007999066 /nfs/dbraw/zinc/99/90/66/1007999066.db2.gz DYMSUECSQFAPFA-QPPBQGQZSA-N 1 0 403.526 3.831 20 30 HHEDRO N#Cc1ccccc1COc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000517840641 1008006617 /nfs/dbraw/zinc/00/66/17/1008006617.db2.gz UYMVHFMBJBRMAD-UHFFFAOYSA-N 1 0 419.525 3.512 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000517853112 1008014319 /nfs/dbraw/zinc/01/43/19/1008014319.db2.gz LUKBZKNRLSVHFP-ZWKOTPCHSA-N 1 0 420.513 3.668 20 30 HHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCC2(C#N)CCOCC2)c2ccccc2)c1 ZINC000539710854 1008028259 /nfs/dbraw/zinc/02/82/59/1008028259.db2.gz JROQHNOYTPJPLY-QFIPXVFZSA-N 1 0 412.555 3.870 20 30 HHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCC2(C#N)CCOCC2)c2ccccc2)c1 ZINC000539710853 1008028300 /nfs/dbraw/zinc/02/83/00/1008028300.db2.gz JROQHNOYTPJPLY-JOCHJYFZSA-N 1 0 412.555 3.870 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CC1 ZINC000517982159 1008085755 /nfs/dbraw/zinc/08/57/55/1008085755.db2.gz FRKZFZPMWPCNHG-UHFFFAOYSA-N 1 0 407.543 3.766 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000517997256 1008093302 /nfs/dbraw/zinc/09/33/02/1008093302.db2.gz BUFRBOUNLHBGKK-UHFFFAOYSA-N 1 0 405.970 3.728 20 30 HHEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539818567 1008113484 /nfs/dbraw/zinc/11/34/84/1008113484.db2.gz XPKADOAFWYNDQU-ZEQRLZLVSA-N 1 0 406.526 3.889 20 30 HHEDRO C[C@@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000539824141 1008117833 /nfs/dbraw/zinc/11/78/33/1008117833.db2.gz YNQMYMYODATODE-QFQXNSOFSA-N 1 0 418.585 3.595 20 30 HHEDRO COCC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000539828108 1008121963 /nfs/dbraw/zinc/12/19/63/1008121963.db2.gz AASRGZNQJINBEM-UHFFFAOYSA-N 1 0 418.497 3.841 20 30 HHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc1OC ZINC000539851076 1008139552 /nfs/dbraw/zinc/13/95/52/1008139552.db2.gz KMUNCAVACDGCBZ-KRWDZBQOSA-N 1 0 414.468 3.883 20 30 HHEDRO C=CCOc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)cc1OC ZINC000539862119 1008147170 /nfs/dbraw/zinc/14/71/70/1008147170.db2.gz HTOWGBJHYAJDJK-UHFFFAOYSA-N 1 0 413.514 3.887 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000539897399 1008171138 /nfs/dbraw/zinc/17/11/38/1008171138.db2.gz MDCWBTAAFQATIE-AEFFLSMTSA-N 1 0 409.368 3.939 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000518233430 1008218067 /nfs/dbraw/zinc/21/80/67/1008218067.db2.gz WFOSTCQKLKHFGX-GWJPWWOOSA-N 1 0 408.521 3.640 20 30 HHEDRO CC[N@H+](CCC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1)CC1CC1 ZINC000540050464 1008259272 /nfs/dbraw/zinc/25/92/72/1008259272.db2.gz SAPAAKUAELOKBH-UHFFFAOYSA-N 1 0 402.970 3.984 20 30 HHEDRO C=CCN(C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000540058095 1008264388 /nfs/dbraw/zinc/26/43/88/1008264388.db2.gz UIISYFYFUSQBLC-UHFFFAOYSA-N 1 0 410.484 3.578 20 30 HHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000518432761 1008303434 /nfs/dbraw/zinc/30/34/34/1008303434.db2.gz CVBULIBMUMESCU-UHFFFAOYSA-N 1 0 421.570 3.715 20 30 HHEDRO C=CCC[C@H](CCC)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000540173049 1008322152 /nfs/dbraw/zinc/32/21/52/1008322152.db2.gz KTQQGXOTVCLFSD-KRWDZBQOSA-N 1 0 410.580 3.581 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1)CC(C)C ZINC000540216130 1008339758 /nfs/dbraw/zinc/33/97/58/1008339758.db2.gz PUDSWLTZVLQICQ-UHFFFAOYSA-N 1 0 411.999 3.980 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000518581401 1008354144 /nfs/dbraw/zinc/35/41/44/1008354144.db2.gz VVGICSBHWMFPEH-UHFFFAOYSA-N 1 0 420.513 3.590 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000540422798 1008426682 /nfs/dbraw/zinc/42/66/82/1008426682.db2.gz WYWLHEHRFVLXFT-UHFFFAOYSA-N 1 0 407.514 3.703 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000518811309 1008428089 /nfs/dbraw/zinc/42/80/89/1008428089.db2.gz NNSAKVJCBFIJCH-HXUWFJFHSA-N 1 0 422.529 3.873 20 30 HHEDRO C=CC[N@H+](Cc1cn(C)nc1-c1cccs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481912 1008448952 /nfs/dbraw/zinc/44/89/52/1008448952.db2.gz QQAVPYBNRMQWPY-INIZCTEOSA-N 1 0 405.531 3.874 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1O2 ZINC000518963850 1008488765 /nfs/dbraw/zinc/48/87/65/1008488765.db2.gz QHSLJURLMYXJCO-OAQYLSRUSA-N 1 0 421.566 3.896 20 30 HHEDRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC(C)(C)[NH2+]1 ZINC000519088752 1008526531 /nfs/dbraw/zinc/52/65/31/1008526531.db2.gz NZCQYQRJFVPYBB-UHFFFAOYSA-N 1 0 420.513 3.714 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000519088807 1008527269 /nfs/dbraw/zinc/52/72/69/1008527269.db2.gz ROFXROYBGGXYHF-ROUUACIJSA-N 1 0 420.513 3.526 20 30 HHEDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000548950931 1008536318 /nfs/dbraw/zinc/53/63/18/1008536318.db2.gz ZUCIQEFTMDMXPI-LJQANCHMSA-N 1 0 417.347 3.822 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000548957244 1008541312 /nfs/dbraw/zinc/54/13/12/1008541312.db2.gz FLULRMUSRPGRDJ-PKTZIBPZSA-N 1 0 422.621 3.611 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc([S@@](C)=O)cc1 ZINC000542980323 1008556411 /nfs/dbraw/zinc/55/64/11/1008556411.db2.gz HGJOYQMZDSTUAS-YZCUQEPOSA-N 1 0 401.507 3.549 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CC2)c1 ZINC000519160687 1008569738 /nfs/dbraw/zinc/56/97/38/1008569738.db2.gz YXXMCBAHURYUCH-UHFFFAOYSA-N 1 0 421.566 3.791 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c2)c1 ZINC000519184056 1008584252 /nfs/dbraw/zinc/58/42/52/1008584252.db2.gz VYDDKOMOFIMHPM-JOCHJYFZSA-N 1 0 417.513 3.903 20 30 HHEDRO CC(C)COc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000543078391 1008656076 /nfs/dbraw/zinc/65/60/76/1008656076.db2.gz YGRGEENLNKQGGZ-UHFFFAOYSA-N 1 0 414.937 3.845 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000549320681 1008898463 /nfs/dbraw/zinc/89/84/63/1008898463.db2.gz CQCXMHDUUOTXIB-UHFFFAOYSA-N 1 0 413.541 3.517 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000519567189 1008910916 /nfs/dbraw/zinc/91/09/16/1008910916.db2.gz HNKYBSVFRJYCQT-CRAIPNDOSA-N 1 0 403.958 3.960 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000543348357 1008933479 /nfs/dbraw/zinc/93/34/79/1008933479.db2.gz BZMMCKGEERWHFU-KRWDZBQOSA-N 1 0 410.518 3.834 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000519783683 1009004322 /nfs/dbraw/zinc/00/43/22/1009004322.db2.gz AOUHSSFVPODRCG-CRAIPNDOSA-N 1 0 401.942 3.930 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000543461426 1009048344 /nfs/dbraw/zinc/04/83/44/1009048344.db2.gz FGFLPDLNDJSYPV-SNVBAGLBSA-N 1 0 413.469 3.902 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)CC3(C#N)CCCC3)cc2)C1 ZINC000546091632 1009116750 /nfs/dbraw/zinc/11/67/50/1009116750.db2.gz CWPFKXRHJYARNK-OALUTQOASA-N 1 0 403.592 3.668 20 30 HHEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2Cc2ccccc2)cc1 ZINC000549510489 1009118809 /nfs/dbraw/zinc/11/88/09/1009118809.db2.gz SCYRANSFBSHJNG-UHFFFAOYSA-N 1 0 412.541 3.930 20 30 HHEDRO Cc1ccccc1C1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000543554206 1009157520 /nfs/dbraw/zinc/15/75/20/1009157520.db2.gz OGLGDOUTZTXUIZ-QFIPXVFZSA-N 1 0 422.598 3.645 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1 ZINC000549594665 1009220870 /nfs/dbraw/zinc/22/08/70/1009220870.db2.gz IFHARDSXUKRDKN-IFMALSPDSA-N 1 0 422.577 3.554 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000546211933 1009237394 /nfs/dbraw/zinc/23/73/94/1009237394.db2.gz NMYNABWGFXVHIH-XMSQKQJNSA-N 1 0 422.598 3.687 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000549654351 1009282291 /nfs/dbraw/zinc/28/22/91/1009282291.db2.gz ONPXLOVJIFDNPI-HXUWFJFHSA-N 1 0 423.605 3.977 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549655357 1009283215 /nfs/dbraw/zinc/28/32/15/1009283215.db2.gz TVIJGMASWCQVQJ-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549675380 1009306801 /nfs/dbraw/zinc/30/68/01/1009306801.db2.gz HEWBTKPJXBBNEH-UHFFFAOYSA-N 1 0 413.566 3.799 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549676542 1009308146 /nfs/dbraw/zinc/30/81/46/1009308146.db2.gz UEFOJYZUIDVISZ-OAQYLSRUSA-N 1 0 409.578 3.788 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549699384 1009328650 /nfs/dbraw/zinc/32/86/50/1009328650.db2.gz OPGGCQFJROGVSI-RTBURBONSA-N 1 0 413.566 3.748 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CO)c2cccc(F)c2)sc2c1CCCCC2 ZINC000543811732 1009373608 /nfs/dbraw/zinc/37/36/08/1009373608.db2.gz WJICPVYTOSMSEL-SFHVURJKSA-N 1 0 401.507 3.680 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000549770579 1009383944 /nfs/dbraw/zinc/38/39/44/1009383944.db2.gz OMAJSNYNYSNINO-WZONZLPQSA-N 1 0 406.505 3.572 20 30 HHEDRO C=CC[N@H+](Cc1c(C)nn(-c2ccccn2)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000549802233 1009409294 /nfs/dbraw/zinc/40/92/94/1009409294.db2.gz WSUNLDCJHFEPHT-SFHVURJKSA-N 1 0 414.517 3.609 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549813393 1009420015 /nfs/dbraw/zinc/42/00/15/1009420015.db2.gz JSVLTEBCUBPCKI-UHFFFAOYSA-N 1 0 410.827 3.829 20 30 HHEDRO COc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)ccc1C#N ZINC000520299867 1009424911 /nfs/dbraw/zinc/42/49/11/1009424911.db2.gz VXCRXSOZVDPJBD-UHFFFAOYSA-N 1 0 406.530 3.942 20 30 HHEDRO COC(=O)C1(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCCCC1 ZINC000543873882 1009444017 /nfs/dbraw/zinc/44/40/17/1009444017.db2.gz NXXMMHFCMRRIOV-SFHVURJKSA-N 1 0 419.525 3.868 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543886567 1009462708 /nfs/dbraw/zinc/46/27/08/1009462708.db2.gz KPZPTHGRUONYRX-UHFFFAOYSA-N 1 0 424.455 3.618 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000543889789 1009468441 /nfs/dbraw/zinc/46/84/41/1009468441.db2.gz DZIZOQVCZMJGIA-UHFFFAOYSA-N 1 0 412.925 3.880 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)c(F)c1 ZINC000543890648 1009469336 /nfs/dbraw/zinc/46/93/36/1009469336.db2.gz LWMYYAOUIDTODL-UHFFFAOYSA-N 1 0 418.476 3.669 20 30 HHEDRO C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543943197 1009536912 /nfs/dbraw/zinc/53/69/12/1009536912.db2.gz QOFQRXMRRMTALX-IBGZPJMESA-N 1 0 419.573 3.611 20 30 HHEDRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC1 ZINC000549954668 1009562840 /nfs/dbraw/zinc/56/28/40/1009562840.db2.gz MAHQNWMZJIHHJT-UHFFFAOYSA-N 1 0 406.559 3.705 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2Cc2cccs2)c1 ZINC000549967935 1009574727 /nfs/dbraw/zinc/57/47/27/1009574727.db2.gz GTTMUQDGKUHULD-UHFFFAOYSA-N 1 0 404.543 3.601 20 30 HHEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000549987826 1009589629 /nfs/dbraw/zinc/58/96/29/1009589629.db2.gz NSNQUZYHDWUACV-FQEVSTJZSA-N 1 0 405.951 3.627 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550029766 1009626537 /nfs/dbraw/zinc/62/65/37/1009626537.db2.gz WKBZMDRRFIVBFI-FOIQADDNSA-N 1 0 409.933 3.603 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC2)c1 ZINC000520546537 1009631812 /nfs/dbraw/zinc/63/18/12/1009631812.db2.gz KZFVZCXKBNTXKI-NRFANRHFSA-N 1 0 421.516 3.979 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 ZINC000550037138 1009633016 /nfs/dbraw/zinc/63/30/16/1009633016.db2.gz MXFVTVFYYNASKD-IRLDBZIGSA-N 1 0 422.577 3.554 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)CC1 ZINC000520682852 1009753089 /nfs/dbraw/zinc/75/30/89/1009753089.db2.gz TXWVMKADAVDYQD-UHFFFAOYSA-N 1 0 419.569 3.849 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000550174808 1009753224 /nfs/dbraw/zinc/75/32/24/1009753224.db2.gz XKAPGAYNUGPNFH-UHFFFAOYSA-N 1 0 411.571 3.565 20 30 HHEDRO CS[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@@H]1[NH+](C)C ZINC000546843694 1009801713 /nfs/dbraw/zinc/80/17/13/1009801713.db2.gz BCGITNWHQXTESE-FCHUYYIVSA-N 1 0 424.570 3.955 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1C ZINC000520734621 1009803821 /nfs/dbraw/zinc/80/38/21/1009803821.db2.gz KXZKDZQYNAEYTJ-FQEVSTJZSA-N 1 0 405.546 3.827 20 30 HHEDRO C[N@H+](CCc1ccc(Br)cc1)CC(=O)N(CCC#N)c1ccccc1 ZINC000520746332 1009816286 /nfs/dbraw/zinc/81/62/86/1009816286.db2.gz ZKVQGXRKTUAFLP-UHFFFAOYSA-N 1 0 400.320 3.870 20 30 HHEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000544231904 1009842718 /nfs/dbraw/zinc/84/27/18/1009842718.db2.gz YMFZVWRBHBGRLT-UHFFFAOYSA-N 1 0 403.530 3.897 20 30 HHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H](C(F)(F)F)C1 ZINC000550346827 1009877594 /nfs/dbraw/zinc/87/75/94/1009877594.db2.gz WRZJJYRIYNYVKG-RTBURBONSA-N 1 0 423.479 3.837 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000544310187 1009933235 /nfs/dbraw/zinc/93/32/35/1009933235.db2.gz XBHCGTANVOQXNV-YLJYHZDGSA-N 1 0 408.502 3.540 20 30 HHEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000521265882 1010266700 /nfs/dbraw/zinc/26/67/00/1010266700.db2.gz UBEOUKZUPKWWJL-QZTJIDSGSA-N 1 0 404.514 3.606 20 30 HHEDRO CC(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCN(C)CC1 ZINC000521367054 1010336939 /nfs/dbraw/zinc/33/69/39/1010336939.db2.gz ZAOZJJVTVVKWIT-HSZRJFAPSA-N 1 0 421.545 3.744 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000521468732 1010390355 /nfs/dbraw/zinc/39/03/55/1010390355.db2.gz ICGMCYDLGVVDLX-ASPXRTSYSA-N 1 0 416.532 3.558 20 30 HHEDRO CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544897793 1010473717 /nfs/dbraw/zinc/47/37/17/1010473717.db2.gz QFCUXKFRVYKZDB-HXUWFJFHSA-N 1 0 408.571 3.837 20 30 HHEDRO CCN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544897778 1010473854 /nfs/dbraw/zinc/47/38/54/1010473854.db2.gz QFCUXKFRVYKZDB-FQEVSTJZSA-N 1 0 408.571 3.837 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1C ZINC000521689470 1010553352 /nfs/dbraw/zinc/55/33/52/1010553352.db2.gz MMTYXINWDQOKGL-NRFANRHFSA-N 1 0 405.546 3.781 20 30 HHEDRO C[NH+](C)Cc1cc(-c2noc(CCC(=O)N(CCC#N)c3ccccc3)n2)ccc1F ZINC000545024643 1010564649 /nfs/dbraw/zinc/56/46/49/1010564649.db2.gz CYSXUFIXMSPURL-UHFFFAOYSA-N 1 0 421.476 3.817 20 30 HHEDRO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccc(C#N)c1 ZINC000521711266 1010566872 /nfs/dbraw/zinc/56/68/72/1010566872.db2.gz SBCCGAHBVLLRKE-UHFFFAOYSA-N 1 0 402.498 3.702 20 30 HHEDRO Cc1c2c(nc(S[C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c1C#N)CCC2 ZINC000521799332 1010626933 /nfs/dbraw/zinc/62/69/33/1010626933.db2.gz WMNOBMLPJJFSQP-MJGOQNOKSA-N 1 0 420.582 3.622 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000521807231 1010633055 /nfs/dbraw/zinc/63/30/55/1010633055.db2.gz HOELVQAUZSCGST-JLHGSKIFSA-N 1 0 416.591 3.646 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000521821763 1010642273 /nfs/dbraw/zinc/64/22/73/1010642273.db2.gz UWHGDULNXNEIFF-NRFANRHFSA-N 1 0 404.558 3.674 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000521847291 1010657086 /nfs/dbraw/zinc/65/70/86/1010657086.db2.gz LLHZUGSCHNUBRV-QFIPXVFZSA-N 1 0 402.494 3.995 20 30 HHEDRO CC1(c2ccccc2)CC(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000545245056 1010700978 /nfs/dbraw/zinc/70/09/78/1010700978.db2.gz JHVARXOSQJXNRU-UHFFFAOYSA-N 1 0 402.542 3.896 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@@H]1c1cccs1 ZINC000548906533 1010757017 /nfs/dbraw/zinc/75/70/17/1010757017.db2.gz PXWWURRNRILJMO-WIYYLYMNSA-N 1 0 423.586 3.793 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](c2cncc(Br)c2)C2CC2)c(C#N)c1C ZINC000551719254 1010760060 /nfs/dbraw/zinc/76/00/60/1010760060.db2.gz TYUPSLYEUFRIHS-GTNSWQLSSA-N 1 0 417.307 3.994 20 30 HHEDRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000548937005 1010769886 /nfs/dbraw/zinc/76/98/86/1010769886.db2.gz ROMTXSLVLAEZIK-LBPRGKRZSA-N 1 0 404.392 3.825 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000522205666 1010864757 /nfs/dbraw/zinc/86/47/57/1010864757.db2.gz UJHQHYHQGKEJEJ-DHIUTWEWSA-N 1 0 415.581 3.717 20 30 HHEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000522218646 1010872373 /nfs/dbraw/zinc/87/23/73/1010872373.db2.gz XYQYOLCBHWMJKJ-UHFFFAOYSA-N 1 0 408.521 3.892 20 30 HHEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000540589801 1011246656 /nfs/dbraw/zinc/24/66/56/1011246656.db2.gz LRHZKTXDBFKODS-YEJXKQKISA-N 1 0 423.538 3.948 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000540591691 1011249060 /nfs/dbraw/zinc/24/90/60/1011249060.db2.gz KJZZEPXMEQKETR-XZOQPEGZSA-N 1 0 408.521 3.584 20 30 HHEDRO CSCC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000540597443 1011253083 /nfs/dbraw/zinc/25/30/83/1011253083.db2.gz OVVZIIMVAHVRDA-OAQYLSRUSA-N 1 0 420.586 3.649 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1OC1CCC1 ZINC000522827899 1011263850 /nfs/dbraw/zinc/26/38/50/1011263850.db2.gz HBRYYYKAWXXPDA-UHFFFAOYSA-N 1 0 406.530 3.763 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000540979638 1011611937 /nfs/dbraw/zinc/61/19/37/1011611937.db2.gz JKDDIYJWVLIMQD-FUHWJXTLSA-N 1 0 418.476 3.668 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000540988948 1011621894 /nfs/dbraw/zinc/62/18/94/1011621894.db2.gz OGQGXFDIAUISCS-IBGZPJMESA-N 1 0 411.468 3.829 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000536535783 1011723168 /nfs/dbraw/zinc/72/31/68/1011723168.db2.gz CTLPAQVNBXCHIY-UHFFFAOYSA-N 1 0 420.532 3.938 20 30 HHEDRO N#Cc1cccc(C(=O)Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000523257315 1011739562 /nfs/dbraw/zinc/73/95/62/1011739562.db2.gz QOCFVFGMLZLVSJ-UHFFFAOYSA-N 1 0 411.509 3.570 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)n2)c(F)c1 ZINC000541103926 1011750675 /nfs/dbraw/zinc/75/06/75/1011750675.db2.gz UXVQJLDUGZGJOC-UHFFFAOYSA-N 1 0 410.497 3.659 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCOc4ccccc43)CC2)cc1 ZINC000523368187 1011847678 /nfs/dbraw/zinc/84/76/78/1011847678.db2.gz NPTSLTBJSABKIK-JOCHJYFZSA-N 1 0 404.514 3.689 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2cccnc2)c1C#N ZINC000541190640 1011862742 /nfs/dbraw/zinc/86/27/42/1011862742.db2.gz TWMGFRAKCKFFOS-INIZCTEOSA-N 1 0 405.477 3.848 20 30 HHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(C#N)c1C ZINC000552058518 1012076512 /nfs/dbraw/zinc/07/65/12/1012076512.db2.gz MMLXBQBIJUFKRT-ZUSMLRIVSA-N 1 0 403.429 3.963 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000552067545 1012084451 /nfs/dbraw/zinc/08/44/51/1012084451.db2.gz OGNSTROHRUDZPH-NRFANRHFSA-N 1 0 412.896 3.715 20 30 HHEDRO Cc1cc(Br)cc2cc([C@@H]([NH2+]CCn3cnc(C#N)n3)C(C)C)oc21 ZINC000552097591 1012114542 /nfs/dbraw/zinc/11/45/42/1012114542.db2.gz IMXCOOYWLBXZSZ-KRWDZBQOSA-N 1 0 402.296 3.954 20 30 HHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)Cc3c(F)cccc3C#N)cc2)C[C@H]1C ZINC000552138239 1012157509 /nfs/dbraw/zinc/15/75/09/1012157509.db2.gz JUAGGADCVNLFLS-RTBURBONSA-N 1 0 423.532 3.565 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc(OC)c1OC ZINC000523598258 1012161281 /nfs/dbraw/zinc/16/12/81/1012161281.db2.gz CRADGFOKZAFBOO-OAQYLSRUSA-N 1 0 411.546 3.843 20 30 HHEDRO CCc1cccc2c1OCC[C@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000523626614 1012207526 /nfs/dbraw/zinc/20/75/26/1012207526.db2.gz KRNFVJAVSJFYBE-JOCHJYFZSA-N 1 0 406.530 3.718 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000552199216 1012210464 /nfs/dbraw/zinc/21/04/64/1012210464.db2.gz QNPRLKUBVJZHTI-OAQYLSRUSA-N 1 0 417.465 3.549 20 30 HHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccc(C#N)cn4)cc3)CC2)c1 ZINC000523652697 1012245132 /nfs/dbraw/zinc/24/51/32/1012245132.db2.gz GHQCFTBLMIDQAH-UHFFFAOYSA-N 1 0 411.509 3.836 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)COc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000552252475 1012262668 /nfs/dbraw/zinc/26/26/68/1012262668.db2.gz ONGJRDUQEWVGKN-HXUWFJFHSA-N 1 0 419.447 3.575 20 30 HHEDRO N#Cc1ccccc1OCC[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000537017343 1012319040 /nfs/dbraw/zinc/31/90/40/1012319040.db2.gz UFTMVNNHTIJZFQ-IBGZPJMESA-N 1 0 417.431 3.909 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000541645928 1012467164 /nfs/dbraw/zinc/46/71/64/1012467164.db2.gz PWVSDQAYZASMKM-INIZCTEOSA-N 1 0 408.506 3.685 20 30 HHEDRO CC(C)([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000537134775 1012521934 /nfs/dbraw/zinc/52/19/34/1012521934.db2.gz HRRSSNVKYJAZEA-UHFFFAOYSA-N 1 0 410.386 3.976 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000537157062 1012552984 /nfs/dbraw/zinc/55/29/84/1012552984.db2.gz LXNCZSPWEJTHPB-NZQKXSOJSA-N 1 0 411.590 3.781 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000537247797 1012693451 /nfs/dbraw/zinc/69/34/51/1012693451.db2.gz HCDGIMXPDBDAMT-FGZHOGPDSA-N 1 0 420.582 3.609 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000552683882 1012694640 /nfs/dbraw/zinc/69/46/40/1012694640.db2.gz KGWJGDQSMYQZDP-IBGZPJMESA-N 1 0 415.921 3.798 20 30 HHEDRO CC(C)[NH+]1CCC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000552707280 1012718191 /nfs/dbraw/zinc/71/81/91/1012718191.db2.gz CLMSSXBKCAWVOX-UHFFFAOYSA-N 1 0 402.970 3.807 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000537278341 1012733064 /nfs/dbraw/zinc/73/30/64/1012733064.db2.gz DISNVMSENYJSBX-CKJXQJPGSA-N 1 0 403.548 3.731 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537290776 1012749857 /nfs/dbraw/zinc/74/98/57/1012749857.db2.gz KOCRHWMWRJTUAL-RTWAWAEBSA-N 1 0 408.571 3.754 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(C(=O)c4ccccc4F)CC3)CC2)cc1 ZINC000537296595 1012753766 /nfs/dbraw/zinc/75/37/66/1012753766.db2.gz XRJHKDBLYAYXOA-UHFFFAOYSA-N 1 0 420.532 3.556 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000541906389 1012765348 /nfs/dbraw/zinc/76/53/48/1012765348.db2.gz GIDPSYKWEOLTES-CALCHBBNSA-N 1 0 412.513 3.763 20 30 HHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552814090 1012821212 /nfs/dbraw/zinc/82/12/12/1012821212.db2.gz CGWVILINFDXSAF-KRWDZBQOSA-N 1 0 402.970 3.809 20 30 HHEDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000541981063 1012852813 /nfs/dbraw/zinc/85/28/13/1012852813.db2.gz LIYLMKKEYYVTDG-JOCHJYFZSA-N 1 0 408.546 3.916 20 30 HHEDRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541994801 1012873005 /nfs/dbraw/zinc/87/30/05/1012873005.db2.gz BCOZCHDNOKQGQN-SFHVURJKSA-N 1 0 415.541 3.955 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[NH+](C)C)cc1 ZINC000542034543 1012932700 /nfs/dbraw/zinc/93/27/00/1012932700.db2.gz ICJQUZUJUXLQHH-HXUWFJFHSA-N 1 0 406.465 3.616 20 30 HHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3cccc(Br)c3)cc2)CC1 ZINC000524163130 1012955119 /nfs/dbraw/zinc/95/51/19/1012955119.db2.gz ILGJVEZDVLXGBG-UHFFFAOYSA-N 1 0 414.303 3.959 20 30 HHEDRO Cc1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)nn1CCC#N ZINC000537513499 1013026512 /nfs/dbraw/zinc/02/65/12/1013026512.db2.gz POGUBAUNBRHWRL-UHFFFAOYSA-N 1 0 414.941 3.792 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[NH+](C)C)cc1 ZINC000553053766 1013028803 /nfs/dbraw/zinc/02/88/03/1013028803.db2.gz KEUCCKJKLQTYAT-REWPJTCUSA-N 1 0 408.521 3.505 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C(=O)OC)co1)C(=S)Nc1ccccc1 ZINC000729669224 1071783858 /nfs/dbraw/zinc/78/38/58/1071783858.db2.gz RDRUZKXEFVQCRY-UHFFFAOYSA-O 1 0 409.487 3.967 20 30 HHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2cc(C(=O)OC)co2)[n+]2ccc(C)cc2)c1 ZINC000729669550 1071784980 /nfs/dbraw/zinc/78/49/80/1071784980.db2.gz HAPASNZNZLEVIK-UHFFFAOYSA-O 1 0 419.482 3.694 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc3c(c2)CCCC3)c1 ZINC000729670787 1071788920 /nfs/dbraw/zinc/78/89/20/1071788920.db2.gz ZVPKGFQRLSPZRE-UHFFFAOYSA-O 1 0 415.535 3.559 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC001211975692 1071829026 /nfs/dbraw/zinc/82/90/26/1071829026.db2.gz NQOJXDQPGOZJLA-IRXDYDNUSA-N 1 0 419.522 3.841 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001211975657 1071829104 /nfs/dbraw/zinc/82/91/04/1071829104.db2.gz MZOBAEVKOSZCNA-RXVVDRJESA-N 1 0 414.550 3.651 20 30 HHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@H]3Cc4ccc(OC)cc4C3)C[C@@H]2c2ccccc2)C1=O ZINC001168269426 1071879020 /nfs/dbraw/zinc/87/90/20/1071879020.db2.gz UUHCPBNFAWTLKJ-FBILRYNDSA-N 1 0 402.538 3.667 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000729810153 1072126172 /nfs/dbraw/zinc/12/61/72/1072126172.db2.gz VEBMUXIAOXTDJS-BQYDLMEBSA-N 1 0 424.497 3.533 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000570889473 1072402941 /nfs/dbraw/zinc/40/29/41/1072402941.db2.gz XWHBWKWKEJNRQT-CFLQYTFWSA-N 1 0 401.576 3.963 20 30 HHEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000586794979 1072444625 /nfs/dbraw/zinc/44/46/25/1072444625.db2.gz KXGFFNKPWOZTAA-QGZVFWFLSA-N 1 0 424.353 3.811 20 30 HHEDRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168296166 1072451104 /nfs/dbraw/zinc/45/11/04/1072451104.db2.gz UKANXUNRNGIXCO-NTKDMRAZSA-N 1 0 419.573 3.823 20 30 HHEDRO N#CCOc1cccc(CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000760515424 1072473559 /nfs/dbraw/zinc/47/35/59/1072473559.db2.gz OLXNTVQBDYNWDY-UHFFFAOYSA-N 1 0 411.933 3.813 20 30 HHEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001691580211 1072482023 /nfs/dbraw/zinc/48/20/23/1072482023.db2.gz ORJAUSFQCIQBHM-GHTZIAJQSA-N 1 0 405.550 3.676 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)c1c(C)nn(C)c1C ZINC000612488096 1072499681 /nfs/dbraw/zinc/49/96/81/1072499681.db2.gz PJRKGOYRUUWKBK-OAQYLSRUSA-N 1 0 418.545 3.996 20 30 HHEDRO CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571709177 1072703462 /nfs/dbraw/zinc/70/34/62/1072703462.db2.gz XIIPYPCKCPEDDH-QFIPXVFZSA-N 1 0 420.532 3.647 20 30 HHEDRO CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571709170 1072703508 /nfs/dbraw/zinc/70/35/08/1072703508.db2.gz XIIPYPCKCPEDDH-JOCHJYFZSA-N 1 0 420.532 3.647 20 30 HHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846425 1072707100 /nfs/dbraw/zinc/70/71/00/1072707100.db2.gz HOVSSPGBEXPZNF-DENIHFKCSA-N 1 0 420.532 3.647 20 30 HHEDRO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000588216018 1072916405 /nfs/dbraw/zinc/91/64/05/1072916405.db2.gz CVBZJMBSKJGHLZ-FQEVSTJZSA-N 1 0 407.489 3.992 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000588664862 1073082110 /nfs/dbraw/zinc/08/21/10/1073082110.db2.gz CYHPSNYTFFMRHZ-XZOQPEGZSA-N 1 0 406.530 3.935 20 30 HHEDRO CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC[N@@H+]1C ZINC000555170750 1073228574 /nfs/dbraw/zinc/22/85/74/1073228574.db2.gz QTFMVSMHYHLBCA-JOCHJYFZSA-N 1 0 400.530 3.641 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000555253965 1073282883 /nfs/dbraw/zinc/28/28/83/1073282883.db2.gz XLNOJMBLVXJVFP-UHFFFAOYSA-N 1 0 408.369 3.630 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000555271619 1073291536 /nfs/dbraw/zinc/29/15/36/1073291536.db2.gz CMMFHUNIKWZQPJ-SFHVURJKSA-N 1 0 413.566 3.707 20 30 HHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000555255316 1073303831 /nfs/dbraw/zinc/30/38/31/1073303831.db2.gz CYTHVRKJFBXJOO-HKUYNNGSSA-N 1 0 401.530 3.910 20 30 HHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000555316277 1073329270 /nfs/dbraw/zinc/32/92/70/1073329270.db2.gz LOVOSCMOEOJZDZ-PBHICJAKSA-N 1 0 419.319 3.614 20 30 HHEDRO CCOC(=O)C1CCC([N@H+](CC)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000555350470 1073362987 /nfs/dbraw/zinc/36/29/87/1073362987.db2.gz TWPVPFYAZIQZRQ-UHFFFAOYSA-N 1 0 409.534 3.803 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000555574423 1073640892 /nfs/dbraw/zinc/64/08/92/1073640892.db2.gz MRNLOBDLLLHDPY-JOCHJYFZSA-N 1 0 406.457 3.806 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000590195174 1073642991 /nfs/dbraw/zinc/64/29/91/1073642991.db2.gz RNXHHYVZKZTUQC-QFIPXVFZSA-N 1 0 407.514 3.533 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000590171252 1073657645 /nfs/dbraw/zinc/65/76/45/1073657645.db2.gz HNBCSJVHFGMSCR-HSZRJFAPSA-N 1 0 410.537 3.512 20 30 HHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1n1cccn1 ZINC000555648769 1073704421 /nfs/dbraw/zinc/70/44/21/1073704421.db2.gz WOEBNLSYSGLOGC-WXFUMESZSA-N 1 0 402.498 3.842 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000555687099 1073725292 /nfs/dbraw/zinc/72/52/92/1073725292.db2.gz JWIIEXVEUOKMQP-FQEVSTJZSA-N 1 0 411.571 3.606 20 30 HHEDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000590388827 1073808467 /nfs/dbraw/zinc/80/84/67/1073808467.db2.gz NWDUJERXPYCPJZ-GOSISDBHSA-N 1 0 405.498 3.676 20 30 HHEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C#N ZINC000555820350 1073871140 /nfs/dbraw/zinc/87/11/40/1073871140.db2.gz QBOPIYSKZSNEIE-UHFFFAOYSA-N 1 0 424.570 3.768 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000555992472 1074022795 /nfs/dbraw/zinc/02/27/95/1074022795.db2.gz RENDTYBHCNLCOV-HXUWFJFHSA-N 1 0 423.557 3.528 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000555995592 1074024784 /nfs/dbraw/zinc/02/47/84/1074024784.db2.gz NAENKHTVTZCVRA-UHFFFAOYSA-N 1 0 415.553 3.501 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C4(C)OCCO4)CC3)sc2C1 ZINC000760897887 1074614484 /nfs/dbraw/zinc/61/44/84/1074614484.db2.gz HLGFJBSULZURJD-OAHLLOKOSA-N 1 0 417.575 3.548 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000592069063 1074687218 /nfs/dbraw/zinc/68/72/18/1074687218.db2.gz JUFRFSHGEUGBPO-UHFFFAOYSA-N 1 0 403.320 3.748 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)CC1 ZINC000592076568 1074688246 /nfs/dbraw/zinc/68/82/46/1074688246.db2.gz HRFOGNPJLIOXMD-UHFFFAOYSA-N 1 0 402.542 3.784 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 ZINC000592358910 1074735784 /nfs/dbraw/zinc/73/57/84/1074735784.db2.gz YEEABBQVNDHFDI-UHFFFAOYSA-N 1 0 419.953 3.757 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CC1 ZINC000592526903 1074781550 /nfs/dbraw/zinc/78/15/50/1074781550.db2.gz VXHFLEUZTCRDEI-UHFFFAOYSA-N 1 0 403.420 3.876 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000574306938 1075216859 /nfs/dbraw/zinc/21/68/59/1075216859.db2.gz MRCHVJNQPNXOAE-UPVQGACJSA-N 1 0 419.569 3.791 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000594124786 1075265019 /nfs/dbraw/zinc/26/50/19/1075265019.db2.gz KSDBJHKUGARHQA-LKUPVBHCSA-N 1 0 413.562 3.604 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)[C@@H](C)C3)sc2C1 ZINC000761068176 1075338556 /nfs/dbraw/zinc/33/85/56/1075338556.db2.gz HDEIBFXMTMKOKB-JKSUJKDBSA-N 1 0 402.608 3.735 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)[C@H](C)C3)sc2C1 ZINC000761068175 1075338636 /nfs/dbraw/zinc/33/86/36/1075338636.db2.gz HDEIBFXMTMKOKB-HZPDHXFCSA-N 1 0 402.608 3.735 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000596831606 1075591395 /nfs/dbraw/zinc/59/13/95/1075591395.db2.gz WGODIZYXNSVIKV-UHFFFAOYSA-N 1 0 419.504 3.531 20 30 HHEDRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000601403077 1075613547 /nfs/dbraw/zinc/61/35/47/1075613547.db2.gz WNQOKVNISJSEQZ-UHFFFAOYSA-N 1 0 423.582 3.859 20 30 HHEDRO Cc1ccc(CNC(=O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000328606440 569418453 /nfs/dbraw/zinc/41/84/53/569418453.db2.gz RNYNZKDFQYEPLG-HYBUGGRVSA-N 1 0 417.513 3.950 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC([NH3+])C4)CC3)c(Cl)nn2)c1 ZINC001164387747 718802654 /nfs/dbraw/zinc/80/26/54/718802654.db2.gz NXCNHFZXQRQWBV-UHFFFAOYSA-N 1 0 403.864 3.921 20 30 HHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625245 719066792 /nfs/dbraw/zinc/06/67/92/719066792.db2.gz NBRKZSAAPFYFMV-RDJZCZTQSA-N 1 0 417.966 3.761 20 30 HHEDRO CCCc1cc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1Cl ZINC001164810652 720129251 /nfs/dbraw/zinc/12/92/51/720129251.db2.gz KNYTXOJBPAPUTL-DENIHFKCSA-N 1 0 402.970 3.744 20 30 HHEDRO CCCc1cc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1Cl ZINC001164810665 720129466 /nfs/dbraw/zinc/12/94/66/720129466.db2.gz KNYTXOJBPAPUTL-UGKGYDQZSA-N 1 0 402.970 3.744 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)[C@H]2C ZINC001164853971 720925763 /nfs/dbraw/zinc/92/57/63/720925763.db2.gz DGFGSVUWAGPUMB-ZDUSSCGKSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900448 721513009 /nfs/dbraw/zinc/51/30/09/721513009.db2.gz RCAKDBNRGFKALO-WBVHZDCISA-N 1 0 422.838 3.633 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc(Cl)c2C#N)CC1 ZINC001165022399 721839694 /nfs/dbraw/zinc/83/96/94/721839694.db2.gz RYMSFXRQYUHESV-UHFFFAOYSA-N 1 0 400.910 3.725 20 30 HHEDRO C[NH+](C)CC1CCN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CC1 ZINC001165042992 721951564 /nfs/dbraw/zinc/95/15/64/721951564.db2.gz WSEGBTJHLMCYEF-UHFFFAOYSA-N 1 0 405.880 3.992 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)cc1 ZINC000301332760 970872010 /nfs/dbraw/zinc/87/20/10/970872010.db2.gz FGCXJPZOYZVXSP-UHFFFAOYSA-N 1 0 415.291 3.941 20 30 HHEDRO N#Cc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301390112 970903385 /nfs/dbraw/zinc/90/33/85/970903385.db2.gz ABTOXYLNGGIEPT-SFHVURJKSA-N 1 0 401.470 3.991 20 30 HHEDRO C=CCNC(=O)c1ccc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)nc1 ZINC000301757713 971055836 /nfs/dbraw/zinc/05/58/36/971055836.db2.gz AVUWMFYHQBULEL-UHFFFAOYSA-N 1 0 410.521 3.889 20 30 HHEDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n2c3ccccc3nc2c1C#N ZINC000302042828 971159338 /nfs/dbraw/zinc/15/93/38/971159338.db2.gz IYGYDAFJEPAQEN-FQEVSTJZSA-N 1 0 411.509 3.846 20 30 HHEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000302435842 971237428 /nfs/dbraw/zinc/23/74/28/971237428.db2.gz MECSCDWPFJSSIP-QHCPKHFHSA-N 1 0 406.917 3.833 20 30 HHEDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000524300052 1013112086 /nfs/dbraw/zinc/11/20/86/1013112086.db2.gz KIBVJGLBXQNWPG-UHFFFAOYSA-N 1 0 419.485 3.836 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(OC)c1 ZINC000303634558 971914394 /nfs/dbraw/zinc/91/43/94/971914394.db2.gz GAGOFWBTGLJDOK-HXUWFJFHSA-N 1 0 415.505 3.846 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1OC ZINC000303784617 972025772 /nfs/dbraw/zinc/02/57/72/972025772.db2.gz PLWXNMXWJLFVSP-UHFFFAOYSA-N 1 0 411.502 3.714 20 30 HHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C12CCCCC2 ZINC000303835615 972371856 /nfs/dbraw/zinc/37/18/56/972371856.db2.gz APIOEYNRVTWEOR-NHCUHLMSSA-N 1 0 421.545 3.742 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000303866419 972408851 /nfs/dbraw/zinc/40/88/51/972408851.db2.gz CISMIJRBACWQFB-CQSZACIVSA-N 1 0 412.317 3.947 20 30 HHEDRO C[C@H](NC(=[NH2+])NCCCS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000303881399 972421308 /nfs/dbraw/zinc/42/13/08/972421308.db2.gz KWFAUBUTUKANJL-ZDUSSCGKSA-N 1 0 414.358 3.823 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1ccccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000303886992 972427981 /nfs/dbraw/zinc/42/79/81/972427981.db2.gz KPOULKYPWYQFEV-CQSZACIVSA-N 1 0 407.345 3.996 20 30 HHEDRO CSc1nnc(CCCNC(=[NH2+])Nc2ccc(OC(C)C)cc2)n1CC(C)C ZINC000303890451 972430754 /nfs/dbraw/zinc/43/07/54/972430754.db2.gz QDFPTGGMJPHKBC-UHFFFAOYSA-N 1 0 404.584 3.803 20 30 HHEDRO Cc1cccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 ZINC000303894806 972433702 /nfs/dbraw/zinc/43/37/02/972433702.db2.gz PBQMRUAZUOIBSH-BEFAXECRSA-N 1 0 404.917 3.976 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCC2(c3cccc(Cl)c3)CCOCC2)cc1OC ZINC000303899518 972436570 /nfs/dbraw/zinc/43/65/70/972436570.db2.gz WFEBSWKFXDIGBT-UHFFFAOYSA-N 1 0 403.910 3.832 20 30 HHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303901609 972470989 /nfs/dbraw/zinc/47/09/89/972470989.db2.gz XNCJYHXDFHZUMC-ZDUSSCGKSA-N 1 0 416.444 3.959 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(CN3CCCC3=O)cc2)c1 ZINC000303905523 972475811 /nfs/dbraw/zinc/47/58/11/972475811.db2.gz VQRVLRVQSHFUOW-UHFFFAOYSA-N 1 0 410.518 3.533 20 30 HHEDRO C=CCc1cc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc(OC)c1O ZINC000537649844 1013210488 /nfs/dbraw/zinc/21/04/88/1013210488.db2.gz ISSCHJQIHFNWJG-KRWDZBQOSA-N 1 0 414.468 3.752 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000542308549 1013266315 /nfs/dbraw/zinc/26/63/15/1013266315.db2.gz GHSZSIHGXIWVMO-GMAHTHKFSA-N 1 0 410.493 3.591 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2cccc(CO)c2)c(C)n1C ZINC000010173200 961756001 /nfs/dbraw/zinc/75/60/01/961756001.db2.gz FURACWSMKADTBZ-UHFFFAOYSA-O 1 0 408.547 3.781 20 30 HHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000537728656 1013289093 /nfs/dbraw/zinc/28/90/93/1013289093.db2.gz OCSRXYDNWOACTN-JOCHJYFZSA-N 1 0 409.555 3.753 20 30 HHEDRO C[N@H+](CCOc1ccc(F)cc1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000015101592 962662508 /nfs/dbraw/zinc/66/25/08/962662508.db2.gz DKMAQYYNKKMPMZ-UHFFFAOYSA-N 1 0 401.507 3.977 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000542419935 1013371534 /nfs/dbraw/zinc/37/15/34/1013371534.db2.gz QLTGWMVYGSMUMQ-UHFFFAOYSA-N 1 0 410.518 3.745 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)on2)c1 ZINC000553458954 1013370943 /nfs/dbraw/zinc/37/09/43/1013370943.db2.gz DZKSUVCEYRLKDW-VWLOTQADSA-N 1 0 412.493 3.951 20 30 HHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000542426873 1013378835 /nfs/dbraw/zinc/37/88/35/1013378835.db2.gz FHZXBIBLDFGIEM-UHFFFAOYSA-N 1 0 410.518 3.699 20 30 HHEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000017317721 963185466 /nfs/dbraw/zinc/18/54/66/963185466.db2.gz SCXQJLKGTILKBL-UHFFFAOYSA-N 1 0 400.544 3.716 20 30 HHEDRO N#Cc1ccc(OCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000017590282 963213481 /nfs/dbraw/zinc/21/34/81/963213481.db2.gz ZZDDKEAMYLEJDI-UHFFFAOYSA-N 1 0 417.431 3.690 20 30 HHEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000020887740 963399481 /nfs/dbraw/zinc/39/94/81/963399481.db2.gz PAVXCFKMITZPGY-UHFFFAOYSA-O 1 0 422.486 3.734 20 30 HHEDRO C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404860 963460684 /nfs/dbraw/zinc/46/06/84/963460684.db2.gz DNARVXGIASQSPD-MRXNPFEDSA-N 1 0 414.912 3.886 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691237 963698119 /nfs/dbraw/zinc/69/81/19/963698119.db2.gz QHOFUBQLAHDGIB-MRXNPFEDSA-O 1 0 405.490 3.522 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691524 963698738 /nfs/dbraw/zinc/69/87/38/963698738.db2.gz RJYDXDAXYXENNG-KRWDZBQOSA-O 1 0 419.517 3.912 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCC2)C(=S)NC[C@@H]1CCCO1 ZINC000022691997 963698835 /nfs/dbraw/zinc/69/88/35/963698835.db2.gz WFOATNRCTSTILH-NRFANRHFSA-O 1 0 409.575 3.733 20 30 HHEDRO COc1ccc(CCNC(=S)C(C(=O)c2ccc(OC)cc2)[n+]2ccccc2)cc1 ZINC000022803262 963719679 /nfs/dbraw/zinc/71/96/79/963719679.db2.gz KMRXLXAGBMJWGO-UHFFFAOYSA-O 1 0 421.542 3.762 20 30 HHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cccc21 ZINC000553546413 1013441769 /nfs/dbraw/zinc/44/17/69/1013441769.db2.gz RHGXMUFGKBVDBZ-OXQOHEQNSA-N 1 0 408.477 3.548 20 30 HHEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000023848183 963895140 /nfs/dbraw/zinc/89/51/40/963895140.db2.gz IERREKRAWBQKNN-UHFFFAOYSA-N 1 0 406.559 3.750 20 30 HHEDRO N#Cc1ccc(C2=CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000537878606 1013455999 /nfs/dbraw/zinc/45/59/99/1013455999.db2.gz IOUUIKBRHKAXEU-UHFFFAOYSA-N 1 0 401.514 3.669 20 30 HHEDRO CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025303733 964235593 /nfs/dbraw/zinc/23/55/93/964235593.db2.gz MNNIZRKPMJEPGM-DEOSSOPVSA-N 1 0 421.585 3.803 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000050057903 964252417 /nfs/dbraw/zinc/25/24/17/964252417.db2.gz BZCCYDBSTFLRKX-KRWDZBQOSA-N 1 0 412.559 3.698 20 30 HHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)s2)cc1 ZINC000542570900 1013512291 /nfs/dbraw/zinc/51/22/91/1013512291.db2.gz SZKCNSILCHMXGN-OAHLLOKOSA-N 1 0 420.538 3.966 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc(OC)c1OC ZINC000051778195 964696376 /nfs/dbraw/zinc/69/63/76/964696376.db2.gz QXTXVJDLQZZULL-HXUWFJFHSA-N 1 0 415.509 3.674 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027418088 964885193 /nfs/dbraw/zinc/88/51/93/964885193.db2.gz DMSFPJVRBPTESP-SZTYLXMGSA-N 1 0 410.562 3.656 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(F)cc2c1OCOC2 ZINC000053050490 965049893 /nfs/dbraw/zinc/04/98/93/965049893.db2.gz LJMCVNUYQKGNKG-UHFFFAOYSA-N 1 0 418.538 3.790 20 30 HHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140190 965307541 /nfs/dbraw/zinc/30/75/41/965307541.db2.gz QSYORULOJCPVNQ-VWLOTQADSA-N 1 0 416.569 3.505 20 30 HHEDRO N#CC1(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)CCCCC1 ZINC000057398739 965436848 /nfs/dbraw/zinc/43/68/48/965436848.db2.gz VUQRBOWGUHHSHY-UHFFFAOYSA-N 1 0 403.530 3.816 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000058461694 965743575 /nfs/dbraw/zinc/74/35/75/965743575.db2.gz VAYOXMIXPXTBJO-HSZRJFAPSA-N 1 0 406.530 3.553 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000055086508 965750332 /nfs/dbraw/zinc/75/03/32/965750332.db2.gz CPZAFUSXIGPJMZ-IBGZPJMESA-N 1 0 412.559 3.987 20 30 HHEDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000058559681 965783271 /nfs/dbraw/zinc/78/32/71/965783271.db2.gz WKLQAXYDIAJDQC-UHFFFAOYSA-N 1 0 406.408 3.883 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000060671771 966252958 /nfs/dbraw/zinc/25/29/58/966252958.db2.gz BSBYYQGUSUGNIA-UHFFFAOYSA-N 1 0 421.541 3.882 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(OC)c1 ZINC000032761509 966324431 /nfs/dbraw/zinc/32/44/31/966324431.db2.gz YXIQQNXHYFDTLR-GOSISDBHSA-N 1 0 400.544 3.817 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000060948490 966334069 /nfs/dbraw/zinc/33/40/69/966334069.db2.gz KUHLPFUORFWSKF-UHFFFAOYSA-N 1 0 400.494 3.916 20 30 HHEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000056596802 966388430 /nfs/dbraw/zinc/38/84/30/966388430.db2.gz JMPUYFMAMPUONJ-ROUUACIJSA-N 1 0 408.502 3.971 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000056624111 966398627 /nfs/dbraw/zinc/39/86/27/966398627.db2.gz GZQMJWPDGODJNV-UHFFFAOYSA-N 1 0 418.541 3.681 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061502921 966482421 /nfs/dbraw/zinc/48/24/21/966482421.db2.gz AHFULJUJIGZYEP-QHCPKHFHSA-N 1 0 407.562 3.608 20 30 HHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000056829487 966484613 /nfs/dbraw/zinc/48/46/13/966484613.db2.gz WEAOEVCGGSDNMA-UHFFFAOYSA-N 1 0 407.436 3.732 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)NC2CCCCC2)CC1)C(C)C ZINC000062486885 966688975 /nfs/dbraw/zinc/68/89/75/966688975.db2.gz XAPJVVWDPQMDAD-QFIPXVFZSA-N 1 0 418.626 3.556 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)N(C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063331165 966823156 /nfs/dbraw/zinc/82/31/56/966823156.db2.gz QLKCEUITJAMAIT-UHFFFAOYSA-N 1 0 406.530 3.620 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063402403 966844884 /nfs/dbraw/zinc/84/48/84/966844884.db2.gz DMSALSBZAYWHFL-NRFANRHFSA-N 1 0 408.502 3.957 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCSc3ccccc3)CC2)cc1 ZINC000043108869 966908211 /nfs/dbraw/zinc/90/82/11/966908211.db2.gz GMRPRVGKFMJJEH-UHFFFAOYSA-N 1 0 408.571 3.958 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000538129919 1013691788 /nfs/dbraw/zinc/69/17/88/1013691788.db2.gz WTHKVCHIRMZWPB-IAGOWNOFSA-N 1 0 408.502 3.640 20 30 HHEDRO COc1ccc([C@H](CCO)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000538128239 1013690553 /nfs/dbraw/zinc/69/05/53/1013690553.db2.gz LVWMJXZFSSBLRJ-IBGZPJMESA-N 1 0 413.543 3.549 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000064351771 967151487 /nfs/dbraw/zinc/15/14/87/967151487.db2.gz DWUIJFNHICVLLF-GOSISDBHSA-N 1 0 403.617 3.573 20 30 HHEDRO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361430 967155900 /nfs/dbraw/zinc/15/59/00/967155900.db2.gz UMYCNEBYMDYHDN-UHFFFAOYSA-N 1 0 420.966 3.992 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCCOCc3ccccc3)CC2)cc1 ZINC000065303920 967431971 /nfs/dbraw/zinc/43/19/71/967431971.db2.gz IIQYKTJXOYGGJI-UHFFFAOYSA-N 1 0 420.557 3.773 20 30 HHEDRO CCOc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045351658 967434431 /nfs/dbraw/zinc/43/44/31/967434431.db2.gz YWXPEIVQABLANR-LJQANCHMSA-N 1 0 406.530 3.935 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000046791943 967967089 /nfs/dbraw/zinc/96/70/89/967967089.db2.gz RFKLJIYEMGOKMO-UHFFFAOYSA-N 1 0 413.562 3.840 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)ccc1Br ZINC000047011405 968031063 /nfs/dbraw/zinc/03/10/63/968031063.db2.gz ICHYNRATAWDYRU-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)CC1 ZINC000542955428 1013786232 /nfs/dbraw/zinc/78/62/32/1013786232.db2.gz IPEGYERNQKLIMG-LJQANCHMSA-N 1 0 424.524 3.859 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047883204 968351153 /nfs/dbraw/zinc/35/11/53/968351153.db2.gz BJECLQSFJXOHEE-GOSISDBHSA-N 1 0 405.420 3.786 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(OC(F)F)c3)CC2)cc1 ZINC000047908024 968359091 /nfs/dbraw/zinc/35/90/91/968359091.db2.gz IOSDLVFESGXYNL-UHFFFAOYSA-N 1 0 400.429 3.899 20 30 HHEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000048162001 968464566 /nfs/dbraw/zinc/46/45/66/968464566.db2.gz DESCBPFWUGRZII-UHFFFAOYSA-N 1 0 404.514 3.891 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(Cl)c2cccnc12 ZINC000065930408 968720660 /nfs/dbraw/zinc/72/06/60/968720660.db2.gz UMPBZYWUMARVIV-UHFFFAOYSA-N 1 0 422.916 3.729 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000065972172 968743937 /nfs/dbraw/zinc/74/39/37/968743937.db2.gz TXOQVDFPHLQGET-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000072006938 968928798 /nfs/dbraw/zinc/92/87/98/968928798.db2.gz KHGXWBRYLWWNSP-XMMPIXPASA-N 1 0 421.589 3.936 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000097073574 969087648 /nfs/dbraw/zinc/08/76/48/969087648.db2.gz OBDJDIZVSAHCMI-CVEARBPZSA-N 1 0 423.483 3.741 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(CC#N)c3)c(C(F)(F)F)c2)CC1 ZINC000097405339 969134099 /nfs/dbraw/zinc/13/40/99/969134099.db2.gz KJBXFJQODZPTEG-UHFFFAOYSA-N 1 0 402.420 3.776 20 30 HHEDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)cc1 ZINC000097494653 969147538 /nfs/dbraw/zinc/14/75/38/969147538.db2.gz KSDJRBJEVBAZRB-VIHQBZHPSA-N 1 0 412.578 3.527 20 30 HHEDRO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000097571263 969164637 /nfs/dbraw/zinc/16/46/37/969164637.db2.gz RODAPFQQKXILSJ-OAHLLOKOSA-N 1 0 416.472 3.615 20 30 HHEDRO Cc1ccc(NC(=O)[C@@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1F ZINC000097571471 969166109 /nfs/dbraw/zinc/16/61/09/969166109.db2.gz GDVUVLUEIJKWLG-QGZVFWFLSA-N 1 0 412.509 3.784 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000110000621 969607298 /nfs/dbraw/zinc/60/72/98/969607298.db2.gz ADFVUUHANDNTEZ-SFHVURJKSA-N 1 0 419.460 3.956 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000110298556 969649853 /nfs/dbraw/zinc/64/98/53/969649853.db2.gz GBWLTLORLWCKNY-HSZRJFAPSA-N 1 0 400.482 3.883 20 30 HHEDRO CC(C)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000110894148 969736302 /nfs/dbraw/zinc/73/63/02/969736302.db2.gz VKJBXBXNLNNCIJ-JOCHJYFZSA-N 1 0 412.578 3.586 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000110945370 969744778 /nfs/dbraw/zinc/74/47/78/969744778.db2.gz VCCKGLCEFKURPR-QHCPKHFHSA-N 1 0 418.541 3.667 20 30 HHEDRO CC(C)(C)OC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000110981509 969753648 /nfs/dbraw/zinc/75/36/48/969753648.db2.gz WAGOTIAOMONJIX-UHFFFAOYSA-N 1 0 406.914 3.529 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)c1C#N ZINC000111192491 969797998 /nfs/dbraw/zinc/79/79/98/969797998.db2.gz CFNRACYHHBCKRS-NRFANRHFSA-N 1 0 411.594 3.981 20 30 HHEDRO CC(C)[C@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000112657125 969821539 /nfs/dbraw/zinc/82/15/39/969821539.db2.gz JPMWAOUQESYNPS-FQEVSTJZSA-N 1 0 411.571 3.956 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000112681614 969824012 /nfs/dbraw/zinc/82/40/12/969824012.db2.gz WZLIUYMASUCCST-FQEVSTJZSA-N 1 0 408.502 3.709 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)CC1 ZINC000195640702 969926973 /nfs/dbraw/zinc/92/69/73/969926973.db2.gz HGXJTXRUQKTWFI-UHFFFAOYSA-N 1 0 418.360 3.780 20 30 HHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000195662322 969940437 /nfs/dbraw/zinc/94/04/37/969940437.db2.gz AGHJTYYYGMBHII-FDDCHVKYSA-N 1 0 415.493 3.901 20 30 HHEDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000236581603 970143317 /nfs/dbraw/zinc/14/33/17/970143317.db2.gz YHWVHFQYXQMBBK-IBGZPJMESA-N 1 0 400.542 3.683 20 30 HHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000237024095 970208696 /nfs/dbraw/zinc/20/86/96/970208696.db2.gz QKZDWKVJYUVHGD-IBGZPJMESA-N 1 0 404.470 3.819 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC ZINC000237239951 970247037 /nfs/dbraw/zinc/24/70/37/970247037.db2.gz XSCLMRUNYXMMLM-RTBURBONSA-N 1 0 424.541 3.799 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)ccc1OC ZINC000237406957 970279700 /nfs/dbraw/zinc/27/97/00/970279700.db2.gz LWJJPHPGJWOPKX-LJQANCHMSA-N 1 0 402.560 3.875 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c(-c2ccccc2)n1 ZINC000237803514 970371479 /nfs/dbraw/zinc/37/14/79/970371479.db2.gz GQBXODRMJFFXMM-UHFFFAOYSA-N 1 0 406.461 3.802 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000554604212 1013987609 /nfs/dbraw/zinc/98/76/09/1013987609.db2.gz IZBBLTNXRRTFPN-FQEVSTJZSA-N 1 0 417.557 3.874 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)c1C#N ZINC000554635778 1013995610 /nfs/dbraw/zinc/99/56/10/1013995610.db2.gz MIQBDXGPHKRSHU-NRFANRHFSA-N 1 0 412.509 3.574 20 30 HHEDRO Cc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)n1 ZINC000250901877 970541049 /nfs/dbraw/zinc/54/10/49/970541049.db2.gz OIJSRYDWLOEWDD-DZGCQCFKSA-N 1 0 413.547 3.644 20 30 HHEDRO C[NH+]1CCN(C[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)CC1 ZINC000261398323 970650553 /nfs/dbraw/zinc/65/05/53/970650553.db2.gz OQSIFUWKDQTWOF-QFIPXVFZSA-N 1 0 405.546 3.598 20 30 HHEDRO COCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000554729799 1014033409 /nfs/dbraw/zinc/03/34/09/1014033409.db2.gz JAKMQWMUECXMLS-NRFANRHFSA-N 1 0 413.468 3.695 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC ZINC000303974829 972560925 /nfs/dbraw/zinc/56/09/25/972560925.db2.gz IJKKPLKSPDDNOF-KRWDZBQOSA-N 1 0 416.953 3.596 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccnc(Oc3ccc(F)cc3)c2)cc1OC ZINC000303979758 972565600 /nfs/dbraw/zinc/56/56/00/972565600.db2.gz NMILIVXIJFHGDY-UHFFFAOYSA-N 1 0 410.449 3.635 20 30 HHEDRO [NH2+]=C(NCCc1cccs1)NCc1cc(Br)ccc1OC(F)F ZINC000303991629 972571734 /nfs/dbraw/zinc/57/17/34/972571734.db2.gz ZUKLTRQLQIOPGH-UHFFFAOYSA-N 1 0 404.280 3.759 20 30 HHEDRO C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)Oc1ccccc1Br ZINC000304685288 972602554 /nfs/dbraw/zinc/60/25/54/972602554.db2.gz FXQVQBIVDWALSA-CJNGLKHVSA-N 1 0 404.308 3.645 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccnc(O[C@@H](C)CC(C)C)c2)cc1OC ZINC000304738020 972604055 /nfs/dbraw/zinc/60/40/55/972604055.db2.gz AQCJEVFFDWNQRI-INIZCTEOSA-N 1 0 400.523 3.517 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2c(F)cccc2F)N(C)C)c1 ZINC000304759149 972605646 /nfs/dbraw/zinc/60/56/46/972605646.db2.gz QVEUNHZAFZIVON-GOSISDBHSA-N 1 0 406.477 3.792 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2c(F)cccc2F)N(C)C)c1 ZINC000304759150 972605671 /nfs/dbraw/zinc/60/56/71/972605671.db2.gz QVEUNHZAFZIVON-SFHVURJKSA-N 1 0 406.477 3.792 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCCOc2ncc(C(F)(F)F)cc2Cl)cc1OC ZINC000304809546 972607218 /nfs/dbraw/zinc/60/72/18/972607218.db2.gz VRLNCELXLVBSDO-UHFFFAOYSA-N 1 0 418.803 3.577 20 30 HHEDRO [NH2+]=C(NCCOc1ncccc1C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC000305162986 972610194 /nfs/dbraw/zinc/61/01/94/972610194.db2.gz CAGZZFKVOSUETM-UHFFFAOYSA-N 1 0 408.302 3.805 20 30 HHEDRO [NH2+]=C(NCc1ccc(O)c(Br)c1)Nc1ccccc1OC(F)(F)F ZINC000305241836 972611672 /nfs/dbraw/zinc/61/16/72/972611672.db2.gz RQYSUKDTVXPSSN-UHFFFAOYSA-N 1 0 404.186 3.980 20 30 HHEDRO [NH2+]=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccccc1OC(F)(F)F ZINC000305248383 972611692 /nfs/dbraw/zinc/61/16/92/972611692.db2.gz UGWQEUCZKMATTC-UHFFFAOYSA-N 1 0 406.408 3.634 20 30 HHEDRO CSc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)N2CCc3sccc3C2)cc1 ZINC000305839767 972614516 /nfs/dbraw/zinc/61/45/16/972614516.db2.gz YPAXEWLNXNTPNT-LJQANCHMSA-N 1 0 400.617 3.978 20 30 HHEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379704689 972771723 /nfs/dbraw/zinc/77/17/23/972771723.db2.gz KBGLQDZSRNQAMW-CRAIPNDOSA-N 1 0 403.935 3.543 20 30 HHEDRO CC(C)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000409579494 973028344 /nfs/dbraw/zinc/02/83/44/973028344.db2.gz GHTTWNSSZUNQCJ-XMMPIXPASA-N 1 0 413.525 3.557 20 30 HHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)n2)c1 ZINC000409609129 973056660 /nfs/dbraw/zinc/05/66/60/973056660.db2.gz VXQVEILOJNJMNJ-UHFFFAOYSA-N 1 0 403.511 3.545 20 30 HHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409663185 973118432 /nfs/dbraw/zinc/11/84/32/973118432.db2.gz INDRZYSEHFPODB-UHFFFAOYSA-N 1 0 417.538 3.854 20 30 HHEDRO CN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425986743 974097989 /nfs/dbraw/zinc/09/79/89/974097989.db2.gz XLBJHMXARISKLM-JOCHJYFZSA-N 1 0 418.459 3.506 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000426068389 974191726 /nfs/dbraw/zinc/19/17/26/974191726.db2.gz BLLJDRNHDZYHEM-VXKWHMMOSA-N 1 0 420.513 3.850 20 30 HHEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426146994 974265039 /nfs/dbraw/zinc/26/50/39/974265039.db2.gz BRKWYTJJTBIXSD-UHFFFAOYSA-N 1 0 411.937 3.671 20 30 HHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cn1 ZINC000426572626 974536773 /nfs/dbraw/zinc/53/67/73/974536773.db2.gz FJMJAKPOUMMUDI-UHFFFAOYSA-N 1 0 405.483 3.912 20 30 HHEDRO Clc1ccc(C#CCN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000427017497 974829002 /nfs/dbraw/zinc/82/90/02/974829002.db2.gz WCJURSSDJCWJHL-QFIPXVFZSA-N 1 0 408.977 3.621 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000427094087 974898239 /nfs/dbraw/zinc/89/82/39/974898239.db2.gz PCXKCYFZUKZBRR-DNQXCXABSA-N 1 0 403.526 3.723 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427275931 975019456 /nfs/dbraw/zinc/01/94/56/975019456.db2.gz VEUAIURETCEKDA-UHFFFAOYSA-N 1 0 417.557 3.798 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000427310043 975042946 /nfs/dbraw/zinc/04/29/46/975042946.db2.gz XFGZCLBPNHXOFA-OALUTQOASA-N 1 0 415.603 3.529 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C[N@H+]4CC[C@H](O)C4)c3)o2)cc1 ZINC000428555538 975867526 /nfs/dbraw/zinc/86/75/26/975867526.db2.gz YJQNDLLRFNDDRV-FQEVSTJZSA-N 1 0 417.465 3.549 20 30 HHEDRO C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000428709544 976000725 /nfs/dbraw/zinc/00/07/25/976000725.db2.gz MHKLUHCNPMGFDH-LJQANCHMSA-N 1 0 401.514 3.714 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429004026 976283515 /nfs/dbraw/zinc/28/35/15/976283515.db2.gz QHVRNWRKPFYSLK-XMMPIXPASA-N 1 0 420.557 3.771 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429004963 976285420 /nfs/dbraw/zinc/28/54/20/976285420.db2.gz LUECHHJWJJKSHE-AJYBTWMASA-N 1 0 400.592 3.681 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429035365 976318669 /nfs/dbraw/zinc/31/86/69/976318669.db2.gz LSMYAISLIKMBOF-XMMPIXPASA-N 1 0 420.557 3.769 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c(OC)c1 ZINC000429153917 976442565 /nfs/dbraw/zinc/44/25/65/976442565.db2.gz FFVXDFVPOWGKJC-LBUQITIBSA-N 1 0 403.544 3.517 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c(OC)c1 ZINC000429153913 976442610 /nfs/dbraw/zinc/44/26/10/976442610.db2.gz FFVXDFVPOWGKJC-JIGPKXGUSA-N 1 0 403.544 3.517 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1C#N ZINC000429244229 976533031 /nfs/dbraw/zinc/53/30/31/976533031.db2.gz FFBQXDQTJUAQBU-FQEVSTJZSA-N 1 0 424.545 3.695 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429312905 976583433 /nfs/dbraw/zinc/58/34/33/976583433.db2.gz AJKUNFBTAFPLOO-GOSISDBHSA-N 1 0 418.472 3.506 20 30 HHEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000429386605 976660331 /nfs/dbraw/zinc/66/03/31/976660331.db2.gz WYXOYYDHAMQOHT-FQEVSTJZSA-N 1 0 412.331 3.850 20 30 HHEDRO Cc1noc(C[C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c2ccccc2)n1 ZINC000429541671 976806296 /nfs/dbraw/zinc/80/62/96/976806296.db2.gz PKHJIDXUFJHWQP-NRFANRHFSA-N 1 0 417.513 3.815 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429651076 976945278 /nfs/dbraw/zinc/94/52/78/976945278.db2.gz HNEIFCYETVNBKE-SBHAEUEKSA-N 1 0 405.546 3.941 20 30 HHEDRO COc1ccccc1-n1nccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000430015763 977272711 /nfs/dbraw/zinc/27/27/11/977272711.db2.gz BBAUBRZMVMPICT-SFHVURJKSA-N 1 0 405.477 3.650 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)nc1 ZINC000430171330 977367101 /nfs/dbraw/zinc/36/71/01/977367101.db2.gz SRGLTXBCAFBGED-GOSISDBHSA-N 1 0 413.403 3.811 20 30 HHEDRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)cs1 ZINC000430176369 977370778 /nfs/dbraw/zinc/37/07/78/977370778.db2.gz JRIJNAKREXNCFP-OAQYLSRUSA-N 1 0 406.511 3.951 20 30 HHEDRO Cn1cc(C[N@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccc(Cl)cc2)cn1 ZINC000430277046 977442526 /nfs/dbraw/zinc/44/25/26/977442526.db2.gz YBUSLMKAQREIGK-UHFFFAOYSA-N 1 0 407.905 3.976 20 30 HHEDRO C=CCN1C(=O)N(C[C@H](c2cccs2)[NH+]2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430969755 977919401 /nfs/dbraw/zinc/91/94/01/977919401.db2.gz FEGUBWFBPQDMNS-WOJBJXKFSA-N 1 0 409.555 3.947 20 30 HHEDRO Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000431156313 978056750 /nfs/dbraw/zinc/05/67/50/978056750.db2.gz KIPKDHYLEIGRSA-NHCUHLMSSA-N 1 0 406.534 3.762 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431671081 978424927 /nfs/dbraw/zinc/42/49/27/978424927.db2.gz BQSPZOYOVYCEDJ-HYBUGGRVSA-N 1 0 420.557 3.769 20 30 HHEDRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431977751 978627610 /nfs/dbraw/zinc/62/76/10/978627610.db2.gz PMQZUIYWWJYXTJ-XUZZJYLKSA-N 1 0 419.573 3.931 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000432467622 978829102 /nfs/dbraw/zinc/82/91/02/978829102.db2.gz ATMIJOUJRIADDK-UHFFFAOYSA-N 1 0 422.504 3.587 20 30 HHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000432546805 978878218 /nfs/dbraw/zinc/87/82/18/978878218.db2.gz PPZUMLLNTNXYMY-FQEVSTJZSA-N 1 0 410.562 3.638 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000432620878 978913566 /nfs/dbraw/zinc/91/35/66/978913566.db2.gz VFBGTIWKZZMDML-XMMPIXPASA-N 1 0 402.542 3.969 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(NC(C)=O)nc2)cc1OC ZINC000433183496 979125389 /nfs/dbraw/zinc/12/53/89/979125389.db2.gz TVFRDZDAJMTLLK-UHFFFAOYSA-N 1 0 420.307 3.666 20 30 HHEDRO Cn1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c2ccc(F)cc21 ZINC000433322100 979235139 /nfs/dbraw/zinc/23/51/39/979235139.db2.gz PNIUBOWRNMQGGF-UHFFFAOYSA-N 1 0 402.477 3.822 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2nc3ccccc3n2C(F)F)c(-c2ccncc2)n1 ZINC000433343212 979251348 /nfs/dbraw/zinc/25/13/48/979251348.db2.gz NHDGSLAVZUUGPT-UHFFFAOYSA-N 1 0 421.455 3.936 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433366818 979257918 /nfs/dbraw/zinc/25/79/18/979257918.db2.gz OVDLVKQIXGJNNZ-GOTSBHOMSA-N 1 0 405.542 3.978 20 30 HHEDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)noc1-c1ccccc1F ZINC000433913089 979674946 /nfs/dbraw/zinc/67/49/46/979674946.db2.gz BNESMMHGNRUBDT-UHFFFAOYSA-N 1 0 421.476 4.257 20 30 HHEDRO Cc1ccccc1Cc1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000434834721 980431885 /nfs/dbraw/zinc/43/18/85/980431885.db2.gz UIWRVGHTZQJKAC-UHFFFAOYSA-N 1 0 401.514 3.548 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(-c2ccncc2)n1 ZINC000434838493 980434849 /nfs/dbraw/zinc/43/48/49/980434849.db2.gz ZZVNSTXJPSEFGU-UHFFFAOYSA-N 1 0 406.921 3.834 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866872 980457574 /nfs/dbraw/zinc/45/75/74/980457574.db2.gz FAYZTZDBKUJYJK-SVMVAKDDSA-N 1 0 422.598 3.993 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCSC(C)(C)C2)c1C#N ZINC000434902699 980481655 /nfs/dbraw/zinc/48/16/55/980481655.db2.gz FEIWEUBMKBSOIW-UHFFFAOYSA-N 1 0 400.548 3.774 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000434927069 980502309 /nfs/dbraw/zinc/50/23/09/980502309.db2.gz NXBFZORLZDOLQO-UHFFFAOYSA-N 1 0 406.555 3.985 20 30 HHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000434979336 980546031 /nfs/dbraw/zinc/54/60/31/980546031.db2.gz SHDGMIXWAQSTQW-VQTJNVASSA-N 1 0 409.534 3.598 20 30 HHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000434998585 980558758 /nfs/dbraw/zinc/55/87/58/980558758.db2.gz BTCGAORLZJODFZ-YADHBBJMSA-N 1 0 419.573 3.522 20 30 HHEDRO N#CCCn1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c(-c2ccncc2)n1 ZINC000435124833 980656692 /nfs/dbraw/zinc/65/66/92/980656692.db2.gz AUQSPZRLCMGOQI-HSZRJFAPSA-N 1 0 401.514 3.692 20 30 HHEDRO CC(C)n1cc(C#N)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000435826937 981048379 /nfs/dbraw/zinc/04/83/79/981048379.db2.gz NXNWIOICXGZYIN-UHFFFAOYSA-N 1 0 404.518 3.696 20 30 HHEDRO Cc1oc(C#N)cc1C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000436207853 981249882 /nfs/dbraw/zinc/24/98/82/981249882.db2.gz HPEOCLAPQBNKGO-KRWDZBQOSA-N 1 0 405.420 3.986 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H](CO)c2ccccc2)c1C#N ZINC000436250754 981269422 /nfs/dbraw/zinc/26/94/22/981269422.db2.gz GRRLZIDGYRAUJP-JOCHJYFZSA-N 1 0 420.513 3.612 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436376653 981335899 /nfs/dbraw/zinc/33/58/99/981335899.db2.gz CMZNHQAAPZACEK-IBGZPJMESA-N 1 0 400.523 3.502 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436386777 981341185 /nfs/dbraw/zinc/34/11/85/981341185.db2.gz JFWUDKKGZFTBID-HNNXBMFYSA-N 1 0 412.444 3.518 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000448321139 981698088 /nfs/dbraw/zinc/69/80/88/981698088.db2.gz LOKWGRLDEPVXQZ-NRFANRHFSA-N 1 0 420.513 3.526 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000448386061 981742857 /nfs/dbraw/zinc/74/28/57/981742857.db2.gz ICKSRCDUTMVWRD-HNNXBMFYSA-N 1 0 412.456 3.989 20 30 HHEDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437078918 981749463 /nfs/dbraw/zinc/74/94/63/981749463.db2.gz CEKNGIMQKFMSQB-IPJUCJBFSA-N 1 0 409.486 3.546 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000448466329 981802124 /nfs/dbraw/zinc/80/21/24/981802124.db2.gz MITQZJSEAZAZIT-JSRJAPPDSA-N 1 0 412.578 3.915 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448519356 981846503 /nfs/dbraw/zinc/84/65/03/981846503.db2.gz DGRGOURJSRGNQV-NFXUCOAQSA-N 1 0 422.573 3.907 20 30 HHEDRO CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460165481 981937739 /nfs/dbraw/zinc/93/77/39/981937739.db2.gz FIPZHPBAXSGXLN-UHFFFAOYSA-N 1 0 418.520 3.612 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437350548 982001335 /nfs/dbraw/zinc/00/13/35/982001335.db2.gz XHXBTXLDQRORSC-FQEVSTJZSA-N 1 0 422.504 3.539 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000460265565 982042181 /nfs/dbraw/zinc/04/21/81/982042181.db2.gz LJJNDKLKHOHJMW-OAQYLSRUSA-N 1 0 417.431 3.508 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460287379 982063076 /nfs/dbraw/zinc/06/30/76/982063076.db2.gz GFQSDLYFUBNLKI-QFIPXVFZSA-N 1 0 400.530 3.937 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460377560 982155495 /nfs/dbraw/zinc/15/54/95/982155495.db2.gz UIOXEVRQKYQTNQ-DENIHFKCSA-N 1 0 417.561 3.770 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460377749 982155614 /nfs/dbraw/zinc/15/56/14/982155614.db2.gz ZGDUVUBDPWFLOW-PSWAGMNNSA-N 1 0 424.552 3.961 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+](CCc2ccccc2)[C@H]2CCOC2)sc2c1CCC2 ZINC000437533810 982161345 /nfs/dbraw/zinc/16/13/45/982161345.db2.gz FXZJCKWLAUZYAU-SFHVURJKSA-N 1 0 409.555 3.771 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460389667 982169657 /nfs/dbraw/zinc/16/96/57/982169657.db2.gz VAUCBAWQCOUIRA-OAQYLSRUSA-N 1 0 411.550 3.677 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000437676292 982290174 /nfs/dbraw/zinc/29/01/74/982290174.db2.gz AFUYUCCKNJYZBK-UHFFFAOYSA-N 1 0 404.558 3.576 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000437721949 982318059 /nfs/dbraw/zinc/31/80/59/982318059.db2.gz IKVSVNZZDDRCLJ-UZKOGDIHSA-N 1 0 401.551 3.503 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000437721945 982318319 /nfs/dbraw/zinc/31/83/19/982318319.db2.gz IKVSVNZZDDRCLJ-CBQOVEMMSA-N 1 0 401.551 3.503 20 30 HHEDRO C=C(C)Cn1c(CN2CC[NH+](Cc3ccc(C)cc3)CC2)nnc1N1CCC=C(C)C1 ZINC000460543954 982330977 /nfs/dbraw/zinc/33/09/77/982330977.db2.gz CPUMQQNPDKRKIU-UHFFFAOYSA-N 1 0 420.605 3.637 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460545550 982331889 /nfs/dbraw/zinc/33/18/89/982331889.db2.gz AGLZMRIMQUWVPU-CEMLEFRQSA-N 1 0 409.578 3.847 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C)=C(C)C1 ZINC000460547228 982333766 /nfs/dbraw/zinc/33/37/66/982333766.db2.gz RAZSYHSJTOKRQL-UHFFFAOYSA-N 1 0 420.605 3.765 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460551027 982337648 /nfs/dbraw/zinc/33/76/48/982337648.db2.gz LMXUNHPZXBHQDL-RTBURBONSA-N 1 0 413.566 3.608 20 30 HHEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c2)cc1 ZINC000437760352 982340675 /nfs/dbraw/zinc/34/06/75/982340675.db2.gz QMOGNJLZJRKVGX-QFIPXVFZSA-N 1 0 402.498 3.810 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460555285 982341592 /nfs/dbraw/zinc/34/15/92/982341592.db2.gz SWAOYJDGUKBFQL-MRXNPFEDSA-N 1 0 401.580 3.581 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460559947 982345696 /nfs/dbraw/zinc/34/56/96/982345696.db2.gz NKVODHLUTYRKOP-LJQANCHMSA-N 1 0 411.550 3.505 20 30 HHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437882590 982433221 /nfs/dbraw/zinc/43/32/21/982433221.db2.gz QXSHVJBCFQEQCE-OAHLLOKOSA-N 1 0 419.394 3.782 20 30 HHEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000437895756 982445894 /nfs/dbraw/zinc/44/58/94/982445894.db2.gz NFIJNNAVTQGVJB-NRFANRHFSA-N 1 0 402.498 3.810 20 30 HHEDRO CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000437903934 982452793 /nfs/dbraw/zinc/45/27/93/982452793.db2.gz WOCUCIHCBKJUBE-BJKOFHAPSA-N 1 0 418.541 3.730 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460782530 982535006 /nfs/dbraw/zinc/53/50/06/982535006.db2.gz JHQZEMVNJSSZCW-PKOBYXMFSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460796177 982549246 /nfs/dbraw/zinc/54/92/46/982549246.db2.gz FNDIADONOOKYHS-RXVVDRJESA-N 1 0 413.566 3.608 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2)c1 ZINC000438050049 982552138 /nfs/dbraw/zinc/55/21/38/982552138.db2.gz MKMFPVCXKSYIDC-HXUWFJFHSA-N 1 0 408.502 3.709 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460800408 982552711 /nfs/dbraw/zinc/55/27/11/982552711.db2.gz DOKOYJLOKGEFIG-BHIFYINESA-N 1 0 407.562 3.772 20 30 HHEDRO C=CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000438096882 982585603 /nfs/dbraw/zinc/58/56/03/982585603.db2.gz MIVZBUSTXWRULH-SFHVURJKSA-N 1 0 417.492 3.795 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460936684 982674690 /nfs/dbraw/zinc/67/46/90/982674690.db2.gz MLGIWIIGPSBQDQ-GDBMZVCRSA-N 1 0 419.371 3.675 20 30 HHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460937665 982676064 /nfs/dbraw/zinc/67/60/64/982676064.db2.gz OUHOBPMISZWPBM-UYAOXDASSA-N 1 0 404.562 3.989 20 30 HHEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460938443 982676579 /nfs/dbraw/zinc/67/65/79/982676579.db2.gz QNCQIFWWIWSYNC-KRWDZBQOSA-N 1 0 401.580 3.581 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460948642 982683560 /nfs/dbraw/zinc/68/35/60/982683560.db2.gz JTCZIRSVVHUFLL-IBGZPJMESA-N 1 0 403.534 3.584 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460952002 982685573 /nfs/dbraw/zinc/68/55/73/982685573.db2.gz NLVNOUHWPDNPPH-RBUKOAKNSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460952000 982685654 /nfs/dbraw/zinc/68/56/54/982685654.db2.gz NLVNOUHWPDNPPH-MOPGFXCFSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460956271 982689363 /nfs/dbraw/zinc/68/93/63/982689363.db2.gz FEJSLZFUWHCCBY-ZWKOTPCHSA-N 1 0 413.566 3.847 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460963249 982693710 /nfs/dbraw/zinc/69/37/10/982693710.db2.gz YDCJFGYMOXYIMC-MRXNPFEDSA-N 1 0 416.367 3.957 20 30 HHEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000438348512 982737071 /nfs/dbraw/zinc/73/70/71/982737071.db2.gz SFTNGAOPCQYHGX-UHFFFAOYSA-N 1 0 416.529 3.761 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000438475444 982824629 /nfs/dbraw/zinc/82/46/29/982824629.db2.gz CJXVTQFZENOCCL-UHFFFAOYSA-N 1 0 405.477 3.817 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461217310 982929220 /nfs/dbraw/zinc/92/92/20/982929220.db2.gz HGXUXCIUARIUNC-PKTZIBPZSA-N 1 0 405.542 3.915 20 30 HHEDRO N#Cc1ccc(C[N@@H+](CCc2nnnn2-c2ccccc2)Cc2cccc(F)c2)cc1 ZINC000438726838 983027793 /nfs/dbraw/zinc/02/77/93/983027793.db2.gz ABKUMEKXVWEYQZ-UHFFFAOYSA-N 1 0 412.472 3.918 20 30 HHEDRO N#CCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000438832955 983102893 /nfs/dbraw/zinc/10/28/93/983102893.db2.gz DFRJIOGOMSSKBA-HSZRJFAPSA-N 1 0 401.514 3.821 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000438836029 983104990 /nfs/dbraw/zinc/10/49/90/983104990.db2.gz DRHUHHSERAPGBY-ZEQRLZLVSA-N 1 0 419.573 3.709 20 30 HHEDRO N#Cc1ccc(CSCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461441995 983106887 /nfs/dbraw/zinc/10/68/87/983106887.db2.gz CXUSPUYUUWVLFS-GOTSBHOMSA-N 1 0 405.567 3.772 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461458770 983125778 /nfs/dbraw/zinc/12/57/78/983125778.db2.gz UYCVUKLOYIVVTJ-VXKWHMMOSA-N 1 0 403.526 3.696 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](OCc3ccncc3)C1)CCCCC2 ZINC000439000364 983202778 /nfs/dbraw/zinc/20/27/78/983202778.db2.gz AEFWCMFYQFKWJX-GOSISDBHSA-N 1 0 424.570 3.903 20 30 HHEDRO C[NH+](C)CC(C)(C)CN(C(=O)c1cccc(C#N)c1)c1ccc(Br)cn1 ZINC000439295461 983350266 /nfs/dbraw/zinc/35/02/66/983350266.db2.gz IOSWKMFMLVOMLB-UHFFFAOYSA-N 1 0 415.335 3.950 20 30 HHEDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000439328171 983367425 /nfs/dbraw/zinc/36/74/25/983367425.db2.gz WXRWTRWXZKMQJA-CEMLEFRQSA-N 1 0 422.598 3.725 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000439368717 983381958 /nfs/dbraw/zinc/38/19/58/983381958.db2.gz HXVLIDCXMXIVOP-UHFFFAOYSA-N 1 0 407.514 3.855 20 30 HHEDRO CCCc1c(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439669257 983493319 /nfs/dbraw/zinc/49/33/19/983493319.db2.gz WJAUOMUDNWAIIO-ROUUACIJSA-N 1 0 408.550 3.938 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1)C(C)C ZINC000439988412 983607101 /nfs/dbraw/zinc/60/71/01/983607101.db2.gz NFSDOKDLYFYTMO-LJQANCHMSA-N 1 0 419.957 3.690 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000440182261 983673269 /nfs/dbraw/zinc/67/32/69/983673269.db2.gz DWSOGIPLHAZLTM-SFHVURJKSA-N 1 0 423.517 3.913 20 30 HHEDRO COc1cc(NC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)cc(OC)c1 ZINC000440550160 983793079 /nfs/dbraw/zinc/79/30/79/983793079.db2.gz ZITXAULWEQUWBG-UHFFFAOYSA-N 1 0 414.531 3.542 20 30 HHEDRO COc1cc[nH+]c(N2CCN(c3c(C#N)cnc4c(Br)cccc43)CC2)c1 ZINC000440645160 983836583 /nfs/dbraw/zinc/83/65/83/983836583.db2.gz QGEJXXJPFFTGBQ-UHFFFAOYSA-N 1 0 424.302 3.599 20 30 HHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H]1[NH+]1CCCC1 ZINC000440652044 983839470 /nfs/dbraw/zinc/83/94/70/983839470.db2.gz WMAAZCUYJSNRFT-IRXDYDNUSA-N 1 0 417.376 3.885 20 30 HHEDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000440723715 983869391 /nfs/dbraw/zinc/86/93/91/983869391.db2.gz DUILYOFEMCEFBK-QGZVFWFLSA-N 1 0 400.567 3.914 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c1 ZINC000440806190 983914671 /nfs/dbraw/zinc/91/46/71/983914671.db2.gz ZWKLJPJPYZVUSN-UHFFFAOYSA-N 1 0 423.513 3.612 20 30 HHEDRO COc1cc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)ccc1C#N ZINC000440831727 983928088 /nfs/dbraw/zinc/92/80/88/983928088.db2.gz NMRMEMZMJGONBD-QRWLVFNGSA-N 1 0 417.912 3.911 20 30 HHEDRO CCCCNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCCCC1 ZINC000440896637 983957919 /nfs/dbraw/zinc/95/79/19/983957919.db2.gz PEFMHLWJRREDFG-UHFFFAOYSA-N 1 0 412.578 3.759 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1 ZINC000440917033 983972437 /nfs/dbraw/zinc/97/24/37/983972437.db2.gz ZBONCZXASOMIJG-FQEVSTJZSA-N 1 0 416.481 3.527 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(COC)sc2-c2ccccc2)CC1 ZINC000441035902 984035003 /nfs/dbraw/zinc/03/50/03/984035003.db2.gz WDJPWNYMQUNJOA-UHFFFAOYSA-N 1 0 414.575 3.796 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441354340 984203649 /nfs/dbraw/zinc/20/36/49/984203649.db2.gz MXMIBPCMFCCRLA-CTNGQTDRSA-N 1 0 409.505 4.000 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000441405308 984234623 /nfs/dbraw/zinc/23/46/23/984234623.db2.gz AEPHUOVGEDCDOD-ZWKOTPCHSA-N 1 0 416.591 3.648 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441412145 984237931 /nfs/dbraw/zinc/23/79/31/984237931.db2.gz IBOKSSSTBIUMAL-QAPCUYQASA-N 1 0 424.467 3.532 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)c1 ZINC000441445573 984255458 /nfs/dbraw/zinc/25/54/58/984255458.db2.gz GLKOQNJFJNDTEA-GHTZIAJQSA-N 1 0 401.551 3.597 20 30 HHEDRO N#CC1CCC(C[NH2+][C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000442109867 984640883 /nfs/dbraw/zinc/64/08/83/984640883.db2.gz LWQDPSURIOGNJR-KXXGJQBSSA-N 1 0 405.498 3.692 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC(F)(F)F ZINC000442209691 984728831 /nfs/dbraw/zinc/72/88/31/984728831.db2.gz SMXUOIHGFKJUBK-GUYCJALGSA-N 1 0 408.424 3.937 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OC(F)(F)F ZINC000442209687 984728931 /nfs/dbraw/zinc/72/89/31/984728931.db2.gz SMXUOIHGFKJUBK-CXAGYDPISA-N 1 0 408.424 3.937 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000461727574 984742529 /nfs/dbraw/zinc/74/25/29/984742529.db2.gz GBAIIUCJXVLSMC-BWAGFHJFSA-N 1 0 422.577 3.552 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(O[C@@H](C)c3ccccc3)cc2C)CC1 ZINC000442282955 984788988 /nfs/dbraw/zinc/78/89/88/984788988.db2.gz DQDRVSXPBIVUPO-IBGZPJMESA-N 1 0 421.541 3.840 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)CC1 ZINC000442307818 984804534 /nfs/dbraw/zinc/80/45/34/984804534.db2.gz NTARJEQGVWUUIG-UHFFFAOYSA-N 1 0 405.542 3.567 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C[C@H]1C ZINC000461849999 984861844 /nfs/dbraw/zinc/86/18/44/984861844.db2.gz KCQMAXZHCYPWJJ-BVYCBKJFSA-N 1 0 422.577 3.695 20 30 HHEDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000462028141 985005452 /nfs/dbraw/zinc/00/54/52/985005452.db2.gz VZEOTEQACPNYJY-UHFFFAOYSA-N 1 0 410.521 3.632 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000462185983 985167863 /nfs/dbraw/zinc/16/78/63/985167863.db2.gz IXAVBWWFQUSGOJ-GCJKJVERSA-N 1 0 415.493 3.981 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000462185982 985168046 /nfs/dbraw/zinc/16/80/46/985168046.db2.gz IXAVBWWFQUSGOJ-AVRDEDQJSA-N 1 0 415.493 3.981 20 30 HHEDRO C[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000462215620 985195997 /nfs/dbraw/zinc/19/59/97/985195997.db2.gz RCHCPXAWAQTNMP-FQEVSTJZSA-N 1 0 405.542 3.849 20 30 HHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000442774865 985211700 /nfs/dbraw/zinc/21/17/00/985211700.db2.gz FLVQGUDDBUUVQO-UHFFFAOYSA-N 1 0 410.461 3.962 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443036306 985346940 /nfs/dbraw/zinc/34/69/40/985346940.db2.gz DSRUINBYBVNXIN-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000462469141 985427510 /nfs/dbraw/zinc/42/75/10/985427510.db2.gz AXNXDCBGZIEVGC-PKTZIBPZSA-N 1 0 406.530 3.552 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443491687 985665916 /nfs/dbraw/zinc/66/59/16/985665916.db2.gz OAZGIVMKKKWKRR-UHFFFAOYSA-N 1 0 411.412 3.861 20 30 HHEDRO C[C@@H]([NH2+]C1(CNc2ccc(C(F)(F)F)c(C#N)n2)CCOCC1)c1ccccc1 ZINC000443508673 985680220 /nfs/dbraw/zinc/68/02/20/985680220.db2.gz JDTJACFNECMCAB-OAHLLOKOSA-N 1 0 404.436 4.284 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)ccc1OC ZINC000462759868 985698078 /nfs/dbraw/zinc/69/80/78/985698078.db2.gz YYFUUZXSCDHIFD-FSSWDIPSSA-N 1 0 406.526 3.897 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000462783283 985718159 /nfs/dbraw/zinc/71/81/59/985718159.db2.gz LUDJPPFWKUWKCL-UHFFFAOYSA-N 1 0 419.485 4.347 20 30 HHEDRO COCC[N@H+](C)CC[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000462826687 985749566 /nfs/dbraw/zinc/74/95/66/985749566.db2.gz ROCXSAWVFYPBBW-OAQYLSRUSA-N 1 0 419.485 4.136 20 30 HHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000443679053 985890121 /nfs/dbraw/zinc/89/01/21/985890121.db2.gz YRABCEILWWFYIG-WOJBJXKFSA-N 1 0 421.541 3.756 20 30 HHEDRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)ccc1C#N ZINC000463038662 985997815 /nfs/dbraw/zinc/99/78/15/985997815.db2.gz YZNCRWIBFRONQP-CQSZACIVSA-N 1 0 419.319 3.941 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000468334889 986031076 /nfs/dbraw/zinc/03/10/76/986031076.db2.gz YLNUAPVYUJPEJR-AWEZNQCLSA-N 1 0 410.356 3.858 20 30 HHEDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1C#N ZINC000443910229 986109183 /nfs/dbraw/zinc/10/91/83/986109183.db2.gz URAXZGFBDZICGE-QHCPKHFHSA-N 1 0 409.555 3.544 20 30 HHEDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000443943536 986151305 /nfs/dbraw/zinc/15/13/05/986151305.db2.gz BZJBTOWJGYUOLB-UHFFFAOYSA-N 1 0 407.474 3.823 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000463203107 986174589 /nfs/dbraw/zinc/17/45/89/986174589.db2.gz JKADYILHQIIMJX-ZRBLBEILSA-N 1 0 413.562 3.738 20 30 HHEDRO COc1cccc(-c2noc([C@@H](C)NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000463208617 986180017 /nfs/dbraw/zinc/18/00/17/986180017.db2.gz XZZNZQRMCSOWFT-QGZVFWFLSA-N 1 0 417.513 3.932 20 30 HHEDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(OCc4ccccc4C#N)c3)C2)n(C)n1 ZINC000444012526 986207787 /nfs/dbraw/zinc/20/77/87/986207787.db2.gz VGNAHYCJHPYDDS-QHCPKHFHSA-N 1 0 415.541 3.938 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CCOCC1)c1ccccc1 ZINC000444023240 986215532 /nfs/dbraw/zinc/21/55/32/986215532.db2.gz TXAPBKLUXHIKLB-LJQANCHMSA-N 1 0 403.526 3.606 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 ZINC000463251297 986219686 /nfs/dbraw/zinc/21/96/86/986219686.db2.gz CZFDQBRAOCUIHS-QHCPKHFHSA-N 1 0 422.960 3.567 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463275209 986242275 /nfs/dbraw/zinc/24/22/75/986242275.db2.gz URPXEEWVFSIVIF-PGRDOPGGSA-N 1 0 408.502 3.813 20 30 HHEDRO Cc1ccc2c(CCNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cn(C)c2c1 ZINC000444116132 986315524 /nfs/dbraw/zinc/31/55/24/986315524.db2.gz VKWSBMSLXCILEQ-UHFFFAOYSA-N 1 0 417.557 3.674 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444197058 986375287 /nfs/dbraw/zinc/37/52/87/986375287.db2.gz RHIMNBLBICWCII-RTBURBONSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@](CO)(c4ccccc4)C3)sc2C1 ZINC000463429434 986400156 /nfs/dbraw/zinc/40/01/56/986400156.db2.gz JLJJDGGSAMKOBW-MZNJEOGPSA-N 1 0 423.582 3.709 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444341977 986521089 /nfs/dbraw/zinc/52/10/89/986521089.db2.gz UFTNTLIOVACXCA-UHFFFAOYSA-N 1 0 404.514 3.855 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000468829572 986539467 /nfs/dbraw/zinc/53/94/67/986539467.db2.gz DHPCHXVNPZEHPD-SJORKVTESA-N 1 0 422.504 3.608 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000463658413 986639245 /nfs/dbraw/zinc/63/92/45/986639245.db2.gz QKQSPGXGVYXGEY-UHFFFAOYSA-N 1 0 421.476 3.850 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC3CC[NH+](Cc4ccccn4)CC3)ccc21 ZINC000469013569 986720948 /nfs/dbraw/zinc/72/09/48/986720948.db2.gz MIHRKOLRCNSXTM-UHFFFAOYSA-N 1 0 403.530 3.741 20 30 HHEDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444602188 986788648 /nfs/dbraw/zinc/78/86/48/986788648.db2.gz YWBLASSOLYLONT-VXKWHMMOSA-N 1 0 419.569 3.749 20 30 HHEDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000444754953 986917170 /nfs/dbraw/zinc/91/71/70/986917170.db2.gz VFTYGNRIJQYVAH-MOPGFXCFSA-N 1 0 412.578 3.724 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(CO)(Cc3ccccc3)CC1)CCC2 ZINC000444790645 986945940 /nfs/dbraw/zinc/94/59/40/986945940.db2.gz JQLVREQOFHVGAX-UHFFFAOYSA-N 1 0 423.582 3.754 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469224062 986946614 /nfs/dbraw/zinc/94/66/14/986946614.db2.gz ZCGWUIKYBUBAMQ-LAUBAEHRSA-N 1 0 400.482 3.854 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1CC(C)(C)O ZINC000444831502 986988874 /nfs/dbraw/zinc/98/88/74/986988874.db2.gz ZQIJLGJIMPYECD-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000469351771 987054209 /nfs/dbraw/zinc/05/42/09/987054209.db2.gz VMLUPPUNTBGBFI-KGLIPLIRSA-N 1 0 408.340 3.839 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c(Cl)cc2OC)CC1 ZINC000469376545 987073311 /nfs/dbraw/zinc/07/33/11/987073311.db2.gz FVCTXKXQMOLZKK-UHFFFAOYSA-N 1 0 401.732 3.881 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469490775 987171259 /nfs/dbraw/zinc/17/12/59/987171259.db2.gz XOQJNAHFLYJYAI-KBXCAEBGSA-N 1 0 405.420 3.763 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000469722792 987374833 /nfs/dbraw/zinc/37/48/33/987374833.db2.gz HJWFUWVRNYEETJ-MRXNPFEDSA-N 1 0 422.495 3.553 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000469869724 987507916 /nfs/dbraw/zinc/50/79/16/987507916.db2.gz FUPLILRWCYCNFJ-XMMPIXPASA-N 1 0 421.541 3.515 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1 ZINC000469938192 987562702 /nfs/dbraw/zinc/56/27/02/987562702.db2.gz IQWQZGWKNARHNJ-OAQYLSRUSA-N 1 0 405.546 3.959 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1 ZINC000470125363 988028487 /nfs/dbraw/zinc/02/84/87/988028487.db2.gz WZHTWSUBSCGNAM-UHFFFAOYSA-N 1 0 404.518 3.631 20 30 HHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000470216315 988142283 /nfs/dbraw/zinc/14/22/83/988142283.db2.gz RBYAOWOHXXJXGS-OAQYLSRUSA-N 1 0 403.526 3.941 20 30 HHEDRO N#CC1(NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000464160533 988282759 /nfs/dbraw/zinc/28/27/59/988282759.db2.gz QBSDBFYXVKCZRW-MSOLQXFVSA-N 1 0 413.443 3.882 20 30 HHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470557994 988573784 /nfs/dbraw/zinc/57/37/84/988573784.db2.gz ZGHVBQNFJUQZRM-UHFFFAOYSA-N 1 0 411.550 3.511 20 30 HHEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000464429519 988601360 /nfs/dbraw/zinc/60/13/60/988601360.db2.gz WKQVGMDYGSTLKD-KRWDZBQOSA-N 1 0 413.543 3.509 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000464770943 988994847 /nfs/dbraw/zinc/99/48/47/988994847.db2.gz FKBIIXPGHBOLGM-QFIPXVFZSA-N 1 0 421.589 3.627 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464779542 989006254 /nfs/dbraw/zinc/00/62/54/989006254.db2.gz UJYUVJXYKAFLIZ-IRXDYDNUSA-N 1 0 402.608 3.879 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843022 989090401 /nfs/dbraw/zinc/09/04/01/989090401.db2.gz ORVVJEUXIADMOQ-RBBKRZOGSA-N 1 0 422.548 3.915 20 30 HHEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000471020444 989091127 /nfs/dbraw/zinc/09/11/27/989091127.db2.gz USYFHCKKZHDRSL-NRFANRHFSA-N 1 0 416.997 3.807 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1C#N ZINC000464858502 989112785 /nfs/dbraw/zinc/11/27/85/989112785.db2.gz WXUJETLJPNNOQU-DYESRHJHSA-N 1 0 410.493 3.544 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464901795 989173465 /nfs/dbraw/zinc/17/34/65/989173465.db2.gz PYTZXUFSBRSYOF-FQEVSTJZSA-N 1 0 421.541 3.849 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000471248948 989395133 /nfs/dbraw/zinc/39/51/33/989395133.db2.gz FYDASSILZSFSDC-UHFFFAOYSA-N 1 0 424.467 3.529 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471249649 989395914 /nfs/dbraw/zinc/39/59/14/989395914.db2.gz JOMVQYQUVWBGRD-UHFFFAOYSA-N 1 0 410.440 3.884 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000471287803 989444467 /nfs/dbraw/zinc/44/44/67/989444467.db2.gz PGELSKIKYMOCGZ-OAQYLSRUSA-N 1 0 415.493 3.982 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(Br)s1 ZINC000471301491 989462894 /nfs/dbraw/zinc/46/28/94/989462894.db2.gz QSIVGNGZERXNAI-UHFFFAOYSA-N 1 0 406.349 3.895 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465182810 989517618 /nfs/dbraw/zinc/51/76/18/989517618.db2.gz HQDLZXHXGHGGAO-GOSISDBHSA-N 1 0 423.561 3.706 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2)nc1 ZINC000471381918 989560673 /nfs/dbraw/zinc/56/06/73/989560673.db2.gz YHDQEONQLHMNOH-ZRZAMGCNSA-N 1 0 424.504 3.950 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000465521416 989874672 /nfs/dbraw/zinc/87/46/72/989874672.db2.gz HFQJFMSGGCUFQE-HXUWFJFHSA-N 1 0 400.885 3.987 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471747989 989943457 /nfs/dbraw/zinc/94/34/57/989943457.db2.gz GVVDPLICGQGHBM-DVECYGJZSA-N 1 0 400.526 3.789 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471747990 989943504 /nfs/dbraw/zinc/94/35/04/989943504.db2.gz GVVDPLICGQGHBM-NTKDMRAZSA-N 1 0 400.526 3.789 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)C2)n1 ZINC000471864401 990036538 /nfs/dbraw/zinc/03/65/38/990036538.db2.gz RZAMXZISLQWDPT-DENIHFKCSA-N 1 0 419.573 3.724 20 30 HHEDRO C[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000465683174 990067693 /nfs/dbraw/zinc/06/76/93/990067693.db2.gz DQHADJBEOAVKBJ-FOVJLYNBSA-N 1 0 402.542 3.915 20 30 HHEDRO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466042179 991212317 /nfs/dbraw/zinc/21/23/17/991212317.db2.gz KDOJBIHIFJROPP-UKILVPOCSA-N 1 0 418.541 3.514 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H]1c1cccs1 ZINC000466072582 991246057 /nfs/dbraw/zinc/24/60/57/991246057.db2.gz BRHUPRCCBVSNKM-SIKLNZKXSA-N 1 0 423.586 3.534 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000466202803 991402509 /nfs/dbraw/zinc/40/25/09/991402509.db2.gz RSLATEUAZZZWSH-UHFFFAOYSA-N 1 0 415.900 3.814 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000466218427 991432655 /nfs/dbraw/zinc/43/26/55/991432655.db2.gz AFXBVVIJOATKPA-UHFFFAOYSA-N 1 0 405.340 3.770 20 30 HHEDRO COc1ccc(-c2cncc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2)cc1 ZINC000466281718 991528445 /nfs/dbraw/zinc/52/84/45/991528445.db2.gz VPCFXQRHMHGFPD-UHFFFAOYSA-N 1 0 414.509 3.833 20 30 HHEDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000466423073 991713380 /nfs/dbraw/zinc/71/33/80/991713380.db2.gz QCTQLOWSDFVGSU-UHFFFAOYSA-N 1 0 408.527 3.547 20 30 HHEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000466432622 991721399 /nfs/dbraw/zinc/72/13/99/991721399.db2.gz YDCFSKJVXGDUIN-QGZVFWFLSA-N 1 0 412.484 3.857 20 30 HHEDRO COc1ccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+]2CCCC2)cc1 ZINC000466625925 991941567 /nfs/dbraw/zinc/94/15/67/991941567.db2.gz NPZOESUQSGMVCJ-FQEVSTJZSA-N 1 0 423.517 3.731 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCN2CCc3ccccc3C2=O)c1 ZINC000466909598 992224971 /nfs/dbraw/zinc/22/49/71/992224971.db2.gz MOBQWWGJNMIAIP-UHFFFAOYSA-N 1 0 411.505 3.925 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)s2)CC1 ZINC000467185785 992507721 /nfs/dbraw/zinc/50/77/21/992507721.db2.gz HICRAWRVESHAFW-UHFFFAOYSA-N 1 0 413.543 3.779 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2)C(C)C ZINC000467720711 992974711 /nfs/dbraw/zinc/97/47/11/992974711.db2.gz BWWVUMGXUNRVPU-OAQYLSRUSA-N 1 0 413.566 3.599 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000467756107 993001211 /nfs/dbraw/zinc/00/12/11/993001211.db2.gz CSACTPMSNBANPB-MAUKXSAKSA-N 1 0 406.555 3.945 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000467818257 993052064 /nfs/dbraw/zinc/05/20/64/993052064.db2.gz YQQPZRPWXXSDGG-UHFFFAOYSA-N 1 0 408.546 3.654 20 30 HHEDRO CO[C@@H](C)C[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C(C)C ZINC000472246478 993273447 /nfs/dbraw/zinc/27/34/47/993273447.db2.gz ZPYZHJRCUSBLMA-INIZCTEOSA-N 1 0 400.523 3.692 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472459637 993461560 /nfs/dbraw/zinc/46/15/60/993461560.db2.gz OIYPONPNOSPWBY-HKUYNNGSSA-N 1 0 400.592 3.683 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000472503389 993501178 /nfs/dbraw/zinc/50/11/78/993501178.db2.gz RVQBVEVQJTWKJR-OALUTQOASA-N 1 0 421.589 3.619 20 30 HHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000480727397 993594832 /nfs/dbraw/zinc/59/48/32/993594832.db2.gz JSFCRPKRPKOVLN-LPHOPBHVSA-N 1 0 401.919 3.517 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481029129 993873481 /nfs/dbraw/zinc/87/34/81/993873481.db2.gz WWGVNTCFFCCMDB-LAUBAEHRSA-N 1 0 415.534 3.685 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)c2)CC1 ZINC000481041253 993886471 /nfs/dbraw/zinc/88/64/71/993886471.db2.gz BGVBULWNRSNABH-UHFFFAOYSA-N 1 0 415.534 3.549 20 30 HHEDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH2+][C@@H](C)c1ccccc1 ZINC000481055278 993897599 /nfs/dbraw/zinc/89/75/99/993897599.db2.gz HMLMGEAAQUGUDS-UWJYYQICSA-N 1 0 417.550 3.882 20 30 HHEDRO C[C@@H](CCNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000473022250 993941610 /nfs/dbraw/zinc/94/16/10/993941610.db2.gz LSHGAMRVQVURRC-NRFANRHFSA-N 1 0 419.573 3.691 20 30 HHEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167707 993998374 /nfs/dbraw/zinc/99/83/74/993998374.db2.gz LWLSINLAXLOUFE-WWMYMODYSA-N 1 0 422.598 3.936 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182128 994012054 /nfs/dbraw/zinc/01/20/54/994012054.db2.gz OXIPMWNHVFFACA-TWFYYEESSA-N 1 0 410.606 3.806 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000481547759 994379490 /nfs/dbraw/zinc/37/94/90/994379490.db2.gz XCTHNNHZRGFNQM-NQIIRXRSSA-N 1 0 400.567 3.903 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)on2)c1 ZINC000473527245 994383015 /nfs/dbraw/zinc/38/30/15/994383015.db2.gz SYUIJOSRVZTWNP-UHFFFAOYSA-N 1 0 418.419 3.748 20 30 HHEDRO C=C(C)[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000481626806 994491458 /nfs/dbraw/zinc/49/14/58/994491458.db2.gz XTSGVEITAXLTKM-OAQYLSRUSA-N 1 0 422.497 3.994 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000481649980 994512877 /nfs/dbraw/zinc/51/28/77/994512877.db2.gz KDCLDWYCUWPXJL-DEOSSOPVSA-N 1 0 408.590 3.640 20 30 HHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000481843159 994697924 /nfs/dbraw/zinc/69/79/24/994697924.db2.gz TUOVDFGWFGDDBB-PVAVHDDUSA-N 1 0 403.548 3.923 20 30 HHEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C(N)=O)cc1 ZINC000473794416 994719009 /nfs/dbraw/zinc/71/90/09/994719009.db2.gz LAHUKUVGRWSMRA-QFBILLFUSA-N 1 0 403.313 3.650 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(-c3cccc(Br)c3)s2)CC1 ZINC000481957184 994840634 /nfs/dbraw/zinc/84/06/34/994840634.db2.gz KUGRBOOAGLHYNK-UHFFFAOYSA-N 1 0 422.352 3.740 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000482001462 994903160 /nfs/dbraw/zinc/90/31/60/994903160.db2.gz UJOFYRQVGNOVHQ-NRFANRHFSA-N 1 0 413.518 3.795 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)CSCc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482018004 994928127 /nfs/dbraw/zinc/92/81/27/994928127.db2.gz KMCWLENFZYSKCF-UPVQGACJSA-N 1 0 421.566 3.894 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000482074700 995010180 /nfs/dbraw/zinc/01/01/80/995010180.db2.gz BBMCPTSKLCTVST-UHFFFAOYSA-N 1 0 422.920 3.993 20 30 HHEDRO CC[NH+](CC)CCn1c(NC(=O)CSc2ccc(C#N)cc2)nc2ccccc21 ZINC000482151686 995105002 /nfs/dbraw/zinc/10/50/02/995105002.db2.gz IPPRTNRNQNUANK-UHFFFAOYSA-N 1 0 407.543 3.981 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000474162293 995147004 /nfs/dbraw/zinc/14/70/04/995147004.db2.gz ZXMWQACNUXAHDX-KRWDZBQOSA-N 1 0 404.461 3.645 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1 ZINC000482387943 995372744 /nfs/dbraw/zinc/37/27/44/995372744.db2.gz PILIZQXZXIUIAA-OAHLLOKOSA-N 1 0 407.383 3.841 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000474575547 995537239 /nfs/dbraw/zinc/53/72/39/995537239.db2.gz MPBVUHLSQDEZMC-UGSOOPFHSA-N 1 0 411.449 3.547 20 30 HHEDRO Cc1nc(-c2c[nH]c(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2)cs1 ZINC000482644714 995639324 /nfs/dbraw/zinc/63/93/24/995639324.db2.gz YDSFOWMWDZZJRC-UHFFFAOYSA-N 1 0 405.527 3.735 20 30 HHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)cc1OC ZINC000482826375 995775061 /nfs/dbraw/zinc/77/50/61/995775061.db2.gz KSZMLALNGXMBRS-ZJSXRUAMSA-N 1 0 422.525 3.976 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000482889404 995820665 /nfs/dbraw/zinc/82/06/65/995820665.db2.gz LWUIHOZJODNJQB-NQIIRXRSSA-N 1 0 408.521 3.854 20 30 HHEDRO COc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000482978334 995896827 /nfs/dbraw/zinc/89/68/27/995896827.db2.gz HHRDJDGFXDGUJO-UHFFFAOYSA-N 1 0 412.921 3.638 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000475095861 995919415 /nfs/dbraw/zinc/91/94/15/995919415.db2.gz KWOUIMMXMFKAQS-UHFFFAOYSA-N 1 0 408.893 3.667 20 30 HHEDRO CC1(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000483131448 995993665 /nfs/dbraw/zinc/99/36/65/995993665.db2.gz ZUCDGFMFDDAIEO-UHFFFAOYSA-N 1 0 420.532 3.648 20 30 HHEDRO Cn1cc(C[NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000475346107 996081194 /nfs/dbraw/zinc/08/11/94/996081194.db2.gz ATLCHIPLZLAJAM-UHFFFAOYSA-N 1 0 417.479 3.854 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000475391078 996108686 /nfs/dbraw/zinc/10/86/86/996108686.db2.gz ROUATGRPSCSXHB-UHFFFAOYSA-N 1 0 422.529 3.949 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCCc1ccc(F)c(F)c1 ZINC000483357820 996122477 /nfs/dbraw/zinc/12/24/77/996122477.db2.gz OCUONTYIFXMBMJ-UHFFFAOYSA-N 1 0 414.500 3.933 20 30 HHEDRO C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000475444229 996143752 /nfs/dbraw/zinc/14/37/52/996143752.db2.gz HPDDYPKUWNGUMU-UYAOXDASSA-N 1 0 408.521 3.842 20 30 HHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000475450676 996148804 /nfs/dbraw/zinc/14/88/04/996148804.db2.gz XFCVBBYJYCNVJA-HXUWFJFHSA-N 1 0 420.513 3.622 20 30 HHEDRO C[N@@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@@H]21 ZINC000483488265 996213373 /nfs/dbraw/zinc/21/33/73/996213373.db2.gz JBFCBNINKDDCFX-APWZRJJASA-N 1 0 400.592 3.633 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000475555131 996217060 /nfs/dbraw/zinc/21/70/60/996217060.db2.gz KSTMCSLUSNMFKG-HXUWFJFHSA-N 1 0 400.567 3.603 20 30 HHEDRO CCOC(=O)C1(COC)CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000475620858 996254598 /nfs/dbraw/zinc/25/45/98/996254598.db2.gz FZQUGPZVBDBIKY-UHFFFAOYSA-N 1 0 422.525 3.929 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)sc2c1CCCC2 ZINC000475679940 996295781 /nfs/dbraw/zinc/29/57/81/996295781.db2.gz NTSNJMREYSUYHR-DEOSSOPVSA-N 1 0 423.582 3.897 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000483630637 996296760 /nfs/dbraw/zinc/29/67/60/996296760.db2.gz CGVAMFZTDOFJDX-UHFFFAOYSA-N 1 0 410.587 3.712 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc2cccc(F)c2o1 ZINC000475693389 996305234 /nfs/dbraw/zinc/30/52/34/996305234.db2.gz DEUKDAVHKKMTLX-CQSZACIVSA-N 1 0 403.417 3.919 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000483657152 996312542 /nfs/dbraw/zinc/31/25/42/996312542.db2.gz HSQFOPXTCMCQJC-UHFFFAOYSA-N 1 0 422.529 3.760 20 30 HHEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1)OCC ZINC000475755500 996351380 /nfs/dbraw/zinc/35/13/80/996351380.db2.gz YNTLBMQBIJQGOK-LJQANCHMSA-N 1 0 424.383 3.506 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNS(=O)(=O)CC3(C#N)CCCCC3)c2)CC1 ZINC000475756406 996351716 /nfs/dbraw/zinc/35/17/16/996351716.db2.gz DLYHHPOTTYOKOG-UHFFFAOYSA-N 1 0 403.592 3.812 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000475787152 996371281 /nfs/dbraw/zinc/37/12/81/996371281.db2.gz FNBMCEZWLYJWEN-VQIMIIECSA-N 1 0 417.962 3.885 20 30 HHEDRO CC(C)(C#N)c1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000476097332 996593209 /nfs/dbraw/zinc/59/32/09/996593209.db2.gz RQGBXSYZCAUISP-UHFFFAOYSA-N 1 0 409.505 3.900 20 30 HHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000484534020 996866036 /nfs/dbraw/zinc/86/60/36/996866036.db2.gz SSIOEDHQQZEXOB-UHFFFAOYSA-N 1 0 410.518 3.950 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484669074 997008617 /nfs/dbraw/zinc/00/86/17/997008617.db2.gz JRBVVQZYMNPNFE-FALJEUHXSA-N 1 0 414.638 3.653 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)c(F)c1 ZINC000476845809 997411144 /nfs/dbraw/zinc/41/11/44/997411144.db2.gz JDKBNAFABIWYAJ-NRFANRHFSA-N 1 0 400.473 3.941 20 30 HHEDRO C=C(C)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC000476855180 997425339 /nfs/dbraw/zinc/42/53/39/997425339.db2.gz WYEZPJONVNWCCJ-OAQYLSRUSA-N 1 0 400.473 3.941 20 30 HHEDRO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@H]1CC=CCC1 ZINC000485107040 997487735 /nfs/dbraw/zinc/48/77/35/997487735.db2.gz MIFHYCLEBAXSHZ-FQEVSTJZSA-N 1 0 424.545 3.861 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477004733 997636328 /nfs/dbraw/zinc/63/63/28/997636328.db2.gz PYVNYWGWKHXWLR-HRAATJIYSA-N 1 0 400.885 3.572 20 30 HHEDRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485323725 997736191 /nfs/dbraw/zinc/73/61/91/997736191.db2.gz VNHZWKGGSNGOHB-GOSISDBHSA-N 1 0 414.303 3.615 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000477106663 997759261 /nfs/dbraw/zinc/75/92/61/997759261.db2.gz ISXGRFIQCFFONP-IBGZPJMESA-N 1 0 408.502 3.891 20 30 HHEDRO C=C(C)[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1 ZINC000477190977 997861223 /nfs/dbraw/zinc/86/12/23/997861223.db2.gz JEHYGWNZQGUEOR-SIKLNZKXSA-N 1 0 415.484 3.648 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)cc1F ZINC000477387283 998074381 /nfs/dbraw/zinc/07/43/81/998074381.db2.gz RXVQKMUMMNVMBD-UHFFFAOYSA-N 1 0 407.445 3.861 20 30 HHEDRO COc1ccc(NC(=O)CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1Cl ZINC000485692198 998152781 /nfs/dbraw/zinc/15/27/81/998152781.db2.gz YUHKUJAISISSEM-HXUWFJFHSA-N 1 0 412.921 3.560 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cc(F)cc(Br)c1 ZINC000485841387 998306598 /nfs/dbraw/zinc/30/65/98/998306598.db2.gz IACPIBRXOSPSSB-GOSISDBHSA-N 1 0 404.283 3.817 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477685865 998398190 /nfs/dbraw/zinc/39/81/90/998398190.db2.gz BCSHPROTQCHGKA-NRFANRHFSA-N 1 0 418.541 3.593 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000477745260 998487713 /nfs/dbraw/zinc/48/77/13/998487713.db2.gz QBAQWFRVEZXGHE-HBMCJLEFSA-N 1 0 407.505 3.649 20 30 HHEDRO N#Cc1c(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)sc2c1CCCCC2 ZINC000486243126 998671533 /nfs/dbraw/zinc/67/15/33/998671533.db2.gz JDFBYPYFTSRBHN-UHFFFAOYSA-N 1 0 400.592 3.777 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)c1C#N ZINC000486252675 998676836 /nfs/dbraw/zinc/67/68/36/998676836.db2.gz OYYSZXRZWCYGMK-UHFFFAOYSA-N 1 0 419.573 3.855 20 30 HHEDRO C=C(C)CN(C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000486297594 998701326 /nfs/dbraw/zinc/70/13/26/998701326.db2.gz HGIQJZQSQFTKDA-UHFFFAOYSA-N 1 0 412.500 3.825 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000478143474 998784008 /nfs/dbraw/zinc/78/40/08/998784008.db2.gz JOHOCNHXCPQDKE-QZTJIDSGSA-N 1 0 424.570 3.514 20 30 HHEDRO Cn1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000478194999 998816104 /nfs/dbraw/zinc/81/61/04/998816104.db2.gz JWUXRLOQRZBHOO-UHFFFAOYSA-N 1 0 401.392 3.541 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000478201834 998819899 /nfs/dbraw/zinc/81/98/99/998819899.db2.gz VZGRNDQFTFHTCE-FRIKZZABSA-N 1 0 419.525 3.502 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](c2ccccc2)C1 ZINC000478374045 998923663 /nfs/dbraw/zinc/92/36/63/998923663.db2.gz SMQYKEJSQVOVQA-SFTDATJTSA-N 1 0 401.466 3.558 20 30 HHEDRO CCOc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(Cl)c1OC ZINC000486852033 998973092 /nfs/dbraw/zinc/97/30/92/998973092.db2.gz BWGSCBOKRYYWKL-LJQANCHMSA-N 1 0 413.905 3.510 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(OC(F)F)c(Cl)c3)C2=O)cc1 ZINC000486859540 998978052 /nfs/dbraw/zinc/97/80/52/998978052.db2.gz ZJXKFQGPLBQCFS-KRWDZBQOSA-N 1 0 405.832 3.704 20 30 HHEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000486884074 998990671 /nfs/dbraw/zinc/99/06/71/998990671.db2.gz KZYCHBVFNGAQGJ-QFIPXVFZSA-N 1 0 419.916 3.597 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969437 999022059 /nfs/dbraw/zinc/02/20/59/999022059.db2.gz HJMIXMYVZQBDQI-FGZHOGPDSA-N 1 0 420.548 3.828 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969441 999022298 /nfs/dbraw/zinc/02/22/98/999022298.db2.gz HJMIXMYVZQBDQI-VXKWHMMOSA-N 1 0 420.548 3.828 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000486998566 999030830 /nfs/dbraw/zinc/03/08/30/999030830.db2.gz QYSAXSYJAHTKOC-MRXNPFEDSA-N 1 0 411.377 3.912 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000487153856 999082706 /nfs/dbraw/zinc/08/27/06/999082706.db2.gz HTHUWBVHPCFLFM-UHFFFAOYSA-N 1 0 420.513 3.953 20 30 HHEDRO N#Cc1cc(Cl)cc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000487284849 999124330 /nfs/dbraw/zinc/12/43/30/999124330.db2.gz FWKBGCZSIIPVMN-UHFFFAOYSA-N 1 0 401.919 3.778 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000478874815 999187675 /nfs/dbraw/zinc/18/76/75/999187675.db2.gz NKMUEOBXOBSQHE-UHFFFAOYSA-N 1 0 411.546 3.567 20 30 HHEDRO N#CC1(NC(=O)COc2ccc3c(c2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000479215628 999329617 /nfs/dbraw/zinc/32/96/17/999329617.db2.gz MDYVNIRUGHVSKM-UHFFFAOYSA-N 1 0 403.526 3.619 20 30 HHEDRO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479240585 999340873 /nfs/dbraw/zinc/34/08/73/999340873.db2.gz HFKRGRFVQPXFDO-PGRDOPGGSA-N 1 0 416.525 3.569 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000479246800 999345152 /nfs/dbraw/zinc/34/51/52/999345152.db2.gz RSDLETVLABVIMY-QFIPXVFZSA-N 1 0 404.514 3.559 20 30 HHEDRO N#CC1(NC(=O)COc2ccc(C(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479306077 999376143 /nfs/dbraw/zinc/37/61/43/999376143.db2.gz AGKPGLDBHUDKNK-UHFFFAOYSA-N 1 0 417.431 3.759 20 30 HHEDRO N#CC1(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479306804 999376660 /nfs/dbraw/zinc/37/66/60/999376660.db2.gz LKRHHUJODJHWCE-UHFFFAOYSA-N 1 0 418.472 3.698 20 30 HHEDRO N#CC1(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000479338572 999392714 /nfs/dbraw/zinc/39/27/14/999392714.db2.gz FJSMGANVDPLYDI-UHFFFAOYSA-N 1 0 412.493 3.742 20 30 HHEDRO N#Cc1c(C#N)c(NC2CC[NH+](Cc3ccccn3)CC2)nc2c1CCCCCC2 ZINC000479361599 999403784 /nfs/dbraw/zinc/40/37/84/999403784.db2.gz BNHQNMUVIVYINO-UHFFFAOYSA-N 1 0 400.530 3.955 20 30 HHEDRO Cc1cc(N[C@@H]2CCN(c3sccc3C#N)C2=O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479543958 999469903 /nfs/dbraw/zinc/46/99/03/999469903.db2.gz MRVOLFZYMOCCJP-OAQYLSRUSA-N 1 0 423.586 3.676 20 30 HHEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488482788 999503063 /nfs/dbraw/zinc/50/30/63/999503063.db2.gz SDSISISGYNZVSB-IERDGZPVSA-N 1 0 424.932 3.628 20 30 HHEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488497056 999507632 /nfs/dbraw/zinc/50/76/32/999507632.db2.gz KONGARNDHPQHRT-YWZLYKJASA-N 1 0 412.331 3.642 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000488502088 999509726 /nfs/dbraw/zinc/50/97/26/999509726.db2.gz RYKFAFKBHOJKMJ-AUUYWEPGSA-N 1 0 403.404 3.909 20 30 HHEDRO C=CC[C@@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)c1ccccc1 ZINC000488993590 999666766 /nfs/dbraw/zinc/66/67/66/999666766.db2.gz CFLUVLGEVAEMNC-JOCHJYFZSA-N 1 0 407.558 3.636 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](Oc3ncccc3F)C1)CCC2 ZINC000489025803 999675893 /nfs/dbraw/zinc/67/58/93/999675893.db2.gz XJKHPHTYINHFCP-CQSZACIVSA-N 1 0 414.506 3.515 20 30 HHEDRO CN1CCC(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)([NH+]2CCCCC2)CC1 ZINC000480055690 999703886 /nfs/dbraw/zinc/70/38/86/999703886.db2.gz REIPTHJLYPUINJ-UHFFFAOYSA-N 1 0 420.605 3.846 20 30 HHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000480272077 999760727 /nfs/dbraw/zinc/76/07/27/999760727.db2.gz VYSLOJODXXCTCA-YOEHRIQHSA-N 1 0 410.453 3.727 20 30 HHEDRO CC[C@@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000480394714 999788706 /nfs/dbraw/zinc/78/87/06/999788706.db2.gz OWSWZNPUPFKPLX-DVECYGJZSA-N 1 0 406.574 3.882 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489844314 999848147 /nfs/dbraw/zinc/84/81/47/999848147.db2.gz LHGFWYDKPHHPMR-GBXCKJPGSA-N 1 0 420.557 3.627 20 30 HHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000490030433 999881150 /nfs/dbraw/zinc/88/11/50/999881150.db2.gz LJTMOFAZZNIVCF-UPVQGACJSA-N 1 0 402.542 3.508 20 30 HHEDRO C=CCCCS(=O)(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000490057782 999886719 /nfs/dbraw/zinc/88/67/19/999886719.db2.gz TXPXSZDIOMLVPY-HSZRJFAPSA-N 1 0 413.587 3.844 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000490479158 999964143 /nfs/dbraw/zinc/96/41/43/999964143.db2.gz JWFNAQWGLMHEGT-UHFFFAOYSA-N 1 0 424.932 3.521 20 30 HHEDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1OCc1cccc(C#N)c1 ZINC000490653809 999989310 /nfs/dbraw/zinc/98/93/10/999989310.db2.gz RXRZXEXVGIEAOE-FCHUYYIVSA-N 1 0 419.525 3.636 20 30 HHEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000491146865 1000050137 /nfs/dbraw/zinc/05/01/37/1000050137.db2.gz PGUFLRXYVKDMHQ-HXUWFJFHSA-N 1 0 414.513 3.513 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@H](CO)C(C)C)cc1 ZINC000491410460 1000072689 /nfs/dbraw/zinc/07/26/89/1000072689.db2.gz PAMIHBZZXPRWPZ-HXUWFJFHSA-N 1 0 415.559 3.703 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000491501878 1000079608 /nfs/dbraw/zinc/07/96/08/1000079608.db2.gz DCCMXZAUPXDOPG-SFHVURJKSA-N 1 0 414.456 3.846 20 30 HHEDRO N#Cc1ccc(CN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C2CC2)cc1 ZINC000491502401 1000079739 /nfs/dbraw/zinc/07/97/39/1000079739.db2.gz NGXGNCQHOQFTGB-UHFFFAOYSA-N 1 0 403.526 3.567 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000492147720 1000111755 /nfs/dbraw/zinc/11/17/55/1000111755.db2.gz ISNXIGKMOVQERT-UHFFFAOYSA-N 1 0 407.514 3.802 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000493602424 1000180898 /nfs/dbraw/zinc/18/08/98/1000180898.db2.gz DQFUBEIKCLMKCL-NRFANRHFSA-N 1 0 411.571 3.885 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@@H+](C2CCC2)C1 ZINC000493924282 1000216719 /nfs/dbraw/zinc/21/67/19/1000216719.db2.gz HKPRAIHWWKTWNS-MRXNPFEDSA-N 1 0 409.559 3.944 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(C#N)c(C)c1C ZINC000494000601 1000262115 /nfs/dbraw/zinc/26/21/15/1000262115.db2.gz SQAVIXZKTXIJNH-RXVVDRJESA-N 1 0 408.571 3.750 20 30 HHEDRO Cc1cc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000504548044 1000263595 /nfs/dbraw/zinc/26/35/95/1000263595.db2.gz PLJMWXLTYPJJAN-PMACEKPBSA-N 1 0 413.525 3.787 20 30 HHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccccc2)c1 ZINC000494039936 1000280030 /nfs/dbraw/zinc/28/00/30/1000280030.db2.gz QZFMIHVJVWKKRY-QHCPKHFHSA-N 1 0 406.507 3.720 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000494068054 1000292292 /nfs/dbraw/zinc/29/22/92/1000292292.db2.gz DPIFODKYHLHVAB-NSISKUIASA-N 1 0 416.591 3.970 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000494195703 1000356139 /nfs/dbraw/zinc/35/61/39/1000356139.db2.gz QVJFPPUEWWNCID-WMZHIEFXSA-N 1 0 421.541 3.607 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000494195701 1000356353 /nfs/dbraw/zinc/35/63/53/1000356353.db2.gz QVJFPPUEWWNCID-AUSIDOKSSA-N 1 0 421.541 3.607 20 30 HHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000494252258 1000390510 /nfs/dbraw/zinc/39/05/10/1000390510.db2.gz WPQPKKJFDKWSFD-LPHOPBHVSA-N 1 0 405.832 3.875 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(C2CC2)ncc1Br)C(C)C ZINC000494294125 1000416764 /nfs/dbraw/zinc/41/67/64/1000416764.db2.gz WQVHSIIGNXIAOA-INIZCTEOSA-N 1 0 407.356 3.545 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC1 ZINC000494341048 1000441768 /nfs/dbraw/zinc/44/17/68/1000441768.db2.gz WMYOMAQDHFUQHJ-UHFFFAOYSA-N 1 0 409.321 3.736 20 30 HHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000494467708 1000508323 /nfs/dbraw/zinc/50/83/23/1000508323.db2.gz RPEACKRPOSCDOU-UHFFFAOYSA-N 1 0 403.935 3.891 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000494480258 1000515782 /nfs/dbraw/zinc/51/57/82/1000515782.db2.gz SIANXOWOSPVEJF-CQSZACIVSA-N 1 0 416.447 3.608 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)c(F)c1 ZINC000505236036 1000637314 /nfs/dbraw/zinc/63/73/14/1000637314.db2.gz SXCLWNBHUZEWTG-HSZRJFAPSA-N 1 0 420.532 3.867 20 30 HHEDRO CCC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)C ZINC000494838860 1000688145 /nfs/dbraw/zinc/68/81/45/1000688145.db2.gz UWLWEDKASQSNOK-SFHVURJKSA-N 1 0 400.567 3.724 20 30 HHEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C ZINC000505319806 1000699127 /nfs/dbraw/zinc/69/91/27/1000699127.db2.gz ZWOMGWZRHFMXLL-UHFFFAOYSA-N 1 0 422.529 3.866 20 30 HHEDRO CC(C)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[NH+]1CCC(C)CC1 ZINC000505341500 1000713063 /nfs/dbraw/zinc/71/30/63/1000713063.db2.gz BMQIJUBVWDAWNM-HSZRJFAPSA-N 1 0 414.569 3.786 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)CC12CCCCC2 ZINC000494891762 1000715119 /nfs/dbraw/zinc/71/51/19/1000715119.db2.gz KDKUOIXSGQMPGE-SFHVURJKSA-N 1 0 400.592 3.970 20 30 HHEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)C1 ZINC000505523281 1000866848 /nfs/dbraw/zinc/86/68/48/1000866848.db2.gz ZSIRKTXESLOSRV-HSZRJFAPSA-N 1 0 414.981 3.762 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000505540311 1000888020 /nfs/dbraw/zinc/88/80/20/1000888020.db2.gz NGSCNOLBCRNQEA-JOCHJYFZSA-N 1 0 400.542 3.540 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000505782739 1001021273 /nfs/dbraw/zinc/02/12/73/1001021273.db2.gz OIPXSLZDSCVPIS-XMMPIXPASA-N 1 0 413.562 3.796 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000505818059 1001042144 /nfs/dbraw/zinc/04/21/44/1001042144.db2.gz HBCQXXDCPQSNLF-YMPRQMOJSA-N 1 0 420.582 3.635 20 30 HHEDRO N#Cc1ccc(CCC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000505820989 1001044248 /nfs/dbraw/zinc/04/42/48/1001044248.db2.gz YMBOFMIRGVDJLH-UHFFFAOYSA-N 1 0 404.514 3.944 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1OCCCC#N ZINC000506128609 1001237572 /nfs/dbraw/zinc/23/75/72/1001237572.db2.gz IOGZPXRHLNIAGJ-UHFFFAOYSA-N 1 0 423.513 3.934 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000506175681 1001261001 /nfs/dbraw/zinc/26/10/01/1001261001.db2.gz UTINDDOOVSQHOY-DEOSSOPVSA-N 1 0 413.562 3.940 20 30 HHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000506175688 1001261099 /nfs/dbraw/zinc/26/10/99/1001261099.db2.gz UTINDDOOVSQHOY-XMMPIXPASA-N 1 0 413.562 3.940 20 30 HHEDRO CCOc1c(OC)cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506273448 1001322070 /nfs/dbraw/zinc/32/20/70/1001322070.db2.gz QXANGUPCFWWUID-UHFFFAOYSA-N 1 0 409.530 3.682 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000497393562 1001332307 /nfs/dbraw/zinc/33/23/07/1001332307.db2.gz YEJQNMIAAOCRJJ-ZWKOTPCHSA-N 1 0 405.608 3.526 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](c2ccccc2)C1 ZINC000497400454 1001338931 /nfs/dbraw/zinc/33/89/31/1001338931.db2.gz HSTWYGNWXKELOS-YADHBBJMSA-N 1 0 401.466 3.558 20 30 HHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000497400451 1001339044 /nfs/dbraw/zinc/33/90/44/1001339044.db2.gz HSTWYGNWXKELOS-FCHUYYIVSA-N 1 0 401.466 3.558 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000497402450 1001340345 /nfs/dbraw/zinc/34/03/45/1001340345.db2.gz CQJPTXFSIVQSHG-RPWUZVMVSA-N 1 0 411.505 3.965 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)ccc1F ZINC000497422033 1001355012 /nfs/dbraw/zinc/35/50/12/1001355012.db2.gz JMNBNJORFUSHAH-UHFFFAOYSA-N 1 0 401.507 3.552 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)[NH+]2CCCC2)o1 ZINC000506347691 1001368812 /nfs/dbraw/zinc/36/88/12/1001368812.db2.gz PLENFUWZHBDYDZ-IBGZPJMESA-N 1 0 412.559 3.825 20 30 HHEDRO CCC(CC)(CNC(=O)N1CCC(C#N)(COC)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000497467034 1001381409 /nfs/dbraw/zinc/38/14/09/1001381409.db2.gz PSIQILTXEJDQNO-LJQANCHMSA-N 1 0 400.567 3.858 20 30 HHEDRO CC(C)c1nc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000506597825 1001467196 /nfs/dbraw/zinc/46/71/96/1001467196.db2.gz BHANVQXDSJXNNH-UHFFFAOYSA-N 1 0 401.898 3.926 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000506682805 1001492833 /nfs/dbraw/zinc/49/28/33/1001492833.db2.gz YIYOANKLEKQHSU-UHFFFAOYSA-N 1 0 407.518 3.780 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c(-c2ccccc2)n1 ZINC000506728137 1001507118 /nfs/dbraw/zinc/50/71/18/1001507118.db2.gz WNSXDMPIDMXCIS-UHFFFAOYSA-N 1 0 411.513 3.886 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000497918006 1001564949 /nfs/dbraw/zinc/56/49/49/1001564949.db2.gz MNSZLKGPJVRIFH-UHFFFAOYSA-N 1 0 407.514 3.638 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3ccc(F)cc3F)CC2)cc1 ZINC000497933060 1001569711 /nfs/dbraw/zinc/56/97/11/1001569711.db2.gz FBTDJZQRNUHFLQ-UHFFFAOYSA-N 1 0 413.468 3.730 20 30 HHEDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000506924789 1001596601 /nfs/dbraw/zinc/59/66/01/1001596601.db2.gz ALGBYCJAUDBWGR-XUEUYAKLSA-N 1 0 424.932 3.537 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCc2c(ncn2-c2ccccc2)C1)C(C)C ZINC000498142684 1001661371 /nfs/dbraw/zinc/66/13/71/1001661371.db2.gz TZHFOGOEUGTENO-HSZRJFAPSA-N 1 0 407.562 3.639 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2cccc3ncccc32)c1C)C(C)C ZINC000498351674 1001790148 /nfs/dbraw/zinc/79/01/48/1001790148.db2.gz COCBYSHOIMGYSI-QFIPXVFZSA-N 1 0 418.545 3.552 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(C)C ZINC000498361795 1001795778 /nfs/dbraw/zinc/79/57/78/1001795778.db2.gz WWMUTRKVTPFHKL-NRFANRHFSA-N 1 0 410.562 3.859 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000507085509 1001798370 /nfs/dbraw/zinc/79/83/70/1001798370.db2.gz LXDPOHKTBUIYCC-JOCHJYFZSA-N 1 0 403.526 3.875 20 30 HHEDRO C/C=C\c1ccc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000498389795 1001818312 /nfs/dbraw/zinc/81/83/12/1001818312.db2.gz IWQFRXCVNNLPOQ-WAYWQWQTSA-N 1 0 407.514 3.569 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507127082 1001824551 /nfs/dbraw/zinc/82/45/51/1001824551.db2.gz NJBIYUBPXJELQL-UHFFFAOYSA-N 1 0 421.589 3.513 20 30 HHEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cc(I)c1OC ZINC000507251293 1001934844 /nfs/dbraw/zinc/93/48/44/1001934844.db2.gz GXGXQJJIMGHDBI-UHFFFAOYSA-N 1 0 422.266 3.812 20 30 HHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000507379235 1002035071 /nfs/dbraw/zinc/03/50/71/1002035071.db2.gz HODHEJNRKUENIY-LJQANCHMSA-N 1 0 403.573 3.512 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000498900854 1002292613 /nfs/dbraw/zinc/29/26/13/1002292613.db2.gz PLIQJGDFWUPVGD-JOCHJYFZSA-N 1 0 421.541 3.897 20 30 HHEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC000507871671 1002405114 /nfs/dbraw/zinc/40/51/14/1002405114.db2.gz CWVDWTSQSBJMLA-LJQANCHMSA-N 1 0 419.529 3.729 20 30 HHEDRO COCC1(C#N)CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000499194384 1002584322 /nfs/dbraw/zinc/58/43/22/1002584322.db2.gz VHQRAAYCOOLYMH-CTNGQTDRSA-N 1 0 400.567 3.714 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000508204529 1002738028 /nfs/dbraw/zinc/73/80/28/1002738028.db2.gz KWEONTKALYUPGT-UHFFFAOYSA-N 1 0 418.541 3.559 20 30 HHEDRO CC(C)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000508206213 1002738856 /nfs/dbraw/zinc/73/88/56/1002738856.db2.gz HIXGSMYKMPRYHE-HSZRJFAPSA-N 1 0 412.578 3.868 20 30 HHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 ZINC000508269050 1002785637 /nfs/dbraw/zinc/78/56/37/1002785637.db2.gz AMANHNVRWLMKKY-HXUWFJFHSA-N 1 0 411.550 3.946 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000499417910 1002801633 /nfs/dbraw/zinc/80/16/33/1002801633.db2.gz DRIZMNCDVRYRKU-UHFFFAOYSA-N 1 0 420.557 3.901 20 30 HHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000499445760 1002833048 /nfs/dbraw/zinc/83/30/48/1002833048.db2.gz ZOKFLNRSCQABNA-UHFFFAOYSA-N 1 0 406.530 3.877 20 30 HHEDRO Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508458427 1002943611 /nfs/dbraw/zinc/94/36/11/1002943611.db2.gz VKJSJVQVGRIXQA-XZOQPEGZSA-N 1 0 412.541 3.845 20 30 HHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508476020 1002960670 /nfs/dbraw/zinc/96/06/70/1002960670.db2.gz AHBRVJTYDHAEJK-IRLDBZIGSA-N 1 0 402.546 3.950 20 30 HHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000508476742 1002960787 /nfs/dbraw/zinc/96/07/87/1002960787.db2.gz GOQIGRHUDMGPQY-UHFFFAOYSA-N 1 0 407.518 3.542 20 30 HHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H]1C ZINC000499585396 1002961707 /nfs/dbraw/zinc/96/17/07/1002961707.db2.gz HILIAMMQROQMOT-SJORKVTESA-N 1 0 405.502 3.757 20 30 HHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508478846 1002962878 /nfs/dbraw/zinc/96/28/78/1002962878.db2.gz UISVTHNMEDBBJO-NRFANRHFSA-N 1 0 402.546 3.793 20 30 HHEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508481442 1002965934 /nfs/dbraw/zinc/96/59/34/1002965934.db2.gz QTZWGXPRAOTOND-UHFFFAOYSA-N 1 0 402.546 3.875 20 30 HHEDRO C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508491679 1002974517 /nfs/dbraw/zinc/97/45/17/1002974517.db2.gz ULNOYMBXPLKRMX-UHFFFAOYSA-N 1 0 420.330 3.565 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508495874 1002978144 /nfs/dbraw/zinc/97/81/44/1002978144.db2.gz BBJCXJHFGYGPHO-SFHVURJKSA-N 1 0 401.942 3.761 20 30 HHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508496806 1002980092 /nfs/dbraw/zinc/98/00/92/1002980092.db2.gz GPFIYYOXSAUDGI-HDICACEKSA-N 1 0 413.541 3.596 20 30 HHEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC000508503692 1002985146 /nfs/dbraw/zinc/98/51/46/1002985146.db2.gz HLHDCQQDKWVMGP-OAQYLSRUSA-N 1 0 422.621 3.701 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCc1c[nH]c2ccc(F)cc12 ZINC000508628972 1003080063 /nfs/dbraw/zinc/08/00/63/1003080063.db2.gz MJKDBUHOAZQVDO-UHFFFAOYSA-N 1 0 421.520 3.885 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000508658534 1003100696 /nfs/dbraw/zinc/10/06/96/1003100696.db2.gz RLWJHTKWHYPNIA-FCMAGTKHSA-N 1 0 416.610 3.513 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccco1 ZINC000508688339 1003125908 /nfs/dbraw/zinc/12/59/08/1003125908.db2.gz IAWLWBFNQQIVMK-NRFANRHFSA-N 1 0 412.509 3.706 20 30 HHEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508716942 1003156499 /nfs/dbraw/zinc/15/64/99/1003156499.db2.gz RPDXYEAGDROLHT-AZUAARDMSA-N 1 0 423.561 3.505 20 30 HHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508731448 1003171376 /nfs/dbraw/zinc/17/13/76/1003171376.db2.gz WPCIKYARIPHNQZ-UHFFFAOYSA-N 1 0 416.573 3.962 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508735124 1003173559 /nfs/dbraw/zinc/17/35/59/1003173559.db2.gz UOQWKMXGLDYGBM-GOSISDBHSA-N 1 0 411.550 3.677 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000508737760 1003176362 /nfs/dbraw/zinc/17/63/62/1003176362.db2.gz BPDAETVGAHUJNU-KRWDZBQOSA-N 1 0 402.340 3.568 20 30 HHEDRO C=CCn1c(COc2ccccc2OCC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508739631 1003177184 /nfs/dbraw/zinc/17/71/84/1003177184.db2.gz LQQCERNJZPONQD-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508792321 1003220555 /nfs/dbraw/zinc/22/05/55/1003220555.db2.gz DLACFTNMOZRLDM-VXKWHMMOSA-N 1 0 416.573 3.961 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508807982 1003234178 /nfs/dbraw/zinc/23/41/78/1003234178.db2.gz FUMHRRRFHKYYKB-IFMALSPDSA-N 1 0 407.562 3.634 20 30 HHEDRO C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508813107 1003238375 /nfs/dbraw/zinc/23/83/75/1003238375.db2.gz NELPUCVJFCSZKY-FQEVSTJZSA-N 1 0 417.561 3.629 20 30 HHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508815234 1003240380 /nfs/dbraw/zinc/24/03/80/1003240380.db2.gz YPPVHTPYHFJYFJ-IRXDYDNUSA-N 1 0 415.607 3.827 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508817502 1003241998 /nfs/dbraw/zinc/24/19/98/1003241998.db2.gz OCSFSEHNNKOKDD-UHFFFAOYSA-N 1 0 422.577 3.645 20 30 HHEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508841771 1003262418 /nfs/dbraw/zinc/26/24/18/1003262418.db2.gz ULGCIIMIKXHKGE-OAQYLSRUSA-N 1 0 409.578 3.972 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000508855613 1003275511 /nfs/dbraw/zinc/27/55/11/1003275511.db2.gz IHNNHQAHLRUMNA-HXUWFJFHSA-N 1 0 408.594 3.931 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508887771 1003314105 /nfs/dbraw/zinc/31/41/05/1003314105.db2.gz KICCPRZEWOJZDK-HXUWFJFHSA-N 1 0 404.562 3.779 20 30 HHEDRO C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508900130 1003333840 /nfs/dbraw/zinc/33/38/40/1003333840.db2.gz AHNZGXKNPYJBJY-JPYJTQIMSA-N 1 0 406.530 3.802 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508906672 1003344795 /nfs/dbraw/zinc/34/47/95/1003344795.db2.gz HTBPKLQMKNOSBW-IBGZPJMESA-N 1 0 413.566 3.781 20 30 HHEDRO C=CCN1CC[C@@H]([N@H+](C)CCCC(=O)Nc2c(C)cc(Br)cc2C)C1=O ZINC000500022370 1003349164 /nfs/dbraw/zinc/34/91/64/1003349164.db2.gz ATLQBAWWNAECBZ-QGZVFWFLSA-N 1 0 422.367 3.503 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508919107 1003358631 /nfs/dbraw/zinc/35/86/31/1003358631.db2.gz PKIVNEFOAZVRTN-UHFFFAOYSA-N 1 0 417.557 3.812 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508921777 1003360930 /nfs/dbraw/zinc/36/09/30/1003360930.db2.gz MZFOTWUYJAMYQP-UHFFFAOYSA-N 1 0 404.562 3.779 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508948247 1003403291 /nfs/dbraw/zinc/40/32/91/1003403291.db2.gz ZNEDGUATEKURQI-UHFFFAOYSA-N 1 0 415.969 3.866 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000508965908 1003433735 /nfs/dbraw/zinc/43/37/35/1003433735.db2.gz OMAIWBKYIIEYDP-UHFFFAOYSA-N 1 0 400.482 3.530 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC)c(Oc3ccc(C)nn3)c2)CC1 ZINC000500077976 1003433818 /nfs/dbraw/zinc/43/38/18/1003433818.db2.gz BJTKFOAIBPDBAR-UHFFFAOYSA-N 1 0 411.506 3.748 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000508983628 1003454868 /nfs/dbraw/zinc/45/48/68/1003454868.db2.gz LGXTYDMNMWVGFY-UHFFFAOYSA-N 1 0 416.312 3.717 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000509081833 1003539342 /nfs/dbraw/zinc/53/93/42/1003539342.db2.gz UVQSWSZOXIGKFM-BWKNWUBXSA-N 1 0 406.526 3.857 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000509150466 1003587423 /nfs/dbraw/zinc/58/74/23/1003587423.db2.gz HJMFALIJYYLQDE-SFHVURJKSA-N 1 0 414.456 3.860 20 30 HHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000509553520 1003941386 /nfs/dbraw/zinc/94/13/86/1003941386.db2.gz HQJSQUPEJNHPSF-QUCCMNQESA-N 1 0 409.534 3.502 20 30 HHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000509567327 1003949905 /nfs/dbraw/zinc/94/99/05/1003949905.db2.gz IZFZZZNQXPLMGS-UWJYYQICSA-N 1 0 410.518 3.833 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)cc2)C1 ZINC000500823780 1003982474 /nfs/dbraw/zinc/98/24/74/1003982474.db2.gz VYBLBSFADQTXPK-QGZVFWFLSA-N 1 0 415.534 3.549 20 30 HHEDRO C=C(C)C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)Cc1ccc(CO)o1 ZINC000512177197 1004079340 /nfs/dbraw/zinc/07/93/40/1004079340.db2.gz GGYBGNALGGIWRU-UHFFFAOYSA-N 1 0 412.559 3.858 20 30 HHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000512194766 1004095635 /nfs/dbraw/zinc/09/56/35/1004095635.db2.gz JQGBMTVQLJOMRY-IXDOHACOSA-N 1 0 400.592 3.632 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000501003339 1004108521 /nfs/dbraw/zinc/10/85/21/1004108521.db2.gz MSSRXDKUBQOYGV-UHFFFAOYSA-N 1 0 410.566 3.863 20 30 HHEDRO N#Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000512211808 1004112626 /nfs/dbraw/zinc/11/26/26/1004112626.db2.gz IVHCSBMKUVQSGP-IBGZPJMESA-N 1 0 402.420 3.651 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000512224365 1004124543 /nfs/dbraw/zinc/12/45/43/1004124543.db2.gz BEYKVMHLTALUJT-BRWVUGGUSA-N 1 0 400.592 3.774 20 30 HHEDRO C=C(C)C[N@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(CO)o1 ZINC000512224840 1004125474 /nfs/dbraw/zinc/12/54/74/1004125474.db2.gz DASYNOUQYKUVAC-UHFFFAOYSA-N 1 0 422.529 3.981 20 30 HHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc1OC ZINC000512360372 1004246601 /nfs/dbraw/zinc/24/66/01/1004246601.db2.gz XHGMJSDLAOGAIO-UHFFFAOYSA-N 1 0 414.571 3.892 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512399835 1004271443 /nfs/dbraw/zinc/27/14/43/1004271443.db2.gz BDZALPUIPBYKSM-UKRRQHHQSA-N 1 0 415.481 3.508 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512446830 1004308612 /nfs/dbraw/zinc/30/86/12/1004308612.db2.gz HSWQNICFQMYXEH-ZIAGYGMSSA-N 1 0 415.481 3.508 20 30 HHEDRO C=C(C)C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1cnn(C(C)C)c1 ZINC000512547835 1004376711 /nfs/dbraw/zinc/37/67/11/1004376711.db2.gz STMMSOIYCMECQQ-UHFFFAOYSA-N 1 0 417.941 3.623 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000512630781 1004443663 /nfs/dbraw/zinc/44/36/63/1004443663.db2.gz NYSDBNAHAMIZOL-CQSZACIVSA-N 1 0 409.552 3.683 20 30 HHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000512657444 1004467786 /nfs/dbraw/zinc/46/77/86/1004467786.db2.gz CSYGQCICFCSMQV-JOCHJYFZSA-N 1 0 406.574 3.681 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000510327522 1004484355 /nfs/dbraw/zinc/48/43/55/1004484355.db2.gz PREMOAYJDGQZFA-KMFTYDHNSA-N 1 0 413.566 3.597 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000512800712 1004565884 /nfs/dbraw/zinc/56/58/84/1004565884.db2.gz GTXNSZMKUPCAEE-KRWDZBQOSA-N 1 0 404.869 3.634 20 30 HHEDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512844143 1004604636 /nfs/dbraw/zinc/60/46/36/1004604636.db2.gz LKKDFOYTRGPGNA-QGZVFWFLSA-N 1 0 418.896 3.942 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCN(C(=O)N4CCCC4)C3)c2)c1 ZINC000512893137 1004659830 /nfs/dbraw/zinc/65/98/30/1004659830.db2.gz ADZJRGABVHLIFZ-QHCPKHFHSA-N 1 0 418.541 3.907 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000510548327 1004683278 /nfs/dbraw/zinc/68/32/78/1004683278.db2.gz ANZYGZKJIIPIFM-OAQYLSRUSA-N 1 0 408.502 3.829 20 30 HHEDRO CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000501851678 1004776144 /nfs/dbraw/zinc/77/61/44/1004776144.db2.gz SGQTXSLEBGPYBQ-QFIPXVFZSA-N 1 0 422.598 3.663 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+](CCO)[C@@H]1CCCc3ccccc31)CCC2 ZINC000510670079 1004790595 /nfs/dbraw/zinc/79/05/95/1004790595.db2.gz UBMDEJFFTRCAHP-HXUWFJFHSA-N 1 0 409.555 3.809 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000510688602 1004799699 /nfs/dbraw/zinc/79/96/99/1004799699.db2.gz ZWNQPESNAAASBN-UHFFFAOYSA-N 1 0 406.408 3.894 20 30 HHEDRO C=CCOc1cccc(NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000510740857 1004826407 /nfs/dbraw/zinc/82/64/07/1004826407.db2.gz XTXXUCYTPVRZNC-UHFFFAOYSA-N 1 0 408.546 3.581 20 30 HHEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502162789 1004931796 /nfs/dbraw/zinc/93/17/96/1004931796.db2.gz AJHJIPYETUNEKZ-OALUTQOASA-N 1 0 418.541 3.783 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2)cc1 ZINC000502217351 1004963124 /nfs/dbraw/zinc/96/31/24/1004963124.db2.gz VSWOZNXDAYQOEI-FQEVSTJZSA-N 1 0 420.513 3.927 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[NH+]2CCCC2)o1 ZINC000510982855 1004965532 /nfs/dbraw/zinc/96/55/32/1004965532.db2.gz LUJWYGNDUIKXJT-JOCHJYFZSA-N 1 0 422.529 3.850 20 30 HHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502359556 1005034105 /nfs/dbraw/zinc/03/41/05/1005034105.db2.gz IGQQECYLEYWAMV-IBGZPJMESA-N 1 0 415.497 3.922 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC=C(c4ccnn4C)CC3)sc2C1 ZINC000511145560 1005044116 /nfs/dbraw/zinc/04/41/16/1005044116.db2.gz WGVFIVPOMYGTSJ-HNNXBMFYSA-N 1 0 409.559 3.596 20 30 HHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC000502386713 1005050880 /nfs/dbraw/zinc/05/08/80/1005050880.db2.gz QCPRGVJNPRFOLJ-HXUWFJFHSA-N 1 0 415.497 3.792 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc4c(cc3OC(F)F)OCO4)CC2)cc1 ZINC000513684011 1005081267 /nfs/dbraw/zinc/08/12/67/1005081267.db2.gz OCLADLRMRGXIAW-UHFFFAOYSA-N 1 0 401.413 3.647 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)C2)c1 ZINC000513707931 1005090833 /nfs/dbraw/zinc/09/08/33/1005090833.db2.gz KNGGFIATTWQDSX-FQEVSTJZSA-N 1 0 420.557 3.660 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000513724892 1005097388 /nfs/dbraw/zinc/09/73/88/1005097388.db2.gz KAZRGHMHFREUCR-SBUREZEXSA-N 1 0 413.541 3.534 20 30 HHEDRO COC(=O)COc1c(C)cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1C ZINC000513750918 1005109043 /nfs/dbraw/zinc/10/90/43/1005109043.db2.gz RJLROMDHFHQVTE-UHFFFAOYSA-N 1 0 408.498 3.770 20 30 HHEDRO C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(C#N)cc1 ZINC000502618012 1005143660 /nfs/dbraw/zinc/14/36/60/1005143660.db2.gz QSZUEYZMZQDJQC-OALUTQOASA-N 1 0 406.530 3.818 20 30 HHEDRO Cc1ccc2c(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc(O)c2n1 ZINC000514110925 1005270426 /nfs/dbraw/zinc/27/04/26/1005270426.db2.gz KLLPRPZXCATUBQ-UHFFFAOYSA-N 1 0 400.482 3.971 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511766480 1005314921 /nfs/dbraw/zinc/31/49/21/1005314921.db2.gz BZPXBECIEIXLTH-UWJYYQICSA-N 1 0 417.887 3.962 20 30 HHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511773702 1005319276 /nfs/dbraw/zinc/31/92/76/1005319276.db2.gz CUTACUQPPFCOMX-SFHLNBCPSA-N 1 0 407.539 3.745 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)nn1-c1cccc(C#N)c1 ZINC000503050877 1005328036 /nfs/dbraw/zinc/32/80/36/1005328036.db2.gz FSZOFPKPKWJLPH-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1 ZINC000514249706 1005333564 /nfs/dbraw/zinc/33/35/64/1005333564.db2.gz JMOVCYGZYGBZCO-UHFFFAOYSA-N 1 0 406.530 3.633 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C)[C@H](n4ccnc4)C3)sc2C1 ZINC000503077066 1005340201 /nfs/dbraw/zinc/34/02/01/1005340201.db2.gz XDKYXGYSEWJDIY-GPMSIDNRSA-N 1 0 411.575 3.853 20 30 HHEDRO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503268700 1005381001 /nfs/dbraw/zinc/38/10/01/1005381001.db2.gz ZFUQIVZBOKLLSC-MRXNPFEDSA-N 1 0 424.570 3.588 20 30 HHEDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000503354996 1005396589 /nfs/dbraw/zinc/39/65/89/1005396589.db2.gz HEYGRODZPTZSGP-FDDCHVKYSA-N 1 0 413.525 3.693 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000503490255 1005435648 /nfs/dbraw/zinc/43/56/48/1005435648.db2.gz DDNSUCLYIIESSH-WIYYLYMNSA-N 1 0 407.514 3.544 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503765295 1005490771 /nfs/dbraw/zinc/49/07/71/1005490771.db2.gz NWMMNUXAUFEFRE-DEOSSOPVSA-N 1 0 402.542 3.820 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503766124 1005490901 /nfs/dbraw/zinc/49/09/01/1005490901.db2.gz QXAFJZWSUSIEJN-HOTGVXAUSA-N 1 0 417.962 3.647 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503878257 1005504033 /nfs/dbraw/zinc/50/40/33/1005504033.db2.gz XTJYILUIGAODLU-UHFFFAOYSA-N 1 0 418.950 3.534 20 30 HHEDRO COc1cccc([C@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[NH+](C)C)c1 ZINC000504062267 1005543633 /nfs/dbraw/zinc/54/36/33/1005543633.db2.gz KYGLELMQWUMGBX-QHCPKHFHSA-N 1 0 404.514 3.668 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3)c2)CC1 ZINC000504392988 1005616431 /nfs/dbraw/zinc/61/64/31/1005616431.db2.gz AWRHPUBUZDRNPJ-OAQYLSRUSA-N 1 0 419.573 3.964 20 30 HHEDRO COc1cc(CCC2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc(OC)c1 ZINC000514523343 1006019560 /nfs/dbraw/zinc/01/95/60/1006019560.db2.gz ODFKERMMEJMQGF-UUOWRZLLSA-N 1 0 415.578 3.791 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534087508 1006061025 /nfs/dbraw/zinc/06/10/25/1006061025.db2.gz OGKOQDNLXAQNNE-MISYRCLQSA-N 1 0 424.570 3.695 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000531256961 1006074946 /nfs/dbraw/zinc/07/49/46/1006074946.db2.gz ZVQMVHYKWCAUJI-UHFFFAOYSA-N 1 0 422.555 3.669 20 30 HHEDRO N#Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000514696917 1006085559 /nfs/dbraw/zinc/08/55/59/1006085559.db2.gz LOLVGRGQMVYYEN-TZIWHRDSSA-N 1 0 403.448 3.550 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1C#N ZINC000534379075 1006347545 /nfs/dbraw/zinc/34/75/45/1006347545.db2.gz NYCHJWDRKXVUOX-QFIPXVFZSA-N 1 0 420.557 3.712 20 30 HHEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000531715616 1006375198 /nfs/dbraw/zinc/37/51/98/1006375198.db2.gz SKLNHESNOBVBTH-LPHOPBHVSA-N 1 0 410.493 3.682 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000515294108 1006382272 /nfs/dbraw/zinc/38/22/72/1006382272.db2.gz ZGUBPLXZQXRRHU-QFIPXVFZSA-N 1 0 408.571 3.928 20 30 HHEDRO CC[C@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000515559597 1006535773 /nfs/dbraw/zinc/53/57/73/1006535773.db2.gz NNHQDXMGPOQCHC-HSZRJFAPSA-N 1 0 418.541 3.646 20 30 HHEDRO C=C[C@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000534660789 1006638288 /nfs/dbraw/zinc/63/82/88/1006638288.db2.gz KRTJFZBTKAQGDL-OAQYLSRUSA-N 1 0 411.590 3.577 20 30 HHEDRO CCC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538388854 1006658420 /nfs/dbraw/zinc/65/84/20/1006658420.db2.gz HYIMZUQWPVDNHW-GOTSBHOMSA-N 1 0 408.521 3.666 20 30 HHEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000538390561 1006660776 /nfs/dbraw/zinc/66/07/76/1006660776.db2.gz SDQSSHKYAPIWPT-CRMKJKLXSA-N 1 0 411.546 3.818 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)C ZINC000538392627 1006662324 /nfs/dbraw/zinc/66/23/24/1006662324.db2.gz ZLHPXFJLMMSGBQ-JXFKEZNVSA-N 1 0 400.567 3.770 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c(-c2ccccc2)n1 ZINC000532321745 1006792726 /nfs/dbraw/zinc/79/27/26/1006792726.db2.gz NJZKRYLGFFOEKZ-IBGZPJMESA-N 1 0 406.921 3.881 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](Cc2c(C)cc(C)cc2C)C(F)(F)F)c1C#N ZINC000534797538 1006801826 /nfs/dbraw/zinc/80/18/26/1006801826.db2.gz JJMVWAMCURKFDV-KRWDZBQOSA-N 1 0 421.467 3.718 20 30 HHEDRO COC(=O)CCC1CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000532351668 1006812771 /nfs/dbraw/zinc/81/27/71/1006812771.db2.gz ARCCSYLPMIBTGV-UHFFFAOYSA-N 1 0 405.926 3.560 20 30 HHEDRO Cc1cc(NC(=O)NCc2ccccc2CN(C)Cc2ccco2)nn1CCC#N ZINC000538620479 1006890471 /nfs/dbraw/zinc/89/04/71/1006890471.db2.gz JUBCLRLLEUCWNL-UHFFFAOYSA-N 1 0 406.490 3.652 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1C#N ZINC000516151203 1006919669 /nfs/dbraw/zinc/91/96/69/1006919669.db2.gz WUIKGJPBMJNNBC-MRXNPFEDSA-N 1 0 403.486 3.506 20 30 HHEDRO COc1cccc(CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]2CCCO2)c1 ZINC000532483727 1006923470 /nfs/dbraw/zinc/92/34/70/1006923470.db2.gz SGQRCQJXZRBKRA-FQEVSTJZSA-N 1 0 413.905 3.840 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCOc4c(Cl)cccc43)CC2)cc1 ZINC000516243908 1006971482 /nfs/dbraw/zinc/97/14/82/1006971482.db2.gz FWJLSQHDROTZAY-NRFANRHFSA-N 1 0 424.932 3.953 20 30 HHEDRO N#CCCN(C(=O)CN1CC[NH+](CCc2cccs2)CC1)c1cccc(Cl)c1 ZINC000516289603 1007000632 /nfs/dbraw/zinc/00/06/32/1007000632.db2.gz NOAPEFPXFBQTJH-UHFFFAOYSA-N 1 0 416.978 3.508 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000538789215 1007071405 /nfs/dbraw/zinc/07/14/05/1007071405.db2.gz QCZNVWUCTQNHSS-UHFFFAOYSA-N 1 0 415.541 3.766 20 30 HHEDRO CC[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000516552348 1007150762 /nfs/dbraw/zinc/15/07/62/1007150762.db2.gz FEFWRPTXLSPYTQ-DEOSSOPVSA-N 1 0 404.558 3.503 20 30 HHEDRO C=CCCO[C@H](C)C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000538924342 1007208919 /nfs/dbraw/zinc/20/89/19/1007208919.db2.gz HCJLGDKYKPBMQI-OAQYLSRUSA-N 1 0 407.558 3.971 20 30 HHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000535208396 1007257285 /nfs/dbraw/zinc/25/72/85/1007257285.db2.gz YJTAOVSKBMESLA-SFHVURJKSA-N 1 0 407.905 3.973 20 30 HHEDRO N#CCSc1ccccc1NC(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000532950415 1007320197 /nfs/dbraw/zinc/32/01/97/1007320197.db2.gz GEVAMXQQHSYKHZ-LJQANCHMSA-N 1 0 400.592 3.829 20 30 HHEDRO C=C[C@@H](CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000535356380 1007413154 /nfs/dbraw/zinc/41/31/54/1007413154.db2.gz VKVKROYDPCBXIE-PKTZIBPZSA-N 1 0 418.585 3.802 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000533053862 1007418426 /nfs/dbraw/zinc/41/84/26/1007418426.db2.gz KZXPEPXTPKPRBX-UEXGIBASSA-N 1 0 421.507 3.510 20 30 HHEDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCCC1 ZINC000533068096 1007431531 /nfs/dbraw/zinc/43/15/31/1007431531.db2.gz IBXNQGLPKYNNPW-MRXNPFEDSA-N 1 0 403.548 3.732 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)c1 ZINC000517132928 1007447814 /nfs/dbraw/zinc/44/78/14/1007447814.db2.gz CPRKEHKDKQJADX-OFVILXPXSA-N 1 0 406.526 3.857 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000539224576 1007517044 /nfs/dbraw/zinc/51/70/44/1007517044.db2.gz BHLAFRHFMIDTLM-LJQANCHMSA-N 1 0 406.530 3.996 20 30 HHEDRO Cc1ccc2nc(NC(=O)CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)sc2c1 ZINC000533220415 1007544701 /nfs/dbraw/zinc/54/47/01/1007544701.db2.gz XBEUVQZAERKFCH-UHFFFAOYSA-N 1 0 419.554 3.623 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000533229104 1007551598 /nfs/dbraw/zinc/55/15/98/1007551598.db2.gz RZPXJMXLXGPBTP-PGPPMQCXSA-N 1 0 410.562 3.656 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000533229378 1007551930 /nfs/dbraw/zinc/55/19/30/1007551930.db2.gz FKUNWOKJJVHREK-KRWDZBQOSA-N 1 0 408.571 3.643 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c1C#N ZINC000535506332 1007561350 /nfs/dbraw/zinc/56/13/50/1007561350.db2.gz FHFKEOQIZYMWIO-UHFFFAOYSA-N 1 0 414.469 3.544 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000539278225 1007573481 /nfs/dbraw/zinc/57/34/81/1007573481.db2.gz HZXLBHZPDGORGW-NRFANRHFSA-N 1 0 423.513 3.844 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 ZINC000535523903 1007574702 /nfs/dbraw/zinc/57/47/02/1007574702.db2.gz JPZONYRNNKDKOH-UHFFFAOYSA-N 1 0 417.469 3.829 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000535536755 1007581039 /nfs/dbraw/zinc/58/10/39/1007581039.db2.gz DLGQPBNSDGPOAQ-YZGWKJHDSA-N 1 0 424.570 3.838 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000533295633 1007611825 /nfs/dbraw/zinc/61/18/25/1007611825.db2.gz GLVKMVQQGDLLRQ-YADHBBJMSA-N 1 0 419.573 3.712 20 30 HHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3sc(C)c(C)c3C#N)ccc2NC1=O ZINC000539359636 1007661498 /nfs/dbraw/zinc/66/14/98/1007661498.db2.gz XEHRKQBVBFVAAA-SJCJKPOMSA-N 1 0 412.515 3.635 20 30 HHEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000533364802 1007672696 /nfs/dbraw/zinc/67/26/96/1007672696.db2.gz GUEQBVXOPZKEAR-HXUWFJFHSA-N 1 0 419.529 3.729 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533370673 1007680552 /nfs/dbraw/zinc/68/05/52/1007680552.db2.gz PLBZOFLBDNTKJV-SFHVURJKSA-N 1 0 419.460 3.956 20 30 HHEDRO CC[C@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533379989 1007693101 /nfs/dbraw/zinc/69/31/01/1007693101.db2.gz HNOLRUUOZLVVRV-AWEZNQCLSA-N 1 0 409.515 3.898 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535673226 1007694225 /nfs/dbraw/zinc/69/42/25/1007694225.db2.gz QCBWUUKTGBVHCH-IIBYNOLFSA-N 1 0 401.869 3.539 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cccc(F)c1 ZINC000539413049 1007720704 /nfs/dbraw/zinc/72/07/04/1007720704.db2.gz UEOHRTVBFNXRAJ-FQEVSTJZSA-N 1 0 414.550 3.507 20 30 HHEDRO Cn1cc(C[NH2+]CCSCc2ccccc2C#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539419098 1007725584 /nfs/dbraw/zinc/72/55/84/1007725584.db2.gz XMPXTAHRDNANBA-UHFFFAOYSA-N 1 0 407.499 3.890 20 30 HHEDRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000533436231 1007749214 /nfs/dbraw/zinc/74/92/14/1007749214.db2.gz GVTPRBGONIBNJG-MOPGFXCFSA-N 1 0 412.578 3.868 20 30 HHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000539491428 1007801787 /nfs/dbraw/zinc/80/17/87/1007801787.db2.gz PMEDYORBYXKHFU-FQEVSTJZSA-N 1 0 404.507 3.554 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCC3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000539496927 1007808381 /nfs/dbraw/zinc/80/83/81/1007808381.db2.gz OUVZYWZBMMQAON-UHFFFAOYSA-N 1 0 408.512 3.777 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccnc(OCC(F)(F)F)c3)CC2)cc1 ZINC000539498398 1007809741 /nfs/dbraw/zinc/80/97/41/1007809741.db2.gz OFEHUBSJFBBRCA-UHFFFAOYSA-N 1 0 404.436 3.649 20 30 HHEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CCCCC1 ZINC000533514696 1007833420 /nfs/dbraw/zinc/83/34/20/1007833420.db2.gz JKSVTBMYFYVTTM-UHFFFAOYSA-N 1 0 412.578 3.711 20 30 HHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1cccc(F)c1 ZINC000539581662 1007898254 /nfs/dbraw/zinc/89/82/54/1007898254.db2.gz YPVCSEWYWRIPDJ-UHFFFAOYSA-N 1 0 420.492 3.787 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000517907902 1008050640 /nfs/dbraw/zinc/05/06/40/1008050640.db2.gz KURLQOLLGNWSMV-NRFANRHFSA-N 1 0 402.494 3.995 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000517994652 1008091685 /nfs/dbraw/zinc/09/16/85/1008091685.db2.gz NLNBYCUVQFLKAI-UHFFFAOYSA-N 1 0 404.514 3.684 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1 ZINC000518004867 1008098100 /nfs/dbraw/zinc/09/81/00/1008098100.db2.gz CBANTLKRGMBLMA-UHFFFAOYSA-N 1 0 422.529 3.866 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000518159221 1008187978 /nfs/dbraw/zinc/18/79/78/1008187978.db2.gz KWCBRRGNGGISPN-ZWKOTPCHSA-N 1 0 416.591 3.505 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000518441767 1008307996 /nfs/dbraw/zinc/30/79/96/1008307996.db2.gz IOSZPLMJEXULHH-HXUWFJFHSA-N 1 0 422.976 3.783 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000518512826 1008333341 /nfs/dbraw/zinc/33/33/41/1008333341.db2.gz AOHXQWJXGWNFFE-JOCHJYFZSA-N 1 0 406.530 3.706 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000518522817 1008337155 /nfs/dbraw/zinc/33/71/55/1008337155.db2.gz RBRLWYFZFXNEFK-UHFFFAOYSA-N 1 0 409.530 3.724 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000518528791 1008339798 /nfs/dbraw/zinc/33/97/98/1008339798.db2.gz VIWAPGARJWCQFV-UHFFFAOYSA-N 1 0 406.530 3.697 20 30 HHEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000540289558 1008369415 /nfs/dbraw/zinc/36/94/15/1008369415.db2.gz 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3.888 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549253808 1008825320 /nfs/dbraw/zinc/82/53/20/1008825320.db2.gz FBQRMMTYXZKNOW-UHFFFAOYSA-N 1 0 410.522 3.884 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000549253464 1008825595 /nfs/dbraw/zinc/82/55/95/1008825595.db2.gz WGAPQTOJPLMLKM-UHFFFAOYSA-N 1 0 409.578 3.768 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000549262817 1008832489 /nfs/dbraw/zinc/83/24/89/1008832489.db2.gz QBNHDTOZDCWZPJ-NRFANRHFSA-N 1 0 403.615 3.943 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549276399 1008846574 /nfs/dbraw/zinc/84/65/74/1008846574.db2.gz ZPDJWTCEPSBRQL-UHFFFAOYSA-N 1 0 420.561 3.617 20 30 HHEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(Cc4ccc(C#N)cc4)n3)cc2Cl)CC1 ZINC000545775785 1008861521 /nfs/dbraw/zinc/86/15/21/1008861521.db2.gz VRMHUIAJBGGMOU-UHFFFAOYSA-N 1 0 407.905 3.994 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000549292440 1008864918 /nfs/dbraw/zinc/86/49/18/1008864918.db2.gz RPMBOIZXYXSTFS-YADHBBJMSA-N 1 0 409.578 3.849 20 30 HHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549325987 1008904346 /nfs/dbraw/zinc/90/43/46/1008904346.db2.gz CZRNLFTUDPPGIK-SIKLNZKXSA-N 1 0 407.562 3.843 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000543352758 1008940702 /nfs/dbraw/zinc/94/07/02/1008940702.db2.gz ZFHBOEPAEGNJBI-UHFFFAOYSA-N 1 0 408.502 3.501 20 30 HHEDRO N#CCCC[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000519727322 1008981723 /nfs/dbraw/zinc/98/17/23/1008981723.db2.gz ZTDXIFVKYYEZCU-QHCPKHFHSA-N 1 0 418.541 3.815 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2=O)cc1 ZINC000519774474 1009000421 /nfs/dbraw/zinc/00/04/21/1009000421.db2.gz NTWPJHCZYMOUFB-GHTZIAJQSA-N 1 0 424.342 3.569 20 30 HHEDRO CC(C)(C#N)c1ccc(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@H]3C(N)=O)no2)cc1 ZINC000519848340 1009030481 /nfs/dbraw/zinc/03/04/81/1009030481.db2.gz GEFCTCLOTMGOTO-FQEVSTJZSA-N 1 0 415.497 3.654 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000543459554 1009043247 /nfs/dbraw/zinc/04/32/47/1009043247.db2.gz DRPUXWSMTAAPHO-FZKQIMNGSA-N 1 0 419.451 3.780 20 30 HHEDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000549467397 1009059841 /nfs/dbraw/zinc/05/98/41/1009059841.db2.gz CMFFTRLRCQEFCG-ITEAAPOESA-N 1 0 412.484 3.977 20 30 HHEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549483878 1009084444 /nfs/dbraw/zinc/08/44/44/1009084444.db2.gz UZPJHLWCSFCPSE-UGKGYDQZSA-N 1 0 416.447 3.729 20 30 HHEDRO CC[C@H]1CN(CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000546102461 1009125656 /nfs/dbraw/zinc/12/56/56/1009125656.db2.gz ZPVVSPKAJQMOTG-FQEVSTJZSA-N 1 0 408.571 3.837 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000549601027 1009229928 /nfs/dbraw/zinc/22/99/28/1009229928.db2.gz CIPMKPNNTSBFTG-QHCPKHFHSA-N 1 0 423.605 3.945 20 30 HHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549603704 1009231339 /nfs/dbraw/zinc/23/13/39/1009231339.db2.gz OVIAQYIWXUZBJG-JOCHJYFZSA-N 1 0 409.578 3.883 20 30 HHEDRO Cc1c(Cl)cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1C#N ZINC000549617976 1009246311 /nfs/dbraw/zinc/24/63/11/1009246311.db2.gz XCRTXVKGZISUGG-IBGZPJMESA-N 1 0 410.949 4.256 20 30 HHEDRO N#Cc1cnc2ccccc2c1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549622714 1009251195 /nfs/dbraw/zinc/25/11/95/1009251195.db2.gz ZISWSMKGNFJBPE-QFIPXVFZSA-N 1 0 412.537 3.869 20 30 HHEDRO C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549655383 1009282563 /nfs/dbraw/zinc/28/25/63/1009282563.db2.gz ULMLVWKGCIEDJW-PMACEKPBSA-N 1 0 403.615 3.768 20 30 HHEDRO C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549655384 1009282747 /nfs/dbraw/zinc/28/27/47/1009282747.db2.gz ULMLVWKGCIEDJW-WOJBJXKFSA-N 1 0 403.615 3.768 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000549655491 1009283719 /nfs/dbraw/zinc/28/37/19/1009283719.db2.gz UWGDTIQXHZHGOC-UHFFFAOYSA-N 1 0 418.570 3.819 20 30 HHEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549665537 1009295088 /nfs/dbraw/zinc/29/50/88/1009295088.db2.gz PCILNVNOCZXGOP-PMACEKPBSA-N 1 0 415.626 3.913 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549666195 1009295429 /nfs/dbraw/zinc/29/54/29/1009295429.db2.gz NOHGUCRCEWDAIW-UHFFFAOYSA-N 1 0 423.605 3.960 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000549675296 1009306865 /nfs/dbraw/zinc/30/68/65/1009306865.db2.gz GJSSBIUBSSQCHJ-QHCPKHFHSA-N 1 0 423.605 3.945 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000549691198 1009320766 /nfs/dbraw/zinc/32/07/66/1009320766.db2.gz YRXOPIYQTWOFPX-IFMALSPDSA-N 1 0 409.578 3.555 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000549731968 1009355949 /nfs/dbraw/zinc/35/59/49/1009355949.db2.gz UTXRVMLXDPHNFW-UHFFFAOYSA-N 1 0 423.605 3.692 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nnn(-c3cccc(Cl)c3)c2CCC)CC1 ZINC000520246375 1009365679 /nfs/dbraw/zinc/36/56/79/1009365679.db2.gz DSJNDYWOSLLNMH-UHFFFAOYSA-N 1 0 401.942 3.644 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000549784572 1009393786 /nfs/dbraw/zinc/39/37/86/1009393786.db2.gz BHRFVLIAIDUJIA-UHFFFAOYSA-N 1 0 422.577 3.698 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543872457 1009442337 /nfs/dbraw/zinc/44/23/37/1009442337.db2.gz SYOCEXZCRSFFIT-KRWDZBQOSA-N 1 0 410.477 3.861 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCCC[C@H]1C ZINC000543886927 1009462554 /nfs/dbraw/zinc/46/25/54/1009462554.db2.gz WICZXADROYXGJL-CABCVRRESA-N 1 0 400.914 3.782 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)C1 ZINC000543890131 1009468452 /nfs/dbraw/zinc/46/84/52/1009468452.db2.gz BIBROUAGRZUVPG-WMLDXEAASA-N 1 0 400.914 3.591 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000543892306 1009471980 /nfs/dbraw/zinc/47/19/80/1009471980.db2.gz IOVLQNWEDGQGKV-LSDHHAIUSA-N 1 0 400.914 3.639 20 30 HHEDRO Cc1nc(SCC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C#N)c(C)c1C ZINC000520354740 1009491858 /nfs/dbraw/zinc/49/18/58/1009491858.db2.gz YQECAWSLADSOKQ-HZPDHXFCSA-N 1 0 402.608 3.845 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000543909950 1009495995 /nfs/dbraw/zinc/49/59/95/1009495995.db2.gz FWGKYGMAGMUNDN-FQEVSTJZSA-N 1 0 412.578 3.682 20 30 HHEDRO C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543935248 1009526759 /nfs/dbraw/zinc/52/67/59/1009526759.db2.gz JKSGAFYFQUVYMC-IBGZPJMESA-N 1 0 419.573 3.611 20 30 HHEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000549987827 1009589281 /nfs/dbraw/zinc/58/92/81/1009589281.db2.gz NSNQUZYHDWUACV-HXUWFJFHSA-N 1 0 405.951 3.627 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000543996428 1009596250 /nfs/dbraw/zinc/59/62/50/1009596250.db2.gz NTIANDRYUQIALM-UHFFFAOYSA-N 1 0 407.562 3.819 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000543999514 1009600082 /nfs/dbraw/zinc/60/00/82/1009600082.db2.gz PGFXAZXLVRUTGK-UHFFFAOYSA-N 1 0 401.514 3.728 20 30 HHEDRO N#CCc1ccc(C[NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000544066542 1009669986 /nfs/dbraw/zinc/66/99/86/1009669986.db2.gz GHJMDOQPVANFAG-UHFFFAOYSA-N 1 0 407.543 3.615 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000520619951 1009696999 /nfs/dbraw/zinc/69/69/99/1009696999.db2.gz HCJMBNNMYZEOSN-UHFFFAOYSA-N 1 0 406.530 3.763 20 30 HHEDRO COc1cc(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc(OC)c1OC ZINC000544106646 1009716930 /nfs/dbraw/zinc/71/69/30/1009716930.db2.gz USUDJROLKUIFJF-UHFFFAOYSA-N 1 0 409.486 3.577 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000550181750 1009759098 /nfs/dbraw/zinc/75/90/98/1009759098.db2.gz QMMNKQZSLKOIQE-QHCPKHFHSA-N 1 0 405.542 3.722 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000520693653 1009761780 /nfs/dbraw/zinc/76/17/80/1009761780.db2.gz KFEMDPDTDHDSQZ-UHFFFAOYSA-N 1 0 405.970 3.728 20 30 HHEDRO Cc1ccccc1-c1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c2cnn(C(C)C)c2n1 ZINC000520711385 1009778918 /nfs/dbraw/zinc/77/89/18/1009778918.db2.gz BGECOMYEEABNNT-UHFFFAOYSA-N 1 0 416.529 3.705 20 30 HHEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCCC1 ZINC000520931599 1009985907 /nfs/dbraw/zinc/98/59/07/1009985907.db2.gz IUPBDBJHCBPSFR-JOCHJYFZSA-N 1 0 420.513 3.526 20 30 HHEDRO CC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000544391614 1010012991 /nfs/dbraw/zinc/01/29/91/1010012991.db2.gz NTRNPLYBTNHTDY-DEOSSOPVSA-N 1 0 416.569 3.525 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000521075576 1010092725 /nfs/dbraw/zinc/09/27/25/1010092725.db2.gz ZKJIBRBZPOLCIA-OAQYLSRUSA-N 1 0 412.490 3.604 20 30 HHEDRO Cc1cc(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)nn1-c1cccc(C#N)c1 ZINC000547164859 1010108442 /nfs/dbraw/zinc/10/84/42/1010108442.db2.gz ZDCAYZTUPXMBIK-UHFFFAOYSA-N 1 0 402.433 3.970 20 30 HHEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000521125843 1010148580 /nfs/dbraw/zinc/14/85/80/1010148580.db2.gz XLMLLYDDNCWBKX-QGZVFWFLSA-N 1 0 408.502 3.526 20 30 HHEDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000521127967 1010151522 /nfs/dbraw/zinc/15/15/22/1010151522.db2.gz LFDSQXLFQBSUIB-IBGZPJMESA-N 1 0 400.404 3.505 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)CC1 ZINC000521240492 1010246753 /nfs/dbraw/zinc/24/67/53/1010246753.db2.gz VQCUAVDRABEMTR-SFHVURJKSA-N 1 0 422.367 3.955 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000544663264 1010282132 /nfs/dbraw/zinc/28/21/32/1010282132.db2.gz RIXDZNCLBBUOFX-UHFFFAOYSA-N 1 0 403.486 3.707 20 30 HHEDRO N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000550968974 1010287008 /nfs/dbraw/zinc/28/70/08/1010287008.db2.gz LQTJOQDVIOKURE-XMMPIXPASA-N 1 0 402.542 3.695 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)cc1 ZINC000551231540 1010453511 /nfs/dbraw/zinc/45/35/11/1010453511.db2.gz PJABVZXFMAGTBA-JOCHJYFZSA-N 1 0 404.514 3.692 20 30 HHEDRO COc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)cc1 ZINC000551231542 1010453746 /nfs/dbraw/zinc/45/37/46/1010453746.db2.gz PJABVZXFMAGTBA-QFIPXVFZSA-N 1 0 404.514 3.692 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000521588788 1010484504 /nfs/dbraw/zinc/48/45/04/1010484504.db2.gz KMVJMBMWHRDJPS-UHFFFAOYSA-N 1 0 420.557 3.821 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000551275084 1010488886 /nfs/dbraw/zinc/48/88/86/1010488886.db2.gz MWNYDYLIIGTQHP-UHFFFAOYSA-N 1 0 419.550 3.968 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(c3cccc(Cl)c3C)CC2)CC1 ZINC000551544705 1010651277 /nfs/dbraw/zinc/65/12/77/1010651277.db2.gz PREMROHMFLFUSK-UHFFFAOYSA-N 1 0 404.986 3.911 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(F)c(Cl)c1 ZINC000521846741 1010656242 /nfs/dbraw/zinc/65/62/42/1010656242.db2.gz GQTREWSSTBTLCZ-UHFFFAOYSA-N 1 0 403.885 3.710 20 30 HHEDRO C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548840561 1010742253 /nfs/dbraw/zinc/74/22/53/1010742253.db2.gz XUBMBVKDTQIAGO-UHFFFAOYSA-N 1 0 422.621 3.974 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548912845 1010757284 /nfs/dbraw/zinc/75/72/84/1010757284.db2.gz IUQKDTVICQETAD-UHFFFAOYSA-N 1 0 411.594 3.815 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000522031807 1010766043 /nfs/dbraw/zinc/76/60/43/1010766043.db2.gz LXUPRLPEOCRWNA-DDRJZQQSSA-N 1 0 418.541 3.672 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000522470666 1011032789 /nfs/dbraw/zinc/03/27/89/1011032789.db2.gz IEJRNLKQGWNSHI-DYESRHJHSA-N 1 0 408.546 3.830 20 30 HHEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000540591753 1011249088 /nfs/dbraw/zinc/24/90/88/1011249088.db2.gz YZNQLRWDYQENLL-OFNKIYASSA-N 1 0 408.571 3.506 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000540979564 1011612119 /nfs/dbraw/zinc/61/21/19/1011612119.db2.gz XBSQTBCHQXWACY-SFHVURJKSA-N 1 0 424.505 3.903 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+]1CCC(C)CC1 ZINC000541098331 1011744220 /nfs/dbraw/zinc/74/42/20/1011744220.db2.gz JUKPBXHLUXEIQO-OAHLLOKOSA-N 1 0 400.914 3.639 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000523285222 1011765378 /nfs/dbraw/zinc/76/53/78/1011765378.db2.gz DGAHVYUQBBOXNL-UHFFFAOYSA-N 1 0 419.481 3.601 20 30 HHEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541155772 1011816692 /nfs/dbraw/zinc/81/66/92/1011816692.db2.gz DKFGYAKYWYAUSP-LJQANCHMSA-N 1 0 420.557 3.821 20 30 HHEDRO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541156970 1011817741 /nfs/dbraw/zinc/81/77/41/1011817741.db2.gz MMENMFFILPSKHW-PZJWPPBQSA-N 1 0 418.541 3.650 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000551751280 1011910780 /nfs/dbraw/zinc/91/07/80/1011910780.db2.gz DRPRRCXIJNVLRD-RDTXWAMCSA-N 1 0 402.420 3.755 20 30 HHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)CC1 ZINC000551775765 1011938046 /nfs/dbraw/zinc/93/80/46/1011938046.db2.gz NNVSBKRRQDODQX-UHFFFAOYSA-N 1 0 408.468 3.945 20 30 HHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)CC1 ZINC000551783963 1011945865 /nfs/dbraw/zinc/94/58/65/1011945865.db2.gz DFIQQZIOYVOIRK-UHFFFAOYSA-N 1 0 416.481 3.616 20 30 HHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000541318457 1012028025 /nfs/dbraw/zinc/02/80/25/1012028025.db2.gz LZAJGSAYMKAKGH-UHFFFAOYSA-N 1 0 416.569 3.566 20 30 HHEDRO CN1C(=O)C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000552061902 1012081241 /nfs/dbraw/zinc/08/12/41/1012081241.db2.gz DXKDURSIDZDHHH-GMAHTHKFSA-N 1 0 408.933 3.742 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000541380441 1012098340 /nfs/dbraw/zinc/09/83/40/1012098340.db2.gz LCPUKQGSIPUFPH-JTHBVZDNSA-N 1 0 410.493 3.591 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570264 1012112556 /nfs/dbraw/zinc/11/25/56/1012112556.db2.gz PLLJJDYFXVSYQS-APWZRJJASA-N 1 0 401.507 3.543 20 30 HHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)Cc3c(F)cccc3C#N)cc2)C[C@@H]1C ZINC000552138238 1012157329 /nfs/dbraw/zinc/15/73/29/1012157329.db2.gz JUAGGADCVNLFLS-OALUTQOASA-N 1 0 423.532 3.565 20 30 HHEDRO C[NH+](C)C[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000552210747 1012224205 /nfs/dbraw/zinc/22/42/05/1012224205.db2.gz UGPARHDZLGKJEW-IBGZPJMESA-N 1 0 401.963 3.906 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2)cc1 ZINC000552282181 1012295633 /nfs/dbraw/zinc/29/56/33/1012295633.db2.gz YQGDQXXDAJUDQA-OAQYLSRUSA-N 1 0 416.504 3.529 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000537108199 1012479021 /nfs/dbraw/zinc/47/90/21/1012479021.db2.gz IRCHIBFHZPNZJG-GIIQAUJJSA-N 1 0 410.562 3.783 20 30 HHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)s2)cs1 ZINC000552679862 1012687635 /nfs/dbraw/zinc/68/76/35/1012687635.db2.gz UXYOMIICBSHOQQ-KRWDZBQOSA-N 1 0 413.568 3.818 20 30 HHEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537249650 1012696185 /nfs/dbraw/zinc/69/61/85/1012696185.db2.gz OAVZOOSVKVAQFE-SFTDATJTSA-N 1 0 410.587 3.930 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537290774 1012749093 /nfs/dbraw/zinc/74/90/93/1012749093.db2.gz KOCRHWMWRJTUAL-NHCUHLMSSA-N 1 0 408.571 3.754 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000537305222 1012763018 /nfs/dbraw/zinc/76/30/18/1012763018.db2.gz IIFHQKUBNXEBNI-UHFFFAOYSA-N 1 0 404.436 3.605 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000541906390 1012765411 /nfs/dbraw/zinc/76/54/11/1012765411.db2.gz GIDPSYKWEOLTES-IAGOWNOFSA-N 1 0 412.513 3.763 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000524071887 1012833934 /nfs/dbraw/zinc/83/39/34/1012833934.db2.gz MSRLZKYEGSJSFH-IAGOWNOFSA-N 1 0 402.564 3.561 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000537390724 1012871005 /nfs/dbraw/zinc/87/10/05/1012871005.db2.gz UYMAYCRBJISDOM-DYESRHJHSA-N 1 0 421.944 3.544 20 30 HHEDRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)OC ZINC000542020108 1012912111 /nfs/dbraw/zinc/91/21/11/1012912111.db2.gz ZBMYCHUHULNGRH-MFEFFIJZSA-N 1 0 407.514 3.580 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@H+](C)Cc1ccccc1 ZINC000542027219 1012922221 /nfs/dbraw/zinc/92/22/21/1012922221.db2.gz YTVMYDZBDOSVAG-INIZCTEOSA-N 1 0 406.465 3.525 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000524138861 1012924764 /nfs/dbraw/zinc/92/47/64/1012924764.db2.gz IONXHZYBJJZTNU-ATKRNPRHSA-N 1 0 410.562 3.908 20 30 HHEDRO CCC1(CNC(=O)Nc2cc(C)n(CCC#N)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000537515992 1013030261 /nfs/dbraw/zinc/03/02/61/1013030261.db2.gz YARNDZZVUDULLB-UHFFFAOYSA-N 1 0 408.550 3.919 20 30 HHEDRO C#Cc1cccc(NC(=S)C(C(=O)c2cc(C(=O)OC)co2)[n+]2cccc(C)c2)c1 ZINC000729670742 1071788909 /nfs/dbraw/zinc/78/89/09/1071788909.db2.gz XQNUNPLZSBEHRX-UHFFFAOYSA-O 1 0 419.482 3.694 20 30 HHEDRO C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001212065126 1071943484 /nfs/dbraw/zinc/94/34/84/1071943484.db2.gz YGADMHSWGSBVLN-KSSFIOAISA-N 1 0 423.460 3.518 20 30 HHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC001168370979 1072008914 /nfs/dbraw/zinc/00/89/14/1072008914.db2.gz JHLKXXOECREQNF-HSZRJFAPSA-N 1 0 414.590 3.968 20 30 HHEDRO CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127053521 1072228045 /nfs/dbraw/zinc/22/80/45/1072228045.db2.gz JZFMXUKOSJTCLO-FQEVSTJZSA-N 1 0 412.331 3.596 20 30 HHEDRO COc1ccc(CCNC(NCCc2ccc(NC(C)=O)cc2)=[NH+]C(C)(C)C)cc1 ZINC000912509326 1072244382 /nfs/dbraw/zinc/24/43/82/1072244382.db2.gz CCNZOVUFHKHCNW-UHFFFAOYSA-N 1 0 410.562 3.773 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000760369775 1072284128 /nfs/dbraw/zinc/28/41/28/1072284128.db2.gz YAQIBMBJCCGGKD-PMACEKPBSA-N 1 0 405.542 3.926 20 30 HHEDRO N#CCOc1cccc(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000760403302 1072328933 /nfs/dbraw/zinc/32/89/33/1072328933.db2.gz MAVGLTOWDGMPPL-UPVQGACJSA-N 1 0 403.526 3.645 20 30 HHEDRO Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc(F)c1F ZINC001143600220 1072437780 /nfs/dbraw/zinc/43/77/80/1072437780.db2.gz QIQIQXOYNALIEG-QHCPKHFHSA-N 1 0 412.484 3.659 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000586789630 1072442213 /nfs/dbraw/zinc/44/22/13/1072442213.db2.gz GASNKTRUJYOOSC-JOCHJYFZSA-N 1 0 420.532 3.647 20 30 HHEDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC001168299567 1072461061 /nfs/dbraw/zinc/46/10/61/1072461061.db2.gz GFNDXXYHCPHYTN-UHFFFAOYSA-N 1 0 407.514 3.563 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000586920394 1072502587 /nfs/dbraw/zinc/50/25/87/1072502587.db2.gz WWERLQHYVBBXGC-VXKWHMMOSA-N 1 0 420.532 3.552 20 30 HHEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C12CCC2 ZINC001168337006 1072515050 /nfs/dbraw/zinc/51/50/50/1072515050.db2.gz CATCZPIKYDRSMY-WOJBJXKFSA-N 1 0 414.981 3.807 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000572051047 1073123837 /nfs/dbraw/zinc/12/38/37/1073123837.db2.gz YAYXAZWEXJLGBM-SVIJTADQSA-N 1 0 400.885 3.713 20 30 HHEDRO CCN1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555132874 1073184226 /nfs/dbraw/zinc/18/42/26/1073184226.db2.gz NHZZEQVLPIGDEP-FUHWJXTLSA-N 1 0 406.914 3.776 20 30 HHEDRO N#Cc1c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc2ccccn21 ZINC000555231827 1073276170 /nfs/dbraw/zinc/27/61/70/1073276170.db2.gz CSNLUAZNEFJSDZ-HXUWFJFHSA-N 1 0 401.514 3.547 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555247319 1073289836 /nfs/dbraw/zinc/28/98/36/1073289836.db2.gz CAIKXLJJVJTVNH-UHFFFAOYSA-N 1 0 409.534 3.562 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000555259136 1073291894 /nfs/dbraw/zinc/29/18/94/1073291894.db2.gz ZUUXCDZJPSYZCT-LJQANCHMSA-N 1 0 423.561 3.605 20 30 HHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000555268502 1073301068 /nfs/dbraw/zinc/30/10/68/1073301068.db2.gz MKSZVKUXTDWHJZ-RTBURBONSA-N 1 0 401.599 3.522 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000555274613 1073313755 /nfs/dbraw/zinc/31/37/55/1073313755.db2.gz YKSLMULOIWZSFM-NRFANRHFSA-N 1 0 420.561 3.617 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000555294434 1073325997 /nfs/dbraw/zinc/32/59/97/1073325997.db2.gz XJEJHXUMGGXLDA-FQEVSTJZSA-N 1 0 424.932 3.567 20 30 HHEDRO C[N@H+](CCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CCCCC1 ZINC000555819690 1073870117 /nfs/dbraw/zinc/87/01/17/1073870117.db2.gz VBWGUWRLFCLXEU-UHFFFAOYSA-N 1 0 404.580 3.627 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000555938780 1073985230 /nfs/dbraw/zinc/98/52/30/1073985230.db2.gz WREVMNABDIAHLQ-UHFFFAOYSA-N 1 0 410.949 3.920 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000573342619 1074351216 /nfs/dbraw/zinc/35/12/16/1074351216.db2.gz WHZRAIDBYYERCK-VQFNIZELSA-N 1 0 411.525 3.981 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)CC1 ZINC000592075537 1074687750 /nfs/dbraw/zinc/68/77/50/1074687750.db2.gz GXPZIRJFFHGTJC-UHFFFAOYSA-N 1 0 417.351 3.714 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)CC)CC1 ZINC000592080245 1074688238 /nfs/dbraw/zinc/68/82/38/1074688238.db2.gz UNHWARJAAWXXHG-JXFKEZNVSA-N 1 0 405.970 3.641 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000592077158 1074688256 /nfs/dbraw/zinc/68/82/56/1074688256.db2.gz DKCGIEOUXMLVFR-UHFFFAOYSA-N 1 0 400.954 3.972 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000760936520 1074700131 /nfs/dbraw/zinc/70/01/31/1074700131.db2.gz LZFMPSMMQZTQEP-WMZOPIPTSA-N 1 0 420.513 3.667 20 30 HHEDRO COc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(C#N)c(Cl)n1 ZINC001164389823 718815169 /nfs/dbraw/zinc/81/51/69/718815169.db2.gz ZXTKDGDMSNELCL-CQSZACIVSA-N 1 0 424.801 3.671 20 30 HHEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)nc1C(F)(F)F ZINC001164421900 718893454 /nfs/dbraw/zinc/89/34/54/718893454.db2.gz ZCGVBBATNJKAMP-LBPRGKRZSA-N 1 0 423.817 3.924 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164815385 720077308 /nfs/dbraw/zinc/07/73/08/720077308.db2.gz YXGAXZDGZMQWBT-BWKNWUBXSA-N 1 0 420.532 3.944 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@@H]21 ZINC001164840845 720532012 /nfs/dbraw/zinc/53/20/12/720532012.db2.gz UEXJELQWMMMFMI-GIWBLDEGSA-N 1 0 400.530 3.681 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(Cl)c3C#N)CC[C@@H]21 ZINC001164839290 720638267 /nfs/dbraw/zinc/63/82/67/720638267.db2.gz NCKQAYVKMUCEMR-VKJFTORMSA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839286 720638514 /nfs/dbraw/zinc/63/85/14/720638514.db2.gz NCKQAYVKMUCEMR-RVKKMQEKSA-N 1 0 419.360 3.834 20 30 HHEDRO C=CCOc1cc(C)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843657 720691401 /nfs/dbraw/zinc/69/14/01/720691401.db2.gz PWMWYRCNXVDFGL-NRFANRHFSA-N 1 0 408.546 3.610 20 30 HHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)c(C#N)cc1C#N)CC2 ZINC001164792295 721495156 /nfs/dbraw/zinc/49/51/56/721495156.db2.gz NFBKCTPZOQZGQF-UHFFFAOYSA-N 1 0 406.921 3.754 20 30 HHEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164897854 721513632 /nfs/dbraw/zinc/51/36/32/721513632.db2.gz GNZKIZBDXJVBIU-SJLPKXTDSA-N 1 0 400.885 3.705 20 30 HHEDRO N#Cc1c(Cl)ccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906572 721694268 /nfs/dbraw/zinc/69/42/68/721694268.db2.gz NKNGJSGTEVYQJG-IBGZPJMESA-N 1 0 403.864 3.739 20 30 HHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)C[C@@H]21 ZINC001165027389 721823525 /nfs/dbraw/zinc/82/35/25/721823525.db2.gz SAFFLIJWYAJKCG-WNOPAQSVSA-N 1 0 401.558 3.964 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3[nH]c(C#N)cc3n2)CC1 ZINC001165023199 721843294 /nfs/dbraw/zinc/84/32/94/721843294.db2.gz YONRUJFVXSLLBZ-UHFFFAOYSA-N 1 0 405.502 3.553 20 30 HHEDRO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4cccc(F)c4C#N)CC3)n2)cc1 ZINC000301144578 970769776 /nfs/dbraw/zinc/76/97/76/970769776.db2.gz KQPQKKBWEYIKNL-UHFFFAOYSA-N 1 0 405.477 3.811 20 30 HHEDRO N#Cc1cc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c2ccccc2n1 ZINC000301394211 970906154 /nfs/dbraw/zinc/90/61/54/970906154.db2.gz DCNRENILWVGNCJ-HXUWFJFHSA-N 1 0 412.541 3.540 20 30 HHEDRO CCc1ccc(C[NH+]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)s1 ZINC000301405814 970912335 /nfs/dbraw/zinc/91/23/35/970912335.db2.gz UONCORHVKYITRR-UHFFFAOYSA-N 1 0 407.499 3.961 20 30 HHEDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n2c3ccccc3nc2c1C#N ZINC000301716961 971040128 /nfs/dbraw/zinc/04/01/28/971040128.db2.gz XYTPCLZSBQFMBY-YADHBBJMSA-N 1 0 403.530 3.847 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000542132682 1013064591 /nfs/dbraw/zinc/06/45/91/1013064591.db2.gz IMKRNPNGVDPOBK-UHFFFAOYSA-N 1 0 407.562 3.939 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000302390681 971231241 /nfs/dbraw/zinc/23/12/41/971231241.db2.gz BTEHCGSIBJUAPF-XMMPIXPASA-N 1 0 404.489 3.627 20 30 HHEDRO N#Cc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000302633878 971267504 /nfs/dbraw/zinc/26/75/04/971267504.db2.gz HANPENXTCHIGKW-UHFFFAOYSA-N 1 0 421.486 3.559 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000303286412 971599634 /nfs/dbraw/zinc/59/96/34/971599634.db2.gz VYOGXTNYBVDFJR-QHCPKHFHSA-N 1 0 403.530 3.688 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 ZINC000303308902 971618477 /nfs/dbraw/zinc/61/84/77/971618477.db2.gz RNQMLIXYPSCYHI-UHFFFAOYSA-N 1 0 406.452 3.970 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000303385269 971675341 /nfs/dbraw/zinc/67/53/41/971675341.db2.gz YGEMJSRFAMMQOV-UHFFFAOYSA-N 1 0 417.557 3.924 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000303442527 971733512 /nfs/dbraw/zinc/73/35/12/971733512.db2.gz YZZIBONEJLOEDE-UHFFFAOYSA-N 1 0 411.571 3.571 20 30 HHEDRO C=CC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC1CCCCC1 ZINC000303443421 971734864 /nfs/dbraw/zinc/73/48/64/971734864.db2.gz IDUCVQHDWYKFRW-UHFFFAOYSA-N 1 0 422.367 3.572 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000303628530 971910676 /nfs/dbraw/zinc/91/06/76/971910676.db2.gz FECHBHABQXFLOE-LJQANCHMSA-N 1 0 407.562 3.688 20 30 HHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000303634961 971915186 /nfs/dbraw/zinc/91/51/86/971915186.db2.gz ZLWWFTDPJRVSEV-UHFFFAOYSA-N 1 0 411.505 3.925 20 30 HHEDRO C[NH+](C)C1(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCOCC1 ZINC000303702402 971970630 /nfs/dbraw/zinc/97/06/30/971970630.db2.gz XMDRLEDXYQUBHJ-UHFFFAOYSA-N 1 0 413.905 3.845 20 30 HHEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)N2CCCCC2)cc1 ZINC000303774009 972019912 /nfs/dbraw/zinc/01/99/12/972019912.db2.gz FRZJHAVWNUYXEJ-HXUWFJFHSA-N 1 0 412.534 3.666 20 30 HHEDRO C[C@@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000303786175 972027229 /nfs/dbraw/zinc/02/72/29/972027229.db2.gz UCSTYYGQFVWGOB-ZJSXRUAMSA-N 1 0 404.558 3.918 20 30 HHEDRO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000537592357 1013132446 /nfs/dbraw/zinc/13/24/46/1013132446.db2.gz YCMAHJWJYYEOHM-IBGZPJMESA-N 1 0 403.526 3.617 20 30 HHEDRO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000553196091 1013153727 /nfs/dbraw/zinc/15/37/27/1013153727.db2.gz CIMURVLWNOLWNV-QHCPKHFHSA-N 1 0 411.509 3.655 20 30 HHEDRO [NH2+]=C(NCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303863676 972405837 /nfs/dbraw/zinc/40/58/37/972405837.db2.gz ALUPEDZFJGDWJV-UHFFFAOYSA-N 1 0 402.882 3.647 20 30 HHEDRO [NH2+]=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303863929 972406051 /nfs/dbraw/zinc/40/60/51/972406051.db2.gz ARXZGNNOPDDNJP-UGKGYDQZSA-N 1 0 412.965 3.945 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1Cl ZINC000303872247 972414187 /nfs/dbraw/zinc/41/41/87/972414187.db2.gz GCYNNXVHKHZNSW-CYBMUJFWSA-N 1 0 417.815 3.534 20 30 HHEDRO Cc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303871502 972413173 /nfs/dbraw/zinc/41/31/73/972413173.db2.gz BRHVOOXAOJNTIU-LJQANCHMSA-N 1 0 422.451 3.694 20 30 HHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303877333 972418547 /nfs/dbraw/zinc/41/85/47/972418547.db2.gz IMBSRDHJSIRCIA-HDICACEKSA-N 1 0 422.573 3.988 20 30 HHEDRO CC[N@@H+]1CCC[C@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000553237723 1013203333 /nfs/dbraw/zinc/20/33/33/1013203333.db2.gz FVGSZZWQJUXCJS-QGZVFWFLSA-N 1 0 402.970 3.666 20 30 HHEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C2CC2)cc1 ZINC000542247015 1013205749 /nfs/dbraw/zinc/20/57/49/1013205749.db2.gz DVLXEGPPNODTQN-LJQANCHMSA-N 1 0 401.304 3.725 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+]C(C)(C)COc1ncccc1Br ZINC000537707810 1013273368 /nfs/dbraw/zinc/27/33/68/1013273368.db2.gz LFIYFAYQIPKOJZ-UHFFFAOYSA-N 1 0 420.307 3.550 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2cccc(CO)c2)c(C)n1C ZINC000010167303 961755939 /nfs/dbraw/zinc/75/59/39/961755939.db2.gz DJRYDYGTFOUOCV-UHFFFAOYSA-O 1 0 408.547 3.781 20 30 HHEDRO C=CCOc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc1OC ZINC000537728662 1013290175 /nfs/dbraw/zinc/29/01/75/1013290175.db2.gz OIHSEHDWECFYDB-NRFANRHFSA-N 1 0 410.514 3.836 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 ZINC000010707733 961890118 /nfs/dbraw/zinc/89/01/18/961890118.db2.gz SRMVDRRRSUDEBU-UHFFFAOYSA-N 1 0 404.539 3.835 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553355686 1013296532 /nfs/dbraw/zinc/29/65/32/1013296532.db2.gz IOMXCHFOUZVANY-QGZVFWFLSA-N 1 0 411.525 3.811 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000553364104 1013303607 /nfs/dbraw/zinc/30/36/07/1013303607.db2.gz FBZDCXFAPGQZGU-ROUUACIJSA-N 1 0 405.477 3.997 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000537742472 1013304768 /nfs/dbraw/zinc/30/47/68/1013304768.db2.gz IJJKDCQQGLNUOQ-UHFFFAOYSA-N 1 0 418.950 3.534 20 30 HHEDRO C[NH+]1CCC(C)(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000553455990 1013368410 /nfs/dbraw/zinc/36/84/10/1013368410.db2.gz MKVSLCYCLILERW-UHFFFAOYSA-N 1 0 402.970 3.666 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000542423404 1013375523 /nfs/dbraw/zinc/37/55/23/1013375523.db2.gz ZFVSLCBXKOMUTP-AZUAARDMSA-N 1 0 414.550 3.702 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000553537794 1013434538 /nfs/dbraw/zinc/43/45/38/1013434538.db2.gz SJGUKRPSIXOMBE-HUVFLSCGSA-N 1 0 419.569 3.979 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691225 963698044 /nfs/dbraw/zinc/69/80/44/963698044.db2.gz GISDSPMLEDSOKJ-QGZVFWFLSA-O 1 0 419.517 3.912 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(F)c(F)c1)C(=S)NC[C@H]1CCCO1 ZINC000022691258 963698061 /nfs/dbraw/zinc/69/80/61/963698061.db2.gz ZPTGGOLLYFPGJK-MRXNPFEDSA-O 1 0 405.490 3.522 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)cc1)C(=S)NC[C@H]1CCCO1 ZINC000022690787 963698130 /nfs/dbraw/zinc/69/81/30/963698130.db2.gz QJFXCJBAKQLXIP-GOSISDBHSA-O 1 0 403.955 3.897 20 30 HHEDRO COCCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000022793368 963718194 /nfs/dbraw/zinc/71/81/94/963718194.db2.gz ZMUPUCIPWXDNCM-UHFFFAOYSA-O 1 0 407.506 3.725 20 30 HHEDRO N#Cc1ccsc1NC(=O)CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022830433 963724934 /nfs/dbraw/zinc/72/49/34/963724934.db2.gz PYIOPXZTMMBEGW-UHFFFAOYSA-N 1 0 422.476 3.785 20 30 HHEDRO Cc1onc(CC(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c1C#N ZINC000553546764 1013442389 /nfs/dbraw/zinc/44/23/89/1013442389.db2.gz LAGMJKMJQMRHOD-OAQYLSRUSA-N 1 0 408.546 3.589 20 30 HHEDRO COc1cc(CCC2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000025307317 964238440 /nfs/dbraw/zinc/23/84/40/964238440.db2.gz YRHGGNLGPSMWOH-JOCHJYFZSA-N 1 0 424.541 3.660 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)cc1 ZINC000026446780 964564739 /nfs/dbraw/zinc/56/47/39/964564739.db2.gz NDEQKEVDBIDEHW-LJQANCHMSA-N 1 0 401.304 3.725 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000052485626 964916291 /nfs/dbraw/zinc/91/62/91/964916291.db2.gz KYYSDVQZIUPGQW-GUDVDZBRSA-N 1 0 419.639 3.526 20 30 HHEDRO N#Cc1cccc(OCC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000052834004 964996297 /nfs/dbraw/zinc/99/62/97/964996297.db2.gz TUGYLRDMKNWMAU-UHFFFAOYSA-N 1 0 401.304 3.995 20 30 HHEDRO CC[C@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000028155015 965046712 /nfs/dbraw/zinc/04/67/12/965046712.db2.gz ZUQAVOPWGSBXEE-QHCPKHFHSA-N 1 0 424.976 3.987 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C(=S)NCC)cc1 ZINC000028694299 965164133 /nfs/dbraw/zinc/16/41/33/965164133.db2.gz SVBKUGNGKOKXBR-UHFFFAOYSA-O 1 0 416.567 3.597 20 30 HHEDRO Cc1ccc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NCc2ccccc2)c1 ZINC000028777358 965179340 /nfs/dbraw/zinc/17/93/40/965179340.db2.gz AUXSGQLBBMIBLX-UHFFFAOYSA-O 1 0 406.487 3.919 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl ZINC000028900578 965211466 /nfs/dbraw/zinc/21/14/66/965211466.db2.gz SMFARRCTWGAOKY-UHFFFAOYSA-N 1 0 424.932 3.569 20 30 HHEDRO COc1ccc([C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000054020171 965355461 /nfs/dbraw/zinc/35/54/61/965355461.db2.gz TZXKBGINTYNHPF-DEOSSOPVSA-N 1 0 418.541 3.935 20 30 HHEDRO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000029366427 965360258 /nfs/dbraw/zinc/36/02/58/965360258.db2.gz QCUHPAYCGBHAMO-UHFFFAOYSA-N 1 0 410.521 3.810 20 30 HHEDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000054394405 965502116 /nfs/dbraw/zinc/50/21/16/965502116.db2.gz QAOVOJUMJINXTP-HNNXBMFYSA-N 1 0 403.548 3.635 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000055103370 965755202 /nfs/dbraw/zinc/75/52/02/965755202.db2.gz KRDQKILPYRYWIQ-UHFFFAOYSA-N 1 0 407.514 3.917 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000060090213 966060126 /nfs/dbraw/zinc/06/01/26/966060126.db2.gz KVWLBXNRFKQKBO-HXUWFJFHSA-N 1 0 405.502 3.563 20 30 HHEDRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000538069603 1013643775 /nfs/dbraw/zinc/64/37/75/1013643775.db2.gz POGIAJGKJBNPCA-UHFFFAOYSA-N 1 0 406.530 3.525 20 30 HHEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000061001708 966348031 /nfs/dbraw/zinc/34/80/31/966348031.db2.gz AFWNGNLHOWOOKA-LJQANCHMSA-N 1 0 403.320 3.973 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC#Cc1ccccc1 ZINC000056595740 966387624 /nfs/dbraw/zinc/38/76/24/966387624.db2.gz ALOIFGQJISEURQ-UHFFFAOYSA-N 1 0 414.347 3.574 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000553846634 1013654084 /nfs/dbraw/zinc/65/40/84/1013654084.db2.gz JSKZYFRCRCILQE-OAQYLSRUSA-N 1 0 410.562 3.587 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000056932882 966519877 /nfs/dbraw/zinc/51/98/77/966519877.db2.gz AVXXXBVLRMIAEN-QFIPXVFZSA-N 1 0 406.530 3.935 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000056932883 966520261 /nfs/dbraw/zinc/52/02/61/966520261.db2.gz AVXXXBVLRMIAEN-JOCHJYFZSA-N 1 0 406.530 3.935 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1)c1ccccc1 ZINC000061781603 966550026 /nfs/dbraw/zinc/55/00/26/966550026.db2.gz OROCQMMCXLKYAX-QFIPXVFZSA-N 1 0 417.534 3.506 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000062045825 966605785 /nfs/dbraw/zinc/60/57/85/966605785.db2.gz ZLFGHIRDUDYVEV-UHFFFAOYSA-N 1 0 424.932 3.698 20 30 HHEDRO COc1ccc(C)cc1C1(C[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)CCOCC1 ZINC000062242299 966629331 /nfs/dbraw/zinc/62/93/31/966629331.db2.gz VKNHMPZUMYLWRY-GOSISDBHSA-N 1 0 407.514 3.540 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1 ZINC000062403656 966664413 /nfs/dbraw/zinc/66/44/13/966664413.db2.gz YUMOARDJNZJWLU-UHFFFAOYSA-N 1 0 414.937 3.852 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062410863 966669211 /nfs/dbraw/zinc/66/92/11/966669211.db2.gz IGPJLJRTOFBGGH-UHFFFAOYSA-N 1 0 402.445 3.831 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000063424019 966852080 /nfs/dbraw/zinc/85/20/80/966852080.db2.gz VCMJVMYIYPZVSX-UHFFFAOYSA-N 1 0 404.514 3.553 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(OC(F)F)c1 ZINC000538119717 1013682275 /nfs/dbraw/zinc/68/22/75/1013682275.db2.gz ROUCBTQGMUUCGW-AWEZNQCLSA-N 1 0 411.412 3.635 20 30 HHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000538123973 1013686123 /nfs/dbraw/zinc/68/61/23/1013686123.db2.gz FXLOPIJFJLGKKW-XMSQKQJNSA-N 1 0 403.482 3.623 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000063751083 966946064 /nfs/dbraw/zinc/94/60/64/966946064.db2.gz IHKZRQYRUVMKFB-JOCHJYFZSA-N 1 0 419.525 3.904 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)cc1 ZINC000063918424 966998019 /nfs/dbraw/zinc/99/80/19/966998019.db2.gz PXEAAHGSFMINKZ-UHFFFAOYSA-N 1 0 414.571 3.804 20 30 HHEDRO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361420 967155778 /nfs/dbraw/zinc/15/57/78/967155778.db2.gz WPVCGIZVTATVHV-UHFFFAOYSA-N 1 0 408.506 3.580 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000064470666 967200041 /nfs/dbraw/zinc/20/00/41/967200041.db2.gz IDAZSBDSRMISDV-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000553953867 1013721180 /nfs/dbraw/zinc/72/11/80/1013721180.db2.gz WCYQLDLQVXPADW-IBGZPJMESA-N 1 0 406.313 3.953 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000045768202 967549352 /nfs/dbraw/zinc/54/93/52/967549352.db2.gz VIEOKLORPYHHBE-INIZCTEOSA-N 1 0 400.592 3.776 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000045787386 967552646 /nfs/dbraw/zinc/55/26/46/967552646.db2.gz TVNLKKACPYXKFK-RTBURBONSA-N 1 0 406.530 3.509 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000046503955 967830686 /nfs/dbraw/zinc/83/06/86/967830686.db2.gz UHRTVLZMHLNYPJ-VWLOTQADSA-N 1 0 416.569 3.650 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c1C#N ZINC000542912105 1013752304 /nfs/dbraw/zinc/75/23/04/1013752304.db2.gz SIDXKNGWJMCMED-JOCHJYFZSA-N 1 0 402.498 3.536 20 30 HHEDRO N#Cc1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1OCC(F)(F)F ZINC000047521197 968220018 /nfs/dbraw/zinc/22/00/18/968220018.db2.gz MGNLEETUMHVKGN-UHFFFAOYSA-N 1 0 410.440 3.982 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000538230854 1013780265 /nfs/dbraw/zinc/78/02/65/1013780265.db2.gz ZUUHQHIKPDVFAS-IRXDYDNUSA-N 1 0 420.542 3.808 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000542956302 1013787066 /nfs/dbraw/zinc/78/70/66/1013787066.db2.gz VQMIMYUVASCMFE-UHFFFAOYSA-N 1 0 412.513 3.763 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NCCSCc1ccccc1C#N)c1cccc(F)c1 ZINC000047935811 968370360 /nfs/dbraw/zinc/37/03/60/968370360.db2.gz CJDAVHPDUMLMSP-FQEVSTJZSA-N 1 0 400.523 3.533 20 30 HHEDRO O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964474 968379213 /nfs/dbraw/zinc/37/92/13/968379213.db2.gz HIUFKSNNJZXYFA-GOSISDBHSA-N 1 0 406.511 3.789 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)Cc1ccccc1 ZINC000048184221 968474266 /nfs/dbraw/zinc/47/42/66/968474266.db2.gz OPLNULAQDWYSNY-HXUWFJFHSA-N 1 0 403.482 3.633 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nc2ccccc2s1 ZINC000065930030 968719832 /nfs/dbraw/zinc/71/98/32/968719832.db2.gz BCCYUUIXAARWMB-UHFFFAOYSA-N 1 0 410.568 3.850 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000065930235 968720788 /nfs/dbraw/zinc/72/07/88/968720788.db2.gz KJZPJCAVRICQLF-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO Cc1cc(C)n(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)n1 ZINC000065931194 968721688 /nfs/dbraw/zinc/72/16/88/968721688.db2.gz HOUMJPSTWSLAIM-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000065975259 968747076 /nfs/dbraw/zinc/74/70/76/968747076.db2.gz JOUJMXTYAHXKMP-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO CC(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCN(C)CC1 ZINC000072025790 968939519 /nfs/dbraw/zinc/93/95/19/968939519.db2.gz CKWRUTYGOKOUIY-JOCHJYFZSA-N 1 0 421.545 3.744 20 30 HHEDRO CC(C)[C@H](CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCN(C)CC1 ZINC000072025791 968939800 /nfs/dbraw/zinc/93/98/00/968939800.db2.gz CKWRUTYGOKOUIY-QFIPXVFZSA-N 1 0 421.545 3.744 20 30 HHEDRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000072030948 968942728 /nfs/dbraw/zinc/94/27/28/968942728.db2.gz HIJUOSDHOKTHAT-SFHVURJKSA-N 1 0 403.530 3.529 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)cc1 ZINC000072073475 968974255 /nfs/dbraw/zinc/97/42/55/968974255.db2.gz LWQBBHAKHXRCEO-SFHVURJKSA-N 1 0 401.304 3.729 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000538313921 1013844585 /nfs/dbraw/zinc/84/45/85/1013844585.db2.gz RZSQEKGBQZGFSN-NRFANRHFSA-N 1 0 414.550 3.507 20 30 HHEDRO Cc1cccc(C)c1NC(=O)[C@@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000097571271 969164778 /nfs/dbraw/zinc/16/47/78/969164778.db2.gz UDTXCEOEFIUJTN-LJQANCHMSA-N 1 0 408.546 3.953 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000554252547 1013876789 /nfs/dbraw/zinc/87/67/89/1013876789.db2.gz JWFULHCDUCHVNH-HXUWFJFHSA-N 1 0 401.507 3.680 20 30 HHEDRO C=CCOc1ccc(CNC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000554255476 1013878740 /nfs/dbraw/zinc/87/87/40/1013878740.db2.gz YTEPGNNFEHUFCP-QFIPXVFZSA-N 1 0 409.530 3.896 20 30 HHEDRO COc1ccc(Cl)cc1NCCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000109347533 969503934 /nfs/dbraw/zinc/50/39/34/969503934.db2.gz VLWSYVGDKOVESQ-UHFFFAOYSA-N 1 0 414.937 3.613 20 30 HHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1 ZINC000109405762 969513517 /nfs/dbraw/zinc/51/35/17/969513517.db2.gz HPDDXQWQPUELFN-UHFFFAOYSA-N 1 0 406.530 3.634 20 30 HHEDRO COC(=O)CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000110179229 969633567 /nfs/dbraw/zinc/63/35/67/969633567.db2.gz DDEYPSQOHNSCDS-UHFFFAOYSA-N 1 0 411.527 3.502 20 30 HHEDRO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2cccc(Cn3nc(C)cc3C)c2)c1C ZINC000110182460 969633936 /nfs/dbraw/zinc/63/39/36/969633936.db2.gz BWTHUPIWIZWIDP-UHFFFAOYSA-N 1 0 419.529 3.672 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040244 969765484 /nfs/dbraw/zinc/76/54/84/969765484.db2.gz VFEZUPSHUQJNFG-KRWDZBQOSA-N 1 0 411.525 3.811 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000111200808 969801228 /nfs/dbraw/zinc/80/12/28/969801228.db2.gz JFTMYZLFCIRYRN-PMACEKPBSA-N 1 0 412.578 3.586 20 30 HHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000111226693 969811197 /nfs/dbraw/zinc/81/11/97/969811197.db2.gz CYVFNTABEGHZFD-UHFFFAOYSA-N 1 0 417.497 3.625 20 30 HHEDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000112544697 969815838 /nfs/dbraw/zinc/81/58/38/969815838.db2.gz UJAGKARRHXKHTF-OAHLLOKOSA-N 1 0 420.941 3.777 20 30 HHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000116676017 969913703 /nfs/dbraw/zinc/91/37/03/969913703.db2.gz XWKRSZVMVUHNRC-GDBMZVCRSA-N 1 0 406.552 3.716 20 30 HHEDRO CC(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000117174562 969940149 /nfs/dbraw/zinc/94/01/49/969940149.db2.gz FSTHMFSRXLOEHK-HSZRJFAPSA-N 1 0 407.583 3.991 20 30 HHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000195662323 969940256 /nfs/dbraw/zinc/94/02/56/969940256.db2.gz AGHJTYYYGMBHII-JPYJTQIMSA-N 1 0 415.493 3.901 20 30 HHEDRO COc1ccc(C)cc1C(=O)C(C(=S)NC(C)(C)C)[n+]1ccc(N(C)C)cc1 ZINC000132980453 969973607 /nfs/dbraw/zinc/97/36/07/969973607.db2.gz MGTUNTJTMDLIIV-UHFFFAOYSA-O 1 0 400.568 3.684 20 30 HHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 ZINC000139614877 970038582 /nfs/dbraw/zinc/03/85/82/970038582.db2.gz KHTZRBLJCOVPPF-UHFFFAOYSA-N 1 0 418.501 3.734 20 30 HHEDRO COc1ccc([C@H]([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000218769611 970086035 /nfs/dbraw/zinc/08/60/35/970086035.db2.gz CPKMNTBCKAFZFY-JOCHJYFZSA-N 1 0 416.443 3.923 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCN(c4ccc(Br)cc4)C3)n2c1 ZINC000236608938 970146007 /nfs/dbraw/zinc/14/60/07/970146007.db2.gz STZYFKMGUZZCIY-INIZCTEOSA-N 1 0 410.319 3.585 20 30 HHEDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000236765578 970169543 /nfs/dbraw/zinc/16/95/43/970169543.db2.gz YJPIMGKQJQPAST-FQEVSTJZSA-N 1 0 409.534 3.953 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237013082 970206569 /nfs/dbraw/zinc/20/65/69/970206569.db2.gz FEQAZJHTUROZCJ-ROUUACIJSA-N 1 0 415.559 3.859 20 30 HHEDRO C=C(C)C[NH+]1CCC(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237112723 970224676 /nfs/dbraw/zinc/22/46/76/970224676.db2.gz YLSRWRMLKXUJMX-UHFFFAOYSA-N 1 0 417.428 3.675 20 30 HHEDRO C=CCN1CCC([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000237115527 970225245 /nfs/dbraw/zinc/22/52/45/970225245.db2.gz JRBADCFMJFHBFV-UHFFFAOYSA-N 1 0 411.502 3.922 20 30 HHEDRO COc1ccc(CNC(=O)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237313428 970260765 /nfs/dbraw/zinc/26/07/65/970260765.db2.gz XPVFNCCWXTVXBC-UHFFFAOYSA-N 1 0 415.493 3.552 20 30 HHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3cccc(C#N)c3)c2)cc1 ZINC000237476068 970295353 /nfs/dbraw/zinc/29/53/53/970295353.db2.gz GWSVOHYCAXURMW-UHFFFAOYSA-N 1 0 401.466 3.988 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@@H](C)O1 ZINC000237658729 970332601 /nfs/dbraw/zinc/33/26/01/970332601.db2.gz JAUPXMURZBAXMO-WOJBJXKFSA-N 1 0 421.541 3.908 20 30 HHEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000554564999 1013978451 /nfs/dbraw/zinc/97/84/51/1013978451.db2.gz RKHSDVZERRJFLU-UHFFFAOYSA-N 1 0 413.319 3.730 20 30 HHEDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000237764306 970359564 /nfs/dbraw/zinc/35/95/64/970359564.db2.gz PBTZFNVVJQBQHS-UHFFFAOYSA-N 1 0 403.482 3.948 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000237823145 970375371 /nfs/dbraw/zinc/37/53/71/970375371.db2.gz LXIPVIGEPMWLBA-UHFFFAOYSA-N 1 0 420.962 3.979 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c1 ZINC000237827714 970376728 /nfs/dbraw/zinc/37/67/28/970376728.db2.gz PTNLGVPLFDJYSP-UHFFFAOYSA-N 1 0 408.498 3.936 20 30 HHEDRO Cn1c(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)nc2c1cccc2F ZINC000237853152 970381061 /nfs/dbraw/zinc/38/10/61/970381061.db2.gz CVXGUDMGEQWWAA-UHFFFAOYSA-N 1 0 402.477 3.822 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCNC(=O)c2ccccc2Cl)c(-c2ccccc2)n1 ZINC000237856118 970381761 /nfs/dbraw/zinc/38/17/61/970381761.db2.gz ARFDKQOEVMCDFJ-UHFFFAOYSA-N 1 0 407.905 3.637 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000554628879 1013993426 /nfs/dbraw/zinc/99/34/26/1013993426.db2.gz HLORAHDNXJQGIV-CVDCTZTESA-N 1 0 420.557 3.547 20 30 HHEDRO CCCCOc1ccc(C(=O)C(C(=S)NCC)[n+]2ccc(N(C)C)cc2)cc1 ZINC000283756551 970721125 /nfs/dbraw/zinc/72/11/25/970721125.db2.gz AMEGPLRJBWAIHP-UHFFFAOYSA-O 1 0 400.568 3.767 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000303971384 972559098 /nfs/dbraw/zinc/55/90/98/972559098.db2.gz DONMXQBSCZAJBS-UHFFFAOYSA-N 1 0 407.436 3.859 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000303986715 972569536 /nfs/dbraw/zinc/56/95/36/972569536.db2.gz URXIJPNJMCHVOO-IBGZPJMESA-N 1 0 400.523 3.949 20 30 HHEDRO [NH2+]=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)N[C@H]1CCOc2ccccc21 ZINC000304476806 972601061 /nfs/dbraw/zinc/60/10/61/972601061.db2.gz HURRKXAGIBSEJG-IBGZPJMESA-N 1 0 407.514 3.698 20 30 HHEDRO CCCCNC(=O)c1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304502239 972601285 /nfs/dbraw/zinc/60/12/85/972601285.db2.gz PSONNSYLLCJOPZ-UHFFFAOYSA-N 1 0 422.451 3.720 20 30 HHEDRO [NH2+]=C(NCc1cccnc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000304488714 972601478 /nfs/dbraw/zinc/60/14/78/972601478.db2.gz MNAPNRICGZBRFU-UHFFFAOYSA-N 1 0 403.486 3.637 20 30 HHEDRO [NH2+]=C(NCC(=O)N1CCc2ccccc2C1)Nc1cccc(Oc2ccccc2)c1 ZINC000304512131 972602606 /nfs/dbraw/zinc/60/26/06/972602606.db2.gz TYTIVKCUSGFYEC-UHFFFAOYSA-N 1 0 400.482 3.790 20 30 HHEDRO COc1cc(OC)cc([C@H](O)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304762193 972605122 /nfs/dbraw/zinc/60/51/22/972605122.db2.gz VJSDQZDIRZTNGB-BBATYDOGSA-N 1 0 412.317 3.710 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000304758137 972605744 /nfs/dbraw/zinc/60/57/44/972605744.db2.gz POJOTOLZWJLSRT-NRFANRHFSA-N 1 0 408.546 3.538 20 30 HHEDRO [NH2+]=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)Nc1ccccc1OC(F)(F)F ZINC000305227964 972611546 /nfs/dbraw/zinc/61/15/46/972611546.db2.gz KZUNEAHFIMNLIP-KRWDZBQOSA-N 1 0 422.407 3.630 20 30 HHEDRO C[NH+]=C(NCc1cc2ccccc2[nH]1)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000305507114 972613184 /nfs/dbraw/zinc/61/31/84/972613184.db2.gz OZSZSDHBNRPXKZ-SFHVURJKSA-N 1 0 406.530 3.757 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000409492337 972943193 /nfs/dbraw/zinc/94/31/93/972943193.db2.gz PVRUQMQRSONJCY-KGLIPLIRSA-N 1 0 415.481 3.508 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000554848762 1014073707 /nfs/dbraw/zinc/07/37/07/1014073707.db2.gz NYGUTDVUBIVFAO-STQMWFEESA-N 1 0 416.403 3.601 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000409573697 973023046 /nfs/dbraw/zinc/02/30/46/973023046.db2.gz GEIMDCBMVFBDHY-NRFANRHFSA-N 1 0 419.569 3.876 20 30 HHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409603500 973050629 /nfs/dbraw/zinc/05/06/29/973050629.db2.gz WSEJFVXGUNYMKV-UHFFFAOYSA-N 1 0 417.538 3.854 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409744060 973219659 /nfs/dbraw/zinc/21/96/59/973219659.db2.gz CSZACBXLOZLSDU-KNQAVFIVSA-N 1 0 413.525 3.869 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)Nc1cccc(C#N)c1 ZINC000409850191 973318668 /nfs/dbraw/zinc/31/86/68/973318668.db2.gz LPJULOPEMTYPBP-SJKOYZFVSA-N 1 0 400.276 3.761 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)CC1 ZINC000409863609 973332024 /nfs/dbraw/zinc/33/20/24/973332024.db2.gz CQSPJPYWVMUYFH-UHFFFAOYSA-N 1 0 414.513 3.527 20 30 HHEDRO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCCC4(C#N)CCOCC4)CC3)n2)cc1 ZINC000410324411 973877486 /nfs/dbraw/zinc/87/74/86/973877486.db2.gz ROXVBBQOAOZGDP-FQEVSTJZSA-N 1 0 423.561 3.824 20 30 HHEDRO N#CC1(CCC[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)CCOCC1 ZINC000410413163 974011364 /nfs/dbraw/zinc/01/13/64/974011364.db2.gz IIYOFWBCWNUHNB-UHFFFAOYSA-N 1 0 424.358 3.806 20 30 HHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000425913237 974027232 /nfs/dbraw/zinc/02/72/32/974027232.db2.gz FFYMUOOMPBQNCT-GOSISDBHSA-N 1 0 421.314 3.675 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000425988385 974100143 /nfs/dbraw/zinc/10/01/43/974100143.db2.gz FYEQSKKKYIWILQ-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO C=CCn1c(SCC(=O)N[C@@H](C)C[N@H+](C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000426785119 974657343 /nfs/dbraw/zinc/65/73/43/974657343.db2.gz VRFMJQVEKAMSEQ-HNNXBMFYSA-N 1 0 421.998 3.722 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000426957624 974778305 /nfs/dbraw/zinc/77/83/05/974778305.db2.gz UHNHNVPBNGSYFN-DNQXCXABSA-N 1 0 420.557 3.769 20 30 HHEDRO CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000428337974 975648515 /nfs/dbraw/zinc/64/85/15/975648515.db2.gz WPEVTGUULGDQQM-LEWJYISDSA-N 1 0 400.592 3.840 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000428484578 975785021 /nfs/dbraw/zinc/78/50/21/975785021.db2.gz PERNDONMXDYOIO-SFHVURJKSA-N 1 0 417.431 3.638 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)cc(OC)c1O ZINC000428529704 975822371 /nfs/dbraw/zinc/82/23/71/975822371.db2.gz BMIJFHQCJKHNQD-KRWDZBQOSA-N 1 0 420.347 3.833 20 30 HHEDRO CCOc1nc(C(F)(F)F)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000428705086 975996386 /nfs/dbraw/zinc/99/63/86/975996386.db2.gz ARUMHNRHAPOZBD-UHFFFAOYSA-N 1 0 420.435 3.575 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428995654 976276402 /nfs/dbraw/zinc/27/64/02/976276402.db2.gz CTOSQEVECSNMJL-YZLZLFLDSA-N 1 0 414.619 3.878 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429004968 976284984 /nfs/dbraw/zinc/28/49/84/976284984.db2.gz LUECHHJWJJKSHE-RMJJICAUSA-N 1 0 400.592 3.681 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429005388 976286519 /nfs/dbraw/zinc/28/65/19/976286519.db2.gz GFPDXZVVWTVNEH-DEOSSOPVSA-N 1 0 407.558 3.718 20 30 HHEDRO N#Cc1ccc(CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CC2)cc1 ZINC000429036069 976319216 /nfs/dbraw/zinc/31/92/16/976319216.db2.gz QMJDTUDGQYZDHU-DEOSSOPVSA-N 1 0 418.541 3.523 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)c2)cc1 ZINC000429072150 976356596 /nfs/dbraw/zinc/35/65/96/976356596.db2.gz UUVRCWHKGRAQSN-LJQANCHMSA-N 1 0 406.486 3.537 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 ZINC000429192808 976483466 /nfs/dbraw/zinc/48/34/66/976483466.db2.gz SBCXRQVCPBASQH-XOBRGWDASA-N 1 0 422.472 3.527 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429386035 976658891 /nfs/dbraw/zinc/65/88/91/976658891.db2.gz ORTHGJCWMSDOAY-QZTJIDSGSA-N 1 0 400.592 3.683 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429386037 976659319 /nfs/dbraw/zinc/65/93/19/976659319.db2.gz ORTHGJCWMSDOAY-ZWKOTPCHSA-N 1 0 400.592 3.683 20 30 HHEDRO C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+](C2CCC2)C1 ZINC000429393375 976666856 /nfs/dbraw/zinc/66/68/56/976666856.db2.gz KBBKJIDAYLCDMX-MRXNPFEDSA-N 1 0 400.592 3.633 20 30 HHEDRO N#CCCn1ncc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1-c1ccccc1 ZINC000429636816 976927574 /nfs/dbraw/zinc/92/75/74/976927574.db2.gz ABTXYSRCEGWJNN-UHFFFAOYSA-N 1 0 405.546 3.848 20 30 HHEDRO N#CCCn1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1ccccc1 ZINC000429722594 977013635 /nfs/dbraw/zinc/01/36/35/977013635.db2.gz STQRLOHRKOTJRQ-JOCHJYFZSA-N 1 0 413.525 3.858 20 30 HHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000430107995 977322570 /nfs/dbraw/zinc/32/25/70/977322570.db2.gz SWHYVEQICRQHLN-RUZDIDTESA-N 1 0 414.509 3.780 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)nc1 ZINC000430165940 977361589 /nfs/dbraw/zinc/36/15/89/977361589.db2.gz DDJSKCMWGRMEMD-GOSISDBHSA-N 1 0 412.287 3.645 20 30 HHEDRO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430170639 977366270 /nfs/dbraw/zinc/36/62/70/977366270.db2.gz QWYYXGRYBWLSSX-QFIPXVFZSA-N 1 0 416.481 3.589 20 30 HHEDRO CN(C(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1)c1ccccc1 ZINC000430306697 977465797 /nfs/dbraw/zinc/46/57/97/977465797.db2.gz RACMWUANYFAJKG-KRWDZBQOSA-N 1 0 410.905 3.525 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000430348338 977493763 /nfs/dbraw/zinc/49/37/63/977493763.db2.gz SELFLVVTIWXOAV-NRFANRHFSA-N 1 0 418.541 3.535 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430642651 977664595 /nfs/dbraw/zinc/66/45/95/977664595.db2.gz VSXRRHSLNNLNNK-SIKLNZKXSA-N 1 0 421.541 3.895 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000430664976 977676075 /nfs/dbraw/zinc/67/60/75/977676075.db2.gz JSDZBBTWLRMEOL-KNQAVFIVSA-N 1 0 408.542 3.972 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C[C@H](C)O1 ZINC000430693125 977698740 /nfs/dbraw/zinc/69/87/40/977698740.db2.gz ZMSBGRSHOXFJFS-HDICACEKSA-N 1 0 401.576 3.654 20 30 HHEDRO COc1ccccc1-n1nccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000430725676 977713066 /nfs/dbraw/zinc/71/30/66/977713066.db2.gz RNVRJXILJNIRMF-UHFFFAOYSA-N 1 0 415.497 3.603 20 30 HHEDRO N#CCCn1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c(-c2ccncc2)n1 ZINC000430878462 977844371 /nfs/dbraw/zinc/84/43/71/977844371.db2.gz IPYZTLDEDYCAMX-UHFFFAOYSA-N 1 0 423.524 3.894 20 30 HHEDRO C=CCN1C(=O)N(C[C@H](c2ccccc2)[NH+]2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430949317 977908548 /nfs/dbraw/zinc/90/85/48/977908548.db2.gz CCOIEPRHZIQKKN-DHIUTWEWSA-N 1 0 403.526 3.885 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H](c2ccco2)[NH+]2CCCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430981375 977927134 /nfs/dbraw/zinc/92/71/34/977927134.db2.gz WQDWNCVLNULLSH-SFTDATJTSA-N 1 0 407.514 3.868 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H](c2ccco2)[NH+]2CCCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430981374 977927296 /nfs/dbraw/zinc/92/72/96/977927296.db2.gz WQDWNCVLNULLSH-RTWAWAEBSA-N 1 0 407.514 3.868 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000431073903 978004860 /nfs/dbraw/zinc/00/48/60/978004860.db2.gz NQYVCRPMUQLZKA-UHFFFAOYSA-N 1 0 417.985 3.872 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000431145948 978048216 /nfs/dbraw/zinc/04/82/16/978048216.db2.gz JVYPJGAPKQXIEL-SFHVURJKSA-N 1 0 405.608 3.878 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000431145947 978048499 /nfs/dbraw/zinc/04/84/99/978048499.db2.gz JVYPJGAPKQXIEL-GOSISDBHSA-N 1 0 405.608 3.878 20 30 HHEDRO N#CCCC[C@@H](NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000431812604 978532180 /nfs/dbraw/zinc/53/21/80/978532180.db2.gz ODGDZLDOLUWGOL-XMMPIXPASA-N 1 0 419.573 3.539 20 30 HHEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000431906857 978591429 /nfs/dbraw/zinc/59/14/29/978591429.db2.gz JLTUMSHXINRSNW-CRAIPNDOSA-N 1 0 403.935 3.543 20 30 HHEDRO C=CCN1C(=O)N([C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431956110 978617888 /nfs/dbraw/zinc/61/78/88/978617888.db2.gz BGIYKXQPNPUVAB-AGILITTLSA-N 1 0 417.553 3.959 20 30 HHEDRO COc1ccc([C@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)[NH+]2CCCCC2)cc1 ZINC000432079043 978671220 /nfs/dbraw/zinc/67/12/20/978671220.db2.gz QXYYCEFIVHONFQ-QHCPKHFHSA-N 1 0 406.530 3.590 20 30 HHEDRO N#Cc1cnc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000432492295 978846363 /nfs/dbraw/zinc/84/63/63/978846363.db2.gz UVYUGSLFBKNPTE-UHFFFAOYSA-N 1 0 403.313 3.902 20 30 HHEDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433010066 979040960 /nfs/dbraw/zinc/04/09/60/979040960.db2.gz JOIPDXDHUJEQSJ-FQEVSTJZSA-N 1 0 412.921 3.728 20 30 HHEDRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH2+][C@@H](CCCC#N)c3ccccc3)CC2)C1 ZINC000433016810 979042995 /nfs/dbraw/zinc/04/29/95/979042995.db2.gz UTLXIVKVZYLVCJ-REWPJTCUSA-N 1 0 424.589 3.508 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c(-c2ccncc2)n1 ZINC000433311555 979229594 /nfs/dbraw/zinc/22/95/94/979229594.db2.gz HYHWPBCBFUDSSI-UHFFFAOYSA-N 1 0 415.476 3.516 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c(-c2ccncc2)n1 ZINC000433339117 979248452 /nfs/dbraw/zinc/24/84/52/979248452.db2.gz JVRVYWMVSUTUNJ-UHFFFAOYSA-N 1 0 402.502 3.865 20 30 HHEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3cccc(Br)c3)CCCC2)C(N)=O)cc1 ZINC000433451865 979312649 /nfs/dbraw/zinc/31/26/49/979312649.db2.gz DOIYMIOOLHCJJQ-IBGZPJMESA-N 1 0 412.331 3.949 20 30 HHEDRO CC(C)Oc1ccc(Br)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000434132368 979889279 /nfs/dbraw/zinc/88/92/79/979889279.db2.gz NCUMLGDUFBHEGS-UHFFFAOYSA-N 1 0 411.344 3.936 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(c2ccccc2)C1 ZINC000434504941 980217294 /nfs/dbraw/zinc/21/72/94/980217294.db2.gz XAHZHEVPUUJXHA-HSZRJFAPSA-N 1 0 419.573 3.548 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)C(C)C ZINC000434726373 980360857 /nfs/dbraw/zinc/36/08/57/980360857.db2.gz AYLOVDAKCKJGLA-GOSISDBHSA-N 1 0 418.607 3.555 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000434985691 980551056 /nfs/dbraw/zinc/55/10/56/980551056.db2.gz JZIFNOSGGDQSHN-UHFFFAOYSA-N 1 0 419.504 3.567 20 30 HHEDRO CCOC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 ZINC000434992815 980554838 /nfs/dbraw/zinc/55/48/38/980554838.db2.gz VAYAYSQHBIZLMI-UHFFFAOYSA-N 1 0 403.548 3.635 20 30 HHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000435003032 980562608 /nfs/dbraw/zinc/56/26/08/980562608.db2.gz BIBLNZNRKUGKJI-CTNGQTDRSA-N 1 0 423.536 3.602 20 30 HHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000435025383 980580494 /nfs/dbraw/zinc/58/04/94/980580494.db2.gz ISRWIXVUWYDVHI-ZCYQVOJMSA-N 1 0 403.526 3.760 20 30 HHEDRO CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435126156 980657239 /nfs/dbraw/zinc/65/72/39/980657239.db2.gz JOUVWPQAORAJPP-XMMPIXPASA-N 1 0 414.557 3.955 20 30 HHEDRO CC[NH+]1CCN(c2ccccc2NCc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435130847 980662415 /nfs/dbraw/zinc/66/24/15/980662415.db2.gz VUZYWFSPLWIILU-UHFFFAOYSA-N 1 0 415.545 3.613 20 30 HHEDRO CCCCCC(=O)NC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435135388 980666609 /nfs/dbraw/zinc/66/66/09/980666609.db2.gz PCGICAYZAUAFFL-UHFFFAOYSA-N 1 0 408.550 3.520 20 30 HHEDRO N#CCCn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(-c2ccncc2)n1 ZINC000435137672 980668959 /nfs/dbraw/zinc/66/89/59/980668959.db2.gz NPFYXTBDLWOWFR-UHFFFAOYSA-N 1 0 402.458 3.932 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N ZINC000435539016 980929063 /nfs/dbraw/zinc/92/90/63/980929063.db2.gz CGYRTUWTLNOBMP-QZTJIDSGSA-N 1 0 414.550 3.699 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000435680785 980984835 /nfs/dbraw/zinc/98/48/35/980984835.db2.gz HYLZWYCFSXIZRM-UHFFFAOYSA-N 1 0 421.451 3.535 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)CC(F)(F)F)C1 ZINC000435819419 981045012 /nfs/dbraw/zinc/04/50/12/981045012.db2.gz QODFIHZHGWVZMD-UHFFFAOYSA-N 1 0 406.452 3.712 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436293346 981286584 /nfs/dbraw/zinc/28/65/84/981286584.db2.gz CVYJJLNULATJRC-COPCDDAFSA-N 1 0 403.519 3.889 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000448328166 981702071 /nfs/dbraw/zinc/70/20/71/981702071.db2.gz PEDSNUMVRKIMJT-OAQYLSRUSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000437105316 981763494 /nfs/dbraw/zinc/76/34/94/981763494.db2.gz ITFKHWIKZOXTJP-RFRZSCIPSA-N 1 0 420.557 3.695 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448463937 981798045 /nfs/dbraw/zinc/79/80/45/981798045.db2.gz DXXFUXXBOMAXAI-XLIONFOSSA-N 1 0 405.464 3.715 20 30 HHEDRO CCn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460217484 981993237 /nfs/dbraw/zinc/99/32/37/981993237.db2.gz AHLIFFRYKFNSBP-UHFFFAOYSA-N 1 0 418.520 3.612 20 30 HHEDRO C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460376230 982153874 /nfs/dbraw/zinc/15/38/74/982153874.db2.gz OCDAIVBUSSMWAD-CTNGQTDRSA-N 1 0 422.577 3.786 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460382247 982160841 /nfs/dbraw/zinc/16/08/41/982160841.db2.gz UNNISVXUHBZFEW-ZWKOTPCHSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460389666 982169137 /nfs/dbraw/zinc/16/91/37/982169137.db2.gz VAUCBAWQCOUIRA-NRFANRHFSA-N 1 0 411.550 3.677 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)C[C@@H](C)O1 ZINC000437650909 982269819 /nfs/dbraw/zinc/26/98/19/982269819.db2.gz CBUVPOKBJVRQBO-IAGOWNOFSA-N 1 0 407.505 3.871 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000437744519 982332804 /nfs/dbraw/zinc/33/28/04/982332804.db2.gz DIQVJVXPFIABSL-NQIIRXRSSA-N 1 0 405.970 3.832 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460574413 982358248 /nfs/dbraw/zinc/35/82/48/982358248.db2.gz NAIPSBGCSLHTMS-DENIHFKCSA-N 1 0 419.577 3.873 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)[C@@H](C)C1 ZINC000460631927 982409209 /nfs/dbraw/zinc/40/92/09/982409209.db2.gz UFXUSQKUMRLDNE-GHTZIAJQSA-N 1 0 410.566 3.551 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460782527 982535067 /nfs/dbraw/zinc/53/50/67/982535067.db2.gz JHQZEMVNJSSZCW-IEBWSBKVSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460794904 982547792 /nfs/dbraw/zinc/54/77/92/982547792.db2.gz PQTKLMOUJJTCFH-UHFFFAOYSA-N 1 0 404.356 3.816 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000438059288 982560714 /nfs/dbraw/zinc/56/07/14/982560714.db2.gz TVQQTJNGKUFOGR-QGZVFWFLSA-N 1 0 403.596 3.571 20 30 HHEDRO C[NH+](C)C1(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)Cc2ccccc2C1 ZINC000438070238 982569740 /nfs/dbraw/zinc/56/97/40/982569740.db2.gz WMSXUDPPSSAORG-UHFFFAOYSA-N 1 0 410.521 3.702 20 30 HHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000438095324 982584829 /nfs/dbraw/zinc/58/48/29/982584829.db2.gz MQZVLLWGXUVULT-KRWDZBQOSA-N 1 0 400.404 3.859 20 30 HHEDRO C=CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000438096878 982585667 /nfs/dbraw/zinc/58/56/67/982585667.db2.gz MIVZBUSTXWRULH-GOSISDBHSA-N 1 0 417.492 3.795 20 30 HHEDRO C=C(C)[C@H](NC(=O)N(CCC)CCN1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000460880734 982620147 /nfs/dbraw/zinc/62/01/47/982620147.db2.gz KQCYNXIRAVOMEW-NRFANRHFSA-N 1 0 408.537 3.641 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460936689 982674692 /nfs/dbraw/zinc/67/46/92/982674692.db2.gz MLGIWIIGPSBQDQ-HOCLYGCPSA-N 1 0 419.371 3.675 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)C(C)C ZINC000460993017 982713060 /nfs/dbraw/zinc/71/30/60/982713060.db2.gz YRUMJIITDVDZKZ-RCZVLFRGSA-N 1 0 411.590 3.744 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1)C(C)C ZINC000460993019 982713105 /nfs/dbraw/zinc/71/31/05/982713105.db2.gz YRUMJIITDVDZKZ-RDGATRHJSA-N 1 0 411.590 3.744 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccccc2)cc1OC ZINC000438355773 982742453 /nfs/dbraw/zinc/74/24/53/982742453.db2.gz STEQEFINETVBFA-KRWDZBQOSA-N 1 0 406.320 3.716 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000438445595 982797116 /nfs/dbraw/zinc/79/71/16/982797116.db2.gz QFYBQSOBFAIFMT-PKOBYXMFSA-N 1 0 413.484 3.760 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1 ZINC000461110453 982799428 /nfs/dbraw/zinc/79/94/28/982799428.db2.gz VZABNOYMOFGJPW-UHFFFAOYSA-N 1 0 407.301 3.956 20 30 HHEDRO N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000438604720 982932589 /nfs/dbraw/zinc/93/25/89/982932589.db2.gz DXMAFRIKJHQEQY-UHFFFAOYSA-N 1 0 413.481 3.634 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000461227261 982937098 /nfs/dbraw/zinc/93/70/98/982937098.db2.gz DGIMYYHKCMKZAL-UHFFFAOYSA-N 1 0 407.562 3.932 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438661517 982979225 /nfs/dbraw/zinc/97/92/25/982979225.db2.gz SIPBNLOLYSFKLU-APWZRJJASA-N 1 0 424.932 3.834 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438661055 982979267 /nfs/dbraw/zinc/97/92/67/982979267.db2.gz MOWUONHQNMXKCR-SFHVURJKSA-N 1 0 412.465 3.722 20 30 HHEDRO CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438661792 982979796 /nfs/dbraw/zinc/97/97/96/982979796.db2.gz AQRIZXGVRNWLII-LPHOPBHVSA-N 1 0 424.932 3.834 20 30 HHEDRO COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438674398 982992588 /nfs/dbraw/zinc/99/25/88/982992588.db2.gz XEJWIKMFEKBGGM-UHFFFAOYSA-N 1 0 400.454 3.532 20 30 HHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000461300861 983001367 /nfs/dbraw/zinc/00/13/67/983001367.db2.gz YWFCXCPDNVIOJY-LJQANCHMSA-N 1 0 404.543 3.599 20 30 HHEDRO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000461435070 983098123 /nfs/dbraw/zinc/09/81/23/983098123.db2.gz GXZSBBYTZFPPLQ-FCHUYYIVSA-N 1 0 406.526 3.854 20 30 HHEDRO N#Cc1ccc(CSCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461441997 983106667 /nfs/dbraw/zinc/10/66/67/983106667.db2.gz CXUSPUYUUWVLFS-XZOQPEGZSA-N 1 0 405.567 3.772 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458769 983125746 /nfs/dbraw/zinc/12/57/46/983125746.db2.gz UYCVUKLOYIVVTJ-FGZHOGPDSA-N 1 0 403.526 3.696 20 30 HHEDRO COc1ccc([C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+](C)C)cc1OC ZINC000438862828 983128547 /nfs/dbraw/zinc/12/85/47/983128547.db2.gz XPBFAAJXIJMDQH-PMACEKPBSA-N 1 0 410.518 3.651 20 30 HHEDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000438988155 983196522 /nfs/dbraw/zinc/19/65/22/983196522.db2.gz QYSFNNIRUIFSDX-DNVCBOLYSA-N 1 0 410.493 3.984 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000439029282 983218903 /nfs/dbraw/zinc/21/89/03/983218903.db2.gz PIPLNHYOCAPFLF-UHFFFAOYSA-N 1 0 417.431 3.734 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000439055277 983230468 /nfs/dbraw/zinc/23/04/68/983230468.db2.gz CYYQCYXUHZWQMI-UHFFFAOYSA-N 1 0 405.420 3.590 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000439077254 983239757 /nfs/dbraw/zinc/23/97/57/983239757.db2.gz IGZDOAAJPNLWNU-UHFFFAOYSA-N 1 0 405.420 3.590 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)c1 ZINC000439317878 983362531 /nfs/dbraw/zinc/36/25/31/983362531.db2.gz GKDKRKKFKBAWKE-UHFFFAOYSA-N 1 0 412.331 3.817 20 30 HHEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1 ZINC000439565937 983452812 /nfs/dbraw/zinc/45/28/12/983452812.db2.gz FHFNXHRMXDXEJP-GOSISDBHSA-N 1 0 409.530 3.906 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000439635284 983478940 /nfs/dbraw/zinc/47/89/40/983478940.db2.gz QVGWKNOCXMDJAH-UHFFFAOYSA-N 1 0 421.541 3.703 20 30 HHEDRO CCCc1c(NC(=O)N2CC[NH+](C3CCCC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439667547 983492362 /nfs/dbraw/zinc/49/23/62/983492362.db2.gz KWGCGKNYNQULHG-UHFFFAOYSA-N 1 0 406.534 3.789 20 30 HHEDRO CCCc1c(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439678359 983497623 /nfs/dbraw/zinc/49/76/23/983497623.db2.gz OALQWHPPJLMGIM-ROUUACIJSA-N 1 0 408.550 3.938 20 30 HHEDRO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706650 983510190 /nfs/dbraw/zinc/51/01/90/983510190.db2.gz WGKYAAGASCANNE-LAUBAEHRSA-N 1 0 408.550 3.890 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000440048987 983625066 /nfs/dbraw/zinc/62/50/66/983625066.db2.gz WDHSWJZWXHOBKC-KNQAVFIVSA-N 1 0 421.541 3.701 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000440492488 983775693 /nfs/dbraw/zinc/77/56/93/983775693.db2.gz UFUACQAOGLFWGD-NRFANRHFSA-N 1 0 424.589 3.663 20 30 HHEDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000440608842 983815133 /nfs/dbraw/zinc/81/51/33/983815133.db2.gz GESVWBFFNRRDAC-FUHWJXTLSA-N 1 0 414.600 3.530 20 30 HHEDRO COc1cc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)ccc1C#N ZINC000440806733 983914718 /nfs/dbraw/zinc/91/47/18/983914718.db2.gz MAYPWXGRDILMMI-MRXNPFEDSA-N 1 0 400.320 3.945 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c1C#N ZINC000440942874 983991478 /nfs/dbraw/zinc/99/14/78/983991478.db2.gz OYLUCUFREJFAJI-NHCUHLMSSA-N 1 0 424.545 3.978 20 30 HHEDRO N#Cc1cccc([C@@H]2CN(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CCO2)c1 ZINC000441019023 984024990 /nfs/dbraw/zinc/02/49/90/984024990.db2.gz IDJXQCJOIAVCJH-QFIPXVFZSA-N 1 0 410.562 3.687 20 30 HHEDRO COc1cccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]2CCCO2)c1 ZINC000441235283 984130436 /nfs/dbraw/zinc/13/04/36/984130436.db2.gz SBMUXXGBFOSEAQ-OAQYLSRUSA-N 1 0 404.470 3.798 20 30 HHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000441238109 984132067 /nfs/dbraw/zinc/13/20/67/984132067.db2.gz XYLZOOCTECPZCZ-UNMCSNQZSA-N 1 0 406.530 3.713 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000441394122 984228008 /nfs/dbraw/zinc/22/80/08/984228008.db2.gz NYGBVQKOWSUIPX-XXBNENTESA-N 1 0 423.605 3.979 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000441405304 984234876 /nfs/dbraw/zinc/23/48/76/984234876.db2.gz AEPHUOVGEDCDOD-QZTJIDSGSA-N 1 0 416.591 3.648 20 30 HHEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000441591765 984343219 /nfs/dbraw/zinc/34/32/19/984343219.db2.gz SAKHLNCODGQIPN-GOSISDBHSA-N 1 0 424.467 3.532 20 30 HHEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000441787395 984453296 /nfs/dbraw/zinc/45/32/96/984453296.db2.gz JJXUIKVVKYZKGS-UHFFFAOYSA-N 1 0 420.513 3.526 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000441856393 984502830 /nfs/dbraw/zinc/50/28/30/984502830.db2.gz CIBRGESDUGNRHI-UHFFFAOYSA-N 1 0 409.530 3.504 20 30 HHEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1)C1CC1 ZINC000442067757 984620779 /nfs/dbraw/zinc/62/07/79/984620779.db2.gz CLVNSGRBVQAPFO-UHFFFAOYSA-N 1 0 404.514 3.702 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000442227771 984746750 /nfs/dbraw/zinc/74/67/50/984746750.db2.gz GMGSBSFMCOGMMQ-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(O[C@H](C)c3ccccc3)cc2C)CC1 ZINC000442282957 984789514 /nfs/dbraw/zinc/78/95/14/984789514.db2.gz DQDRVSXPBIVUPO-LJQANCHMSA-N 1 0 421.541 3.840 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)CC1 ZINC000442302005 984799167 /nfs/dbraw/zinc/79/91/67/984799167.db2.gz UYCGHHVMNNPQEV-SFHVURJKSA-N 1 0 407.514 3.532 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000462061622 985035325 /nfs/dbraw/zinc/03/53/25/985035325.db2.gz QQQNIBRRRJRXPT-UHFFFAOYSA-N 1 0 403.979 3.977 20 30 HHEDRO C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000462129643 985100584 /nfs/dbraw/zinc/10/05/84/985100584.db2.gz KZWQXSKDUUMHPF-QGZVFWFLSA-N 1 0 411.933 3.975 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000462177816 985157310 /nfs/dbraw/zinc/15/73/10/985157310.db2.gz BBVOCPRBAAGFKI-JPYJTQIMSA-N 1 0 415.493 3.981 20 30 HHEDRO COc1cc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)ccc1C#N ZINC000442890614 985262955 /nfs/dbraw/zinc/26/29/55/985262955.db2.gz PGAKNVFPDDSWFV-UHFFFAOYSA-N 1 0 403.526 3.970 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000443008463 985333630 /nfs/dbraw/zinc/33/36/30/985333630.db2.gz TZDIMIFYGXDGLI-JKIFEVAISA-N 1 0 415.481 3.603 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443043772 985350148 /nfs/dbraw/zinc/35/01/48/985350148.db2.gz GEHUVZVJWZDFLB-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443368458 985529037 /nfs/dbraw/zinc/52/90/37/985529037.db2.gz JCKJDHJSCCKLPM-RDJZCZTQSA-N 1 0 403.935 3.543 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CC1 ZINC000468083634 985741007 /nfs/dbraw/zinc/74/10/07/985741007.db2.gz ZBKQNUTWAAXXCT-SFHVURJKSA-N 1 0 410.587 3.865 20 30 HHEDRO N#CCCn1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000463024396 985984043 /nfs/dbraw/zinc/98/40/43/985984043.db2.gz KYWFZOPEABLDRZ-VWLOTQADSA-N 1 0 415.541 3.676 20 30 HHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)cc2)cc1 ZINC000443812103 986008521 /nfs/dbraw/zinc/00/85/21/986008521.db2.gz XZJSTSPNFRQSNK-DEOSSOPVSA-N 1 0 419.525 3.872 20 30 HHEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000463121663 986086073 /nfs/dbraw/zinc/08/60/73/986086073.db2.gz DZLUALBMKFVFHG-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO Cc1cc(C[NH2+]Cc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)ccc1C#N ZINC000443966502 986173206 /nfs/dbraw/zinc/17/32/06/986173206.db2.gz YINYMSFNIATESX-UHFFFAOYSA-N 1 0 423.513 3.774 20 30 HHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1 ZINC000463214345 986186404 /nfs/dbraw/zinc/18/64/04/986186404.db2.gz PKUFGKRJOVQGSO-PWRODBHTSA-N 1 0 403.954 3.992 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)Cc2ccccn2)C1 ZINC000444180379 986357713 /nfs/dbraw/zinc/35/77/13/986357713.db2.gz GJPJVMBDLDCRGV-UHFFFAOYSA-N 1 0 415.541 3.745 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196499 986375067 /nfs/dbraw/zinc/37/50/67/986375067.db2.gz QBMWPMMSZOVNER-ZWKOTPCHSA-N 1 0 414.619 3.881 20 30 HHEDRO COc1ccc(CN2CCCN(Cc3cccc(OCCCC#N)c3)CC2=O)cc1 ZINC000468672256 986380788 /nfs/dbraw/zinc/38/07/88/986380788.db2.gz APMROBCISHKHJS-UHFFFAOYSA-N 1 0 407.514 3.612 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1C#N ZINC000444202440 986381098 /nfs/dbraw/zinc/38/10/98/986381098.db2.gz WTHXFLTVEXMAQR-OAQYLSRUSA-N 1 0 419.573 3.712 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444209096 986390856 /nfs/dbraw/zinc/39/08/56/986390856.db2.gz ZLYZQUSXMQEEAI-RBUKOAKNSA-N 1 0 400.592 3.685 20 30 HHEDRO COc1ccc(-c2ncc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)s2)cc1 ZINC000463490306 986465506 /nfs/dbraw/zinc/46/55/06/986465506.db2.gz LVRXNCZBTYKZNF-UHFFFAOYSA-N 1 0 420.538 3.894 20 30 HHEDRO C[C@@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C1([NH+]2CCOCC2)CCCC1 ZINC000444291481 986478662 /nfs/dbraw/zinc/47/86/62/986478662.db2.gz QOVKXXKYMUSMLX-LJQANCHMSA-N 1 0 408.546 3.708 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)NC1(C#N)CCC1 ZINC000468829101 986538473 /nfs/dbraw/zinc/53/84/73/986538473.db2.gz DHPCHXVNPZEHPD-DLBZAZTESA-N 1 0 422.504 3.608 20 30 HHEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000469088976 986801639 /nfs/dbraw/zinc/80/16/39/986801639.db2.gz UCQZQOKRBJIFME-LJQANCHMSA-N 1 0 422.598 3.713 20 30 HHEDRO CNC(=O)CCOC1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444643791 986829043 /nfs/dbraw/zinc/82/90/43/986829043.db2.gz UJGHGFNYLSOFHD-UHFFFAOYSA-N 1 0 405.542 3.503 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000444648977 986832695 /nfs/dbraw/zinc/83/26/95/986832695.db2.gz ZJKNABQYFYXQBV-LJQANCHMSA-N 1 0 412.534 3.882 20 30 HHEDRO N#CC(CC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444648354 986833031 /nfs/dbraw/zinc/83/30/31/986833031.db2.gz JIIXPRKXXACOMX-HSZRJFAPSA-N 1 0 403.570 3.931 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000444828223 986984457 /nfs/dbraw/zinc/98/44/57/986984457.db2.gz RMGLBUXOHQCNRY-SFHVURJKSA-N 1 0 422.529 3.968 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)C2)n1 ZINC000469352040 987054642 /nfs/dbraw/zinc/05/46/42/987054642.db2.gz WLSKKNXJZXBUMW-GHTZIAJQSA-N 1 0 419.529 3.502 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000469584281 987249895 /nfs/dbraw/zinc/24/98/95/987249895.db2.gz FBNXCIBCKFWGQQ-QGZVFWFLSA-N 1 0 411.525 3.811 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000469736326 987386585 /nfs/dbraw/zinc/38/65/85/987386585.db2.gz WHWGKRRCBTXTEA-QZTJIDSGSA-N 1 0 413.566 3.713 20 30 HHEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000469772690 987423627 /nfs/dbraw/zinc/42/36/27/987423627.db2.gz PBGMBVOPKMOSJB-MOPGFXCFSA-N 1 0 406.596 3.606 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000445801455 987862397 /nfs/dbraw/zinc/86/23/97/987862397.db2.gz GCFKJWGRNZFVHH-UHFFFAOYSA-N 1 0 404.539 3.810 20 30 HHEDRO COC(=O)[C@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000470135215 988040390 /nfs/dbraw/zinc/04/03/90/988040390.db2.gz SKYCILMTXZCLGY-XMMPIXPASA-N 1 0 402.498 3.684 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC000470165147 988078522 /nfs/dbraw/zinc/07/85/22/988078522.db2.gz FJEHPCGBCSESOY-OAQYLSRUSA-N 1 0 405.546 3.827 20 30 HHEDRO CCOC(=O)c1sc2ncnc(N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1C ZINC000470521192 988520235 /nfs/dbraw/zinc/52/02/35/988520235.db2.gz VGNWYEBXJAKXDZ-UHFFFAOYSA-N 1 0 423.542 3.616 20 30 HHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470538993 988545201 /nfs/dbraw/zinc/54/52/01/988545201.db2.gz XVZYFDPWRITNSP-GOSISDBHSA-N 1 0 411.550 3.656 20 30 HHEDRO C[N@H+](CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCCC1 ZINC000470539787 988546235 /nfs/dbraw/zinc/54/62/35/988546235.db2.gz MVPUQWPGWHPAEB-UHFFFAOYSA-N 1 0 411.550 3.656 20 30 HHEDRO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+]1CCCCC1 ZINC000470541640 988548398 /nfs/dbraw/zinc/54/83/98/988548398.db2.gz BYGLYDULZYYHIN-SFHVURJKSA-N 1 0 411.550 3.656 20 30 HHEDRO CC(C)[NH+](CCCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)C ZINC000470549907 988560416 /nfs/dbraw/zinc/56/04/16/988560416.db2.gz RISBOTLKQOQPRG-UHFFFAOYSA-N 1 0 413.566 3.900 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470555392 988569715 /nfs/dbraw/zinc/56/97/15/988569715.db2.gz HSSBOWWGYPOISY-JOCHJYFZSA-N 1 0 419.529 3.694 20 30 HHEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000470624054 988638806 /nfs/dbraw/zinc/63/88/06/988638806.db2.gz IITHKOKRINWMON-UHFFFAOYSA-N 1 0 418.592 3.898 20 30 HHEDRO C=CCOCCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000470720628 988746017 /nfs/dbraw/zinc/74/60/17/988746017.db2.gz XHXAEBBTVCITOR-UHFFFAOYSA-N 1 0 419.875 3.508 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000470728671 988758129 /nfs/dbraw/zinc/75/81/29/988758129.db2.gz WZPBXWVYYXIRLV-LADGPHEKSA-N 1 0 416.525 3.593 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464613327 988793333 /nfs/dbraw/zinc/79/33/33/988793333.db2.gz XUMSMNVHJJJVFA-FUHWJXTLSA-N 1 0 411.550 3.941 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)c1 ZINC000470780997 988833446 /nfs/dbraw/zinc/83/34/46/988833446.db2.gz WLOQGBPKGXGPMZ-VWLOTQADSA-N 1 0 413.521 3.966 20 30 HHEDRO Cn1nc(C(F)F)c2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)sc21 ZINC000470941958 989009278 /nfs/dbraw/zinc/00/92/78/989009278.db2.gz ZVSZDUZOXAOXQU-UHFFFAOYSA-N 1 0 417.485 3.648 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470967325 989031777 /nfs/dbraw/zinc/03/17/77/989031777.db2.gz KHPHTGPIRHIZQC-ZEQRLZLVSA-N 1 0 400.526 3.611 20 30 HHEDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1(C)C ZINC000464810179 989044092 /nfs/dbraw/zinc/04/40/92/989044092.db2.gz DPRPWOCVCUJDNA-AUSIDOKSSA-N 1 0 412.534 3.692 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000470993552 989059097 /nfs/dbraw/zinc/05/90/97/989059097.db2.gz OADVQBSAHCFGKO-AHWVRZQESA-N 1 0 412.537 3.755 20 30 HHEDRO Cc1ccc([C@@H]2CC[N@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012619 989081889 /nfs/dbraw/zinc/08/18/89/989081889.db2.gz RJEISHRDROYLMO-IFMALSPDSA-N 1 0 422.598 3.563 20 30 HHEDRO C[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000464842548 989089221 /nfs/dbraw/zinc/08/92/21/989089221.db2.gz IUMLNZCUXLUOSW-LJQANCHMSA-N 1 0 408.571 3.837 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464849595 989101639 /nfs/dbraw/zinc/10/16/39/989101639.db2.gz NZBSDEWREMMROC-MJGOQNOKSA-N 1 0 422.598 3.889 20 30 HHEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000464871807 989131619 /nfs/dbraw/zinc/13/16/19/989131619.db2.gz DPSQLUROBWHSTG-WMZHIEFXSA-N 1 0 407.514 3.690 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000471057273 989139774 /nfs/dbraw/zinc/13/97/74/989139774.db2.gz PKYATSZKGCCQIT-VEXUSMLFSA-N 1 0 400.526 3.657 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000471057271 989139816 /nfs/dbraw/zinc/13/98/16/989139816.db2.gz PKYATSZKGCCQIT-FOVJLYNBSA-N 1 0 400.526 3.657 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000471061071 989145467 /nfs/dbraw/zinc/14/54/67/989145467.db2.gz ZURDSGLAQVKXOJ-UHFFFAOYSA-N 1 0 416.525 3.654 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464989330 989295334 /nfs/dbraw/zinc/29/53/34/989295334.db2.gz UWOYBQKONXYXMZ-JOCHJYFZSA-N 1 0 421.541 3.706 20 30 HHEDRO C=CCc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000471384453 989564111 /nfs/dbraw/zinc/56/41/11/989564111.db2.gz HVOLHPWZZLLPGX-SZPZYZBQSA-N 1 0 406.526 3.636 20 30 HHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471664060 989868355 /nfs/dbraw/zinc/86/83/55/989868355.db2.gz LFHFVAIBDKWEAF-HSZRJFAPSA-N 1 0 419.573 3.636 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000471711089 989909196 /nfs/dbraw/zinc/90/91/96/989909196.db2.gz GCBIGQSZCUWHHN-XMMPIXPASA-N 1 0 400.526 3.789 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000465559074 989925129 /nfs/dbraw/zinc/92/51/29/989925129.db2.gz WWUVQCKUMRFEQM-PKTZIBPZSA-N 1 0 403.530 3.527 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000471743656 989939060 /nfs/dbraw/zinc/93/90/60/989939060.db2.gz HVKPBCAPNAKYTO-DVECYGJZSA-N 1 0 400.526 3.931 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000466107799 991285440 /nfs/dbraw/zinc/28/54/40/991285440.db2.gz OKJZAXIWSZHXIQ-DENIHFKCSA-N 1 0 406.530 3.632 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000466146028 991328895 /nfs/dbraw/zinc/32/88/95/991328895.db2.gz ZXPSWAZYUYEGCI-SFHVURJKSA-N 1 0 421.545 3.664 20 30 HHEDRO N#CCC1(C[NH2+]Cc2cc(I)c(Br)cc2F)CC1 ZINC000466362916 991633395 /nfs/dbraw/zinc/63/33/95/991633395.db2.gz SANJDTDZGXZLQA-UHFFFAOYSA-N 1 0 423.067 3.976 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466520966 991813481 /nfs/dbraw/zinc/81/34/81/991813481.db2.gz VJWRETUTPCBJQP-KNQAVFIVSA-N 1 0 418.541 3.774 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ncccc1OCCCC#N ZINC000466601226 991917201 /nfs/dbraw/zinc/91/72/01/991917201.db2.gz ZIANDRHZOZXUJO-HXUWFJFHSA-N 1 0 422.533 3.678 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000466602182 991917980 /nfs/dbraw/zinc/91/79/80/991917980.db2.gz VQGGQSOYSCBAFL-KRWDZBQOSA-N 1 0 413.547 3.859 20 30 HHEDRO N#Cc1cccc(CCNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000466608046 991924926 /nfs/dbraw/zinc/92/49/26/991924926.db2.gz HAMVEGUUUFOGEY-OAQYLSRUSA-N 1 0 401.432 3.672 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[NH+]1CCCC1 ZINC000466617785 991933591 /nfs/dbraw/zinc/93/35/91/991933591.db2.gz JKYHOOSEAWFXCU-IBGZPJMESA-N 1 0 423.517 3.731 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000466621671 991937945 /nfs/dbraw/zinc/93/79/45/991937945.db2.gz SUACFQYTYINCOA-RTBURBONSA-N 1 0 407.518 3.891 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)CC[C@H]2CCCO2)c1C#N ZINC000467148743 992464992 /nfs/dbraw/zinc/46/49/92/992464992.db2.gz REUQWPSWRRTDHZ-HXUWFJFHSA-N 1 0 412.509 3.603 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C#N ZINC000467208441 992533018 /nfs/dbraw/zinc/53/30/18/992533018.db2.gz SJCPWXHNHZINTC-UXHICEINSA-N 1 0 423.561 3.504 20 30 HHEDRO COC[C@@H]1CCCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000467280622 992603386 /nfs/dbraw/zinc/60/33/86/992603386.db2.gz RITPKLTZLMNGBF-LJQANCHMSA-N 1 0 412.534 3.695 20 30 HHEDRO C=CCC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000467293890 992618561 /nfs/dbraw/zinc/61/85/61/992618561.db2.gz QJKZBHHGRVZLEO-GOSISDBHSA-N 1 0 413.543 3.951 20 30 HHEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000467361821 992680551 /nfs/dbraw/zinc/68/05/51/992680551.db2.gz JUYQCWWLHKSUMQ-QRWLVFNGSA-N 1 0 401.432 3.899 20 30 HHEDRO N#Cc1ccc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000467723143 992976204 /nfs/dbraw/zinc/97/62/04/992976204.db2.gz NPKPFQUEOFFQOX-UHFFFAOYSA-N 1 0 410.440 3.686 20 30 HHEDRO Cc1nn(C)c(N2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)c1C#N ZINC000472149860 993203980 /nfs/dbraw/zinc/20/39/80/993203980.db2.gz DAGBUYHLDWHBLK-HYXAFXHYSA-N 1 0 414.351 3.588 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472300417 993313642 /nfs/dbraw/zinc/31/36/42/993313642.db2.gz PZTUHAKBBHFLCH-GMKZXUHWSA-N 1 0 402.542 3.990 20 30 HHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000472302255 993315208 /nfs/dbraw/zinc/31/52/08/993315208.db2.gz PZWWKCJJHPKHRK-JOCHJYFZSA-N 1 0 400.526 3.879 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C#N)ccc3OC)CC[N@@H+]2C2CC2)c1 ZINC000472310596 993322349 /nfs/dbraw/zinc/32/23/49/993322349.db2.gz GQJTZQREUHCFSH-KNQAVFIVSA-N 1 0 406.486 3.675 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472611236 993560786 /nfs/dbraw/zinc/56/07/86/993560786.db2.gz KAVSHLBYXMOEER-HNNXBMFYSA-N 1 0 412.509 3.669 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000480779815 993647355 /nfs/dbraw/zinc/64/73/55/993647355.db2.gz LSKSKNKJAQLIHP-UHFFFAOYSA-N 1 0 415.534 3.549 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000480853926 993726043 /nfs/dbraw/zinc/72/60/43/993726043.db2.gz RKLNQSWLBFFBGB-UHFFFAOYSA-N 1 0 422.598 3.857 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000472820713 993756198 /nfs/dbraw/zinc/75/61/98/993756198.db2.gz ANZDHPUFPJMZGC-NRFANRHFSA-N 1 0 407.514 3.615 20 30 HHEDRO Cn1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000473069339 993989365 /nfs/dbraw/zinc/98/93/65/993989365.db2.gz ISTFGUFMFLAZOR-UHFFFAOYSA-N 1 0 404.489 3.667 20 30 HHEDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H](C)C1 ZINC000481169447 994000193 /nfs/dbraw/zinc/00/01/93/994000193.db2.gz CBQFORXYBGEDEX-WKRCXCSHSA-N 1 0 412.578 3.770 20 30 HHEDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC#Cc4cccc(Cl)c4)CC3)nc2c1 ZINC000481182383 994012419 /nfs/dbraw/zinc/01/24/19/994012419.db2.gz PMQFVOGBNWLCNV-UHFFFAOYSA-N 1 0 409.877 3.688 20 30 HHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000481189114 994021328 /nfs/dbraw/zinc/02/13/28/994021328.db2.gz JRNTYXNGUROMBB-OPYAIIAOSA-N 1 0 412.578 3.914 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000481466601 994301298 /nfs/dbraw/zinc/30/12/98/994301298.db2.gz NNEBKFBJMHJYJX-UHFFFAOYSA-N 1 0 403.526 3.765 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nccc2ccccc21 ZINC000481466744 994301435 /nfs/dbraw/zinc/30/14/35/994301435.db2.gz NOGCHHAIQBEVTH-UHFFFAOYSA-N 1 0 404.539 3.789 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000481547760 994379870 /nfs/dbraw/zinc/37/98/70/994379870.db2.gz XCTHNNHZRGFNQM-RXVVDRJESA-N 1 0 400.567 3.903 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473535590 994395665 /nfs/dbraw/zinc/39/56/65/994395665.db2.gz SUTRSWMXLMRFGE-AFMYVXGZSA-N 1 0 423.479 3.883 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000481664995 994525606 /nfs/dbraw/zinc/52/56/06/994525606.db2.gz ZGIPECHDLJQEFT-QHCPKHFHSA-N 1 0 409.555 3.900 20 30 HHEDRO CCOC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000481706485 994568233 /nfs/dbraw/zinc/56/82/33/994568233.db2.gz NPAUVGPARBPNEU-OAQYLSRUSA-N 1 0 405.564 3.785 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000473796315 994721536 /nfs/dbraw/zinc/72/15/36/994721536.db2.gz XTKNJUYKRFNXKE-MTNREXPMSA-N 1 0 419.525 3.893 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482013293 994920279 /nfs/dbraw/zinc/92/02/79/994920279.db2.gz CKIDKGCVFNPORD-DHIUTWEWSA-N 1 0 401.510 3.958 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000473962019 994942166 /nfs/dbraw/zinc/94/21/66/994942166.db2.gz YSXABBVYOMWYAK-UHFFFAOYSA-N 1 0 410.493 3.528 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000482208926 995192705 /nfs/dbraw/zinc/19/27/05/995192705.db2.gz IEGZUPBNGQROJA-FQEVSTJZSA-N 1 0 421.541 3.513 20 30 HHEDRO C=CCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000482577773 995581343 /nfs/dbraw/zinc/58/13/43/995581343.db2.gz LRVDHMDKUZJKOS-UHFFFAOYSA-N 1 0 405.498 3.548 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)c1ccc(F)c(F)c1 ZINC000474653596 995598159 /nfs/dbraw/zinc/59/81/59/995598159.db2.gz SWOTWKMSFRCWTR-FQEVSTJZSA-N 1 0 402.445 3.517 20 30 HHEDRO C=CCN1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000482653366 995647024 /nfs/dbraw/zinc/64/70/24/995647024.db2.gz XIMFKQSGUQXZPZ-LJQANCHMSA-N 1 0 419.635 3.989 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@H](CC#N)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000474772758 995700966 /nfs/dbraw/zinc/70/09/66/995700966.db2.gz GDRTVNOOHQCRAW-REHUZNOOSA-N 1 0 405.542 4.000 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000474801615 995715814 /nfs/dbraw/zinc/71/58/14/995715814.db2.gz RRKYIKPIERUEQL-UHFFFAOYSA-N 1 0 422.598 3.855 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000482889406 995820799 /nfs/dbraw/zinc/82/07/99/995820799.db2.gz LWUIHOZJODNJQB-RXVVDRJESA-N 1 0 408.521 3.854 20 30 HHEDRO CN(C(=O)NCCSCc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475014314 995870685 /nfs/dbraw/zinc/87/06/85/995870685.db2.gz JXSGDZNKGABVRZ-QFIPXVFZSA-N 1 0 408.571 3.707 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCC(F)F ZINC000475025907 995878951 /nfs/dbraw/zinc/87/89/51/995878951.db2.gz VUPSIDJYDNALGT-UHFFFAOYSA-N 1 0 402.445 3.798 20 30 HHEDRO O=C(C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000483115401 995985060 /nfs/dbraw/zinc/98/50/60/995985060.db2.gz XQUGHGZILMKLHN-SFHVURJKSA-N 1 0 404.407 3.802 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483270287 996072677 /nfs/dbraw/zinc/07/26/77/996072677.db2.gz NCGOCRSTPRQDEU-KRWDZBQOSA-N 1 0 411.811 3.882 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000483306866 996090237 /nfs/dbraw/zinc/09/02/37/996090237.db2.gz UTHOFEVQXSGDRA-NRFANRHFSA-N 1 0 407.505 3.726 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000475404769 996118676 /nfs/dbraw/zinc/11/86/76/996118676.db2.gz NATCOCNKZAYPPQ-UHFFFAOYSA-N 1 0 420.557 3.653 20 30 HHEDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000475406853 996120638 /nfs/dbraw/zinc/12/06/38/996120638.db2.gz KVDLYEVTPGCBQW-UTKZUKDTSA-N 1 0 408.498 3.777 20 30 HHEDRO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483369787 996132220 /nfs/dbraw/zinc/13/22/20/996132220.db2.gz TWYJHQCVWVLCFL-OAHLLOKOSA-N 1 0 418.423 3.748 20 30 HHEDRO C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000475444223 996143776 /nfs/dbraw/zinc/14/37/76/996143776.db2.gz HPDDYPKUWNGUMU-ICSRJNTNSA-N 1 0 408.521 3.842 20 30 HHEDRO CS[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483398589 996151365 /nfs/dbraw/zinc/15/13/65/996151365.db2.gz ANMFRGPDGUBUIA-PKTZIBPZSA-N 1 0 421.566 3.789 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000475624057 996256825 /nfs/dbraw/zinc/25/68/25/996256825.db2.gz LUTZRKQXQNGPBH-UHFFFAOYSA-N 1 0 414.509 3.863 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475655714 996280947 /nfs/dbraw/zinc/28/09/47/996280947.db2.gz KQSHNPXRUKTVHD-CYFREDJKSA-N 1 0 423.582 3.946 20 30 HHEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000475728904 996328237 /nfs/dbraw/zinc/32/82/37/996328237.db2.gz VBULFUUZUJXMKR-YDZRNGNQSA-N 1 0 412.578 3.722 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475736682 996336152 /nfs/dbraw/zinc/33/61/52/996336152.db2.gz BJXPTJLQLFLYHV-XUZZJYLKSA-N 1 0 408.590 3.706 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000476012129 996540564 /nfs/dbraw/zinc/54/05/64/996540564.db2.gz XNHZKUBULGAMIN-UHFFFAOYSA-N 1 0 409.578 3.577 20 30 HHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC000476087157 996586553 /nfs/dbraw/zinc/58/65/53/996586553.db2.gz UEGFUNPRYKOXSS-IBGZPJMESA-N 1 0 419.529 3.928 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c1C#N ZINC000484313384 996696356 /nfs/dbraw/zinc/69/63/56/996696356.db2.gz MWEMHJHFFDIZMW-OAQYLSRUSA-N 1 0 418.497 3.929 20 30 HHEDRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000484480778 996800162 /nfs/dbraw/zinc/80/01/62/996800162.db2.gz RRGQLCAARWAXJM-CQSZACIVSA-N 1 0 403.548 3.633 20 30 HHEDRO N#CC1(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000476409610 996870210 /nfs/dbraw/zinc/87/02/10/996870210.db2.gz BUQRPKJLZYLLBP-YADHBBJMSA-N 1 0 415.603 3.777 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1C#N ZINC000484612315 996944241 /nfs/dbraw/zinc/94/42/41/996944241.db2.gz GAEVUNIDYOFFPA-RTWAWAEBSA-N 1 0 420.517 3.526 20 30 HHEDRO CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000476468934 996945087 /nfs/dbraw/zinc/94/50/87/996945087.db2.gz FJZWAWOINFIJBK-DHIUTWEWSA-N 1 0 410.606 3.897 20 30 HHEDRO C=CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)CC1CCCCC1 ZINC000484692429 997031778 /nfs/dbraw/zinc/03/17/78/997031778.db2.gz XMBIXCPYRFLDFO-UHFFFAOYSA-N 1 0 403.611 3.696 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CC1 ZINC000476550811 997043098 /nfs/dbraw/zinc/04/30/98/997043098.db2.gz RCDSSICVJKYOPN-UHFFFAOYSA-N 1 0 403.885 3.509 20 30 HHEDRO N#Cc1ccc(OCC(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1 ZINC000484823777 997185458 /nfs/dbraw/zinc/18/54/58/997185458.db2.gz VDUCSHPFBGRATQ-JOCHJYFZSA-N 1 0 417.534 3.914 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(Br)cn1 ZINC000484992793 997355071 /nfs/dbraw/zinc/35/50/71/997355071.db2.gz ZBHNQAUJKFPCQZ-UHFFFAOYSA-N 1 0 422.396 3.942 20 30 HHEDRO N#Cc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000485085341 997457522 /nfs/dbraw/zinc/45/75/22/997457522.db2.gz HOJVDNRIIIKZRT-UHFFFAOYSA-N 1 0 402.420 3.728 20 30 HHEDRO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237568 997618712 /nfs/dbraw/zinc/61/87/12/997618712.db2.gz ZWBNPCBZNIDHTM-KWOQKUFVSA-N 1 0 402.542 3.554 20 30 HHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485350146 997771572 /nfs/dbraw/zinc/77/15/72/997771572.db2.gz QHCFKQHTHGZMIW-HJOGWXRNSA-N 1 0 403.526 3.759 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000485361485 997785717 /nfs/dbraw/zinc/78/57/17/997785717.db2.gz NORVFVCWLCRXMT-FKBYEOEOSA-N 1 0 420.582 3.712 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000477379883 998067374 /nfs/dbraw/zinc/06/73/74/998067374.db2.gz LGOFIIMQZUJDIV-SFHVURJKSA-N 1 0 405.498 3.581 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000485888231 998342313 /nfs/dbraw/zinc/34/23/13/998342313.db2.gz ILAWFXCVLRUUMA-PTUXOGIPSA-N 1 0 423.601 3.927 20 30 HHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000477772296 998521810 /nfs/dbraw/zinc/52/18/10/998521810.db2.gz KUPIMTUKIFPXSY-IBGZPJMESA-N 1 0 410.493 4.000 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000486241879 998670255 /nfs/dbraw/zinc/67/02/55/998670255.db2.gz MTOPVLSQYUGXFC-GOSISDBHSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000478273027 998856873 /nfs/dbraw/zinc/85/68/73/998856873.db2.gz MIVONEUSJVEYII-QZTJIDSGSA-N 1 0 424.570 3.656 20 30 HHEDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478284172 998864336 /nfs/dbraw/zinc/86/43/36/998864336.db2.gz WWAAGMTYCZEHQR-UHFFFAOYSA-N 1 0 423.904 3.739 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486822274 998956361 /nfs/dbraw/zinc/95/63/61/998956361.db2.gz JLKBNIUAKIVFFM-MFSJNOQSSA-N 1 0 408.546 3.903 20 30 HHEDRO Clc1ccc(C#CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)cc1 ZINC000486833021 998962481 /nfs/dbraw/zinc/96/24/81/998962481.db2.gz JCBHJJTYPXMODO-VGOFRKELSA-N 1 0 405.889 3.585 20 30 HHEDRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s2)cc1 ZINC000486861062 998978288 /nfs/dbraw/zinc/97/82/88/998978288.db2.gz XDVBAVHUBXHBQU-OAQYLSRUSA-N 1 0 402.523 3.881 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCCC(C)C ZINC000486885461 998991097 /nfs/dbraw/zinc/99/10/97/998991097.db2.gz KOTKBKQIJLENEZ-QFIPXVFZSA-N 1 0 421.541 3.882 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969445 999022367 /nfs/dbraw/zinc/02/23/67/999022367.db2.gz HJMIXMYVZQBDQI-YADHBBJMSA-N 1 0 420.548 3.828 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000478563610 999026590 /nfs/dbraw/zinc/02/65/90/999026590.db2.gz QZXMOBXGMUCWBH-XUZZJYLKSA-N 1 0 402.542 3.751 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C[C@H](C)O1 ZINC000478791687 999143130 /nfs/dbraw/zinc/14/31/30/999143130.db2.gz CFYYJBURCUXILX-KDURUIRLSA-N 1 0 418.541 3.656 20 30 HHEDRO C=CCN(CCOC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000478854948 999177192 /nfs/dbraw/zinc/17/71/92/999177192.db2.gz LOBUGJQGVLHPME-PKOBYXMFSA-N 1 0 413.484 3.932 20 30 HHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000478865376 999182826 /nfs/dbraw/zinc/18/28/26/999182826.db2.gz BVCSHDXFJWXONF-OALUTQOASA-N 1 0 407.514 3.970 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000487497910 999198807 /nfs/dbraw/zinc/19/88/07/999198807.db2.gz DFPGAHXJVLAKIU-SFHVURJKSA-N 1 0 413.587 3.875 20 30 HHEDRO Cc1ccc2ncc(C#N)c(N3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)c2c1 ZINC000487747646 999275839 /nfs/dbraw/zinc/27/58/39/999275839.db2.gz GVSBJWGCWRADCK-QHCPKHFHSA-N 1 0 411.553 3.811 20 30 HHEDRO N#CC1(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479216888 999329912 /nfs/dbraw/zinc/32/99/12/999329912.db2.gz NIRBICVMVRMOKV-UHFFFAOYSA-N 1 0 419.916 3.814 20 30 HHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2c(n1)onc2C(C)C ZINC000479238998 999339986 /nfs/dbraw/zinc/33/99/86/999339986.db2.gz DTCGJFDLDDLVCS-UHFFFAOYSA-N 1 0 417.513 3.943 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](O)Cc1cccc(Cl)c1 ZINC000488087499 999371934 /nfs/dbraw/zinc/37/19/34/999371934.db2.gz LYYOUNIWQFAYLL-LJQANCHMSA-N 1 0 421.010 3.842 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000488475156 999499736 /nfs/dbraw/zinc/49/97/36/999499736.db2.gz ZWQVVORXCAKIQV-SWLSCSKDSA-N 1 0 404.333 3.834 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4ncc(C(F)(F)F)cc43)C2=O)cc1 ZINC000488491574 999505766 /nfs/dbraw/zinc/50/57/66/999505766.db2.gz VUKRBQDFSNKZTG-PMACEKPBSA-N 1 0 414.431 3.740 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4ncc(C(F)(F)F)cc43)C2=O)cc1 ZINC000488491580 999505846 /nfs/dbraw/zinc/50/58/46/999505846.db2.gz VUKRBQDFSNKZTG-VQTJNVASSA-N 1 0 414.431 3.740 20 30 HHEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488497053 999507594 /nfs/dbraw/zinc/50/75/94/999507594.db2.gz KONGARNDHPQHRT-FOIQADDNSA-N 1 0 412.331 3.642 20 30 HHEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488503741 999510106 /nfs/dbraw/zinc/51/01/06/999510106.db2.gz VCOJFBOHFTUNQI-WZONZLPQSA-N 1 0 418.541 3.789 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000488512084 999513323 /nfs/dbraw/zinc/51/33/23/999513323.db2.gz DQGPIYZEBCFTOF-KSFYIVLOSA-N 1 0 422.598 3.997 20 30 HHEDRO C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488613258 999545644 /nfs/dbraw/zinc/54/56/44/999545644.db2.gz PQWRGVKTVXSFPQ-WUMKDDEVSA-N 1 0 418.541 3.552 20 30 HHEDRO C=CC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000488687850 999572857 /nfs/dbraw/zinc/57/28/57/999572857.db2.gz GOKWLHIGTIHOPC-UPVQGACJSA-N 1 0 418.585 3.802 20 30 HHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000488792530 999609687 /nfs/dbraw/zinc/60/96/87/999609687.db2.gz HAIXFWCUQLSADQ-SFHVURJKSA-N 1 0 407.539 3.504 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000488883422 999636183 /nfs/dbraw/zinc/63/61/83/999636183.db2.gz ZDPSOLYOCXJISM-GOSISDBHSA-N 1 0 407.539 3.504 20 30 HHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000479941086 999656383 /nfs/dbraw/zinc/65/63/83/999656383.db2.gz NMXNMWLWYFJUNY-UHFFFAOYSA-N 1 0 406.530 3.805 20 30 HHEDRO C[C@]1(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000489059138 999685609 /nfs/dbraw/zinc/68/56/09/999685609.db2.gz HHRMGTKHMMEUSG-UKILVPOCSA-N 1 0 418.541 3.696 20 30 HHEDRO C[C@@]1(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000489059139 999685644 /nfs/dbraw/zinc/68/56/44/999685644.db2.gz HHRMGTKHMMEUSG-ZCYQVOJMSA-N 1 0 418.541 3.696 20 30 HHEDRO Cn1cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000480075703 999710305 /nfs/dbraw/zinc/71/03/05/999710305.db2.gz VSKRNYHSGMEVPH-GOSISDBHSA-N 1 0 405.889 3.507 20 30 HHEDRO N#Cc1c(C#N)c2c(nc1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CCCCCC2 ZINC000480084657 999712889 /nfs/dbraw/zinc/71/28/89/999712889.db2.gz KCYHSGWFWZEIJQ-VQTJNVASSA-N 1 0 415.541 3.531 20 30 HHEDRO N#Cc1c(C#N)c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc2c1CCCCCC2 ZINC000480085674 999713338 /nfs/dbraw/zinc/71/33/38/999713338.db2.gz YBQLZAYEJDPQIT-PKTZIBPZSA-N 1 0 407.562 3.664 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000480311165 999768539 /nfs/dbraw/zinc/76/85/39/999768539.db2.gz QUOYNLCTUJAXPS-OALUTQOASA-N 1 0 421.541 3.641 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489781352 999837150 /nfs/dbraw/zinc/83/71/50/999837150.db2.gz UJJTVUPSWWZLAN-OAQYLSRUSA-N 1 0 422.598 3.655 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C(=O)Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000490004076 999876259 /nfs/dbraw/zinc/87/62/59/999876259.db2.gz LITJVZVLNWFADL-JOCHJYFZSA-N 1 0 420.488 3.543 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)CC1 ZINC000490355425 999943555 /nfs/dbraw/zinc/94/35/55/999943555.db2.gz SCUHDIAYJCURTE-OAQYLSRUSA-N 1 0 424.932 3.740 20 30 HHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1S(=O)(=O)CCCCC#N ZINC000490422071 999955219 /nfs/dbraw/zinc/95/52/19/999955219.db2.gz NHVKWAWIUFXGOM-JOCHJYFZSA-N 1 0 405.608 3.675 20 30 HHEDRO Cc1cc(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000490535043 999974083 /nfs/dbraw/zinc/97/40/83/999974083.db2.gz NVUSARMFPPNRSH-VWLOTQADSA-N 1 0 413.525 3.837 20 30 HHEDRO Cn1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490584153 999980279 /nfs/dbraw/zinc/98/02/79/999980279.db2.gz CWCVCTSKBXRONF-UHFFFAOYSA-N 1 0 401.514 3.528 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2)cc1 ZINC000490737753 999998882 /nfs/dbraw/zinc/99/88/82/999998882.db2.gz APAABFDIXMCKES-DNQXCXABSA-N 1 0 419.525 3.848 20 30 HHEDRO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491092038 1000044788 /nfs/dbraw/zinc/04/47/88/1000044788.db2.gz ROOZSLQOENBNIF-UHFFFAOYSA-N 1 0 413.525 3.615 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000491571082 1000084438 /nfs/dbraw/zinc/08/44/38/1000084438.db2.gz ZUUYWXAMFNBVSJ-PZJWPPBQSA-N 1 0 419.550 3.694 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(COC)CCOCC2)cc1OC ZINC000491577956 1000085144 /nfs/dbraw/zinc/08/51/44/1000085144.db2.gz BOEFBUZDECUDBX-UHFFFAOYSA-N 1 0 414.340 3.555 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2)cc1 ZINC000492054640 1000107173 /nfs/dbraw/zinc/10/71/73/1000107173.db2.gz POWZJMNCCLUNHJ-DNQXCXABSA-N 1 0 418.541 3.800 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(F)c(F)cc1N1CCOCC1)C(C)C ZINC000493081631 1000156779 /nfs/dbraw/zinc/15/67/79/1000156779.db2.gz RUXAOLNXOSBRIS-OAQYLSRUSA-N 1 0 422.520 3.622 20 30 HHEDRO CSc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+](C)C)cc1 ZINC000493583103 1000180761 /nfs/dbraw/zinc/18/07/61/1000180761.db2.gz ZVHHRXICHWJMGI-HXUWFJFHSA-N 1 0 424.570 3.567 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000493918954 1000214506 /nfs/dbraw/zinc/21/45/06/1000214506.db2.gz BDJNAPKSCLGRCY-IERDGZPVSA-N 1 0 414.912 3.840 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000504672818 1000319639 /nfs/dbraw/zinc/31/96/39/1000319639.db2.gz FHOGLLFIVXJSSQ-UHFFFAOYSA-N 1 0 400.350 3.538 20 30 HHEDRO CC(C)(CNC(=O)NCCSCc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000504779937 1000366743 /nfs/dbraw/zinc/36/67/43/1000366743.db2.gz WKPOWWADRPROIK-UHFFFAOYSA-N 1 0 422.598 3.928 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1)C1CC1 ZINC000504889926 1000430561 /nfs/dbraw/zinc/43/05/61/1000430561.db2.gz SIPRGNGPXNXXAM-UHFFFAOYSA-N 1 0 406.505 3.644 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC2)cc1 ZINC000505131440 1000567157 /nfs/dbraw/zinc/56/71/57/1000567157.db2.gz RTZZPAASEOWGIH-OAQYLSRUSA-N 1 0 421.516 3.979 20 30 HHEDRO COc1ccc([C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+]2CCCC2)cc1 ZINC000505159741 1000586427 /nfs/dbraw/zinc/58/64/27/1000586427.db2.gz JWBPWUJBWQPUPB-QFIPXVFZSA-N 1 0 409.505 3.937 20 30 HHEDRO CC(C)C[NH+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)C ZINC000494755001 1000636107 /nfs/dbraw/zinc/63/61/07/1000636107.db2.gz AJWQKDTZXBLJQB-IBGZPJMESA-N 1 0 414.594 3.970 20 30 HHEDRO COc1cccc(N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000505611519 1000934057 /nfs/dbraw/zinc/93/40/57/1000934057.db2.gz LPYZVTKNPYMEME-UHFFFAOYSA-N 1 0 401.514 3.795 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000505622934 1000939028 /nfs/dbraw/zinc/93/90/28/1000939028.db2.gz QOYWDGDTYYAORT-UGKGYDQZSA-N 1 0 405.542 3.913 20 30 HHEDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000495344962 1000976156 /nfs/dbraw/zinc/97/61/56/1000976156.db2.gz HBIFJJQFVIEGTD-GOSISDBHSA-N 1 0 418.419 3.548 20 30 HHEDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000495450490 1001016628 /nfs/dbraw/zinc/01/66/28/1001016628.db2.gz QMALMSXCCNTFDP-QZTJIDSGSA-N 1 0 403.592 3.946 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000505832540 1001050133 /nfs/dbraw/zinc/05/01/33/1001050133.db2.gz PXSMIBOVTOZQDE-GOSISDBHSA-N 1 0 420.513 3.779 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)C(C)C ZINC000496011991 1001110895 /nfs/dbraw/zinc/11/08/95/1001110895.db2.gz AAKPBQSQJHBELX-PKTZIBPZSA-N 1 0 411.590 3.662 20 30 HHEDRO N#C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000505934472 1001111456 /nfs/dbraw/zinc/11/14/56/1001111456.db2.gz ZXXJKDFSMZPSEZ-ICSRJNTNSA-N 1 0 405.395 3.961 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000505937842 1001114225 /nfs/dbraw/zinc/11/42/25/1001114225.db2.gz IEFZHSNUVURQCI-UHFFFAOYSA-N 1 0 400.885 3.674 20 30 HHEDRO C=CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1OC ZINC000496210585 1001140538 /nfs/dbraw/zinc/14/05/38/1001140538.db2.gz KZBSKKVRXUXMDI-OAQYLSRUSA-N 1 0 409.530 3.782 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[NH+](C)C ZINC000496300454 1001154892 /nfs/dbraw/zinc/15/48/92/1001154892.db2.gz CAVIHMPCRJPXJT-NSHDSACASA-N 1 0 411.453 3.696 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1OC ZINC000496504349 1001187700 /nfs/dbraw/zinc/18/77/00/1001187700.db2.gz WDJJODPRWBFFDM-HXUWFJFHSA-N 1 0 410.514 3.836 20 30 HHEDRO Cc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000506324202 1001354716 /nfs/dbraw/zinc/35/47/16/1001354716.db2.gz CGASIXFLOGSJCO-UHFFFAOYSA-N 1 0 405.546 3.715 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000506478581 1001431035 /nfs/dbraw/zinc/43/10/35/1001431035.db2.gz GWUKRJMOSRXITQ-MOPGFXCFSA-N 1 0 400.592 3.827 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497561168 1001436019 /nfs/dbraw/zinc/43/60/19/1001436019.db2.gz AMUWGYWCUWJNCD-UHFFFAOYSA-N 1 0 415.481 3.510 20 30 HHEDRO CC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594092 1001451176 /nfs/dbraw/zinc/45/11/76/1001451176.db2.gz PPDPJGIESRQSAU-IBGZPJMESA-N 1 0 408.521 3.819 20 30 HHEDRO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599536 1001453695 /nfs/dbraw/zinc/45/36/95/1001453695.db2.gz FWSUYVXBEZELOJ-FQEVSTJZSA-N 1 0 405.542 3.806 20 30 HHEDRO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000497617656 1001460471 /nfs/dbraw/zinc/46/04/71/1001460471.db2.gz HMVDMBPBUJUDSN-NQIIRXRSSA-N 1 0 407.514 3.630 20 30 HHEDRO N#Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000497659611 1001475460 /nfs/dbraw/zinc/47/54/60/1001475460.db2.gz KGSKXOOQQHNVHB-LJQANCHMSA-N 1 0 402.420 3.651 20 30 HHEDRO CCn1cc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000497947656 1001575341 /nfs/dbraw/zinc/57/53/41/1001575341.db2.gz ATDSVRQBTXQEAI-UHFFFAOYSA-N 1 0 400.526 3.810 20 30 HHEDRO N#CC1(NC(=O)c2ccc(OC(F)F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000498223012 1001707106 /nfs/dbraw/zinc/70/71/06/1001707106.db2.gz ZZNMLVWAZQLVDI-UHFFFAOYSA-N 1 0 403.404 3.715 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)c2)c1 ZINC000507064603 1001788603 /nfs/dbraw/zinc/78/86/03/1001788603.db2.gz MHXSYOGYXJRTLZ-HSZRJFAPSA-N 1 0 403.526 3.875 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2ccccc2Cl)c1C)C(C)C ZINC000498357414 1001792938 /nfs/dbraw/zinc/79/29/38/1001792938.db2.gz YIICUKRERMKKLS-IBGZPJMESA-N 1 0 401.942 3.658 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnn2c1nccc2-c1ccccc1)C(C)C ZINC000498357909 1001793344 /nfs/dbraw/zinc/79/33/44/1001793344.db2.gz BLPQTRWYLMFYTD-JOCHJYFZSA-N 1 0 403.530 3.825 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2cccc3cnccc32)c1C)C(C)C ZINC000498363617 1001796877 /nfs/dbraw/zinc/79/68/77/1001796877.db2.gz AGBXZDSHPIBBRC-QFIPXVFZSA-N 1 0 418.545 3.552 20 30 HHEDRO C=CCc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc(OC)c1O ZINC000498368882 1001800744 /nfs/dbraw/zinc/80/07/44/1001800744.db2.gz FRRYUSBDQKDESG-YADHBBJMSA-N 1 0 416.949 3.944 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341702 1002010693 /nfs/dbraw/zinc/01/06/93/1002010693.db2.gz QAGURQDGWMDXGX-DENIHFKCSA-N 1 0 418.541 3.947 20 30 HHEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507410883 1002056839 /nfs/dbraw/zinc/05/68/39/1002056839.db2.gz ZIFNJRUBCPXSOU-TZIWHRDSSA-N 1 0 407.514 3.682 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000507423093 1002063785 /nfs/dbraw/zinc/06/37/85/1002063785.db2.gz QOJVNLRJWIEXHR-COPCDDAFSA-N 1 0 418.497 3.963 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000498777025 1002162384 /nfs/dbraw/zinc/16/23/84/1002162384.db2.gz YHDIOEPJJRFMAM-UHFFFAOYSA-N 1 0 422.598 3.807 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000507603519 1002210795 /nfs/dbraw/zinc/21/07/95/1002210795.db2.gz JAUJXNQRDFBDCK-QPUCXAADSA-N 1 0 403.570 3.863 20 30 HHEDRO Cn1ccnc1COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507833982 1002375759 /nfs/dbraw/zinc/37/57/59/1002375759.db2.gz NNDWUIWLWGFIET-UHFFFAOYSA-N 1 0 402.498 3.914 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000499053661 1002435551 /nfs/dbraw/zinc/43/55/51/1002435551.db2.gz IYLKURHGLZGTRO-UHFFFAOYSA-N 1 0 422.476 3.655 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1OCCCC#N ZINC000507987376 1002516207 /nfs/dbraw/zinc/51/62/07/1002516207.db2.gz YAJIPOKQLYGGNH-FQEVSTJZSA-N 1 0 422.529 3.932 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000508163813 1002700971 /nfs/dbraw/zinc/70/09/71/1002700971.db2.gz YSAHZUOEKRCQLI-PMACEKPBSA-N 1 0 412.578 3.869 20 30 HHEDRO C=CCc1cc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC000499434968 1002819687 /nfs/dbraw/zinc/81/96/87/1002819687.db2.gz JSDBUZVIFNSXDE-UHFFFAOYSA-N 1 0 409.530 3.816 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1 ZINC000508450262 1002935703 /nfs/dbraw/zinc/93/57/03/1002935703.db2.gz YTZNBHNBMMXNDS-UHFFFAOYSA-N 1 0 403.473 3.803 20 30 HHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508474970 1002959401 /nfs/dbraw/zinc/95/94/01/1002959401.db2.gz WZYURWYYIUENMB-UHFFFAOYSA-N 1 0 402.546 3.992 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508480714 1002965055 /nfs/dbraw/zinc/96/50/55/1002965055.db2.gz JLPSBAWFVFFVMB-KRWDZBQOSA-N 1 0 404.356 3.670 20 30 HHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508482585 1002967394 /nfs/dbraw/zinc/96/73/94/1002967394.db2.gz YTPTTWDOEMTMDO-IBGZPJMESA-N 1 0 401.599 3.667 20 30 HHEDRO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000499733190 1003079224 /nfs/dbraw/zinc/07/92/24/1003079224.db2.gz RSJWZHVYJBUJHP-GOSISDBHSA-N 1 0 402.420 3.709 20 30 HHEDRO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000499733191 1003079633 /nfs/dbraw/zinc/07/96/33/1003079633.db2.gz RSJWZHVYJBUJHP-SFHVURJKSA-N 1 0 402.420 3.709 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508741665 1003179141 /nfs/dbraw/zinc/17/91/41/1003179141.db2.gz ZADAJDOXEWDZLK-UHFFFAOYSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508814993 1003240097 /nfs/dbraw/zinc/24/00/97/1003240097.db2.gz XCMBYQAKEASJOF-UHFFFAOYSA-N 1 0 424.552 3.925 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508842434 1003263067 /nfs/dbraw/zinc/26/30/67/1003263067.db2.gz BLZANNBZAWUSIA-FDDCHVKYSA-N 1 0 406.530 3.802 20 30 HHEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000508843051 1003263656 /nfs/dbraw/zinc/26/36/56/1003263656.db2.gz AUVVUZTVKAIKOG-UHFFFAOYSA-N 1 0 423.483 3.697 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC000508853293 1003273383 /nfs/dbraw/zinc/27/33/83/1003273383.db2.gz QNXXFLIQXYWPGV-RDPSFJRHSA-N 1 0 419.573 3.780 20 30 HHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508871879 1003292359 /nfs/dbraw/zinc/29/23/59/1003292359.db2.gz GYPLKRZZMFGTOU-UHFFFAOYSA-N 1 0 401.580 3.582 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508885203 1003308574 /nfs/dbraw/zinc/30/85/74/1003308574.db2.gz NJVNZWKNBRAQOA-QFIPXVFZSA-N 1 0 402.546 3.551 20 30 HHEDRO C=CCn1c(CC2CCCC2)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508888935 1003316678 /nfs/dbraw/zinc/31/66/78/1003316678.db2.gz QGYVLYWVZTVNIC-OALUTQOASA-N 1 0 401.599 3.522 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508919261 1003357822 /nfs/dbraw/zinc/35/78/22/1003357822.db2.gz QIFOZYRFOFFGFD-IBGZPJMESA-N 1 0 403.534 3.586 20 30 HHEDRO C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508923519 1003362777 /nfs/dbraw/zinc/36/27/77/1003362777.db2.gz VDTVBNGBLHGTDE-UHFFFAOYSA-N 1 0 407.518 3.834 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508928655 1003373862 /nfs/dbraw/zinc/37/38/62/1003373862.db2.gz AVSRNUTYJIZNDJ-LJQANCHMSA-N 1 0 417.561 3.833 20 30 HHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508939401 1003389278 /nfs/dbraw/zinc/38/92/78/1003389278.db2.gz SHVFWJQJMUZCJF-OAQYLSRUSA-N 1 0 407.562 3.808 20 30 HHEDRO C[C@H](NC(=O)c1cc(C#N)ccc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000509062909 1003525588 /nfs/dbraw/zinc/52/55/88/1003525588.db2.gz KEVKIRMJGJEGMV-AWEZNQCLSA-N 1 0 400.885 3.594 20 30 HHEDRO C[C@@H](NC(=O)c1cc(C#N)ccc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000509062910 1003525630 /nfs/dbraw/zinc/52/56/30/1003525630.db2.gz KEVKIRMJGJEGMV-CQSZACIVSA-N 1 0 400.885 3.594 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500832097 1003989459 /nfs/dbraw/zinc/98/94/59/1003989459.db2.gz LGQQHVUJTBEUNY-KRWDZBQOSA-N 1 0 415.534 3.691 20 30 HHEDRO Fc1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c(C(F)(F)F)c1 ZINC000512083905 1004010227 /nfs/dbraw/zinc/01/02/27/1004010227.db2.gz MPEBCVUYEPBZAE-UHFFFAOYSA-N 1 0 402.354 3.931 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)cc1Cl ZINC000500891381 1004032219 /nfs/dbraw/zinc/03/22/19/1004032219.db2.gz OEXRNPHMZUJCIL-UHFFFAOYSA-N 1 0 419.997 3.719 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512148745 1004058350 /nfs/dbraw/zinc/05/83/50/1004058350.db2.gz OWHAGWKVODMQLJ-IERDGZPVSA-N 1 0 423.536 3.602 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(C)C ZINC000509798485 1004105128 /nfs/dbraw/zinc/10/51/28/1004105128.db2.gz JXIYRRUPKRAWMA-QHCPKHFHSA-N 1 0 410.562 3.810 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512231356 1004131645 /nfs/dbraw/zinc/13/16/45/1004131645.db2.gz YJVJXTGNWRXGEL-DYESRHJHSA-N 1 0 411.594 3.979 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501065956 1004168362 /nfs/dbraw/zinc/16/83/62/1004168362.db2.gz BLGHQTPLBBEIDV-UXHICEINSA-N 1 0 405.384 3.506 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1OC ZINC000509944589 1004223863 /nfs/dbraw/zinc/22/38/63/1004223863.db2.gz PFGGZZRGXVCSDP-INIZCTEOSA-N 1 0 406.324 3.923 20 30 HHEDRO COc1cc(C#N)ccc1CN1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC000501291605 1004335454 /nfs/dbraw/zinc/33/54/54/1004335454.db2.gz NLXONRGWYCNSAT-QHCPKHFHSA-N 1 0 418.541 3.934 20 30 HHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000512531153 1004364541 /nfs/dbraw/zinc/36/45/41/1004364541.db2.gz DKXBMEIYNSRPQJ-CTNGQTDRSA-N 1 0 407.562 3.981 20 30 HHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000510158529 1004364860 /nfs/dbraw/zinc/36/48/60/1004364860.db2.gz BDAYAGLXQRTMAS-CQSZACIVSA-N 1 0 416.576 3.698 20 30 HHEDRO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)cc1 ZINC000512551957 1004379570 /nfs/dbraw/zinc/37/95/70/1004379570.db2.gz HXUUHNZYHOQCGC-UHFFFAOYSA-N 1 0 408.542 3.927 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1OCCCC#N ZINC000512610116 1004424000 /nfs/dbraw/zinc/42/40/00/1004424000.db2.gz WEQOZVGKEGWTFH-GOSISDBHSA-N 1 0 401.551 3.750 20 30 HHEDRO COc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000512623404 1004437431 /nfs/dbraw/zinc/43/74/31/1004437431.db2.gz SANBCSWGAILZFT-UHFFFAOYSA-N 1 0 415.497 3.808 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)c1 ZINC000512630170 1004442860 /nfs/dbraw/zinc/44/28/60/1004442860.db2.gz WCCKEXIGQLEVEP-UHFFFAOYSA-N 1 0 403.511 3.927 20 30 HHEDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000512660401 1004471255 /nfs/dbraw/zinc/47/12/55/1004471255.db2.gz MTKGGZDTFZBEPL-CYBMUJFWSA-N 1 0 404.283 3.931 20 30 HHEDRO C[C@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512669009 1004478720 /nfs/dbraw/zinc/47/87/20/1004478720.db2.gz YGPVUBBBRKTISY-HNNXBMFYSA-N 1 0 419.497 3.730 20 30 HHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701697 1004504776 /nfs/dbraw/zinc/50/47/76/1004504776.db2.gz SWGUTFKCRPESQC-QHCPKHFHSA-N 1 0 406.574 3.681 20 30 HHEDRO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000501851677 1004775806 /nfs/dbraw/zinc/77/58/06/1004775806.db2.gz SGQTXSLEBGPYBQ-JOCHJYFZSA-N 1 0 422.598 3.663 20 30 HHEDRO C=CCOc1cccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000510684293 1004797329 /nfs/dbraw/zinc/79/73/29/1004797329.db2.gz RWECEBQEKUUBLM-UHFFFAOYSA-N 1 0 408.546 3.975 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCc2nccs2)c1C#N ZINC000510728585 1004820190 /nfs/dbraw/zinc/82/01/90/1004820190.db2.gz BGPQOTQUNWOBEF-UHFFFAOYSA-N 1 0 411.531 3.578 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCC(C)(C)CCC#N)CC2)c1C ZINC000513135870 1004825733 /nfs/dbraw/zinc/82/57/33/1004825733.db2.gz PIYZFGKTQIWQJZ-UHFFFAOYSA-N 1 0 415.582 3.643 20 30 HHEDRO C=CCOc1cccc(NC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000510745788 1004829722 /nfs/dbraw/zinc/82/97/22/1004829722.db2.gz LASDYOFFNYUDOW-UHFFFAOYSA-N 1 0 408.546 3.894 20 30 HHEDRO C=CCOc1cccc(NC(=O)NCc2ccccc2CN2CC[NH+](CC)CC2)c1 ZINC000510753068 1004833125 /nfs/dbraw/zinc/83/31/25/1004833125.db2.gz PREJSTQUTJQMEM-UHFFFAOYSA-N 1 0 408.546 3.711 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000510753394 1004833362 /nfs/dbraw/zinc/83/33/62/1004833362.db2.gz ZDWZOYXFOMTRJP-UHFFFAOYSA-N 1 0 421.545 3.599 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000501992643 1004850572 /nfs/dbraw/zinc/85/05/72/1004850572.db2.gz YQKZNXWBPFYIDA-INIZCTEOSA-N 1 0 419.447 3.935 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513274148 1004890488 /nfs/dbraw/zinc/89/04/88/1004890488.db2.gz PXEMDOGQEGVKHE-NRFANRHFSA-N 1 0 407.514 3.507 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000502144940 1004922023 /nfs/dbraw/zinc/92/20/23/1004922023.db2.gz ODAQYNCQRMQWSU-GOSISDBHSA-N 1 0 407.518 3.547 20 30 HHEDRO CC(C)(C)Oc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000502156122 1004928153 /nfs/dbraw/zinc/92/81/53/1004928153.db2.gz PKIGHJQCCCHIAO-UHFFFAOYSA-N 1 0 421.545 3.548 20 30 HHEDRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000510950557 1004950401 /nfs/dbraw/zinc/95/04/01/1004950401.db2.gz LIQLFRMGGYDRFO-OAHLLOKOSA-N 1 0 422.369 3.717 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[NH+]2CCCC2)o1 ZINC000510982856 1004965391 /nfs/dbraw/zinc/96/53/91/1004965391.db2.gz LUJWYGNDUIKXJT-QFIPXVFZSA-N 1 0 422.529 3.850 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[NH+](C4CCC4)CC3)c2)c1 ZINC000502233579 1004970715 /nfs/dbraw/zinc/97/07/15/1004970715.db2.gz ODQHOBOPVKTZDL-UHFFFAOYSA-N 1 0 417.509 3.575 20 30 HHEDRO COc1cc(C)c([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000502282242 1004991921 /nfs/dbraw/zinc/99/19/21/1004991921.db2.gz MQVGQKGLMHHEKB-SFHVURJKSA-N 1 0 424.545 3.718 20 30 HHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502337319 1005019869 /nfs/dbraw/zinc/01/98/69/1005019869.db2.gz AKYZWQKTKCGYMH-LJQANCHMSA-N 1 0 407.518 3.668 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC=C(c4ccnn4C)CC3)sc2C1 ZINC000511145565 1005044214 /nfs/dbraw/zinc/04/42/14/1005044214.db2.gz WGVFIVPOMYGTSJ-OAHLLOKOSA-N 1 0 409.559 3.596 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000513604664 1005045704 /nfs/dbraw/zinc/04/57/04/1005045704.db2.gz KLYHLVBGTZBFGU-UHFFFAOYSA-N 1 0 406.530 3.915 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000511157497 1005049886 /nfs/dbraw/zinc/04/98/86/1005049886.db2.gz RJJKADWQRPZYQM-FQEVSTJZSA-N 1 0 417.962 3.791 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000502403331 1005059504 /nfs/dbraw/zinc/05/95/04/1005059504.db2.gz OUPKWELBONDWPM-UHFFFAOYSA-N 1 0 406.574 3.592 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000502404029 1005059746 /nfs/dbraw/zinc/05/97/46/1005059746.db2.gz KVZJCKSZQIVGFN-UHFFFAOYSA-N 1 0 424.520 3.554 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 ZINC000513672035 1005076433 /nfs/dbraw/zinc/07/64/33/1005076433.db2.gz ICTLWNZRJMMJRV-UHFFFAOYSA-N 1 0 402.542 3.943 20 30 HHEDRO Cn1nc(CCC[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1-c1ccc(F)cc1 ZINC000513707248 1005090525 /nfs/dbraw/zinc/09/05/25/1005090525.db2.gz ASNZKPLXUMUCAD-UHFFFAOYSA-N 1 0 405.477 3.601 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC2)cc1 ZINC000513736999 1005103000 /nfs/dbraw/zinc/10/30/00/1005103000.db2.gz RGVKNHHNPWJNNK-UHFFFAOYSA-N 1 0 419.525 3.507 20 30 HHEDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)CC1 ZINC000511608589 1005243080 /nfs/dbraw/zinc/24/30/80/1005243080.db2.gz FLROAFQCYQMCJG-UHFFFAOYSA-N 1 0 412.921 3.970 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)c(C(F)(F)F)c2)CC1 ZINC000511735148 1005298595 /nfs/dbraw/zinc/29/85/95/1005298595.db2.gz PPFXJWUZYPWTKG-UHFFFAOYSA-N 1 0 406.383 3.720 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(OC)c1 ZINC000511757993 1005310060 /nfs/dbraw/zinc/31/00/60/1005310060.db2.gz QGBLNWXBHAAVIJ-LWSSLDFYSA-N 1 0 423.553 3.668 20 30 HHEDRO CC1CCN(C(=O)C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000514204573 1005311793 /nfs/dbraw/zinc/31/17/93/1005311793.db2.gz TVFZHCDFMFZXOC-UHFFFAOYSA-N 1 0 416.953 3.511 20 30 HHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503031270 1005320963 /nfs/dbraw/zinc/32/09/63/1005320963.db2.gz WGDBALBUHLDWIZ-QFIPXVFZSA-N 1 0 417.575 3.744 20 30 HHEDRO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000503260069 1005379230 /nfs/dbraw/zinc/37/92/30/1005379230.db2.gz BJQQINYGWBMYEA-INIZCTEOSA-N 1 0 412.921 3.692 20 30 HHEDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1-c1cccc(C#N)c1 ZINC000503336159 1005392728 /nfs/dbraw/zinc/39/27/28/1005392728.db2.gz KVKDWZVUWJQJIX-GCJKJVERSA-N 1 0 419.554 3.927 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503400652 1005408828 /nfs/dbraw/zinc/40/88/28/1005408828.db2.gz YOOCKKIUMZUZAR-RDPSFJRHSA-N 1 0 413.562 3.619 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)C(C)C ZINC000503427701 1005417201 /nfs/dbraw/zinc/41/72/01/1005417201.db2.gz FDPGUXLHFFPGQC-IFMALSPDSA-N 1 0 412.578 3.745 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2c(cnn2-c2ccccc2)C1)C(C)C ZINC000503442371 1005421799 /nfs/dbraw/zinc/42/17/99/1005421799.db2.gz RIVFNMCSKVWATM-QHCPKHFHSA-N 1 0 407.562 3.639 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000503606799 1005463897 /nfs/dbraw/zinc/46/38/97/1005463897.db2.gz GOEWLPATVNUEAQ-DRMXPCRNSA-N 1 0 413.562 3.665 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(F)cc1Cl ZINC000503665322 1005476592 /nfs/dbraw/zinc/47/65/92/1005476592.db2.gz ZVYRJNTYFPOBBG-UHFFFAOYSA-N 1 0 402.901 3.667 20 30 HHEDRO Cc1cccc2[nH]cc(CCNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c21 ZINC000503778000 1005492225 /nfs/dbraw/zinc/49/22/25/1005492225.db2.gz NOGPUJGJJFEZMC-UHFFFAOYSA-N 1 0 403.530 3.664 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503885599 1005504734 /nfs/dbraw/zinc/50/47/34/1005504734.db2.gz OQAZWUVEVDLFKF-MRXNPFEDSA-N 1 0 409.983 3.877 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OCc4ccncc4)cc3)C2=O)cc1 ZINC000503926547 1005513590 /nfs/dbraw/zinc/51/35/90/1005513590.db2.gz JRDOADODBIBYQX-XMMPIXPASA-N 1 0 412.493 3.817 20 30 HHEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(SC)cc1OC ZINC000503928998 1005514023 /nfs/dbraw/zinc/51/40/23/1005514023.db2.gz LEILZNRQBGIVJK-GOSISDBHSA-N 1 0 411.527 3.583 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000504405497 1005620214 /nfs/dbraw/zinc/62/02/14/1005620214.db2.gz FEHNPUNKQUHKPT-UHFFFAOYSA-N 1 0 405.542 3.867 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000534022642 1005994665 /nfs/dbraw/zinc/99/46/65/1005994665.db2.gz QITULJKRSVDBAX-FCHUYYIVSA-N 1 0 401.466 3.905 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)c1C#N ZINC000534063249 1006034916 /nfs/dbraw/zinc/03/49/16/1006034916.db2.gz WSZMOKJTLVRWEB-UHFFFAOYSA-N 1 0 413.525 3.966 20 30 HHEDRO CN(CC1([NH+](C)C)CCC1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000514622766 1006056309 /nfs/dbraw/zinc/05/63/09/1006056309.db2.gz RALLITDXEVAZSB-UHFFFAOYSA-N 1 0 402.970 3.761 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccc(F)c(F)c1 ZINC000514723363 1006093116 /nfs/dbraw/zinc/09/31/16/1006093116.db2.gz JPWLICSDSQMQDX-UHFFFAOYSA-N 1 0 406.502 3.746 20 30 HHEDRO CCOCCCNC(=O)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000514748341 1006101328 /nfs/dbraw/zinc/10/13/28/1006101328.db2.gz PVHNRMQMYMOZLZ-UHFFFAOYSA-N 1 0 420.557 3.791 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nccn1CC(F)(F)F ZINC000531408560 1006177963 /nfs/dbraw/zinc/17/79/63/1006177963.db2.gz RQNIFUUPEAJHPC-UHFFFAOYSA-N 1 0 414.501 3.544 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C1=O ZINC000531438963 1006197273 /nfs/dbraw/zinc/19/72/73/1006197273.db2.gz QNTYARCGXJNCIU-FQEVSTJZSA-N 1 0 407.495 3.825 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C3CCOCC3)C2)sc2c1CCCCC2 ZINC000534381418 1006352254 /nfs/dbraw/zinc/35/22/54/1006352254.db2.gz XECGIHQPHXGQLE-KRWDZBQOSA-N 1 0 401.576 3.966 20 30 HHEDRO CC1CC(C#N)(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000531812315 1006445501 /nfs/dbraw/zinc/44/55/01/1006445501.db2.gz GMPMPRXLAGDZHM-UHFFFAOYSA-N 1 0 402.542 3.565 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccc(CC#N)cc3)CC2)c1C ZINC000534620858 1006600994 /nfs/dbraw/zinc/60/09/94/1006600994.db2.gz WFPLVOYGLWPMMK-UHFFFAOYSA-N 1 0 406.530 3.510 20 30 HHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000515721635 1006620292 /nfs/dbraw/zinc/62/02/92/1006620292.db2.gz YGUKXFQBLNWPSA-UHFFFAOYSA-N 1 0 411.571 3.942 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000534681364 1006659045 /nfs/dbraw/zinc/65/90/45/1006659045.db2.gz VUCOSGMTOILKNV-DHIUTWEWSA-N 1 0 404.514 3.556 20 30 HHEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538390801 1006660266 /nfs/dbraw/zinc/66/02/66/1006660266.db2.gz ZEGOGIXXVNGRAR-QMHKHESXSA-N 1 0 423.488 3.973 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515774709 1006663593 /nfs/dbraw/zinc/66/35/93/1006663593.db2.gz GZSJVYZWWLDILY-NRFANRHFSA-N 1 0 407.514 3.679 20 30 HHEDRO CN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000538408587 1006675460 /nfs/dbraw/zinc/67/54/60/1006675460.db2.gz XXZTYUWTNIOBFW-DNQXCXABSA-N 1 0 410.512 3.836 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)C(C)C ZINC000534763286 1006760623 /nfs/dbraw/zinc/76/06/23/1006760623.db2.gz XCHYYJGYUOJTKG-OAQYLSRUSA-N 1 0 419.533 3.636 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(N2CCCC2=O)ccc1Cl)C(C)C ZINC000534795121 1006798137 /nfs/dbraw/zinc/79/81/37/1006798137.db2.gz ZLVUIAVETJDKSO-HXUWFJFHSA-N 1 0 403.954 3.895 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)[NH+]1CCCC1 ZINC000515970455 1006798267 /nfs/dbraw/zinc/79/82/67/1006798267.db2.gz UCQAVYACZAFKOQ-URXFXBBRSA-N 1 0 421.541 3.924 20 30 HHEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)CC1 ZINC000532351347 1006812162 /nfs/dbraw/zinc/81/21/62/1006812162.db2.gz MFWMBUKHUDUBCM-OALUTQOASA-N 1 0 415.607 3.713 20 30 HHEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)C2)CC1 ZINC000532351442 1006812539 /nfs/dbraw/zinc/81/25/39/1006812539.db2.gz YLGAQJWAOORJFP-VWLOTQADSA-N 1 0 416.569 3.719 20 30 HHEDRO CCOc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c([N+](=O)[O-])c1 ZINC000532499599 1006940053 /nfs/dbraw/zinc/94/00/53/1006940053.db2.gz JOMULOCYMGUNCU-UHFFFAOYSA-N 1 0 410.474 3.962 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538665266 1006948492 /nfs/dbraw/zinc/94/84/92/1006948492.db2.gz OPBBEMBEDILJEL-LJQANCHMSA-N 1 0 400.486 3.552 20 30 HHEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538719370 1006993519 /nfs/dbraw/zinc/99/35/19/1006993519.db2.gz FYXALILGYQYADM-RPWUZVMVSA-N 1 0 406.526 3.889 20 30 HHEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000532584684 1007020439 /nfs/dbraw/zinc/02/04/39/1007020439.db2.gz SNPGWIVHIYJDMU-INIZCTEOSA-N 1 0 407.905 3.899 20 30 HHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000532683383 1007096923 /nfs/dbraw/zinc/09/69/23/1007096923.db2.gz WCCYIJBWVORSLY-QGZVFWFLSA-N 1 0 402.926 3.994 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000535104286 1007125537 /nfs/dbraw/zinc/12/55/37/1007125537.db2.gz DCSDHNRPFVAQDC-UHFFFAOYSA-N 1 0 409.530 3.980 20 30 HHEDRO N#Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000516695872 1007241030 /nfs/dbraw/zinc/24/10/30/1007241030.db2.gz GZRIHWFEZFXYAO-UHFFFAOYSA-N 1 0 412.497 3.919 20 30 HHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C ZINC000538956202 1007244459 /nfs/dbraw/zinc/24/44/59/1007244459.db2.gz OWRZUEGGVSDGGP-QUCCMNQESA-N 1 0 401.551 3.847 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)CC2)cc1 ZINC000538999063 1007295229 /nfs/dbraw/zinc/29/52/29/1007295229.db2.gz KJZUGCQTPLCEPV-RPWUZVMVSA-N 1 0 418.541 3.553 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000532927026 1007299540 /nfs/dbraw/zinc/29/95/40/1007299540.db2.gz GSSRYKDCUVFYIM-NVXWUHKLSA-N 1 0 410.326 3.845 20 30 HHEDRO C=CCC[C@@H](NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1 ZINC000532931014 1007304851 /nfs/dbraw/zinc/30/48/51/1007304851.db2.gz WRDHGZBQOOKUSA-RPWUZVMVSA-N 1 0 406.574 3.982 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000535275702 1007327228 /nfs/dbraw/zinc/32/72/28/1007327228.db2.gz HVAWQFPZSNLSCS-FQEVSTJZSA-N 1 0 409.555 3.869 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[N@@H+](C3CCCC3)CC2)c1C#N ZINC000532969175 1007336140 /nfs/dbraw/zinc/33/61/40/1007336140.db2.gz VSDQAAKRHOGUDV-UHFFFAOYSA-N 1 0 423.561 3.507 20 30 HHEDRO C=C[C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000535356383 1007414150 /nfs/dbraw/zinc/41/41/50/1007414150.db2.gz VKVKROYDPCBXIE-XZOQPEGZSA-N 1 0 418.585 3.802 20 30 HHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCc2cccc(F)c2)C2CCCC2)c1 ZINC000533147988 1007485238 /nfs/dbraw/zinc/48/52/38/1007485238.db2.gz JIHOWSYIECKPLW-UHFFFAOYSA-N 1 0 400.519 3.958 20 30 HHEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000539214722 1007505811 /nfs/dbraw/zinc/50/58/11/1007505811.db2.gz WHKBCWRKASKGKM-KRWDZBQOSA-N 1 0 405.523 3.984 20 30 HHEDRO COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1OCCCC#N ZINC000533187168 1007525360 /nfs/dbraw/zinc/52/53/60/1007525360.db2.gz CDEGQWCSJFZXGB-UHFFFAOYSA-N 1 0 423.561 3.915 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000539254176 1007548302 /nfs/dbraw/zinc/54/83/02/1007548302.db2.gz RNBXRNHXAUIJER-LJQANCHMSA-N 1 0 406.530 3.996 20 30 HHEDRO COc1ccc(C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)cc1OC ZINC000539258901 1007553459 /nfs/dbraw/zinc/55/34/59/1007553459.db2.gz JBSPZJRDVGBKRM-RDPSFJRHSA-N 1 0 409.530 3.632 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)CC1 ZINC000517310330 1007556293 /nfs/dbraw/zinc/55/62/93/1007556293.db2.gz WLVFJPYTZLNGDZ-UHFFFAOYSA-N 1 0 404.514 3.602 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539277027 1007571441 /nfs/dbraw/zinc/57/14/41/1007571441.db2.gz MYNGQXQRMQWSSO-SJORKVTESA-N 1 0 410.493 3.737 20 30 HHEDRO C=CCSc1ccccc1NC(=O)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000533278620 1007590389 /nfs/dbraw/zinc/59/03/89/1007590389.db2.gz QURAHRRWQPRVFA-OALUTQOASA-N 1 0 417.619 3.724 20 30 HHEDRO COc1ccccc1[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000533290196 1007603333 /nfs/dbraw/zinc/60/33/33/1007603333.db2.gz SQDVDHQXYDWOPY-SFHVURJKSA-N 1 0 416.443 3.671 20 30 HHEDRO COC1CCC([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000533299214 1007615774 /nfs/dbraw/zinc/61/57/74/1007615774.db2.gz MGWQQYMRYGBURA-UHFFFAOYSA-N 1 0 412.509 3.933 20 30 HHEDRO CC1CCN(C(=O)C2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000533324756 1007636216 /nfs/dbraw/zinc/63/62/16/1007636216.db2.gz IAVGVAKOAJNAQE-UHFFFAOYSA-N 1 0 408.464 3.907 20 30 HHEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539363563 1007666710 /nfs/dbraw/zinc/66/67/10/1007666710.db2.gz OEMDVCDHHCHPGW-RTWAWAEBSA-N 1 0 408.571 3.603 20 30 HHEDRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000539365315 1007668492 /nfs/dbraw/zinc/66/84/92/1007668492.db2.gz PICYDQLTPUGOEB-CVDCTZTESA-N 1 0 408.521 3.536 20 30 HHEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 ZINC000517531654 1007750263 /nfs/dbraw/zinc/75/02/63/1007750263.db2.gz CORHWTGZWDBXEQ-MRXNPFEDSA-N 1 0 411.531 3.839 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)CC2)cc1 ZINC000517587859 1007788577 /nfs/dbraw/zinc/78/85/77/1007788577.db2.gz FEQKFSDBYFWGFT-JOCHJYFZSA-N 1 0 422.504 3.829 20 30 HHEDRO C[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)c1ccc(C#N)cc1 ZINC000535789341 1007794346 /nfs/dbraw/zinc/79/43/46/1007794346.db2.gz CIQLJCUWAOAUGX-LJQANCHMSA-N 1 0 418.541 3.649 20 30 HHEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCc3cccc(COCc4ccco4)c3)CC2)c1 ZINC000517597207 1007798682 /nfs/dbraw/zinc/79/86/82/1007798682.db2.gz KHYAMQXCMSTELB-UHFFFAOYSA-N 1 0 415.493 3.763 20 30 HHEDRO Cc1nc(CN2CCC(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)CC2)oc1C ZINC000539495369 1007807172 /nfs/dbraw/zinc/80/71/72/1007807172.db2.gz NVONTOLAIUXIPY-UHFFFAOYSA-N 1 0 421.589 3.629 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000533506883 1007820867 /nfs/dbraw/zinc/82/08/67/1007820867.db2.gz LENBMCTZYIBFQR-UHFFFAOYSA-N 1 0 400.486 3.552 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000539523965 1007832878 /nfs/dbraw/zinc/83/28/78/1007832878.db2.gz LDGRTUGCCQYEIH-UHFFFAOYSA-N 1 0 418.518 3.757 20 30 HHEDRO CC[C@H](c1ccccc1)[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)CC(C)C ZINC000533523238 1007843546 /nfs/dbraw/zinc/84/35/46/1007843546.db2.gz GTXFMELLWSRCLI-JOCHJYFZSA-N 1 0 423.561 3.613 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@H](C)CCSC)cc1 ZINC000533529435 1007849359 /nfs/dbraw/zinc/84/93/59/1007849359.db2.gz YKWMBJBEKSYJSJ-OAHLLOKOSA-N 1 0 414.575 3.986 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(F)c1 ZINC000517663576 1007876675 /nfs/dbraw/zinc/87/66/75/1007876675.db2.gz DITZHVRUDIDGMU-OAQYLSRUSA-N 1 0 404.445 3.917 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000539610254 1007926601 /nfs/dbraw/zinc/92/66/01/1007926601.db2.gz RNJJWGNTKCZYPE-MRXNPFEDSA-N 1 0 401.507 3.723 20 30 HHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000539609965 1007926742 /nfs/dbraw/zinc/92/67/42/1007926742.db2.gz VLBPCCJOXOMQNY-INIZCTEOSA-N 1 0 415.534 3.811 20 30 HHEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccc(C(C)(C)C#N)cc4)n3)cn2)CC1 ZINC000517779743 1007962662 /nfs/dbraw/zinc/96/26/62/1007962662.db2.gz CNUMLRXHUIARDD-UHFFFAOYSA-N 1 0 402.502 3.742 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535969893 1008008342 /nfs/dbraw/zinc/00/83/42/1008008342.db2.gz CFSBAWJTQUYOOL-NRFANRHFSA-N 1 0 410.562 3.696 20 30 HHEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000517968445 1008076847 /nfs/dbraw/zinc/07/68/47/1008076847.db2.gz LOVIZAHGTPXZQZ-UHFFFAOYSA-N 1 0 415.607 3.830 20 30 HHEDRO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1Br ZINC000533852590 1008157953 /nfs/dbraw/zinc/15/79/53/1008157953.db2.gz IECPYHDXDDJXDI-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900352 1008172892 /nfs/dbraw/zinc/17/28/92/1008172892.db2.gz WYPINPFVNWUPAZ-GPXOXTDOSA-N 1 0 405.542 3.821 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)[NH+](C)C ZINC000518233429 1008218086 /nfs/dbraw/zinc/21/80/86/1008218086.db2.gz WFOSTCQKLKHFGX-FHJLPGHOSA-N 1 0 408.521 3.640 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000518296893 1008246583 /nfs/dbraw/zinc/24/65/83/1008246583.db2.gz DFOHOLIAMISWLT-QHCPKHFHSA-N 1 0 412.578 3.761 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540082026 1008277587 /nfs/dbraw/zinc/27/75/87/1008277587.db2.gz JSAVLNRMDQNELX-XZOQPEGZSA-N 1 0 403.530 3.779 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000518441765 1008308218 /nfs/dbraw/zinc/30/82/18/1008308218.db2.gz IOSZPLMJEXULHH-FQEVSTJZSA-N 1 0 422.976 3.783 20 30 HHEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000540181816 1008325847 /nfs/dbraw/zinc/32/58/47/1008325847.db2.gz ZRWJSOVGFQARNC-YQHFOJDRSA-N 1 0 413.543 3.971 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2=O)c1 ZINC000540185420 1008327048 /nfs/dbraw/zinc/32/70/48/1008327048.db2.gz MMJMBGARTUTKBJ-UXVFNKRRSA-N 1 0 419.525 3.803 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)CC1 ZINC000518496784 1008328227 /nfs/dbraw/zinc/32/82/27/1008328227.db2.gz FJSLTVZGZPNFMZ-UHFFFAOYSA-N 1 0 418.541 3.992 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000518496162 1008328266 /nfs/dbraw/zinc/32/82/66/1008328266.db2.gz LUIWGYVZULWZNJ-HDICACEKSA-N 1 0 414.550 3.847 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)c2)CC1 ZINC000540198376 1008332484 /nfs/dbraw/zinc/33/24/84/1008332484.db2.gz ZNZPNJQSIYEZIV-UHFFFAOYSA-N 1 0 424.548 3.903 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1)CC(C)C ZINC000540213365 1008338690 /nfs/dbraw/zinc/33/86/90/1008338690.db2.gz KKZMICOAWADMEZ-UHFFFAOYSA-N 1 0 413.534 3.605 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC3(CCC[N@H+]3C)CC2)c1C#N ZINC000540296509 1008371301 /nfs/dbraw/zinc/37/13/01/1008371301.db2.gz AFVUXPWFAQFCPE-UHFFFAOYSA-N 1 0 419.573 3.524 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCC[NH+]3CCCCCC3)cc2)c1 ZINC000518748757 1008412941 /nfs/dbraw/zinc/41/29/41/1008412941.db2.gz AGYFPPBXLGSPEP-UHFFFAOYSA-N 1 0 420.513 3.671 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000518750421 1008413486 /nfs/dbraw/zinc/41/34/86/1008413486.db2.gz NRWWHUHJLMMMFP-IRXDYDNUSA-N 1 0 416.591 3.646 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518751262 1008414023 /nfs/dbraw/zinc/41/40/23/1008414023.db2.gz MIXHVWXYFLCBQR-MSOLQXFVSA-N 1 0 420.513 3.526 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)cc1OC ZINC000518762259 1008415872 /nfs/dbraw/zinc/41/58/72/1008415872.db2.gz KDEAZYHGFLOORB-UHFFFAOYSA-N 1 0 408.542 3.973 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000540428872 1008429597 /nfs/dbraw/zinc/42/95/97/1008429597.db2.gz ATXBNMCQXNFVNH-QGZVFWFLSA-N 1 0 409.408 3.921 20 30 HHEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000540458312 1008440069 /nfs/dbraw/zinc/44/00/69/1008440069.db2.gz NVKXGPDCFVNNTJ-NOZRDPDXSA-N 1 0 405.542 3.994 20 30 HHEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000519051483 1008511664 /nfs/dbraw/zinc/51/16/64/1008511664.db2.gz GWHKJORMSROLSX-QZTJIDSGSA-N 1 0 408.502 3.971 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccsc1 ZINC000542960074 1008531622 /nfs/dbraw/zinc/53/16/22/1008531622.db2.gz LGSKFIAQIFZXRW-QGZVFWFLSA-N 1 0 414.922 3.883 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549116360 1008683024 /nfs/dbraw/zinc/68/30/24/1008683024.db2.gz NBLWHSWXWQMPTJ-CTNGQTDRSA-N 1 0 400.885 3.714 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549117259 1008683891 /nfs/dbraw/zinc/68/38/91/1008683891.db2.gz VSDDYMITKNZCRV-AZUAARDMSA-N 1 0 408.949 3.745 20 30 HHEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000549165306 1008736536 /nfs/dbraw/zinc/73/65/36/1008736536.db2.gz KGEYBDAOYLEFKP-WMZHIEFXSA-N 1 0 422.960 3.685 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549260251 1008830622 /nfs/dbraw/zinc/83/06/22/1008830622.db2.gz AXRZCESOVWSXCX-WOJBJXKFSA-N 1 0 424.593 3.632 20 30 HHEDRO Cc1cc(Cl)c2ncc(C#N)c(NCc3cccc(C(=O)NCC[NH+](C)C)c3)c2c1 ZINC000549260780 1008831418 /nfs/dbraw/zinc/83/14/18/1008831418.db2.gz JASAPFPYNMEAQR-UHFFFAOYSA-N 1 0 421.932 3.972 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549279489 1008849525 /nfs/dbraw/zinc/84/95/25/1008849525.db2.gz KIVJLOQWKYWEEW-DNVJHFABSA-N 1 0 421.589 3.849 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000543352466 1008939332 /nfs/dbraw/zinc/93/93/32/1008939332.db2.gz SSZAWJHOEHYXDH-SFHVURJKSA-N 1 0 414.531 3.604 20 30 HHEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000519794547 1009012479 /nfs/dbraw/zinc/01/24/79/1009012479.db2.gz PDDDLEJPCJNCCK-UHFFFAOYSA-N 1 0 423.517 3.756 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000543447879 1009034269 /nfs/dbraw/zinc/03/42/69/1009034269.db2.gz DEJWDEMJMHNBLV-UWJYYQICSA-N 1 0 407.493 3.514 20 30 HHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CC(=O)N(CCC#N)c3ccccc3)CCN2C2CC2)c1 ZINC000549468178 1009061431 /nfs/dbraw/zinc/06/14/31/1009061431.db2.gz IMRZAXQBJRTNGM-ZCYQVOJMSA-N 1 0 418.541 3.509 20 30 HHEDRO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000519908920 1009069346 /nfs/dbraw/zinc/06/93/46/1009069346.db2.gz XOZWGYJJCNHPQC-UHFFFAOYSA-N 1 0 409.530 3.692 20 30 HHEDRO N#Cc1cccc(CNC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000519907786 1009069925 /nfs/dbraw/zinc/06/99/25/1009069925.db2.gz DYXWMPYNWZTGQT-UHFFFAOYSA-N 1 0 424.548 3.582 20 30 HHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C2CC2)c1 ZINC000549476301 1009072955 /nfs/dbraw/zinc/07/29/55/1009072955.db2.gz MJMRVEBLBSPECR-FYYLOGMGSA-N 1 0 424.932 3.726 20 30 HHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000549476182 1009073105 /nfs/dbraw/zinc/07/31/05/1009073105.db2.gz JVYCXENRJZWAGR-YADHBBJMSA-N 1 0 413.468 3.937 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549476747 1009074464 /nfs/dbraw/zinc/07/44/64/1009074464.db2.gz HDQKDWHKLZMMEK-QFIXIFRTSA-N 1 0 422.976 3.991 20 30 HHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)CCN2C2CC2)c1 ZINC000549478080 1009075689 /nfs/dbraw/zinc/07/56/89/1009075689.db2.gz PAHVRRXMPSRVIJ-JTHBVZDNSA-N 1 0 415.497 3.684 20 30 HHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 ZINC000549481228 1009081135 /nfs/dbraw/zinc/08/11/35/1009081135.db2.gz NPXJHIOVDZZFNJ-JOCHJYFZSA-N 1 0 422.577 3.552 20 30 HHEDRO COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000543493036 1009082539 /nfs/dbraw/zinc/08/25/39/1009082539.db2.gz XXUKBDWNSGWAOB-NRFANRHFSA-N 1 0 417.513 3.548 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520004709 1009159286 /nfs/dbraw/zinc/15/92/86/1009159286.db2.gz YJUYWLUVTUSWGE-MSOLQXFVSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520008081 1009162013 /nfs/dbraw/zinc/16/20/13/1009162013.db2.gz UUHHECQELGCBLL-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549647029 1009274847 /nfs/dbraw/zinc/27/48/47/1009274847.db2.gz MYBZAECIYKOYAF-UHFFFAOYSA-N 1 0 409.534 3.705 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000549697411 1009327132 /nfs/dbraw/zinc/32/71/32/1009327132.db2.gz CECSIOGGUHFAEH-LJQANCHMSA-N 1 0 411.598 3.736 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000549705674 1009335965 /nfs/dbraw/zinc/33/59/65/1009335965.db2.gz LMYCNNCPQFAVDS-UHFFFAOYSA-N 1 0 412.541 3.758 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549734456 1009357433 /nfs/dbraw/zinc/35/74/33/1009357433.db2.gz BLVVFXABLRECDK-PMACEKPBSA-N 1 0 424.593 3.550 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549734266 1009357715 /nfs/dbraw/zinc/35/77/15/1009357715.db2.gz ZIJUOSUHNGQIJD-SFHVURJKSA-N 1 0 401.530 3.740 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(-n2cccn2)c(F)c1 ZINC000549830117 1009440375 /nfs/dbraw/zinc/44/03/75/1009440375.db2.gz OWKCJMJUBBSMEU-MSOLQXFVSA-N 1 0 405.477 3.997 20 30 HHEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(Cc4cccc(C#N)c4)n3)cc2Cl)CC1 ZINC000546482600 1009502045 /nfs/dbraw/zinc/50/20/45/1009502045.db2.gz OTLUXERKICDGTP-UHFFFAOYSA-N 1 0 407.905 3.994 20 30 HHEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000543920963 1009512212 /nfs/dbraw/zinc/51/22/12/1009512212.db2.gz VDRMDMRVNOBAPN-UHFFFAOYSA-N 1 0 404.942 3.511 20 30 HHEDRO Cc1nc(SCC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000520494757 1009591641 /nfs/dbraw/zinc/59/16/41/1009591641.db2.gz UVKRMXVEZXCIMW-UHFFFAOYSA-N 1 0 422.598 3.924 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000546752886 1009720458 /nfs/dbraw/zinc/72/04/58/1009720458.db2.gz GNCJVXHENDAZDS-PKTZIBPZSA-N 1 0 424.520 3.691 20 30 HHEDRO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188963 1009791370 /nfs/dbraw/zinc/79/13/70/1009791370.db2.gz JVZCYCLDHIWBGW-IFMALSPDSA-N 1 0 422.598 3.563 20 30 HHEDRO CS[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H]1[NH+](C)C ZINC000546851803 1009813029 /nfs/dbraw/zinc/81/30/29/1009813029.db2.gz RSWMXLJUOTYVNU-PXNSSMCTSA-N 1 0 414.506 3.999 20 30 HHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000550274586 1009824922 /nfs/dbraw/zinc/82/49/22/1009824922.db2.gz KDWAAPWHZZLURF-UHFFFAOYSA-N 1 0 401.869 3.671 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CC1 ZINC000520986748 1010027231 /nfs/dbraw/zinc/02/72/31/1010027231.db2.gz DDMKDDXBFKAVRX-UHFFFAOYSA-N 1 0 413.909 3.759 20 30 HHEDRO N#CC1(NC(=O)C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CCCCC1 ZINC000544407747 1010027810 /nfs/dbraw/zinc/02/78/10/1010027810.db2.gz NDEGDCXAGGXRFI-OAQYLSRUSA-N 1 0 419.504 3.849 20 30 HHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(C)o1 ZINC000544452440 1010074718 /nfs/dbraw/zinc/07/47/18/1010074718.db2.gz RHTAORPHENKVAS-HXUWFJFHSA-N 1 0 424.501 3.825 20 30 HHEDRO C[C@@](O)(C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)C(F)(F)F ZINC000547345005 1010262990 /nfs/dbraw/zinc/26/29/90/1010262990.db2.gz GVXWKGBJJBNGNA-QGZVFWFLSA-N 1 0 403.832 3.566 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1C ZINC000521309108 1010294950 /nfs/dbraw/zinc/29/49/50/1010294950.db2.gz QJSKAWFWXHDZQA-UHFFFAOYSA-N 1 0 415.541 3.942 20 30 HHEDRO COc1cc(C#N)ccc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000547417927 1010296071 /nfs/dbraw/zinc/29/60/71/1010296071.db2.gz VHWQXSMBPDKAPN-FQEVSTJZSA-N 1 0 403.404 3.960 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000521600240 1010497220 /nfs/dbraw/zinc/49/72/20/1010497220.db2.gz HICVQSFOTOWNCL-JOCHJYFZSA-N 1 0 423.557 3.937 20 30 HHEDRO COc1cc(-c2noc([C@H](C)Oc3ccccc3C#N)n2)ccc1OCC[NH+](C)C ZINC000544955370 1010517693 /nfs/dbraw/zinc/51/76/93/1010517693.db2.gz OBEXYYTVJZSRDZ-HNNXBMFYSA-N 1 0 408.458 3.697 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CC1 ZINC000521655457 1010528020 /nfs/dbraw/zinc/52/80/20/1010528020.db2.gz FVGDFPUPOXXELU-UHFFFAOYSA-N 1 0 410.493 3.779 20 30 HHEDRO N#Cc1cccc(OC2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000551385175 1010552684 /nfs/dbraw/zinc/55/26/84/1010552684.db2.gz GXFKIJYTIQOMQX-RUZDIDTESA-N 1 0 405.542 3.693 20 30 HHEDRO N#Cc1cc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1OCC(F)(F)F ZINC000521698320 1010559043 /nfs/dbraw/zinc/55/90/43/1010559043.db2.gz HYZDBJGIVRYTTO-KRWDZBQOSA-N 1 0 410.440 3.982 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000521810559 1010634853 /nfs/dbraw/zinc/63/48/53/1010634853.db2.gz UMTILBCRKXNMKW-GOSISDBHSA-N 1 0 403.596 3.620 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000521847290 1010656913 /nfs/dbraw/zinc/65/69/13/1010656913.db2.gz LLHZUGSCHNUBRV-JOCHJYFZSA-N 1 0 402.494 3.995 20 30 HHEDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(C#N)c(F)c1 ZINC000551567123 1010666589 /nfs/dbraw/zinc/66/65/89/1010666589.db2.gz OZROJLKERKYTND-FATZIPQQSA-N 1 0 406.461 3.773 20 30 HHEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC3 ZINC000545191909 1010678891 /nfs/dbraw/zinc/67/88/91/1010678891.db2.gz XRHLOEPOZLNLKL-OSPHWJPCSA-N 1 0 414.509 3.691 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1Br ZINC000521890746 1010689553 /nfs/dbraw/zinc/68/95/53/1010689553.db2.gz LFBLVNBGKPEZJR-UHFFFAOYSA-N 1 0 415.335 3.594 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@H]1c1cccs1 ZINC000548906531 1010756612 /nfs/dbraw/zinc/75/66/12/1010756612.db2.gz PXWWURRNRILJMO-NQIIRXRSSA-N 1 0 423.586 3.793 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548930468 1010765601 /nfs/dbraw/zinc/76/56/01/1010765601.db2.gz BXJSXKTYGGOAIT-DNQXCXABSA-N 1 0 416.569 3.944 20 30 HHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000522031194 1010765907 /nfs/dbraw/zinc/76/59/07/1010765907.db2.gz BWMNMCABVCXYSX-SFHVURJKSA-N 1 0 422.529 3.834 20 30 HHEDRO COC(=O)CC1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCC1 ZINC000548933134 1010767778 /nfs/dbraw/zinc/76/77/78/1010767778.db2.gz OZWITPMXZHBVQZ-UHFFFAOYSA-N 1 0 403.548 3.683 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000522430728 1011005710 /nfs/dbraw/zinc/00/57/10/1011005710.db2.gz FTZIUOBGFIIUSU-ZWKOTPCHSA-N 1 0 423.536 3.961 20 30 HHEDRO COCC[N@@H+]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000522651621 1011138366 /nfs/dbraw/zinc/13/83/66/1011138366.db2.gz AWCCLJITDQDBOI-UHFFFAOYSA-N 1 0 413.905 3.798 20 30 HHEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000540592862 1011249855 /nfs/dbraw/zinc/24/98/55/1011249855.db2.gz RXRNUEOUKKMXAE-FQEVSTJZSA-N 1 0 404.507 3.554 20 30 HHEDRO CC[N@H+](CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C(C)C ZINC000523013667 1011474356 /nfs/dbraw/zinc/47/43/56/1011474356.db2.gz HJXQOOGRLBCMKV-UHFFFAOYSA-N 1 0 404.565 3.554 20 30 HHEDRO Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nn1CCC#N ZINC000540815547 1011476403 /nfs/dbraw/zinc/47/64/03/1011476403.db2.gz HYAOTAYMBUVCHE-QHCPKHFHSA-N 1 0 406.534 3.625 20 30 HHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCSc1ccnc2cc(Cl)ccc21 ZINC000540911253 1011580786 /nfs/dbraw/zinc/58/07/86/1011580786.db2.gz NHBIHOFSMZJGHN-UHFFFAOYSA-N 1 0 400.939 3.722 20 30 HHEDRO N#CCC1CC[NH+](CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000541024374 1011659120 /nfs/dbraw/zinc/65/91/20/1011659120.db2.gz XDFZFGSGEQCJKY-UHFFFAOYSA-N 1 0 416.569 3.546 20 30 HHEDRO C[C@@H](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@H+](C)Cc1ccccc1 ZINC000541101197 1011747725 /nfs/dbraw/zinc/74/77/25/1011747725.db2.gz MULNCPWPKANAPK-KRWDZBQOSA-N 1 0 420.492 3.915 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 ZINC000541104125 1011750782 /nfs/dbraw/zinc/75/07/82/1011750782.db2.gz XHSJODQNWSCYRF-UHFFFAOYSA-N 1 0 408.893 3.781 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)[NH+](C)C)c1 ZINC000523286546 1011766688 /nfs/dbraw/zinc/76/66/88/1011766688.db2.gz AAEAIKVHWGSQKX-JOCHJYFZSA-N 1 0 419.481 3.772 20 30 HHEDRO COc1cc2c(cc1C[NH+]1CCC(C(=O)Nc3cccc(C#N)c3)CC1)O[C@H](C)C2 ZINC000536653485 1011802687 /nfs/dbraw/zinc/80/26/87/1011802687.db2.gz ZGVZGIYFHWUOPS-MRXNPFEDSA-N 1 0 405.498 3.741 20 30 HHEDRO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)ccc1OCC(F)(F)F ZINC000523337344 1011812756 /nfs/dbraw/zinc/81/27/56/1011812756.db2.gz VGFDGLSUSQDGPC-MRXNPFEDSA-N 1 0 418.419 3.745 20 30 HHEDRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000536745657 1011931507 /nfs/dbraw/zinc/93/15/07/1011931507.db2.gz FBPRNQPUTBKPPH-HSZRJFAPSA-N 1 0 413.525 3.913 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000551846001 1012001317 /nfs/dbraw/zinc/00/13/17/1012001317.db2.gz JFOKJTQVJKJBDJ-HUUCEWRRSA-N 1 0 416.447 3.858 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000523525246 1012052535 /nfs/dbraw/zinc/05/25/35/1012052535.db2.gz VVGDTJJINBWQOK-UHFFFAOYSA-N 1 0 420.435 3.669 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000552145605 1012167023 /nfs/dbraw/zinc/16/70/23/1012167023.db2.gz VYXBOISMHUQQOY-UZLBHIALSA-N 1 0 409.313 3.512 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552211012 1012223711 /nfs/dbraw/zinc/22/37/11/1012223711.db2.gz FRLGDXMRLJGUIZ-HXUWFJFHSA-N 1 0 424.495 3.623 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000523666845 1012261728 /nfs/dbraw/zinc/26/17/28/1012261728.db2.gz BXSUKENREPQLGR-JOCHJYFZSA-N 1 0 418.541 3.747 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)CC2)cc1 ZINC000552252740 1012262990 /nfs/dbraw/zinc/26/29/90/1012262990.db2.gz VNHYUSLFPBLTEO-UHFFFAOYSA-N 1 0 419.525 3.594 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000541492793 1012267806 /nfs/dbraw/zinc/26/78/06/1012267806.db2.gz VNUDMDHRBYRRMS-UHFFFAOYSA-N 1 0 422.529 3.891 20 30 HHEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)cc(OC)c1OC ZINC000537022948 1012329414 /nfs/dbraw/zinc/32/94/14/1012329414.db2.gz FBTKKAVUEANXRI-IAGOWNOFSA-N 1 0 411.502 3.698 20 30 HHEDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000537028158 1012339421 /nfs/dbraw/zinc/33/94/21/1012339421.db2.gz JSMWRMAWZODTNQ-NRFANRHFSA-N 1 0 415.921 3.617 20 30 HHEDRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000541599870 1012394039 /nfs/dbraw/zinc/39/40/39/1012394039.db2.gz RJYJDTRKWWCASI-FHWLQOOXSA-N 1 0 400.542 3.703 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000537077168 1012422659 /nfs/dbraw/zinc/42/26/59/1012422659.db2.gz GKORKYGALCSVTH-MWTRTKDXSA-N 1 0 410.493 3.783 20 30 HHEDRO C[C@@H](Cn1ccc2ccccc21)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000552426595 1012445239 /nfs/dbraw/zinc/44/52/39/1012445239.db2.gz RNTICOCBLHHTCX-FQEVSTJZSA-N 1 0 400.526 3.952 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000537108200 1012479164 /nfs/dbraw/zinc/47/91/64/1012479164.db2.gz IRCHIBFHZPNZJG-PYQXHLOTSA-N 1 0 410.562 3.783 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000523864273 1012560538 /nfs/dbraw/zinc/56/05/38/1012560538.db2.gz LASVUUJFRYTRKN-HNNXBMFYSA-N 1 0 403.935 3.716 20 30 HHEDRO C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1cccc2ccccc21 ZINC000537161618 1012561264 /nfs/dbraw/zinc/56/12/64/1012561264.db2.gz QSLZOAHGFLZSES-JOCHJYFZSA-N 1 0 418.566 3.742 20 30 HHEDRO CC(C)[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000537173076 1012578854 /nfs/dbraw/zinc/57/88/54/1012578854.db2.gz ZWGKAQHTJJVDQB-VWNXMTODSA-N 1 0 408.521 3.521 20 30 HHEDRO C[C@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000523905277 1012619180 /nfs/dbraw/zinc/61/91/80/1012619180.db2.gz MADGKVZBUHTMRM-IRXDYDNUSA-N 1 0 409.509 3.571 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OCC(F)(F)F)c(F)c3)C2=O)cc1 ZINC000541763650 1012628180 /nfs/dbraw/zinc/62/81/80/1012628180.db2.gz RJFOWWRAIPXISX-GOSISDBHSA-N 1 0 421.394 3.924 20 30 HHEDRO C=CCOc1ccc(CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc1 ZINC000552706326 1012716917 /nfs/dbraw/zinc/71/69/17/1012716917.db2.gz DFLJACMTIVJXJM-UHFFFAOYSA-N 1 0 404.514 3.607 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)C2)c(F)c1 ZINC000552707793 1012718947 /nfs/dbraw/zinc/71/89/47/1012718947.db2.gz RZLFQRHSIIIGLZ-PXNSSMCTSA-N 1 0 412.534 3.538 20 30 HHEDRO CC(C)C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537287648 1012743855 /nfs/dbraw/zinc/74/38/55/1012743855.db2.gz GMJMHYCOEXUKPY-LEWJYISDSA-N 1 0 410.587 3.834 20 30 HHEDRO COc1ccc([C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N2CCCC2)cc1 ZINC000537296648 1012753729 /nfs/dbraw/zinc/75/37/29/1012753729.db2.gz DPSDSUFWECJWDD-SANMLTNESA-N 1 0 418.585 3.958 20 30 HHEDRO N#Cc1ccc(CCC(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000524055404 1012810430 /nfs/dbraw/zinc/81/04/30/1012810430.db2.gz PAWSZISOQNNMRC-UHFFFAOYSA-N 1 0 411.933 3.804 20 30 HHEDRO C[C@H]1CCC[N@H+](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552814776 1012822887 /nfs/dbraw/zinc/82/28/87/1012822887.db2.gz KWJAPFUAYKLVQW-KRWDZBQOSA-N 1 0 402.970 3.666 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541973584 1012839874 /nfs/dbraw/zinc/83/98/74/1012839874.db2.gz XPTMNSSZJRXTQF-PXNSSMCTSA-N 1 0 424.570 3.827 20 30 HHEDRO CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542029555 1012925650 /nfs/dbraw/zinc/92/56/50/1012925650.db2.gz YUVSUCIGSVMRHA-LJQANCHMSA-N 1 0 418.476 3.621 20 30 HHEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542029049 1012925742 /nfs/dbraw/zinc/92/57/42/1012925742.db2.gz YIPZUTCUYGESDP-RDJZCZTQSA-N 1 0 410.497 3.658 20 30 HHEDRO C[NH+](C)CCN(C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C1CCCC1 ZINC000542034747 1012933834 /nfs/dbraw/zinc/93/38/34/1012933834.db2.gz IUJRNFAMGQBQTM-UHFFFAOYSA-N 1 0 400.914 3.735 20 30 HHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)c2ccc(C#N)cc2F)CCCC1)c1ccccc1 ZINC000524149169 1012935919 /nfs/dbraw/zinc/93/59/19/1012935919.db2.gz DHGHCJBZFIEBBI-INIZCTEOSA-N 1 0 401.507 3.639 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000542036291 1012936095 /nfs/dbraw/zinc/93/60/95/1012936095.db2.gz MFFWXOSPDHSUCC-SFHVURJKSA-N 1 0 424.892 3.949 20 30 HHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000542036465 1012936433 /nfs/dbraw/zinc/93/64/33/1012936433.db2.gz CHYZCEJNNCLCIV-UHFFFAOYSA-N 1 0 420.904 3.956 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)c(F)c1 ZINC000552952452 1012938901 /nfs/dbraw/zinc/93/89/01/1012938901.db2.gz IMXNBTWGALMECE-LEWJYISDSA-N 1 0 412.553 3.638 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)c(F)c1 ZINC000552952455 1012938958 /nfs/dbraw/zinc/93/89/58/1012938958.db2.gz IMXNBTWGALMECE-SFTDATJTSA-N 1 0 412.553 3.638 20 30 HHEDRO CC(C)C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[NH+](C)C ZINC000552988241 1012965932 /nfs/dbraw/zinc/96/59/32/1012965932.db2.gz QRGLHYKQKIOJRI-IBGZPJMESA-N 1 0 404.986 3.911 20 30 HHEDRO CC1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553030758 1013006621 /nfs/dbraw/zinc/00/66/21/1013006621.db2.gz QIDOGFGVTUUIBY-SFHVURJKSA-N 1 0 414.981 3.762 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)NC(C)(C)C)cc1 ZINC000729668936 1071784023 /nfs/dbraw/zinc/78/40/23/1071784023.db2.gz ATPNZQCLYRVNSY-UHFFFAOYSA-O 1 0 403.524 3.633 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccc(C)cc2)c1 ZINC000729668289 1071786041 /nfs/dbraw/zinc/78/60/41/1071786041.db2.gz GIJUAZGOODRNEL-UHFFFAOYSA-O 1 0 413.450 3.852 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)NCc2ccccc2)cc1 ZINC000729668343 1071786102 /nfs/dbraw/zinc/78/61/02/1071786102.db2.gz HSWPZUOAPQMEMX-UHFFFAOYSA-O 1 0 423.514 3.645 20 30 HHEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC001126744096 1071846345 /nfs/dbraw/zinc/84/63/45/1071846345.db2.gz MHUCBVCJAHNMOI-GOTSBHOMSA-N 1 0 416.481 3.725 20 30 HHEDRO CCc1ccc([C@H](CNS(=O)(=O)Cc2csc(C#N)c2)[NH+](CC)CC)cc1 ZINC001212021073 1071901386 /nfs/dbraw/zinc/90/13/86/1071901386.db2.gz JHRGICDDUJLFGQ-FQEVSTJZSA-N 1 0 405.589 3.685 20 30 HHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000611390824 1072094652 /nfs/dbraw/zinc/09/46/52/1072094652.db2.gz UHOIZFOROPSQGF-QFIPXVFZSA-N 1 0 409.555 3.900 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1SCc1occc1C(=O)OC ZINC000729811827 1072121255 /nfs/dbraw/zinc/12/12/55/1072121255.db2.gz CZGCHZPXSVZPBK-MRXNPFEDSA-N 1 0 413.495 3.613 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000729808393 1072124294 /nfs/dbraw/zinc/12/42/94/1072124294.db2.gz AZCFNUFVQTXXGD-TZMCWYRMSA-N 1 0 400.700 3.511 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN2CCc3ccsc3C2)c1=S ZINC000760288112 1072187775 /nfs/dbraw/zinc/18/77/75/1072187775.db2.gz GDNRPHUKPMUZHT-UHFFFAOYSA-N 1 0 403.621 3.706 20 30 HHEDRO COc1ccc(CNC(NCc2nnc(-c3ccc(OC)cc3)[nH]2)=[NH+]C(C)(C)C)cc1 ZINC000912507936 1072243966 /nfs/dbraw/zinc/24/39/66/1072243966.db2.gz HVLMIHDDWHLWBW-UHFFFAOYSA-N 1 0 422.533 3.523 20 30 HHEDRO C=CCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccccc1CC ZINC000912775572 1072281744 /nfs/dbraw/zinc/28/17/44/1072281744.db2.gz UCYKPOQUQODLMW-UHFFFAOYSA-O 1 0 408.547 3.650 20 30 HHEDRO CCC1(CNC(=O)Cc2cccc(OCC#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000760404129 1072328004 /nfs/dbraw/zinc/32/80/04/1072328004.db2.gz ATRQYIBILJUSRS-UHFFFAOYSA-N 1 0 405.542 3.940 20 30 HHEDRO C=CCOc1ccccc1C(=O)O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000913367941 1072382645 /nfs/dbraw/zinc/38/26/45/1072382645.db2.gz GVTFRWOMTWZWBV-IBGZPJMESA-N 1 0 422.525 3.578 20 30 HHEDRO N#Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1Cl ZINC000586815451 1072434730 /nfs/dbraw/zinc/43/47/30/1072434730.db2.gz ZGYOYBRVPJTGJW-GOSISDBHSA-N 1 0 403.860 3.985 20 30 HHEDRO CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(F)(F)F)[NH+]1CCCC1 ZINC001691579204 1072478351 /nfs/dbraw/zinc/47/83/51/1072478351.db2.gz BCZUTUMGQMBLBI-SFHVURJKSA-N 1 0 420.483 3.936 20 30 HHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000586872985 1072497673 /nfs/dbraw/zinc/49/76/73/1072497673.db2.gz CCSFGFKFVMEALJ-QFIPXVFZSA-N 1 0 420.532 3.567 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@H](C[NH+]3CCCCC3)c3ccccc3)C2)c(F)c1 ZINC000587121350 1072512211 /nfs/dbraw/zinc/51/22/11/1072512211.db2.gz UQATYCXPJJDRFZ-JTHBVZDNSA-N 1 0 420.532 3.867 20 30 HHEDRO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001691605295 1072519844 /nfs/dbraw/zinc/51/98/44/1072519844.db2.gz RAJVYFVACJINEH-FGZHOGPDSA-N 1 0 422.577 3.758 20 30 HHEDRO C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000587483672 1072581218 /nfs/dbraw/zinc/58/12/18/1072581218.db2.gz HIWVHDIYIZVSJD-INIZCTEOSA-N 1 0 402.970 3.665 20 30 HHEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000571464147 1072626794 /nfs/dbraw/zinc/62/67/94/1072626794.db2.gz KNXJQPSQJPCAJG-UHFFFAOYSA-N 1 0 413.566 3.608 20 30 HHEDRO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000554931541 1072964570 /nfs/dbraw/zinc/96/45/70/1072964570.db2.gz ZOTVABWSELTQAF-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[NH2+][C@H](C)c1ccccc1 ZINC000555031085 1073091526 /nfs/dbraw/zinc/09/15/26/1073091526.db2.gz XJIFCZIJTXJQKI-UZLBHIALSA-N 1 0 410.493 3.518 20 30 HHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000555105806 1073158241 /nfs/dbraw/zinc/15/82/41/1073158241.db2.gz FOWFOCGLBDXACE-QFIPXVFZSA-N 1 0 409.505 3.585 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000555129187 1073180397 /nfs/dbraw/zinc/18/03/97/1073180397.db2.gz KRCRYDMNBFAXIE-RBBKRZOGSA-N 1 0 418.532 3.763 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555240521 1073284458 /nfs/dbraw/zinc/28/44/58/1073284458.db2.gz LGGZNRWEXYNUHE-GOSISDBHSA-N 1 0 411.550 3.603 20 30 HHEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000555262568 1073295346 /nfs/dbraw/zinc/29/53/46/1073295346.db2.gz QYIWZEXMWNFMJU-LEWJYISDSA-N 1 0 419.614 3.527 20 30 HHEDRO C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000555265629 1073298206 /nfs/dbraw/zinc/29/82/06/1073298206.db2.gz NRNMIJVVXKSRAU-HXUWFJFHSA-N 1 0 424.593 3.891 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555268107 1073299890 /nfs/dbraw/zinc/29/98/90/1073299890.db2.gz GOIWXDOIUQENFI-SFHVURJKSA-N 1 0 411.550 3.603 20 30 HHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000555268323 1073301027 /nfs/dbraw/zinc/30/10/27/1073301027.db2.gz KABJCGKSGNGPDE-NRFANRHFSA-N 1 0 401.599 3.526 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1 ZINC000588972023 1073365466 /nfs/dbraw/zinc/36/54/66/1073365466.db2.gz XEIADCQPXMQYFY-QGZVFWFLSA-N 1 0 407.495 3.870 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000589960603 1073403844 /nfs/dbraw/zinc/40/38/44/1073403844.db2.gz JUWDBLZIGDGNRP-HXUWFJFHSA-N 1 0 404.432 3.686 20 30 HHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000590153509 1073595093 /nfs/dbraw/zinc/59/50/93/1073595093.db2.gz HLEOBEQZGFTRDQ-UHFFFAOYSA-N 1 0 402.420 3.629 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCc4cccc(Br)c4C3)CC2)nc1 ZINC000590183792 1073628475 /nfs/dbraw/zinc/62/84/75/1073628475.db2.gz SFEUSLQRUIZUCO-SFHVURJKSA-N 1 0 411.347 3.832 20 30 HHEDRO N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000590186686 1073632081 /nfs/dbraw/zinc/63/20/81/1073632081.db2.gz OSHOFPFNGOUREL-INIZCTEOSA-N 1 0 402.420 3.614 20 30 HHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1n1cccn1 ZINC000555648766 1073704351 /nfs/dbraw/zinc/70/43/51/1073704351.db2.gz WOEBNLSYSGLOGC-RBZQAINGSA-N 1 0 402.498 3.842 20 30 HHEDRO C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000590541853 1073885885 /nfs/dbraw/zinc/88/58/85/1073885885.db2.gz WJABCFQHDHSDLO-NRFANRHFSA-N 1 0 417.619 3.511 20 30 HHEDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000590538122 1073914655 /nfs/dbraw/zinc/91/46/55/1073914655.db2.gz JUPCWUMMNMIFKA-JOCHJYFZSA-N 1 0 413.905 3.533 20 30 HHEDRO C[C@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000573825838 1074651596 /nfs/dbraw/zinc/65/15/96/1074651596.db2.gz UQCZNHQMTZLZLG-INIZCTEOSA-N 1 0 400.954 3.585 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000592076665 1074687741 /nfs/dbraw/zinc/68/77/41/1074687741.db2.gz WFXVHFMLVJEBHC-UHFFFAOYSA-N 1 0 401.514 3.705 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)CC1 ZINC000592080247 1074688947 /nfs/dbraw/zinc/68/89/47/1074688947.db2.gz UNHWARJAAWXXHG-OXQOHEQNSA-N 1 0 405.970 3.641 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)CC1 ZINC000592358790 1074735852 /nfs/dbraw/zinc/73/58/52/1074735852.db2.gz ABCZKGIRKOMFAL-UHFFFAOYSA-N 1 0 423.513 3.583 20 30 HHEDRO COc1cc(C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)ccc1O ZINC000760997003 1075107449 /nfs/dbraw/zinc/10/74/49/1075107449.db2.gz FQIUBJJWTKBTHC-GOSISDBHSA-N 1 0 414.465 3.602 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC000574422750 1075238582 /nfs/dbraw/zinc/23/85/82/1075238582.db2.gz BJOXBFWRPPYLRF-UHFFFAOYSA-N 1 0 421.516 3.979 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc(OC)c1OC ZINC000594298105 1075279797 /nfs/dbraw/zinc/27/97/97/1075279797.db2.gz ATOJOVKJPWLBBX-FQEVSTJZSA-N 1 0 401.551 3.592 20 30 HHEDRO C[C@H](Cc1ccccc1C(F)(F)F)N(C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000575111320 1075480111 /nfs/dbraw/zinc/48/01/11/1075480111.db2.gz HXJJIMKLDAGIRJ-OAHLLOKOSA-N 1 0 410.461 3.914 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000575205299 1075484103 /nfs/dbraw/zinc/48/41/03/1075484103.db2.gz RWBXQYRCTPEQPY-IEBWSBKVSA-N 1 0 400.542 3.540 20 30 HHEDRO N#Cc1cccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3O)CC2)n1 ZINC000761229719 1075674601 /nfs/dbraw/zinc/67/46/01/1075674601.db2.gz TZFHJNQSSLSTKR-UHFFFAOYSA-N 1 0 400.482 3.560 20 30 HHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)cc2c1Cl ZINC001164390121 718826920 /nfs/dbraw/zinc/82/69/20/718826920.db2.gz MULOCYTYWNJVLZ-HUUCEWRRSA-N 1 0 413.255 3.525 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@@H]21 ZINC001164840106 720544168 /nfs/dbraw/zinc/54/41/68/720544168.db2.gz RLHLKJZMVUJNMZ-HJNYFJLDSA-N 1 0 404.562 3.601 20 30 HHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870217 721136331 /nfs/dbraw/zinc/13/63/31/721136331.db2.gz BWAOVBJTJWVCTQ-ZWKOTPCHSA-N 1 0 419.916 3.635 20 30 HHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879428 721149396 /nfs/dbraw/zinc/14/93/96/721149396.db2.gz SDQZIVFZKZILOX-PMACEKPBSA-N 1 0 417.538 3.556 20 30 HHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5cc(F)ccc5c(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164768011 721245345 /nfs/dbraw/zinc/24/53/45/721245345.db2.gz XKTJDAWZTIDLAW-HZPDHXFCSA-N 1 0 424.911 3.591 20 30 HHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908748 721564112 /nfs/dbraw/zinc/56/41/12/721564112.db2.gz RXYXJBBSPQJLBL-DZGCQCFKSA-N 1 0 407.276 3.741 20 30 HHEDRO N#Cc1c2c(cnc1N1CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C1)CCCC2 ZINC001164913825 721736983 /nfs/dbraw/zinc/73/69/83/721736983.db2.gz YIFXZZSYWWORNU-QHCPKHFHSA-N 1 0 423.511 3.965 20 30 HHEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934313 721890825 /nfs/dbraw/zinc/89/08/25/721890825.db2.gz OSAVIURLXCTIRQ-IRXDYDNUSA-N 1 0 404.345 3.628 20 30 HHEDRO C=CCOc1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164938982 721926515 /nfs/dbraw/zinc/92/65/15/721926515.db2.gz FUNJWNZPYPFFCM-UHFFFAOYSA-N 1 0 408.546 3.530 20 30 HHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC001165056548 722013518 /nfs/dbraw/zinc/01/35/18/722013518.db2.gz VVUWKTKZAJWSKW-UHFFFAOYSA-N 1 0 422.895 3.567 20 30 HHEDRO N#Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2ccccc12 ZINC001164960752 722059175 /nfs/dbraw/zinc/05/91/75/722059175.db2.gz KKOMAANUKNSCBL-UHFFFAOYSA-N 1 0 413.525 3.620 20 30 HHEDRO N#Cc1cccc(OCC[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000537537744 1013052638 /nfs/dbraw/zinc/05/26/38/1013052638.db2.gz SHCAROKCDBHLOX-UHFFFAOYSA-N 1 0 420.431 3.905 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)cc(OC)c1 ZINC000301588599 970992765 /nfs/dbraw/zinc/99/27/65/970992765.db2.gz XQSWYVZARZZHGH-OAHLLOKOSA-N 1 0 406.408 3.676 20 30 HHEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)c2c1 ZINC000301981632 971141634 /nfs/dbraw/zinc/14/16/34/971141634.db2.gz IVGOJQWYQNWXPR-UHFFFAOYSA-N 1 0 421.589 3.644 20 30 HHEDRO N#Cc1cc(Br)ccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000302179434 971199212 /nfs/dbraw/zinc/19/92/12/971199212.db2.gz NPADXEONXBHBHC-UHFFFAOYSA-N 1 0 400.320 3.958 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1Br ZINC000302749191 971301075 /nfs/dbraw/zinc/30/10/75/971301075.db2.gz DHEUCLNDLXSBRZ-KGLIPLIRSA-N 1 0 408.340 3.839 20 30 HHEDRO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000303189260 971550789 /nfs/dbraw/zinc/55/07/89/971550789.db2.gz WEBDLFVAVQUANA-INIZCTEOSA-N 1 0 419.447 3.935 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2nnn(-c3ccc(-c4ccccc4)cc3)c2C)CC1 ZINC000303365009 971661541 /nfs/dbraw/zinc/66/15/41/971661541.db2.gz IIRIKOKBVSDSQH-UHFFFAOYSA-N 1 0 401.514 3.623 20 30 HHEDRO COc1cc(F)ccc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000303689728 971965818 /nfs/dbraw/zinc/96/58/18/971965818.db2.gz MHOPQHMKUKOLTJ-UHFFFAOYSA-N 1 0 416.884 3.510 20 30 HHEDRO C[C@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000303786173 972026955 /nfs/dbraw/zinc/02/69/55/972026955.db2.gz UCSTYYGQFVWGOB-XUZZJYLKSA-N 1 0 404.558 3.918 20 30 HHEDRO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000537592358 1013132932 /nfs/dbraw/zinc/13/29/32/1013132932.db2.gz YCMAHJWJYYEOHM-LJQANCHMSA-N 1 0 403.526 3.617 20 30 HHEDRO N#Cc1ccc([C@@H]([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C(N)=O)cc1 ZINC000542211890 1013158605 /nfs/dbraw/zinc/15/86/05/1013158605.db2.gz VFSIOUHIEQVPBW-HXUWFJFHSA-N 1 0 417.340 3.646 20 30 HHEDRO N#Cc1ccc([C@H]([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C(N)=O)cc1 ZINC000542211889 1013158628 /nfs/dbraw/zinc/15/86/28/1013158628.db2.gz VFSIOUHIEQVPBW-FQEVSTJZSA-N 1 0 417.340 3.646 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000553202998 1013163076 /nfs/dbraw/zinc/16/30/76/1013163076.db2.gz UIAVQKQKQIMUDJ-NFBKMPQASA-N 1 0 411.590 3.751 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000303862016 972403925 /nfs/dbraw/zinc/40/39/25/972403925.db2.gz MADSJUOSIZZXRK-UHFFFAOYSA-N 1 0 420.557 3.538 20 30 HHEDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)cn2)C[C@@H](C)O1 ZINC000303876471 972417469 /nfs/dbraw/zinc/41/74/69/972417469.db2.gz FBADIMMBYPKTKQ-ZIAGYGMSSA-N 1 0 423.439 3.521 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCCOc2ccccc2-c2ccccc2)cc1OC ZINC000303884004 972424750 /nfs/dbraw/zinc/42/47/50/972424750.db2.gz MMZVNHHXXNWJQB-UHFFFAOYSA-N 1 0 419.525 3.897 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000303889161 972429667 /nfs/dbraw/zinc/42/96/67/972429667.db2.gz PIBJVNLRMZGAAY-UHFFFAOYSA-N 1 0 419.525 3.930 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1OC ZINC000303892626 972432547 /nfs/dbraw/zinc/43/25/47/972432547.db2.gz NTBWWDKWXLSTOA-IBGZPJMESA-N 1 0 416.953 3.599 20 30 HHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000303897258 972435819 /nfs/dbraw/zinc/43/58/19/972435819.db2.gz QKHGPETZPKULCD-FQEVSTJZSA-N 1 0 409.578 3.651 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccn(-c3ccc(OC)cc3)n2)c1 ZINC000303899504 972436483 /nfs/dbraw/zinc/43/64/83/972436483.db2.gz WETHUCQYELZXAP-UHFFFAOYSA-N 1 0 409.490 3.605 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)cc1 ZINC000303917175 972491223 /nfs/dbraw/zinc/49/12/23/972491223.db2.gz VHZPLELNFPIJCO-IBGZPJMESA-N 1 0 420.513 3.973 20 30 HHEDRO C=CCOc1ccc(C[N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)cc1OC ZINC000537660074 1013220204 /nfs/dbraw/zinc/22/02/04/1013220204.db2.gz XJIATQKHXOHSOH-UHFFFAOYSA-N 1 0 412.530 3.990 20 30 HHEDRO C=CC[C@@H]1N(C(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCCC1(C)C ZINC000553451773 1013364343 /nfs/dbraw/zinc/36/43/43/1013364343.db2.gz WAEBNGQYKLYICC-UGKGYDQZSA-N 1 0 411.590 3.922 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)CC1 ZINC000553472307 1013379577 /nfs/dbraw/zinc/37/95/77/1013379577.db2.gz QVJVYTPMTDDHDJ-NRFANRHFSA-N 1 0 424.932 3.740 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691972 963698639 /nfs/dbraw/zinc/69/86/39/963698639.db2.gz MGHXNLBMDCSBFT-OAQYLSRUSA-O 1 0 409.575 3.733 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccccc2CC)cc1 ZINC000022691807 963698852 /nfs/dbraw/zinc/69/88/52/963698852.db2.gz DUNRSDVMKDAFGG-FQEVSTJZSA-O 1 0 413.563 3.643 20 30 HHEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2cccc(CO)c2)cc1 ZINC000022731289 963705011 /nfs/dbraw/zinc/70/50/11/963705011.db2.gz RVJHUDSBNHPJSF-UHFFFAOYSA-O 1 0 413.544 3.896 20 30 HHEDRO CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022733920 963705730 /nfs/dbraw/zinc/70/57/30/963705730.db2.gz MPBJIJDUGZNILW-UHFFFAOYSA-O 1 0 420.558 3.871 20 30 HHEDRO CCCNC(=S)C(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[n+]1ccccc1CC ZINC000022806254 963720879 /nfs/dbraw/zinc/72/08/79/963720879.db2.gz DZYPNJJPFFEJDE-UHFFFAOYSA-O 1 0 416.567 3.597 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000023468301 963830749 /nfs/dbraw/zinc/83/07/49/963830749.db2.gz LFPLMDYLONENIM-UHFFFAOYSA-N 1 0 408.571 3.645 20 30 HHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCCOC)cc1 ZINC000023604876 963859759 /nfs/dbraw/zinc/85/97/59/963859759.db2.gz TVUZMROECRPMFA-UHFFFAOYSA-O 1 0 402.584 3.997 20 30 HHEDRO O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000542549575 1013493127 /nfs/dbraw/zinc/49/31/27/1013493127.db2.gz KGPQXAOHKCYZTI-OAQYLSRUSA-N 1 0 400.444 3.784 20 30 HHEDRO C=CCc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000050859972 964411069 /nfs/dbraw/zinc/41/10/69/964411069.db2.gz AGODCPFUTURNIO-UHFFFAOYSA-N 1 0 408.542 3.961 20 30 HHEDRO N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000026021922 964420778 /nfs/dbraw/zinc/42/07/78/964420778.db2.gz XNRZEBOYRWAIRE-UHFFFAOYSA-N 1 0 406.505 3.646 20 30 HHEDRO N#Cc1ccsc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000052032837 964789331 /nfs/dbraw/zinc/78/93/31/964789331.db2.gz RLXZKZJPPITCMI-UHFFFAOYSA-N 1 0 403.511 3.589 20 30 HHEDRO N#Cc1ccsc1C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000052035035 964789995 /nfs/dbraw/zinc/78/99/95/964789995.db2.gz QIBXABYJCVRPJJ-UHFFFAOYSA-N 1 0 416.550 3.872 20 30 HHEDRO COc1ccc2c(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)coc2c1 ZINC000027241124 964828884 /nfs/dbraw/zinc/82/88/84/964828884.db2.gz SIVDQFMPNGSWPL-UHFFFAOYSA-N 1 0 403.482 3.590 20 30 HHEDRO CCC[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000052825984 964994538 /nfs/dbraw/zinc/99/45/38/964994538.db2.gz RPKLTWNAWCWBSC-UHFFFAOYSA-N 1 0 405.542 3.978 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000052993705 965037199 /nfs/dbraw/zinc/03/71/99/965037199.db2.gz GNRGTUZAQWICOB-SFHVURJKSA-N 1 0 411.889 3.972 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000053001579 965037805 /nfs/dbraw/zinc/03/78/05/965037805.db2.gz WEUSPGINVAEHJO-LJQANCHMSA-N 1 0 413.905 3.552 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000053055732 965052182 /nfs/dbraw/zinc/05/21/82/965052182.db2.gz BFYITQBEGUQQLE-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028690881 965162271 /nfs/dbraw/zinc/16/22/71/965162271.db2.gz JPDSZKPPPOMDMF-UHFFFAOYSA-N 1 0 421.589 3.695 20 30 HHEDRO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000028843557 965198785 /nfs/dbraw/zinc/19/87/85/965198785.db2.gz WHTGMLNOQWLWPR-UHFFFAOYSA-N 1 0 412.921 3.761 20 30 HHEDRO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000029050903 965250860 /nfs/dbraw/zinc/25/08/60/965250860.db2.gz BQFMAJRJEGMZCY-DEOSSOPVSA-N 1 0 420.532 3.834 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c(F)c1 ZINC000054211547 965428030 /nfs/dbraw/zinc/42/80/30/965428030.db2.gz KLEMVPISMHLKEB-HNNXBMFYSA-N 1 0 417.282 3.706 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1cccc(OC)c1 ZINC000054425309 965511488 /nfs/dbraw/zinc/51/14/88/965511488.db2.gz QNNOIYWRSMWIGW-UHFFFAOYSA-N 1 0 414.893 3.509 20 30 HHEDRO C=CCOc1ccccc1CN(C(=O)C[N@@H+](CC)C1CC1)c1ccc2c(c1)OCO2 ZINC000029913001 965558318 /nfs/dbraw/zinc/55/83/18/965558318.db2.gz IZHSKGHNQFLTDF-UHFFFAOYSA-N 1 0 408.498 3.998 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000055472004 965879679 /nfs/dbraw/zinc/87/96/79/965879679.db2.gz JWMQXMGQKRMLBU-QFIPXVFZSA-N 1 0 409.526 3.758 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000060530770 966192831 /nfs/dbraw/zinc/19/28/31/966192831.db2.gz GDHYUCKJZCLJPZ-UHFFFAOYSA-N 1 0 412.578 3.905 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000060530907 966192866 /nfs/dbraw/zinc/19/28/66/966192866.db2.gz YAEMXQOCDQUQEW-OAQYLSRUSA-N 1 0 410.518 3.536 20 30 HHEDRO C[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000056170951 966245731 /nfs/dbraw/zinc/24/57/31/966245731.db2.gz HYQDTYCYAJASIE-GOSISDBHSA-N 1 0 419.529 3.812 20 30 HHEDRO C[C@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000056215885 966262135 /nfs/dbraw/zinc/26/21/35/966262135.db2.gz MXLZYAABRVKMFQ-INIZCTEOSA-N 1 0 412.921 3.525 20 30 HHEDRO Cc1nc2ccccc2c(C)c1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000060722712 966266613 /nfs/dbraw/zinc/26/66/13/966266613.db2.gz LTBNPYCDUBKVAD-UHFFFAOYSA-N 1 0 400.526 3.856 20 30 HHEDRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C#N)CC2)cc1 ZINC000060893357 966320269 /nfs/dbraw/zinc/32/02/69/966320269.db2.gz HYKRJOVNIYAWEP-UHFFFAOYSA-N 1 0 406.486 3.512 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000056515959 966360783 /nfs/dbraw/zinc/36/07/83/966360783.db2.gz UMKFGIQNNGLFKV-UHFFFAOYSA-N 1 0 401.308 3.916 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061227995 966402469 /nfs/dbraw/zinc/40/24/69/966402469.db2.gz PTMHRJOENDIHOL-UHFFFAOYSA-N 1 0 402.542 3.917 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000056891438 966504318 /nfs/dbraw/zinc/50/43/18/966504318.db2.gz FKDZINZQHNSOQT-UHFFFAOYSA-N 1 0 419.481 3.601 20 30 HHEDRO CC(C)COc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000056957504 966531511 /nfs/dbraw/zinc/53/15/11/966531511.db2.gz LCOAKXSQNLZKRC-UHFFFAOYSA-N 1 0 408.546 3.866 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000062046039 966605977 /nfs/dbraw/zinc/60/59/77/966605977.db2.gz AAGYDSTXZOMQAW-UHFFFAOYSA-N 1 0 424.932 3.698 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000042564586 966800901 /nfs/dbraw/zinc/80/09/01/966800901.db2.gz WOUFEXZJZWITIS-HSZRJFAPSA-N 1 0 418.585 3.799 20 30 HHEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643698 966819402 /nfs/dbraw/zinc/81/94/02/966819402.db2.gz SYAAFSIRXFJCHV-SFTDATJTSA-N 1 0 404.558 3.640 20 30 HHEDRO CN(CCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cc[nH+]cc1 ZINC000542785698 1013680919 /nfs/dbraw/zinc/68/09/19/1013680919.db2.gz KWSDPTOSZXMZBJ-HSZRJFAPSA-N 1 0 400.482 3.868 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1ccc2ccccc21 ZINC000042820519 966853735 /nfs/dbraw/zinc/85/37/35/966853735.db2.gz GAIIQBHTRSKTGS-UHFFFAOYSA-N 1 0 403.530 3.676 20 30 HHEDRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000043105291 966905915 /nfs/dbraw/zinc/90/59/15/966905915.db2.gz BFHKXHNAPXNQSU-JOCHJYFZSA-N 1 0 418.545 3.905 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063789563 966958801 /nfs/dbraw/zinc/95/88/01/966958801.db2.gz XPNZPZBBQAKRNU-UHFFFAOYSA-N 1 0 420.557 3.628 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2)c1C#N ZINC000538129655 1013691412 /nfs/dbraw/zinc/69/14/12/1013691412.db2.gz KRROAKIHWSLHDY-QFIPXVFZSA-N 1 0 402.498 3.618 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000064279684 967118760 /nfs/dbraw/zinc/11/87/60/967118760.db2.gz UXOSPOBSECPLCR-UHFFFAOYSA-N 1 0 421.541 3.882 20 30 HHEDRO Cc1c(C(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000064361313 967155731 /nfs/dbraw/zinc/15/57/31/967155731.db2.gz TYSWJKROIRSLOB-UHFFFAOYSA-N 1 0 407.440 3.507 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2cccnc2)c1 ZINC000044566446 967241386 /nfs/dbraw/zinc/24/13/86/967241386.db2.gz BAZUALDEWSRJLE-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000045787394 967552571 /nfs/dbraw/zinc/55/25/71/967552571.db2.gz RDSVWNWXGJQVED-OALUTQOASA-N 1 0 406.530 3.509 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000542937639 1013771468 /nfs/dbraw/zinc/77/14/68/1013771468.db2.gz YMNPREWLHUDBJT-UONOGXRCSA-N 1 0 418.419 3.652 20 30 HHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(-n2ccnn2)cc1 ZINC000538228500 1013778551 /nfs/dbraw/zinc/77/85/51/1013778551.db2.gz YDHQKNIFNKPLCP-OAHLLOKOSA-N 1 0 420.542 3.759 20 30 HHEDRO CC(C)C[NH+]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000048125564 968442392 /nfs/dbraw/zinc/44/23/92/968442392.db2.gz UGYDNNAZWQQYFM-UHFFFAOYSA-N 1 0 405.502 3.616 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(F)c1 ZINC000048184597 968473698 /nfs/dbraw/zinc/47/36/98/968473698.db2.gz NNCSEOJZOJVKKU-FQEVSTJZSA-N 1 0 407.445 3.902 20 30 HHEDRO CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048274882 968508884 /nfs/dbraw/zinc/50/88/84/968508884.db2.gz VDXFLSGUPSYBRY-UHFFFAOYSA-N 1 0 405.502 3.565 20 30 HHEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000538280379 1013818424 /nfs/dbraw/zinc/81/84/24/1013818424.db2.gz XMDTZKUIPNSFTH-HNNXBMFYSA-N 1 0 419.403 3.741 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000065930340 968720392 /nfs/dbraw/zinc/72/03/92/968720392.db2.gz PDTMCWDLDSPZLI-UHFFFAOYSA-N 1 0 416.481 3.608 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccccc1Br ZINC000065930361 968720469 /nfs/dbraw/zinc/72/04/69/968720469.db2.gz MGKSULVIUVMVAV-UHFFFAOYSA-N 1 0 414.347 3.844 20 30 HHEDRO C=CCN(CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000065959478 968737341 /nfs/dbraw/zinc/73/73/41/968737341.db2.gz KCFHETQYMMSGDP-UHFFFAOYSA-N 1 0 405.586 3.806 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1Cl ZINC000065963340 968738295 /nfs/dbraw/zinc/73/82/95/968738295.db2.gz HYGHPDPYSRIKAM-UHFFFAOYSA-N 1 0 416.953 3.701 20 30 HHEDRO COc1ccc(-c2nc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n[nH]2)c(OC)c1 ZINC000072057799 968963838 /nfs/dbraw/zinc/96/38/38/968963838.db2.gz XDGXDVRTQAIBGF-QGZVFWFLSA-N 1 0 421.501 3.989 20 30 HHEDRO N#Cc1cccc(CS(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000078714386 969013165 /nfs/dbraw/zinc/01/31/65/969013165.db2.gz SSGBMTZMUWNBHA-UHFFFAOYSA-N 1 0 417.962 3.543 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000097059823 969086326 /nfs/dbraw/zinc/08/63/26/969086326.db2.gz NEPKZGAZLNSJIO-QGZVFWFLSA-N 1 0 409.559 3.574 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000097357756 969126285 /nfs/dbraw/zinc/12/62/85/969126285.db2.gz AITARENLBPLHCH-FQEVSTJZSA-N 1 0 403.448 3.529 20 30 HHEDRO CC(=O)c1ccc(NC(=O)[C@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000097571286 969164809 /nfs/dbraw/zinc/16/48/09/969164809.db2.gz LFSNTZRVOXBEOL-SFHVURJKSA-N 1 0 422.529 3.539 20 30 HHEDRO CCOc1ccc(NC(=O)[C@@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000097571223 969164881 /nfs/dbraw/zinc/16/48/81/969164881.db2.gz RJKJRQPMVLUBTM-GOSISDBHSA-N 1 0 424.545 3.735 20 30 HHEDRO CC(=O)c1ccc(NC(=O)[C@@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000097571288 969165344 /nfs/dbraw/zinc/16/53/44/969165344.db2.gz LFSNTZRVOXBEOL-GOSISDBHSA-N 1 0 422.529 3.539 20 30 HHEDRO CCC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000097595679 969175819 /nfs/dbraw/zinc/17/58/19/969175819.db2.gz CPUXXDUFNYZKRG-UHFFFAOYSA-N 1 0 405.502 3.806 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccccc1Cl ZINC000105278417 969228209 /nfs/dbraw/zinc/22/82/09/969228209.db2.gz KUNQOHWUMUHJOC-LJQANCHMSA-N 1 0 415.921 3.798 20 30 HHEDRO C[C@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000105491915 969241214 /nfs/dbraw/zinc/24/12/14/969241214.db2.gz XGFQLACAJSDHGD-SFHVURJKSA-N 1 0 410.949 3.597 20 30 HHEDRO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C ZINC000116401798 969891127 /nfs/dbraw/zinc/89/11/27/969891127.db2.gz FYENWRRWCXCUOJ-IBGZPJMESA-N 1 0 418.541 3.703 20 30 HHEDRO CCCN(C(=O)COc1ccc(C#N)cc1OC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000116557368 969904228 /nfs/dbraw/zinc/90/42/28/969904228.db2.gz DEMYBICACKEFIY-QFIPXVFZSA-N 1 0 421.541 3.849 20 30 HHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000195662324 969940245 /nfs/dbraw/zinc/94/02/45/969940245.db2.gz AGHJTYYYGMBHII-MBSDFSHPSA-N 1 0 415.493 3.901 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000134159696 969974084 /nfs/dbraw/zinc/97/40/84/969974084.db2.gz FOEWTGMDVNKWLK-SFHVURJKSA-O 1 0 400.568 3.579 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1Br ZINC000216243030 970067841 /nfs/dbraw/zinc/06/78/41/970067841.db2.gz VSNAUSNINOIFAZ-CQSZACIVSA-N 1 0 408.340 3.793 20 30 HHEDRO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CCOCC1 ZINC000140495139 970078684 /nfs/dbraw/zinc/07/86/84/970078684.db2.gz VKNHMPZUMYLWRY-SFHVURJKSA-N 1 0 407.514 3.540 20 30 HHEDRO CC(C)(CCC#N)C[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000236816845 970175832 /nfs/dbraw/zinc/17/58/32/970175832.db2.gz MLUOLSKXMZLVFU-UHFFFAOYSA-N 1 0 401.370 3.921 20 30 HHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)ccc1OC ZINC000236893167 970185487 /nfs/dbraw/zinc/18/54/87/970185487.db2.gz WVLRUYIMUWSGRZ-LJQANCHMSA-N 1 0 401.551 3.893 20 30 HHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc(OC)c1O ZINC000236954152 970194273 /nfs/dbraw/zinc/19/42/73/970194273.db2.gz LMJWVZAHTRNKBP-UHFFFAOYSA-N 1 0 424.541 3.922 20 30 HHEDRO COc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc(OC)c1OC ZINC000237227569 970244793 /nfs/dbraw/zinc/24/47/93/970244793.db2.gz KPQLJTWNFXLQNR-UHFFFAOYSA-N 1 0 406.486 3.779 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC ZINC000237232137 970245716 /nfs/dbraw/zinc/24/57/16/970245716.db2.gz RUMWAKMNBWGRFT-UHFFFAOYSA-N 1 0 407.514 3.520 20 30 HHEDRO C=CCN1CCC([NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000237323459 970262834 /nfs/dbraw/zinc/26/28/34/970262834.db2.gz NFSNKGUFPNHDQJ-UHFFFAOYSA-N 1 0 411.502 3.922 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc(OC)c1O ZINC000237453829 970291878 /nfs/dbraw/zinc/29/18/78/970291878.db2.gz WFDGUTLBYCUUOB-NRFANRHFSA-N 1 0 416.949 3.946 20 30 HHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237548016 970311208 /nfs/dbraw/zinc/31/12/08/970311208.db2.gz APBFOHGZPCUCTG-QRVBRYPASA-N 1 0 407.514 3.517 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000237831873 970377229 /nfs/dbraw/zinc/37/72/29/970377229.db2.gz KUBOZJRYJQHEHP-UHFFFAOYSA-N 1 0 415.541 3.586 20 30 HHEDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)N2CCOCC2)o1 ZINC000237972377 970407660 /nfs/dbraw/zinc/40/76/60/970407660.db2.gz LFRYTHIIOJZEDN-JOCHJYFZSA-N 1 0 419.529 3.528 20 30 HHEDRO O=C(NCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1N=CC=CC1=O ZINC000238099993 970440296 /nfs/dbraw/zinc/44/02/96/970440296.db2.gz AEDAAZDRMNGYGT-HNENSFHCSA-N 1 0 405.376 3.581 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000554628881 1013993273 /nfs/dbraw/zinc/99/32/73/1013993273.db2.gz HLORAHDNXJQGIV-XXBNENTESA-N 1 0 420.557 3.547 20 30 HHEDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000195593553 970536193 /nfs/dbraw/zinc/53/61/93/970536193.db2.gz XWJAAMQJYCHXAO-UHFFFAOYSA-N 1 0 424.570 3.607 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000195600821 970542566 /nfs/dbraw/zinc/54/25/66/970542566.db2.gz IHAFWRIJZBOOMU-UHFFFAOYSA-N 1 0 414.303 3.555 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1Cl ZINC000303969333 972556710 /nfs/dbraw/zinc/55/67/10/972556710.db2.gz BQVACSHUSRUSBE-GOSISDBHSA-N 1 0 423.344 3.802 20 30 HHEDRO COc1ccc(Br)cc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303987027 972569755 /nfs/dbraw/zinc/56/97/55/972569755.db2.gz VCPJKCMKRGZRFF-UHFFFAOYSA-N 1 0 406.280 3.546 20 30 HHEDRO COc1cccc(NC(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000303988324 972570681 /nfs/dbraw/zinc/57/06/81/972570681.db2.gz WLNKESFFAIXURM-UHFFFAOYSA-N 1 0 418.335 3.933 20 30 HHEDRO [NH2+]=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000304476807 972601557 /nfs/dbraw/zinc/60/15/57/972601557.db2.gz HURRKXAGIBSEJG-LJQANCHMSA-N 1 0 407.514 3.698 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccnc(O[C@H](C)CC(C)C)c2)cc1OC ZINC000304738021 972604353 /nfs/dbraw/zinc/60/43/53/972604353.db2.gz AQCJEVFFDWNQRI-MRXNPFEDSA-N 1 0 400.523 3.517 20 30 HHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(O[C@@H]2CCOC2)c1 ZINC000305236290 972611378 /nfs/dbraw/zinc/61/13/78/972611378.db2.gz NTUCLFCRORYQFK-OAHLLOKOSA-N 1 0 409.408 3.988 20 30 HHEDRO C[C@@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)c2)CCO1 ZINC000305238999 972611866 /nfs/dbraw/zinc/61/18/66/972611866.db2.gz PKDJUKIVOAXQLF-OAHLLOKOSA-N 1 0 422.451 3.733 20 30 HHEDRO CC(C)CNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(C(C)C)c2)cc1 ZINC000305683388 972613225 /nfs/dbraw/zinc/61/32/25/972613225.db2.gz LNTDODVTSKJCIC-UHFFFAOYSA-N 1 0 402.564 3.671 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000409518128 972972839 /nfs/dbraw/zinc/97/28/39/972972839.db2.gz KPPGCMFPRVSKJG-DLBZAZTESA-N 1 0 410.331 3.913 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000409518925 972974020 /nfs/dbraw/zinc/97/40/20/972974020.db2.gz FDERINCBYGXACB-ZWKOTPCHSA-N 1 0 410.331 3.913 20 30 HHEDRO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000410394631 973992671 /nfs/dbraw/zinc/99/26/71/973992671.db2.gz CNIWBLOORVRRAQ-SFHVURJKSA-N 1 0 403.954 3.516 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000426068387 974191777 /nfs/dbraw/zinc/19/17/77/974191777.db2.gz BLLJDRNHDZYHEM-FGZHOGPDSA-N 1 0 420.513 3.850 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000426161021 974274233 /nfs/dbraw/zinc/27/42/33/974274233.db2.gz LJXNJYSJEAVNHS-CQSZACIVSA-N 1 0 415.900 3.985 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3Cl)cc2)CC1 ZINC000426163318 974276068 /nfs/dbraw/zinc/27/60/68/974276068.db2.gz VINMICONJSYESH-UHFFFAOYSA-N 1 0 411.937 3.671 20 30 HHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426537179 974513992 /nfs/dbraw/zinc/51/39/92/974513992.db2.gz FHOUBKVEXAWKAZ-QZTJIDSGSA-N 1 0 420.513 3.668 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000426550387 974522867 /nfs/dbraw/zinc/52/28/67/974522867.db2.gz BBNFUECYXRXNRC-UHFFFAOYSA-N 1 0 411.481 3.777 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000426569299 974534871 /nfs/dbraw/zinc/53/48/71/974534871.db2.gz YVDXQXNFYXVKSX-HXUWFJFHSA-N 1 0 405.542 3.822 20 30 HHEDRO N#Cc1ccc(CN2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)CC2)cc1 ZINC000426587670 974547583 /nfs/dbraw/zinc/54/75/83/974547583.db2.gz SHVKVWJBVFITAY-UHFFFAOYSA-N 1 0 411.918 3.621 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674691 974594667 /nfs/dbraw/zinc/59/46/67/974594667.db2.gz LRKPADLNVGFPLX-ZWKOTPCHSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000426752952 974636293 /nfs/dbraw/zinc/63/62/93/974636293.db2.gz BNMUSHJXLCRZPX-KRWDZBQOSA-N 1 0 402.947 3.924 20 30 HHEDRO C=CCC[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000426824026 974689479 /nfs/dbraw/zinc/68/94/79/974689479.db2.gz LBUKNAHZWDFWQL-HSZRJFAPSA-N 1 0 411.590 3.577 20 30 HHEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000426960555 974780952 /nfs/dbraw/zinc/78/09/52/974780952.db2.gz RWYZKSHECVEEGE-UHFFFAOYSA-N 1 0 420.513 3.526 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cc(C)ccc1OC ZINC000427116023 974916450 /nfs/dbraw/zinc/91/64/50/974916450.db2.gz DUGLUAAOASYQAO-UHFFFAOYSA-N 1 0 414.575 3.785 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427271898 975017120 /nfs/dbraw/zinc/01/71/20/975017120.db2.gz HIAMFJPYNILQFY-UHFFFAOYSA-N 1 0 418.501 3.752 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427279563 975021408 /nfs/dbraw/zinc/02/14/08/975021408.db2.gz HVKBRYJMMAHYTD-UHFFFAOYSA-N 1 0 421.520 3.895 20 30 HHEDRO CCc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1CCC(C)C ZINC000427388176 975089035 /nfs/dbraw/zinc/08/90/35/975089035.db2.gz YPPAJMORGJSVNS-UHFFFAOYSA-N 1 0 407.562 3.780 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2sccc2C#N)cc1Cl ZINC000428413406 975733321 /nfs/dbraw/zinc/73/33/21/975733321.db2.gz ZUNYBIPKDXUWTQ-UHFFFAOYSA-N 1 0 418.950 3.987 20 30 HHEDRO C=C(C)COc1cc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000428432104 975745899 /nfs/dbraw/zinc/74/58/99/975745899.db2.gz OQFVCQPPJXZXCV-VWLOTQADSA-N 1 0 410.558 3.719 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)c2)c1 ZINC000428485630 975785282 /nfs/dbraw/zinc/78/52/82/975785282.db2.gz SGXXFFIICQHRHB-IBGZPJMESA-N 1 0 417.431 3.638 20 30 HHEDRO Cn1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c(-c2ccc(C#N)cc2)n1 ZINC000428572571 975884265 /nfs/dbraw/zinc/88/42/65/975884265.db2.gz NCHKYMBSGSHDMJ-UKILVPOCSA-N 1 0 418.516 3.961 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)c1 ZINC000428905636 976207426 /nfs/dbraw/zinc/20/74/26/976207426.db2.gz KAWQVNXAORMPRE-IBGZPJMESA-N 1 0 406.486 3.537 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084978 976370576 /nfs/dbraw/zinc/37/05/76/976370576.db2.gz PHUBYMPQFFJAAT-XXBNENTESA-N 1 0 413.525 3.714 20 30 HHEDRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000429147417 976434802 /nfs/dbraw/zinc/43/48/02/976434802.db2.gz FCORVPIGRSMJIK-OAHLLOKOSA-N 1 0 400.885 3.890 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 ZINC000429192806 976483638 /nfs/dbraw/zinc/48/36/38/976483638.db2.gz SBCXRQVCPBASQH-VLIAUNLRSA-N 1 0 422.472 3.527 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429323485 976590076 /nfs/dbraw/zinc/59/00/76/976590076.db2.gz WTFUKZIMQNFQKT-SFHVURJKSA-N 1 0 406.530 3.883 20 30 HHEDRO C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@@H+](C2CCC2)C1 ZINC000429380535 976652894 /nfs/dbraw/zinc/65/28/94/976652894.db2.gz MHTICTLENLTNEH-INIZCTEOSA-N 1 0 400.592 3.633 20 30 HHEDRO C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+](C2CCC2)C1 ZINC000429393374 976666998 /nfs/dbraw/zinc/66/69/98/976666998.db2.gz KBBKJIDAYLCDMX-INIZCTEOSA-N 1 0 400.592 3.633 20 30 HHEDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@H]1C(C)C ZINC000429397655 976673662 /nfs/dbraw/zinc/67/36/62/976673662.db2.gz JHPWIUJKJPBVHD-IIMJZQEZSA-N 1 0 417.575 3.593 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000429619886 976906588 /nfs/dbraw/zinc/90/65/88/976906588.db2.gz IQHBXAAICBIFDU-QFIPXVFZSA-N 1 0 422.529 3.758 20 30 HHEDRO N#Cc1ccc([C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C(N)=O)cc1 ZINC000429805986 977081080 /nfs/dbraw/zinc/08/10/80/977081080.db2.gz JKDSWJRSGIBVFK-IIDMSEBBSA-N 1 0 402.267 3.522 20 30 HHEDRO C[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1OCCc2sccc21 ZINC000429828452 977097903 /nfs/dbraw/zinc/09/79/03/977097903.db2.gz OGJSHAKTLNLYOC-JTSKRJEESA-N 1 0 409.555 3.604 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429854879 977126142 /nfs/dbraw/zinc/12/61/42/977126142.db2.gz YWHQIKOEGRNSOB-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO Cn1cc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)Cc2ccc(Cl)cc2)cn1 ZINC000430251781 977420611 /nfs/dbraw/zinc/42/06/11/977420611.db2.gz PEVAMGOPJZDIFD-UHFFFAOYSA-N 1 0 407.905 3.976 20 30 HHEDRO C=CCN1C(=O)N([C@H](C[NH+]2CCCC2)c2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430853674 977806763 /nfs/dbraw/zinc/80/67/63/977806763.db2.gz XKVVBGPDZPRDDO-XZOQPEGZSA-N 1 0 403.526 3.885 20 30 HHEDRO C=CCN1C(=O)N(C[C@H]2CC[N@H+](CCc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431071397 978002914 /nfs/dbraw/zinc/00/29/14/978002914.db2.gz PHEPFJZLISAPQV-BJKOFHAPSA-N 1 0 417.553 3.613 20 30 HHEDRO C=CCN1C(=O)N(CC2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431162673 978063384 /nfs/dbraw/zinc/06/33/84/978063384.db2.gz UKTYJZOSDNYQDL-XMMPIXPASA-N 1 0 417.553 3.960 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431388028 978262404 /nfs/dbraw/zinc/26/24/04/978262404.db2.gz LCTGXFORYRBPPQ-SIKLNZKXSA-N 1 0 421.541 3.749 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000431817895 978535305 /nfs/dbraw/zinc/53/53/05/978535305.db2.gz LCPQXBGMLOLWJY-DEOSSOPVSA-N 1 0 419.573 3.668 20 30 HHEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000431906860 978591229 /nfs/dbraw/zinc/59/12/29/978591229.db2.gz JLTUMSHXINRSNW-YJBOKZPZSA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000431906859 978591331 /nfs/dbraw/zinc/59/13/31/978591331.db2.gz JLTUMSHXINRSNW-QAPCUYQASA-N 1 0 403.935 3.543 20 30 HHEDRO C=CCN1C(=O)N([C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431956113 978617939 /nfs/dbraw/zinc/61/79/39/978617939.db2.gz BGIYKXQPNPUVAB-QDSKXPNFSA-N 1 0 417.553 3.959 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000431957628 978618661 /nfs/dbraw/zinc/61/86/61/978618661.db2.gz GTJTXHAVBAEUGJ-RXVVDRJESA-N 1 0 406.530 3.687 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000431983172 978630761 /nfs/dbraw/zinc/63/07/61/978630761.db2.gz VENCENGINYSRQC-HDICACEKSA-N 1 0 418.541 3.600 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000432531950 978868586 /nfs/dbraw/zinc/86/85/86/978868586.db2.gz QHYVYZYLBMFAKS-SFHVURJKSA-N 1 0 424.570 3.757 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)[NH+](C)C)cc1 ZINC000432591501 978903485 /nfs/dbraw/zinc/90/34/85/978903485.db2.gz FLWUXGAMDZNHBD-JOCHJYFZSA-N 1 0 406.530 3.649 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000433021716 979044294 /nfs/dbraw/zinc/04/42/94/979044294.db2.gz YCGFGQAHICVTMN-HSZRJFAPSA-N 1 0 418.541 3.564 20 30 HHEDRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433021850 979044403 /nfs/dbraw/zinc/04/44/03/979044403.db2.gz SBQVUSOOTMQYND-OAQYLSRUSA-N 1 0 406.530 3.691 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCSC1 ZINC000433199048 979135181 /nfs/dbraw/zinc/13/51/81/979135181.db2.gz JLFDLQOSHLKVTL-HNNXBMFYSA-N 1 0 407.605 3.671 20 30 HHEDRO COc1cc(C[N@H+](CCO)[C@@H]2CCCSC2)ccc1OCc1cccc(C#N)c1 ZINC000433202590 979138019 /nfs/dbraw/zinc/13/80/19/979138019.db2.gz RTZJVIBZRAEFMX-OAQYLSRUSA-N 1 0 412.555 3.836 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC000433298654 979222933 /nfs/dbraw/zinc/22/29/33/979222933.db2.gz APTWCBFYSLLGGO-LJQANCHMSA-N 1 0 412.331 3.502 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c(-c2ccncc2)n1 ZINC000433311332 979229432 /nfs/dbraw/zinc/22/94/32/979229432.db2.gz GVBWADGHXCSACA-HSZRJFAPSA-N 1 0 400.530 3.785 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(Br)s2)c(-c2ccncc2)n1 ZINC000433313449 979230167 /nfs/dbraw/zinc/23/01/67/979230167.db2.gz VPKPLNLNBNJRGA-UHFFFAOYSA-N 1 0 402.321 3.973 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)c(-c2ccncc2)n1 ZINC000433322831 979236281 /nfs/dbraw/zinc/23/62/81/979236281.db2.gz SEFHEGAWVDZHGR-UHFFFAOYSA-N 1 0 401.518 3.534 20 30 HHEDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000433334282 979243720 /nfs/dbraw/zinc/24/37/20/979243720.db2.gz GYJWSYQALXSLHR-DVECYGJZSA-N 1 0 403.530 3.578 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c(-c2ccncc2)n1 ZINC000433338281 979247791 /nfs/dbraw/zinc/24/77/91/979247791.db2.gz GIKNAHRWMXRCGD-UHFFFAOYSA-N 1 0 415.526 3.710 20 30 HHEDRO CN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434178245 979942538 /nfs/dbraw/zinc/94/25/38/979942538.db2.gz VLBFTGBJPHMEQZ-UHFFFAOYSA-N 1 0 407.514 3.853 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nccn1-c1ccccc1 ZINC000434644438 980315057 /nfs/dbraw/zinc/31/50/57/980315057.db2.gz VKZYPESTOPHGNO-UHFFFAOYSA-N 1 0 408.575 3.971 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1Cl ZINC000434684675 980338086 /nfs/dbraw/zinc/33/80/86/980338086.db2.gz JXAJSADPVJQABJ-UHFFFAOYSA-N 1 0 411.937 3.953 20 30 HHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434788091 980398926 /nfs/dbraw/zinc/39/89/26/980398926.db2.gz XNQCDROAXFBPLT-ICSRJNTNSA-N 1 0 404.297 3.784 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000434811220 980415089 /nfs/dbraw/zinc/41/50/89/980415089.db2.gz XWOIKXZQBUAJCX-CTNGQTDRSA-N 1 0 407.514 3.834 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434855959 980450386 /nfs/dbraw/zinc/45/03/86/980450386.db2.gz PXZTXTMDCOETQD-HXUWFJFHSA-N 1 0 423.517 3.819 20 30 HHEDRO COCCSc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000434872686 980460357 /nfs/dbraw/zinc/46/03/57/980460357.db2.gz DNRVNUUQJAWTCM-KDOFPFPSSA-N 1 0 401.557 3.814 20 30 HHEDRO COC(=O)[C@H](Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1cccc(C#N)c1 ZINC000434881516 980465597 /nfs/dbraw/zinc/46/55/97/980465597.db2.gz VRYXPRNETOKRPN-HSZRJFAPSA-N 1 0 420.513 3.699 20 30 HHEDRO CC(C)C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000434929990 980505577 /nfs/dbraw/zinc/50/55/77/980505577.db2.gz DFCQENFHFNLHLY-UHFFFAOYSA-N 1 0 412.921 3.797 20 30 HHEDRO C=CCC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccccc1 ZINC000434978139 980545432 /nfs/dbraw/zinc/54/54/32/980545432.db2.gz UJZZMSUNJKDLPT-JOCHJYFZSA-N 1 0 407.562 3.730 20 30 HHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1Oc1ccccc1 ZINC000434983782 980548578 /nfs/dbraw/zinc/54/85/78/980548578.db2.gz TWAKPDFOXBHNKG-ZDXQCDESSA-N 1 0 417.513 3.573 20 30 HHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1Oc1ccccc1 ZINC000434983781 980548690 /nfs/dbraw/zinc/54/86/90/980548690.db2.gz TWAKPDFOXBHNKG-WMTXJRDZSA-N 1 0 417.513 3.573 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)cc1OCC ZINC000435044411 980592177 /nfs/dbraw/zinc/59/21/77/980592177.db2.gz UJYMCUSZYZPCBM-LSDHHAIUSA-N 1 0 412.324 3.844 20 30 HHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000435057976 980602404 /nfs/dbraw/zinc/60/24/04/980602404.db2.gz RDFLQJOLFUHIHI-HXUWFJFHSA-N 1 0 423.517 3.819 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2ccncc2)n1 ZINC000435137628 980668743 /nfs/dbraw/zinc/66/87/43/980668743.db2.gz MZGHMWCDEDAFNB-FQEVSTJZSA-N 1 0 401.470 3.925 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000435185920 980706163 /nfs/dbraw/zinc/70/61/63/980706163.db2.gz ZKSUSFBZAZHLAC-CYBMUJFWSA-N 1 0 402.486 3.701 20 30 HHEDRO N#Cc1cccc(C2(C(=O)NCCCOC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000435340554 980795750 /nfs/dbraw/zinc/79/57/50/980795750.db2.gz JPZGKMYESFRWEO-UHFFFAOYSA-N 1 0 417.553 3.777 20 30 HHEDRO Cc1cc(NC(=O)N(CCC#N)CC2CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435525245 980919876 /nfs/dbraw/zinc/91/98/76/980919876.db2.gz ITSYVRWRFJPVCQ-OAQYLSRUSA-N 1 0 406.534 3.796 20 30 HHEDRO Cc1nn(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1-c1ccccc1 ZINC000436030484 981168247 /nfs/dbraw/zinc/16/82/47/981168247.db2.gz HXWBSMZSAYXXFS-UHFFFAOYSA-N 1 0 413.525 3.533 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)C[C@@H](C)O1 ZINC000436103069 981201534 /nfs/dbraw/zinc/20/15/34/981201534.db2.gz MRLABBORTIXESD-RTBURBONSA-N 1 0 403.526 3.515 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000436270599 981278839 /nfs/dbraw/zinc/27/88/39/981278839.db2.gz NQOAXXBJMDDOTI-UZLBHIALSA-N 1 0 406.958 3.585 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000436308486 981290724 /nfs/dbraw/zinc/29/07/24/981290724.db2.gz UGOJDIBPKPLIPR-SFHVURJKSA-N 1 0 420.532 3.748 20 30 HHEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3ccc(C#N)cc3F)n2)ccc1O ZINC000436718808 981529579 /nfs/dbraw/zinc/52/95/79/981529579.db2.gz NBVXSFAVEKYQRD-UHFFFAOYSA-N 1 0 410.449 3.964 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437009893 981684773 /nfs/dbraw/zinc/68/47/73/981684773.db2.gz MWUZDPZKAUPZCO-DHIUTWEWSA-N 1 0 418.541 3.765 20 30 HHEDRO Cc1nc(SCC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000437055298 981726020 /nfs/dbraw/zinc/72/60/20/981726020.db2.gz MUJWDQXAAHMEFW-NRFANRHFSA-N 1 0 422.598 3.951 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1OC ZINC000448468594 981806671 /nfs/dbraw/zinc/80/66/71/981806671.db2.gz VKKOOEGDOHDXRB-CTNGQTDRSA-N 1 0 413.562 3.591 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1OC ZINC000448468597 981807012 /nfs/dbraw/zinc/80/70/12/981807012.db2.gz VKKOOEGDOHDXRB-TZIWHRDSSA-N 1 0 413.562 3.591 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460198563 981972814 /nfs/dbraw/zinc/97/28/14/981972814.db2.gz XDKCYDAQGOWAIY-UHFFFAOYSA-N 1 0 404.493 3.688 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437337120 981987297 /nfs/dbraw/zinc/98/72/97/981987297.db2.gz KSCYCLYAUARUGV-NRFANRHFSA-N 1 0 422.504 3.539 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437341480 981991808 /nfs/dbraw/zinc/99/18/08/981991808.db2.gz MNTGNSSBQBYSHR-JOCHJYFZSA-N 1 0 418.541 3.708 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460272618 982048329 /nfs/dbraw/zinc/04/83/29/982048329.db2.gz ZQGMDVCAZHCCSY-RTBURBONSA-N 1 0 400.530 3.936 20 30 HHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460389033 982168379 /nfs/dbraw/zinc/16/83/79/982168379.db2.gz PMGXYZINUYNVRM-GOSISDBHSA-N 1 0 420.561 3.692 20 30 HHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460389899 982169792 /nfs/dbraw/zinc/16/97/92/982169792.db2.gz UIZBPLKXWRTHDC-IFMALSPDSA-N 1 0 407.562 3.985 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460396250 982176814 /nfs/dbraw/zinc/17/68/14/982176814.db2.gz XMDJLQSCBUJDLL-PKOBYXMFSA-N 1 0 413.566 3.705 20 30 HHEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000437716853 982314560 /nfs/dbraw/zinc/31/45/60/982314560.db2.gz MYHQFDJFUYALDL-UHFFFAOYSA-N 1 0 410.905 3.817 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000437748527 982334798 /nfs/dbraw/zinc/33/47/98/982334798.db2.gz QRNGQXFAUKIIOE-PTUXOGIPSA-N 1 0 405.498 3.674 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460562389 982347766 /nfs/dbraw/zinc/34/77/66/982347766.db2.gz SFQMVROMPKNKKN-PZJWPPBQSA-N 1 0 411.594 3.957 20 30 HHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460583673 982368145 /nfs/dbraw/zinc/36/81/45/982368145.db2.gz KYVFSYSFPPQPKA-PZJWPPBQSA-N 1 0 404.562 3.920 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000437954769 982485847 /nfs/dbraw/zinc/48/58/47/982485847.db2.gz NXQIPJMYLGHSAK-OAOOKAIFSA-N 1 0 423.488 3.813 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460780049 982532966 /nfs/dbraw/zinc/53/29/66/982532966.db2.gz BTODOKSIPMXOGG-ZRNYENFQSA-N 1 0 401.599 3.836 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460798822 982551391 /nfs/dbraw/zinc/55/13/91/982551391.db2.gz XNYZNNADGLXMCR-FPOVZHCZSA-N 1 0 409.578 3.711 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460802726 982555475 /nfs/dbraw/zinc/55/54/75/982555475.db2.gz CHBROUYRNZWZDN-IEBWSBKVSA-N 1 0 401.530 3.739 20 30 HHEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000460862656 982606801 /nfs/dbraw/zinc/60/68/01/982606801.db2.gz UZTCHQHMXVZFKS-UHFFFAOYSA-N 1 0 410.566 3.695 20 30 HHEDRO N#Cc1csc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000438260100 982686160 /nfs/dbraw/zinc/68/61/60/982686160.db2.gz OJTGWQPYIQYBIF-UHFFFAOYSA-N 1 0 422.476 3.581 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460955734 982688972 /nfs/dbraw/zinc/68/89/72/982688972.db2.gz CXFNAFPDUQRSFK-MSOLQXFVSA-N 1 0 413.566 3.847 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2)C(C)C ZINC000460984925 982708237 /nfs/dbraw/zinc/70/82/37/982708237.db2.gz DXLOKSJXFKZNMP-OAQYLSRUSA-N 1 0 409.530 3.881 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000438442076 982794932 /nfs/dbraw/zinc/79/49/32/982794932.db2.gz IKZLVHRNGNBROP-HKUYNNGSSA-N 1 0 413.484 3.760 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000438462638 982814563 /nfs/dbraw/zinc/81/45/63/982814563.db2.gz JFXJTMWWBFJOCS-UHFFFAOYSA-N 1 0 417.469 3.552 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438655569 982973076 /nfs/dbraw/zinc/97/30/76/982973076.db2.gz MHPQNFYZKHKIIU-JXFKEZNVSA-N 1 0 424.932 3.834 20 30 HHEDRO Cc1ccc(NC(=O)C2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000438730492 983030228 /nfs/dbraw/zinc/03/02/28/983030228.db2.gz HXFRYMPOVQOQIY-UHFFFAOYSA-N 1 0 417.431 3.991 20 30 HHEDRO N#CCC[C@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000438844395 983112029 /nfs/dbraw/zinc/11/20/29/983112029.db2.gz YFZKTRYUVQQWMU-QHCPKHFHSA-N 1 0 405.546 3.543 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(=O)OC)c1ccccc1C ZINC000438892664 983140435 /nfs/dbraw/zinc/14/04/35/983140435.db2.gz GVWRBBMVXUFMTB-HXUWFJFHSA-N 1 0 414.575 3.807 20 30 HHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461509550 983157472 /nfs/dbraw/zinc/15/74/72/983157472.db2.gz RRURLEAOJDPTAG-IRXDYDNUSA-N 1 0 406.559 3.845 20 30 HHEDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000438988157 983196668 /nfs/dbraw/zinc/19/66/68/983196668.db2.gz QYSFNNIRUIFSDX-HNAYVOBHSA-N 1 0 410.493 3.984 20 30 HHEDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000439385389 983388590 /nfs/dbraw/zinc/38/85/90/983388590.db2.gz LASSTPDWZCXZFW-UHFFFAOYSA-N 1 0 414.465 3.989 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439668978 983493369 /nfs/dbraw/zinc/49/33/69/983493369.db2.gz BKWDDMGVNPLFEA-FQEVSTJZSA-N 1 0 406.534 3.789 20 30 HHEDRO CCCc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439669259 983493406 /nfs/dbraw/zinc/49/34/06/983493406.db2.gz WJAUOMUDNWAIIO-ZWKOTPCHSA-N 1 0 408.550 3.938 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(OC)c1 ZINC000439741655 983521787 /nfs/dbraw/zinc/52/17/87/983521787.db2.gz RPOFORXSLLRZCU-GOSISDBHSA-N 1 0 409.530 3.539 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1)C(C)C ZINC000439988410 983607165 /nfs/dbraw/zinc/60/71/65/983607165.db2.gz NFSDOKDLYFYTMO-IBGZPJMESA-N 1 0 419.957 3.690 20 30 HHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)c2cccs2)CC1 ZINC000440056001 983627112 /nfs/dbraw/zinc/62/71/12/983627112.db2.gz WLBVCFSMHPPNEK-IBGZPJMESA-N 1 0 421.563 3.651 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440515729 983782646 /nfs/dbraw/zinc/78/26/46/983782646.db2.gz FSSWJFZXOKDWFI-SANMLTNESA-N 1 0 411.505 3.592 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@]2(CO)CCCc3ccccc32)c1C#N ZINC000440815903 983918885 /nfs/dbraw/zinc/91/88/85/983918885.db2.gz AWEFPNBEZHWAGF-VWLOTQADSA-N 1 0 420.557 3.844 20 30 HHEDRO N#Cc1ccsc1NC(=O)CCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931562 983985909 /nfs/dbraw/zinc/98/59/09/983985909.db2.gz XBQNYUFGNHTRAO-KRWDZBQOSA-N 1 0 422.510 3.589 20 30 HHEDRO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000441069240 984053572 /nfs/dbraw/zinc/05/35/72/984053572.db2.gz NVEWJTWYOKBJQG-NBGIEHNGSA-N 1 0 400.526 3.721 20 30 HHEDRO C[N@H+](CCNC(=O)C1CCN(CC#Cc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000441163163 984097035 /nfs/dbraw/zinc/09/70/35/984097035.db2.gz DOWQWLRDMMWVCR-UHFFFAOYSA-N 1 0 423.988 3.652 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441204552 984113843 /nfs/dbraw/zinc/11/38/43/984113843.db2.gz NIYYDRDEBAPDRC-VQTJNVASSA-N 1 0 424.545 3.695 20 30 HHEDRO Cc1oc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000441273481 984152530 /nfs/dbraw/zinc/15/25/30/984152530.db2.gz CQLMNYBMXFJZGM-UONOGXRCSA-N 1 0 403.910 3.674 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441286750 984159708 /nfs/dbraw/zinc/15/97/08/984159708.db2.gz OVAOYVARRVPRQJ-DLBZAZTESA-N 1 0 401.576 3.966 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441332387 984190262 /nfs/dbraw/zinc/19/02/62/984190262.db2.gz JVMWRYRIXMBUBT-RBBKRZOGSA-N 1 0 421.541 3.869 20 30 HHEDRO C=CCOc1ccccc1CN(C(=O)C[N@@H+](C)C1CCC1)c1ccc2c(c1)OCO2 ZINC000441346282 984199714 /nfs/dbraw/zinc/19/97/14/984199714.db2.gz NGKPWQGYLYRSQE-UHFFFAOYSA-N 1 0 408.498 3.998 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441407017 984235712 /nfs/dbraw/zinc/23/57/12/984235712.db2.gz ZBOOSHALJMXFPZ-IMSXRSKXSA-N 1 0 408.590 3.887 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cccs1 ZINC000441924328 984543405 /nfs/dbraw/zinc/54/34/05/984543405.db2.gz JVPOBUDBGWTSRL-OXQOHEQNSA-N 1 0 424.570 3.687 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000442164374 984687365 /nfs/dbraw/zinc/68/73/65/984687365.db2.gz MDZHXXLUQWQNGP-UHFFFAOYSA-N 1 0 404.514 3.718 20 30 HHEDRO N#Cc1cc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1OC(F)(F)F ZINC000442204690 984724627 /nfs/dbraw/zinc/72/46/27/984724627.db2.gz GHDPKHMNWRUKPM-UHFFFAOYSA-N 1 0 419.407 3.890 20 30 HHEDRO COC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000461728130 984743279 /nfs/dbraw/zinc/74/32/79/984743279.db2.gz HGJTTWJLUZAXDL-OAQYLSRUSA-N 1 0 414.937 3.673 20 30 HHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000442579608 985067025 /nfs/dbraw/zinc/06/70/25/985067025.db2.gz WSMYZEHIOAZOQJ-IBGZPJMESA-N 1 0 420.513 3.540 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442981437 985315941 /nfs/dbraw/zinc/31/59/41/985315941.db2.gz UOABHITWBHBRRB-UHFFFAOYSA-N 1 0 410.562 3.830 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000443010348 985334004 /nfs/dbraw/zinc/33/40/04/985334004.db2.gz DIQYPDSIFHTTHP-UZLBHIALSA-N 1 0 401.507 3.543 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000443122718 985391151 /nfs/dbraw/zinc/39/11/51/985391151.db2.gz HOCHFRHRNKONLS-UHFFFAOYSA-N 1 0 410.562 3.589 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000443417094 985573344 /nfs/dbraw/zinc/57/33/44/985573344.db2.gz VGUWTTNCDUWPOJ-UHFFFAOYSA-N 1 0 408.449 3.789 20 30 HHEDRO N#Cc1nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1C(F)(F)F ZINC000443523538 985693777 /nfs/dbraw/zinc/69/37/77/985693777.db2.gz PQXLUUSSHQQTHL-UHFFFAOYSA-N 1 0 418.463 4.455 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443674047 985881270 /nfs/dbraw/zinc/88/12/70/985881270.db2.gz KLCBQTFZEDKHGN-BGYRXZFFSA-N 1 0 421.541 3.756 20 30 HHEDRO COc1cccc(-c2noc([C@H](C)NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC000463208616 986180150 /nfs/dbraw/zinc/18/01/50/986180150.db2.gz XZZNZQRMCSOWFT-KRWDZBQOSA-N 1 0 417.513 3.932 20 30 HHEDRO C[NH+]1CCC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 ZINC000468572311 986277718 /nfs/dbraw/zinc/27/77/18/986277718.db2.gz UMOUPCQSIWMOBX-UHFFFAOYSA-N 1 0 408.449 3.905 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CC1(C#N)CC1 ZINC000463355466 986321304 /nfs/dbraw/zinc/32/13/04/986321304.db2.gz WRXALGQAPXMXIP-UHFFFAOYSA-N 1 0 418.390 3.771 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[C@H](C[NH+]3CCCCC3)C2)sc2c1CCCC2 ZINC000444213106 986396524 /nfs/dbraw/zinc/39/65/24/986396524.db2.gz OUEYWHOSHZOSDO-QGZVFWFLSA-N 1 0 400.592 3.635 20 30 HHEDRO N#Cc1c(NC(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)sc2c1CCCCC2 ZINC000444218734 986402632 /nfs/dbraw/zinc/40/26/32/986402632.db2.gz YEIXGQHGHLGMMF-QGZVFWFLSA-N 1 0 400.592 3.635 20 30 HHEDRO Cc1cc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000463480596 986456903 /nfs/dbraw/zinc/45/69/03/986456903.db2.gz HCPFWTDWZKQBGD-UHFFFAOYSA-N 1 0 410.949 3.980 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463485392 986461428 /nfs/dbraw/zinc/46/14/28/986461428.db2.gz SYJRBHUOTQQGLJ-UHFFFAOYSA-N 1 0 415.497 3.690 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468824635 986533312 /nfs/dbraw/zinc/53/33/12/986533312.db2.gz DCYRDIJQBMMKGY-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000444396000 986573692 /nfs/dbraw/zinc/57/36/92/986573692.db2.gz LRLZFDXAVISTPV-KRWDZBQOSA-N 1 0 408.930 3.597 20 30 HHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cccc21 ZINC000468895007 986601624 /nfs/dbraw/zinc/60/16/24/986601624.db2.gz GRMJZPYHSYVLAG-OAQYLSRUSA-N 1 0 420.513 3.737 20 30 HHEDRO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000468946601 986650081 /nfs/dbraw/zinc/65/00/81/986650081.db2.gz LLHRAUDBMAKDGN-OAQYLSRUSA-N 1 0 400.482 3.950 20 30 HHEDRO N#CC(CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000444652787 986834427 /nfs/dbraw/zinc/83/44/27/986834427.db2.gz SNKLWFFFSZZEJH-UHFFFAOYSA-N 1 0 424.548 3.807 20 30 HHEDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000444754956 986916932 /nfs/dbraw/zinc/91/69/32/986916932.db2.gz VFTYGNRIJQYVAH-RTBURBONSA-N 1 0 412.578 3.724 20 30 HHEDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1(C)C ZINC000444794402 986949258 /nfs/dbraw/zinc/94/92/58/986949258.db2.gz JTRVLXRHWLHZDG-UKILVPOCSA-N 1 0 424.541 3.802 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806735 986962824 /nfs/dbraw/zinc/96/28/24/986962824.db2.gz WZOUWWAEXWRFGO-DLBZAZTESA-N 1 0 409.452 3.776 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000444836666 986994111 /nfs/dbraw/zinc/99/41/11/986994111.db2.gz QQOFWEWGYHHQSH-UHFFFAOYSA-N 1 0 422.476 3.516 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338139 987044733 /nfs/dbraw/zinc/04/47/33/987044733.db2.gz NAVBPZPJSGIUJX-XXBNENTESA-N 1 0 417.557 3.987 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)C2)n1 ZINC000469352047 987054528 /nfs/dbraw/zinc/05/45/28/987054528.db2.gz WLSKKNXJZXBUMW-RXVVDRJESA-N 1 0 419.529 3.502 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2)CC1 ZINC000469359687 987059903 /nfs/dbraw/zinc/05/99/03/987059903.db2.gz XAPOAGBLMKVYBG-LJQANCHMSA-N 1 0 417.340 3.735 20 30 HHEDRO CCCc1c(NC(=O)NCC2CC[NH+](C3CC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000445169396 987256005 /nfs/dbraw/zinc/25/60/05/987256005.db2.gz XSYIOYLDQTYBRR-UHFFFAOYSA-N 1 0 406.534 3.692 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000469758583 987411968 /nfs/dbraw/zinc/41/19/68/987411968.db2.gz RWKYTRCHDDCSAU-ZZYHAFTGSA-N 1 0 404.558 3.679 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1C ZINC000470165146 988078209 /nfs/dbraw/zinc/07/82/09/988078209.db2.gz FJEHPCGBCSESOY-NRFANRHFSA-N 1 0 405.546 3.827 20 30 HHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470541057 988548361 /nfs/dbraw/zinc/54/83/61/988548361.db2.gz DRXOUHBLJVYOMO-FQEVSTJZSA-N 1 0 411.550 3.608 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000470550314 988561594 /nfs/dbraw/zinc/56/15/94/988561594.db2.gz XDHVVGLQQWWMNK-UHFFFAOYSA-N 1 0 419.529 3.653 20 30 HHEDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+](C)C ZINC000470561657 988577792 /nfs/dbraw/zinc/57/77/92/988577792.db2.gz WGSIHMVAXOYZQK-OAQYLSRUSA-N 1 0 413.566 3.757 20 30 HHEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000464495598 988668679 /nfs/dbraw/zinc/66/86/79/988668679.db2.gz CBXNMBFFIPRVGM-MRXNPFEDSA-N 1 0 417.575 3.881 20 30 HHEDRO COc1cc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000464698975 988908171 /nfs/dbraw/zinc/90/81/71/988908171.db2.gz IHLKRIURGPILAF-NRFANRHFSA-N 1 0 417.431 3.638 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464842570 989089098 /nfs/dbraw/zinc/08/90/98/989089098.db2.gz JBZJCJCOZCANLZ-QPPBQGQZSA-N 1 0 424.585 3.760 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1C#N ZINC000464846641 989097562 /nfs/dbraw/zinc/09/75/62/989097562.db2.gz BESPBGYDBUJCRA-KNQAVFIVSA-N 1 0 424.520 3.603 20 30 HHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000464853432 989106806 /nfs/dbraw/zinc/10/68/06/989106806.db2.gz DRQIFMFBHVVYNU-OUMXJLHTSA-N 1 0 412.335 3.725 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](C)CC12CCCCC2 ZINC000471038008 989112724 /nfs/dbraw/zinc/11/27/24/989112724.db2.gz INTKADCOBULZQN-SFHVURJKSA-N 1 0 400.592 3.827 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[N@@H+](C)CC23CCCCC3)c1C#N ZINC000471039082 989114743 /nfs/dbraw/zinc/11/47/43/989114743.db2.gz TVUPPCJICPAXGO-UHFFFAOYSA-N 1 0 423.561 3.507 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000471047824 989126741 /nfs/dbraw/zinc/12/67/41/989126741.db2.gz MHIPLWNVPOIASF-DHIUTWEWSA-N 1 0 418.541 3.765 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000464946601 989239431 /nfs/dbraw/zinc/23/94/31/989239431.db2.gz YTJFOWACXGNLIE-HSZRJFAPSA-N 1 0 421.589 3.717 20 30 HHEDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000471198764 989336897 /nfs/dbraw/zinc/33/68/97/989336897.db2.gz LEKLBYMJDJHQEG-UHFFFAOYSA-N 1 0 422.529 3.788 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1C ZINC000465188782 989525143 /nfs/dbraw/zinc/52/51/43/989525143.db2.gz BMLHKIJJPXSZLA-HXUWFJFHSA-N 1 0 407.562 3.788 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471534181 989733337 /nfs/dbraw/zinc/73/33/37/989733337.db2.gz WEPFEBOLKQTGIZ-ZRZAMGCNSA-N 1 0 420.582 3.565 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NC(=O)CSc3nc(C)c(C)c(C)c3C#N)c2)CC1 ZINC000471637768 989844210 /nfs/dbraw/zinc/84/42/10/989844210.db2.gz ZIYIAICOLRRANY-UHFFFAOYSA-N 1 0 423.586 3.751 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000465527238 989885679 /nfs/dbraw/zinc/88/56/79/989885679.db2.gz HSNMIVCSJZXGQZ-OAQYLSRUSA-N 1 0 412.921 3.727 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCOc3ccc(C#N)cc3)cc2)C1 ZINC000465583014 989954531 /nfs/dbraw/zinc/95/45/31/989954531.db2.gz UDBNSDAKTWYJEJ-IBGZPJMESA-N 1 0 406.530 3.668 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000465616586 990002639 /nfs/dbraw/zinc/00/26/39/990002639.db2.gz UFEKJOGMZHNXLQ-UHFFFAOYSA-N 1 0 400.885 3.815 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000465699703 990086199 /nfs/dbraw/zinc/08/61/99/990086199.db2.gz XRSHGCJFLZRWDM-NRFANRHFSA-N 1 0 410.493 3.732 20 30 HHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000465888295 991012461 /nfs/dbraw/zinc/01/24/61/991012461.db2.gz JMYHFZQKWPNVHM-RPWUZVMVSA-N 1 0 420.557 3.651 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000466146027 991329248 /nfs/dbraw/zinc/32/92/48/991329248.db2.gz ZXPSWAZYUYEGCI-GOSISDBHSA-N 1 0 421.545 3.664 20 30 HHEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000466432621 991721179 /nfs/dbraw/zinc/72/11/79/991721179.db2.gz YDCFSKJVXGDUIN-KRWDZBQOSA-N 1 0 412.484 3.857 20 30 HHEDRO C=CCn1c(SCCC[NH+]2CCCCC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000466465643 991756632 /nfs/dbraw/zinc/75/66/32/991756632.db2.gz WSQQYMIZCAINNG-IBGZPJMESA-N 1 0 400.548 3.945 20 30 HHEDRO CCC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000466468270 991758996 /nfs/dbraw/zinc/75/89/96/991758996.db2.gz CYMBCFQRTGDOBM-OALUTQOASA-N 1 0 412.578 3.868 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)CCC2CCOCC2)c1C#N ZINC000466472179 991763327 /nfs/dbraw/zinc/76/33/27/991763327.db2.gz WLGQUBZSROMUBW-UHFFFAOYSA-N 1 0 412.509 3.792 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)cc1OCCCC#N ZINC000466475583 991767726 /nfs/dbraw/zinc/76/77/26/991767726.db2.gz UNLZQPOADBTPHY-NQIIRXRSSA-N 1 0 407.514 3.657 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCC2CCOCC2)c1C#N ZINC000466476352 991768113 /nfs/dbraw/zinc/76/81/13/991768113.db2.gz WYTFCSCFWFAUAG-UHFFFAOYSA-N 1 0 408.546 3.712 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ncccc3OCCCC#N)CC2)cc1 ZINC000466594898 991911193 /nfs/dbraw/zinc/91/11/93/991911193.db2.gz DZBYFGGHIOFZPV-UHFFFAOYSA-N 1 0 423.517 3.513 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466611531 991928332 /nfs/dbraw/zinc/92/83/32/991928332.db2.gz VAHUNUGZBRQACW-UYAOXDASSA-N 1 0 407.518 3.939 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466611528 991928409 /nfs/dbraw/zinc/92/84/09/991928409.db2.gz VAHUNUGZBRQACW-AZUAARDMSA-N 1 0 407.518 3.939 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCN3CCc4ccccc4C3=O)c2)c1 ZINC000466901358 992217775 /nfs/dbraw/zinc/21/77/75/992217775.db2.gz OICZCZVXTOVANG-UHFFFAOYSA-N 1 0 411.505 3.925 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@@H]1C ZINC000467148923 992465197 /nfs/dbraw/zinc/46/51/97/992465197.db2.gz NXHXDZZXPBBTQH-UWJYYQICSA-N 1 0 407.562 3.709 20 30 HHEDRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000467439675 992736181 /nfs/dbraw/zinc/73/61/81/992736181.db2.gz WRODZUJYDOSORQ-UHFFFAOYSA-N 1 0 414.314 3.606 20 30 HHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000467440241 992736619 /nfs/dbraw/zinc/73/66/19/992736619.db2.gz QGYQCIGTTYJUGA-OAHLLOKOSA-N 1 0 419.934 3.733 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000467486174 992774568 /nfs/dbraw/zinc/77/45/68/992774568.db2.gz NMQDUGYIGNFULR-WMLDXEAASA-N 1 0 400.429 3.944 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)C(C)C ZINC000467518537 992795687 /nfs/dbraw/zinc/79/56/87/992795687.db2.gz MNIDZZPWGBURMU-VQIMIIECSA-N 1 0 424.511 3.724 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)C2)n1 ZINC000472158240 993209249 /nfs/dbraw/zinc/20/92/49/993209249.db2.gz QJCWUYQJBBHLTJ-XPNTWCBSSA-N 1 0 423.605 3.591 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC[C@H]([NH+]3CCCCC3)C2)c1C#N ZINC000472251245 993278159 /nfs/dbraw/zinc/27/81/59/993278159.db2.gz XMUIIQOMUJKDBJ-FQEVSTJZSA-N 1 0 423.561 3.507 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472300419 993313801 /nfs/dbraw/zinc/31/38/01/993313801.db2.gz PZTUHAKBBHFLCH-JRFVFWCSSA-N 1 0 402.542 3.990 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000472703079 993625414 /nfs/dbraw/zinc/62/54/14/993625414.db2.gz ULSCWKKRFQYHAM-QFIPXVFZSA-N 1 0 406.530 3.731 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000480787590 993655318 /nfs/dbraw/zinc/65/53/18/993655318.db2.gz DQZMLZHAWNCKJE-IAGOWNOFSA-N 1 0 417.579 3.585 20 30 HHEDRO CCS[C@H]1CCCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000480972087 993813034 /nfs/dbraw/zinc/81/30/34/993813034.db2.gz PVSNKHRRXNTPAE-SFHVURJKSA-N 1 0 406.596 3.559 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000481113212 993949259 /nfs/dbraw/zinc/94/92/59/993949259.db2.gz IHZJKDTUXQXFNJ-FQEVSTJZSA-N 1 0 409.578 3.999 20 30 HHEDRO Cc1nc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Br ZINC000481418722 994252384 /nfs/dbraw/zinc/25/23/84/994252384.db2.gz YUINHQXFIGPPTH-UHFFFAOYSA-N 1 0 416.323 3.620 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000481521923 994352997 /nfs/dbraw/zinc/35/29/97/994352997.db2.gz VGFAONJZWKZPAR-UHFFFAOYSA-N 1 0 420.273 3.918 20 30 HHEDRO C=C(C)[C@H]([NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1 ZINC000481626068 994490317 /nfs/dbraw/zinc/49/03/17/994490317.db2.gz XHCCRAAYHIGHNM-FQEVSTJZSA-N 1 0 410.486 3.501 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000481649981 994512677 /nfs/dbraw/zinc/51/26/77/994512677.db2.gz KDCLDWYCUWPXJL-XMMPIXPASA-N 1 0 408.590 3.640 20 30 HHEDRO N#Cc1ccc(C2(C(=O)NCCCOC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000473860034 994797136 /nfs/dbraw/zinc/79/71/36/994797136.db2.gz WLDGWXFLHDOQOO-UHFFFAOYSA-N 1 0 417.553 3.777 20 30 HHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000481983328 994880082 /nfs/dbraw/zinc/88/00/82/994880082.db2.gz KCSDXUXPOYQJBO-UHFFFAOYSA-N 1 0 421.541 3.710 20 30 HHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000481984966 994882789 /nfs/dbraw/zinc/88/27/89/994882789.db2.gz OKNKRKNHIJICSA-UHFFFAOYSA-N 1 0 421.541 3.710 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482013305 994920941 /nfs/dbraw/zinc/92/09/41/994920941.db2.gz CKIDKGCVFNPORD-GOTSBHOMSA-N 1 0 401.510 3.958 20 30 HHEDRO CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474035587 995026114 /nfs/dbraw/zinc/02/61/14/995026114.db2.gz UKWNEPWNWPZUDH-SIKLNZKXSA-N 1 0 406.530 3.804 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(O)(Cc2cccc(C)c2)CC1)C(C)C ZINC000474053344 995042355 /nfs/dbraw/zinc/04/23/55/995042355.db2.gz CYPWUWVSQIQKKN-HSZRJFAPSA-N 1 0 413.606 3.773 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000474772757 995701054 /nfs/dbraw/zinc/70/10/54/995701054.db2.gz GDRTVNOOHQCRAW-JXALWOEJSA-N 1 0 405.542 4.000 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)C(C)C ZINC000482769426 995736727 /nfs/dbraw/zinc/73/67/27/995736727.db2.gz QTUYGHJEUVIJQG-JOCHJYFZSA-N 1 0 417.569 3.603 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000482889407 995820578 /nfs/dbraw/zinc/82/05/78/995820578.db2.gz LWUIHOZJODNJQB-WIYYLYMNSA-N 1 0 408.521 3.854 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482893402 995823239 /nfs/dbraw/zinc/82/32/39/995823239.db2.gz ZTSKJDJNJNDVMQ-WMLDXEAASA-N 1 0 419.497 3.560 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Br)cn2)c(OC)c1 ZINC000482954922 995878658 /nfs/dbraw/zinc/87/86/58/995878658.db2.gz DWXRBBWKVCQUCU-WMLDXEAASA-N 1 0 421.335 3.672 20 30 HHEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@@H]1CCC(C)(C)C1 ZINC000483125068 995990599 /nfs/dbraw/zinc/99/05/99/995990599.db2.gz RETJACVTQOQBTR-QZTJIDSGSA-N 1 0 412.578 3.867 20 30 HHEDRO COc1cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000483191266 996028529 /nfs/dbraw/zinc/02/85/29/996028529.db2.gz FATUEXPEHZHENY-VWLOTQADSA-N 1 0 422.525 3.916 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+](CC1CC1)CC1CCC1)CCCC2 ZINC000483276012 996075753 /nfs/dbraw/zinc/07/57/53/996075753.db2.gz CHBGVZYUTNRMIB-HXUWFJFHSA-N 1 0 424.589 3.868 20 30 HHEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)C1 ZINC000475425203 996129598 /nfs/dbraw/zinc/12/95/98/996129598.db2.gz WVFHZSAHNSNSCJ-RLLQIKCJSA-N 1 0 405.473 3.705 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483406030 996156871 /nfs/dbraw/zinc/15/68/71/996156871.db2.gz QMQDKWNFCIEHAR-VXKWHMMOSA-N 1 0 406.555 3.954 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000483409519 996159855 /nfs/dbraw/zinc/15/98/55/996159855.db2.gz UFJRPYSXNLJJIP-PKTZIBPZSA-N 1 0 421.566 3.789 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483478350 996206140 /nfs/dbraw/zinc/20/61/40/996206140.db2.gz SZHDQIWDVPYAKW-CKUXNOBLSA-N 1 0 402.542 3.872 20 30 HHEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000475728901 996328579 /nfs/dbraw/zinc/32/85/79/996328579.db2.gz VBULFUUZUJXMKR-FCGDIQPGSA-N 1 0 412.578 3.722 20 30 HHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475752495 996349105 /nfs/dbraw/zinc/34/91/05/996349105.db2.gz ZMYLVNMOXMKUCR-CPJSRVTESA-N 1 0 402.542 3.873 20 30 HHEDRO C=C(C)[C@H](CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)c(Br)c1)OCC ZINC000475755499 996351367 /nfs/dbraw/zinc/35/13/67/996351367.db2.gz YNTLBMQBIJQGOK-IBGZPJMESA-N 1 0 424.383 3.506 20 30 HHEDRO N#CC1(CS(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCCCC1 ZINC000475796779 996376761 /nfs/dbraw/zinc/37/67/61/996376761.db2.gz UMDZHXKZHOATMQ-UHFFFAOYSA-N 1 0 424.010 3.945 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000476147418 996634784 /nfs/dbraw/zinc/63/47/84/996634784.db2.gz JXZNQQVTJLNZED-LZBANZJXSA-N 1 0 424.520 3.989 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000476147416 996634915 /nfs/dbraw/zinc/63/49/15/996634915.db2.gz JXZNQQVTJLNZED-HRTMPFAESA-N 1 0 424.520 3.989 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000476157666 996642456 /nfs/dbraw/zinc/64/24/56/996642456.db2.gz NSPCYOGBUWUIDB-JOCHJYFZSA-N 1 0 418.541 3.906 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000484311395 996695307 /nfs/dbraw/zinc/69/53/07/996695307.db2.gz KUTFRFOPCISGSD-OAQYLSRUSA-N 1 0 401.530 3.994 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000476236949 996696583 /nfs/dbraw/zinc/69/65/83/996696583.db2.gz LDPQXXNINRJGIS-JOCHJYFZSA-N 1 0 409.530 3.920 20 30 HHEDRO N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000476409608 996869566 /nfs/dbraw/zinc/86/95/66/996869566.db2.gz BUQRPKJLZYLLBP-FGZHOGPDSA-N 1 0 415.603 3.777 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000476430728 996901346 /nfs/dbraw/zinc/90/13/46/996901346.db2.gz KNMWQBZMTNEZEV-FQEVSTJZSA-N 1 0 409.555 3.676 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000484578263 996912402 /nfs/dbraw/zinc/91/24/02/996912402.db2.gz XFVWMRVCVUCCKU-UHFFFAOYSA-N 1 0 424.932 3.698 20 30 HHEDRO N#CC1(NC(=O)CN2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)CCCCC1 ZINC000484590683 996923086 /nfs/dbraw/zinc/92/30/86/996923086.db2.gz LTUWOPHABGGVFE-UHFFFAOYSA-N 1 0 412.622 3.553 20 30 HHEDRO N#Cc1cc(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)ccn1 ZINC000476558111 997050886 /nfs/dbraw/zinc/05/08/86/997050886.db2.gz AUSANAQAEPPDIQ-UHFFFAOYSA-N 1 0 411.509 3.570 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000476597976 997102788 /nfs/dbraw/zinc/10/27/88/997102788.db2.gz OEQXRPZTXAMTSH-HRTMPFAESA-N 1 0 406.530 3.850 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000476663592 997201797 /nfs/dbraw/zinc/20/17/97/997201797.db2.gz ZBSQORSEARSTCF-KOENEWCDSA-N 1 0 418.541 3.822 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 ZINC000485014227 997379891 /nfs/dbraw/zinc/37/98/91/997379891.db2.gz JPLJGYRSMNISGS-UHFFFAOYSA-N 1 0 408.502 3.740 20 30 HHEDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000485141782 997525740 /nfs/dbraw/zinc/52/57/40/997525740.db2.gz CAXWBANOWZCGKS-FRIYVGAWSA-N 1 0 401.551 3.845 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000485198658 997574495 /nfs/dbraw/zinc/57/44/95/997574495.db2.gz QUYTYAQLJUJMLX-UHFFFAOYSA-N 1 0 411.546 3.772 20 30 HHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000485419770 997854067 /nfs/dbraw/zinc/85/40/67/997854067.db2.gz GDAFEPPUNBZAEO-INIZCTEOSA-N 1 0 416.576 3.508 20 30 HHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000477286700 997969208 /nfs/dbraw/zinc/96/92/08/997969208.db2.gz UQRFNYUOGJELSR-GOSISDBHSA-N 1 0 411.468 3.840 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000485742441 998213470 /nfs/dbraw/zinc/21/34/70/998213470.db2.gz ITXBNAOMNYEFCV-UHFFFAOYSA-N 1 0 403.486 3.634 20 30 HHEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000485806352 998274469 /nfs/dbraw/zinc/27/44/69/998274469.db2.gz XDCVSIVVXFOWCN-NHYWBVRUSA-N 1 0 408.449 3.761 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485834592 998300786 /nfs/dbraw/zinc/30/07/86/998300786.db2.gz WZSSUJJIIRXVQI-GOSISDBHSA-N 1 0 404.283 3.817 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000477899800 998641984 /nfs/dbraw/zinc/64/19/84/998641984.db2.gz HYPNDBNDSZAKRC-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000478272098 998856510 /nfs/dbraw/zinc/85/65/10/998856510.db2.gz FNRAWCJQAUSDEC-JOCHJYFZSA-N 1 0 402.498 3.725 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)[N@H+](C)Cc1ccccc1 ZINC000478273022 998857067 /nfs/dbraw/zinc/85/70/67/998857067.db2.gz MIVONEUSJVEYII-MSOLQXFVSA-N 1 0 424.570 3.656 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000486657812 998879904 /nfs/dbraw/zinc/87/99/04/998879904.db2.gz OQKIGHHZWJBPLO-HXUWFJFHSA-N 1 0 403.526 3.803 20 30 HHEDRO CCOCCOc1cc(C)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478330972 998893144 /nfs/dbraw/zinc/89/31/44/998893144.db2.gz ZDEBFLALFDVTIC-UHFFFAOYSA-N 1 0 404.514 3.972 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478333005 998895157 /nfs/dbraw/zinc/89/51/57/998895157.db2.gz AMXJEFPLFMHBRM-KRWDZBQOSA-N 1 0 412.578 3.711 20 30 HHEDRO N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000486814446 998952072 /nfs/dbraw/zinc/95/20/72/998952072.db2.gz ZQYXSUUOEUUVKT-UHFFFAOYSA-N 1 0 422.476 3.581 20 30 HHEDRO CCCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000486853753 998974484 /nfs/dbraw/zinc/97/44/84/998974484.db2.gz JAFZAMZEMUFMRP-OAQYLSRUSA-N 1 0 407.514 3.636 20 30 HHEDRO CCOc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCC(C)C ZINC000486859120 998977507 /nfs/dbraw/zinc/97/75/07/998977507.db2.gz XQXCOHVLTYJXIA-JOCHJYFZSA-N 1 0 421.541 3.882 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000478613382 999047137 /nfs/dbraw/zinc/04/71/37/999047137.db2.gz DGGGDZQECWCCDK-INIZCTEOSA-N 1 0 416.953 3.653 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000478748472 999120696 /nfs/dbraw/zinc/12/06/96/999120696.db2.gz IYTKECLGUFAPOG-GOSISDBHSA-N 1 0 421.541 3.866 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000478808506 999151480 /nfs/dbraw/zinc/15/14/80/999151480.db2.gz XRUWHWKFPPDRIV-UHFFFAOYSA-N 1 0 421.541 3.738 20 30 HHEDRO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)nc1 ZINC000487398348 999160313 /nfs/dbraw/zinc/16/03/13/999160313.db2.gz JXEMEQMYZZNFQT-UHFFFAOYSA-N 1 0 406.530 3.772 20 30 HHEDRO CCC[N@H+](C)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(Cl)cc1 ZINC000478984138 999234108 /nfs/dbraw/zinc/23/41/08/999234108.db2.gz JWNVQLCKOXXPAM-GOSISDBHSA-N 1 0 402.930 3.963 20 30 HHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487882030 999303310 /nfs/dbraw/zinc/30/33/10/999303310.db2.gz ODJGNGAQCOTOKJ-UHFFFAOYSA-N 1 0 405.296 3.900 20 30 HHEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OC(F)F ZINC000479209410 999326936 /nfs/dbraw/zinc/32/69/36/999326936.db2.gz BJAVRTDONWZEDB-UHFFFAOYSA-N 1 0 415.440 3.585 20 30 HHEDRO CCOc1ccc(SCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479222659 999331983 /nfs/dbraw/zinc/33/19/83/999331983.db2.gz UVQCWVKFRUFBLL-UHFFFAOYSA-N 1 0 409.555 3.852 20 30 HHEDRO CCn1cc(Br)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479240022 999340251 /nfs/dbraw/zinc/34/02/51/999340251.db2.gz HESVWIPLWOTEMA-UHFFFAOYSA-N 1 0 415.335 3.559 20 30 HHEDRO CC(C)(C)c1noc2ncc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000479270032 999357191 /nfs/dbraw/zinc/35/71/91/999357191.db2.gz DFEMRHJFAWWSSL-UHFFFAOYSA-N 1 0 417.513 3.808 20 30 HHEDRO Cn1cc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000479280069 999362255 /nfs/dbraw/zinc/36/22/55/999362255.db2.gz JECQKCUTEHBRHC-UHFFFAOYSA-N 1 0 400.526 3.785 20 30 HHEDRO CC(C)c1noc2ncc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000479305385 999375899 /nfs/dbraw/zinc/37/58/99/999375899.db2.gz HESIOMVDDQMGBU-UHFFFAOYSA-N 1 0 403.486 3.634 20 30 HHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1C1CCCCC1 ZINC000479352233 999398977 /nfs/dbraw/zinc/39/89/77/999398977.db2.gz XTDXJBSZQAITNP-UHFFFAOYSA-N 1 0 405.546 3.985 20 30 HHEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488473039 999498855 /nfs/dbraw/zinc/49/88/55/999498855.db2.gz VWTWVFBETXBONR-IIBYNOLFSA-N 1 0 413.468 3.871 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2=O)cc1 ZINC000488477805 999500969 /nfs/dbraw/zinc/50/09/69/999500969.db2.gz KDYAYUMZXAQRQY-UXHICEINSA-N 1 0 410.315 3.699 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488490849 999505497 /nfs/dbraw/zinc/50/54/97/999505497.db2.gz UXPLWDZCFSAWBC-KNQAVFIVSA-N 1 0 421.541 3.753 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000488498073 999508407 /nfs/dbraw/zinc/50/84/07/999508407.db2.gz MXUDNYUCNMKHPL-YWZLYKJASA-N 1 0 417.431 3.951 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N[C@@H](C)C[NH+]2CCCCCC2)nnc1-c1ccco1 ZINC000479794426 999596498 /nfs/dbraw/zinc/59/64/98/999596498.db2.gz GHKUESRPYUQFJV-KRWDZBQOSA-N 1 0 417.579 3.587 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000488807502 999614530 /nfs/dbraw/zinc/61/45/30/999614530.db2.gz OZWGPIBVEDIJTK-HNAYVOBHSA-N 1 0 411.468 3.827 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488910114 999644249 /nfs/dbraw/zinc/64/42/49/999644249.db2.gz HDLOYNPWFHLVRF-MRXNPFEDSA-N 1 0 401.507 3.550 20 30 HHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H](C)C1 ZINC000488915772 999646126 /nfs/dbraw/zinc/64/61/26/999646126.db2.gz KLAWMWFLXUZZTK-SWXALCLLSA-N 1 0 410.562 3.620 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000488941004 999653024 /nfs/dbraw/zinc/65/30/24/999653024.db2.gz OMHLQVZXVQTDGA-HSZRJFAPSA-N 1 0 409.505 3.882 20 30 HHEDRO Cn1cc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479969691 999668443 /nfs/dbraw/zinc/66/84/43/999668443.db2.gz QRTVZSWBCJCGNQ-UHFFFAOYSA-N 1 0 422.492 3.896 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1Cl ZINC000489013465 999671753 /nfs/dbraw/zinc/67/17/53/999671753.db2.gz NERKZWMJKXCSIU-MRXNPFEDSA-N 1 0 402.857 3.618 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000489040104 999679975 /nfs/dbraw/zinc/67/99/75/999679975.db2.gz LXYDLTYZSVULIL-UHFFFAOYSA-N 1 0 409.530 3.920 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000489121864 999705858 /nfs/dbraw/zinc/70/58/58/999705858.db2.gz ZPAKYTQMLLYMKR-UHFFFAOYSA-N 1 0 423.513 3.904 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000489203420 999721660 /nfs/dbraw/zinc/72/16/60/999721660.db2.gz FPVVACNPBXOABC-GOSISDBHSA-N 1 0 417.575 3.833 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000480272075 999760794 /nfs/dbraw/zinc/76/07/94/999760794.db2.gz VYSLOJODXXCTCA-RHSMWYFYSA-N 1 0 410.453 3.727 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000480311166 999768500 /nfs/dbraw/zinc/76/85/00/999768500.db2.gz QUOYNLCTUJAXPS-RTBURBONSA-N 1 0 421.541 3.641 20 30 HHEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000480394717 999788649 /nfs/dbraw/zinc/78/86/49/999788649.db2.gz OWSWZNPUPFKPLX-NTKDMRAZSA-N 1 0 406.574 3.882 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nccc2ccccc21 ZINC000480482363 999809046 /nfs/dbraw/zinc/80/90/46/999809046.db2.gz LOMXEKHJJICAFE-UHFFFAOYSA-N 1 0 404.539 3.789 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489788160 999838339 /nfs/dbraw/zinc/83/83/39/999838339.db2.gz PDXUPKCEJWNMLE-UHFFFAOYSA-N 1 0 411.521 3.680 20 30 HHEDRO COc1cc(N[C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)cc(OC)c1 ZINC000490030238 999881140 /nfs/dbraw/zinc/88/11/40/999881140.db2.gz ZMHXCRRWFRNEOH-INIZCTEOSA-N 1 0 414.531 3.542 20 30 HHEDRO COc1cccc(NC2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000490091012 999891884 /nfs/dbraw/zinc/89/18/84/999891884.db2.gz RDTVOHVCPKSLJS-QHCPKHFHSA-N 1 0 404.514 3.639 20 30 HHEDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000490676342 999991975 /nfs/dbraw/zinc/99/19/75/999991975.db2.gz RHANYWDFAYDXGO-UHFFFAOYSA-N 1 0 424.545 3.627 20 30 HHEDRO C=CCN1CCC([NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)CC1 ZINC000491042738 1000038530 /nfs/dbraw/zinc/03/85/30/1000038530.db2.gz XKEYPFCPPHCJHY-JOCHJYFZSA-N 1 0 420.525 3.698 20 30 HHEDRO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491110214 1000046281 /nfs/dbraw/zinc/04/62/81/1000046281.db2.gz CDBJFCAPLODRLE-UHFFFAOYSA-N 1 0 403.505 3.806 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000492211012 1000115564 /nfs/dbraw/zinc/11/55/64/1000115564.db2.gz PJAAANQHHIUKLU-PXNSSMCTSA-N 1 0 406.486 3.917 20 30 HHEDRO N#CCCCOc1cccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000493137623 1000159518 /nfs/dbraw/zinc/15/95/18/1000159518.db2.gz IDZVLCAAXGOTQQ-UHFFFAOYSA-N 1 0 407.514 3.826 20 30 HHEDRO CSc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+](C)C)cc1 ZINC000493583102 1000180720 /nfs/dbraw/zinc/18/07/20/1000180720.db2.gz ZVHHRXICHWJMGI-FQEVSTJZSA-N 1 0 424.570 3.567 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493920255 1000214954 /nfs/dbraw/zinc/21/49/54/1000214954.db2.gz NTHMIZAZDPGENQ-UHFFFAOYSA-N 1 0 420.557 3.901 20 30 HHEDRO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000493966823 1000242192 /nfs/dbraw/zinc/24/21/92/1000242192.db2.gz MCVIYGQEQDYXHW-HXUWFJFHSA-N 1 0 417.488 3.616 20 30 HHEDRO N#CC1(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000504531766 1000254062 /nfs/dbraw/zinc/25/40/62/1000254062.db2.gz DHZQUJJKBBKHKX-HSZRJFAPSA-N 1 0 403.526 3.869 20 30 HHEDRO COc1ccc([C@H]2CC[N@H+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000504541164 1000259231 /nfs/dbraw/zinc/25/92/31/1000259231.db2.gz ZASQIFDHOCOGRH-IBGZPJMESA-N 1 0 416.443 3.671 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000494026800 1000274080 /nfs/dbraw/zinc/27/40/80/1000274080.db2.gz KCLDKAMVBWFEOJ-NSISKUIASA-N 1 0 416.591 3.828 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)c1 ZINC000494046068 1000281900 /nfs/dbraw/zinc/28/19/00/1000281900.db2.gz DJFJYKIGGMVSNB-PKTZIBPZSA-N 1 0 420.513 3.850 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000494068052 1000292115 /nfs/dbraw/zinc/29/21/15/1000292115.db2.gz DPIFODKYHLHVAB-AHRSYUTCSA-N 1 0 416.591 3.970 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000494126488 1000319369 /nfs/dbraw/zinc/31/93/69/1000319369.db2.gz NJMDIHWKEAYAAF-UHFFFAOYSA-N 1 0 422.348 3.859 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000494202195 1000360002 /nfs/dbraw/zinc/36/00/02/1000360002.db2.gz RZEULHNOBYPLGI-DEOSSOPVSA-N 1 0 407.562 3.517 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000494217935 1000369535 /nfs/dbraw/zinc/36/95/35/1000369535.db2.gz YTZARCSWTILVKI-OALUTQOASA-N 1 0 420.513 3.587 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)s1 ZINC000494244292 1000384306 /nfs/dbraw/zinc/38/43/06/1000384306.db2.gz HTOJNMIVQDBWSK-UHFFFAOYSA-N 1 0 422.348 3.859 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000494476003 1000512944 /nfs/dbraw/zinc/51/29/44/1000512944.db2.gz UFOLCKZMKZXFTP-LLBVYWAGSA-N 1 0 419.468 3.561 20 30 HHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000494484448 1000517692 /nfs/dbraw/zinc/51/76/92/1000517692.db2.gz KHAJNWUPFAEXSH-UHFFFAOYSA-N 1 0 403.935 3.891 20 30 HHEDRO COc1cccc([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+]2CCCC2)c1 ZINC000505180903 1000600555 /nfs/dbraw/zinc/60/05/55/1000600555.db2.gz YSBSBZIQKDPHNK-QFIPXVFZSA-N 1 0 407.489 3.691 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1C#N ZINC000494702887 1000612241 /nfs/dbraw/zinc/61/22/41/1000612241.db2.gz MAPRPOGZJOHZBJ-HXUWFJFHSA-N 1 0 424.545 3.838 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000505264532 1000655938 /nfs/dbraw/zinc/65/59/38/1000655938.db2.gz CZUPSCNWRZPNAK-RPBOFIJWSA-N 1 0 414.553 3.851 20 30 HHEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000494793740 1000660038 /nfs/dbraw/zinc/66/00/38/1000660038.db2.gz WAMGRUNPBVJAMG-QRVBRYPASA-N 1 0 412.578 3.867 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cc(Br)ccc2Cl)CC1 ZINC000494811918 1000671163 /nfs/dbraw/zinc/67/11/63/1000671163.db2.gz MFOSOGPTZMAKHY-UHFFFAOYSA-N 1 0 400.748 3.894 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2)c1 ZINC000505309375 1000690963 /nfs/dbraw/zinc/69/09/63/1000690963.db2.gz BPQSIJWSOLDEPT-FQEVSTJZSA-N 1 0 420.513 3.927 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000494847143 1000692768 /nfs/dbraw/zinc/69/27/68/1000692768.db2.gz OHUPBNDMBOMQBB-SFHVURJKSA-N 1 0 418.722 3.865 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505359805 1000723109 /nfs/dbraw/zinc/72/31/09/1000723109.db2.gz NKEHVVSZGSBDKG-UHFFFAOYSA-N 1 0 418.541 3.929 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)[NH+](C)C)cc1 ZINC000505459206 1000787946 /nfs/dbraw/zinc/78/79/46/1000787946.db2.gz YDIHROHCVLURSB-QHCPKHFHSA-N 1 0 401.514 3.648 20 30 HHEDRO C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505598372 1000927279 /nfs/dbraw/zinc/92/72/79/1000927279.db2.gz YUXZNBFVYCFGFY-PGRDOPGGSA-N 1 0 401.514 3.885 20 30 HHEDRO CC1(C)C[N@@H+](C2(CNC(=O)NC3(c4cccc(C#N)c4)CC3)CCCCC2)CCO1 ZINC000495255615 1000939858 /nfs/dbraw/zinc/93/98/58/1000939858.db2.gz JAVWUAXAUFIGIV-UHFFFAOYSA-N 1 0 410.562 3.660 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000505660895 1000961351 /nfs/dbraw/zinc/96/13/51/1000961351.db2.gz MWGHFFJNNVYFPA-HSZRJFAPSA-N 1 0 418.541 3.716 20 30 HHEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nnc2ccccn21 ZINC000495384639 1000993756 /nfs/dbraw/zinc/99/37/56/1000993756.db2.gz FRVPCTARSJXIHM-HXUWFJFHSA-N 1 0 422.558 3.857 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000495389526 1000995423 /nfs/dbraw/zinc/99/54/23/1000995423.db2.gz NBJWNZMOPBRFAN-UHFFFAOYSA-N 1 0 412.559 3.849 20 30 HHEDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000495450489 1001016658 /nfs/dbraw/zinc/01/66/58/1001016658.db2.gz QMALMSXCCNTFDP-MSOLQXFVSA-N 1 0 403.592 3.946 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000505866530 1001069046 /nfs/dbraw/zinc/06/90/46/1001069046.db2.gz RGXSNDLKKLGUIQ-QFIPXVFZSA-N 1 0 421.541 3.706 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000505919863 1001102220 /nfs/dbraw/zinc/10/22/20/1001102220.db2.gz VXWOUNICAIOKEX-TZIWHRDSSA-N 1 0 413.562 3.839 20 30 HHEDRO CCOc1c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)nn1CC(C)C ZINC000506283135 1001327674 /nfs/dbraw/zinc/32/76/74/1001327674.db2.gz YNKDJFFTEFKWJA-UHFFFAOYSA-N 1 0 409.578 3.826 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497393557 1001332278 /nfs/dbraw/zinc/33/22/78/1001332278.db2.gz YEJQNMIAAOCRJJ-MSOLQXFVSA-N 1 0 405.608 3.526 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000506486192 1001435444 /nfs/dbraw/zinc/43/54/44/1001435444.db2.gz FGUWIWJBOHRYOB-QHCPKHFHSA-N 1 0 409.530 3.743 20 30 HHEDRO Cc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nn1-c1cccc(C#N)c1 ZINC000506504793 1001443478 /nfs/dbraw/zinc/44/34/78/1001443478.db2.gz YCPBORVESGIJSI-NQIIRXRSSA-N 1 0 405.546 3.779 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000497690780 1001486597 /nfs/dbraw/zinc/48/65/97/1001486597.db2.gz YKYHKENYYDCCRH-GOSISDBHSA-N 1 0 414.525 3.672 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000497700906 1001490042 /nfs/dbraw/zinc/49/00/42/1001490042.db2.gz CHCDPINQSIGKBV-UHFFFAOYSA-N 1 0 411.546 3.941 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2c(ncn2-c2ccccc2)C1)C(C)C ZINC000498142686 1001661498 /nfs/dbraw/zinc/66/14/98/1001661498.db2.gz TZHFOGOEUGTENO-QHCPKHFHSA-N 1 0 407.562 3.639 20 30 HHEDRO N#CC1(NC(=O)c2cccc(F)c2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000498220663 1001704021 /nfs/dbraw/zinc/70/40/21/1001704021.db2.gz BMILGQFVAJOUTI-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc(OC)c1O ZINC000507022334 1001768388 /nfs/dbraw/zinc/76/83/88/1001768388.db2.gz NYIXXVADSJYFHJ-UHFFFAOYSA-N 1 0 412.505 3.797 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)C(C)C ZINC000498354846 1001791857 /nfs/dbraw/zinc/79/18/57/1001791857.db2.gz OJUAZKBCLNWNTH-LJQANCHMSA-N 1 0 419.932 3.797 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC(c3cn[nH]c3)CC2)c1C#N ZINC000507241312 1001926604 /nfs/dbraw/zinc/92/66/04/1001926604.db2.gz XWHNBTJKZPIQGK-UHFFFAOYSA-N 1 0 420.492 3.646 20 30 HHEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000498507164 1001929544 /nfs/dbraw/zinc/92/95/44/1001929544.db2.gz CLRCDYZKPZVGNZ-IBGZPJMESA-N 1 0 422.598 3.606 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)NC3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000498526744 1001948021 /nfs/dbraw/zinc/94/80/21/1001948021.db2.gz BNCKHBUOGKTQDJ-DHIUTWEWSA-N 1 0 416.525 3.833 20 30 HHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000507330034 1002004638 /nfs/dbraw/zinc/00/46/38/1002004638.db2.gz ZIPFOGXSOXHAJS-HSZRJFAPSA-N 1 0 415.534 3.751 20 30 HHEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000507425808 1002065506 /nfs/dbraw/zinc/06/55/06/1002065506.db2.gz WLGPFXYMRGYLTI-GCJKJVERSA-N 1 0 404.514 3.677 20 30 HHEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507426640 1002066120 /nfs/dbraw/zinc/06/61/20/1002066120.db2.gz HMXRADZRLBDFHX-VGOFRKELSA-N 1 0 404.514 3.623 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000498716437 1002098783 /nfs/dbraw/zinc/09/87/83/1002098783.db2.gz GXXYOAWXPVZTNL-SFHVURJKSA-N 1 0 407.562 3.932 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000498716436 1002099178 /nfs/dbraw/zinc/09/91/78/1002099178.db2.gz GXXYOAWXPVZTNL-GOSISDBHSA-N 1 0 407.562 3.932 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2OCCN2CCOCC2)CC1 ZINC000507578539 1002183171 /nfs/dbraw/zinc/18/31/71/1002183171.db2.gz GDSBCFOHLNBTAF-UHFFFAOYSA-N 1 0 419.569 3.891 20 30 HHEDRO C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507644913 1002245646 /nfs/dbraw/zinc/24/56/46/1002245646.db2.gz OIZMWZLSFLVJPT-HMBUKTRKSA-N 1 0 403.574 3.586 20 30 HHEDRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000499018351 1002395267 /nfs/dbraw/zinc/39/52/67/1002395267.db2.gz CKFRCBUCXGLGOK-LJQANCHMSA-N 1 0 413.543 3.501 20 30 HHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000508079806 1002601384 /nfs/dbraw/zinc/60/13/84/1002601384.db2.gz KIVIEURICBHTGE-UHFFFAOYSA-N 1 0 404.518 3.726 20 30 HHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508496810 1002979534 /nfs/dbraw/zinc/97/95/34/1002979534.db2.gz GPFIYYOXSAUDGI-ROUUACIJSA-N 1 0 413.541 3.596 20 30 HHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508503978 1002985968 /nfs/dbraw/zinc/98/59/68/1002985968.db2.gz IKPNLQAOKVNFOI-BDTNDASRSA-N 1 0 407.562 3.807 20 30 HHEDRO Cc1onc(CC(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c1C#N ZINC000499651468 1003013941 /nfs/dbraw/zinc/01/39/41/1003013941.db2.gz YOTSBAXXBLAXPI-UHFFFAOYSA-N 1 0 420.435 3.539 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1c(F)cccc1C#N ZINC000508566283 1003033211 /nfs/dbraw/zinc/03/32/11/1003033211.db2.gz FBPAPAOFSUZAGV-UHFFFAOYSA-N 1 0 407.411 3.849 20 30 HHEDRO Cc1cc(C)c(C)c(OCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000499741141 1003086408 /nfs/dbraw/zinc/08/64/08/1003086408.db2.gz HQSIXRNAHWSLCF-UHFFFAOYSA-N 1 0 405.542 3.987 20 30 HHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508741112 1003178516 /nfs/dbraw/zinc/17/85/16/1003178516.db2.gz UWVQQDQSTLIYNC-FQEVSTJZSA-N 1 0 409.578 3.918 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508795217 1003223489 /nfs/dbraw/zinc/22/34/89/1003223489.db2.gz NETLSNLTFXWHKA-REWPJTCUSA-N 1 0 416.573 3.920 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508808220 1003235065 /nfs/dbraw/zinc/23/50/65/1003235065.db2.gz GGSRGMQIYBDTDO-UHFFFAOYSA-N 1 0 403.477 3.797 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H](CO)c1cccc(Cl)c1F)CCCC2 ZINC000499938255 1003260851 /nfs/dbraw/zinc/26/08/51/1003260851.db2.gz YBCCNMKOSSNCGP-INIZCTEOSA-N 1 0 421.925 3.943 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000508847702 1003268602 /nfs/dbraw/zinc/26/86/02/1003268602.db2.gz LEWGUGPODFKZAZ-OAQYLSRUSA-N 1 0 402.546 3.935 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCCC1)c1ccccc1 ZINC000499954869 1003275066 /nfs/dbraw/zinc/27/50/66/1003275066.db2.gz RUAAXFJKMHDCNX-MRXNPFEDSA-N 1 0 424.932 3.930 20 30 HHEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508873419 1003293406 /nfs/dbraw/zinc/29/34/06/1003293406.db2.gz MZONSVXHEYNGPT-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508913549 1003352985 /nfs/dbraw/zinc/35/29/85/1003352985.db2.gz PIJDEUFFLBTZFZ-RXVVDRJESA-N 1 0 413.566 3.779 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1-c1nccs1 ZINC000508949187 1003404213 /nfs/dbraw/zinc/40/42/13/1003404213.db2.gz JMQJIFABYLZHED-UHFFFAOYSA-N 1 0 407.543 3.626 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508999390 1003470971 /nfs/dbraw/zinc/47/09/71/1003470971.db2.gz PMKAKKKMRSVACP-NRFANRHFSA-N 1 0 402.546 3.793 20 30 HHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000509009936 1003480402 /nfs/dbraw/zinc/48/04/02/1003480402.db2.gz GDNDKSSETDFWQY-NHCUHLMSSA-N 1 0 414.642 3.582 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500123152 1003485352 /nfs/dbraw/zinc/48/53/52/1003485352.db2.gz JYGWASDFHZYVOO-UHFFFAOYSA-N 1 0 401.404 3.608 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000500155570 1003510715 /nfs/dbraw/zinc/51/07/15/1003510715.db2.gz KEKLCRWUINBYNB-IBGZPJMESA-N 1 0 416.541 3.618 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)s1 ZINC000509369710 1003798601 /nfs/dbraw/zinc/79/86/01/1003798601.db2.gz FEOWTCHXDHQQGY-LBPRGKRZSA-N 1 0 405.321 3.628 20 30 HHEDRO Cc1onc(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000500592440 1003805840 /nfs/dbraw/zinc/80/58/40/1003805840.db2.gz ORPCZQVAAHWDOL-QRWLVFNGSA-N 1 0 420.435 3.615 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000509432643 1003858515 /nfs/dbraw/zinc/85/85/15/1003858515.db2.gz ATNVQSYTUXNAKW-UHFFFAOYSA-N 1 0 406.530 3.763 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1)C1CC1 ZINC000509471262 1003886765 /nfs/dbraw/zinc/88/67/65/1003886765.db2.gz WGYDWPAUTDEBJG-DEOSSOPVSA-N 1 0 402.542 3.694 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cccc(C#N)c3C)CC2)c1C ZINC000509517063 1003917790 /nfs/dbraw/zinc/91/77/90/1003917790.db2.gz SCZMCPXEECBHSQ-UHFFFAOYSA-N 1 0 406.530 3.624 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000500744871 1003933495 /nfs/dbraw/zinc/93/34/95/1003933495.db2.gz GCSRDYVOLUQIQS-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO O=C(NCC#Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512039530 1003974311 /nfs/dbraw/zinc/97/43/11/1003974311.db2.gz DYTABYBWIPYSTQ-HXUWFJFHSA-N 1 0 401.432 3.631 20 30 HHEDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH2+][C@H](C)c1ccccc1 ZINC000500916127 1004049738 /nfs/dbraw/zinc/04/97/38/1004049738.db2.gz FWKUNZOWMZTCCB-UTKZUKDTSA-N 1 0 417.550 3.882 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1Br ZINC000509720609 1004051021 /nfs/dbraw/zinc/05/10/21/1004051021.db2.gz KEPYJVIJNJSWEH-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512147556 1004057174 /nfs/dbraw/zinc/05/71/74/1004057174.db2.gz LELQMBUHGTWOIV-PGRDOPGGSA-N 1 0 419.573 3.522 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512148752 1004058103 /nfs/dbraw/zinc/05/81/03/1004058103.db2.gz OWHAGWKVODMQLJ-KKSFZXQISA-N 1 0 423.536 3.602 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1nc(-c2ccccc2)no1 ZINC000512196625 1004097353 /nfs/dbraw/zinc/09/73/53/1004097353.db2.gz OTKDGWAMDPRBRJ-UHFFFAOYSA-N 1 0 421.526 3.662 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000509809324 1004115151 /nfs/dbraw/zinc/11/51/51/1004115151.db2.gz UJXPAQWFPMUBTG-OPYAIIAOSA-N 1 0 412.553 3.778 20 30 HHEDRO CCC[C@@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCOC1 ZINC000512261907 1004163627 /nfs/dbraw/zinc/16/36/27/1004163627.db2.gz ORVYNEPRGCQENU-HSZRJFAPSA-N 1 0 412.509 3.651 20 30 HHEDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000512276633 1004176920 /nfs/dbraw/zinc/17/69/20/1004176920.db2.gz MGIZEZBNODPQRN-GHTZIAJQSA-N 1 0 408.571 3.683 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)C2=O)cc1 ZINC000512292353 1004195772 /nfs/dbraw/zinc/19/57/72/1004195772.db2.gz GWJLLPKMPUFPGC-AHWVRZQESA-N 1 0 414.553 3.652 20 30 HHEDRO CC(C)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+]1CCC(C)CC1 ZINC000501135176 1004226895 /nfs/dbraw/zinc/22/68/95/1004226895.db2.gz PEDHEGPXTHWBOS-HSZRJFAPSA-N 1 0 411.594 3.536 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000501139157 1004229825 /nfs/dbraw/zinc/22/98/25/1004229825.db2.gz GYICKBHCFORIFX-JOCHJYFZSA-N 1 0 418.541 3.593 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000512374856 1004255702 /nfs/dbraw/zinc/25/57/02/1004255702.db2.gz YRTQOCMWYKDQAL-XMMPIXPASA-N 1 0 421.541 3.704 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1C#N ZINC000512428466 1004295108 /nfs/dbraw/zinc/29/51/08/1004295108.db2.gz UVJUIHGDNBALDO-AVRDEDQJSA-N 1 0 422.573 3.979 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000510079319 1004308382 /nfs/dbraw/zinc/30/83/82/1004308382.db2.gz MNRFJEYKHKXBGF-KRWDZBQOSA-N 1 0 406.592 3.953 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512459968 1004319200 /nfs/dbraw/zinc/31/92/00/1004319200.db2.gz MQKGXKULLRXVIQ-HIFRSBDPSA-N 1 0 415.481 3.508 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1)C1CC1 ZINC000510105135 1004327407 /nfs/dbraw/zinc/32/74/07/1004327407.db2.gz LGZVQVQLLLMLHU-DEOSSOPVSA-N 1 0 402.542 3.521 20 30 HHEDRO N#C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1Cc1ccccc1 ZINC000510156037 1004363237 /nfs/dbraw/zinc/36/32/37/1004363237.db2.gz IANXWUHOKLQBRP-DEOSSOPVSA-N 1 0 402.542 3.523 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501388323 1004384262 /nfs/dbraw/zinc/38/42/62/1004384262.db2.gz UCVMKAYYZZFWFA-FPOVZHCZSA-N 1 0 411.546 3.770 20 30 HHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000510211413 1004397873 /nfs/dbraw/zinc/39/78/73/1004397873.db2.gz OANHAVIEGDMBOZ-UHFFFAOYSA-N 1 0 423.536 3.571 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000501424778 1004412511 /nfs/dbraw/zinc/41/25/11/1004412511.db2.gz JVBAHXRJWFAYIX-PMACEKPBSA-N 1 0 420.347 3.583 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)CC1 ZINC000512635919 1004448014 /nfs/dbraw/zinc/44/80/14/1004448014.db2.gz JAEANECMQKZMCT-UHFFFAOYSA-N 1 0 415.578 3.855 20 30 HHEDRO CSc1cc2c(cc1C[NH+]1CCC(C(=O)Nc3cccc(C#N)c3)CC1)OCCO2 ZINC000512648116 1004459430 /nfs/dbraw/zinc/45/94/30/1004459430.db2.gz KCTIHPAGJSGZPQ-UHFFFAOYSA-N 1 0 423.538 3.902 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2)CC1 ZINC000510347745 1004498370 /nfs/dbraw/zinc/49/83/70/1004498370.db2.gz JJTXUPZADJCSED-UHFFFAOYSA-N 1 0 410.521 3.876 20 30 HHEDRO COc1ccccc1[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)[NH+](C)C ZINC000512712421 1004511272 /nfs/dbraw/zinc/51/12/72/1004511272.db2.gz QQGQMSHEVRXZFV-IBGZPJMESA-N 1 0 412.440 3.853 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512739925 1004529931 /nfs/dbraw/zinc/52/99/31/1004529931.db2.gz MHQBAFFEXRPCRW-QFBILLFUSA-N 1 0 417.600 3.524 20 30 HHEDRO Cn1nc(CCC[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc1-c1ccc(F)cc1 ZINC000510434538 1004564773 /nfs/dbraw/zinc/56/47/73/1004564773.db2.gz FEGSPUFCMVCJHJ-UHFFFAOYSA-N 1 0 402.477 3.810 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)c(F)c1 ZINC000512801264 1004566588 /nfs/dbraw/zinc/56/65/88/1004566588.db2.gz KNVJZQSBUGMWAR-UHFFFAOYSA-N 1 0 403.404 3.848 20 30 HHEDRO CCCS(=O)(=O)Nc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000512819642 1004579125 /nfs/dbraw/zinc/57/91/25/1004579125.db2.gz GSCNTVRJTXKGPY-UHFFFAOYSA-N 1 0 412.559 3.786 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCCN3CCN(c4ccccc4)CC3)CC2)c(F)c1 ZINC000512823190 1004582334 /nfs/dbraw/zinc/58/23/34/1004582334.db2.gz JQDNIVRYHROJPV-UHFFFAOYSA-N 1 0 422.548 3.753 20 30 HHEDRO CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512839584 1004599618 /nfs/dbraw/zinc/59/96/18/1004599618.db2.gz SSBDSHIBBQMIFI-FQEVSTJZSA-N 1 0 416.447 3.993 20 30 HHEDRO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512843295 1004603724 /nfs/dbraw/zinc/60/37/24/1004603724.db2.gz FZLMININCILNHM-IRXDYDNUSA-N 1 0 407.489 3.907 20 30 HHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000512843963 1004605583 /nfs/dbraw/zinc/60/55/83/1004605583.db2.gz FFRWFUTZAIPBJO-UHFFFAOYSA-N 1 0 406.511 3.743 20 30 HHEDRO Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000510550938 1004687761 /nfs/dbraw/zinc/68/77/61/1004687761.db2.gz TZBJXBKBFKTPRP-WZONZLPQSA-N 1 0 401.514 3.782 20 30 HHEDRO Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000510550935 1004687765 /nfs/dbraw/zinc/68/77/65/1004687765.db2.gz TZBJXBKBFKTPRP-FDDCHVKYSA-N 1 0 401.514 3.782 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000501756334 1004687715 /nfs/dbraw/zinc/68/77/15/1004687715.db2.gz RXWBEPJYSCPVDN-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000501775982 1004715008 /nfs/dbraw/zinc/71/50/08/1004715008.db2.gz QQDQMTOAZLLMSK-SFHVURJKSA-N 1 0 402.608 3.931 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510592268 1004739315 /nfs/dbraw/zinc/73/93/15/1004739315.db2.gz PEGWJUKKZQNYDX-FQEVSTJZSA-N 1 0 424.570 3.552 20 30 HHEDRO C=C(C)CN1CCC([NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000510712353 1004812160 /nfs/dbraw/zinc/81/21/60/1004812160.db2.gz BBDZCFFBABJUFD-UHFFFAOYSA-N 1 0 419.997 3.776 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513118915 1004816706 /nfs/dbraw/zinc/81/67/06/1004816706.db2.gz QWMDFLCGSPBLHX-UHFFFAOYSA-N 1 0 424.455 3.618 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000513389758 1004938957 /nfs/dbraw/zinc/93/89/57/1004938957.db2.gz WSSDQSBQGKDDBS-OYRHEFFESA-N 1 0 416.569 3.856 20 30 HHEDRO C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502178202 1004940942 /nfs/dbraw/zinc/94/09/42/1004940942.db2.gz YULRHHPAWFEJAO-INIZCTEOSA-N 1 0 424.932 3.567 20 30 HHEDRO Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC000502200075 1004954119 /nfs/dbraw/zinc/95/41/19/1004954119.db2.gz ZVVWAKQNIGMONK-UHFFFAOYSA-N 1 0 402.502 3.554 20 30 HHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)Cc1cccc(C#N)c1)C1CCCCC1 ZINC000511059594 1005001905 /nfs/dbraw/zinc/00/19/05/1005001905.db2.gz BFPPQFXGIMQMDO-UHFFFAOYSA-N 1 0 411.571 3.942 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cncc(Br)c1 ZINC000511115210 1005025699 /nfs/dbraw/zinc/02/56/99/1005025699.db2.gz LKGOGXJTKSOIQL-UHFFFAOYSA-N 1 0 422.396 3.942 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000502381455 1005047791 /nfs/dbraw/zinc/04/77/91/1005047791.db2.gz ZWFIKMDNUIYKDY-JOCHJYFZSA-N 1 0 412.603 3.825 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000511157498 1005049821 /nfs/dbraw/zinc/04/98/21/1005049821.db2.gz RJJKADWQRPZYQM-HXUWFJFHSA-N 1 0 417.962 3.791 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000513626956 1005055722 /nfs/dbraw/zinc/05/57/22/1005055722.db2.gz HSSWBTVYWUBLOK-UHFFFAOYSA-N 1 0 408.546 3.579 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000502406383 1005061526 /nfs/dbraw/zinc/06/15/26/1005061526.db2.gz WGAMQZZXZILDNR-OAQYLSRUSA-N 1 0 411.937 3.712 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511214911 1005077992 /nfs/dbraw/zinc/07/79/92/1005077992.db2.gz GKYBKDDCGZFFHY-HKUYNNGSSA-N 1 0 400.523 3.945 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511240718 1005087051 /nfs/dbraw/zinc/08/70/51/1005087051.db2.gz IITKPNWNLCZUHG-DENIHFKCSA-N 1 0 418.541 3.947 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c(C)c1C ZINC000511252055 1005092249 /nfs/dbraw/zinc/09/22/49/1005092249.db2.gz KKZUIEYVJUXXAN-ZWKOTPCHSA-N 1 0 400.592 3.740 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513720971 1005095858 /nfs/dbraw/zinc/09/58/58/1005095858.db2.gz QZGACHRNKDSVDR-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)ccc1OCC(C)C ZINC000513783791 1005124714 /nfs/dbraw/zinc/12/47/14/1005124714.db2.gz FLFRINXCDYPIBR-QGZVFWFLSA-N 1 0 416.543 3.726 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000502604641 1005136633 /nfs/dbraw/zinc/13/66/33/1005136633.db2.gz FSHCGGHFTCBPBX-UHFFFAOYSA-N 1 0 421.545 3.697 20 30 HHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000511501786 1005202807 /nfs/dbraw/zinc/20/28/07/1005202807.db2.gz AGMNGCSEBNCDHY-KRWDZBQOSA-N 1 0 405.502 3.806 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)CSCc3ccc(C#N)cc3)c2)CC1 ZINC000502866519 1005249912 /nfs/dbraw/zinc/24/99/12/1005249912.db2.gz DGXJSZZSMLWPAO-UHFFFAOYSA-N 1 0 408.571 3.961 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000511701545 1005283378 /nfs/dbraw/zinc/28/33/78/1005283378.db2.gz HFFZXJHIKKPWAC-TZIWHRDSSA-N 1 0 421.541 3.607 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511717214 1005290137 /nfs/dbraw/zinc/29/01/37/1005290137.db2.gz VUDSXVPVVHQIQO-UHFFFAOYSA-N 1 0 411.596 3.770 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000511729143 1005295811 /nfs/dbraw/zinc/29/58/11/1005295811.db2.gz DLWGWTGLUMRRBQ-SJLPKXTDSA-N 1 0 424.932 3.567 20 30 HHEDRO C[N@H+](CCOc1cccc(CNc2ccc([N+](=O)[O-])cc2C#N)c1)C1CCOCC1 ZINC000514188770 1005304150 /nfs/dbraw/zinc/30/41/50/1005304150.db2.gz BZZYTVTWEHXUMC-UHFFFAOYSA-N 1 0 410.474 3.568 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000511746696 1005304968 /nfs/dbraw/zinc/30/49/68/1005304968.db2.gz UMIZVGWTEVSCFZ-SFHVURJKSA-N 1 0 403.461 3.734 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000503009694 1005314313 /nfs/dbraw/zinc/31/43/13/1005314313.db2.gz PJUGDCNFEPCVDL-HXUWFJFHSA-N 1 0 423.557 3.951 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000514247732 1005332608 /nfs/dbraw/zinc/33/26/08/1005332608.db2.gz FLRLVZGXMQHIEX-QFIPXVFZSA-N 1 0 419.573 3.505 20 30 HHEDRO CCC[C@@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000514338414 1005338716 /nfs/dbraw/zinc/33/87/16/1005338716.db2.gz VFXICWHBSAJJPT-XMMPIXPASA-N 1 0 404.558 3.724 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCc2ccccn2)c1C#N ZINC000503190963 1005365483 /nfs/dbraw/zinc/36/54/83/1005365483.db2.gz DPUHBERONWYWFH-UHFFFAOYSA-N 1 0 405.502 3.516 20 30 HHEDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000503387120 1005405148 /nfs/dbraw/zinc/40/51/48/1005405148.db2.gz HEOOYBSRVHMFGG-XMSQKQJNSA-N 1 0 413.525 3.835 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H]2CCCC23CCOCC3)c1C#N ZINC000503432898 1005418961 /nfs/dbraw/zinc/41/89/61/1005418961.db2.gz IFPMBTHVEQTMNA-OAQYLSRUSA-N 1 0 424.545 3.885 20 30 HHEDRO CCN(CC)C(=O)c1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000503451922 1005424586 /nfs/dbraw/zinc/42/45/86/1005424586.db2.gz CFFJBCRQGBHTLT-UHFFFAOYSA-N 1 0 421.545 3.636 20 30 HHEDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)sc1Br ZINC000503926272 1005513545 /nfs/dbraw/zinc/51/35/45/1005513545.db2.gz JANZSRQQAMSYEJ-INIZCTEOSA-N 1 0 404.333 3.976 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC(C)C ZINC000503930944 1005514599 /nfs/dbraw/zinc/51/45/99/1005514599.db2.gz PQPAADPPHFOISQ-OAQYLSRUSA-N 1 0 407.514 3.887 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccccc1I)C(C)C ZINC000503982221 1005525429 /nfs/dbraw/zinc/52/54/29/1005525429.db2.gz YYRCBQWGEXLTMQ-KRWDZBQOSA-N 1 0 412.315 3.720 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504073535 1005546470 /nfs/dbraw/zinc/54/64/70/1005546470.db2.gz BDTLDUFPWXTKJU-MHECFPHRSA-N 1 0 413.562 3.939 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c2)CC1 ZINC000504392987 1005616405 /nfs/dbraw/zinc/61/64/05/1005616405.db2.gz AWRHPUBUZDRNPJ-NRFANRHFSA-N 1 0 419.573 3.964 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000504399619 1005618702 /nfs/dbraw/zinc/61/87/02/1005618702.db2.gz RLHYBAQTHHKEPR-UHFFFAOYSA-N 1 0 423.582 3.974 20 30 HHEDRO N#CC1(F)CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000504436544 1005628498 /nfs/dbraw/zinc/62/84/98/1005628498.db2.gz YNWXJXDYGMNYNM-FCHUYYIVSA-N 1 0 406.505 3.692 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(-c2ccccc2)n1C ZINC000534056999 1006027807 /nfs/dbraw/zinc/02/78/07/1006027807.db2.gz UKRHEGSKUAXJRJ-UHFFFAOYSA-N 1 0 423.590 3.580 20 30 HHEDRO COc1ccc(COCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000534061983 1006033857 /nfs/dbraw/zinc/03/38/57/1006033857.db2.gz DBIUEADOSPCFAQ-UHFFFAOYSA-N 1 0 421.541 3.598 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)NCCc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000514623322 1006056645 /nfs/dbraw/zinc/05/66/45/1006056645.db2.gz FFXUKASVJUMXFM-QFIPXVFZSA-N 1 0 406.530 3.636 20 30 HHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000514734237 1006094457 /nfs/dbraw/zinc/09/44/57/1006094457.db2.gz DFQKNJFYVVHFCB-UHFFFAOYSA-N 1 0 401.466 3.687 20 30 HHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)c(C(F)(F)F)c1 ZINC000514820964 1006152832 /nfs/dbraw/zinc/15/28/32/1006152832.db2.gz WCKBANCBCLOINU-HXUWFJFHSA-N 1 0 407.411 3.879 20 30 HHEDRO C[NH+](C)CCOc1cc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccn1 ZINC000534225251 1006221418 /nfs/dbraw/zinc/22/14/18/1006221418.db2.gz BMCKBKIQPBXWGY-UHFFFAOYSA-N 1 0 416.481 3.616 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534381574 1006351735 /nfs/dbraw/zinc/35/17/35/1006351735.db2.gz YTCKIKAPJGDKTF-WBVHZDCISA-N 1 0 401.576 3.964 20 30 HHEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000531715612 1006374939 /nfs/dbraw/zinc/37/49/39/1006374939.db2.gz SKLNHESNOBVBTH-APWZRJJASA-N 1 0 410.493 3.682 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000534410327 1006386071 /nfs/dbraw/zinc/38/60/71/1006386071.db2.gz FALOANSFHJZECP-JOCHJYFZSA-N 1 0 419.573 3.885 20 30 HHEDRO CC1CC(C#N)(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000531812397 1006445560 /nfs/dbraw/zinc/44/55/60/1006445560.db2.gz UETRPRMJPMFZRB-UHFFFAOYSA-N 1 0 402.542 3.883 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000515445237 1006468066 /nfs/dbraw/zinc/46/80/66/1006468066.db2.gz LJAXUAWABPKYJF-UHFFFAOYSA-N 1 0 400.498 3.896 20 30 HHEDRO CC(C)Oc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515463539 1006481409 /nfs/dbraw/zinc/48/14/09/1006481409.db2.gz OYTZRLOPKUPMEE-UHFFFAOYSA-N 1 0 420.557 3.805 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2ccccc2SCC#N)C[C@H](C)O1 ZINC000515664790 1006580056 /nfs/dbraw/zinc/58/00/56/1006580056.db2.gz IDHKQGNMCAIJGC-ROUUACIJSA-N 1 0 424.570 3.962 20 30 HHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000515704831 1006601784 /nfs/dbraw/zinc/60/17/84/1006601784.db2.gz QXYJDFILEDSNFL-UHFFFAOYSA-N 1 0 416.591 3.745 20 30 HHEDRO C=C[C@H](CC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1)c1ccccc1 ZINC000534767091 1006765872 /nfs/dbraw/zinc/76/58/72/1006765872.db2.gz ZAHBXCCHJIWLIR-OAQYLSRUSA-N 1 0 413.606 3.820 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C#N ZINC000516150610 1006919932 /nfs/dbraw/zinc/91/99/32/1006919932.db2.gz VJVLGXNHMLYQRT-UHFFFAOYSA-N 1 0 419.329 3.723 20 30 HHEDRO CC(C)C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1ccc(C#N)cc1 ZINC000532499666 1006940267 /nfs/dbraw/zinc/94/02/67/1006940267.db2.gz HKMVEFJWVYGBNN-UHFFFAOYSA-N 1 0 408.458 3.923 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](CCCO)CC(C)(C)C)c1C#N ZINC000532552326 1006984296 /nfs/dbraw/zinc/98/42/96/1006984296.db2.gz FKBHJVAUGAOIOA-UHFFFAOYSA-N 1 0 410.562 3.694 20 30 HHEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538719369 1006993483 /nfs/dbraw/zinc/99/34/83/1006993483.db2.gz FYXALILGYQYADM-DNQXCXABSA-N 1 0 406.526 3.889 20 30 HHEDRO C=CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732821 1007013187 /nfs/dbraw/zinc/01/31/87/1007013187.db2.gz VHQSNIDDGIBIMM-KRWDZBQOSA-N 1 0 403.465 3.736 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000534975651 1007033560 /nfs/dbraw/zinc/03/35/60/1007033560.db2.gz IHVZHEURFVGKKT-UHFFFAOYSA-N 1 0 415.353 3.914 20 30 HHEDRO C[C@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000516369885 1007046274 /nfs/dbraw/zinc/04/62/74/1007046274.db2.gz UKMRCFBETIXCKK-NRFANRHFSA-N 1 0 419.573 3.516 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000532716439 1007128215 /nfs/dbraw/zinc/12/82/15/1007128215.db2.gz QHEQJGPODTZTDO-HKUYNNGSSA-N 1 0 402.560 3.938 20 30 HHEDRO CCC1(CNC(=O)C(=O)Nc2cccc(C#N)c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000532834491 1007217262 /nfs/dbraw/zinc/21/72/62/1007217262.db2.gz ZRWBFOZYNIZOJO-UHFFFAOYSA-N 1 0 418.541 3.614 20 30 HHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)C2)CC1 ZINC000535190513 1007236776 /nfs/dbraw/zinc/23/67/76/1007236776.db2.gz LONMPWNDROKXKX-IBGZPJMESA-N 1 0 409.559 3.801 20 30 HHEDRO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000539085783 1007374638 /nfs/dbraw/zinc/37/46/38/1007374638.db2.gz WCTSRTLGJAFELQ-CQSZACIVSA-N 1 0 402.292 3.706 20 30 HHEDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000539088067 1007376805 /nfs/dbraw/zinc/37/68/05/1007376805.db2.gz ZFMFOHABKPISSG-AWEZNQCLSA-N 1 0 405.376 3.972 20 30 HHEDRO C=C[C@@H](CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000535356377 1007413112 /nfs/dbraw/zinc/41/31/12/1007413112.db2.gz VKVKROYDPCBXIE-GOTSBHOMSA-N 1 0 418.585 3.802 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000517131648 1007445527 /nfs/dbraw/zinc/44/55/27/1007445527.db2.gz GUJAEDQTFVQFOY-JOCHJYFZSA-N 1 0 408.502 3.829 20 30 HHEDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000539162014 1007461862 /nfs/dbraw/zinc/46/18/62/1007461862.db2.gz XBCUPZIIVKKMSW-UHFFFAOYSA-N 1 0 420.557 3.914 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000517243561 1007513697 /nfs/dbraw/zinc/51/36/97/1007513697.db2.gz UKKSEFVPMPAYCS-YWZLYKJASA-N 1 0 411.468 3.771 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000539231196 1007524723 /nfs/dbraw/zinc/52/47/23/1007524723.db2.gz QBWXOWYVCGLXHB-SFHVURJKSA-N 1 0 412.493 3.778 20 30 HHEDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc(COc4ccccc4C#N)o3)n1)OC2 ZINC000517262172 1007525165 /nfs/dbraw/zinc/52/51/65/1007525165.db2.gz BOEWYAUUCFXOFR-KNQAVFIVSA-N 1 0 406.442 3.706 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(O)ccc3Br)C2)c(F)c1 ZINC000533201548 1007532050 /nfs/dbraw/zinc/53/20/50/1007532050.db2.gz KRBVXWIRPYERDQ-OAHLLOKOSA-N 1 0 404.283 3.924 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)CC1 ZINC000517325301 1007568185 /nfs/dbraw/zinc/56/81/85/1007568185.db2.gz NCIUTBRDQHKVTG-UHFFFAOYSA-N 1 0 422.455 3.757 20 30 HHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000539277667 1007572139 /nfs/dbraw/zinc/57/21/39/1007572139.db2.gz SMKWHHBHXZRDEK-IBGZPJMESA-N 1 0 403.324 3.536 20 30 HHEDRO C=CCOc1cccnc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000539291465 1007589206 /nfs/dbraw/zinc/58/92/06/1007589206.db2.gz BWZZKPCGOYZLRU-UHFFFAOYSA-N 1 0 408.502 3.713 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)c1C#N ZINC000533280631 1007592431 /nfs/dbraw/zinc/59/24/31/1007592431.db2.gz LVWUYTDHMYPUBI-QFIPXVFZSA-N 1 0 419.573 3.524 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@@H+](C3CCCC3)CC1)CCCC2 ZINC000533296191 1007611710 /nfs/dbraw/zinc/61/17/10/1007611710.db2.gz VNAWWEVCNBNXSF-UHFFFAOYSA-N 1 0 400.592 3.777 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000517440167 1007661800 /nfs/dbraw/zinc/66/18/00/1007661800.db2.gz KNEPSIPFXORJFF-BKTGTZMESA-N 1 0 400.910 3.784 20 30 HHEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000539365514 1007669408 /nfs/dbraw/zinc/66/94/08/1007669408.db2.gz YCANMLLILGZGBS-FGZHOGPDSA-N 1 0 424.520 3.745 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000535819495 1007830413 /nfs/dbraw/zinc/83/04/13/1007830413.db2.gz VIIHBZQDCZCHCR-UHFFFAOYSA-N 1 0 404.514 3.944 20 30 HHEDRO COC(=O)CC1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCCC1 ZINC000533527503 1007847453 /nfs/dbraw/zinc/84/74/53/1007847453.db2.gz SFXIALOLQQWPHG-UHFFFAOYSA-N 1 0 403.548 3.683 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000517746392 1007942981 /nfs/dbraw/zinc/94/29/81/1007942981.db2.gz PKRUXBDXTKCEEE-JOCHJYFZSA-N 1 0 421.545 3.600 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000517746393 1007943423 /nfs/dbraw/zinc/94/34/23/1007943423.db2.gz PKRUXBDXTKCEEE-QFIPXVFZSA-N 1 0 421.545 3.600 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2C)[NH+](CC)CC)cc1 ZINC000517765101 1007951571 /nfs/dbraw/zinc/95/15/71/1007951571.db2.gz WAYHSULTODVWAU-QFIPXVFZSA-N 1 0 406.530 3.567 20 30 HHEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000539679025 1007999079 /nfs/dbraw/zinc/99/90/79/1007999079.db2.gz NTMAKYLKVBPFMD-CQSZACIVSA-N 1 0 406.349 3.842 20 30 HHEDRO C=CCCOCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000536035259 1008069154 /nfs/dbraw/zinc/06/91/54/1008069154.db2.gz LGZSTQQGXWKWTA-PKOBYXMFSA-N 1 0 413.484 3.980 20 30 HHEDRO CCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000533760413 1008085641 /nfs/dbraw/zinc/08/56/41/1008085641.db2.gz CZGGRIALHQCFSF-UHFFFAOYSA-N 1 0 421.545 3.633 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000517987751 1008088545 /nfs/dbraw/zinc/08/85/45/1008088545.db2.gz CLDDOXYXDCVUPE-UHFFFAOYSA-N 1 0 418.516 3.988 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cc1ccccc1 ZINC000533812934 1008129108 /nfs/dbraw/zinc/12/91/08/1008129108.db2.gz QZIXZMPVJBERCL-OAQYLSRUSA-N 1 0 400.482 3.648 20 30 HHEDRO N#CC1(c2ccccc2)CCC(Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000539932192 1008191363 /nfs/dbraw/zinc/19/13/63/1008191363.db2.gz QXKQRTDIJMZVDN-XRODLIKFSA-N 1 0 402.542 3.952 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000539943130 1008197157 /nfs/dbraw/zinc/19/71/57/1008197157.db2.gz CVUHFBYUQNFKKP-UHFFFAOYSA-N 1 0 407.514 3.718 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000518402198 1008289756 /nfs/dbraw/zinc/28/97/56/1008289756.db2.gz PUQJUGHMGZSVLX-PGRDOPGGSA-N 1 0 408.571 3.926 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)[NH+]1CCCC1 ZINC000518462960 1008317982 /nfs/dbraw/zinc/31/79/82/1008317982.db2.gz DWTMIOOPXFCZRH-OXQOHEQNSA-N 1 0 424.932 3.534 20 30 HHEDRO CCC(CC)[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+]1CCCC1 ZINC000518471149 1008319908 /nfs/dbraw/zinc/31/99/08/1008319908.db2.gz JLVQBVOSXRGPKS-QHCPKHFHSA-N 1 0 411.594 3.681 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)CC1 ZINC000518517145 1008334753 /nfs/dbraw/zinc/33/47/53/1008334753.db2.gz IBMLNTORCBNZTN-UHFFFAOYSA-N 1 0 400.548 3.515 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000518573842 1008351488 /nfs/dbraw/zinc/35/14/88/1008351488.db2.gz XDQWDVHWPKMMPK-UHFFFAOYSA-N 1 0 420.513 3.588 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1)CC(C)C ZINC000540288685 1008369211 /nfs/dbraw/zinc/36/92/11/1008369211.db2.gz FROBZEQHQIRCLT-UHFFFAOYSA-N 1 0 418.969 3.757 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000540299264 1008371883 /nfs/dbraw/zinc/37/18/83/1008371883.db2.gz WLOLFUZODSVCIV-UHFFFAOYSA-N 1 0 410.415 3.645 20 30 HHEDRO CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000518659057 1008382755 /nfs/dbraw/zinc/38/27/55/1008382755.db2.gz WQLWBANXLJGTKS-UHFFFAOYSA-N 1 0 404.514 3.692 20 30 HHEDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000540330188 1008383431 /nfs/dbraw/zinc/38/34/31/1008383431.db2.gz PBXHMBNCXVGQSC-LJQANCHMSA-N 1 0 413.543 3.549 20 30 HHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@@H]1C ZINC000540343586 1008390212 /nfs/dbraw/zinc/39/02/12/1008390212.db2.gz XVYJTZNVQXWGFK-PMACEKPBSA-N 1 0 420.557 3.567 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000540350558 1008393499 /nfs/dbraw/zinc/39/34/99/1008393499.db2.gz AFBGDOWHHNNURY-SFHVURJKSA-N 1 0 421.522 3.657 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccncc1 ZINC000540352896 1008394826 /nfs/dbraw/zinc/39/48/26/1008394826.db2.gz SJIZKKBXUNHCOM-HOOSLVGPSA-N 1 0 424.545 3.763 20 30 HHEDRO C[C@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000518703815 1008398305 /nfs/dbraw/zinc/39/83/05/1008398305.db2.gz KIEVMLWSPZVOMO-FQEVSTJZSA-N 1 0 405.546 3.521 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540387157 1008411347 /nfs/dbraw/zinc/41/13/47/1008411347.db2.gz PALCBZVURGVFGX-ROUUACIJSA-N 1 0 405.477 3.997 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000518772618 1008417653 /nfs/dbraw/zinc/41/76/53/1008417653.db2.gz QBGFINUUQHISFU-UHFFFAOYSA-N 1 0 405.542 3.872 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccccc1 ZINC000540458481 1008440157 /nfs/dbraw/zinc/44/01/57/1008440157.db2.gz OCTQBDFETJDEBG-HXUWFJFHSA-N 1 0 420.492 3.914 20 30 HHEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000540468465 1008443471 /nfs/dbraw/zinc/44/34/71/1008443471.db2.gz PCSVFSPFEUMQBF-UGKGYDQZSA-N 1 0 410.587 3.834 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)c1ccccc1 ZINC000540524379 1008466644 /nfs/dbraw/zinc/46/66/44/1008466644.db2.gz FRYMKSFVHQWGKH-IRLDBZIGSA-N 1 0 424.614 3.803 20 30 HHEDRO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[C@H]1c1ccccc1 ZINC000540553793 1008478862 /nfs/dbraw/zinc/47/88/62/1008478862.db2.gz MEHWJGVGZDMRME-CEMLEFRQSA-N 1 0 422.598 3.583 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)[NH+]2CCCC2)o1 ZINC000519031901 1008506361 /nfs/dbraw/zinc/50/63/61/1008506361.db2.gz JJEKNRWECXKPLC-QFIPXVFZSA-N 1 0 421.545 3.519 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000519051028 1008511679 /nfs/dbraw/zinc/51/16/79/1008511679.db2.gz MDVHPVIDIYVWKA-CTNGQTDRSA-N 1 0 412.578 3.567 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)ccc1Cl ZINC000542968261 1008541582 /nfs/dbraw/zinc/54/15/82/1008541582.db2.gz WYCMOVQGPSYFEB-WVDZOPJMSA-N 1 0 417.962 3.983 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549036341 1008604189 /nfs/dbraw/zinc/60/41/89/1008604189.db2.gz RBIQVPRFXDJDNL-PCCBWWKXSA-N 1 0 414.912 3.691 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000519270567 1008679209 /nfs/dbraw/zinc/67/92/09/1008679209.db2.gz VOZBUCDWOFHYGO-UHFFFAOYSA-N 1 0 401.732 3.638 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CC1 ZINC000519270317 1008679546 /nfs/dbraw/zinc/67/95/46/1008679546.db2.gz HDYKADRKYXXFIM-PMVMPFDFSA-N 1 0 409.574 3.617 20 30 HHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000549165304 1008737066 /nfs/dbraw/zinc/73/70/66/1008737066.db2.gz KGEYBDAOYLEFKP-CVDCTZTESA-N 1 0 422.960 3.685 20 30 HHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000549214521 1008784924 /nfs/dbraw/zinc/78/49/24/1008784924.db2.gz KJYUIWKGIITOMW-IBGZPJMESA-N 1 0 420.561 3.551 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc(Cl)cc1 ZINC000549240708 1008811436 /nfs/dbraw/zinc/81/14/36/1008811436.db2.gz HUHBWPBPMJRDAZ-QGZVFWFLSA-N 1 0 401.898 3.842 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549248748 1008819695 /nfs/dbraw/zinc/81/96/95/1008819695.db2.gz YEYRLUOMMOZFHY-OAQYLSRUSA-N 1 0 408.594 3.788 20 30 HHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000549272688 1008843273 /nfs/dbraw/zinc/84/32/73/1008843273.db2.gz KPTGMONERALCHB-UHFFFAOYSA-N 1 0 413.616 3.933 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549279497 1008849436 /nfs/dbraw/zinc/84/94/36/1008849436.db2.gz KIVJLOQWKYWEEW-ZLNRFVROSA-N 1 0 421.589 3.849 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000549284943 1008856194 /nfs/dbraw/zinc/85/61/94/1008856194.db2.gz BDLFGNJMIUYRJC-UHFFFAOYSA-N 1 0 413.541 3.517 20 30 HHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000549285474 1008857301 /nfs/dbraw/zinc/85/73/01/1008857301.db2.gz IXGDNEPWGPTIKU-JOCHJYFZSA-N 1 0 414.642 3.582 20 30 HHEDRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCCCC1 ZINC000543283886 1008859147 /nfs/dbraw/zinc/85/91/47/1008859147.db2.gz OMIDPIQZSKYWAL-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000549296745 1008871169 /nfs/dbraw/zinc/87/11/69/1008871169.db2.gz CKOWMCYCZCGVIE-UHFFFAOYSA-N 1 0 403.615 3.772 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549302164 1008878132 /nfs/dbraw/zinc/87/81/32/1008878132.db2.gz MGEGJADRIWZEFZ-NRFANRHFSA-N 1 0 402.546 3.875 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Oc2cc(C)ccn2)CC1)C(C)C ZINC000519555686 1008901578 /nfs/dbraw/zinc/90/15/78/1008901578.db2.gz JTBILWOQWFUGBF-NRFANRHFSA-N 1 0 400.567 3.641 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000549334604 1008913132 /nfs/dbraw/zinc/91/31/32/1008913132.db2.gz NZIUOPJSJYJKEL-HXUWFJFHSA-N 1 0 424.932 3.567 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000549379717 1008963141 /nfs/dbraw/zinc/96/31/41/1008963141.db2.gz NUJMPJZMSBNTAJ-HXUWFJFHSA-N 1 0 415.921 3.653 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2=O)cc1 ZINC000519774559 1009000062 /nfs/dbraw/zinc/00/00/62/1009000062.db2.gz NTWPJHCZYMOUFB-NQIIRXRSSA-N 1 0 424.342 3.569 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000543459748 1009043977 /nfs/dbraw/zinc/04/39/77/1009043977.db2.gz WTPURDBDJLMRCW-CQSZACIVSA-N 1 0 407.440 3.660 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549476748 1009074726 /nfs/dbraw/zinc/07/47/26/1009074726.db2.gz HDQKDWHKLZMMEK-VMRPVKRXSA-N 1 0 422.976 3.991 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520004712 1009159196 /nfs/dbraw/zinc/15/91/96/1009159196.db2.gz YJUYWLUVTUSWGE-ZWKOTPCHSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520004710 1009159211 /nfs/dbraw/zinc/15/92/11/1009159211.db2.gz YJUYWLUVTUSWGE-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549647411 1009274561 /nfs/dbraw/zinc/27/45/61/1009274561.db2.gz RCNPTZUNEHXYMH-UHFFFAOYSA-N 1 0 401.942 3.619 20 30 HHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549669653 1009300719 /nfs/dbraw/zinc/30/07/19/1009300719.db2.gz JJKASEZSSDGDBQ-UHFFFAOYSA-N 1 0 409.578 3.883 20 30 HHEDRO Cc1sc(NC(=O)C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c(C#N)c1C ZINC000549798066 1009405474 /nfs/dbraw/zinc/40/54/74/1009405474.db2.gz UONTXPXFQBFBLD-UHFFFAOYSA-N 1 0 401.507 3.696 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543872458 1009442242 /nfs/dbraw/zinc/44/22/42/1009442242.db2.gz SYOCEXZCRSFFIT-QGZVFWFLSA-N 1 0 410.477 3.861 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)n2)c(Cl)c1 ZINC000543887355 1009463868 /nfs/dbraw/zinc/46/38/68/1009463868.db2.gz OUPZYICLIFOWFS-SFHVURJKSA-N 1 0 424.892 3.949 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)n2)c(F)c1 ZINC000543887782 1009464842 /nfs/dbraw/zinc/46/48/42/1009464842.db2.gz HVHCJQZHUXCMQH-LJQANCHMSA-N 1 0 418.476 3.669 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889087 1009467206 /nfs/dbraw/zinc/46/72/06/1009467206.db2.gz AHRHNIJPJNNMHI-CABCVRRESA-N 1 0 400.914 3.639 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889089 1009467402 /nfs/dbraw/zinc/46/74/02/1009467402.db2.gz AHRHNIJPJNNMHI-HUUCEWRRSA-N 1 0 400.914 3.639 20 30 HHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000520355048 1009491587 /nfs/dbraw/zinc/49/15/87/1009491587.db2.gz BPNWYGQVJBUZAJ-QHCPKHFHSA-N 1 0 407.514 3.728 20 30 HHEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000543921508 1009513277 /nfs/dbraw/zinc/51/32/77/1009513277.db2.gz RCSLWLXOSGDGNO-UHFFFAOYSA-N 1 0 404.942 3.511 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000520641380 1009716551 /nfs/dbraw/zinc/71/65/51/1009716551.db2.gz RDZXMIOOZYZUGM-OAHLLOKOSA-N 1 0 408.571 3.534 20 30 HHEDRO N#Cc1cnn2cc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3ccccc3)cnc12 ZINC000550153399 1009736308 /nfs/dbraw/zinc/73/63/08/1009736308.db2.gz GXSJQXMPLCSORJ-UHFFFAOYSA-N 1 0 419.492 3.803 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000520692223 1009760640 /nfs/dbraw/zinc/76/06/40/1009760640.db2.gz QVCDVDGGFHDKSZ-CQSZACIVSA-N 1 0 410.356 3.858 20 30 HHEDRO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188968 1009791653 /nfs/dbraw/zinc/79/16/53/1009791653.db2.gz JVZCYCLDHIWBGW-IRLDBZIGSA-N 1 0 422.598 3.563 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(I)cc2Cl)CC1 ZINC000520745959 1009815851 /nfs/dbraw/zinc/81/58/51/1009815851.db2.gz BGPXIECYWPBYNR-UHFFFAOYSA-N 1 0 419.694 3.717 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)c1C#N ZINC000546930770 1009891301 /nfs/dbraw/zinc/89/13/01/1009891301.db2.gz TVESCNGAKVFMTC-OAQYLSRUSA-N 1 0 400.567 3.951 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccccc2C[NH+]2CCCC2)no1 ZINC000546942217 1009900375 /nfs/dbraw/zinc/90/03/75/1009900375.db2.gz BWIJFWQXTBXTLE-UHFFFAOYSA-N 1 0 403.486 3.707 20 30 HHEDRO N#Cc1cnn(-c2ccc(-c3nc(-c4ccccc4C[NH+]4CCCC4)no3)cc2)c1N ZINC000546946792 1009904456 /nfs/dbraw/zinc/90/44/56/1009904456.db2.gz VPZFAHYWQOJNBK-UHFFFAOYSA-N 1 0 411.469 3.639 20 30 HHEDRO N#Cc1cnn(-c2ccc(-c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)cc2)c1N ZINC000546953039 1009911241 /nfs/dbraw/zinc/91/12/41/1009911241.db2.gz VTPKIUSBOBONNZ-UHFFFAOYSA-N 1 0 411.469 3.639 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000544306600 1009928052 /nfs/dbraw/zinc/92/80/52/1009928052.db2.gz CTYXRUKTVJEKJM-UHFFFAOYSA-N 1 0 422.529 3.542 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000544310185 1009932748 /nfs/dbraw/zinc/93/27/48/1009932748.db2.gz XBHCGTANVOQXNV-PXNSSMCTSA-N 1 0 408.502 3.540 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1C#N ZINC000550462441 1009958475 /nfs/dbraw/zinc/95/84/75/1009958475.db2.gz JWQUHEJGYXTXCO-HSZRJFAPSA-N 1 0 422.573 3.740 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000520940033 1009994758 /nfs/dbraw/zinc/99/47/58/1009994758.db2.gz CFSRNVJZWQQEDO-QGZVFWFLSA-N 1 0 402.564 3.847 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)[NH+](C)C)cc1 ZINC000550746281 1010151027 /nfs/dbraw/zinc/15/10/27/1010151027.db2.gz PXEAYRANDRHUGD-SFHVURJKSA-N 1 0 412.559 3.583 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000544561089 1010189955 /nfs/dbraw/zinc/18/99/55/1010189955.db2.gz BEJXJGWYMBMYDY-SFHVURJKSA-N 1 0 424.520 3.934 20 30 HHEDRO COC(=O)c1cccc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)c1C#N ZINC000547337545 1010258815 /nfs/dbraw/zinc/25/88/15/1010258815.db2.gz RKNDRGRHOXXPED-UHFFFAOYSA-N 1 0 408.498 3.795 20 30 HHEDRO C[C@](O)(C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)C(F)(F)F ZINC000547345001 1010263038 /nfs/dbraw/zinc/26/30/38/1010263038.db2.gz GVXWKGBJJBNGNA-KRWDZBQOSA-N 1 0 403.832 3.566 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cc1OC)[NH2+][C@@H](C)c1ccccc1 ZINC000547416440 1010295042 /nfs/dbraw/zinc/29/50/42/1010295042.db2.gz RDDFNRMMYYFURD-KRWDZBQOSA-N 1 0 422.529 3.531 20 30 HHEDRO COc1cc(C#N)ccc1NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000547417929 1010295909 /nfs/dbraw/zinc/29/59/09/1010295909.db2.gz VHWQXSMBPDKAPN-HXUWFJFHSA-N 1 0 403.404 3.960 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000551179366 1010421492 /nfs/dbraw/zinc/42/14/92/1010421492.db2.gz BVVMEPLOGWFQGX-JOCHJYFZSA-N 1 0 407.514 3.533 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000521508328 1010422954 /nfs/dbraw/zinc/42/29/54/1010422954.db2.gz LDQVWGDZYKUQQX-XZOQPEGZSA-N 1 0 424.520 3.691 20 30 HHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000521530478 1010441198 /nfs/dbraw/zinc/44/11/98/1010441198.db2.gz IERBEHGXPPXLQC-SFHVURJKSA-N 1 0 410.493 3.984 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000547863194 1010456071 /nfs/dbraw/zinc/45/60/71/1010456071.db2.gz QUUAPRZABCQXQT-UHFFFAOYSA-N 1 0 422.529 3.954 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)CC1 ZINC000521579481 1010477374 /nfs/dbraw/zinc/47/73/74/1010477374.db2.gz UQFQHGXXWJYNRQ-UHFFFAOYSA-N 1 0 412.843 3.925 20 30 HHEDRO N#Cc1c(F)cc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000521685570 1010550128 /nfs/dbraw/zinc/55/01/28/1010550128.db2.gz HDWITUXVXLJGNQ-HXUWFJFHSA-N 1 0 423.385 3.907 20 30 HHEDRO COc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000548630070 1010689660 /nfs/dbraw/zinc/68/96/60/1010689660.db2.gz KMRIJWMZHZHFIF-UHFFFAOYSA-N 1 0 419.525 3.636 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000548824197 1010738154 /nfs/dbraw/zinc/73/81/54/1010738154.db2.gz MCFHPSKOCXTAQD-QFIPXVFZSA-N 1 0 417.557 3.559 20 30 HHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCSCc2ccccc2C#N)c1 ZINC000522309590 1010921720 /nfs/dbraw/zinc/92/17/20/1010921720.db2.gz VQDVFESISYKBTA-UHFFFAOYSA-N 1 0 410.587 3.873 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNc3nc(C(F)(F)F)ccc3C#N)CC2)c1 ZINC000522409383 1010989503 /nfs/dbraw/zinc/98/95/03/1010989503.db2.gz ZAQGDRBFCUDKGB-UHFFFAOYSA-N 1 0 403.452 3.905 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2ccc(Br)cc2F)CC1 ZINC000522546531 1011073115 /nfs/dbraw/zinc/07/31/15/1011073115.db2.gz RURBUSZGDWMRKG-UHFFFAOYSA-N 1 0 412.347 3.861 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000522619492 1011117586 /nfs/dbraw/zinc/11/75/86/1011117586.db2.gz PIEVUEGMIJPHRZ-SFHVURJKSA-N 1 0 406.530 3.950 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522758684 1011199463 /nfs/dbraw/zinc/19/94/63/1011199463.db2.gz JGPHLCNCAKDHQB-AEFFLSMTSA-N 1 0 417.497 3.702 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540575902 1011233259 /nfs/dbraw/zinc/23/32/59/1011233259.db2.gz XQAWWKZRZHGEEL-LAUBAEHRSA-N 1 0 405.926 3.607 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1)CC1CC1 ZINC000536130039 1011252735 /nfs/dbraw/zinc/25/27/35/1011252735.db2.gz HVLDGBBXSSICSP-UHFFFAOYSA-N 1 0 409.983 3.734 20 30 HHEDRO Cc1nccn1-c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000540597043 1011253037 /nfs/dbraw/zinc/25/30/37/1011253037.db2.gz JTDWUIJJCUVJQP-UHFFFAOYSA-N 1 0 403.505 3.946 20 30 HHEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000522846213 1011286718 /nfs/dbraw/zinc/28/67/18/1011286718.db2.gz QYAGQTNATRWBMJ-LJQANCHMSA-N 1 0 421.545 3.746 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000540712165 1011362918 /nfs/dbraw/zinc/36/29/18/1011362918.db2.gz JEFINWHDFINLRF-DEOSSOPVSA-N 1 0 424.545 3.540 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(SCc3ccccc3)cc2)c1C#N ZINC000536300685 1011489550 /nfs/dbraw/zinc/48/95/50/1011489550.db2.gz SEYKRWZRAHLSLU-UHFFFAOYSA-N 1 0 405.527 3.978 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000540988951 1011622866 /nfs/dbraw/zinc/62/28/66/1011622866.db2.gz OGQGXFDIAUISCS-LJQANCHMSA-N 1 0 411.468 3.829 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536475396 1011691521 /nfs/dbraw/zinc/69/15/21/1011691521.db2.gz HRFCOLCMEPNYPS-FQEVSTJZSA-N 1 0 403.526 3.840 20 30 HHEDRO COc1ccccc1[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541054443 1011694927 /nfs/dbraw/zinc/69/49/27/1011694927.db2.gz NPGFWVAJNZGBTG-SFHVURJKSA-N 1 0 413.543 3.549 20 30 HHEDRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541084359 1011725387 /nfs/dbraw/zinc/72/53/87/1011725387.db2.gz GWVMQEMYYJPJLA-MSOLQXFVSA-N 1 0 419.525 3.676 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c(Cl)c1 ZINC000541101357 1011748161 /nfs/dbraw/zinc/74/81/61/1011748161.db2.gz OENQVQRHDKVUDT-QFBILLFUSA-N 1 0 424.936 3.878 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)Cc1ccccc1 ZINC000541104489 1011751543 /nfs/dbraw/zinc/75/15/43/1011751543.db2.gz CIGNKRHGLWGIOP-LJQANCHMSA-N 1 0 422.920 3.692 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000523383796 1011860347 /nfs/dbraw/zinc/86/03/47/1011860347.db2.gz AAXVZMUGNHTVNB-UHFFFAOYSA-N 1 0 420.557 3.757 20 30 HHEDRO CCc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000536742007 1011922764 /nfs/dbraw/zinc/92/27/64/1011922764.db2.gz MBWMXTOTAKOWFA-HXUWFJFHSA-N 1 0 404.514 3.547 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2C)[NH+](CC)CC)cc1 ZINC000551799648 1011957664 /nfs/dbraw/zinc/95/76/64/1011957664.db2.gz QWJCVXQDWAPIFC-QFIPXVFZSA-N 1 0 406.530 3.567 20 30 HHEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000536872603 1012113892 /nfs/dbraw/zinc/11/38/92/1012113892.db2.gz WDUBWVVCUWPZAW-OALUTQOASA-N 1 0 403.482 3.524 20 30 HHEDRO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000552099740 1012117739 /nfs/dbraw/zinc/11/77/39/1012117739.db2.gz RLGNWEMWMNZHNK-LLVKDONJSA-N 1 0 417.336 3.695 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc(OC)c1OC ZINC000523598257 1012161399 /nfs/dbraw/zinc/16/13/99/1012161399.db2.gz CRADGFOKZAFBOO-NRFANRHFSA-N 1 0 411.546 3.843 20 30 HHEDRO CCCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1cccc(F)c1 ZINC000541504073 1012282586 /nfs/dbraw/zinc/28/25/86/1012282586.db2.gz OFXMYLWAOSPEKW-UHFFFAOYSA-N 1 0 400.502 3.663 20 30 HHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc(OC)c1OC ZINC000537022950 1012328760 /nfs/dbraw/zinc/32/87/60/1012328760.db2.gz FBTKKAVUEANXRI-SJORKVTESA-N 1 0 411.502 3.698 20 30 HHEDRO N#Cc1cc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cnc1C(F)(F)F ZINC000552371246 1012380458 /nfs/dbraw/zinc/38/04/58/1012380458.db2.gz WKFAIYKKWCCIRJ-OAQYLSRUSA-N 1 0 414.431 3.710 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H](C)C1 ZINC000523784057 1012433210 /nfs/dbraw/zinc/43/32/10/1012433210.db2.gz DBBVCRUILKVDPI-HYBUGGRVSA-N 1 0 420.557 3.740 20 30 HHEDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541636579 1012451409 /nfs/dbraw/zinc/45/14/09/1012451409.db2.gz ADKCIHFBRSUYPJ-KBXCAEBGSA-N 1 0 416.591 3.630 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541690133 1012531803 /nfs/dbraw/zinc/53/18/03/1012531803.db2.gz FREBKFWVYONORI-ZMPRRUGASA-N 1 0 416.443 3.716 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000541694532 1012541663 /nfs/dbraw/zinc/54/16/63/1012541663.db2.gz BDDZYANCJYEFMZ-KKSFZXQISA-N 1 0 418.497 3.711 20 30 HHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2NC1=O ZINC000537154420 1012550479 /nfs/dbraw/zinc/55/04/79/1012550479.db2.gz LRWJQKXOWIKXJS-SGTLLEGYSA-N 1 0 412.877 3.610 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000537154712 1012550905 /nfs/dbraw/zinc/55/09/05/1012550905.db2.gz BPDYJLSOLJXLAZ-HSZRJFAPSA-N 1 0 405.542 3.705 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)C2)c(F)c1 ZINC000552707795 1012719359 /nfs/dbraw/zinc/71/93/59/1012719359.db2.gz RZLFQRHSIIIGLZ-YLJYHZDGSA-N 1 0 412.534 3.538 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]CCCOc3ncc(C(F)(F)F)cc3Cl)n2c1 ZINC000537318998 1012776844 /nfs/dbraw/zinc/77/68/44/1012776844.db2.gz SIIQRLIEDBEFBG-UHFFFAOYSA-N 1 0 409.799 3.832 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)c1 ZINC000524071588 1012834307 /nfs/dbraw/zinc/83/43/07/1012834307.db2.gz ALXHUEHLNJGTPY-IBGZPJMESA-N 1 0 420.513 3.973 20 30 HHEDRO C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000537429766 1012917154 /nfs/dbraw/zinc/91/71/54/1012917154.db2.gz CPYJQVQMMAORDM-KRWDZBQOSA-N 1 0 406.505 3.624 20 30 HHEDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000542029302 1012925518 /nfs/dbraw/zinc/92/55/18/1012925518.db2.gz IKKVSCSTRUWLNM-UHFFFAOYSA-N 1 0 408.893 3.781 20 30 HHEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000542032114 1012929895 /nfs/dbraw/zinc/92/98/95/1012929895.db2.gz IRHGBGFCIDJGJQ-UHFFFAOYSA-N 1 0 412.513 3.859 20 30 HHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542035716 1012934841 /nfs/dbraw/zinc/93/48/41/1012934841.db2.gz PDIDTTMLWICKIC-GASCZTMLSA-N 1 0 400.914 3.782 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000552998198 1012973080 /nfs/dbraw/zinc/97/30/80/1012973080.db2.gz WWWBOOWMSKPXJN-GASCZTMLSA-N 1 0 417.479 3.519 20 30 HHEDRO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1CCC#N ZINC000537515596 1013029777 /nfs/dbraw/zinc/02/97/77/1013029777.db2.gz POHBVARBPPTLGV-RTWAWAEBSA-N 1 0 406.534 3.624 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2C#N)[n+]2ccc(C)cc2)c1 ZINC000729670159 1071785598 /nfs/dbraw/zinc/78/55/98/1071785598.db2.gz NFEBLZBRKNHROV-UHFFFAOYSA-O 1 0 420.470 3.585 20 30 HHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc2c(c1)CCCC2 ZINC000729670354 1071785030 /nfs/dbraw/zinc/78/50/30/1071785030.db2.gz PKFWWDYLVHOBIJ-CQSZACIVSA-O 1 0 415.535 3.559 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@@H](C)c2ccccc2)[n+]2ccc(C)cc2)c1 ZINC000729669560 1071785123 /nfs/dbraw/zinc/78/51/23/1071785123.db2.gz HLUQVCDENFETSL-INIZCTEOSA-O 1 0 423.514 3.952 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cc1 ZINC000904622582 1071816834 /nfs/dbraw/zinc/81/68/34/1071816834.db2.gz JPRVTPIKCZCVKK-QGZVFWFLSA-N 1 0 421.888 3.844 20 30 HHEDRO C=CCN1CC[C@@]2(C[N@H+]([C@@H]3Cc4ccc(OC)cc4C3)C[C@@H]2c2ccccc2)C1=O ZINC001168269430 1071879230 /nfs/dbraw/zinc/87/92/30/1071879230.db2.gz UUHCPBNFAWTLKJ-NOOIUNMQSA-N 1 0 402.538 3.667 20 30 HHEDRO COc1cccc(-c2n[nH]cc2C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000614993618 1072021495 /nfs/dbraw/zinc/02/14/95/1072021495.db2.gz CJEDHYWLSNYBAQ-UHFFFAOYSA-N 1 0 403.486 3.832 20 30 HHEDRO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@]3(C1)COCCN(c1cccc(C#N)c1)C3)C2 ZINC001168272635 1072076102 /nfs/dbraw/zinc/07/61/02/1072076102.db2.gz ILXOOHFUFKIOBH-AHWVRZQESA-N 1 0 417.553 3.653 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2noc(C(C)C)n2)CC1)C(C)C ZINC000487836337 1072098925 /nfs/dbraw/zinc/09/89/25/1072098925.db2.gz MODYYKSLGPHKSX-IBGZPJMESA-N 1 0 403.571 3.781 20 30 HHEDRO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)ccc1C#N ZINC000488199488 1072118367 /nfs/dbraw/zinc/11/83/67/1072118367.db2.gz WYECYJPNSWLFAV-UHFFFAOYSA-N 1 0 413.319 3.875 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000729809517 1072125312 /nfs/dbraw/zinc/12/53/12/1072125312.db2.gz LFOJLOHYPGCZIS-DENIHFKCSA-N 1 0 424.928 3.842 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000729809520 1072125332 /nfs/dbraw/zinc/12/53/32/1072125332.db2.gz LFOJLOHYPGCZIS-SIKLNZKXSA-N 1 0 424.928 3.842 20 30 HHEDRO C[NH+](C)CCOc1ccc(-c2noc([C@@H]3CCCN3c3ccc(C#N)cc3)n2)cc1 ZINC000615130929 1072180027 /nfs/dbraw/zinc/18/00/27/1072180027.db2.gz DHCGBDJOEKUGFQ-NRFANRHFSA-N 1 0 403.486 3.890 20 30 HHEDRO O=[N+]([O-])c1ccc(-c2nc(CO[NH+]=Cc3ccc(N4CCOCC4)cc3)co2)cc1 ZINC000760331824 1072258678 /nfs/dbraw/zinc/25/86/78/1072258678.db2.gz USJRYNFWKRLCKG-UHFFFAOYSA-N 1 0 408.414 3.637 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000760371941 1072285921 /nfs/dbraw/zinc/28/59/21/1072285921.db2.gz NLTYUAZWIGUJQW-PMACEKPBSA-N 1 0 405.542 3.926 20 30 HHEDRO C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806002 1072429372 /nfs/dbraw/zinc/42/93/72/1072429372.db2.gz OYRYDXKJVZXNLJ-YLJYHZDGSA-N 1 0 412.553 3.683 20 30 HHEDRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168296167 1072450789 /nfs/dbraw/zinc/45/07/89/1072450789.db2.gz UKANXUNRNGIXCO-YADARESESA-N 1 0 419.573 3.823 20 30 HHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4CCN([C@@H]5CC[NH2+]C5)C4)n3)cc2)cc1 ZINC001212112106 1072492769 /nfs/dbraw/zinc/49/27/69/1072492769.db2.gz CHIYZWUJWQBZSD-RTBURBONSA-N 1 0 401.470 3.552 20 30 HHEDRO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001691597041 1072513747 /nfs/dbraw/zinc/51/37/47/1072513747.db2.gz UVEAYJYJKNAWIB-PKOBYXMFSA-N 1 0 400.596 3.789 20 30 HHEDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1 ZINC000588789013 1073211135 /nfs/dbraw/zinc/21/11/35/1073211135.db2.gz MDARQNCDYOIQLM-UHFFFAOYSA-N 1 0 403.486 3.697 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(C)C)C1 ZINC000555238346 1073271137 /nfs/dbraw/zinc/27/11/37/1073271137.db2.gz NGCPOUFRDFPGNE-JOCHJYFZSA-N 1 0 422.621 3.701 20 30 HHEDRO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000555242313 1073285919 /nfs/dbraw/zinc/28/59/19/1073285919.db2.gz IROCOLOUQNACKL-UHFFFAOYSA-N 1 0 401.599 3.668 20 30 HHEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000555247224 1073289585 /nfs/dbraw/zinc/28/95/85/1073289585.db2.gz HSEZMZQHZHYBDL-UHFFFAOYSA-N 1 0 401.599 3.668 20 30 HHEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000555262570 1073295446 /nfs/dbraw/zinc/29/54/46/1073295446.db2.gz QYIWZEXMWNFMJU-RTWAWAEBSA-N 1 0 419.614 3.527 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000555273373 1073312860 /nfs/dbraw/zinc/31/28/60/1073312860.db2.gz SAQIMMVCYORWKZ-UHFFFAOYSA-N 1 0 409.578 3.632 20 30 HHEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000555290125 1073322231 /nfs/dbraw/zinc/32/22/31/1073322231.db2.gz WRLHNHXSFSTONF-UHFFFAOYSA-N 1 0 413.566 3.670 20 30 HHEDRO N#Cc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2Cc2cccs2)cc1 ZINC000555431821 1073461759 /nfs/dbraw/zinc/46/17/59/1073461759.db2.gz IMBNZSHIYNUQKZ-FQEVSTJZSA-N 1 0 418.570 3.991 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590232048 1073666380 /nfs/dbraw/zinc/66/63/80/1073666380.db2.gz OOUKOGSZKDRCOF-KRWDZBQOSA-N 1 0 424.570 3.589 20 30 HHEDRO N#Cc1ccc(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000590357486 1073761756 /nfs/dbraw/zinc/76/17/56/1073761756.db2.gz RRUHMYPCAMRKNS-UHFFFAOYSA-N 1 0 415.896 3.947 20 30 HHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000555738834 1073776524 /nfs/dbraw/zinc/77/65/24/1073776524.db2.gz NRIQJRRKCIQVNL-UHFFFAOYSA-N 1 0 403.408 3.730 20 30 HHEDRO Cn1cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000481613184 1073823671 /nfs/dbraw/zinc/82/36/71/1073823671.db2.gz OGOZWWHCWIGBGG-UHFFFAOYSA-N 1 0 404.489 3.667 20 30 HHEDRO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000590532191 1073909622 /nfs/dbraw/zinc/90/96/22/1073909622.db2.gz PVCAYBPPDCHHQJ-FGZHOGPDSA-N 1 0 408.571 3.668 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000555988633 1074020240 /nfs/dbraw/zinc/02/02/40/1074020240.db2.gz HQQAXINBUMJIML-UHFFFAOYSA-N 1 0 418.607 3.730 20 30 HHEDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000760809862 1074150027 /nfs/dbraw/zinc/15/00/27/1074150027.db2.gz AMHFHATXGBJJMJ-UHFFFAOYSA-N 1 0 401.514 3.798 20 30 HHEDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000591375486 1074273040 /nfs/dbraw/zinc/27/30/40/1074273040.db2.gz BPXCBUJDGJOSKT-UHFFFAOYSA-N 1 0 404.407 3.981 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000591415670 1074280790 /nfs/dbraw/zinc/28/07/90/1074280790.db2.gz FKNCKWBNHQFQKV-AHWVRZQESA-N 1 0 419.569 3.521 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000573342618 1074351125 /nfs/dbraw/zinc/35/11/25/1074351125.db2.gz WHZRAIDBYYERCK-SRXHXZOOSA-N 1 0 411.525 3.981 20 30 HHEDRO CC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000760903788 1074618919 /nfs/dbraw/zinc/61/89/19/1074618919.db2.gz MXDSIIIHEXDIOT-JOCHJYFZSA-N 1 0 402.539 3.742 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1 ZINC000592075706 1074687778 /nfs/dbraw/zinc/68/77/78/1074687778.db2.gz ZMBUAVUBZLCJPE-UHFFFAOYSA-N 1 0 410.415 3.801 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000592358857 1074735817 /nfs/dbraw/zinc/73/58/17/1074735817.db2.gz NKIWGXXCXQWRHU-UHFFFAOYSA-N 1 0 407.514 3.883 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000592489829 1074769226 /nfs/dbraw/zinc/76/92/26/1074769226.db2.gz BSEXDKMMLKCBQD-JOCHJYFZSA-N 1 0 421.520 3.866 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2Br)CC1 ZINC000592526130 1074781218 /nfs/dbraw/zinc/78/12/18/1074781218.db2.gz PQDPLKHHHHOULF-UHFFFAOYSA-N 1 0 417.145 3.984 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)CC1 ZINC000592526156 1074781279 /nfs/dbraw/zinc/78/12/79/1074781279.db2.gz XFTHJZGDTGDTFI-UHFFFAOYSA-N 1 0 409.477 3.621 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)[NH+]1CCCCC1 ZINC000574804837 1075380770 /nfs/dbraw/zinc/38/07/70/1075380770.db2.gz WFFIYXYKRVCYCJ-NRFANRHFSA-N 1 0 422.529 3.602 20 30 HHEDRO COCC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000574994078 1075439523 /nfs/dbraw/zinc/43/95/23/1075439523.db2.gz NEPQEYSJOSDZMD-IBGZPJMESA-N 1 0 406.313 3.849 20 30 HHEDRO C=CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596103558 1075534628 /nfs/dbraw/zinc/53/46/28/1075534628.db2.gz CXAPVCIEFKDOGX-LJQANCHMSA-N 1 0 416.529 3.648 20 30 HHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625249 719067251 /nfs/dbraw/zinc/06/72/51/719067251.db2.gz NBRKZSAAPFYFMV-WBVHZDCISA-N 1 0 417.966 3.761 20 30 HHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628410 719069004 /nfs/dbraw/zinc/06/90/04/719069004.db2.gz RPWRDASOSHNTJU-FXAWDEMLSA-N 1 0 424.932 3.884 20 30 HHEDRO N#Cc1c2c(cnc1N1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)CCCC2 ZINC001164706812 719910081 /nfs/dbraw/zinc/91/00/81/719910081.db2.gz KPAWQIJRUGRENX-UHFFFAOYSA-N 1 0 408.571 3.765 20 30 HHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1Cl)CC2 ZINC001164711566 720097427 /nfs/dbraw/zinc/09/74/27/720097427.db2.gz QXDSTSLDOVFUPI-IBGZPJMESA-N 1 0 411.937 3.509 20 30 HHEDRO Cc1ccc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c(C#N)c(Cl)c2c1 ZINC001164740902 720599471 /nfs/dbraw/zinc/59/94/71/720599471.db2.gz JUFCDESLJFXMCP-UHFFFAOYSA-N 1 0 420.948 3.923 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@@H]21 ZINC001164839235 720601866 /nfs/dbraw/zinc/60/18/66/720601866.db2.gz MQLRDCUHXBUPOU-QTEQDKRBSA-N 1 0 400.530 3.681 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@@H]21 ZINC001164839234 720602813 /nfs/dbraw/zinc/60/28/13/720602813.db2.gz MQLRDCUHXBUPOU-JTAQYXEDSA-N 1 0 400.530 3.681 20 30 HHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879431 721149330 /nfs/dbraw/zinc/14/93/30/721149330.db2.gz SDQZIVFZKZILOX-WOJBJXKFSA-N 1 0 417.538 3.556 20 30 HHEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5cc(F)ccc5c(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164768009 721246035 /nfs/dbraw/zinc/24/60/35/721246035.db2.gz XKTJDAWZTIDLAW-HOTGVXAUSA-N 1 0 424.911 3.591 20 30 HHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912407 721536823 /nfs/dbraw/zinc/53/68/23/721536823.db2.gz ZPKHVUKKDWNFAK-WBVHZDCISA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cnc2cc[nH]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c1-2 ZINC001164904298 721719608 /nfs/dbraw/zinc/71/96/08/721719608.db2.gz BLSSXJIMVZEXHB-NRFANRHFSA-N 1 0 408.456 3.567 20 30 HHEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934314 721890795 /nfs/dbraw/zinc/89/07/95/721890795.db2.gz OSAVIURLXCTIRQ-SJORKVTESA-N 1 0 404.345 3.628 20 30 HHEDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl ZINC001165045250 721939439 /nfs/dbraw/zinc/93/94/39/721939439.db2.gz XDAUDZWKYNLXEG-UHFFFAOYSA-N 1 0 405.880 3.992 20 30 HHEDRO CCOC(=O)c1cc(C)nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164995246 722196594 /nfs/dbraw/zinc/19/65/94/722196594.db2.gz SVKDEHLICMIMDW-DEOSSOPVSA-N 1 0 422.504 3.822 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000301642482 971012328 /nfs/dbraw/zinc/01/23/28/971012328.db2.gz ZISCJFFVNAULHA-KRWDZBQOSA-N 1 0 416.447 3.886 20 30 HHEDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n2c3ccccc3nc2c1C#N ZINC000301716960 971040380 /nfs/dbraw/zinc/04/03/80/971040380.db2.gz XYTPCLZSBQFMBY-VXKWHMMOSA-N 1 0 403.530 3.847 20 30 HHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000553102406 1013067479 /nfs/dbraw/zinc/06/74/79/1013067479.db2.gz OYNDFGRNHAVWCE-GMYLUUGSSA-N 1 0 415.584 3.915 20 30 HHEDRO N#Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)nc2ccc([N+](=O)[O-])cc12 ZINC000302612587 971264049 /nfs/dbraw/zinc/26/40/49/971264049.db2.gz BSYOWCXNNGWYOX-HXUWFJFHSA-N 1 0 417.469 3.583 20 30 HHEDRO C=CCc1cc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc(OC)c1OC ZINC000302850998 971353428 /nfs/dbraw/zinc/35/34/28/971353428.db2.gz OASOSDHIHKFKEB-UHFFFAOYSA-N 1 0 409.530 3.827 20 30 HHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1OC ZINC000302899169 971380756 /nfs/dbraw/zinc/38/07/56/971380756.db2.gz UEAQWOWKIQJIOE-HXUWFJFHSA-N 1 0 422.525 3.978 20 30 HHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000542145074 1013079618 /nfs/dbraw/zinc/07/96/18/1013079618.db2.gz PIJMDMHBRUALDG-AFJQURTJSA-N 1 0 408.502 3.659 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)CC1 ZINC000303263700 971586989 /nfs/dbraw/zinc/58/69/89/971586989.db2.gz IFHIPIZMQBDCJD-UHFFFAOYSA-N 1 0 416.525 3.928 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)CC1 ZINC000303265370 971587747 /nfs/dbraw/zinc/58/77/47/971587747.db2.gz INZRNVNHJIDWDZ-UHFFFAOYSA-N 1 0 421.467 3.790 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2oc3ccccc3c2CSc2ncccn2)CC1 ZINC000303271524 971590558 /nfs/dbraw/zinc/59/05/58/971590558.db2.gz JTXMKGMVJWKBTJ-UHFFFAOYSA-N 1 0 408.527 3.895 20 30 HHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)cc1 ZINC000537562649 1013096111 /nfs/dbraw/zinc/09/61/11/1013096111.db2.gz CRUIDPXTJAKGAL-IBGZPJMESA-N 1 0 411.469 3.773 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CC1 ZINC000303342656 971644224 /nfs/dbraw/zinc/64/42/24/971644224.db2.gz ZFHZRIJESHJCHT-UHFFFAOYSA-N 1 0 416.525 3.928 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)CC1 ZINC000303348302 971648031 /nfs/dbraw/zinc/64/80/31/971648031.db2.gz FISZVBIJXHIAQD-DEOSSOPVSA-N 1 0 415.537 3.948 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000303418538 971696173 /nfs/dbraw/zinc/69/61/73/971696173.db2.gz XOWKYUBSEXTWJB-GOSISDBHSA-N 1 0 400.592 3.685 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2)C1 ZINC000524298123 1013109040 /nfs/dbraw/zinc/10/90/40/1013109040.db2.gz RSUHBNHUPPSAOE-QGZVFWFLSA-N 1 0 414.513 3.810 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)NCCCCSc2ccccc2Br)CC1 ZINC000303581100 971873217 /nfs/dbraw/zinc/87/32/17/971873217.db2.gz DQSSIZYJJAWIQQ-UHFFFAOYSA-N 1 0 409.393 3.783 20 30 HHEDRO Cc1cccnc1[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000303633152 971913174 /nfs/dbraw/zinc/91/31/74/971913174.db2.gz FWIBDVWLWJIWKT-JOCHJYFZSA-N 1 0 405.546 3.876 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000303753803 972006094 /nfs/dbraw/zinc/00/60/94/972006094.db2.gz GAEXDKUYINNZOS-NRFANRHFSA-N 1 0 404.558 3.756 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303761881 972011153 /nfs/dbraw/zinc/01/11/53/972011153.db2.gz ORUDMORACBHSDU-LAUBAEHRSA-N 1 0 420.557 3.720 20 30 HHEDRO N#CC1(NC(=O)c2cnn(-c3ccccc3Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000537596875 1013137817 /nfs/dbraw/zinc/13/78/17/1013137817.db2.gz HGCHPZWSEKHZNV-UHFFFAOYSA-N 1 0 419.916 3.814 20 30 HHEDRO CC1(C(=O)NCC2CC[NH+](C3CC3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553205359 1013166444 /nfs/dbraw/zinc/16/64/44/1013166444.db2.gz DNOATVITJMCKPB-UHFFFAOYSA-N 1 0 414.981 3.809 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000303865627 972407943 /nfs/dbraw/zinc/40/79/43/972407943.db2.gz BRAKLWDEPMIIMQ-ROUUACIJSA-N 1 0 408.546 3.986 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(Cn3ccccc3=O)cc2)c1 ZINC000303868069 972409662 /nfs/dbraw/zinc/40/96/62/972409662.db2.gz DIMJOJWIQQHLAH-UHFFFAOYSA-N 1 0 420.513 3.621 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)cc1 ZINC000303874799 972416097 /nfs/dbraw/zinc/41/60/97/972416097.db2.gz DBWBJIOMYJOAOL-IFXJQAMLSA-N 1 0 420.916 3.676 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303882036 972422564 /nfs/dbraw/zinc/42/25/64/972422564.db2.gz RESRDSDRHUYRAL-WOJBJXKFSA-N 1 0 409.534 3.598 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(COc3ccccc3)c2)cc1OC ZINC000303901691 972470632 /nfs/dbraw/zinc/47/06/32/972470632.db2.gz XOIGBPFGMNHNFN-UHFFFAOYSA-N 1 0 405.498 3.887 20 30 HHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000303904576 972474828 /nfs/dbraw/zinc/47/48/28/972474828.db2.gz YVNWEJQZVHHMJK-OAQYLSRUSA-N 1 0 408.546 3.647 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(C(=O)N[C@H](C)CC)c2)c1 ZINC000303905064 972475622 /nfs/dbraw/zinc/47/56/22/972475622.db2.gz VIMYGECFCOQSOW-MRXNPFEDSA-N 1 0 412.534 3.939 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000303906453 972476598 /nfs/dbraw/zinc/47/65/98/972476598.db2.gz WBRHZZXJSHGFTP-HXUWFJFHSA-N 1 0 412.534 3.666 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000303907219 972478281 /nfs/dbraw/zinc/47/82/81/972478281.db2.gz WSLXMYPOLSTZIG-OAHLLOKOSA-N 1 0 421.372 3.991 20 30 HHEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1nc2c(cc1C#N)CCCC2(C)C ZINC000553268940 1013232913 /nfs/dbraw/zinc/23/29/13/1013232913.db2.gz GQLUQONQRKVZTQ-GHTZIAJQSA-N 1 0 406.578 3.820 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)CC1 ZINC000553288798 1013246016 /nfs/dbraw/zinc/24/60/16/1013246016.db2.gz PIFXQBSFDGRLQE-UHFFFAOYSA-N 1 0 408.571 3.996 20 30 HHEDRO N#Cc1ccc(CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C2CC2)cc1 ZINC000542299149 1013257175 /nfs/dbraw/zinc/25/71/75/1013257175.db2.gz VJFLZNXNYZKWEE-UHFFFAOYSA-N 1 0 402.542 3.652 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2cccc(CO)c2)c(C)n1C ZINC000011167278 962021884 /nfs/dbraw/zinc/02/18/84/962021884.db2.gz DJOXUEADQIDPKP-UHFFFAOYSA-O 1 0 408.547 3.781 20 30 HHEDRO COc1ccc(OCC[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000011432555 962086453 /nfs/dbraw/zinc/08/64/53/962086453.db2.gz PMVPPBXBXGDZHD-UHFFFAOYSA-N 1 0 413.543 3.847 20 30 HHEDRO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000537766083 1013329320 /nfs/dbraw/zinc/32/93/20/1013329320.db2.gz AVRLKZKWLSFUAR-YOEHRIQHSA-N 1 0 402.539 3.971 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000542419913 1013371711 /nfs/dbraw/zinc/37/17/11/1013371711.db2.gz PYGOMJOCFSPIKX-SFHVURJKSA-N 1 0 422.529 3.931 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000022819149 963722799 /nfs/dbraw/zinc/72/27/99/963722799.db2.gz XAWISRLQTWCWCZ-UHFFFAOYSA-N 1 0 413.521 3.861 20 30 HHEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000542523961 1013466413 /nfs/dbraw/zinc/46/64/13/1013466413.db2.gz DDPSSLDMKJECEH-YADHBBJMSA-N 1 0 424.614 3.622 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1c(C)nn(C)c1C ZINC000542526642 1013468815 /nfs/dbraw/zinc/46/88/15/1013468815.db2.gz CVGQIXNNUAILFS-LJQANCHMSA-N 1 0 401.942 3.986 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1c(C)nn(C)c1C ZINC000542526626 1013468858 /nfs/dbraw/zinc/46/88/58/1013468858.db2.gz CVGQIXNNUAILFS-IBGZPJMESA-N 1 0 401.942 3.986 20 30 HHEDRO CC(C)Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C(F)F)n1 ZINC000537911349 1013496907 /nfs/dbraw/zinc/49/69/07/1013496907.db2.gz LLLHGFGYAIVIRU-UHFFFAOYSA-N 1 0 418.492 3.944 20 30 HHEDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051058925 964455207 /nfs/dbraw/zinc/45/52/07/964455207.db2.gz AHURILVKMOIEQK-SFTDATJTSA-N 1 0 412.578 3.567 20 30 HHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000553613768 1013498530 /nfs/dbraw/zinc/49/85/30/1013498530.db2.gz INBXUAQTUCDSEW-UHFFFAOYSA-N 1 0 407.436 3.813 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1 ZINC000026448853 964566499 /nfs/dbraw/zinc/56/64/99/964566499.db2.gz NDRROJVDYARORM-UHFFFAOYSA-N 1 0 401.532 3.959 20 30 HHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000026763787 964669562 /nfs/dbraw/zinc/66/95/62/964669562.db2.gz ARMHTFPHFPPKRZ-QFIPXVFZSA-N 1 0 404.558 3.756 20 30 HHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000026763784 964669754 /nfs/dbraw/zinc/66/97/54/964669754.db2.gz ARMHTFPHFPPKRZ-JOCHJYFZSA-N 1 0 404.558 3.756 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c1C#N ZINC000027119817 964789807 /nfs/dbraw/zinc/78/98/07/964789807.db2.gz YNWQKLXICWEYKT-UHFFFAOYSA-N 1 0 411.594 3.981 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000052485681 964916102 /nfs/dbraw/zinc/91/61/02/964916102.db2.gz OFQUFGKQXZIXQV-RBUKOAKNSA-N 1 0 419.639 3.764 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(-c2cccs2)no1 ZINC000052485701 964916473 /nfs/dbraw/zinc/91/64/73/964916473.db2.gz RSABOGHHQMTLEF-UHFFFAOYSA-N 1 0 416.576 3.896 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000052636215 964940604 /nfs/dbraw/zinc/94/06/04/964940604.db2.gz GHHKPVOQHKFCDL-JOCHJYFZSA-N 1 0 408.546 3.961 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000052801298 964988993 /nfs/dbraw/zinc/98/89/93/964988993.db2.gz FSJSDEBFIGRZLZ-UHFFFAOYSA-N 1 0 407.905 3.624 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000028885831 965207011 /nfs/dbraw/zinc/20/70/11/965207011.db2.gz YLVXQPYXJZRWBJ-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028891575 965208046 /nfs/dbraw/zinc/20/80/46/965208046.db2.gz VPNKPXMUGVQTSH-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000537979739 1013555803 /nfs/dbraw/zinc/55/58/03/1013555803.db2.gz TWSAEVDXNATOSE-DZIBYMRMSA-N 1 0 413.543 3.507 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2F)CC1 ZINC000553732858 1013577358 /nfs/dbraw/zinc/57/73/58/1013577358.db2.gz FDJZNODIMRGKEQ-UHFFFAOYSA-N 1 0 423.532 3.511 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000058967152 965975323 /nfs/dbraw/zinc/97/53/23/965975323.db2.gz QZXHJLJCIVWKQQ-UHFFFAOYSA-N 1 0 417.553 3.990 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000060607616 966227369 /nfs/dbraw/zinc/22/73/69/966227369.db2.gz GREYZTBEYITVIE-ROUUACIJSA-N 1 0 418.541 3.600 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000542723623 1013635370 /nfs/dbraw/zinc/63/53/70/1013635370.db2.gz YPQOTTQDTKEKKL-HROJSSOGSA-N 1 0 413.525 3.630 20 30 HHEDRO N#Cc1cc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)ccc1Cl ZINC000060682474 966255998 /nfs/dbraw/zinc/25/59/98/966255998.db2.gz AKEWXEVGZKEMCS-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000056596803 966388248 /nfs/dbraw/zinc/38/82/48/966388248.db2.gz JMPUYFMAMPUONJ-QZTJIDSGSA-N 1 0 408.502 3.971 20 30 HHEDRO C[NH+](C)CCn1cc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)cn1 ZINC000061635380 966517569 /nfs/dbraw/zinc/51/75/69/966517569.db2.gz WYRRGSYZLPEGTI-UHFFFAOYSA-N 1 0 405.527 3.861 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400177 966557107 /nfs/dbraw/zinc/55/71/07/966557107.db2.gz HAIVQVVKFITILR-LJQANCHMSA-N 1 0 413.905 3.552 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000062046418 966606703 /nfs/dbraw/zinc/60/67/03/966606703.db2.gz HQUKHSPITGNMLA-MRXNPFEDSA-N 1 0 424.932 3.841 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C)c1)C(C)C ZINC000062205191 966623386 /nfs/dbraw/zinc/62/33/86/966623386.db2.gz KWBQOHWULIZOJM-GOSISDBHSA-N 1 0 422.367 3.511 20 30 HHEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042684150 966828423 /nfs/dbraw/zinc/82/84/23/966828423.db2.gz STDJQVQEAXLQMG-IBGZPJMESA-N 1 0 413.525 3.641 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000063402414 966844695 /nfs/dbraw/zinc/84/46/95/966844695.db2.gz SHFIUSXRGZGCMM-UHFFFAOYSA-N 1 0 418.563 3.654 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc(OC)c1OC ZINC000538124911 1013686909 /nfs/dbraw/zinc/68/69/09/1013686909.db2.gz DYTHDRFPJQTLRI-LBPRGKRZSA-N 1 0 403.866 3.527 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nc(-c4ccccn4)cs3)CC2)cc1 ZINC000542842380 1013702699 /nfs/dbraw/zinc/70/26/99/1013702699.db2.gz IBROCZWNKBYRAF-UHFFFAOYSA-N 1 0 403.555 3.873 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cn4cccn4)c3)CC2)cc1 ZINC000044247910 967175245 /nfs/dbraw/zinc/17/52/45/967175245.db2.gz QWCLNMAIFOYWKQ-UHFFFAOYSA-N 1 0 414.513 3.543 20 30 HHEDRO Cc1ccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cs2)o1 ZINC000044566500 967241142 /nfs/dbraw/zinc/24/11/42/967241142.db2.gz IFPYJECUHHJOET-UHFFFAOYSA-N 1 0 408.527 3.716 20 30 HHEDRO COc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000045103206 967355002 /nfs/dbraw/zinc/35/50/02/967355002.db2.gz REHKSCPEXBKKEB-KRWDZBQOSA-N 1 0 410.493 3.684 20 30 HHEDRO C[N@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000065444738 967468768 /nfs/dbraw/zinc/46/87/68/967468768.db2.gz AGRNBSSWMLRNLI-UHFFFAOYSA-N 1 0 406.408 3.753 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccccc1 ZINC000538199064 1013754946 /nfs/dbraw/zinc/75/49/46/1013754946.db2.gz MSBFURBBHIFWIH-IEBWSBKVSA-N 1 0 406.530 3.707 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000047011488 968031215 /nfs/dbraw/zinc/03/12/15/968031215.db2.gz KNENESRQKOYWRB-UHFFFAOYSA-N 1 0 405.420 3.703 20 30 HHEDRO C[C@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542943002 1013775468 /nfs/dbraw/zinc/77/54/68/1013775468.db2.gz ZBTDGEHXHMXUHF-KRWDZBQOSA-N 1 0 421.522 3.602 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(OC)cc3OC)CC2)cc1 ZINC000047609811 968257751 /nfs/dbraw/zinc/25/77/51/968257751.db2.gz ZSGLAJPTNUYKTB-UHFFFAOYSA-N 1 0 410.514 3.663 20 30 HHEDRO COc1cccc([C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000047937085 968371993 /nfs/dbraw/zinc/37/19/93/968371993.db2.gz AIFBAVPSHFHUNG-FQEVSTJZSA-N 1 0 419.447 3.668 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000048094531 968419818 /nfs/dbraw/zinc/41/98/18/968419818.db2.gz IOBZRZBQSVRUSL-JOCHJYFZSA-N 1 0 409.555 3.753 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000065930240 968720506 /nfs/dbraw/zinc/72/05/06/968720506.db2.gz SRRBCHUGLCKENR-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO CCOc1cccc([C@H]2C[C@@H]2NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000538304549 1013838367 /nfs/dbraw/zinc/83/83/67/1013838367.db2.gz IGMKGDXIFBTWSJ-RPWUZVMVSA-N 1 0 418.541 3.730 20 30 HHEDRO NC(=NOCC(=O)Nc1cccc(Cl)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000109213836 969480214 /nfs/dbraw/zinc/48/02/14/969480214.db2.gz KWJPITZIZWEKJA-UHFFFAOYSA-N 1 0 400.910 3.602 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000110941718 969744365 /nfs/dbraw/zinc/74/43/65/969744365.db2.gz ODIXEMHPRLNRQK-UHFFFAOYSA-N 1 0 418.541 3.626 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1ccccc1C#N ZINC000111041235 969765144 /nfs/dbraw/zinc/76/51/44/969765144.db2.gz SIRYDFREKBHCKS-UHFFFAOYSA-N 1 0 405.477 3.981 20 30 HHEDRO CC[NH+](CC)[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000111072458 969772509 /nfs/dbraw/zinc/77/25/09/969772509.db2.gz PCDQXWRGEKXPPR-DEOSSOPVSA-N 1 0 404.558 3.676 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000116277868 969884494 /nfs/dbraw/zinc/88/44/94/969884494.db2.gz VABGNNRHJCAJNO-NRFANRHFSA-N 1 0 400.563 3.773 20 30 HHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000116676009 969913782 /nfs/dbraw/zinc/91/37/82/969913782.db2.gz XWKRSZVMVUHNRC-HOCLYGCPSA-N 1 0 406.552 3.716 20 30 HHEDRO N#CCCN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccco1 ZINC000216465629 970074633 /nfs/dbraw/zinc/07/46/33/970074633.db2.gz BOAUKQQTAOMATK-NRFANRHFSA-N 1 0 414.937 3.602 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000229496364 970129930 /nfs/dbraw/zinc/12/99/30/970129930.db2.gz JKTYKPSBUNSQCF-IFMALSPDSA-N 1 0 418.541 3.665 20 30 HHEDRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2cnc3ccc(C#N)cn23)CCOCC1 ZINC000237271444 970252248 /nfs/dbraw/zinc/25/22/48/970252248.db2.gz UQWUHBMXSBESNZ-UHFFFAOYSA-N 1 0 410.905 3.706 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)ccc1OC ZINC000237349256 970267857 /nfs/dbraw/zinc/26/78/57/970267857.db2.gz HALGDJFVEAJMNG-UHFFFAOYSA-N 1 0 418.603 3.874 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)Cc3cccc(F)c3)c2)c1 ZINC000237743030 970352143 /nfs/dbraw/zinc/35/21/43/970352143.db2.gz GJBZWKJYDIAHOX-UHFFFAOYSA-N 1 0 417.484 3.725 20 30 HHEDRO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554634572 1013995488 /nfs/dbraw/zinc/99/54/88/1013995488.db2.gz VARFLPOPXNYUQV-UHFFFAOYSA-N 1 0 413.566 3.705 20 30 HHEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCCc2ccccc2)c1 ZINC000185576447 970493493 /nfs/dbraw/zinc/49/34/93/970493493.db2.gz HGAUKZUUQLVNOR-UHFFFAOYSA-O 1 0 400.527 3.925 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NCc2cccs2)cc1 ZINC000186961052 970493604 /nfs/dbraw/zinc/49/36/04/970493604.db2.gz ILSKXSXEFRCRHB-UHFFFAOYSA-O 1 0 400.549 3.931 20 30 HHEDRO CC(C)[C@@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000248170311 970517544 /nfs/dbraw/zinc/51/75/44/970517544.db2.gz RLXPIZNXUFSHBA-RUZDIDTESA-N 1 0 404.558 3.579 20 30 HHEDRO CC(C)[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000248251587 970523772 /nfs/dbraw/zinc/52/37/72/970523772.db2.gz JEGSBTRABZKNCN-HBUWYVDXSA-N 1 0 413.440 3.572 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000195601124 970542852 /nfs/dbraw/zinc/54/28/52/970542852.db2.gz TXWCWDMTCUCRBX-IBGZPJMESA-N 1 0 407.411 3.798 20 30 HHEDRO COCCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(C#N)cc1 ZINC000554729800 1014033623 /nfs/dbraw/zinc/03/36/23/1014033623.db2.gz JAKMQWMUECXMLS-OAQYLSRUSA-N 1 0 413.468 3.695 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NC[C@H](C)CSc2ccccc2OC)cc1OC ZINC000303991586 972571659 /nfs/dbraw/zinc/57/16/59/972571659.db2.gz ZTDWPAWQKJWDPH-HNNXBMFYSA-N 1 0 403.548 3.545 20 30 HHEDRO CSc1nnc(CCCNC(=[NH2+])Nc2cccc3c2CCCC3)n1CC(C)C ZINC000304669910 972602592 /nfs/dbraw/zinc/60/25/92/972602592.db2.gz LWFHPYSKEVWCDJ-UHFFFAOYSA-N 1 0 400.596 3.894 20 30 HHEDRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)cc1 ZINC000304639625 972602694 /nfs/dbraw/zinc/60/26/94/972602694.db2.gz BZZPROKTFVFPMY-UHFFFAOYSA-N 1 0 414.575 3.521 20 30 HHEDRO [NH2+]=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)Nc1cccc2c1CCCC2 ZINC000304713728 972604124 /nfs/dbraw/zinc/60/41/24/972604124.db2.gz ZFWBNGYMQKOEEN-UHFFFAOYSA-N 1 0 407.514 3.769 20 30 HHEDRO C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Oc1ccccc1Br ZINC000304685290 972604184 /nfs/dbraw/zinc/60/41/84/972604184.db2.gz FXQVQBIVDWALSA-XJKSGUPXSA-N 1 0 404.308 3.645 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3cccc(Br)c3)CC2)cc1OC ZINC000304746139 972604327 /nfs/dbraw/zinc/60/43/27/972604327.db2.gz FPCVVKVUPXZPLV-UHFFFAOYSA-N 1 0 418.335 3.602 20 30 HHEDRO [NH2+]=C(NCCOc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000304778260 972607142 /nfs/dbraw/zinc/60/71/42/972607142.db2.gz DWYQKLZNMUZFNC-AWEZNQCLSA-N 1 0 414.815 3.561 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H](O)c1cc2ccccc2s1 ZINC000305005734 972608293 /nfs/dbraw/zinc/60/82/93/972608293.db2.gz PHVPBFHNFNEEOI-HNNXBMFYSA-N 1 0 409.433 3.938 20 30 HHEDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305180909 972610088 /nfs/dbraw/zinc/61/00/88/972610088.db2.gz BZNBBUTWSSEXSZ-CYBMUJFWSA-N 1 0 415.437 3.564 20 30 HHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1c(F)cccc1F ZINC000305185335 972610119 /nfs/dbraw/zinc/61/01/19/972610119.db2.gz CCAQOSLEPZZXHH-AWEZNQCLSA-N 1 0 402.367 3.893 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000409488932 972939382 /nfs/dbraw/zinc/93/93/82/972939382.db2.gz XAVKXDIJSKPONG-SCLBCKFNSA-N 1 0 411.449 3.547 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000409492339 972943044 /nfs/dbraw/zinc/94/30/44/972943044.db2.gz PVRUQMQRSONJCY-UONOGXRCSA-N 1 0 415.481 3.508 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409717320 973191477 /nfs/dbraw/zinc/19/14/77/973191477.db2.gz QBXQLOXNXFCACZ-UHFFFAOYSA-N 1 0 409.500 3.605 20 30 HHEDRO C=CCN1CC[C@H]([N@H+](CC)Cc2ccc(OCc3cccs3)c(OC)c2)C1=O ZINC000410318344 973862772 /nfs/dbraw/zinc/86/27/72/973862772.db2.gz WJLXYUUOOVSFMW-IBGZPJMESA-N 1 0 400.544 3.945 20 30 HHEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc1F ZINC000410322639 973870651 /nfs/dbraw/zinc/87/06/51/973870651.db2.gz WUSBMWQAEPMVQB-UHFFFAOYSA-N 1 0 401.526 3.563 20 30 HHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000425928529 974038800 /nfs/dbraw/zinc/03/88/00/974038800.db2.gz YKSUFNDHVBSRQS-IEBWSBKVSA-N 1 0 408.315 3.827 20 30 HHEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000425951284 974057114 /nfs/dbraw/zinc/05/71/14/974057114.db2.gz MJVNSDYQTDSBCV-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2)cc1 ZINC000426107765 974231756 /nfs/dbraw/zinc/23/17/56/974231756.db2.gz BHMQDKMKWZYYDO-DHIUTWEWSA-N 1 0 420.513 3.850 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC000426354343 974411313 /nfs/dbraw/zinc/41/13/13/974411313.db2.gz SNILTXCYGWZEIN-UHFFFAOYSA-N 1 0 409.486 3.944 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN([C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000426368506 974418264 /nfs/dbraw/zinc/41/82/64/974418264.db2.gz YXPGSSWSCLWMDP-QFIPXVFZSA-N 1 0 408.933 3.525 20 30 HHEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000426664945 974589786 /nfs/dbraw/zinc/58/97/86/974589786.db2.gz UJPINGJRYCYBRK-UHFFFAOYSA-N 1 0 422.455 3.899 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H]1C ZINC000426985076 974799937 /nfs/dbraw/zinc/79/99/37/974799937.db2.gz DQRJPHKYCHVEPI-PXNSSMCTSA-N 1 0 420.513 3.620 20 30 HHEDRO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)ccc1C#N ZINC000427640609 975220900 /nfs/dbraw/zinc/22/09/00/975220900.db2.gz XVPHCDWGGHDPPT-UHFFFAOYSA-N 1 0 404.495 3.625 20 30 HHEDRO N#Cc1cc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)ccc1Cl ZINC000427641851 975221506 /nfs/dbraw/zinc/22/15/06/975221506.db2.gz KWFMGZXQTFNNCB-UHFFFAOYSA-N 1 0 424.913 3.970 20 30 HHEDRO N#CCCn1ncc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1-c1ccccc1 ZINC000428193885 975519352 /nfs/dbraw/zinc/51/93/52/975519352.db2.gz CPPAAHYNATYUNE-UHFFFAOYSA-N 1 0 413.525 3.642 20 30 HHEDRO C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000428207507 975531227 /nfs/dbraw/zinc/53/12/27/975531227.db2.gz NNXFRVOPWUUYRX-IBGZPJMESA-N 1 0 413.525 3.640 20 30 HHEDRO CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000428337975 975648716 /nfs/dbraw/zinc/64/87/16/975648716.db2.gz WPEVTGUULGDQQM-NHCUHLMSSA-N 1 0 400.592 3.840 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)cc(OC)c1O ZINC000428534487 975830676 /nfs/dbraw/zinc/83/06/76/975830676.db2.gz IMGFFDSFRVUYCE-MRXNPFEDSA-N 1 0 420.347 3.833 20 30 HHEDRO C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000428791278 976066990 /nfs/dbraw/zinc/06/69/90/976066990.db2.gz ZHHAAOPIRDGFOF-PIGZYNQJSA-N 1 0 422.710 3.624 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccccc1 ZINC000428851757 976139026 /nfs/dbraw/zinc/13/90/26/976139026.db2.gz RZNUJLIBPIELBJ-FPOVZHCZSA-N 1 0 410.587 3.929 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(CCC#N)CCC(C)C ZINC000428861253 976150961 /nfs/dbraw/zinc/15/09/61/976150961.db2.gz JKRCXJWIEZLARM-UHFFFAOYSA-N 1 0 401.555 3.631 20 30 HHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)C1 ZINC000428990204 976271530 /nfs/dbraw/zinc/27/15/30/976271530.db2.gz HNRJWOSYGRKPQY-FUHIMQAGSA-N 1 0 414.619 3.879 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C#N ZINC000429014323 976295715 /nfs/dbraw/zinc/29/57/15/976295715.db2.gz YDYBZDPDLDFMDZ-GSHUGGBRSA-N 1 0 411.594 3.692 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429032294 976316256 /nfs/dbraw/zinc/31/62/56/976316256.db2.gz WOQDHDUKEITOTK-DEOSSOPVSA-N 1 0 418.541 3.547 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429047569 976334106 /nfs/dbraw/zinc/33/41/06/976334106.db2.gz XLCVNDVWIMDYBJ-NRFANRHFSA-N 1 0 422.529 3.758 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2)cc1 ZINC000429052408 976338765 /nfs/dbraw/zinc/33/87/65/976338765.db2.gz AHUOZMBXCHOSHX-IBGZPJMESA-N 1 0 406.486 3.537 20 30 HHEDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000429246491 976536077 /nfs/dbraw/zinc/53/60/77/976536077.db2.gz GRTMFTVACLBMPR-HNNXBMFYSA-N 1 0 412.534 3.787 20 30 HHEDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429246643 976536156 /nfs/dbraw/zinc/53/61/56/976536156.db2.gz OYMWXFUGCFOHPF-UHFFFAOYSA-N 1 0 413.591 3.998 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429383268 976656786 /nfs/dbraw/zinc/65/67/86/976656786.db2.gz JWWAMSRLYQBSDH-ROUUACIJSA-N 1 0 400.592 3.826 20 30 HHEDRO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)[C@H]1C(C)C ZINC000429395037 976669593 /nfs/dbraw/zinc/66/95/93/976669593.db2.gz AXXSTPIWUSVJSY-RXVVDRJESA-N 1 0 414.550 3.550 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000429462332 976734340 /nfs/dbraw/zinc/73/43/40/976734340.db2.gz QGXDERMDQMAVOU-XMMPIXPASA-N 1 0 409.530 3.742 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429651079 976944936 /nfs/dbraw/zinc/94/49/36/976944936.db2.gz HNEIFCYETVNBKE-ZVDOUQERSA-N 1 0 405.546 3.941 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429651077 976945020 /nfs/dbraw/zinc/94/50/20/976945020.db2.gz HNEIFCYETVNBKE-SFHLNBCPSA-N 1 0 405.546 3.941 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429872803 977148027 /nfs/dbraw/zinc/14/80/27/977148027.db2.gz YUPDAIXISVIYCX-IBGZPJMESA-N 1 0 420.513 3.540 20 30 HHEDRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000430180890 977374198 /nfs/dbraw/zinc/37/41/98/977374198.db2.gz SOKSDZLWQUMUHE-SFHVURJKSA-N 1 0 403.438 3.653 20 30 HHEDRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000430188970 977380479 /nfs/dbraw/zinc/38/04/79/977380479.db2.gz ULVKGNFZFZEXJR-HXUWFJFHSA-N 1 0 403.438 3.653 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000430270292 977434735 /nfs/dbraw/zinc/43/47/35/977434735.db2.gz UTVQTCZZRDBBLE-MDAIXWLXSA-N 1 0 413.562 3.597 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)CC1 ZINC000430557892 977630726 /nfs/dbraw/zinc/63/07/26/977630726.db2.gz UMFVIFKUPHTMAM-UHFFFAOYSA-N 1 0 403.482 3.701 20 30 HHEDRO C=CCN1C(=O)N(Cc2ccccc2C[NH+]2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430770874 977746816 /nfs/dbraw/zinc/74/68/16/977746816.db2.gz AASSBXIBDJJNLC-QHCPKHFHSA-N 1 0 403.526 3.844 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430975988 977922635 /nfs/dbraw/zinc/92/26/35/977922635.db2.gz DMLGOMXNKUOLCT-HSZRJFAPSA-N 1 0 403.526 3.713 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)c2cccc(SCC#N)c2)CCOCC1)c1ccccc1 ZINC000431325355 978211186 /nfs/dbraw/zinc/21/11/86/978211186.db2.gz FYISNTGQCXGJSS-GOSISDBHSA-N 1 0 409.555 3.932 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ncc(C#N)cc3Cl)c(C(F)(F)F)c2)CC1 ZINC000431555549 978358472 /nfs/dbraw/zinc/35/84/72/978358472.db2.gz IEOXZHXEDFIDBW-UHFFFAOYSA-N 1 0 423.826 3.630 20 30 HHEDRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1C#N ZINC000431605503 978379393 /nfs/dbraw/zinc/37/93/93/978379393.db2.gz RXSNBNXFWDRLOA-UHFFFAOYSA-N 1 0 409.555 3.544 20 30 HHEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCCC(=O)Nc3ccccc3C#N)cc21 ZINC000432333327 978764909 /nfs/dbraw/zinc/76/49/09/978764909.db2.gz FVXZOWMIDGBEMD-UHFFFAOYSA-N 1 0 417.513 3.822 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2=O)cc1 ZINC000432416728 978802534 /nfs/dbraw/zinc/80/25/34/978802534.db2.gz RYQHFTVGNBGGRI-MNLRITNHSA-N 1 0 424.342 3.957 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000432489914 978844758 /nfs/dbraw/zinc/84/47/58/978844758.db2.gz NEIILZWJRZQQQR-OAQYLSRUSA-N 1 0 421.497 3.941 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCCCC1 ZINC000432665821 978929178 /nfs/dbraw/zinc/92/91/78/978929178.db2.gz CSAYTNJROWGKDQ-QFIPXVFZSA-N 1 0 406.530 3.590 20 30 HHEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433021788 979044342 /nfs/dbraw/zinc/04/43/42/979044342.db2.gz YNJNALGRRCESHY-OAQYLSRUSA-N 1 0 407.514 3.831 20 30 HHEDRO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433021479 979044451 /nfs/dbraw/zinc/04/44/51/979044451.db2.gz XIQXNTXETSTZTI-SFTDATJTSA-N 1 0 407.514 3.700 20 30 HHEDRO N#CCCC[C@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000433039855 979049630 /nfs/dbraw/zinc/04/96/30/979049630.db2.gz NZTIQDVWHOSALK-QHCPKHFHSA-N 1 0 408.521 3.889 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)c1C ZINC000433049517 979051853 /nfs/dbraw/zinc/05/18/53/979051853.db2.gz VKQJJECSXMBLLN-UHFFFAOYSA-N 1 0 405.542 3.576 20 30 HHEDRO C[C@H](c1nc(Cc2ccc(F)cc2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000433207223 979142178 /nfs/dbraw/zinc/14/21/78/979142178.db2.gz JQIZOJPRCLDUHU-GOSISDBHSA-N 1 0 419.504 3.940 20 30 HHEDRO CC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CCc2ccccc2C1 ZINC000433318054 979233196 /nfs/dbraw/zinc/23/31/96/979233196.db2.gz MYYDCHOVWHZYJF-DEOSSOPVSA-N 1 0 414.557 3.785 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c(-c2ccncc2)n1 ZINC000433322105 979235607 /nfs/dbraw/zinc/23/56/07/979235607.db2.gz POEMGXIALCNDKS-IBGZPJMESA-N 1 0 420.586 3.922 20 30 HHEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)OCCO2 ZINC000433322805 979236034 /nfs/dbraw/zinc/23/60/34/979236034.db2.gz SACBETAKBLNZGX-UHFFFAOYSA-N 1 0 417.513 3.697 20 30 HHEDRO COc1ccccc1N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433323399 979236748 /nfs/dbraw/zinc/23/67/48/979236748.db2.gz WBGIACBVOWHBJA-UHFFFAOYSA-N 1 0 416.529 3.626 20 30 HHEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433325784 979238304 /nfs/dbraw/zinc/23/83/04/979238304.db2.gz IDUYZABKGJKJJE-UHFFFAOYSA-N 1 0 411.513 3.951 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000433327186 979239384 /nfs/dbraw/zinc/23/93/84/979239384.db2.gz NRMSYTDUUVSGTI-FQEVSTJZSA-N 1 0 404.493 3.756 20 30 HHEDRO C[C@H](O)[C@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000433334281 979243809 /nfs/dbraw/zinc/24/38/09/979243809.db2.gz GYJWSYQALXSLHR-CYFREDJKSA-N 1 0 403.530 3.578 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCO1 ZINC000433472207 979323718 /nfs/dbraw/zinc/32/37/18/979323718.db2.gz UUNQIHJBGBAUJD-GOSISDBHSA-N 1 0 408.502 3.973 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(Br)ccc1F ZINC000433770683 979562411 /nfs/dbraw/zinc/56/24/11/979562411.db2.gz IEWNPIUSWMJFHD-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000434811221 980415215 /nfs/dbraw/zinc/41/52/15/980415215.db2.gz XWOIKXZQBUAJCX-FPOVZHCZSA-N 1 0 407.514 3.834 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434842748 980438248 /nfs/dbraw/zinc/43/82/48/980438248.db2.gz LWFHNAPCLFWNOD-NRFANRHFSA-N 1 0 408.571 3.569 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434870454 980459004 /nfs/dbraw/zinc/45/90/04/980459004.db2.gz QPQGBCZTUOFMDY-UWJYYQICSA-N 1 0 408.571 3.889 20 30 HHEDRO N#Cc1ccsc1N1CC[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)C1=O ZINC000434870833 980459853 /nfs/dbraw/zinc/45/98/53/980459853.db2.gz UHZOKMZLBXLERX-OAQYLSRUSA-N 1 0 408.571 3.891 20 30 HHEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000434979337 980546242 /nfs/dbraw/zinc/54/62/42/980546242.db2.gz SHDGMIXWAQSTQW-WOJBJXKFSA-N 1 0 409.534 3.598 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3(c4cccc(C#N)c4)CC3)cc2)C[C@H](C)O1 ZINC000435044355 980592181 /nfs/dbraw/zinc/59/21/81/980592181.db2.gz FXKFBQPESRDUDW-OALUTQOASA-N 1 0 403.526 3.515 20 30 HHEDRO CN(c1ccccc1)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435127048 980658108 /nfs/dbraw/zinc/65/81/08/980658108.db2.gz UGAXRRIFKURTDL-UHFFFAOYSA-N 1 0 400.530 3.960 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435128441 980659898 /nfs/dbraw/zinc/65/98/98/980659898.db2.gz HSNAUKMHLDNYTD-OAQYLSRUSA-N 1 0 414.557 3.955 20 30 HHEDRO CC1CC[NH+](C[C@H]2CCCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)CC1 ZINC000435132535 980662992 /nfs/dbraw/zinc/66/29/92/980662992.db2.gz JZUSAEPAIYTLKE-OAQYLSRUSA-N 1 0 406.578 3.803 20 30 HHEDRO N#Cc1cc(F)ccc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000435162637 980690673 /nfs/dbraw/zinc/69/06/73/980690673.db2.gz NNHXCZKRXAVSAO-UHFFFAOYSA-N 1 0 410.493 3.890 20 30 HHEDRO C[N@H+](Cc1ccccc1CNC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1 ZINC000435627651 980966556 /nfs/dbraw/zinc/96/65/56/980966556.db2.gz RVANRTBCFWTBJW-UHFFFAOYSA-N 1 0 422.504 3.717 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000435750559 981015232 /nfs/dbraw/zinc/01/52/32/981015232.db2.gz YJKRUYWPLXECQB-GBXCKJPGSA-N 1 0 416.562 3.547 20 30 HHEDRO C=CCC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000435760652 981019245 /nfs/dbraw/zinc/01/92/45/981019245.db2.gz LOOMVMIRNRRMKE-HJOGWXRNSA-N 1 0 407.558 3.876 20 30 HHEDRO Cc1oc(C#N)cc1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000436207855 981250051 /nfs/dbraw/zinc/25/00/51/981250051.db2.gz HPEOCLAPQBNKGO-QGZVFWFLSA-N 1 0 405.420 3.986 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448378406 981735444 /nfs/dbraw/zinc/73/54/44/981735444.db2.gz YYVXXDJYLRTDET-HYBUGGRVSA-N 1 0 400.526 3.962 20 30 HHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(N2CCOCC2)c1 ZINC000437085621 981753953 /nfs/dbraw/zinc/75/39/53/981753953.db2.gz GQCNIUJGTFFWGM-RHKCVOJBSA-N 1 0 406.530 3.831 20 30 HHEDRO Cn1cc([C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2cccc(F)c2)cn1 ZINC000437102802 981762616 /nfs/dbraw/zinc/76/26/16/981762616.db2.gz XTXBMINIBNBCHL-LZBANZJXSA-N 1 0 405.477 3.895 20 30 HHEDRO C=CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000437150802 981799463 /nfs/dbraw/zinc/79/94/63/981799463.db2.gz LOIPHKVYCAOGGC-HNNXBMFYSA-N 1 0 410.428 3.885 20 30 HHEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000437253195 981911723 /nfs/dbraw/zinc/91/17/23/981911723.db2.gz SIRUWQFAPARHHR-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO CCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460173079 981945432 /nfs/dbraw/zinc/94/54/32/981945432.db2.gz PUAJYRSDNCSLDD-UHFFFAOYSA-N 1 0 416.529 3.558 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460281067 982057264 /nfs/dbraw/zinc/05/72/64/982057264.db2.gz MAZVRGCPNCZDTD-QFIPXVFZSA-N 1 0 400.530 3.937 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460286924 982063240 /nfs/dbraw/zinc/06/32/40/982063240.db2.gz XFVGIGLXWAKGIE-LJQANCHMSA-N 1 0 400.530 3.937 20 30 HHEDRO Cc1sc(NC(=O)CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000460365398 982141405 /nfs/dbraw/zinc/14/14/05/982141405.db2.gz NVCDNSVWMHVGMW-HZPDHXFCSA-N 1 0 410.587 3.921 20 30 HHEDRO C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460376232 982153955 /nfs/dbraw/zinc/15/39/55/982153955.db2.gz OCDAIVBUSSMWAD-PZJWPPBQSA-N 1 0 422.577 3.786 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460377509 982155423 /nfs/dbraw/zinc/15/54/23/982155423.db2.gz YWEVTVZYDKICHR-UHFFFAOYSA-N 1 0 402.546 3.937 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460377561 982155586 /nfs/dbraw/zinc/15/55/86/982155586.db2.gz UIOXEVRQKYQTNQ-KNQAVFIVSA-N 1 0 417.561 3.770 20 30 HHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460381310 982160232 /nfs/dbraw/zinc/16/02/32/982160232.db2.gz CKHFNUDHBXKUSZ-UHFFFAOYSA-N 1 0 406.509 3.768 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460383140 982161681 /nfs/dbraw/zinc/16/16/81/982161681.db2.gz DFDTZNXOIZDCDF-ICSRJNTNSA-N 1 0 408.550 3.614 20 30 HHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1CCc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460441438 982232045 /nfs/dbraw/zinc/23/20/45/982232045.db2.gz WTNMAHAELKLLSN-HSZRJFAPSA-N 1 0 412.541 3.732 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000437748529 982334747 /nfs/dbraw/zinc/33/47/47/982334747.db2.gz QRNGQXFAUKIIOE-WTIAFYNJSA-N 1 0 405.498 3.674 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460556495 982342799 /nfs/dbraw/zinc/34/27/99/982342799.db2.gz SPGLGRNSQSPDNM-MJGOQNOKSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460562390 982347750 /nfs/dbraw/zinc/34/77/50/982347750.db2.gz SFQMVROMPKNKKN-TZIWHRDSSA-N 1 0 411.594 3.957 20 30 HHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000437774185 982348225 /nfs/dbraw/zinc/34/82/25/982348225.db2.gz LCESQARVTACGAX-QHCPKHFHSA-N 1 0 419.525 3.821 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460576859 982361306 /nfs/dbraw/zinc/36/13/06/982361306.db2.gz RFRYFVMEPPRQQG-RBUKOAKNSA-N 1 0 411.550 3.505 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460580483 982364705 /nfs/dbraw/zinc/36/47/05/982364705.db2.gz WGQWQWVQLGFLAM-AZUAARDMSA-N 1 0 417.561 3.974 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460580476 982364956 /nfs/dbraw/zinc/36/49/56/982364956.db2.gz WFSCKUQNFPIVQU-RHSMWYFYSA-N 1 0 421.387 3.778 20 30 HHEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2F)c1 ZINC000437945562 982478069 /nfs/dbraw/zinc/47/80/69/982478069.db2.gz FNXKGVCMHXLZFR-HXUWFJFHSA-N 1 0 406.461 3.754 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000437950923 982482310 /nfs/dbraw/zinc/48/23/10/982482310.db2.gz FCCZUWOQFIYSJS-ODGPQVTHSA-N 1 0 419.525 3.983 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000437959411 982489374 /nfs/dbraw/zinc/48/93/74/982489374.db2.gz XTNLTISCUQLARF-FGCOXFRFSA-N 1 0 419.525 3.869 20 30 HHEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460773807 982526948 /nfs/dbraw/zinc/52/69/48/982526948.db2.gz LQOGONPVGLYSCB-GOSISDBHSA-N 1 0 421.545 3.957 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460779891 982532852 /nfs/dbraw/zinc/53/28/52/982532852.db2.gz FRWZAQAWZWNYIP-UHFFFAOYSA-N 1 0 413.566 3.752 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC)CC1 ZINC000460798126 982550588 /nfs/dbraw/zinc/55/05/88/982550588.db2.gz LVDQWGOYGJKAPA-UHFFFAOYSA-N 1 0 410.349 3.882 20 30 HHEDRO C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460944716 982680930 /nfs/dbraw/zinc/68/09/30/982680930.db2.gz HTBQXGGFHRWNHL-UHFFFAOYSA-N 1 0 422.346 3.955 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460945353 982681440 /nfs/dbraw/zinc/68/14/40/982681440.db2.gz AFSBMLGHPZDJDJ-HKUYNNGSSA-N 1 0 413.566 3.847 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460951834 982685499 /nfs/dbraw/zinc/68/54/99/982685499.db2.gz YMALLOFEZPIXDI-NRFANRHFSA-N 1 0 409.578 3.908 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460955157 982688347 /nfs/dbraw/zinc/68/83/47/982688347.db2.gz BJUHUEPYCDJIHZ-QGZVFWFLSA-N 1 0 403.477 3.796 20 30 HHEDRO C[NH+](C)C1(CNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CCC1 ZINC000438533901 982871948 /nfs/dbraw/zinc/87/19/48/982871948.db2.gz NITZOUMCKKRSEX-UHFFFAOYSA-N 1 0 422.554 3.503 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461449103 983113954 /nfs/dbraw/zinc/11/39/54/983113954.db2.gz PTIFSPZDVFYOGA-NHCUHLMSSA-N 1 0 406.526 3.854 20 30 HHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461485222 983140793 /nfs/dbraw/zinc/14/07/93/983140793.db2.gz FPKFDKWAYODSOG-YLJYHZDGSA-N 1 0 418.570 3.990 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461509548 983157378 /nfs/dbraw/zinc/15/73/78/983157378.db2.gz RRURLEAOJDPTAG-DLBZAZTESA-N 1 0 406.559 3.845 20 30 HHEDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000438988159 983196692 /nfs/dbraw/zinc/19/66/92/983196692.db2.gz QYSFNNIRUIFSDX-KXBFYZLASA-N 1 0 410.493 3.984 20 30 HHEDRO CCN(C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000439011974 983208792 /nfs/dbraw/zinc/20/87/92/983208792.db2.gz VXNYHDLFMDHEGU-SFHVURJKSA-N 1 0 410.562 3.778 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000439231432 983321087 /nfs/dbraw/zinc/32/10/87/983321087.db2.gz CERWZUABRGEDGN-SFHVURJKSA-N 1 0 417.962 3.744 20 30 HHEDRO N#CCC[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000439460354 983420211 /nfs/dbraw/zinc/42/02/11/983420211.db2.gz XQVVUCAWGZRECF-HSZRJFAPSA-N 1 0 418.541 3.815 20 30 HHEDRO C[C@@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000439583961 983461209 /nfs/dbraw/zinc/46/12/09/983461209.db2.gz AFAOWSAEMJTERY-HXUWFJFHSA-N 1 0 414.619 3.663 20 30 HHEDRO CCCc1c(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439669746 983493688 /nfs/dbraw/zinc/49/36/88/983493688.db2.gz DOGACTWODOUECD-HXUWFJFHSA-N 1 0 406.534 3.789 20 30 HHEDRO Cc1nc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1C#N ZINC000440431142 983754981 /nfs/dbraw/zinc/75/49/81/983754981.db2.gz OSBVNBSROHVYFJ-SFHVURJKSA-N 1 0 416.447 3.788 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000440488482 983774437 /nfs/dbraw/zinc/77/44/37/983774437.db2.gz CUHURSJBHLFBKI-UHFFFAOYSA-N 1 0 420.513 3.561 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000440492495 983775538 /nfs/dbraw/zinc/77/55/38/983775538.db2.gz UFUACQAOGLFWGD-OAQYLSRUSA-N 1 0 424.589 3.663 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441204550 984113702 /nfs/dbraw/zinc/11/37/02/984113702.db2.gz NIYYDRDEBAPDRC-UXHICEINSA-N 1 0 424.545 3.695 20 30 HHEDRO COc1cc(C[NH2+]CC2CCC(C#N)CC2)cc(I)c1OC ZINC000441361430 984208512 /nfs/dbraw/zinc/20/85/12/984208512.db2.gz ZEFYABCCIJIXSC-UHFFFAOYSA-N 1 0 414.287 3.728 20 30 HHEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000441605784 984351690 /nfs/dbraw/zinc/35/16/90/984351690.db2.gz UVBVKGGVTYPBOH-GOSISDBHSA-N 1 0 424.467 3.532 20 30 HHEDRO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC[C@@H]([C@H]3CCOC3)C1)CCCC2 ZINC000441665364 984382708 /nfs/dbraw/zinc/38/27/08/984382708.db2.gz RYWFONSJEFUPQE-MOPGFXCFSA-N 1 0 418.541 3.525 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000442182293 984704938 /nfs/dbraw/zinc/70/49/38/984704938.db2.gz PHLBAWBNILLRCZ-UHFFFAOYSA-N 1 0 406.408 3.883 20 30 HHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[NH+](C)C)c1 ZINC000442202647 984722518 /nfs/dbraw/zinc/72/25/18/984722518.db2.gz SXBRXCCFTJNKFX-KRWDZBQOSA-N 1 0 422.407 3.890 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)CC1 ZINC000442291962 984794365 /nfs/dbraw/zinc/79/43/65/984794365.db2.gz DTVOHZLAQXQLMC-UHFFFAOYSA-N 1 0 413.562 3.659 20 30 HHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)CC1 ZINC000461859272 984879722 /nfs/dbraw/zinc/87/97/22/984879722.db2.gz WGVQGKFPABMFJB-QFIPXVFZSA-N 1 0 422.577 3.696 20 30 HHEDRO C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000462129642 985100486 /nfs/dbraw/zinc/10/04/86/985100486.db2.gz KZWQXSKDUUMHPF-KRWDZBQOSA-N 1 0 411.933 3.975 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000462187490 985169500 /nfs/dbraw/zinc/16/95/00/985169500.db2.gz GISVYJCXKLIXHP-FDDCHVKYSA-N 1 0 415.493 3.981 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1CCC(C#N)CC1 ZINC000442742169 985198154 /nfs/dbraw/zinc/19/81/54/985198154.db2.gz XAAMCQLAHWAHHL-UHFFFAOYSA-N 1 0 421.383 3.852 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000443088813 985369271 /nfs/dbraw/zinc/36/92/71/985369271.db2.gz CBXGMZMFLKFOPS-UHFFFAOYSA-N 1 0 423.460 3.651 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443130675 985395398 /nfs/dbraw/zinc/39/53/98/985395398.db2.gz NQXFKHXTMQGPKC-JXFKEZNVSA-N 1 0 417.962 3.885 20 30 HHEDRO C[C@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000462457427 985419743 /nfs/dbraw/zinc/41/97/43/985419743.db2.gz ZQHFYMOUXLFZEN-OAHLLOKOSA-N 1 0 402.951 3.981 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1C ZINC000443361239 985523455 /nfs/dbraw/zinc/52/34/55/985523455.db2.gz MJEFEHDHVRQDIQ-YLJYHZDGSA-N 1 0 420.513 3.620 20 30 HHEDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000462606456 985550062 /nfs/dbraw/zinc/55/00/62/985550062.db2.gz PQHVFGNKCVYVST-NRFANRHFSA-N 1 0 420.513 3.838 20 30 HHEDRO N#Cc1cc(F)ccc1S(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000443509494 985681506 /nfs/dbraw/zinc/68/15/06/985681506.db2.gz LSNQDLLKUBKBRB-UHFFFAOYSA-N 1 0 421.925 3.637 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000443594612 985770711 /nfs/dbraw/zinc/77/07/11/985770711.db2.gz RJKSBWSSAHZEET-JOCHJYFZSA-N 1 0 417.513 3.650 20 30 HHEDRO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000468235514 985933000 /nfs/dbraw/zinc/93/30/00/985933000.db2.gz SVFUDUZQPKYOFS-JOCHJYFZSA-N 1 0 420.557 3.760 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468257901 985959018 /nfs/dbraw/zinc/95/90/18/985959018.db2.gz XYTMUQIFVACTOL-UHFFFAOYSA-N 1 0 418.497 3.864 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000468291118 985988754 /nfs/dbraw/zinc/98/87/54/985988754.db2.gz VJPCEBRBFYYASH-UHFFFAOYSA-N 1 0 410.514 3.641 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)c(Br)c1 ZINC000463120893 986084973 /nfs/dbraw/zinc/08/49/73/986084973.db2.gz TXOMZCIZDUMFOS-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC000443900375 986097904 /nfs/dbraw/zinc/09/79/04/986097904.db2.gz NHCCFHRXMMTRQF-NRFANRHFSA-N 1 0 404.489 3.928 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(OC)c1 ZINC000463202754 986173533 /nfs/dbraw/zinc/17/35/33/986173533.db2.gz ZLVPOGJQNLHVGS-KDQFFHPLSA-N 1 0 417.590 3.815 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c(OC)c1 ZINC000463202752 986173795 /nfs/dbraw/zinc/17/37/95/986173795.db2.gz ZLVPOGJQNLHVGS-DODNOZFWSA-N 1 0 417.590 3.815 20 30 HHEDRO C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000468663036 986372774 /nfs/dbraw/zinc/37/27/74/986372774.db2.gz VFDVHPZZDLZDBM-XRODADMRSA-N 1 0 409.574 3.783 20 30 HHEDRO C[N@H+](CCc1cccc(Br)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000463420587 986391686 /nfs/dbraw/zinc/39/16/86/986391686.db2.gz ADEAMQNZVUYDHA-MRXNPFEDSA-N 1 0 404.333 3.662 20 30 HHEDRO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000444214278 986397499 /nfs/dbraw/zinc/39/74/99/986397499.db2.gz QVNRRAKOKICURD-JOCHJYFZSA-N 1 0 412.484 3.934 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000463442217 986420542 /nfs/dbraw/zinc/42/05/42/986420542.db2.gz KNVFXHPRZUYCHS-PXDATVDWSA-N 1 0 405.542 3.575 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463506348 986481786 /nfs/dbraw/zinc/48/17/86/986481786.db2.gz JNOBVMAADDAIQS-QZTJIDSGSA-N 1 0 401.432 3.669 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000468776321 986488256 /nfs/dbraw/zinc/48/82/56/986488256.db2.gz BEYSGPGEHXAWFP-QPPBQGQZSA-N 1 0 420.532 3.837 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000468812916 986521942 /nfs/dbraw/zinc/52/19/42/986521942.db2.gz DJYQZTCGFHEWSW-HXUWFJFHSA-N 1 0 416.447 3.842 20 30 HHEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000469034635 986744348 /nfs/dbraw/zinc/74/43/48/986744348.db2.gz QVVFUUKHCVJODE-HXUWFJFHSA-N 1 0 417.340 3.887 20 30 HHEDRO Cc1sc2nc(CN3CC[NH+](CCCCC(C)(C)C#N)CC3)[nH]c(=O)c2c1C ZINC000444598063 986784980 /nfs/dbraw/zinc/78/49/80/986784980.db2.gz OHQQTEONIUADAE-UHFFFAOYSA-N 1 0 401.580 3.851 20 30 HHEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000469088780 986801771 /nfs/dbraw/zinc/80/17/71/986801771.db2.gz UCQZQOKRBJIFME-IBGZPJMESA-N 1 0 422.598 3.713 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444774329 986933683 /nfs/dbraw/zinc/93/36/83/986933683.db2.gz IOTWISCPTFCZCX-YOOZRZFBSA-N 1 0 411.590 3.623 20 30 HHEDRO COC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000469216153 986938763 /nfs/dbraw/zinc/93/87/63/986938763.db2.gz HFFVQIIXKNKUPS-CJFMBICVSA-N 1 0 421.541 3.659 20 30 HHEDRO COc1ccc(C2([NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)CCOCC2)cc1F ZINC000444815130 986968511 /nfs/dbraw/zinc/96/85/11/986968511.db2.gz PFICXOBTIXESLW-UHFFFAOYSA-N 1 0 417.868 3.593 20 30 HHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000469351773 987054486 /nfs/dbraw/zinc/05/44/86/987054486.db2.gz VMLUPPUNTBGBFI-UONOGXRCSA-N 1 0 408.340 3.839 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)cc(Br)cc1F ZINC000445802343 987863530 /nfs/dbraw/zinc/86/35/30/987863530.db2.gz MHPKMOVANHNQJQ-UHFFFAOYSA-N 1 0 422.273 3.803 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(Br)cc1F ZINC000445810685 987871336 /nfs/dbraw/zinc/87/13/36/987871336.db2.gz MRPXMSCTAUIADS-UHFFFAOYSA-N 1 0 422.273 3.803 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NCCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000470167016 988081337 /nfs/dbraw/zinc/08/13/37/988081337.db2.gz KFQYRGMSMDZWOO-LJQANCHMSA-N 1 0 420.435 3.558 20 30 HHEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000470219930 988147766 /nfs/dbraw/zinc/14/77/66/988147766.db2.gz OBXGLLCHXKTKNJ-IERDGZPVSA-N 1 0 413.905 3.727 20 30 HHEDRO CCC[C@@H]1CN(CCOc2ccccc2C#N)CC[N@@H+]1CCOc1ccccc1C#N ZINC000470221358 988149957 /nfs/dbraw/zinc/14/99/57/988149957.db2.gz YFQVZZGCEJJJBZ-HSZRJFAPSA-N 1 0 418.541 3.674 20 30 HHEDRO N#CCCN(C(=O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000470221693 988150968 /nfs/dbraw/zinc/15/09/68/988150968.db2.gz ZNXANEKQLRXFTI-QFIPXVFZSA-N 1 0 411.933 3.959 20 30 HHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000470351144 988318515 /nfs/dbraw/zinc/31/85/15/988318515.db2.gz HUJIFKHOLOARLO-UHFFFAOYSA-N 1 0 418.501 3.848 20 30 HHEDRO N#CC1(NC(=O)c2ccc3c(c2)CCCCC3=O)CC[NH+](Cc2ccccc2)CC1 ZINC000464285719 988406420 /nfs/dbraw/zinc/40/64/20/988406420.db2.gz ORLZFXZQKFCIKW-UHFFFAOYSA-N 1 0 401.510 3.884 20 30 HHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 ZINC000470629079 988643182 /nfs/dbraw/zinc/64/31/82/988643182.db2.gz UHDUGHDKCAPSRC-UHFFFAOYSA-N 1 0 418.501 3.734 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000464773482 988998144 /nfs/dbraw/zinc/99/81/44/988998144.db2.gz JGHYFXKMANZTRF-IRXDYDNUSA-N 1 0 402.608 3.737 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470964460 989028623 /nfs/dbraw/zinc/02/86/23/989028623.db2.gz YOHAZLKRBVXTTL-SJLPKXTDSA-N 1 0 414.619 3.879 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470967322 989031812 /nfs/dbraw/zinc/03/18/12/989031812.db2.gz KHPHTGPIRHIZQC-BJKOFHAPSA-N 1 0 400.526 3.611 20 30 HHEDRO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CCC3(C1)CCOCC3)CCCC2 ZINC000464817464 989054435 /nfs/dbraw/zinc/05/44/35/989054435.db2.gz WUEUGJXVQXAGTG-UHFFFAOYSA-N 1 0 418.541 3.669 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464829317 989067993 /nfs/dbraw/zinc/06/79/93/989067993.db2.gz FUIIKFYLDQMHIR-GMAHTHKFSA-N 1 0 404.558 3.776 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843023 989090656 /nfs/dbraw/zinc/09/06/56/989090656.db2.gz ORVVJEUXIADMOQ-UNMCSNQZSA-N 1 0 422.548 3.915 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860791 989116985 /nfs/dbraw/zinc/11/69/85/989116985.db2.gz ZXNBCWKHCNTCKM-XEGYQXJNSA-N 1 0 410.606 3.760 20 30 HHEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)C2)CC1 ZINC000464989522 989295254 /nfs/dbraw/zinc/29/52/54/989295254.db2.gz VTGNCTKGSCCETA-JOCHJYFZSA-N 1 0 418.541 3.511 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)c1C#N ZINC000471230738 989375214 /nfs/dbraw/zinc/37/52/14/989375214.db2.gz AGNLYVOZCKNPNQ-QHCPKHFHSA-N 1 0 400.567 3.951 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000465124847 989458098 /nfs/dbraw/zinc/45/80/98/989458098.db2.gz ZLMYEMPRCKXGIL-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+]2CCCCC2)cc1 ZINC000465397602 989746721 /nfs/dbraw/zinc/74/67/21/989746721.db2.gz BWCARSRKSLIKDW-JOCHJYFZSA-N 1 0 410.493 3.732 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000471581666 989785720 /nfs/dbraw/zinc/78/57/20/989785720.db2.gz QGOFGBWYLWHWAE-XMMPIXPASA-N 1 0 421.541 3.710 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000465534376 989896955 /nfs/dbraw/zinc/89/69/55/989896955.db2.gz QEEZNQCIRPSEHT-BJKOFHAPSA-N 1 0 402.542 3.916 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000465558936 989924206 /nfs/dbraw/zinc/92/42/06/989924206.db2.gz VMOZUUCQKGPBAW-GOTSBHOMSA-N 1 0 406.530 3.608 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000465664591 990050524 /nfs/dbraw/zinc/05/05/24/990050524.db2.gz OSPHYXMZVZZQCU-SFTDATJTSA-N 1 0 412.603 3.829 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)n1 ZINC000471878909 990051535 /nfs/dbraw/zinc/05/15/35/990051535.db2.gz WRUBYVBDFWIGGY-GMAHTHKFSA-N 1 0 423.605 3.593 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1c1ccccc1 ZINC000471956795 990121326 /nfs/dbraw/zinc/12/13/26/990121326.db2.gz GDULFOCPFIJWEI-NQIIRXRSSA-N 1 0 420.904 3.964 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1c1ccccc1 ZINC000471957431 990122400 /nfs/dbraw/zinc/12/24/00/990122400.db2.gz VFLMFPKFEZXESX-NQIIRXRSSA-N 1 0 420.904 3.964 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000471969816 990135054 /nfs/dbraw/zinc/13/50/54/990135054.db2.gz KOVIHGXWJXLEKO-OAHLLOKOSA-N 1 0 401.486 3.585 20 30 HHEDRO Cc1ccccc1O[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466179630 991372437 /nfs/dbraw/zinc/37/24/37/991372437.db2.gz UWNAKDHYTKCBFW-FQEVSTJZSA-N 1 0 406.530 3.552 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc(OC)c1O ZINC000466361097 991629908 /nfs/dbraw/zinc/62/99/08/991629908.db2.gz OYZZMEFPISFZAX-UHFFFAOYSA-N 1 0 402.922 3.909 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000466376215 991657549 /nfs/dbraw/zinc/65/75/49/991657549.db2.gz FFTBMBIPOOKJAK-UHFFFAOYSA-N 1 0 420.435 3.925 20 30 HHEDRO COc1cc(C[NH2+]CCc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000466411574 991704215 /nfs/dbraw/zinc/70/42/15/991704215.db2.gz CMALRIPMEHSSBO-UHFFFAOYSA-N 1 0 409.364 3.748 20 30 HHEDRO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000466468272 991758879 /nfs/dbraw/zinc/75/88/79/991758879.db2.gz CYMBCFQRTGDOBM-RTBURBONSA-N 1 0 412.578 3.868 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000466604178 991920997 /nfs/dbraw/zinc/92/09/97/991920997.db2.gz LKDDHPJIGIUBFV-UHFFFAOYSA-N 1 0 417.579 3.637 20 30 HHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ncccc1OCCCC#N ZINC000466610675 991927137 /nfs/dbraw/zinc/92/71/37/991927137.db2.gz QSPDGRFBZXTIHL-HXUWFJFHSA-N 1 0 407.518 3.750 20 30 HHEDRO C[C@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466614946 991931180 /nfs/dbraw/zinc/93/11/80/991931180.db2.gz ZPZNNDKHOIPSNN-IBGZPJMESA-N 1 0 407.518 3.892 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466616690 991932752 /nfs/dbraw/zinc/93/27/52/991932752.db2.gz OCQSUFMWTDLRCR-AZUAARDMSA-N 1 0 407.518 3.796 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000466628697 991944200 /nfs/dbraw/zinc/94/42/00/991944200.db2.gz RHCDQIVCXJAPAK-UHFFFAOYSA-N 1 0 407.518 3.798 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)cc1 ZINC000466886240 992206179 /nfs/dbraw/zinc/20/61/79/992206179.db2.gz DMXJIDXAYYXYNM-UHFFFAOYSA-N 1 0 400.486 3.688 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CC1 ZINC000467244320 992566535 /nfs/dbraw/zinc/56/65/35/992566535.db2.gz WCJYJPGUEVVJAW-UHFFFAOYSA-N 1 0 419.953 3.614 20 30 HHEDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000472233424 993261994 /nfs/dbraw/zinc/26/19/94/993261994.db2.gz PWLFMPWZKNRTNQ-LJQANCHMSA-N 1 0 412.534 3.695 20 30 HHEDRO Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000472239485 993267353 /nfs/dbraw/zinc/26/73/53/993267353.db2.gz MFSYHLXTRROIMB-UHFFFAOYSA-N 1 0 403.530 3.632 20 30 HHEDRO Cc1ncsc1C[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472259693 993285078 /nfs/dbraw/zinc/28/50/78/993285078.db2.gz PAZIWEMUWRHPJN-UHFFFAOYSA-N 1 0 411.531 3.843 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1Cl ZINC000472272948 993294193 /nfs/dbraw/zinc/29/41/93/993294193.db2.gz FMIDSWVJPZZMLN-FQEVSTJZSA-N 1 0 424.932 3.825 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000472323328 993333996 /nfs/dbraw/zinc/33/39/96/993333996.db2.gz FZFWFDCWVYAJNH-NRFANRHFSA-N 1 0 402.498 3.744 20 30 HHEDRO N#Cc1cccc(CS(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000472735390 993664263 /nfs/dbraw/zinc/66/42/63/993664263.db2.gz FNXDLEJHWHQKKE-UHFFFAOYSA-N 1 0 417.962 3.639 20 30 HHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CCCC1)c1ccccc1 ZINC000481059582 993901186 /nfs/dbraw/zinc/90/11/86/993901186.db2.gz NUGPPNGAIDHXNV-KRWDZBQOSA-N 1 0 415.534 3.780 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCSC3(CCOCC3)C2)sc2c1CCCCC2 ZINC000473183897 994048660 /nfs/dbraw/zinc/04/86/60/994048660.db2.gz CQBIJOBTYQWFKU-UHFFFAOYSA-N 1 0 419.616 3.815 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000473283074 994131135 /nfs/dbraw/zinc/13/11/35/994131135.db2.gz ORVSKIKNTQQRGT-UHFFFAOYSA-N 1 0 404.436 3.602 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc(C#N)o2)cc1Cl ZINC000481496502 994329052 /nfs/dbraw/zinc/32/90/52/994329052.db2.gz LGSZJOZYRMNJMI-UHFFFAOYSA-N 1 0 402.882 3.519 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473497003 994342558 /nfs/dbraw/zinc/34/25/58/994342558.db2.gz PTVZGUXBDRCFFU-NBGIEHNGSA-N 1 0 403.526 3.840 20 30 HHEDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000481681526 994542079 /nfs/dbraw/zinc/54/20/79/994542079.db2.gz DWCSXIUUIMMIAD-NRFANRHFSA-N 1 0 405.564 3.785 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000473774369 994695973 /nfs/dbraw/zinc/69/59/73/994695973.db2.gz GHFASGAYRSFGPM-RTBURBONSA-N 1 0 420.557 3.881 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481848635 994704085 /nfs/dbraw/zinc/70/40/85/994704085.db2.gz OZEOJTVCEIVDDB-KWOQKUFVSA-N 1 0 403.526 3.839 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000473793838 994718070 /nfs/dbraw/zinc/71/80/70/994718070.db2.gz HWYMWHMPZUZLBY-WTOYTKOKSA-N 1 0 419.525 3.893 20 30 HHEDRO COc1ccc([C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000481911866 994784441 /nfs/dbraw/zinc/78/44/41/994784441.db2.gz STYSYYNMXMLZSA-RPBOFIJWSA-N 1 0 405.542 3.997 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Nc2nc(C)cs2)CC1)C(C)C ZINC000473886684 994836215 /nfs/dbraw/zinc/83/62/15/994836215.db2.gz RETNDDCZMPJIPY-IBGZPJMESA-N 1 0 405.612 3.736 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000482001563 994902830 /nfs/dbraw/zinc/90/28/30/994902830.db2.gz UJOFYRQVGNOVHQ-OAQYLSRUSA-N 1 0 413.518 3.795 20 30 HHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000482002798 994904833 /nfs/dbraw/zinc/90/48/33/994904833.db2.gz ZQUNMIJUYMLOGU-UHFFFAOYSA-N 1 0 421.541 3.710 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)c2)c1 ZINC000473991151 994980148 /nfs/dbraw/zinc/98/01/48/994980148.db2.gz CGZFKZVVYJBBRV-UHFFFAOYSA-N 1 0 415.497 3.679 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000474162294 995146884 /nfs/dbraw/zinc/14/68/84/995146884.db2.gz ZXMWQACNUXAHDX-QGZVFWFLSA-N 1 0 404.461 3.645 20 30 HHEDRO COC(=O)c1ccc(COc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2OC)o1 ZINC000482201772 995182353 /nfs/dbraw/zinc/18/23/53/995182353.db2.gz XIKUUZREYKGATQ-UHFFFAOYSA-N 1 0 406.438 3.815 20 30 HHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000474455669 995417783 /nfs/dbraw/zinc/41/77/83/995417783.db2.gz KBOSIYCVEJOQGW-UHFFFAOYSA-N 1 0 407.539 3.646 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482478902 995484731 /nfs/dbraw/zinc/48/47/31/995484731.db2.gz OJWZXVBPSZVSBC-DYESRHJHSA-N 1 0 406.534 3.787 20 30 HHEDRO C[C@H]1CN(Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000482547733 995555568 /nfs/dbraw/zinc/55/55/68/995555568.db2.gz GBZWVBZRBDUWKO-OALUTQOASA-N 1 0 418.541 3.656 20 30 HHEDRO C=CCN1CCC([NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000482643914 995638437 /nfs/dbraw/zinc/63/84/37/995638437.db2.gz BJUPCHBIDXZDQO-KRWDZBQOSA-N 1 0 412.315 3.745 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482695620 995686927 /nfs/dbraw/zinc/68/69/27/995686927.db2.gz SZPVUXVUMBGGBA-AVRDEDQJSA-N 1 0 402.441 3.600 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000474878139 995772535 /nfs/dbraw/zinc/77/25/35/995772535.db2.gz ISNHXBRVIODFTF-UHFFFAOYSA-N 1 0 421.541 3.756 20 30 HHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)cc1OC ZINC000482826371 995775035 /nfs/dbraw/zinc/77/50/35/995775035.db2.gz KSZMLALNGXMBRS-XUZZJYLKSA-N 1 0 422.525 3.976 20 30 HHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000474899530 995787935 /nfs/dbraw/zinc/78/79/35/995787935.db2.gz CPTZQLDQJVINHZ-UHFFFAOYSA-N 1 0 421.566 3.787 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000482932850 995861795 /nfs/dbraw/zinc/86/17/95/995861795.db2.gz PBQCEYILOWDSAG-QWFCFKBJSA-N 1 0 415.607 3.571 20 30 HHEDRO C=CCOc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1OC ZINC000475098733 995920412 /nfs/dbraw/zinc/92/04/12/995920412.db2.gz OGUXSJOYUALCHF-ROUUACIJSA-N 1 0 405.539 3.761 20 30 HHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000483034888 995933184 /nfs/dbraw/zinc/93/31/84/995933184.db2.gz HDWULEAEFBSBRM-QHCPKHFHSA-N 1 0 412.509 3.934 20 30 HHEDRO CCOC(=O)c1c2c(sc1NC(=O)c1ccnc(C#N)c1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000483045585 995938772 /nfs/dbraw/zinc/93/87/72/995938772.db2.gz JANPVJAPNFVJDC-UHFFFAOYSA-N 1 0 412.515 3.603 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccc(F)c(F)c1 ZINC000483287902 996081814 /nfs/dbraw/zinc/08/18/14/996081814.db2.gz DAKPAYOGJAZYCB-SPEDKVCISA-N 1 0 420.548 3.782 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000475424735 996129837 /nfs/dbraw/zinc/12/98/37/996129837.db2.gz PIJFERFSGKXGRS-OBXNSHGQSA-N 1 0 412.331 3.969 20 30 HHEDRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000475452934 996149755 /nfs/dbraw/zinc/14/97/55/996149755.db2.gz WIGLDNGPNTXWRO-UHFFFAOYSA-N 1 0 404.514 3.518 20 30 HHEDRO N#Cc1ccsc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483492033 996215449 /nfs/dbraw/zinc/21/54/49/996215449.db2.gz NTLKSURGNHHMDE-LEWJYISDSA-N 1 0 408.571 3.935 20 30 HHEDRO N#Cc1ccsc1NC(=O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483492037 996215899 /nfs/dbraw/zinc/21/58/99/996215899.db2.gz NTLKSURGNHHMDE-RTWAWAEBSA-N 1 0 408.571 3.935 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000475787151 996371191 /nfs/dbraw/zinc/37/11/91/996371191.db2.gz FNBMCEZWLYJWEN-QFBILLFUSA-N 1 0 417.962 3.885 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000475799405 996378256 /nfs/dbraw/zinc/37/82/56/996378256.db2.gz KFYUSFWUNURGMZ-UHFFFAOYSA-N 1 0 424.476 3.818 20 30 HHEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000476013403 996541768 /nfs/dbraw/zinc/54/17/68/996541768.db2.gz QRCYIHGJZOWGAM-ZFGGDYGUSA-N 1 0 407.562 3.739 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000476048951 996566619 /nfs/dbraw/zinc/56/66/19/996566619.db2.gz IFJXPJPJKYJNIH-QFBILLFUSA-N 1 0 402.420 3.785 20 30 HHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3nc4c(cc3C#N)CCCC4)cc2)CC1 ZINC000484138029 996592577 /nfs/dbraw/zinc/59/25/77/996592577.db2.gz CJXFKTZOEOSIMB-UHFFFAOYSA-N 1 0 403.530 3.615 20 30 HHEDRO CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000484241701 996654377 /nfs/dbraw/zinc/65/43/77/996654377.db2.gz GHSVKEPWBNYPCF-NHCUHLMSSA-N 1 0 400.592 3.840 20 30 HHEDRO C[C@H]1C[C@H](CCNS(=O)(=O)CC2(C#N)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000476424786 996892986 /nfs/dbraw/zinc/89/29/86/996892986.db2.gz HOVKDDWOWARFKD-FPOVZHCZSA-N 1 0 403.592 3.681 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)nc2)CC1 ZINC000484627695 996960562 /nfs/dbraw/zinc/96/05/62/996960562.db2.gz UYWRVZCVGVKRRI-UHFFFAOYSA-N 1 0 413.481 3.750 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000476597700 997102905 /nfs/dbraw/zinc/10/29/05/997102905.db2.gz ONYZCONIQWKECK-UHFFFAOYSA-N 1 0 414.575 3.544 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CC[C@@H](C)C1 ZINC000484895946 997263827 /nfs/dbraw/zinc/26/38/27/997263827.db2.gz RDXVIKTWWCZYJG-APWZRJJASA-N 1 0 412.534 3.693 20 30 HHEDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000485141783 997525496 /nfs/dbraw/zinc/52/54/96/997525496.db2.gz CAXWBANOWZCGKS-OTQYULQBSA-N 1 0 401.551 3.845 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000476947433 997563439 /nfs/dbraw/zinc/56/34/39/997563439.db2.gz CUXBQIRPNYPHET-KRWDZBQOSA-N 1 0 410.484 3.624 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477004734 997636244 /nfs/dbraw/zinc/63/62/44/997636244.db2.gz PYVNYWGWKHXWLR-IERDGZPVSA-N 1 0 400.885 3.572 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1C#N ZINC000477044324 997680319 /nfs/dbraw/zinc/68/03/19/997680319.db2.gz BFDHGAIFVINLIS-XMMPIXPASA-N 1 0 424.545 3.839 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(OCC(F)(F)F)c3)C2=O)cc1 ZINC000485294279 997697274 /nfs/dbraw/zinc/69/72/74/997697274.db2.gz YXKDNAANTHGHFT-IBGZPJMESA-N 1 0 403.404 3.785 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000485430690 997869067 /nfs/dbraw/zinc/86/90/67/997869067.db2.gz GTIBYWFTRWNXAB-QHCPKHFHSA-N 1 0 422.960 3.961 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)CNc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477485258 998205982 /nfs/dbraw/zinc/20/59/82/998205982.db2.gz OUAUGCWMYDYRGB-IIBYNOLFSA-N 1 0 400.885 3.572 20 30 HHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000477492894 998213743 /nfs/dbraw/zinc/21/37/43/998213743.db2.gz KLAKXQWSZCTQAA-AKFKNWHVSA-N 1 0 402.498 3.673 20 30 HHEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000485832555 998298345 /nfs/dbraw/zinc/29/83/45/998298345.db2.gz KIKSHBBWVODQIN-KRWDZBQOSA-N 1 0 402.947 3.924 20 30 HHEDRO CCN(C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713456 998434866 /nfs/dbraw/zinc/43/48/66/998434866.db2.gz DPEGGOFGOHQRHK-SFANZJOMSA-N 1 0 416.532 3.512 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477723420 998450998 /nfs/dbraw/zinc/45/09/98/998450998.db2.gz IYOAHTKUNHNWOL-AWEZNQCLSA-N 1 0 416.875 3.746 20 30 HHEDRO CSc1cccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000486126265 998574426 /nfs/dbraw/zinc/57/44/26/998574426.db2.gz WPQNMRGFUXLYKH-UHFFFAOYSA-N 1 0 410.499 3.536 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(C(F)F)CC2)c1C#N ZINC000486137443 998585871 /nfs/dbraw/zinc/58/58/71/998585871.db2.gz OGHSKQJTQPUIET-UHFFFAOYSA-N 1 0 404.461 3.924 20 30 HHEDRO C=CCSc1ccccc1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000486210061 998648982 /nfs/dbraw/zinc/64/89/82/998648982.db2.gz ABJBERMTLPFYCX-FQEVSTJZSA-N 1 0 423.582 3.592 20 30 HHEDRO C=CCOc1ccccc1CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000486263415 998683417 /nfs/dbraw/zinc/68/34/17/998683417.db2.gz ZVOOHUDWHAVOMS-NQIIRXRSSA-N 1 0 422.525 3.754 20 30 HHEDRO Cn1cc(C[NH2+]CCNc2cccc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000486475195 998786122 /nfs/dbraw/zinc/78/61/22/998786122.db2.gz JUFTYZXSUWHENC-UHFFFAOYSA-N 1 0 410.319 3.923 20 30 HHEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478272906 998856968 /nfs/dbraw/zinc/85/69/68/998856968.db2.gz IQUNZOPYTJBUMN-NRFANRHFSA-N 1 0 414.488 3.728 20 30 HHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000478327530 998890741 /nfs/dbraw/zinc/89/07/41/998890741.db2.gz MXDOUBDCTXIMRK-FQEVSTJZSA-N 1 0 416.525 3.972 20 30 HHEDRO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)ccc1OCc1cccc(C#N)c1 ZINC000486791662 998941897 /nfs/dbraw/zinc/94/18/97/998941897.db2.gz OJLWJVCMQOZKQK-REWPJTCUSA-N 1 0 410.539 3.852 20 30 HHEDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000478412901 998944422 /nfs/dbraw/zinc/94/44/22/998944422.db2.gz HSLXZFLQVHPRKM-UHFFFAOYSA-N 1 0 407.333 3.619 20 30 HHEDRO COc1cc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc(OC)c1OC ZINC000486808577 998949207 /nfs/dbraw/zinc/94/92/07/998949207.db2.gz LFQKFVJBQFUYOQ-UHFFFAOYSA-N 1 0 423.557 3.831 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(OCC(F)(F)F)c(F)c3)C2=O)cc1 ZINC000486876871 998986229 /nfs/dbraw/zinc/98/62/29/998986229.db2.gz DIYNNJJNHWNYRN-GOSISDBHSA-N 1 0 421.394 3.529 20 30 HHEDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000486876928 998986543 /nfs/dbraw/zinc/98/65/43/998986543.db2.gz AMKDVMRMEPZUFJ-OAQYLSRUSA-N 1 0 407.514 3.636 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000478563611 999026464 /nfs/dbraw/zinc/02/64/64/999026464.db2.gz QZXMOBXGMUCWBH-ZJSXRUAMSA-N 1 0 402.542 3.751 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487086391 999058668 /nfs/dbraw/zinc/05/86/68/999058668.db2.gz LMCYMDZLHGYFNC-XUZZJYLKSA-N 1 0 405.542 3.642 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487086387 999058709 /nfs/dbraw/zinc/05/87/09/999058709.db2.gz LMCYMDZLHGYFNC-URXFXBBRSA-N 1 0 405.542 3.642 20 30 HHEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)cc2C1=O ZINC000478639867 999060265 /nfs/dbraw/zinc/06/02/65/999060265.db2.gz PLLHDQBODMSFFK-SFHVURJKSA-N 1 0 423.557 3.585 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487353844 999144513 /nfs/dbraw/zinc/14/45/13/999144513.db2.gz KRQSXDGZVIZGRS-KNQAVFIVSA-N 1 0 421.541 3.753 20 30 HHEDRO CC(=O)Nc1ccc(Cl)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479213742 999328578 /nfs/dbraw/zinc/32/85/78/999328578.db2.gz JDSDKTBISRHEEF-UHFFFAOYSA-N 1 0 410.905 3.587 20 30 HHEDRO Cc1oc(-c2cccs2)nc1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479217289 999330018 /nfs/dbraw/zinc/33/00/18/999330018.db2.gz OJECKJGWPYVFCB-UHFFFAOYSA-N 1 0 420.538 3.929 20 30 HHEDRO CCOc1ccccc1OCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479238366 999339372 /nfs/dbraw/zinc/33/93/72/999339372.db2.gz CZRUPRZXWNWAFI-UHFFFAOYSA-N 1 0 421.541 3.919 20 30 HHEDRO Cc1noc2nc(C(C)C)cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c12 ZINC000479275284 999359678 /nfs/dbraw/zinc/35/96/78/999359678.db2.gz JUFACSRSOIEPBQ-UHFFFAOYSA-N 1 0 417.513 3.943 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000479277498 999361219 /nfs/dbraw/zinc/36/12/19/999361219.db2.gz LKXMKLKXLZDFDE-UHFFFAOYSA-N 1 0 406.530 3.767 20 30 HHEDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479290074 999367685 /nfs/dbraw/zinc/36/76/85/999367685.db2.gz SJBRGUSAHHCPIG-QGZVFWFLSA-N 1 0 424.526 3.750 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)C2=O)cc1 ZINC000479435515 999415310 /nfs/dbraw/zinc/41/53/10/999415310.db2.gz HICGEOCJHQWVGY-ISKFKSNPSA-N 1 0 411.509 3.907 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)C2=O)cc1 ZINC000479452509 999424141 /nfs/dbraw/zinc/42/41/41/999424141.db2.gz IXXSTBJNHZITJW-UPVQGACJSA-N 1 0 411.509 3.512 20 30 HHEDRO Cc1cc(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479525551 999460675 /nfs/dbraw/zinc/46/06/75/999460675.db2.gz DZBATQBCCPDUTJ-FQEVSTJZSA-N 1 0 411.594 3.669 20 30 HHEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000488479824 999501949 /nfs/dbraw/zinc/50/19/49/999501949.db2.gz BUFGXGYFCWCTAK-KKSFZXQISA-N 1 0 424.932 3.628 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000488490854 999505468 /nfs/dbraw/zinc/50/54/68/999505468.db2.gz UXPLWDZCFSAWBC-UGKGYDQZSA-N 1 0 421.541 3.753 20 30 HHEDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000479622451 999505625 /nfs/dbraw/zinc/50/56/25/999505625.db2.gz UWYKLWGCTVHYGM-UHFFFAOYSA-N 1 0 409.555 3.892 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000488498067 999508370 /nfs/dbraw/zinc/50/83/70/999508370.db2.gz MXUDNYUCNMKHPL-MGPUTAFESA-N 1 0 417.431 3.951 20 30 HHEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000479635392 999512773 /nfs/dbraw/zinc/51/27/73/999512773.db2.gz BSMFXUNGWCBJGS-FQEVSTJZSA-N 1 0 409.555 3.532 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Oc1ccccc1C#N ZINC000488836853 999623000 /nfs/dbraw/zinc/62/30/00/999623000.db2.gz BNWAEVYPRKOHKH-GOSISDBHSA-N 1 0 405.498 3.676 20 30 HHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000488880690 999635401 /nfs/dbraw/zinc/63/54/01/999635401.db2.gz NYVGBLUCPLJZGN-OAQYLSRUSA-N 1 0 421.566 3.645 20 30 HHEDRO Cc1ccc2c(ncc(C#N)c2NCC2([NH+](C)C)CCOCC2)c1Br ZINC000480003300 999682586 /nfs/dbraw/zinc/68/25/86/999682586.db2.gz GSWJUDSIZODZME-UHFFFAOYSA-N 1 0 403.324 3.700 20 30 HHEDRO C=CCn1cccc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000489082708 999693824 /nfs/dbraw/zinc/69/38/24/999693824.db2.gz UKAGGBXIXVAFHZ-UHFFFAOYSA-N 1 0 401.514 3.644 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489113896 999703282 /nfs/dbraw/zinc/70/32/82/999703282.db2.gz IDJDKJVNMFLTKR-QFBILLFUSA-N 1 0 401.507 3.543 20 30 HHEDRO N#Cc1c(C#N)c(N2CCC(OCC[NH+]3CCCC3)CC2)nc2c1CCCCCC2 ZINC000480066625 999707564 /nfs/dbraw/zinc/70/75/64/999707564.db2.gz YYFZKKKYMDTQLD-UHFFFAOYSA-N 1 0 407.562 3.565 20 30 HHEDRO CC(C)[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)[NH+]1CCN(C)CC1 ZINC000480121205 999722704 /nfs/dbraw/zinc/72/27/04/999722704.db2.gz PPPCXOLGZRGBQI-QFIPXVFZSA-N 1 0 422.598 3.711 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000480378474 999784232 /nfs/dbraw/zinc/78/42/32/999784232.db2.gz SQBHCTWPGLBGSW-VGSWGCGISA-N 1 0 410.518 3.705 20 30 HHEDRO Cn1cc(C[NH2+]CCCOc2ccc(C(F)(F)F)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000480477786 999808051 /nfs/dbraw/zinc/80/80/51/999808051.db2.gz QSHONJKYWDTAGU-UHFFFAOYSA-N 1 0 415.419 3.931 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000489677801 999815973 /nfs/dbraw/zinc/81/59/73/999815973.db2.gz LWENRUALMMHKTB-SFHVURJKSA-N 1 0 408.546 3.939 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000480573031 999829801 /nfs/dbraw/zinc/82/98/01/999829801.db2.gz VMEDTUGJDCYHCV-UHFFFAOYSA-N 1 0 419.525 3.925 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480624035 999843794 /nfs/dbraw/zinc/84/37/94/999843794.db2.gz PUTXZFRMAMOVBR-KIVTUJJHSA-N 1 0 422.548 3.718 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C(=O)Nc4cccc(F)c4)CC3)C2=O)cc1 ZINC000489967139 999870264 /nfs/dbraw/zinc/87/02/64/999870264.db2.gz RPNLQLHBYNXBHF-QFIPXVFZSA-N 1 0 420.488 3.543 20 30 HHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@@H]2C1 ZINC000490402186 999951928 /nfs/dbraw/zinc/95/19/28/999951928.db2.gz PIEUAKUBNNMYRD-WMZHIEFXSA-N 1 0 404.514 3.890 20 30 HHEDRO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797117 1000007437 /nfs/dbraw/zinc/00/74/37/1000007437.db2.gz NSLJEZJRWHOYAN-SIKLNZKXSA-N 1 0 418.541 3.694 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000490833807 1000013492 /nfs/dbraw/zinc/01/34/92/1000013492.db2.gz HMFQFQIJTIYMMB-UHFFFAOYSA-N 1 0 404.312 3.554 20 30 HHEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)n1 ZINC000491146864 1000050206 /nfs/dbraw/zinc/05/02/06/1000050206.db2.gz PGUFLRXYVKDMHQ-FQEVSTJZSA-N 1 0 414.513 3.513 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491193779 1000053841 /nfs/dbraw/zinc/05/38/41/1000053841.db2.gz FAXKIHMWMHLYQP-UHFFFAOYSA-N 1 0 424.508 3.681 20 30 HHEDRO COc1ccc([C@@H]2CC[N@H+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000504541165 1000258952 /nfs/dbraw/zinc/25/89/52/1000258952.db2.gz ZASQIFDHOCOGRH-LJQANCHMSA-N 1 0 416.443 3.671 20 30 HHEDRO C[C@H]1[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000494019532 1000271399 /nfs/dbraw/zinc/27/13/99/1000271399.db2.gz USNXDYYTSRKLLY-WMZHIEFXSA-N 1 0 413.525 3.857 20 30 HHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccccc2)c1 ZINC000494039935 1000280163 /nfs/dbraw/zinc/28/01/63/1000280163.db2.gz QZFMIHVJVWKKRY-HSZRJFAPSA-N 1 0 406.507 3.720 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000494195702 1000356218 /nfs/dbraw/zinc/35/62/18/1000356218.db2.gz QVJFPPUEWWNCID-CVDCTZTESA-N 1 0 421.541 3.607 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000504965695 1000476416 /nfs/dbraw/zinc/47/64/16/1000476416.db2.gz POAKYIYHPJOIHO-UHFFFAOYSA-N 1 0 408.521 3.892 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494586306 1000565324 /nfs/dbraw/zinc/56/53/24/1000565324.db2.gz YVBRPEWYMMZAET-DQEYMECFSA-N 1 0 417.553 3.803 20 30 HHEDRO COc1cccc([C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+]2CCCC2)c1 ZINC000505165419 1000590229 /nfs/dbraw/zinc/59/02/29/1000590229.db2.gz XOJZTZSEBWIKHM-QFIPXVFZSA-N 1 0 409.505 3.937 20 30 HHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000494682097 1000602509 /nfs/dbraw/zinc/60/25/09/1000602509.db2.gz OKDAVMOLRLWYIT-SFHVURJKSA-N 1 0 400.548 3.723 20 30 HHEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494753315 1000635539 /nfs/dbraw/zinc/63/55/39/1000635539.db2.gz XVOZLSQVBPLUDL-OPYAIIAOSA-N 1 0 412.578 3.867 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000505298446 1000681795 /nfs/dbraw/zinc/68/17/95/1000681795.db2.gz RKOVIMKZYXAURD-ROUUACIJSA-N 1 0 402.564 3.514 20 30 HHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)CC1 ZINC000505359631 1000723228 /nfs/dbraw/zinc/72/32/28/1000723228.db2.gz MBNGOKRNXLBWNH-UHFFFAOYSA-N 1 0 404.514 3.520 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)c(F)c1 ZINC000505413036 1000755544 /nfs/dbraw/zinc/75/55/44/1000755544.db2.gz FDRHAWFCYIMEGT-UHFFFAOYSA-N 1 0 420.532 3.826 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc([S@@](C)=O)cc1 ZINC000494985420 1000763655 /nfs/dbraw/zinc/76/36/55/1000763655.db2.gz JWBLGXKCLKFCIU-MUUNZHRXSA-N 1 0 415.584 3.697 20 30 HHEDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000505496848 1000830543 /nfs/dbraw/zinc/83/05/43/1000830543.db2.gz UGVVVSGJPLRQEC-FQEVSTJZSA-N 1 0 405.527 3.681 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)CC1 ZINC000505527530 1000873245 /nfs/dbraw/zinc/87/32/45/1000873245.db2.gz VEGNDIPHNVIWFK-UHFFFAOYSA-N 1 0 406.505 3.505 20 30 HHEDRO C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505598373 1000927423 /nfs/dbraw/zinc/92/74/23/1000927423.db2.gz YUXZNBFVYCFGFY-XMSQKQJNSA-N 1 0 401.514 3.885 20 30 HHEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nnc2ccccn21 ZINC000495384636 1000992926 /nfs/dbraw/zinc/99/29/26/1000992926.db2.gz FRVPCTARSJXIHM-FQEVSTJZSA-N 1 0 422.558 3.857 20 30 HHEDRO CCCOCc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000505773640 1001015914 /nfs/dbraw/zinc/01/59/14/1001015914.db2.gz QMFDKMXHHQXJQK-UHFFFAOYSA-N 1 0 420.557 3.902 20 30 HHEDRO CCC(CC)c1nnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000505774924 1001016449 /nfs/dbraw/zinc/01/64/49/1001016449.db2.gz ZVQXAHCDMPKTQN-UHFFFAOYSA-N 1 0 400.552 3.909 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000505784984 1001022338 /nfs/dbraw/zinc/02/23/38/1001022338.db2.gz RRSOQPIIIRTFKE-QUCCMNQESA-N 1 0 404.297 3.784 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000495671561 1001060207 /nfs/dbraw/zinc/06/02/07/1001060207.db2.gz ODTOOUSGBPCLDB-TZIWHRDSSA-N 1 0 411.596 3.968 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C(C)C ZINC000495965745 1001103213 /nfs/dbraw/zinc/10/32/13/1001103213.db2.gz MTNSZFUIGIUBSG-MOPGFXCFSA-N 1 0 403.592 3.558 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)C(C)C ZINC000496011992 1001110805 /nfs/dbraw/zinc/11/08/05/1001110805.db2.gz AAKPBQSQJHBELX-XZOQPEGZSA-N 1 0 411.590 3.662 20 30 HHEDRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)nn1-c1cccc(C#N)c1 ZINC000506203224 1001276858 /nfs/dbraw/zinc/27/68/58/1001276858.db2.gz CAUKPYLNGSLXNJ-OAQYLSRUSA-N 1 0 405.546 3.781 20 30 HHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(COc3ccccc3C#N)o2)o1 ZINC000497380897 1001322491 /nfs/dbraw/zinc/32/24/91/1001322491.db2.gz CKBXUBWXICSCKM-UHFFFAOYSA-N 1 0 407.470 3.836 20 30 HHEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000497413237 1001349590 /nfs/dbraw/zinc/34/95/90/1001349590.db2.gz AHURILVKMOIEQK-NHCUHLMSSA-N 1 0 412.578 3.567 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 ZINC000497850408 1001536223 /nfs/dbraw/zinc/53/62/23/1001536223.db2.gz HVZUAJIBPXMLOA-UHFFFAOYSA-N 1 0 413.543 3.858 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000498221938 1001706082 /nfs/dbraw/zinc/70/60/82/1001706082.db2.gz NNSCDWIGDQVBQK-LAUBAEHRSA-N 1 0 409.555 3.673 20 30 HHEDRO Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083467 1001797299 /nfs/dbraw/zinc/79/72/99/1001797299.db2.gz HOLCASNBBLLIBY-IRLDBZIGSA-N 1 0 419.916 3.881 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000507085510 1001798314 /nfs/dbraw/zinc/79/83/14/1001798314.db2.gz LXDPOHKTBUIYCC-QFIPXVFZSA-N 1 0 403.526 3.875 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)cc1OC ZINC000498376563 1001806878 /nfs/dbraw/zinc/80/68/78/1001806878.db2.gz UTOSNYIHKVXNGK-DOMZBBRYSA-N 1 0 412.246 3.814 20 30 HHEDRO C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498381401 1001811620 /nfs/dbraw/zinc/81/16/20/1001811620.db2.gz BKCDOBCZZONZEM-GOEBONIOSA-N 1 0 402.420 3.612 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507179139 1001866296 /nfs/dbraw/zinc/86/62/96/1001866296.db2.gz JSWTYOWLHKCWLO-HXUWFJFHSA-N 1 0 408.546 3.750 20 30 HHEDRO COc1ccccc1C[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000507219772 1001906407 /nfs/dbraw/zinc/90/64/07/1001906407.db2.gz QLHJWVMHOAZRLJ-DFBJGRDBSA-N 1 0 405.542 3.937 20 30 HHEDRO Cc1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)nn1-c1cccc(C#N)c1 ZINC000507306006 1001986933 /nfs/dbraw/zinc/98/69/33/1001986933.db2.gz SMDIDVMZYYZSQF-UHFFFAOYSA-N 1 0 405.546 3.781 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341705 1002010589 /nfs/dbraw/zinc/01/05/89/1002010589.db2.gz QAGURQDGWMDXGX-SIKLNZKXSA-N 1 0 418.541 3.947 20 30 HHEDRO Cc1c([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(C)cc1 ZINC000507396065 1002047432 /nfs/dbraw/zinc/04/74/32/1002047432.db2.gz BFMLIDSBZHFEDC-VGOFRKELSA-N 1 0 414.513 3.602 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 ZINC000507444253 1002073849 /nfs/dbraw/zinc/07/38/49/1002073849.db2.gz ONOYVQGJKVXIBS-QHCPKHFHSA-N 1 0 422.960 3.961 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000498840338 1002225944 /nfs/dbraw/zinc/22/59/44/1002225944.db2.gz YJUDPPHYKWIOAS-NRFANRHFSA-N 1 0 410.493 3.684 20 30 HHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000507634043 1002236213 /nfs/dbraw/zinc/23/62/13/1002236213.db2.gz DWEUEDCCDHCCDX-RHKCVOJBSA-N 1 0 411.571 3.992 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000498864111 1002249959 /nfs/dbraw/zinc/24/99/59/1002249959.db2.gz IOYKGOUDAKGRNG-FQEVSTJZSA-N 1 0 419.550 3.968 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000498873040 1002259815 /nfs/dbraw/zinc/25/98/15/1002259815.db2.gz CPJLRVUGQUNDQQ-IBGZPJMESA-N 1 0 405.523 3.578 20 30 HHEDRO CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000507687625 1002280383 /nfs/dbraw/zinc/28/03/83/1002280383.db2.gz LPXJXKWGOWUHLU-HXUWFJFHSA-N 1 0 424.589 3.582 20 30 HHEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000507748880 1002324620 /nfs/dbraw/zinc/32/46/20/1002324620.db2.gz CFQRVYASWLHPJN-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCN1CC(F)F ZINC000498928515 1002326209 /nfs/dbraw/zinc/32/62/09/1002326209.db2.gz XWAIFNSRLLRLFL-GJZGRUSLSA-N 1 0 424.561 3.734 20 30 HHEDRO CSc1cc2c(cc1C[NH2+]C1CCC(Oc3ccc(C#N)cn3)CC1)OCCO2 ZINC000507765979 1002332615 /nfs/dbraw/zinc/33/26/15/1002332615.db2.gz JBBVNNBSSSEWDI-UHFFFAOYSA-N 1 0 411.527 3.926 20 30 HHEDRO C=CCOc1ccccc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000507898094 1002432365 /nfs/dbraw/zinc/43/23/65/1002432365.db2.gz WYGHUCFLEPNTOL-UHFFFAOYSA-N 1 0 403.320 3.924 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)ccc1OC ZINC000508094238 1002618445 /nfs/dbraw/zinc/61/84/45/1002618445.db2.gz GIJOXNRHKWAQNI-UHFFFAOYSA-N 1 0 423.557 3.608 20 30 HHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508467170 1002952423 /nfs/dbraw/zinc/95/24/23/1002952423.db2.gz XJIADHFYYDHMBX-NRFANRHFSA-N 1 0 404.562 3.951 20 30 HHEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508478276 1002963084 /nfs/dbraw/zinc/96/30/84/1002963084.db2.gz QEPOVFKNOBWCOZ-UHFFFAOYSA-N 1 0 411.550 3.620 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508487671 1002971244 /nfs/dbraw/zinc/97/12/44/1002971244.db2.gz GSTNUZOIYKFSBY-QZTJIDSGSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000508496829 1002979958 /nfs/dbraw/zinc/97/99/58/1002979958.db2.gz GSHYCGAUBAOUCD-UHFFFAOYSA-N 1 0 409.578 3.882 20 30 HHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508499461 1002982016 /nfs/dbraw/zinc/98/20/16/1002982016.db2.gz ZNBZCMFNHYEICD-SIKLNZKXSA-N 1 0 407.562 3.805 20 30 HHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000508507784 1002989450 /nfs/dbraw/zinc/98/94/50/1002989450.db2.gz UXWAWQCTTAUDOR-AWEZNQCLSA-N 1 0 410.349 3.595 20 30 HHEDRO Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508535769 1003012213 /nfs/dbraw/zinc/01/22/13/1003012213.db2.gz XECUUKNRKMSUKK-UHFFFAOYSA-N 1 0 412.541 3.846 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000508669777 1003109508 /nfs/dbraw/zinc/10/95/08/1003109508.db2.gz JPEDKVKDJJHSDN-ZBWQPJPKSA-N 1 0 410.562 3.681 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508720322 1003160735 /nfs/dbraw/zinc/16/07/35/1003160735.db2.gz XTWZFUURKLATCM-UHFFFAOYSA-N 1 0 402.340 3.568 20 30 HHEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508724212 1003164823 /nfs/dbraw/zinc/16/48/23/1003164823.db2.gz OXXBUAUFEKHICH-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508795214 1003223589 /nfs/dbraw/zinc/22/35/89/1003223589.db2.gz NETLSNLTFXWHKA-NFBKMPQASA-N 1 0 416.573 3.920 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508800260 1003227706 /nfs/dbraw/zinc/22/77/06/1003227706.db2.gz FDHYJEQLLDRZOO-QGZVFWFLSA-N 1 0 403.477 3.797 20 30 HHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508801805 1003229512 /nfs/dbraw/zinc/22/95/12/1003229512.db2.gz NQXBYKLWPJQTKC-UHFFFAOYSA-N 1 0 421.545 3.959 20 30 HHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508815452 1003240307 /nfs/dbraw/zinc/24/03/07/1003240307.db2.gz ASQVYKFUFTYRDM-NRFANRHFSA-N 1 0 404.562 3.951 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508831309 1003252737 /nfs/dbraw/zinc/25/27/37/1003252737.db2.gz BGJCJMKCMDXPSB-MRXNPFEDSA-N 1 0 403.958 3.961 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC000508853294 1003273470 /nfs/dbraw/zinc/27/34/70/1003273470.db2.gz QNXXFLIQXYWPGV-YKSBVNFPSA-N 1 0 419.573 3.780 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000508855609 1003275311 /nfs/dbraw/zinc/27/53/11/1003275311.db2.gz IHNNHQAHLRUMNA-FQEVSTJZSA-N 1 0 408.594 3.931 20 30 HHEDRO C=CCn1c(-c2cccc3ccccc32)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000508864897 1003284998 /nfs/dbraw/zinc/28/49/98/1003284998.db2.gz RCKZNRZHSMHAHC-HXUWFJFHSA-N 1 0 417.557 3.833 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000500003290 1003326634 /nfs/dbraw/zinc/32/66/34/1003326634.db2.gz VBNJDYKZKPJBGH-SFHVURJKSA-N 1 0 420.513 3.779 20 30 HHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508896866 1003327815 /nfs/dbraw/zinc/32/78/15/1003327815.db2.gz VAMZOAKYTJXIQP-OALUTQOASA-N 1 0 413.566 3.748 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508909012 1003350297 /nfs/dbraw/zinc/35/02/97/1003350297.db2.gz XHTSQEPRRBNGNU-ZWKOTPCHSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508912975 1003352570 /nfs/dbraw/zinc/35/25/70/1003352570.db2.gz NRDATNPZVRSDNS-IBGZPJMESA-N 1 0 413.566 3.703 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)c1 ZINC000508915196 1003353961 /nfs/dbraw/zinc/35/39/61/1003353961.db2.gz VIYWLAZTCHIVQF-XMMPIXPASA-N 1 0 419.525 3.967 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508929778 1003374367 /nfs/dbraw/zinc/37/43/67/1003374367.db2.gz BZIPXRINXUNHGN-SFHVURJKSA-N 1 0 413.591 3.830 20 30 HHEDRO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508935696 1003380794 /nfs/dbraw/zinc/38/07/94/1003380794.db2.gz OLIYKPFPTSFIMR-XLIONFOSSA-N 1 0 423.561 3.601 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1Cc1ccccn1 ZINC000508950086 1003406011 /nfs/dbraw/zinc/40/60/11/1003406011.db2.gz MCOKBJYJSMUDBY-UHFFFAOYSA-N 1 0 415.541 3.624 20 30 HHEDRO Cc1cc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1 ZINC000508991642 1003463167 /nfs/dbraw/zinc/46/31/67/1003463167.db2.gz AJPQEQDFCXBZAM-UHFFFAOYSA-N 1 0 413.525 3.789 20 30 HHEDRO C=CCn1c(CC(C)(C)C)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508994775 1003466225 /nfs/dbraw/zinc/46/62/25/1003466225.db2.gz JGESOVNHKFXIRK-KDURUIRLSA-N 1 0 403.615 3.768 20 30 HHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000509009941 1003480419 /nfs/dbraw/zinc/48/04/19/1003480419.db2.gz GDNDKSSETDFWQY-SFTDATJTSA-N 1 0 414.642 3.582 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000509009931 1003480492 /nfs/dbraw/zinc/48/04/92/1003480492.db2.gz CKJBEHGWLJIIRT-HSZRJFAPSA-N 1 0 423.605 3.945 20 30 HHEDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509093953 1003547940 /nfs/dbraw/zinc/54/79/40/1003547940.db2.gz AQFRUWXWWFSTFB-UHFFFAOYSA-N 1 0 419.481 3.812 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1OCCCC#N ZINC000509095928 1003549509 /nfs/dbraw/zinc/54/95/09/1003549509.db2.gz FUZWUIQQBNHVBF-UHFFFAOYSA-N 1 0 404.514 3.962 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)CSCc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000500445057 1003722906 /nfs/dbraw/zinc/72/29/06/1003722906.db2.gz AGFKRAJTVUHCKZ-LJQANCHMSA-N 1 0 423.582 3.808 20 30 HHEDRO N#Cc1csc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000509374705 1003802682 /nfs/dbraw/zinc/80/26/82/1003802682.db2.gz SYILUHHRJOUFCH-CYBMUJFWSA-N 1 0 405.321 3.628 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1 ZINC000509415721 1003844820 /nfs/dbraw/zinc/84/48/20/1003844820.db2.gz GGSHCOCYBAJQFO-QFIPXVFZSA-N 1 0 422.529 3.931 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1)C(C)C ZINC000509462708 1003880530 /nfs/dbraw/zinc/88/05/30/1003880530.db2.gz JWPCZLKLPZGVKL-XMMPIXPASA-N 1 0 404.558 3.940 20 30 HHEDRO COc1cccc(-c2c[nH]cc2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000509464903 1003882889 /nfs/dbraw/zinc/88/28/89/1003882889.db2.gz QXPGMALZVTZMKD-UHFFFAOYSA-N 1 0 414.509 3.910 20 30 HHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCSCc1ccccc1C#N ZINC000500764752 1003943774 /nfs/dbraw/zinc/94/37/74/1003943774.db2.gz WDOMGHNSWPMXIS-UHFFFAOYSA-N 1 0 423.586 3.744 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1OCCCC#N ZINC000509557224 1003943970 /nfs/dbraw/zinc/94/39/70/1003943970.db2.gz MMTOPZWGNOGPMD-IBGZPJMESA-N 1 0 413.562 3.848 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500832098 1003989514 /nfs/dbraw/zinc/98/95/14/1003989514.db2.gz LGQQHVUJTBEUNY-QGZVFWFLSA-N 1 0 415.534 3.691 20 30 HHEDRO C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000500897295 1004036023 /nfs/dbraw/zinc/03/60/23/1004036023.db2.gz XECQZWYPRRAKNW-IWKILKBESA-N 1 0 421.545 3.634 20 30 HHEDRO CC(C)C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH2+][C@@H](C)c1ccccc1 ZINC000500916128 1004050040 /nfs/dbraw/zinc/05/00/40/1004050040.db2.gz FWKUNZOWMZTCCB-UWJYYQICSA-N 1 0 417.550 3.882 20 30 HHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000509786799 1004096278 /nfs/dbraw/zinc/09/62/78/1004096278.db2.gz BTSOYHGCRJAAQU-GOSISDBHSA-N 1 0 416.591 3.744 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000509809327 1004115222 /nfs/dbraw/zinc/11/52/22/1004115222.db2.gz UJXPAQWFPMUBTG-UEXGIBASSA-N 1 0 412.553 3.778 20 30 HHEDRO Cc1sc(NC(=O)CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512236297 1004137084 /nfs/dbraw/zinc/13/70/84/1004137084.db2.gz GLNDXBAEMYNZEG-QHCPKHFHSA-N 1 0 408.571 3.773 20 30 HHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512285411 1004188118 /nfs/dbraw/zinc/18/81/18/1004188118.db2.gz IBRVMSHGEZSOHG-HOYKHHGWSA-N 1 0 406.530 3.693 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC000512301677 1004203260 /nfs/dbraw/zinc/20/32/60/1004203260.db2.gz VDHDYLBXWURETB-QHCPKHFHSA-N 1 0 412.553 3.729 20 30 HHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)ccn1 ZINC000512302801 1004204004 /nfs/dbraw/zinc/20/40/04/1004204004.db2.gz NTTSRCFYPRBQPE-UHFFFAOYSA-N 1 0 402.454 3.938 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)CC(C)C ZINC000512311331 1004208681 /nfs/dbraw/zinc/20/86/81/1004208681.db2.gz ZKVLNZWMMAFFME-FQEVSTJZSA-N 1 0 402.558 3.786 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510099394 1004323093 /nfs/dbraw/zinc/32/30/93/1004323093.db2.gz OLTYBZMKNKGTEW-DYESRHJHSA-N 1 0 420.557 3.625 20 30 HHEDRO COc1cc(C#N)ccc1CN1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC000501291604 1004335627 /nfs/dbraw/zinc/33/56/27/1004335627.db2.gz NLXONRGWYCNSAT-HSZRJFAPSA-N 1 0 418.541 3.934 20 30 HHEDRO N#C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1Cc1ccccc1 ZINC000510156038 1004363194 /nfs/dbraw/zinc/36/31/94/1004363194.db2.gz IANXWUHOKLQBRP-XMMPIXPASA-N 1 0 402.542 3.523 20 30 HHEDRO C[NH+](C)CCCOc1cccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000512677552 1004486305 /nfs/dbraw/zinc/48/63/05/1004486305.db2.gz KIACHZATZWHIOZ-UHFFFAOYSA-N 1 0 424.520 3.883 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)CC2)c1 ZINC000512688479 1004494856 /nfs/dbraw/zinc/49/48/56/1004494856.db2.gz AFAURVYFDNQDIM-UHFFFAOYSA-N 1 0 401.551 3.597 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000510401075 1004539132 /nfs/dbraw/zinc/53/91/32/1004539132.db2.gz GKXOEUVIJACRMJ-NRFANRHFSA-N 1 0 417.513 3.629 20 30 HHEDRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC000512812721 1004574982 /nfs/dbraw/zinc/57/49/82/1004574982.db2.gz YERVNVGRQCKCIR-HXUWFJFHSA-N 1 0 412.505 3.906 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC2)c1 ZINC000510483549 1004600702 /nfs/dbraw/zinc/60/07/02/1004600702.db2.gz BBAYADYJBDIVPJ-UHFFFAOYSA-N 1 0 419.525 3.507 20 30 HHEDRO CC(C)(C)c1ccc(Oc2ccc(C[NH2+]CCn3cnc(C#N)n3)cc2[N+](=O)[O-])cc1 ZINC000512857353 1004619296 /nfs/dbraw/zinc/61/92/96/1004619296.db2.gz RCCGVNYNBKLWTK-UHFFFAOYSA-N 1 0 420.473 3.938 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(Br)c(F)c1 ZINC000501849780 1004774731 /nfs/dbraw/zinc/77/47/31/1004774731.db2.gz OKHHZHZCMHRXGF-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510649828 1004778590 /nfs/dbraw/zinc/77/85/90/1004778590.db2.gz YENQVCNQMSEWLO-QFIPXVFZSA-N 1 0 421.541 3.549 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000510650335 1004779019 /nfs/dbraw/zinc/77/90/19/1004779019.db2.gz ZPMMAUFIUHTJBH-UHFFFAOYSA-N 1 0 421.545 3.890 20 30 HHEDRO CCn1ccnc1[C@H]([NH2+]CCCCC#N)c1ccc(I)cc1 ZINC000501960620 1004831841 /nfs/dbraw/zinc/83/18/41/1004831841.db2.gz XHJZPUFSOFEEJP-MRXNPFEDSA-N 1 0 408.287 3.880 20 30 HHEDRO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177781 1004941005 /nfs/dbraw/zinc/94/10/05/1004941005.db2.gz QZZBORNLCZHIDP-QZTJIDSGSA-N 1 0 416.525 3.575 20 30 HHEDRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000510952326 1004951285 /nfs/dbraw/zinc/95/12/85/1004951285.db2.gz NNAZSYPATJROJI-UHFFFAOYSA-N 1 0 424.476 3.604 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000513442804 1004968530 /nfs/dbraw/zinc/96/85/30/1004968530.db2.gz KDRVNZMMHSHTDP-DSGZEHTMSA-N 1 0 406.954 3.717 20 30 HHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000502290142 1004996196 /nfs/dbraw/zinc/99/61/96/1004996196.db2.gz FOMAIQPRXFDUDJ-HSZRJFAPSA-N 1 0 414.553 3.922 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000513557259 1005021619 /nfs/dbraw/zinc/02/16/19/1005021619.db2.gz STVQYYOCCSWJIE-UHFFFAOYSA-N 1 0 418.541 3.891 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C#N ZINC000513575109 1005031333 /nfs/dbraw/zinc/03/13/33/1005031333.db2.gz UJHMUXVHCXEIAC-SFHVURJKSA-N 1 0 406.555 3.947 20 30 HHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502359557 1005034310 /nfs/dbraw/zinc/03/43/10/1005034310.db2.gz IGQQECYLEYWAMV-LJQANCHMSA-N 1 0 415.497 3.922 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000502408699 1005062878 /nfs/dbraw/zinc/06/28/78/1005062878.db2.gz PTLMJDLKQIQGGM-UHFFFAOYSA-N 1 0 419.573 3.692 20 30 HHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000513667563 1005074703 /nfs/dbraw/zinc/07/47/03/1005074703.db2.gz SAADTBOOWGREPG-CLJLJLNGSA-N 1 0 418.585 3.796 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3ccc(Br)cc3)CC2)cc1 ZINC000513685304 1005082075 /nfs/dbraw/zinc/08/20/75/1005082075.db2.gz YNNGDNRFQSIKDB-UHFFFAOYSA-N 1 0 400.320 3.958 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)c1 ZINC000511241861 1005087484 /nfs/dbraw/zinc/08/74/84/1005087484.db2.gz QRWRGTNEQBEOTF-UHFFFAOYSA-N 1 0 415.497 3.556 20 30 HHEDRO Cc1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000513705153 1005089772 /nfs/dbraw/zinc/08/97/72/1005089772.db2.gz OBSXWNMBOFTTOG-LAUBAEHRSA-N 1 0 406.534 3.795 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000511255294 1005094539 /nfs/dbraw/zinc/09/45/39/1005094539.db2.gz WNYIJQNWPJDZOO-CQSZACIVSA-N 1 0 410.331 3.936 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000502520924 1005099994 /nfs/dbraw/zinc/09/99/94/1005099994.db2.gz RGOUISYYLYZJTR-HSZRJFAPSA-N 1 0 401.514 3.865 20 30 HHEDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529531 1005104721 /nfs/dbraw/zinc/10/47/21/1005104721.db2.gz OIYMSIXZNFVJKD-UHFFFAOYSA-N 1 0 406.442 3.593 20 30 HHEDRO C[C@@H](NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(C#N)cc1 ZINC000502618015 1005143714 /nfs/dbraw/zinc/14/37/14/1005143714.db2.gz QSZUEYZMZQDJQC-RTBURBONSA-N 1 0 406.530 3.818 20 30 HHEDRO COc1ccccc1[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCCC1 ZINC000514085427 1005258837 /nfs/dbraw/zinc/25/88/37/1005258837.db2.gz VWXAHHDIQGGBEB-DEOSSOPVSA-N 1 0 404.558 3.962 20 30 HHEDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)cc1OCCCC#N ZINC000514103812 1005266779 /nfs/dbraw/zinc/26/67/79/1005266779.db2.gz FBGIAHLXLBBSKV-UHFFFAOYSA-N 1 0 411.502 3.674 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000511685891 1005276032 /nfs/dbraw/zinc/27/60/32/1005276032.db2.gz IXOJMHRXSZAEIA-SJLPKXTDSA-N 1 0 424.932 3.567 20 30 HHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000502964228 1005294574 /nfs/dbraw/zinc/29/45/74/1005294574.db2.gz CZRZLNMNBREPOE-UHFFFAOYSA-N 1 0 401.514 3.824 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(OC)c1 ZINC000511757991 1005309952 /nfs/dbraw/zinc/30/99/52/1005309952.db2.gz QGBLNWXBHAAVIJ-JLLPCOHGSA-N 1 0 423.553 3.668 20 30 HHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511773700 1005319287 /nfs/dbraw/zinc/31/92/87/1005319287.db2.gz CUTACUQPPFCOMX-SBHAEUEKSA-N 1 0 407.539 3.745 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c(-c2ccccc2)n1 ZINC000514308306 1005335350 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BZQKKKYWOLLDPX-ZWKOTPCHSA-N 1 0 420.513 3.526 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000516305821 1007006197 /nfs/dbraw/zinc/00/61/97/1007006197.db2.gz YHBYRMJFHMRMET-LJQANCHMSA-N 1 0 421.541 3.881 20 30 HHEDRO Cc1cccnc1[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000532707888 1007121865 /nfs/dbraw/zinc/12/18/65/1007121865.db2.gz CFTPOCJOFYWOIO-HXUWFJFHSA-N 1 0 403.448 3.863 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000532858743 1007247116 /nfs/dbraw/zinc/24/71/16/1007247116.db2.gz IIAAQNFRORIMQU-SFHVURJKSA-N 1 0 416.472 3.789 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000516737679 1007266095 /nfs/dbraw/zinc/26/60/95/1007266095.db2.gz UQOAQLXTXVIUOW-UHFFFAOYSA-N 1 0 420.513 3.671 20 30 HHEDRO CCOC(=O)C1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000532913560 1007286608 /nfs/dbraw/zinc/28/66/08/1007286608.db2.gz ZNGHANTWUFVESU-UHFFFAOYSA-N 1 0 408.498 3.921 20 30 HHEDRO 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C[C@@H]([N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)C ZINC000533250282 1007568211 /nfs/dbraw/zinc/56/82/11/1007568211.db2.gz QESAGRUOFXPFIC-SJORKVTESA-N 1 0 400.567 3.722 20 30 HHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000539276968 1007571182 /nfs/dbraw/zinc/57/11/82/1007571182.db2.gz SEEIURSXXBKFSD-JXFKEZNVSA-N 1 0 411.477 3.973 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000517340801 1007579548 /nfs/dbraw/zinc/57/95/48/1007579548.db2.gz CAZKMLOCVBRWHI-UHFFFAOYSA-N 1 0 400.350 3.538 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(CCc3cc(OC)cc(OC)c3)CC2)CC1 ZINC000517341588 1007580848 /nfs/dbraw/zinc/58/08/48/1007580848.db2.gz RILANQTTYBNWJW-UHFFFAOYSA-N 1 0 415.578 3.708 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539289114 1007586402 /nfs/dbraw/zinc/58/64/02/1007586402.db2.gz QHMRPDXVJWQJCV-LSDHHAIUSA-N 1 0 405.527 3.972 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000533288396 1007600035 /nfs/dbraw/zinc/60/00/35/1007600035.db2.gz GAAQBKYSSNGATA-DLBZAZTESA-N 1 0 400.592 3.633 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000539359229 1007659935 /nfs/dbraw/zinc/65/99/35/1007659935.db2.gz IFACWRVCOWYSBA-JOCHJYFZSA-N 1 0 406.530 3.660 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+](CC2CC2)C2CCCCC2)CC1 ZINC000539362143 1007664546 /nfs/dbraw/zinc/66/45/46/1007664546.db2.gz MSZUDKZYABJYMJ-FQEVSTJZSA-N 1 0 400.592 3.502 20 30 HHEDRO CN(CCC#N)C(=O)CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000535666184 1007684059 /nfs/dbraw/zinc/68/40/59/1007684059.db2.gz PYZHTKCPEIDQSH-UHFFFAOYSA-N 1 0 401.514 3.733 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000517468078 1007693728 /nfs/dbraw/zinc/69/37/28/1007693728.db2.gz HWHATFWUIOIIKX-IRXDYDNUSA-N 1 0 416.591 3.504 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535675378 1007699341 /nfs/dbraw/zinc/69/93/41/1007699341.db2.gz LLYNFFPTAHNFPO-HRAATJIYSA-N 1 0 401.869 3.539 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535675602 1007700663 /nfs/dbraw/zinc/70/06/63/1007700663.db2.gz LXNXMUOMWOADSM-XXHMAFKTSA-N 1 0 415.896 3.927 20 30 HHEDRO CCCNC(=O)C1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533419784 1007730304 /nfs/dbraw/zinc/73/03/04/1007730304.db2.gz QHSUXJQQJAVKGG-UHFFFAOYSA-N 1 0 421.541 3.884 20 30 HHEDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OCc3cccc(C#N)c3)c(OC)c1)CC2 ZINC000533434674 1007748147 /nfs/dbraw/zinc/74/81/47/1007748147.db2.gz LXBHOVAMRHVJLU-OAQYLSRUSA-N 1 0 420.509 3.921 20 30 HHEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000539454660 1007765561 /nfs/dbraw/zinc/76/55/61/1007765561.db2.gz NLBXJBCCXJFSSJ-TZIWHRDSSA-N 1 0 410.587 3.767 20 30 HHEDRO 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COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1-c1ccccn1 ZINC000533641309 1007948001 /nfs/dbraw/zinc/94/80/01/1007948001.db2.gz DENIJSPZIDVKFZ-UHFFFAOYSA-N 1 0 414.509 3.833 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000517853106 1008013614 /nfs/dbraw/zinc/01/36/14/1008013614.db2.gz LUKBZKNRLSVHFP-MSOLQXFVSA-N 1 0 420.513 3.668 20 30 HHEDRO COCc1cccc2sc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)nc21 ZINC000517905218 1008048587 /nfs/dbraw/zinc/04/85/87/1008048587.db2.gz ZVYJQXVJLJDQTJ-UHFFFAOYSA-N 1 0 423.542 3.910 20 30 HHEDRO C=CCCOCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000536035258 1008068619 /nfs/dbraw/zinc/06/86/19/1008068619.db2.gz LGZSTQQGXWKWTA-MJGOQNOKSA-N 1 0 413.484 3.980 20 30 HHEDRO Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000533783208 1008105963 /nfs/dbraw/zinc/10/59/63/1008105963.db2.gz HXTNHFXOQZQYBC-UHFFFAOYSA-N 1 0 407.440 3.712 20 30 HHEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831542 1008125265 /nfs/dbraw/zinc/12/52/65/1008125265.db2.gz AVLXICKZSKWGRF-KRWDZBQOSA-N 1 0 415.501 3.810 20 30 HHEDRO C=CCc1cc(C[N@H+](CC=C)[C@@H](C)c2cccc(-n3cnnn3)c2)cc(OC)c1O ZINC000539832781 1008126194 /nfs/dbraw/zinc/12/61/94/1008126194.db2.gz ZOBNIQFKOVAMNE-KRWDZBQOSA-N 1 0 405.502 3.854 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000518105553 1008161967 /nfs/dbraw/zinc/16/19/67/1008161967.db2.gz CJDIUIOQRGEGGW-UHFFFAOYSA-N 1 0 410.562 3.679 20 30 HHEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)sc1Br ZINC000533900374 1008192834 /nfs/dbraw/zinc/19/28/34/1008192834.db2.gz HJBOGMNXPRTNOA-UHFFFAOYSA-N 1 0 422.348 3.595 20 30 HHEDRO C=C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000533963367 1008236514 /nfs/dbraw/zinc/23/65/14/1008236514.db2.gz NWOZHKDYYVUUPP-HXUWFJFHSA-N 1 0 405.542 3.725 20 30 HHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000540053131 1008260729 /nfs/dbraw/zinc/26/07/29/1008260729.db2.gz SJXAMIFNQUHFJC-GOSISDBHSA-N 1 0 401.555 3.524 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054516 1008261996 /nfs/dbraw/zinc/26/19/96/1008261996.db2.gz VBZHLCYQVGBOLF-CQSZACIVSA-N 1 0 410.421 3.515 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1C#N ZINC000518355773 1008274500 /nfs/dbraw/zinc/27/45/00/1008274500.db2.gz BIMBJCJNHSNUIS-UHFFFAOYSA-N 1 0 420.542 3.849 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[NH+]1CCCC1 ZINC000518462961 1008317895 /nfs/dbraw/zinc/31/78/95/1008317895.db2.gz DWTMIOOPXFCZRH-UZLBHIALSA-N 1 0 424.932 3.534 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000540181815 1008325908 /nfs/dbraw/zinc/32/59/08/1008325908.db2.gz ZRWJSOVGFQARNC-YLZJTPGZSA-N 1 0 413.543 3.971 20 30 HHEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCCC1 ZINC000518567055 1008348484 /nfs/dbraw/zinc/34/84/84/1008348484.db2.gz SJKGLTJKDICWHW-OAQYLSRUSA-N 1 0 420.513 3.526 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)ccc1OC ZINC000518747423 1008412498 /nfs/dbraw/zinc/41/24/98/1008412498.db2.gz GRYNBQBEXIDXOM-FQEVSTJZSA-N 1 0 415.603 3.790 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000518750145 1008413550 /nfs/dbraw/zinc/41/35/50/1008413550.db2.gz HCDVOQWBLGXLNC-SFHVURJKSA-N 1 0 424.570 3.610 20 30 HHEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000518750094 1008413576 /nfs/dbraw/zinc/41/35/76/1008413576.db2.gz FPQBEXMGPDTTFL-KRWDZBQOSA-N 1 0 416.591 3.600 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-n2ccnn2)cc1 ZINC000540431053 1008430512 /nfs/dbraw/zinc/43/05/12/1008430512.db2.gz WDJFQKRINBSDIM-OAHLLOKOSA-N 1 0 420.542 3.759 20 30 HHEDRO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000540511959 1008462371 /nfs/dbraw/zinc/46/23/71/1008462371.db2.gz FQQAWEIDDFWNRG-XLIONFOSSA-N 1 0 414.550 3.679 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548948295 1008533832 /nfs/dbraw/zinc/53/38/32/1008533832.db2.gz DRYXTLAMEXDIPT-UHFFFAOYSA-N 1 0 401.530 3.739 20 30 HHEDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542977399 1008552157 /nfs/dbraw/zinc/55/21/57/1008552157.db2.gz FQCUOCQQLPRORF-SFHVURJKSA-N 1 0 406.530 3.696 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000519171511 1008575320 /nfs/dbraw/zinc/57/53/20/1008575320.db2.gz OMGARRVVCPMHTA-UHFFFAOYSA-N 1 0 418.541 3.907 20 30 HHEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000543075633 1008653142 /nfs/dbraw/zinc/65/31/42/1008653142.db2.gz HQPXAAWXILFWHS-XRTORIHISA-N 1 0 423.473 3.558 20 30 HHEDRO CC(C)COc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000543092427 1008668809 /nfs/dbraw/zinc/66/88/09/1008668809.db2.gz CKAJZJRQYXXEFZ-UHFFFAOYSA-N 1 0 414.937 3.845 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000519271130 1008679346 /nfs/dbraw/zinc/67/93/46/1008679346.db2.gz WTAIHMXPJVPTJO-HXUWFJFHSA-N 1 0 405.970 3.641 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CC1 ZINC000519286597 1008697864 /nfs/dbraw/zinc/69/78/64/1008697864.db2.gz DWODJQOXORJRCJ-UHFFFAOYSA-N 1 0 413.562 3.957 20 30 HHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549270455 1008839254 /nfs/dbraw/zinc/83/92/54/1008839254.db2.gz ABJOUMOYDPYDPU-JOCHJYFZSA-N 1 0 407.562 3.985 20 30 HHEDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCCCC1 ZINC000543283888 1008859069 /nfs/dbraw/zinc/85/90/69/1008859069.db2.gz OMIDPIQZSKYWAL-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000549303300 1008879095 /nfs/dbraw/zinc/87/90/95/1008879095.db2.gz QLJHRSJASQQVQN-FDFHNCONSA-N 1 0 409.578 3.876 20 30 HHEDRO C=C(C)[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000519666481 1008950468 /nfs/dbraw/zinc/95/04/68/1008950468.db2.gz VEKAAMKLGGWEPR-NRFANRHFSA-N 1 0 418.488 3.807 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000549405424 1008993138 /nfs/dbraw/zinc/99/31/38/1008993138.db2.gz PKUDAPPXAGZRHI-UZUQRXQVSA-N 1 0 407.489 3.903 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000549408620 1008996449 /nfs/dbraw/zinc/99/64/49/1008996449.db2.gz PRPMTGQIMIWNJG-HXOBKFHXSA-N 1 0 407.489 3.903 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2=O)cc1 ZINC000519774589 1009000496 /nfs/dbraw/zinc/00/04/96/1009000496.db2.gz NTWPJHCZYMOUFB-WIYYLYMNSA-N 1 0 424.342 3.569 20 30 HHEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000549416203 1009003828 /nfs/dbraw/zinc/00/38/28/1009003828.db2.gz RUBSHRRAIQNTRJ-ALOPSCKCSA-N 1 0 423.586 3.971 20 30 HHEDRO Cc1cc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(C)s1 ZINC000543460068 1009044527 /nfs/dbraw/zinc/04/45/27/1009044527.db2.gz HGOKVCIQUJPPER-KKSFZXQISA-N 1 0 414.550 3.564 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)CC3(C#N)CCCC3)cc2)C1 ZINC000546091631 1009116878 /nfs/dbraw/zinc/11/68/78/1009116878.db2.gz CWPFKXRHJYARNK-KDURUIRLSA-N 1 0 403.592 3.668 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000549658628 1009287132 /nfs/dbraw/zinc/28/71/32/1009287132.db2.gz ZFPBXBLTRRWBKQ-SFTDATJTSA-N 1 0 408.594 3.516 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000549658623 1009287428 /nfs/dbraw/zinc/28/74/28/1009287428.db2.gz ZFPBXBLTRRWBKQ-NHCUHLMSSA-N 1 0 408.594 3.516 20 30 HHEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549665538 1009295557 /nfs/dbraw/zinc/29/55/57/1009295557.db2.gz PCILNVNOCZXGOP-WOJBJXKFSA-N 1 0 415.626 3.913 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000549670198 1009300925 /nfs/dbraw/zinc/30/09/25/1009300925.db2.gz XTDYMKZUDZCTSL-UHFFFAOYSA-N 1 0 423.586 3.956 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549688977 1009318268 /nfs/dbraw/zinc/31/82/68/1009318268.db2.gz TZMMDDYIOBBFOM-DENIHFKCSA-N 1 0 423.561 3.679 20 30 HHEDRO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000549693090 1009322976 /nfs/dbraw/zinc/32/29/76/1009322976.db2.gz HAFSLUAADYKUOX-OAQYLSRUSA-N 1 0 401.599 3.526 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194935 1009334864 /nfs/dbraw/zinc/33/48/64/1009334864.db2.gz MELLGQZHASOPBP-INIZCTEOSA-N 1 0 410.909 3.894 20 30 HHEDRO Cc1nn(-c2ccccc2)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000543766021 1009337507 /nfs/dbraw/zinc/33/75/07/1009337507.db2.gz TWVKUQDBYHGEIU-UHFFFAOYSA-N 1 0 402.502 3.648 20 30 HHEDRO CC(C)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)no1 ZINC000543770863 1009340055 /nfs/dbraw/zinc/34/00/55/1009340055.db2.gz MDHPZSRCDUDEKM-QFIPXVFZSA-N 1 0 416.529 3.955 20 30 HHEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870692 1009438760 /nfs/dbraw/zinc/43/87/60/1009438760.db2.gz JLGDVFLXJPLMEG-SFHVURJKSA-N 1 0 405.523 3.854 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCCC[C@@H]1C ZINC000543886930 1009462723 /nfs/dbraw/zinc/46/27/23/1009462723.db2.gz WICZXADROYXGJL-LSDHHAIUSA-N 1 0 400.914 3.782 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NCC[N@@H+]3CCc4ccccc4C3)n2)c(Cl)c1 ZINC000543888150 1009466347 /nfs/dbraw/zinc/46/63/47/1009466347.db2.gz ZXXZRIUMWWTWOX-UHFFFAOYSA-N 1 0 420.904 3.577 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000520436496 1009550561 /nfs/dbraw/zinc/55/05/61/1009550561.db2.gz KIFLXGWXQFVUFB-WOJBJXKFSA-N 1 0 411.594 3.536 20 30 HHEDRO CCOc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(Cl)c1O ZINC000546584787 1009609839 /nfs/dbraw/zinc/60/98/39/1009609839.db2.gz YNBXYJUSXOBCDU-UHFFFAOYSA-N 1 0 401.894 3.520 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C1 ZINC000550037140 1009633295 /nfs/dbraw/zinc/63/32/95/1009633295.db2.gz MXFVTVFYYNASKD-UNMCSNQZSA-N 1 0 422.577 3.554 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@H]1CC=CCC1 ZINC000544106513 1009716883 /nfs/dbraw/zinc/71/68/83/1009716883.db2.gz OGXYTXRBFOAYOZ-RBUKOAKNSA-N 1 0 410.562 3.644 20 30 HHEDRO COc1cc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1C#N ZINC000520673793 1009744454 /nfs/dbraw/zinc/74/44/54/1009744454.db2.gz PVVRHFQTHXVISJ-LJQANCHMSA-N 1 0 417.431 3.866 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000520744499 1009813842 /nfs/dbraw/zinc/81/38/42/1009813842.db2.gz HGCOMZJZSIJVHI-UHFFFAOYSA-N 1 0 403.486 3.582 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000544309996 1009933189 /nfs/dbraw/zinc/93/31/89/1009933189.db2.gz RNAFRJWPLAWRDK-NQIIRXRSSA-N 1 0 422.529 3.616 20 30 HHEDRO CC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000544391628 1010013349 /nfs/dbraw/zinc/01/33/49/1010013349.db2.gz NTRNPLYBTNHTDY-XMMPIXPASA-N 1 0 416.569 3.525 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000550554314 1010022157 /nfs/dbraw/zinc/02/21/57/1010022157.db2.gz POQLLFUQUVOECP-HSZRJFAPSA-N 1 0 423.532 3.730 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550678688 1010096942 /nfs/dbraw/zinc/09/69/42/1010096942.db2.gz OWYYYIYXJMQKJX-KNMUDHKVSA-N 1 0 418.875 3.852 20 30 HHEDRO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000521128090 1010151643 /nfs/dbraw/zinc/15/16/43/1010151643.db2.gz PXJLAXJZROAVCB-QGZVFWFLSA-N 1 0 402.464 3.877 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000547293147 1010238673 /nfs/dbraw/zinc/23/86/73/1010238673.db2.gz OWUVZQIPGZMLTH-HXUWFJFHSA-N 1 0 413.315 3.850 20 30 HHEDRO COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000547415504 1010294378 /nfs/dbraw/zinc/29/43/78/1010294378.db2.gz FHKLVPVRPYCZRT-QGZVFWFLSA-N 1 0 418.419 3.982 20 30 HHEDRO C=CCCCCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000521514277 1010428933 /nfs/dbraw/zinc/42/89/33/1010428933.db2.gz QSKPVAKKOAUPSJ-KRIYCRJKSA-N 1 0 417.981 3.843 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000521573527 1010473223 /nfs/dbraw/zinc/47/32/23/1010473223.db2.gz ATBNRLZJNYSOOF-UHFFFAOYSA-N 1 0 406.939 3.639 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3cc(OCC)c(OCC)cc3C2)CC1 ZINC000521584297 1010481491 /nfs/dbraw/zinc/48/14/91/1010481491.db2.gz IUVRLRYBTPCTKA-UHFFFAOYSA-N 1 0 401.551 3.592 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521740438 1010585248 /nfs/dbraw/zinc/58/52/48/1010585248.db2.gz ZNRMDMFFWMVZFG-PKOBYXMFSA-N 1 0 422.554 3.583 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000521787739 1010618628 /nfs/dbraw/zinc/61/86/28/1010618628.db2.gz PKLRBIXULCPUBA-UHFFFAOYSA-N 1 0 408.546 3.866 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)ccc1OC ZINC000521832876 1010645534 /nfs/dbraw/zinc/64/55/34/1010645534.db2.gz KXILFXFUAFWEAD-HSZRJFAPSA-N 1 0 409.574 3.728 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1 ZINC000551588548 1010680816 /nfs/dbraw/zinc/68/08/16/1010680816.db2.gz UBAZBQBHGVKMFN-DEOSSOPVSA-N 1 0 405.498 3.766 20 30 HHEDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000545247259 1010702297 /nfs/dbraw/zinc/70/22/97/1010702297.db2.gz HXCVTLOCDWMPGF-HNNXBMFYSA-N 1 0 400.400 3.721 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(C#N)cc1 ZINC000548931249 1010765993 /nfs/dbraw/zinc/76/59/93/1010765993.db2.gz RLINKLNJQOZOBP-INIZCTEOSA-N 1 0 416.447 3.576 20 30 HHEDRO C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000548937949 1010770436 /nfs/dbraw/zinc/77/04/36/1010770436.db2.gz WGESOMSZEZGAHS-UHFFFAOYSA-N 1 0 417.557 3.833 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000522078695 1010796023 /nfs/dbraw/zinc/79/60/23/1010796023.db2.gz OJFOKQMSLSTFFF-RVEPMOMFSA-N 1 0 412.578 3.915 20 30 HHEDRO C[C@@H](Nc1cccc(OCCCC#N)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000522278275 1010901521 /nfs/dbraw/zinc/90/15/21/1010901521.db2.gz SBYNMWWOFMLUKG-HXUWFJFHSA-N 1 0 420.557 3.950 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(N4CCSCC4)CCCCC3)CC2)cc1 ZINC000540594958 1011251247 /nfs/dbraw/zinc/25/12/47/1011251247.db2.gz LDFVGAOSSYPFFW-UHFFFAOYSA-N 1 0 412.647 3.864 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC000522837887 1011275021 /nfs/dbraw/zinc/27/50/21/1011275021.db2.gz OCLZOHMNZOZAKE-UHFFFAOYSA-N 1 0 421.545 3.633 20 30 HHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000522842412 1011279721 /nfs/dbraw/zinc/27/97/21/1011279721.db2.gz VFTPJVVVVXQGBZ-QFIPXVFZSA-N 1 0 408.502 3.925 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536184812 1011321389 /nfs/dbraw/zinc/32/13/89/1011321389.db2.gz FMEYJBQWLNAAMP-LKUPVBHCSA-N 1 0 422.554 3.581 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)c(-c2ccccc2)n1 ZINC000540715474 1011366184 /nfs/dbraw/zinc/36/61/84/1011366184.db2.gz NYWRBVIWIFJHMI-LJQANCHMSA-N 1 0 421.932 3.551 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826431 1011490397 /nfs/dbraw/zinc/49/03/97/1011490397.db2.gz GEJYZALNKXEBRC-JOCHJYFZSA-N 1 0 424.520 3.934 20 30 HHEDRO CN(CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1cc[nH+]cc1 ZINC000540927021 1011590029 /nfs/dbraw/zinc/59/00/29/1011590029.db2.gz WMQBTHHQMAAQDM-UHFFFAOYSA-N 1 0 410.528 3.562 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000540981647 1011616788 /nfs/dbraw/zinc/61/67/88/1011616788.db2.gz MZFGEZQHINOATC-OAQYLSRUSA-N 1 0 418.476 3.842 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)NCC3([NH+]4CCCC4)CCOCC3)c2)cc1 ZINC000523152096 1011630440 /nfs/dbraw/zinc/63/04/40/1011630440.db2.gz PSYQCPUBUDSZSE-UHFFFAOYSA-N 1 0 404.514 3.677 20 30 HHEDRO COc1cc2c(cc1C[NH+]1CCC(C(=O)Nc3cccc(C#N)c3)CC1)O[C@@H](C)C2 ZINC000536653484 1011801749 /nfs/dbraw/zinc/80/17/49/1011801749.db2.gz ZGVZGIYFHWUOPS-INIZCTEOSA-N 1 0 405.498 3.741 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000541201803 1011871198 /nfs/dbraw/zinc/87/11/98/1011871198.db2.gz CDZIOQUWYIMAPT-HXUWFJFHSA-N 1 0 423.561 3.719 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1 ZINC000536712280 1011885008 /nfs/dbraw/zinc/88/50/08/1011885008.db2.gz QZJISLGZVLAPKJ-UHFFFAOYSA-N 1 0 417.513 3.599 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc(OC)c1OC ZINC000523430720 1011920274 /nfs/dbraw/zinc/92/02/74/1011920274.db2.gz IOKYWESRDAQVDJ-UHFFFAOYSA-N 1 0 401.551 3.592 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000551773351 1011934191 /nfs/dbraw/zinc/93/41/91/1011934191.db2.gz YPNLZMOSCUMVFP-SFHVURJKSA-N 1 0 416.525 3.534 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CC1 ZINC000536764965 1011965384 /nfs/dbraw/zinc/96/53/84/1011965384.db2.gz YNCSHRVXSHHBFL-UHFFFAOYSA-N 1 0 402.589 3.898 20 30 HHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000552040774 1012061337 /nfs/dbraw/zinc/06/13/37/1012061337.db2.gz WZINQKYDBBZZQU-HSZRJFAPSA-N 1 0 420.557 3.735 20 30 HHEDRO Cc1nc(CN2CCC(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CC2)oc1C ZINC000552044849 1012063988 /nfs/dbraw/zinc/06/39/88/1012063988.db2.gz PUMRDMHRSWFCKK-UHFFFAOYSA-N 1 0 407.562 3.634 20 30 HHEDRO CN1CCO[C@H]([C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)C1 ZINC000552062334 1012080795 /nfs/dbraw/zinc/08/07/95/1012080795.db2.gz URKJVTOIRRXZQF-ZEQRLZLVSA-N 1 0 424.976 3.842 20 30 HHEDRO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000552191689 1012204338 /nfs/dbraw/zinc/20/43/38/1012204338.db2.gz OOPQMTLAOFFYCI-FDDCHVKYSA-N 1 0 402.546 3.642 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(C(=O)c4ccccc4F)CC3)CC2)cc1 ZINC000552225579 1012238430 /nfs/dbraw/zinc/23/84/30/1012238430.db2.gz JCVZGFVFSQPZLP-UHFFFAOYSA-N 1 0 406.505 3.561 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536942840 1012239475 /nfs/dbraw/zinc/23/94/75/1012239475.db2.gz XBUVUSLTBZHVGZ-PMACEKPBSA-N 1 0 408.949 3.564 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC000523760143 1012387563 /nfs/dbraw/zinc/38/75/63/1012387563.db2.gz FARWPBWEUBBOQW-UHFFFAOYSA-N 1 0 412.578 3.528 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(c3cccc(F)c3)CC2)c1C#N ZINC000537087539 1012442215 /nfs/dbraw/zinc/44/22/15/1012442215.db2.gz XHJGPBBXDQFBRE-UHFFFAOYSA-N 1 0 406.461 3.974 20 30 HHEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537092844 1012452262 /nfs/dbraw/zinc/45/22/62/1012452262.db2.gz KEORPUMNGFBPTQ-QGZVFWFLSA-N 1 0 413.481 3.885 20 30 HHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)ccc2NC1=O ZINC000537157326 1012553631 /nfs/dbraw/zinc/55/36/31/1012553631.db2.gz AAHVYLXOBHEIBS-VBHSOAQHSA-N 1 0 410.474 3.555 20 30 HHEDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000537173073 1012578593 /nfs/dbraw/zinc/57/85/93/1012578593.db2.gz ZWGKAQHTJJVDQB-ISKFKSNPSA-N 1 0 408.521 3.521 20 30 HHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)c1 ZINC000552586110 1012592132 /nfs/dbraw/zinc/59/21/32/1012592132.db2.gz XYLGXWIXWHEDCY-UHFFFAOYSA-N 1 0 404.514 3.589 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000523898321 1012606285 /nfs/dbraw/zinc/60/62/85/1012606285.db2.gz CSFFGOYMIFKURY-GOSISDBHSA-N 1 0 418.541 3.768 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000537247800 1012692924 /nfs/dbraw/zinc/69/29/24/1012692924.db2.gz HCDGIMXPDBDAMT-VXKWHMMOSA-N 1 0 420.582 3.609 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)C2)c(F)c1 ZINC000552707794 1012719065 /nfs/dbraw/zinc/71/90/65/1012719065.db2.gz RZLFQRHSIIIGLZ-XLIONFOSSA-N 1 0 412.534 3.538 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000537289584 1012746622 /nfs/dbraw/zinc/74/66/22/1012746622.db2.gz IAZIPMRYDRRBEU-RBUKOAKNSA-N 1 0 416.978 3.851 20 30 HHEDRO COc1cccc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000537293010 1012750780 /nfs/dbraw/zinc/75/07/80/1012750780.db2.gz USFJNYHLCWMVLV-QHCPKHFHSA-N 1 0 404.558 3.790 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000537304667 1012762467 /nfs/dbraw/zinc/76/24/67/1012762467.db2.gz TVZNIZHXEAOJJA-NRFANRHFSA-N 1 0 408.933 3.571 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](CO)c3ccc(Br)cc3)CC2)cc1 ZINC000537305948 1012764107 /nfs/dbraw/zinc/76/41/07/1012764107.db2.gz DBUKDZUWIZSIHQ-NRFANRHFSA-N 1 0 414.347 3.608 20 30 HHEDRO CC(C)C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000537361322 1012831731 /nfs/dbraw/zinc/83/17/31/1012831731.db2.gz WUMQGSNYWIUBCI-DKTYTTGXSA-N 1 0 405.506 3.936 20 30 HHEDRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541994800 1012872419 /nfs/dbraw/zinc/87/24/19/1012872419.db2.gz BCOZCHDNOKQGQN-GOSISDBHSA-N 1 0 415.541 3.955 20 30 HHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)o1 ZINC000524129791 1012911366 /nfs/dbraw/zinc/91/13/66/1012911366.db2.gz NJYKQUNLZJSMRU-UHFFFAOYSA-N 1 0 407.470 3.836 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000542025177 1012918922 /nfs/dbraw/zinc/91/89/22/1012918922.db2.gz ANZLNJPBTJEMJQ-IBGZPJMESA-N 1 0 411.468 3.829 20 30 HHEDRO C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542025958 1012919931 /nfs/dbraw/zinc/91/99/31/1012919931.db2.gz PHYRCQXBOVMAMF-FQEVSTJZSA-N 1 0 419.573 3.613 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1cc(C)cc(C)c1 ZINC000537433764 1012922498 /nfs/dbraw/zinc/92/24/98/1012922498.db2.gz FJGGHPKPUCTKIP-UHFFFAOYSA-N 1 0 415.541 3.873 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)c(F)c1 ZINC000552952453 1012938618 /nfs/dbraw/zinc/93/86/18/1012938618.db2.gz IMXNBTWGALMECE-NHCUHLMSSA-N 1 0 412.553 3.638 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000552998200 1012973507 /nfs/dbraw/zinc/97/35/07/1012973507.db2.gz WWWBOOWMSKPXJN-HUUCEWRRSA-N 1 0 417.479 3.519 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)C[C@@H](C)O1 ZINC000537482502 1012993270 /nfs/dbraw/zinc/99/32/70/1012993270.db2.gz RLMZFZWFZGRIDX-RTBURBONSA-N 1 0 403.526 3.781 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000553060681 1013034074 /nfs/dbraw/zinc/03/40/74/1013034074.db2.gz JMTPXVVPHBLSNJ-STZQEDGTSA-N 1 0 420.532 3.693 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cncc(Br)c2)no1 ZINC001211975316 1071828804 /nfs/dbraw/zinc/82/88/04/1071828804.db2.gz CYRIAJOIOIODAV-CVEARBPZSA-N 1 0 409.328 3.972 20 30 HHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168275516 1072155988 /nfs/dbraw/zinc/15/59/88/1072155988.db2.gz MGOILUZOCPTZHN-GJZGRUSLSA-N 1 0 411.449 3.653 20 30 HHEDRO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168275513 1072156072 /nfs/dbraw/zinc/15/60/72/1072156072.db2.gz MGOILUZOCPTZHN-CABCVRRESA-N 1 0 411.449 3.653 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000760352417 1072272257 /nfs/dbraw/zinc/27/22/57/1072272257.db2.gz JPXIXIPZKSMRIG-UHFFFAOYSA-N 1 0 412.921 3.565 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000760371943 1072286173 /nfs/dbraw/zinc/28/61/73/1072286173.db2.gz NLTYUAZWIGUJQW-WOJBJXKFSA-N 1 0 405.542 3.926 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000570889474 1072402863 /nfs/dbraw/zinc/40/28/63/1072402863.db2.gz XWHBWKWKEJNRQT-LIVBEALHSA-N 1 0 401.576 3.963 20 30 HHEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001691580220 1072482726 /nfs/dbraw/zinc/48/27/26/1072482726.db2.gz ORJAUSFQCIQBHM-WIYYLYMNSA-N 1 0 405.550 3.676 20 30 HHEDRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001691596302 1072512321 /nfs/dbraw/zinc/51/23/21/1072512321.db2.gz FYDJJBWKHQTBJF-NRFANRHFSA-N 1 0 421.593 3.514 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC2(CC2)C1 ZINC000571182201 1072571002 /nfs/dbraw/zinc/57/10/02/1072571002.db2.gz PSYKCSGIJHPHAM-UHFFFAOYSA-N 1 0 420.605 3.599 20 30 HHEDRO C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000587483685 1072581265 /nfs/dbraw/zinc/58/12/65/1072581265.db2.gz HIWVHDIYIZVSJD-MRXNPFEDSA-N 1 0 402.970 3.665 20 30 HHEDRO N#Cc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000571489766 1072637885 /nfs/dbraw/zinc/63/78/85/1072637885.db2.gz HKDFNJKAUJHPDW-UYAOXDASSA-N 1 0 413.481 3.973 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000587992456 1072734870 /nfs/dbraw/zinc/73/48/70/1072734870.db2.gz LSZRBEDENBUUBU-RSXGOPAZSA-N 1 0 414.553 3.652 20 30 HHEDRO C=CCc1ccc(OCC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001126870038 1072859126 /nfs/dbraw/zinc/85/91/26/1072859126.db2.gz QKIJZLXFRJIGKM-QFIPXVFZSA-N 1 0 408.542 3.926 20 30 HHEDRO C=CCCCN(C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554883326 1072935483 /nfs/dbraw/zinc/93/54/83/1072935483.db2.gz CEFBCFWBVFWQIC-KRIYCRJKSA-N 1 0 417.981 3.795 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000554903802 1072938309 /nfs/dbraw/zinc/93/83/09/1072938309.db2.gz LYGXLSQYAMHWOR-LJQANCHMSA-N 1 0 400.910 3.680 20 30 HHEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000554929977 1072964156 /nfs/dbraw/zinc/96/41/56/1072964156.db2.gz HAEMSFDTBIQQDX-OAQYLSRUSA-N 1 0 418.501 3.750 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000588664860 1073082136 /nfs/dbraw/zinc/08/21/36/1073082136.db2.gz CYHPSNYTFFMRHZ-GOTSBHOMSA-N 1 0 406.530 3.935 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000572051046 1073123693 /nfs/dbraw/zinc/12/36/93/1073123693.db2.gz YAYXAZWEXJLGBM-QTJFZDIUSA-N 1 0 400.885 3.713 20 30 HHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+](C)Cc2ccccc2)nnc1-c1ccccc1F ZINC000588689967 1073139467 /nfs/dbraw/zinc/13/94/67/1073139467.db2.gz UJVRVRKFNUPDMJ-SFHVURJKSA-N 1 0 412.534 3.855 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccccc2)CC1 ZINC000555161837 1073221646 /nfs/dbraw/zinc/22/16/46/1073221646.db2.gz YUEFUEPERVLMQM-SFTDATJTSA-N 1 0 408.571 3.684 20 30 HHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555249757 1073279756 /nfs/dbraw/zinc/27/97/56/1073279756.db2.gz ZTXWVSODBXVISP-BGYRXZFFSA-N 1 0 403.615 3.768 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000555266789 1073299052 /nfs/dbraw/zinc/29/90/52/1073299052.db2.gz GCSHSHMASQXURN-NRFANRHFSA-N 1 0 419.614 3.527 20 30 HHEDRO CC[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000555286089 1073308089 /nfs/dbraw/zinc/30/80/89/1073308089.db2.gz DPEAIDSUORHORN-SFHVURJKSA-N 1 0 402.420 3.539 20 30 HHEDRO COc1cc(C[NH2+]CC(C)(C)CCC#N)cc(I)c1OC ZINC000588929533 1073346615 /nfs/dbraw/zinc/34/66/15/1073346615.db2.gz JXSODJUWAJOQNK-UHFFFAOYSA-N 1 0 402.276 3.728 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H]4C[N@H+](C)C[C@@H]43)sc2C1 ZINC000590010630 1073449199 /nfs/dbraw/zinc/44/91/99/1073449199.db2.gz RFPZIQRMBSCZDI-FCEWJHQRSA-N 1 0 414.619 3.735 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CCN2C[C@H](C(C)(C)C)CC2=O)c1=S ZINC000783992640 1074129880 /nfs/dbraw/zinc/12/98/80/1074129880.db2.gz KQPOPYINJHEREH-GOSISDBHSA-N 1 0 419.639 3.523 20 30 HHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000573606693 1074566667 /nfs/dbraw/zinc/56/66/67/1074566667.db2.gz FNUCMEXJWGYRNT-UHFFFAOYSA-N 1 0 423.524 3.587 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)CC1 ZINC000592358883 1074735807 /nfs/dbraw/zinc/73/58/07/1074735807.db2.gz RXBROUHBNMPIBF-UHFFFAOYSA-N 1 0 413.468 3.727 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CC1 ZINC000592515737 1074777995 /nfs/dbraw/zinc/77/79/95/1074777995.db2.gz QQWMUSUGAFZIHS-UHFFFAOYSA-N 1 0 403.530 3.534 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC000592876447 1075129416 /nfs/dbraw/zinc/12/94/16/1075129416.db2.gz HBNUGZUFHKUVIF-UHFFFAOYSA-N 1 0 404.580 3.579 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000574069333 1075159188 /nfs/dbraw/zinc/15/91/88/1075159188.db2.gz QVHXVCRBEHBHFH-MHECFPHRSA-N 1 0 412.493 3.988 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)c2)cc1 ZINC000574082111 1075161084 /nfs/dbraw/zinc/16/10/84/1075161084.db2.gz PUWMCKQDAZCDRW-UHFFFAOYSA-N 1 0 418.541 3.876 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000575096849 1075477095 /nfs/dbraw/zinc/47/70/95/1075477095.db2.gz GEWWFZNGBMMKFD-UHFFFAOYSA-N 1 0 406.509 3.686 20 30 HHEDRO C=CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213444 1075544507 /nfs/dbraw/zinc/54/45/07/1075544507.db2.gz OUUDBGDTFTUGSZ-KRWDZBQOSA-N 1 0 402.506 3.737 20 30 HHEDRO C=CC[N@@H+](Cc1cccc(C(=O)NCC(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213368 1075544941 /nfs/dbraw/zinc/54/49/41/1075544941.db2.gz FDGIWFRHWVFYFW-IBGZPJMESA-N 1 0 418.545 3.797 20 30 HHEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N ZINC001545672258 1075693235 /nfs/dbraw/zinc/69/32/35/1075693235.db2.gz GSOXEOYEYINVCX-SJORKVTESA-N 1 0 402.974 3.848 20 30 HHEDRO COc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(C#N)c(Cl)n1 ZINC001164618328 719047250 /nfs/dbraw/zinc/04/72/50/719047250.db2.gz ANIFBEMOLJQYLF-YLJYHZDGSA-N 1 0 418.875 3.744 20 30 HHEDRO N#CC1(c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2)CCOCC1 ZINC001164628052 719094041 /nfs/dbraw/zinc/09/40/41/719094041.db2.gz LXQPWYZDZBUXDM-FYYLOGMGSA-N 1 0 402.542 3.754 20 30 HHEDRO Cc1cc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C#N ZINC001164694690 719886585 /nfs/dbraw/zinc/88/65/85/719886585.db2.gz CHNZINKGCHBZQO-UHFFFAOYSA-N 1 0 402.951 3.848 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1C#N)[C@@H]2C ZINC001164856281 720986287 /nfs/dbraw/zinc/98/62/87/720986287.db2.gz AOXGUKGALYCWJC-CYBMUJFWSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870214 721135814 /nfs/dbraw/zinc/13/58/14/721135814.db2.gz BWAOVBJTJWVCTQ-MSOLQXFVSA-N 1 0 419.916 3.635 20 30 HHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5cc(F)ccc5c(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164768005 721245119 /nfs/dbraw/zinc/24/51/19/721245119.db2.gz XKTJDAWZTIDLAW-CVEARBPZSA-N 1 0 424.911 3.591 20 30 HHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#C[Si](C)(C)C)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164807703 721589094 /nfs/dbraw/zinc/58/90/94/721589094.db2.gz PRDYQHQWJWNXJZ-CQOQZXRMSA-N 1 0 420.633 3.574 20 30 HHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCCC4)C[C@@H]21 ZINC001165025121 721831455 /nfs/dbraw/zinc/83/14/55/721831455.db2.gz LTSQOGBWEXQVOM-WDJPJFJCSA-N 1 0 401.558 3.964 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)cc(C#N)n2)CC1 ZINC001165023484 721840389 /nfs/dbraw/zinc/84/03/89/721840389.db2.gz ZNBFCHSCSJUFLK-UHFFFAOYSA-N 1 0 400.910 3.725 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3c(cc2C#N)CCCC3)CC1 ZINC001165023155 721843379 /nfs/dbraw/zinc/84/33/79/721843379.db2.gz XXKQHFDDDUHLCF-UHFFFAOYSA-N 1 0 420.557 3.950 20 30 HHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5ccc(C#N)cc54)CC3)C2)cc1 ZINC001164940564 721922673 /nfs/dbraw/zinc/92/26/73/721922673.db2.gz TWTWWZQALUFYGC-UHFFFAOYSA-N 1 0 413.525 3.681 20 30 HHEDRO N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C(F)(F)F)c1 ZINC000301345704 970878963 /nfs/dbraw/zinc/87/89/63/970878963.db2.gz GQTVRFBFNDPRFO-SFHVURJKSA-N 1 0 416.447 3.886 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301407552 970913084 /nfs/dbraw/zinc/91/30/84/970913084.db2.gz MTWSVZBWIGDSLM-HXUWFJFHSA-N 1 0 412.541 3.540 20 30 HHEDRO C[NH+](C)CCNC(=O)c1cccc(CNc2c(C#N)cnc3ccc(Cl)cc32)c1 ZINC000301447541 970932933 /nfs/dbraw/zinc/93/29/33/970932933.db2.gz ZUQJIOWOWIQDHY-UHFFFAOYSA-N 1 0 407.905 3.663 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)C[C@@H](C)O1 ZINC000301517299 970964132 /nfs/dbraw/zinc/96/41/32/970964132.db2.gz CFJMXBNMCXCJIG-IAGOWNOFSA-N 1 0 423.517 3.730 20 30 HHEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301529851 970968070 /nfs/dbraw/zinc/96/80/70/970968070.db2.gz JHWUYQZJPBPDHS-UHFFFAOYSA-N 1 0 413.953 3.798 20 30 HHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc([S@@](C)=O)cc1 ZINC000553102407 1013067988 /nfs/dbraw/zinc/06/79/88/1013067988.db2.gz OYNDFGRNHAVWCE-HJFSHJIFSA-N 1 0 415.584 3.915 20 30 HHEDRO CC(C)n1c(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000302709017 971287175 /nfs/dbraw/zinc/28/71/75/971287175.db2.gz ZAKNUEUILHRKDZ-CYBMUJFWSA-N 1 0 423.502 3.805 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1Br ZINC000302749193 971301216 /nfs/dbraw/zinc/30/12/16/971301216.db2.gz DHEUCLNDLXSBRZ-ZIAGYGMSSA-N 1 0 408.340 3.839 20 30 HHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1OC ZINC000302899168 971380454 /nfs/dbraw/zinc/38/04/54/971380454.db2.gz UEAQWOWKIQJIOE-FQEVSTJZSA-N 1 0 422.525 3.978 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC(C[NH+]3CCCC3)CC2)ccc1Cl ZINC000303191140 971551552 /nfs/dbraw/zinc/55/15/52/971551552.db2.gz MCYFAISRCVFXFY-UHFFFAOYSA-N 1 0 402.970 3.703 20 30 HHEDRO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000303523546 971823932 /nfs/dbraw/zinc/82/39/32/971823932.db2.gz PXTGHYILRTVZIH-HNNXBMFYSA-N 1 0 403.885 3.708 20 30 HHEDRO C#CCNC(=O)c1ccc(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nc1 ZINC000303560258 971854885 /nfs/dbraw/zinc/85/48/85/971854885.db2.gz WYIMPYJIRGQDTO-OAQYLSRUSA-N 1 0 416.550 3.718 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000303565669 971859443 /nfs/dbraw/zinc/85/94/43/971859443.db2.gz INURLHVGXZQYLT-MDNUFGMLSA-N 1 0 416.606 3.750 20 30 HHEDRO C[C@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000303786171 972027129 /nfs/dbraw/zinc/02/71/29/972027129.db2.gz UCSTYYGQFVWGOB-URXFXBBRSA-N 1 0 404.558 3.918 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000303787214 972027747 /nfs/dbraw/zinc/02/77/47/972027747.db2.gz SGYMDTLCCPOJDT-OAHLLOKOSA-N 1 0 421.372 3.991 20 30 HHEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C12CCCCC2 ZINC000303835617 972371747 /nfs/dbraw/zinc/37/17/47/972371747.db2.gz APIOEYNRVTWEOR-SFTDATJTSA-N 1 0 421.545 3.742 20 30 HHEDRO C=CC[N@@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630231 1013184254 /nfs/dbraw/zinc/18/42/54/1013184254.db2.gz NMRKLPOWJITYAE-SJORKVTESA-N 1 0 405.502 3.744 20 30 HHEDRO C=CC[N@@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630230 1013183774 /nfs/dbraw/zinc/18/37/74/1013183774.db2.gz NMRKLPOWJITYAE-IRXDYDNUSA-N 1 0 405.502 3.744 20 30 HHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630333 1013184102 /nfs/dbraw/zinc/18/41/02/1013184102.db2.gz QAHRYNXSVLEDPQ-INIZCTEOSA-N 1 0 403.465 3.941 20 30 HHEDRO [NH2+]=C(NCc1ccc(Cn2ccccc2=O)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303869247 972410944 /nfs/dbraw/zinc/41/09/44/972410944.db2.gz DTCVGCZRWJWJFJ-UHFFFAOYSA-N 1 0 416.403 3.722 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1Cl ZINC000303881990 972422781 /nfs/dbraw/zinc/42/27/81/972422781.db2.gz HYPPMMSBVXRZGX-GOSISDBHSA-N 1 0 423.344 3.802 20 30 HHEDRO COc1cc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)ccc1OCCO ZINC000303885671 972425850 /nfs/dbraw/zinc/42/58/50/972425850.db2.gz JXOMPLDZFFKPDX-GFCCVEGCSA-N 1 0 412.317 3.539 20 30 HHEDRO C[C@@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)c2)CCO1 ZINC000303887081 972427832 /nfs/dbraw/zinc/42/78/32/972427832.db2.gz ODORYEACWVIPJY-OAHLLOKOSA-N 1 0 422.451 3.733 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2OCc2ccccc2)cc1OC ZINC000303891987 972431581 /nfs/dbraw/zinc/43/15/81/972431581.db2.gz RCEYMLCDEVFJKD-UHFFFAOYSA-N 1 0 405.498 3.887 20 30 HHEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000303904653 972474780 /nfs/dbraw/zinc/47/47/80/972474780.db2.gz YXQLQZNZFQYLLV-DNVCBOLYSA-N 1 0 418.632 3.509 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000553288684 1013244991 /nfs/dbraw/zinc/24/49/91/1013244991.db2.gz KJJICVFLSRSZRL-YLJYHZDGSA-N 1 0 408.521 3.769 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000542308547 1013266565 /nfs/dbraw/zinc/26/65/65/1013266565.db2.gz GHSZSIHGXIWVMO-FYYLOGMGSA-N 1 0 410.493 3.591 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000553364105 1013304018 /nfs/dbraw/zinc/30/40/18/1013304018.db2.gz FBZDCXFAPGQZGU-ZWKOTPCHSA-N 1 0 405.477 3.997 20 30 HHEDRO COc1cc(OC)c2ncc(C#N)c(NCC3([NH+]4CCC(OC)CC4)CCCC3)c2c1 ZINC000553388441 1013319938 /nfs/dbraw/zinc/31/99/38/1013319938.db2.gz BKXJSRQLLDZLIQ-UHFFFAOYSA-N 1 0 424.545 3.959 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000553397458 1013326494 /nfs/dbraw/zinc/32/64/94/1013326494.db2.gz RJCXUZXGXSUFSW-OTOIZHKDSA-N 1 0 409.574 3.628 20 30 HHEDRO N#Cc1ccc(CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C2CC2)cc1 ZINC000542435002 1013385685 /nfs/dbraw/zinc/38/56/85/1013385685.db2.gz AVAUNDPPSZMZSS-UHFFFAOYSA-N 1 0 410.562 3.515 20 30 HHEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2CS(=O)(=O)NC(C)C)c(O)c1 ZINC000017701590 963220515 /nfs/dbraw/zinc/22/05/15/963220515.db2.gz NIJABMWMSFJDLW-HZHRSRAPSA-N 1 0 417.575 3.685 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691091 963698072 /nfs/dbraw/zinc/69/80/72/963698072.db2.gz ZMNNLSLYVQKUIN-CQSZACIVSA-O 1 0 409.984 3.959 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc(CC)cc2)cc1 ZINC000022691786 963698829 /nfs/dbraw/zinc/69/88/29/963698829.db2.gz NQHIJKIIELNUNT-FQEVSTJZSA-O 1 0 413.563 3.643 20 30 HHEDRO COCCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(C(C)(C)C)cc1 ZINC000022793553 963718008 /nfs/dbraw/zinc/71/80/08/963718008.db2.gz FXUWFYFAMQDPID-UHFFFAOYSA-O 1 0 407.506 3.725 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022795473 963718607 /nfs/dbraw/zinc/71/86/07/963718607.db2.gz YPPVXMFDDAZTFN-UHFFFAOYSA-O 1 0 410.519 3.866 20 30 HHEDRO CCc1ccc2c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1 ZINC000022819143 963722771 /nfs/dbraw/zinc/72/27/71/963722771.db2.gz YRTJTQVCHQCRET-UHFFFAOYSA-N 1 0 401.510 3.935 20 30 HHEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000024857418 964092447 /nfs/dbraw/zinc/09/24/47/964092447.db2.gz FAVVVXWZHFTEGX-FQEVSTJZSA-N 1 0 418.541 3.981 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000025303798 964235474 /nfs/dbraw/zinc/23/54/74/964235474.db2.gz FETBRQYPQGMXKC-VWLOTQADSA-N 1 0 415.537 3.659 20 30 HHEDRO C=CCc1ccc(OCC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000025897988 964386890 /nfs/dbraw/zinc/38/68/90/964386890.db2.gz NXLIPVMMJUZXCX-UHFFFAOYSA-N 1 0 408.542 3.756 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000542569430 1013510804 /nfs/dbraw/zinc/51/08/04/1013510804.db2.gz OQCCMRPWRSWZSF-LSDHHAIUSA-N 1 0 400.548 3.786 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000052104079 964809040 /nfs/dbraw/zinc/80/90/40/964809040.db2.gz JSTIXYBOXYCVHT-UHFFFAOYSA-N 1 0 400.567 3.995 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000027485665 964907238 /nfs/dbraw/zinc/90/72/38/964907238.db2.gz RTBQDCFJXUYMKH-IFXJQAMLSA-O 1 0 400.568 3.518 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000052485691 964916018 /nfs/dbraw/zinc/91/60/18/964916018.db2.gz MAFATDHNRVSUTP-IPMKNSEASA-N 1 0 419.639 3.668 20 30 HHEDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979433 1013555706 /nfs/dbraw/zinc/55/57/06/1013555706.db2.gz GHEZFFPAFOGJHV-YUVSOPLDSA-N 1 0 405.542 3.975 20 30 HHEDRO COc1ccccc1OCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000053683204 965247180 /nfs/dbraw/zinc/24/71/80/965247180.db2.gz JSTHFMGFHZXYFV-UHFFFAOYSA-N 1 0 413.543 3.847 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3nc4ccccc4s3)CC2)cc1 ZINC000029256068 965321587 /nfs/dbraw/zinc/32/15/87/965321587.db2.gz BZFHFWOPQZKKTE-UHFFFAOYSA-N 1 0 405.527 3.585 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000542646909 1013578586 /nfs/dbraw/zinc/57/85/86/1013578586.db2.gz UOWAQDNWNFQZCS-LJQANCHMSA-N 1 0 406.530 3.795 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055752011 966048382 /nfs/dbraw/zinc/04/83/82/966048382.db2.gz CXBZHNSRVKJETP-GCJKJVERSA-N 1 0 407.514 3.678 20 30 HHEDRO C[C@@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000056215886 966261972 /nfs/dbraw/zinc/26/19/72/966261972.db2.gz MXLZYAABRVKMFQ-MRXNPFEDSA-N 1 0 412.921 3.525 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000056624838 966399245 /nfs/dbraw/zinc/39/92/45/966399245.db2.gz VWPLCJVLVCYJFG-HXUWFJFHSA-N 1 0 412.559 3.987 20 30 HHEDRO CC(=O)Nc1c(C)ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000056691190 966419841 /nfs/dbraw/zinc/41/98/41/966419841.db2.gz LSBOCMZXEQWZFI-UHFFFAOYSA-N 1 0 419.529 3.873 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056805424 966472719 /nfs/dbraw/zinc/47/27/19/966472719.db2.gz DATMLLWLDVBFOM-HXUWFJFHSA-N 1 0 412.921 3.809 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000061774834 966547601 /nfs/dbraw/zinc/54/76/01/966547601.db2.gz XVKUJJRYRKCZSS-QFIPXVFZSA-N 1 0 406.530 3.869 20 30 HHEDRO COc1ccccc1C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000063408444 966847167 /nfs/dbraw/zinc/84/71/67/966847167.db2.gz BOSHMCMPHIIHPZ-UHFFFAOYSA-N 1 0 408.546 3.618 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000063750404 966946686 /nfs/dbraw/zinc/94/66/86/966946686.db2.gz IILYXXMTBVJQNU-UHFFFAOYSA-N 1 0 405.542 3.976 20 30 HHEDRO C=C(C)CNC(=S)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044139588 967134315 /nfs/dbraw/zinc/13/43/15/967134315.db2.gz HWJQLXKEKBOMKZ-UHFFFAOYSA-N 1 0 414.541 3.648 20 30 HHEDRO CN(c1ccccc1)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000044566380 967241439 /nfs/dbraw/zinc/24/14/39/967241439.db2.gz NCZBVNAXRUTVCI-UHFFFAOYSA-N 1 0 413.525 3.925 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000538168892 1013729274 /nfs/dbraw/zinc/72/92/74/1013729274.db2.gz WCYKYFZBZNDPEU-OAHLLOKOSA-N 1 0 420.469 3.636 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000538193416 1013750508 /nfs/dbraw/zinc/75/05/08/1013750508.db2.gz CGANNDCNKHSORX-HSZRJFAPSA-N 1 0 411.590 3.925 20 30 HHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000046613382 967882458 /nfs/dbraw/zinc/88/24/58/967882458.db2.gz HYVNILYTLYGYEX-MRXNPFEDSA-N 1 0 416.472 3.994 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](CO)C2CCCCC2)c1C#N ZINC000542913878 1013753525 /nfs/dbraw/zinc/75/35/25/1013753525.db2.gz PYDOGHDTAQIGMR-OAQYLSRUSA-N 1 0 400.567 3.951 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1F ZINC000047011214 968031378 /nfs/dbraw/zinc/03/13/78/968031378.db2.gz FDQLJTWQYNFDFA-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1CC(F)(F)F ZINC000047011451 968031707 /nfs/dbraw/zinc/03/17/07/968031707.db2.gz PPJRFIKIBOSLOH-UHFFFAOYSA-N 1 0 406.452 3.743 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942762 1013775303 /nfs/dbraw/zinc/77/53/03/1013775303.db2.gz SWASIPWPKIROMK-QGZVFWFLSA-N 1 0 413.477 3.921 20 30 HHEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1F ZINC000538224978 1013774453 /nfs/dbraw/zinc/77/44/53/1013774453.db2.gz OPLCQWVZTVPUQB-NRFANRHFSA-N 1 0 409.440 3.948 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)ccc1Cl ZINC000538229977 1013779459 /nfs/dbraw/zinc/77/94/59/1013779459.db2.gz WGPXRIAZTMFRJX-KRWDZBQOSA-N 1 0 422.920 3.827 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000047950839 968376768 /nfs/dbraw/zinc/37/67/68/968376768.db2.gz QEWYKGYWHSMNON-LJQANCHMSA-N 1 0 414.600 3.989 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000048160227 968462671 /nfs/dbraw/zinc/46/26/71/968462671.db2.gz MGFWUYKMQKYNBZ-LJQANCHMSA-N 1 0 400.548 3.869 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000065798628 968649660 /nfs/dbraw/zinc/64/96/60/968649660.db2.gz LARBHDFYRUBGMS-UHFFFAOYSA-N 1 0 406.515 3.672 20 30 HHEDRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930372 968720372 /nfs/dbraw/zinc/72/03/72/968720372.db2.gz XVTJIMFNZNLCGE-KRWDZBQOSA-N 1 0 424.570 3.588 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000065930957 968721517 /nfs/dbraw/zinc/72/15/17/968721517.db2.gz KVBBUZJFTQWMPE-UHFFFAOYSA-N 1 0 408.483 3.885 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000065975196 968747278 /nfs/dbraw/zinc/74/72/78/968747278.db2.gz RRVWZCUGGJXLQN-UHFFFAOYSA-N 1 0 419.550 3.978 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000072006937 968928299 /nfs/dbraw/zinc/92/82/99/968928299.db2.gz KHGXWBRYLWWNSP-DEOSSOPVSA-N 1 0 421.589 3.936 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072032469 968944964 /nfs/dbraw/zinc/94/49/64/968944964.db2.gz PBDVDPBYAHILDF-UHFFFAOYSA-N 1 0 401.854 3.716 20 30 HHEDRO COc1ccc(-c2nc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n[nH]2)c(OC)c1 ZINC000072057800 968964331 /nfs/dbraw/zinc/96/43/31/968964331.db2.gz XDGXDVRTQAIBGF-KRWDZBQOSA-N 1 0 421.501 3.989 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c(OC)c1 ZINC000106154955 969295251 /nfs/dbraw/zinc/29/52/51/969295251.db2.gz DNQPQPGYYLCYIK-UHFFFAOYSA-N 1 0 408.542 3.845 20 30 HHEDRO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000108269456 969369095 /nfs/dbraw/zinc/36/90/95/969369095.db2.gz UBNUXEHKEGASEE-KRWDZBQOSA-N 1 0 424.570 3.588 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000109503959 969526011 /nfs/dbraw/zinc/52/60/11/969526011.db2.gz FVFYZDQABBYQME-QFIPXVFZSA-N 1 0 421.541 3.988 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000109503957 969526307 /nfs/dbraw/zinc/52/63/07/969526307.db2.gz FVFYZDQABBYQME-JOCHJYFZSA-N 1 0 421.541 3.988 20 30 HHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc1 ZINC000109897722 969588885 /nfs/dbraw/zinc/58/88/85/969588885.db2.gz HWCMFSCDCFOUSH-UHFFFAOYSA-N 1 0 421.545 3.777 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000109940522 969598181 /nfs/dbraw/zinc/59/81/81/969598181.db2.gz SYBXALWCMXDZCP-NRFANRHFSA-N 1 0 422.554 3.554 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1C#N ZINC000554280354 1013891811 /nfs/dbraw/zinc/89/18/11/1013891811.db2.gz IHVDHORNSMDWMI-GCJKJVERSA-N 1 0 423.536 3.602 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000110931704 969742792 /nfs/dbraw/zinc/74/27/92/969742792.db2.gz AGLIGRUFXMZQRS-UHFFFAOYSA-N 1 0 418.541 3.626 20 30 HHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112544484 969815347 /nfs/dbraw/zinc/81/53/47/969815347.db2.gz ITSKDHZSFYFFBJ-LPHOPBHVSA-N 1 0 400.523 3.655 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000115881491 969858938 /nfs/dbraw/zinc/85/89/38/969858938.db2.gz UZWVWTKVUWCDGR-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138623615 970005551 /nfs/dbraw/zinc/00/55/51/970005551.db2.gz VFYWERIEKGXBPI-UHFFFAOYSA-N 1 0 411.527 3.523 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000554409354 1013937547 /nfs/dbraw/zinc/93/75/47/1013937547.db2.gz OPYXXYOYXWNSNG-HXUWFJFHSA-N 1 0 403.526 3.840 20 30 HHEDRO CCOc1ccc(C2(C[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)CCOCC2)cc1 ZINC000140462112 970077916 /nfs/dbraw/zinc/07/79/16/970077916.db2.gz RONQNDMZOBLOTB-GOSISDBHSA-N 1 0 407.514 3.622 20 30 HHEDRO COc1ccc(C)cc1C1(C[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CCOCC1 ZINC000140494454 970078485 /nfs/dbraw/zinc/07/84/85/970078485.db2.gz UPUBKWUVGIBIHZ-GOSISDBHSA-N 1 0 407.514 3.540 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)CC1 ZINC000216943482 970082128 /nfs/dbraw/zinc/08/21/28/970082128.db2.gz NVHNJHBJGRVKLZ-UHFFFAOYSA-N 1 0 409.559 3.776 20 30 HHEDRO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)COc4ccc(C#N)cc4)CC3)c2c1 ZINC000142113810 970141685 /nfs/dbraw/zinc/14/16/85/970141685.db2.gz ZZRWZFRYCORWMV-LJQANCHMSA-N 1 0 405.498 3.667 20 30 HHEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000236896000 970186226 /nfs/dbraw/zinc/18/62/26/970186226.db2.gz KVBPAZZZRFZNOG-LJQANCHMSA-N 1 0 413.493 3.642 20 30 HHEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000237009342 970206636 /nfs/dbraw/zinc/20/66/36/970206636.db2.gz ZJSZBMAQJFLHLW-GOSISDBHSA-N 1 0 400.544 3.580 20 30 HHEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000237013047 970206648 /nfs/dbraw/zinc/20/66/48/970206648.db2.gz ZJSZBMAQJFLHLW-SFHVURJKSA-N 1 0 400.544 3.580 20 30 HHEDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000237346711 970267702 /nfs/dbraw/zinc/26/77/02/970267702.db2.gz ARQPIZGCFDHVQF-UHFFFAOYSA-N 1 0 420.534 3.972 20 30 HHEDRO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237356284 970269024 /nfs/dbraw/zinc/26/90/24/970269024.db2.gz QBBUSJRSLZFTPO-UHFFFAOYSA-N 1 0 420.534 3.972 20 30 HHEDRO COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000237380957 970274526 /nfs/dbraw/zinc/27/45/26/970274526.db2.gz UQYHSEIUIHIRNL-IBGZPJMESA-N 1 0 405.477 3.855 20 30 HHEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(OC)c1OC ZINC000237450257 970290724 /nfs/dbraw/zinc/29/07/24/970290724.db2.gz PMBNCOHTXSFRNT-UHFFFAOYSA-N 1 0 406.486 3.779 20 30 HHEDRO C#CCOc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000237461266 970292332 /nfs/dbraw/zinc/29/23/32/970292332.db2.gz FICBHKZBJMMJDD-UHFFFAOYSA-N 1 0 422.506 3.579 20 30 HHEDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000237548806 970311068 /nfs/dbraw/zinc/31/10/68/970311068.db2.gz JAUPXMURZBAXMO-PMACEKPBSA-N 1 0 421.541 3.908 20 30 HHEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000237658480 970332234 /nfs/dbraw/zinc/33/22/34/970332234.db2.gz ASZCEKLNUJBKPF-WOJBJXKFSA-N 1 0 406.526 3.628 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)c1 ZINC000238070832 970434534 /nfs/dbraw/zinc/43/45/34/970434534.db2.gz TYYXSRYVFOBSCF-FQEVSTJZSA-N 1 0 424.447 3.945 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2cc(Br)ccc2OC(F)F)cc1 ZINC000303969789 972556662 /nfs/dbraw/zinc/55/66/62/972556662.db2.gz CCSSCDMCKIIRNO-UHFFFAOYSA-N 1 0 400.223 3.986 20 30 HHEDRO CCc1ccc(NC(=[NH2+])NCCCNC(=O)c2cccc(Br)c2)cc1 ZINC000303969624 972556928 /nfs/dbraw/zinc/55/69/28/972556928.db2.gz BVDMPNJOVLQFSE-UHFFFAOYSA-N 1 0 403.324 3.558 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC ZINC000303974832 972561417 /nfs/dbraw/zinc/56/14/17/972561417.db2.gz IJKKPLKSPDDNOF-QGZVFWFLSA-N 1 0 416.953 3.596 20 30 HHEDRO C[C@H](NC(=[NH2+])NCC(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000303979042 972565357 /nfs/dbraw/zinc/56/53/57/972565357.db2.gz MSLFHOZOVLLJCS-ZDUSSCGKSA-N 1 0 405.329 3.544 20 30 HHEDRO COc1cc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc(Br)c1OC ZINC000303984530 972568266 /nfs/dbraw/zinc/56/82/66/972568266.db2.gz SDOZPQHVRQRLEI-UHFFFAOYSA-N 1 0 404.308 3.882 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC3CCCC3)c2)cc1OC ZINC000303986126 972568371 /nfs/dbraw/zinc/56/83/71/972568371.db2.gz UDYWRFYETQUXPV-UHFFFAOYSA-N 1 0 413.518 3.638 20 30 HHEDRO CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304667718 972602802 /nfs/dbraw/zinc/60/28/02/972602802.db2.gz LEUJNNARTZHJNX-UHFFFAOYSA-N 1 0 414.575 3.569 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC000304760823 972605531 /nfs/dbraw/zinc/60/55/31/972605531.db2.gz SWWBJIJLXBXXHU-QGZVFWFLSA-N 1 0 414.506 3.696 20 30 HHEDRO COc1cc(OC)c(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(OC)c1 ZINC000304765330 972607331 /nfs/dbraw/zinc/60/73/31/972607331.db2.gz ZCZSXCACWFNQGW-UHFFFAOYSA-N 1 0 413.396 3.580 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(C)cc2Oc2ccccc2)CC1 ZINC000304954872 972608144 /nfs/dbraw/zinc/60/81/44/972608144.db2.gz VDDBFLAXGMOFST-UHFFFAOYSA-N 1 0 410.518 3.813 20 30 HHEDRO [NH2+]=C(NCCOc1ccc(C(F)(F)F)cn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305096676 972609760 /nfs/dbraw/zinc/60/97/60/972609760.db2.gz UHVKQMBWBOGDMA-UHFFFAOYSA-N 1 0 408.302 3.805 20 30 HHEDRO Cc1cccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N2CCOCC2)c1 ZINC000305226449 972611500 /nfs/dbraw/zinc/61/15/00/972611500.db2.gz KRYDVLAVCFWPRU-SFHVURJKSA-N 1 0 422.451 3.694 20 30 HHEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N2CCOCC2)cc1 ZINC000305220279 972611516 /nfs/dbraw/zinc/61/15/16/972611516.db2.gz JGENPQJRURJUSW-SFHVURJKSA-N 1 0 422.451 3.694 20 30 HHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(O[C@H]2CCOC2)c1 ZINC000305236288 972611814 /nfs/dbraw/zinc/61/18/14/972611814.db2.gz NTUCLFCRORYQFK-HNNXBMFYSA-N 1 0 409.408 3.988 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000305657973 972613332 /nfs/dbraw/zinc/61/33/32/972613332.db2.gz GADUKPHALYYYOA-OAHLLOKOSA-N 1 0 405.779 3.516 20 30 HHEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379704692 972772798 /nfs/dbraw/zinc/77/27/98/972772798.db2.gz KBGLQDZSRNQAMW-YJBOKZPZSA-N 1 0 403.935 3.543 20 30 HHEDRO N#Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOc4c(Br)cccc43)C2=O)cc1 ZINC000409841656 973310452 /nfs/dbraw/zinc/31/04/52/973310452.db2.gz BBUVQZLPTXKWQZ-MSOLQXFVSA-N 1 0 412.287 3.539 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1)CC1CC1 ZINC000409891248 973354171 /nfs/dbraw/zinc/35/41/71/973354171.db2.gz KXPMEKZJBZWBAF-UHFFFAOYSA-N 1 0 405.546 3.718 20 30 HHEDRO C=CCN1CC[C@@H]([N@H+](CC)Cc2ccc(OCc3cccs3)c(OC)c2)C1=O ZINC000410318345 973862952 /nfs/dbraw/zinc/86/29/52/973862952.db2.gz WJLXYUUOOVSFMW-LJQANCHMSA-N 1 0 400.544 3.945 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)cc1 ZINC000426109970 974232344 /nfs/dbraw/zinc/23/23/44/974232344.db2.gz DHTCVAAJBJIUAV-PKTZIBPZSA-N 1 0 420.513 3.850 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426141136 974261408 /nfs/dbraw/zinc/26/14/08/974261408.db2.gz CFLQDENVQVFXKN-UHFFFAOYSA-N 1 0 417.985 3.872 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176451 974286907 /nfs/dbraw/zinc/28/69/07/974286907.db2.gz MWHLXKCODAOJNV-GJZGRUSLSA-N 1 0 417.575 3.737 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N2CCC(C#N)CC2)cc1Cl ZINC000426259915 974352574 /nfs/dbraw/zinc/35/25/74/974352574.db2.gz BVJWXDYGTZGKNH-UHFFFAOYSA-N 1 0 419.957 3.569 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000426502998 974492522 /nfs/dbraw/zinc/49/25/22/974492522.db2.gz HDBBAMRWKDQFTO-JOCHJYFZSA-N 1 0 410.562 3.657 20 30 HHEDRO CN(C(=O)c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1)c1ccccc1 ZINC000426546890 974520508 /nfs/dbraw/zinc/52/05/08/974520508.db2.gz XTHRNBQHMMSRFN-UHFFFAOYSA-N 1 0 407.518 3.662 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000426562057 974530084 /nfs/dbraw/zinc/53/00/84/974530084.db2.gz YVDXQXNFYXVKSX-FQEVSTJZSA-N 1 0 405.542 3.822 20 30 HHEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426797220 974667751 /nfs/dbraw/zinc/66/77/51/974667751.db2.gz APOYJBRAXAVXNU-KRWDZBQOSA-N 1 0 402.947 3.924 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000426957626 974778396 /nfs/dbraw/zinc/77/83/96/974778396.db2.gz UHNHNVPBNGSYFN-ZEQRLZLVSA-N 1 0 420.557 3.769 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000426957625 974778433 /nfs/dbraw/zinc/77/84/33/974778433.db2.gz UHNHNVPBNGSYFN-RPWUZVMVSA-N 1 0 420.557 3.769 20 30 HHEDRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+]1CCCCC1 ZINC000426970155 974787991 /nfs/dbraw/zinc/78/79/91/974787991.db2.gz BSMRNFIQVRRQRU-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427272906 975017656 /nfs/dbraw/zinc/01/76/56/975017656.db2.gz KRCCOHABUSEIBY-UHFFFAOYSA-N 1 0 417.557 3.893 20 30 HHEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000427763046 975275121 /nfs/dbraw/zinc/27/51/21/975275121.db2.gz JHKGQXSFUVHETL-MRXNPFEDSA-N 1 0 423.460 3.649 20 30 HHEDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sc4ccc(C#N)cc4c3C)cn2)CC1 ZINC000428204861 975529098 /nfs/dbraw/zinc/52/90/98/975529098.db2.gz GMBOFEOSLRDUPB-UHFFFAOYSA-N 1 0 419.554 3.548 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)cc2)nc1 ZINC000428531250 975825195 /nfs/dbraw/zinc/82/51/95/975825195.db2.gz FKEDKPSXSOZJCG-OAQYLSRUSA-N 1 0 414.465 3.564 20 30 HHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428701634 975992554 /nfs/dbraw/zinc/99/25/54/975992554.db2.gz RVXZDPXXGIUDBR-FQEVSTJZSA-N 1 0 409.534 3.527 20 30 HHEDRO N#CCC[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963127 976251832 /nfs/dbraw/zinc/25/18/32/976251832.db2.gz CBYNAJORJONLNJ-XZOQPEGZSA-N 1 0 406.530 3.622 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H](C3CCC3)C2)sc2c1CCCCC2 ZINC000429006084 976286254 /nfs/dbraw/zinc/28/62/54/976286254.db2.gz KNDHTIPMTXXJCM-QGZVFWFLSA-N 1 0 401.576 3.966 20 30 HHEDRO C=CCOc1cccc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000429054936 976341935 /nfs/dbraw/zinc/34/19/35/976341935.db2.gz KZWOZIMZNPABDX-RTBURBONSA-N 1 0 401.551 3.995 20 30 HHEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000429186425 976476248 /nfs/dbraw/zinc/47/62/48/976476248.db2.gz GTLZGOTXRMUBPL-DEOSSOPVSA-N 1 0 406.530 3.588 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1OCCc2sccc21 ZINC000429192877 976483876 /nfs/dbraw/zinc/48/38/76/976483876.db2.gz SJNJDHQYMXNKPL-VBKZILBWSA-N 1 0 403.935 3.940 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@@H+](C4CCC4)C[C@H](C)C3)sc2C1 ZINC000429383553 976656485 /nfs/dbraw/zinc/65/64/85/976656485.db2.gz RADNMCIDPWHQFJ-DLBZAZTESA-N 1 0 414.619 3.879 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 ZINC000429702525 976994842 /nfs/dbraw/zinc/99/48/42/976994842.db2.gz LKADWQRPQJIHEZ-UHFFFAOYSA-N 1 0 405.905 3.886 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429724860 977014662 /nfs/dbraw/zinc/01/46/62/977014662.db2.gz XQUNJHZLYGBVEX-WOJBJXKFSA-N 1 0 407.562 3.952 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000429810845 977085776 /nfs/dbraw/zinc/08/57/76/977085776.db2.gz CBHLXESZZTXDLK-SIKLNZKXSA-N 1 0 413.525 3.857 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292804 977453779 /nfs/dbraw/zinc/45/37/79/977453779.db2.gz JUQPDXXPGXULTE-RTBURBONSA-N 1 0 411.571 3.636 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000430598717 977650303 /nfs/dbraw/zinc/65/03/03/977650303.db2.gz ORFGEMNAHRSVND-UHFFFAOYSA-N 1 0 418.497 3.628 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430642652 977664662 /nfs/dbraw/zinc/66/46/62/977664662.db2.gz VSXRRHSLNNLNNK-UGKGYDQZSA-N 1 0 421.541 3.895 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430647230 977666696 /nfs/dbraw/zinc/66/66/96/977666696.db2.gz FFCQCLXUKZIXNI-PGRDOPGGSA-N 1 0 407.562 3.516 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H](c2ccccc2)[NH+]2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430949319 977908582 /nfs/dbraw/zinc/90/85/82/977908582.db2.gz CCOIEPRHZIQKKN-PKTZIBPZSA-N 1 0 403.526 3.885 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431224087 978104866 /nfs/dbraw/zinc/10/48/66/978104866.db2.gz MJOOOWAJRXJAOL-UEVCKROQSA-N 1 0 403.526 3.568 20 30 HHEDRO C=CCN1C(=O)N(C[C@H]2CCC[N@@H+]2Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431265063 978150930 /nfs/dbraw/zinc/15/09/30/978150930.db2.gz GNMUHVSNUHUCBG-DHIUTWEWSA-N 1 0 403.526 3.713 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](Oc4ccncc4)C3)sc2C1 ZINC000431610380 978382915 /nfs/dbraw/zinc/38/29/15/978382915.db2.gz PXSRRPKXSLUTLK-NVXWUHKLSA-N 1 0 410.543 3.621 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(F)c1Br ZINC000431841223 978547515 /nfs/dbraw/zinc/54/75/15/978547515.db2.gz QHNKRFHABISRRV-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000431904526 978589319 /nfs/dbraw/zinc/58/93/19/978589319.db2.gz RMJJMNVIJXTPCR-UHFFFAOYSA-N 1 0 417.497 3.613 20 30 HHEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000431906858 978591188 /nfs/dbraw/zinc/59/11/88/978591188.db2.gz JLTUMSHXINRSNW-MAUKXSAKSA-N 1 0 403.935 3.543 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000432073050 978669367 /nfs/dbraw/zinc/66/93/67/978669367.db2.gz VRYFVACNIHFBRV-MRXNPFEDSA-N 1 0 411.531 3.839 20 30 HHEDRO Cc1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c(OCC[NH+](C)C)c1 ZINC000432333682 978765078 /nfs/dbraw/zinc/76/50/78/978765078.db2.gz CHXRFGPJFWEKGR-UHFFFAOYSA-N 1 0 408.502 3.555 20 30 HHEDRO N#CCCC[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000433010571 979041141 /nfs/dbraw/zinc/04/11/41/979041141.db2.gz CNMFZCXIGBRLTL-QHCPKHFHSA-N 1 0 405.542 3.876 20 30 HHEDRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433021478 979044359 /nfs/dbraw/zinc/04/43/59/979044359.db2.gz XIQXNTXETSTZTI-RTWAWAEBSA-N 1 0 407.514 3.700 20 30 HHEDRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433022754 979044708 /nfs/dbraw/zinc/04/47/08/979044708.db2.gz XGNFJZJQUBMMQH-SFHVURJKSA-N 1 0 419.934 3.707 20 30 HHEDRO Cc1cc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000433035682 979048755 /nfs/dbraw/zinc/04/87/55/979048755.db2.gz NMZZHSWYZDXPPU-HXUWFJFHSA-N 1 0 417.517 3.551 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H](O)Cc3ccccc3)sc2C1 ZINC000433065376 979056368 /nfs/dbraw/zinc/05/63/68/979056368.db2.gz CGAHMXWUEKCSIX-AEFFLSMTSA-N 1 0 411.571 3.609 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000433151535 979101422 /nfs/dbraw/zinc/10/14/22/979101422.db2.gz OFWTYEQNVOUDQD-QGZVFWFLSA-N 1 0 410.518 3.514 20 30 HHEDRO O[C@H](COCC(F)(F)F)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000433194543 979134140 /nfs/dbraw/zinc/13/41/40/979134140.db2.gz XLLGCPQGOPKERH-LBPRGKRZSA-N 1 0 419.337 3.786 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH2+][C@@H](C)c1ccccc1 ZINC000433888146 979652922 /nfs/dbraw/zinc/65/29/22/979652922.db2.gz NRFVJGLSZFBYLA-INIZCTEOSA-N 1 0 410.493 3.662 20 30 HHEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)CC1 ZINC000434117934 979872737 /nfs/dbraw/zinc/87/27/37/979872737.db2.gz CNHOGFCPVODHKW-UHFFFAOYSA-N 1 0 423.483 3.599 20 30 HHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(C#N)cc1 ZINC000434327573 980092071 /nfs/dbraw/zinc/09/20/71/980092071.db2.gz QNYSQWCTQSBKME-NRFANRHFSA-N 1 0 415.497 3.528 20 30 HHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CNc1ccc(C#N)cc1 ZINC000434360152 980114312 /nfs/dbraw/zinc/11/43/12/980114312.db2.gz OLLFARNHSNCGCR-QFIPXVFZSA-N 1 0 414.513 3.561 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000434504942 980217445 /nfs/dbraw/zinc/21/74/45/980217445.db2.gz XAHZHEVPUUJXHA-QHCPKHFHSA-N 1 0 419.573 3.548 20 30 HHEDRO Cc1ccn(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)CC2)n1 ZINC000434509922 980221091 /nfs/dbraw/zinc/22/10/91/980221091.db2.gz KLCXONIZABNRRT-OAHLLOKOSA-N 1 0 411.575 3.915 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870152 980459073 /nfs/dbraw/zinc/45/90/73/980459073.db2.gz PJQYFTLOVIFMGY-UWJYYQICSA-N 1 0 408.571 3.747 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434870451 980459244 /nfs/dbraw/zinc/45/92/44/980459244.db2.gz QPQGBCZTUOFMDY-DYESRHJHSA-N 1 0 408.571 3.889 20 30 HHEDRO COC(=O)[C@H](Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000434881658 980465590 /nfs/dbraw/zinc/46/55/90/980465590.db2.gz WSGVKHLKNZYOPV-HSZRJFAPSA-N 1 0 420.513 3.699 20 30 HHEDRO COC(=O)[C@H](NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000434881075 980465593 /nfs/dbraw/zinc/46/55/93/980465593.db2.gz SESLYUBAKJOWDF-JOCHJYFZSA-N 1 0 411.933 3.928 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(-c2ccncc2)n1 ZINC000435127166 980658320 /nfs/dbraw/zinc/65/83/20/980658320.db2.gz ANTRIKOZPXPILC-NRFANRHFSA-N 1 0 415.497 3.967 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435524941 980919215 /nfs/dbraw/zinc/91/92/15/980919215.db2.gz HJFAUBCLQMCSDR-PKTZIBPZSA-N 1 0 424.589 3.750 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435529291 980923674 /nfs/dbraw/zinc/92/36/74/980923674.db2.gz XWMWARDPTVLKAA-UHFFFAOYSA-N 1 0 412.578 3.763 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000435750563 981015643 /nfs/dbraw/zinc/01/56/43/981015643.db2.gz YJKRUYWPLXECQB-RDPSFJRHSA-N 1 0 416.562 3.547 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435760154 981019280 /nfs/dbraw/zinc/01/92/80/981019280.db2.gz NBEMPWVSHLQDFA-UHFFFAOYSA-N 1 0 402.498 3.927 20 30 HHEDRO COc1ccc([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+]2CCCCC2)cc1 ZINC000435831417 981050876 /nfs/dbraw/zinc/05/08/76/981050876.db2.gz QHZDQYQVLUDTQI-QHCPKHFHSA-N 1 0 403.526 3.942 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[NH+]2CCCCC2)cc1 ZINC000435831416 981051054 /nfs/dbraw/zinc/05/10/54/981051054.db2.gz QHZDQYQVLUDTQI-HSZRJFAPSA-N 1 0 403.526 3.942 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000436103067 981201437 /nfs/dbraw/zinc/20/14/37/981201437.db2.gz MRLABBORTIXESD-KDURUIRLSA-N 1 0 403.526 3.515 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000436324783 981299740 /nfs/dbraw/zinc/29/97/40/981299740.db2.gz MJKIFNBGPUKXGA-DQEYMECFSA-N 1 0 416.569 3.887 20 30 HHEDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436344052 981312929 /nfs/dbraw/zinc/31/29/29/981312929.db2.gz KIPQUHWUPLNAEQ-MOPGFXCFSA-N 1 0 420.557 3.773 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000437009894 981684777 /nfs/dbraw/zinc/68/47/77/981684777.db2.gz MWUZDPZKAUPZCO-GOTSBHOMSA-N 1 0 418.541 3.765 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000448321144 981698080 /nfs/dbraw/zinc/69/80/80/981698080.db2.gz LOKWGRLDEPVXQZ-OAQYLSRUSA-N 1 0 420.513 3.526 20 30 HHEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000437113334 981768666 /nfs/dbraw/zinc/76/86/66/981768666.db2.gz WPZPZLSBPVIFPV-PPDQVPDSSA-N 1 0 408.502 3.659 20 30 HHEDRO C=CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000437150812 981800171 /nfs/dbraw/zinc/80/01/71/981800171.db2.gz LOIPHKVYCAOGGC-OAHLLOKOSA-N 1 0 410.428 3.885 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448519354 981845471 /nfs/dbraw/zinc/84/54/71/981845471.db2.gz DGRGOURJSRGNQV-DVRPDQNBSA-N 1 0 422.573 3.907 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000460122129 981898079 /nfs/dbraw/zinc/89/80/79/981898079.db2.gz XKFFBYPZHFGISQ-DHIUTWEWSA-N 1 0 421.566 3.789 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000460134112 981908740 /nfs/dbraw/zinc/90/87/40/981908740.db2.gz MGQSBJRQQDHBAD-QFIPXVFZSA-N 1 0 406.530 3.731 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1cccc(C#N)c1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437349110 981999560 /nfs/dbraw/zinc/99/95/60/981999560.db2.gz VBVXHXUJPRIGCS-QFIPXVFZSA-N 1 0 418.541 3.708 20 30 HHEDRO CCn1c(-c2ccccc2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460313656 982092333 /nfs/dbraw/zinc/09/23/33/982092333.db2.gz UBIIFIVVOXVWJQ-UHFFFAOYSA-N 1 0 400.530 3.857 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460396247 982176747 /nfs/dbraw/zinc/17/67/47/982176747.db2.gz XMDJLQSCBUJDLL-HKUYNNGSSA-N 1 0 413.566 3.705 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460545552 982331966 /nfs/dbraw/zinc/33/19/66/982331966.db2.gz AGLZMRIMQUWVPU-KSEOMHKRSA-N 1 0 409.578 3.847 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460557700 982344141 /nfs/dbraw/zinc/34/41/41/982344141.db2.gz JCZRNVWXJXPIFM-GOSISDBHSA-N 1 0 415.969 3.723 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)[C@H](C)C1 ZINC000460631928 982409296 /nfs/dbraw/zinc/40/92/96/982409296.db2.gz UFXUSQKUMRLDNE-NQIIRXRSSA-N 1 0 410.566 3.551 20 30 HHEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000437883701 982434791 /nfs/dbraw/zinc/43/47/91/982434791.db2.gz PAVGAUCPNLILPH-HRAATJIYSA-N 1 0 405.502 3.757 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCCCC[N@H+]3CCC[C@H]3CO)c2)cc1 ZINC000438021932 982529102 /nfs/dbraw/zinc/52/91/02/982529102.db2.gz IFKBKSBNCOPLBK-FQEVSTJZSA-N 1 0 408.502 3.709 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460783868 982536357 /nfs/dbraw/zinc/53/63/57/982536357.db2.gz ZBYOIHJFPIWUKB-LQWHRVPQSA-N 1 0 411.550 3.533 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460792777 982545056 /nfs/dbraw/zinc/54/50/56/982545056.db2.gz JMLTXPSUOGGPQO-IBGZPJMESA-N 1 0 410.522 3.884 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000438051291 982552846 /nfs/dbraw/zinc/55/28/46/982552846.db2.gz GKUYMHLAOHAMGJ-NEWSRXKRSA-N 1 0 411.468 3.560 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H]1C(C)C ZINC000460804016 982556536 /nfs/dbraw/zinc/55/65/36/982556536.db2.gz OXSDLWZZVDFCCK-HSZRJFAPSA-N 1 0 422.621 3.844 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460931351 982669469 /nfs/dbraw/zinc/66/94/69/982669469.db2.gz KQHCBEZSNLRYLH-UHFFFAOYSA-N 1 0 409.578 3.930 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460948402 982683496 /nfs/dbraw/zinc/68/34/96/982683496.db2.gz VSSRMVHKBVYURK-OAQYLSRUSA-N 1 0 409.578 3.930 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460960128 982691847 /nfs/dbraw/zinc/69/18/47/982691847.db2.gz PGVMLIIBPOFDNC-XLIONFOSSA-N 1 0 413.566 3.705 20 30 HHEDRO CCN(CC)C(=O)[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438310878 982715456 /nfs/dbraw/zinc/71/54/56/982715456.db2.gz FEDSOLIVHDFACM-LZBANZJXSA-N 1 0 406.530 3.843 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000461088931 982783810 /nfs/dbraw/zinc/78/38/10/982783810.db2.gz PSSZDQVKUGGRRX-UHFFFAOYSA-N 1 0 409.555 3.720 20 30 HHEDRO N#Cc1ccc([C@H](C(N)=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000438513044 982852773 /nfs/dbraw/zinc/85/27/73/982852773.db2.gz YTZIAKDOXQHCLE-HSZRJFAPSA-N 1 0 402.542 3.605 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000438627801 982948090 /nfs/dbraw/zinc/94/80/90/982948090.db2.gz BHTARRMFHDGUQM-KSSFIOAISA-N 1 0 412.456 3.836 20 30 HHEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000438643823 982962299 /nfs/dbraw/zinc/96/22/99/982962299.db2.gz GXXSXOBJYLWJIT-MRXNPFEDSA-N 1 0 422.407 3.522 20 30 HHEDRO C=CCOc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000461435071 983098404 /nfs/dbraw/zinc/09/84/04/983098404.db2.gz GXZSBBYTZFPPLQ-FGZHOGPDSA-N 1 0 406.526 3.854 20 30 HHEDRO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000461435072 983098525 /nfs/dbraw/zinc/09/85/25/983098525.db2.gz GXZSBBYTZFPPLQ-VXKWHMMOSA-N 1 0 406.526 3.854 20 30 HHEDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000438988152 983196627 /nfs/dbraw/zinc/19/66/27/983196627.db2.gz QYSFNNIRUIFSDX-BEFAXECRSA-N 1 0 410.493 3.984 20 30 HHEDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000439011973 983208856 /nfs/dbraw/zinc/20/88/56/983208856.db2.gz VXNYHDLFMDHEGU-GOSISDBHSA-N 1 0 410.562 3.778 20 30 HHEDRO COc1cccc([C@@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)[NH+](C)C)c1 ZINC000439133390 983266370 /nfs/dbraw/zinc/26/63/70/983266370.db2.gz RROFRCMDJGDMBE-QGZVFWFLSA-N 1 0 400.404 3.669 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000439239177 983325287 /nfs/dbraw/zinc/32/52/87/983325287.db2.gz UBESOELXCGZNHE-SFHVURJKSA-N 1 0 417.962 3.744 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC([C@H]3CCCO3)CC2)c1C#N ZINC000439288871 983346622 /nfs/dbraw/zinc/34/66/22/983346622.db2.gz DSQUZEOBTOOWSR-JOCHJYFZSA-N 1 0 424.545 3.838 20 30 HHEDRO C=CCCO[C@@H](C)C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000439295654 983350343 /nfs/dbraw/zinc/35/03/43/983350343.db2.gz HXZSGNCFGHNKME-HNNXBMFYSA-N 1 0 412.372 3.746 20 30 HHEDRO C[NH+](C)CC(C)(C)CN(C(=O)c1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000439297829 983351381 /nfs/dbraw/zinc/35/13/81/983351381.db2.gz NANQFBKDPUXTPX-UHFFFAOYSA-N 1 0 415.335 3.950 20 30 HHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000439390569 983390732 /nfs/dbraw/zinc/39/07/32/983390732.db2.gz VYFIZDBJMCVMFW-AWEZNQCLSA-N 1 0 415.444 3.902 20 30 HHEDRO CCCc1c(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439673871 983495496 /nfs/dbraw/zinc/49/54/96/983495496.db2.gz VRSMNCFFQSKKBJ-GOSISDBHSA-N 1 0 408.550 3.940 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cnn1-c1cccc(C#N)c1 ZINC000439676624 983496614 /nfs/dbraw/zinc/49/66/14/983496614.db2.gz WZAIAHFVTITTIE-NQIIRXRSSA-N 1 0 406.534 3.644 20 30 HHEDRO CCCc1c(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439688854 983502363 /nfs/dbraw/zinc/50/23/63/983502363.db2.gz AQHNJJWOIJLKFL-UHFFFAOYSA-N 1 0 404.518 3.565 20 30 HHEDRO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706648 983510102 /nfs/dbraw/zinc/51/01/02/983510102.db2.gz WGKYAAGASCANNE-DYESRHJHSA-N 1 0 408.550 3.890 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@@H]12 ZINC000439979705 983603574 /nfs/dbraw/zinc/60/35/74/983603574.db2.gz MOYUVZABGIVWMC-WAARBJQMSA-N 1 0 416.591 3.742 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000440048988 983625179 /nfs/dbraw/zinc/62/51/79/983625179.db2.gz WDHSWJZWXHOBKC-SIKLNZKXSA-N 1 0 421.541 3.701 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@]2(CO)CCCc3ccccc32)ccc1Cl ZINC000440813694 983917994 /nfs/dbraw/zinc/91/79/94/983917994.db2.gz BMIZLJOWGBCOSS-QHCPKHFHSA-N 1 0 411.933 3.709 20 30 HHEDRO CCCCNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)CCCCC1 ZINC000440896674 983958018 /nfs/dbraw/zinc/95/80/18/983958018.db2.gz SJJNWVHJJJHXNV-UHFFFAOYSA-N 1 0 412.578 3.759 20 30 HHEDRO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccccc21 ZINC000441143047 984089049 /nfs/dbraw/zinc/08/90/49/984089049.db2.gz USCIKZXKTHENOB-LJQANCHMSA-N 1 0 423.538 3.600 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441204554 984114385 /nfs/dbraw/zinc/11/43/85/984114385.db2.gz NIYYDRDEBAPDRC-WOJBJXKFSA-N 1 0 424.545 3.695 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441272571 984152126 /nfs/dbraw/zinc/15/21/26/984152126.db2.gz AEXCSSYEHDDYQM-ZACQAIPSSA-N 1 0 401.576 3.964 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000441388979 984224980 /nfs/dbraw/zinc/22/49/80/984224980.db2.gz UEDINCIMLIULFH-CZUORRHYSA-N 1 0 410.331 3.911 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000441388977 984225068 /nfs/dbraw/zinc/22/50/68/984225068.db2.gz UEDINCIMLIULFH-CJNGLKHVSA-N 1 0 410.331 3.911 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441401835 984232786 /nfs/dbraw/zinc/23/27/86/984232786.db2.gz GRRFRIIINIQKER-OPYAIIAOSA-N 1 0 412.603 3.968 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000441405301 984234754 /nfs/dbraw/zinc/23/47/54/984234754.db2.gz AEPHUOVGEDCDOD-MSOLQXFVSA-N 1 0 416.591 3.648 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000441411919 984237981 /nfs/dbraw/zinc/23/79/81/984237981.db2.gz OGNVIQPHJHKRPV-UWJYYQICSA-N 1 0 400.954 3.535 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000441420268 984241686 /nfs/dbraw/zinc/24/16/86/984241686.db2.gz YYDBTXJSIWXWQF-PGRDOPGGSA-N 1 0 414.981 3.844 20 30 HHEDRO C=CCC[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441506510 984292611 /nfs/dbraw/zinc/29/26/11/984292611.db2.gz PATOFTOJFCDJBH-LJQANCHMSA-N 1 0 413.484 3.716 20 30 HHEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000441605785 984352288 /nfs/dbraw/zinc/35/22/88/984352288.db2.gz UVBVKGGVTYPBOH-SFHVURJKSA-N 1 0 424.467 3.532 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000461838573 984844635 /nfs/dbraw/zinc/84/46/35/984844635.db2.gz ZPSVSHQRJVGLKM-NYVOZVTQSA-N 1 0 422.577 3.552 20 30 HHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)CC1 ZINC000461859271 984879925 /nfs/dbraw/zinc/87/99/25/984879925.db2.gz WGVQGKFPABMFJB-JOCHJYFZSA-N 1 0 422.577 3.696 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000461994484 984975962 /nfs/dbraw/zinc/97/59/62/984975962.db2.gz NTCIFWZZYBAWQY-UHFFFAOYSA-N 1 0 402.498 3.719 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000462023975 985002305 /nfs/dbraw/zinc/00/23/05/985002305.db2.gz ACRQFUBUTXHJEZ-MSOLQXFVSA-N 1 0 408.521 3.820 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190525 985172801 /nfs/dbraw/zinc/17/28/01/985172801.db2.gz LXHYKBOFEZWFQB-WZONZLPQSA-N 1 0 412.493 3.996 20 30 HHEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2Cc2ccc(I)cc2)C1 ZINC000442871255 985252848 /nfs/dbraw/zinc/25/28/48/985252848.db2.gz HTXZXCOYKKLCMJ-KBAYOESNSA-N 1 0 409.315 3.537 20 30 HHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)Cc1c[nH]c2ccccc12 ZINC000442873945 985254582 /nfs/dbraw/zinc/25/45/82/985254582.db2.gz AIZOXTJWPNOHQG-UHFFFAOYSA-N 1 0 421.545 3.955 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1cccs1 ZINC000462304673 985290669 /nfs/dbraw/zinc/29/06/69/985290669.db2.gz XTNDNEQUYSSVBK-FZKQIMNGSA-N 1 0 409.964 3.635 20 30 HHEDRO COc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000462483466 985439579 /nfs/dbraw/zinc/43/95/79/985439579.db2.gz LXBJFDBYBVGXOU-XMSQKQJNSA-N 1 0 406.530 3.761 20 30 HHEDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000462606458 985550114 /nfs/dbraw/zinc/55/01/14/985550114.db2.gz PQHVFGNKCVYVST-OAQYLSRUSA-N 1 0 420.513 3.838 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000468104240 985765223 /nfs/dbraw/zinc/76/52/23/985765223.db2.gz YQFOFFYSISIDLZ-UHFFFAOYSA-N 1 0 407.558 3.731 20 30 HHEDRO C[N@H+](CCNC(=O)C1CCN(c2ccc(Cl)cc2C#N)CC1)Cc1ccccc1 ZINC000462911070 985842804 /nfs/dbraw/zinc/84/28/04/985842804.db2.gz NBXBYOYMEBVJOO-UHFFFAOYSA-N 1 0 410.949 3.676 20 30 HHEDRO Cc1oc2ccccc2c1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000468166793 985845229 /nfs/dbraw/zinc/84/52/29/985845229.db2.gz BWUMUWZEVAMPRL-UHFFFAOYSA-N 1 0 404.514 3.929 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+](C)C ZINC000443845578 986048058 /nfs/dbraw/zinc/04/80/58/986048058.db2.gz SGZMMJINGTXBIM-UWJYYQICSA-N 1 0 424.570 3.747 20 30 HHEDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(OCc4ccccc4C#N)c3)C2)n(C)n1 ZINC000444012525 986207661 /nfs/dbraw/zinc/20/76/61/986207661.db2.gz VGNAHYCJHPYDDS-HSZRJFAPSA-N 1 0 415.541 3.938 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1)C(C)C ZINC000444097674 986295913 /nfs/dbraw/zinc/29/59/13/986295913.db2.gz CPRBOGTZMKMCCR-NRFANRHFSA-N 1 0 403.548 3.627 20 30 HHEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463363130 986329487 /nfs/dbraw/zinc/32/94/87/986329487.db2.gz WOSMWFYPVFMDNI-OAHLLOKOSA-N 1 0 419.319 3.812 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@](CO)(c4ccccc4)C3)sc2C1 ZINC000463429438 986399810 /nfs/dbraw/zinc/39/98/10/986399810.db2.gz JLJJDGGSAMKOBW-XDHUDOTRSA-N 1 0 423.582 3.709 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463438984 986415618 /nfs/dbraw/zinc/41/56/18/986415618.db2.gz XUGHGSWRYVEFNW-GBXCKJPGSA-N 1 0 412.599 3.968 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000463440867 986419091 /nfs/dbraw/zinc/41/90/91/986419091.db2.gz GOHKYIVDFUWUMW-SANMLTNESA-N 1 0 419.569 3.867 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000463442215 986420706 /nfs/dbraw/zinc/42/07/06/986420706.db2.gz KNVFXHPRZUYCHS-BWKNWUBXSA-N 1 0 405.542 3.575 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000463496069 986471565 /nfs/dbraw/zinc/47/15/65/986471565.db2.gz FLAJUCBXPIGTMN-QFIPXVFZSA-N 1 0 410.514 3.836 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000444382666 986557964 /nfs/dbraw/zinc/55/79/64/986557964.db2.gz MBISMCXOJUMNFB-UHFFFAOYSA-N 1 0 409.987 3.592 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468960726 986664309 /nfs/dbraw/zinc/66/43/09/986664309.db2.gz MYWHZWMYOFWOKX-UHFFFAOYSA-N 1 0 404.514 3.815 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000444544450 986733946 /nfs/dbraw/zinc/73/39/46/986733946.db2.gz HKGDGAZDWSTFAC-SFHVURJKSA-N 1 0 407.514 3.576 20 30 HHEDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)s1 ZINC000469045896 986755604 /nfs/dbraw/zinc/75/56/04/986755604.db2.gz PAJHTCYLCMFGRE-UHFFFAOYSA-N 1 0 412.536 3.892 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000463771545 986762107 /nfs/dbraw/zinc/76/21/07/986762107.db2.gz VDXIHCZGKYOYLC-UHFFFAOYSA-N 1 0 400.544 3.964 20 30 HHEDRO CC(C)(C#N)CCCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000444651151 986833967 /nfs/dbraw/zinc/83/39/67/986833967.db2.gz OAGSMLCRCUPXNU-UHFFFAOYSA-N 1 0 421.383 3.725 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H](C)C1 ZINC000469138481 986858284 /nfs/dbraw/zinc/85/82/84/986858284.db2.gz WNGPHKJAHZGBCI-KNQAVFIVSA-N 1 0 412.578 3.818 20 30 HHEDRO CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000469230868 986951602 /nfs/dbraw/zinc/95/16/02/986951602.db2.gz SIVYBQFGXFCOEG-NRFANRHFSA-N 1 0 400.482 3.950 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469231691 986952105 /nfs/dbraw/zinc/95/21/05/986952105.db2.gz JTKQXVSTYMOXAO-LAUBAEHRSA-N 1 0 400.482 3.996 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444826176 986981994 /nfs/dbraw/zinc/98/19/94/986981994.db2.gz YNBQPWZQQBJVCN-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCCC1)C(=O)NC1(C#N)CCC1 ZINC000469310845 987022778 /nfs/dbraw/zinc/02/27/78/987022778.db2.gz OZGIIPIGIPECLN-HNNXBMFYSA-N 1 0 404.352 3.801 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000469322522 987032513 /nfs/dbraw/zinc/03/25/13/987032513.db2.gz QJNDADGTZXGPFV-SFHVURJKSA-N 1 0 408.571 3.938 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338125 987044923 /nfs/dbraw/zinc/04/49/23/987044923.db2.gz NAVBPZPJSGIUJX-WMZHIEFXSA-N 1 0 417.557 3.987 20 30 HHEDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000445160027 987248768 /nfs/dbraw/zinc/24/87/68/987248768.db2.gz RWFWDCMPNKSBEN-UHFFFAOYSA-N 1 0 411.937 3.670 20 30 HHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000469747668 987398739 /nfs/dbraw/zinc/39/87/39/987398739.db2.gz CETUEZQLPCJICA-AWEZNQCLSA-N 1 0 408.340 3.793 20 30 HHEDRO Cc1ccn(-c2ccccc2NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000469851452 987488535 /nfs/dbraw/zinc/48/85/35/987488535.db2.gz LHUBEPXHBRSJDT-UHFFFAOYSA-N 1 0 414.513 3.792 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000469869723 987507698 /nfs/dbraw/zinc/50/76/98/987507698.db2.gz FUPLILRWCYCNFJ-DEOSSOPVSA-N 1 0 421.541 3.515 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)C[C@H](CC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000470020300 987630962 /nfs/dbraw/zinc/63/09/62/987630962.db2.gz XNDSMAMVMOSRTG-BJKOFHAPSA-N 1 0 404.558 3.569 20 30 HHEDRO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000470030901 987642932 /nfs/dbraw/zinc/64/29/32/987642932.db2.gz RPOYYQYKTAOLKN-ZEQRLZLVSA-N 1 0 420.557 3.860 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000445814017 987875599 /nfs/dbraw/zinc/87/55/99/987875599.db2.gz QAIQVQDPWXPTMR-UHFFFAOYSA-N 1 0 404.539 3.810 20 30 HHEDRO N#Cc1cc(F)c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c(F)c1 ZINC000445825192 987894101 /nfs/dbraw/zinc/89/41/01/987894101.db2.gz RGWYGJWFRQHXHB-UHFFFAOYSA-N 1 0 412.440 3.903 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000470160947 988072520 /nfs/dbraw/zinc/07/25/20/988072520.db2.gz JOOMGXJSCYWZDW-SFHVURJKSA-N 1 0 408.399 3.818 20 30 HHEDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463967341 988079743 /nfs/dbraw/zinc/07/97/43/988079743.db2.gz VOPKOCKUYPFAKP-UHFFFAOYSA-N 1 0 407.474 3.823 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000470532665 988536291 /nfs/dbraw/zinc/53/62/91/988536291.db2.gz YARMKSDTDIDVQW-ZEQRLZLVSA-N 1 0 402.542 3.740 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+]1CCC(C)CC1 ZINC000470533449 988536975 /nfs/dbraw/zinc/53/69/75/988536975.db2.gz UKILZWGNHHKJOD-GOSISDBHSA-N 1 0 411.550 3.511 20 30 HHEDRO COc1ccc([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000470728673 988758604 /nfs/dbraw/zinc/75/86/04/988758604.db2.gz WZPBXWVYYXIRLV-VWNXMTODSA-N 1 0 416.525 3.593 20 30 HHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470881320 988951307 /nfs/dbraw/zinc/95/13/07/988951307.db2.gz AAMYNUWQXXMVHN-NRFANRHFSA-N 1 0 404.539 3.736 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464829318 989068225 /nfs/dbraw/zinc/06/82/25/989068225.db2.gz FUIIKFYLDQMHIR-JTHBVZDNSA-N 1 0 404.558 3.776 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464837780 989081225 /nfs/dbraw/zinc/08/12/25/989081225.db2.gz ULGPDDCSYSGELX-FCHUYYIVSA-N 1 0 404.558 3.918 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471032872 989105616 /nfs/dbraw/zinc/10/56/16/989105616.db2.gz ZDNPLXSTIBZAGH-FFZOFVMBSA-N 1 0 408.933 3.602 20 30 HHEDRO C[C@H](Oc1cnc2ccccc2c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000471109951 989211278 /nfs/dbraw/zinc/21/12/78/989211278.db2.gz JUDZLHSGOWVPPK-IBGZPJMESA-N 1 0 414.509 3.677 20 30 HHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1O ZINC000471168724 989294093 /nfs/dbraw/zinc/29/40/93/989294093.db2.gz KQAQMIAHAPIJMW-CQSZACIVSA-N 1 0 413.543 3.919 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000471228043 989371786 /nfs/dbraw/zinc/37/17/86/989371786.db2.gz RKYKNUKUEBONKU-FDDCHVKYSA-N 1 0 421.589 3.626 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)C2)n1 ZINC000471257768 989405477 /nfs/dbraw/zinc/40/54/77/989405477.db2.gz IXLOYFXXZLOEMS-QFIPXVFZSA-N 1 0 417.557 3.755 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000471280336 989434199 /nfs/dbraw/zinc/43/41/99/989434199.db2.gz RYLMPBGIXMILIE-QGZVFWFLSA-N 1 0 400.429 3.803 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000471287874 989445362 /nfs/dbraw/zinc/44/53/62/989445362.db2.gz LNZBICSHVZVQPV-OAQYLSRUSA-N 1 0 415.493 3.982 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000471289395 989447166 /nfs/dbraw/zinc/44/71/66/989447166.db2.gz WIIBCPAVLORGMN-FQEVSTJZSA-N 1 0 408.571 3.609 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)C2)n1 ZINC000471467931 989661392 /nfs/dbraw/zinc/66/13/92/989661392.db2.gz QDIMSWPCLTXEGV-REWPJTCUSA-N 1 0 419.573 3.505 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471526593 989726241 /nfs/dbraw/zinc/72/62/41/989726241.db2.gz FXLYNXQYIHLFTI-HXUWFJFHSA-N 1 0 408.571 3.613 20 30 HHEDRO COc1cccc([C@H](CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[NH+](C)C)c1 ZINC000465435976 989781415 /nfs/dbraw/zinc/78/14/15/989781415.db2.gz UOADNKDCLJVZJG-ZRBLBEILSA-N 1 0 406.530 3.779 20 30 HHEDRO COc1cccc([C@H](CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[NH+](C)C)c1 ZINC000465435969 989781571 /nfs/dbraw/zinc/78/15/71/989781571.db2.gz UOADNKDCLJVZJG-VABKMULXSA-N 1 0 406.530 3.779 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000471580685 989784166 /nfs/dbraw/zinc/78/41/66/989784166.db2.gz KBELVAFHQSQXEW-DEOSSOPVSA-N 1 0 421.541 3.710 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000471768940 989959112 /nfs/dbraw/zinc/95/91/12/989959112.db2.gz GMQUZTRYACLOCI-FQEVSTJZSA-N 1 0 423.557 3.754 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000471791081 989977613 /nfs/dbraw/zinc/97/76/13/989977613.db2.gz UXBVSWYSHXPMGM-RPWUZVMVSA-N 1 0 400.526 3.830 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)C2)n1 ZINC000471864402 990036614 /nfs/dbraw/zinc/03/66/14/990036614.db2.gz RZAMXZISLQWDPT-KNQAVFIVSA-N 1 0 419.573 3.724 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000465878259 990994901 /nfs/dbraw/zinc/99/49/01/990994901.db2.gz PNLYLEGEXJDTHF-ORFBVSJDSA-N 1 0 410.562 3.812 20 30 HHEDRO COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466042180 991212078 /nfs/dbraw/zinc/21/20/78/991212078.db2.gz KDOJBIHIFJROPP-ZCYQVOJMSA-N 1 0 418.541 3.514 20 30 HHEDRO Cc1csc([C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)n1 ZINC000466104407 991283160 /nfs/dbraw/zinc/28/31/60/991283160.db2.gz ZAONWIGESDAQFB-HXUWFJFHSA-N 1 0 409.559 3.692 20 30 HHEDRO Cc1cnc([C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)s1 ZINC000466113368 991290757 /nfs/dbraw/zinc/29/07/57/991290757.db2.gz BSVXCPUIDZODRP-FQEVSTJZSA-N 1 0 409.559 3.692 20 30 HHEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000466171586 991363716 /nfs/dbraw/zinc/36/37/16/991363716.db2.gz USOYGRLNOAAWLS-KRWDZBQOSA-N 1 0 414.937 3.752 20 30 HHEDRO Cc1cccc(O[C@@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466228240 991450620 /nfs/dbraw/zinc/45/06/20/991450620.db2.gz UZXKJNARLVVBOG-FQEVSTJZSA-N 1 0 406.530 3.552 20 30 HHEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Sc1ccccc1 ZINC000466321570 991576207 /nfs/dbraw/zinc/57/62/07/991576207.db2.gz YHVICRBLXJUKDO-LJQANCHMSA-N 1 0 408.571 3.956 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000466621669 991937655 /nfs/dbraw/zinc/93/76/55/991937655.db2.gz SUACFQYTYINCOA-OALUTQOASA-N 1 0 407.518 3.891 20 30 HHEDRO CC[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000466622496 991938359 /nfs/dbraw/zinc/93/83/59/991938359.db2.gz YVYZZXDETRFUSY-HXUWFJFHSA-N 1 0 407.518 3.723 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+]2CCCC2)cc1 ZINC000466625926 991941400 /nfs/dbraw/zinc/94/14/00/991941400.db2.gz NPZOESUQSGMVCJ-HXUWFJFHSA-N 1 0 423.517 3.731 20 30 HHEDRO N#Cc1cccc(CCNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000466815296 992124640 /nfs/dbraw/zinc/12/46/40/992124640.db2.gz KRNTUNOOFWTIIO-RUZDIDTESA-N 1 0 402.542 3.798 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939506 992250210 /nfs/dbraw/zinc/25/02/10/992250210.db2.gz RVQHYYJPJPTAAJ-HXOBKFHXSA-N 1 0 406.505 3.892 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)CC1 ZINC000467006541 992314965 /nfs/dbraw/zinc/31/49/65/992314965.db2.gz OYRIYJVKXBUQQV-UHFFFAOYSA-N 1 0 413.525 3.906 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(c2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000467030347 992338377 /nfs/dbraw/zinc/33/83/77/992338377.db2.gz ZZPDKOHIXWPNAN-UHFFFAOYSA-N 1 0 405.546 3.995 20 30 HHEDRO C[N@H+](CC[C@H]1CCCO1)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000467141112 992457694 /nfs/dbraw/zinc/45/76/94/992457694.db2.gz UWLNAZRPOFKOQE-LJQANCHMSA-N 1 0 406.530 3.667 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@H]1C ZINC000467148920 992465085 /nfs/dbraw/zinc/46/50/85/992465085.db2.gz NXHXDZZXPBBTQH-DYESRHJHSA-N 1 0 407.562 3.709 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C2CC[NH+](C(C)C)CC2)c1C#N ZINC000467191038 992514086 /nfs/dbraw/zinc/51/40/86/992514086.db2.gz JVWWBCDCAGEOBW-UHFFFAOYSA-N 1 0 407.562 3.709 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@@H]([NH+]3CCCC3)C2)c1C#N ZINC000472243978 993271761 /nfs/dbraw/zinc/27/17/61/993271761.db2.gz VPGSNTCHQGMYQB-HXUWFJFHSA-N 1 0 423.561 3.507 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472315005 993326835 /nfs/dbraw/zinc/32/68/35/993326835.db2.gz RKQRDZHWMBXVMA-IRLDBZIGSA-N 1 0 422.573 3.905 20 30 HHEDRO CN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472466494 993468539 /nfs/dbraw/zinc/46/85/39/993468539.db2.gz AKJFOCAJADBCBB-HXUWFJFHSA-N 1 0 408.571 3.837 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480855794 993728041 /nfs/dbraw/zinc/72/80/41/993728041.db2.gz IVIONZFHAMGODL-YADHBBJMSA-N 1 0 409.555 3.542 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480855792 993728416 /nfs/dbraw/zinc/72/84/16/993728416.db2.gz IVIONZFHAMGODL-FGZHOGPDSA-N 1 0 409.555 3.542 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000480894870 993753645 /nfs/dbraw/zinc/75/36/45/993753645.db2.gz GPVOOAZTCSAYOY-FZKQIMNGSA-N 1 0 411.449 3.547 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)CCO1 ZINC000472862057 993792548 /nfs/dbraw/zinc/79/25/48/993792548.db2.gz KQBBHTXGWIKCDB-HXUWFJFHSA-N 1 0 403.526 3.803 20 30 HHEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167708 993998160 /nfs/dbraw/zinc/99/81/60/993998160.db2.gz LWLSINLAXLOUFE-XGHQBKJUSA-N 1 0 422.598 3.936 20 30 HHEDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]1C ZINC000481183482 994014047 /nfs/dbraw/zinc/01/40/47/994014047.db2.gz BKJGMBVYALVLIT-WIRSXHRWSA-N 1 0 412.578 3.770 20 30 HHEDRO Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000473234427 994085974 /nfs/dbraw/zinc/08/59/74/994085974.db2.gz MJSSMYDLGVWTIH-JOCHJYFZSA-N 1 0 415.541 3.718 20 30 HHEDRO C[N@H+](Cc1ccccc1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000481307816 994124055 /nfs/dbraw/zinc/12/40/55/994124055.db2.gz JRLFXASRCRMSHI-UHFFFAOYSA-N 1 0 422.504 3.717 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)c1 ZINC000473389461 994244021 /nfs/dbraw/zinc/24/40/21/994244021.db2.gz MQHYAYUCYRGBGY-QFIPXVFZSA-N 1 0 404.514 3.530 20 30 HHEDRO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000473399266 994254220 /nfs/dbraw/zinc/25/42/20/994254220.db2.gz OZUVQUJTXUKPQG-HSZRJFAPSA-N 1 0 416.525 3.674 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cscc2C#N)cc1Cl ZINC000481500122 994332231 /nfs/dbraw/zinc/33/22/31/994332231.db2.gz VRAZKHLEINJJSF-UHFFFAOYSA-N 1 0 418.950 3.987 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000481547758 994379855 /nfs/dbraw/zinc/37/98/55/994379855.db2.gz XCTHNNHZRGFNQM-GHTZIAJQSA-N 1 0 400.567 3.903 20 30 HHEDRO COc1cc(C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000481579204 994418795 /nfs/dbraw/zinc/41/87/95/994418795.db2.gz OVIZRNNCTAQTPO-GOSISDBHSA-N 1 0 421.541 3.882 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000481664965 994525683 /nfs/dbraw/zinc/52/56/83/994525683.db2.gz ZGIPECHDLJQEFT-HSZRJFAPSA-N 1 0 409.555 3.900 20 30 HHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000481843160 994697735 /nfs/dbraw/zinc/69/77/35/994697735.db2.gz TUOVDFGWFGDDBB-UAGQMJEPSA-N 1 0 403.548 3.923 20 30 HHEDRO COc1ccc([C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000481911865 994784262 /nfs/dbraw/zinc/78/42/62/994784262.db2.gz STYSYYNMXMLZSA-LOSJGSFVSA-N 1 0 405.542 3.997 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)CSc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482009344 994914229 /nfs/dbraw/zinc/91/42/29/994914229.db2.gz KGADPWPCQNGYJM-JTHBVZDNSA-N 1 0 407.539 3.753 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)CSc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482009341 994914543 /nfs/dbraw/zinc/91/45/43/994914543.db2.gz KGADPWPCQNGYJM-FYYLOGMGSA-N 1 0 407.539 3.753 20 30 HHEDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473986339 994973806 /nfs/dbraw/zinc/97/38/06/994973806.db2.gz JLADEGWFUOTEQU-FGZHOGPDSA-N 1 0 417.513 3.901 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000482401609 995387828 /nfs/dbraw/zinc/38/78/28/995387828.db2.gz QTQXTWCEPFAYLH-HNNXBMFYSA-N 1 0 407.383 3.841 20 30 HHEDRO COc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000482528605 995537221 /nfs/dbraw/zinc/53/72/21/995537221.db2.gz GTDVDZWRBFIKOL-UHFFFAOYSA-N 1 0 407.514 3.771 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000482612565 995609982 /nfs/dbraw/zinc/60/99/82/995609982.db2.gz WLGGZCOIJOCQIY-OFNKIYASSA-N 1 0 406.505 3.893 20 30 HHEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)cc1OC ZINC000482826366 995775098 /nfs/dbraw/zinc/77/50/98/995775098.db2.gz KSZMLALNGXMBRS-QPPBQGQZSA-N 1 0 422.525 3.976 20 30 HHEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nnn1-c1ccccc1 ZINC000482889338 995820768 /nfs/dbraw/zinc/82/07/68/995820768.db2.gz MAEJXUPAICLPFD-QFBILLFUSA-N 1 0 404.493 3.906 20 30 HHEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000483003520 995913194 /nfs/dbraw/zinc/91/31/94/995913194.db2.gz HDWDBSIHEDOKOU-QHCPKHFHSA-N 1 0 412.509 3.934 20 30 HHEDRO C=CCc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000475101391 995922555 /nfs/dbraw/zinc/92/25/55/995922555.db2.gz CNUDMYLYKWEQBQ-QFIPXVFZSA-N 1 0 423.557 3.848 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1C#N ZINC000483265611 996070600 /nfs/dbraw/zinc/07/06/00/996070600.db2.gz UKSOUIODDCSPCU-UHFFFAOYSA-N 1 0 401.308 3.510 20 30 HHEDRO CCCOc1ccc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000483287640 996081967 /nfs/dbraw/zinc/08/19/67/996081967.db2.gz WTOSXCBULRMZRH-UHFFFAOYSA-N 1 0 417.513 3.996 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315046 996093751 /nfs/dbraw/zinc/09/37/51/996093751.db2.gz NAXBLZMQTVCCDK-GMAHTHKFSA-N 1 0 415.484 3.518 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483494255 996216689 /nfs/dbraw/zinc/21/66/89/996216689.db2.gz WCMZBLNNZFKCLO-ZCYQVOJMSA-N 1 0 416.569 3.920 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1C#N ZINC000475711247 996315551 /nfs/dbraw/zinc/31/55/51/996315551.db2.gz VQTCRFGHSAMFSJ-VWLOTQADSA-N 1 0 422.573 3.836 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)ccc1Br ZINC000475719093 996321496 /nfs/dbraw/zinc/32/14/96/996321496.db2.gz QWMXWVQOOSNCIN-UHFFFAOYSA-N 1 0 417.145 3.519 20 30 HHEDRO CN(C(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1(C#N)CCCCC1 ZINC000475727171 996326680 /nfs/dbraw/zinc/32/66/80/996326680.db2.gz MAUAKGDMZLZCKE-DEOSSOPVSA-N 1 0 408.590 3.659 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000484022135 996526556 /nfs/dbraw/zinc/52/65/56/996526556.db2.gz DLRPVVXAOACKNI-UHFFFAOYSA-N 1 0 400.454 3.564 20 30 HHEDRO CS[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1[NH+]1CCCC1 ZINC000484616792 996949960 /nfs/dbraw/zinc/94/99/60/996949960.db2.gz NEDZNAZOGGMNNQ-YVWKXTFCSA-N 1 0 418.632 3.531 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000484640399 996975293 /nfs/dbraw/zinc/97/52/93/996975293.db2.gz QIBANLJHYLSIRU-KRWDZBQOSA-N 1 0 405.527 3.869 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000476636968 997162516 /nfs/dbraw/zinc/16/25/16/997162516.db2.gz ZDILYAZOFOEJNL-QFIPXVFZSA-N 1 0 409.530 3.896 20 30 HHEDRO CC(C)(CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C[NH+]1CCCC1 ZINC000484836793 997202543 /nfs/dbraw/zinc/20/25/43/997202543.db2.gz RULUBKZRFANMAS-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1csc([C@H](C)OC)n1 ZINC000476824585 997383876 /nfs/dbraw/zinc/38/38/76/997383876.db2.gz RXSOBHDHOPOMKU-HNNXBMFYSA-N 1 0 407.609 3.949 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000477030168 997661861 /nfs/dbraw/zinc/66/18/61/997661861.db2.gz BPCFAWHOGBZXBN-UHFFFAOYSA-N 1 0 413.570 3.846 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OCC(F)(F)F)cc3)C2=O)cc1 ZINC000485281203 997677605 /nfs/dbraw/zinc/67/76/05/997677605.db2.gz BTAAKTQSQWQLKY-LJQANCHMSA-N 1 0 403.404 3.785 20 30 HHEDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068942 997716135 /nfs/dbraw/zinc/71/61/35/997716135.db2.gz KERBISIYRRYXMW-HJFSHJIFSA-N 1 0 415.584 3.867 20 30 HHEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000485324295 997737004 /nfs/dbraw/zinc/73/70/04/997737004.db2.gz WBBROHDBGPNDPP-OAQYLSRUSA-N 1 0 405.498 3.799 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)C2=O)cc1 ZINC000485344271 997763884 /nfs/dbraw/zinc/76/38/84/997763884.db2.gz ASKPJAGCBORXII-CAOCKLPOSA-N 1 0 414.553 3.650 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)C2=O)cc1 ZINC000485344273 997764225 /nfs/dbraw/zinc/76/42/25/997764225.db2.gz ASKPJAGCBORXII-HVCNVCAESA-N 1 0 414.553 3.650 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1F ZINC000477435546 998131993 /nfs/dbraw/zinc/13/19/93/998131993.db2.gz IEEVNFFLOZUXSC-UHFFFAOYSA-N 1 0 404.445 3.876 20 30 HHEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000485692736 998152686 /nfs/dbraw/zinc/15/26/86/998152686.db2.gz LXAINKNAYOYLIG-SFHVURJKSA-N 1 0 400.544 3.984 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718134 998187099 /nfs/dbraw/zinc/18/70/99/998187099.db2.gz CWSZFWMKZHGGEP-BVSLBCMMSA-N 1 0 413.468 3.801 20 30 HHEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000485821952 998288303 /nfs/dbraw/zinc/28/83/03/998288303.db2.gz OQUQCHKZHXQDLH-KRWDZBQOSA-N 1 0 402.947 3.924 20 30 HHEDRO CC(C)[C@@H]1CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC[N@@H+]1C ZINC000486238464 998668322 /nfs/dbraw/zinc/66/83/22/998668322.db2.gz BLDIGCIBNVZIQK-INIZCTEOSA-N 1 0 416.576 3.506 20 30 HHEDRO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1C#N ZINC000486428996 998763380 /nfs/dbraw/zinc/76/33/80/998763380.db2.gz DMGYWCKGFHMVJR-AUSIDOKSSA-N 1 0 401.470 3.566 20 30 HHEDRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)c1 ZINC000478229600 998834823 /nfs/dbraw/zinc/83/48/23/998834823.db2.gz JOPDHXGRYUILQD-OAQYLSRUSA-N 1 0 401.514 3.726 20 30 HHEDRO Cn1cc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478386346 998930747 /nfs/dbraw/zinc/93/07/47/998930747.db2.gz PSNNQIGTGMCXAS-UHFFFAOYSA-N 1 0 401.514 3.528 20 30 HHEDRO CC(C)([C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000487078626 999056708 /nfs/dbraw/zinc/05/67/08/999056708.db2.gz ZIFYTJRDLDROII-JOCHJYFZSA-N 1 0 412.484 3.980 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000487267397 999118712 /nfs/dbraw/zinc/11/87/12/999118712.db2.gz KKOKKXUACDZSAD-SIKLNZKXSA-N 1 0 408.542 3.829 20 30 HHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1O ZINC000487507267 999202264 /nfs/dbraw/zinc/20/22/64/999202264.db2.gz ISNSILIHHSDZMP-CQSZACIVSA-N 1 0 413.543 3.919 20 30 HHEDRO COc1ccc2nc(C)cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000479211411 999327811 /nfs/dbraw/zinc/32/78/11/999327811.db2.gz FKGINABOTSTHGD-UHFFFAOYSA-N 1 0 414.509 3.840 20 30 HHEDRO N#CC1(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000479219914 999331133 /nfs/dbraw/zinc/33/11/33/999331133.db2.gz RMNOPLMVYAZUEW-IBGZPJMESA-N 1 0 409.917 3.566 20 30 HHEDRO N#CC1(NC(=O)CCc2ccc(OC(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479238364 999339343 /nfs/dbraw/zinc/33/93/43/999339343.db2.gz CYBOUBLAWUAIJB-UHFFFAOYSA-N 1 0 413.468 3.895 20 30 HHEDRO N#CC1(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479250113 999346849 /nfs/dbraw/zinc/34/68/49/999346849.db2.gz SWRHYBAYLHVZPL-UHFFFAOYSA-N 1 0 419.916 3.814 20 30 HHEDRO CSc1ccc(O[C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479252047 999347517 /nfs/dbraw/zinc/34/75/17/999347517.db2.gz UMTAJBGOQMWFBE-SFHVURJKSA-N 1 0 409.555 3.850 20 30 HHEDRO N#CC1(NC(=O)c2cccc(OCC(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479275283 999359668 /nfs/dbraw/zinc/35/96/68/999359668.db2.gz JTSDPTPNTYJXGJ-UHFFFAOYSA-N 1 0 417.431 3.916 20 30 HHEDRO CC1CCN(c2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cn2)CC1 ZINC000479284658 999364911 /nfs/dbraw/zinc/36/49/11/999364911.db2.gz SVNIOQKRAWTEFM-UHFFFAOYSA-N 1 0 417.557 3.606 20 30 HHEDRO COc1ccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000479294246 999370087 /nfs/dbraw/zinc/37/00/87/999370087.db2.gz YTCVQDCSJSXXPE-UHFFFAOYSA-N 1 0 411.933 3.956 20 30 HHEDRO N#Cc1c(C#N)c(NC2CC[NH+](Cc3ccncc3)CC2)nc2c1CCCCCC2 ZINC000479368052 999406657 /nfs/dbraw/zinc/40/66/57/999406657.db2.gz UIMYPXRBXXUBHJ-UHFFFAOYSA-N 1 0 400.530 3.955 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)C2=O)cc1 ZINC000479452507 999424210 /nfs/dbraw/zinc/42/42/10/999424210.db2.gz IXXSTBJNHZITJW-LADGPHEKSA-N 1 0 411.509 3.512 20 30 HHEDRO Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479534290 999464631 /nfs/dbraw/zinc/46/46/31/999464631.db2.gz DCXJSDIBICDJKL-IBGZPJMESA-N 1 0 405.546 3.836 20 30 HHEDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488461296 999493827 /nfs/dbraw/zinc/49/38/27/999493827.db2.gz INZICGRBFNQBBC-VGSWGCGISA-N 1 0 419.529 3.540 20 30 HHEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466083 999496114 /nfs/dbraw/zinc/49/61/14/999496114.db2.gz PCJRELOWFCUXAL-WZONZLPQSA-N 1 0 418.541 3.789 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2=O)cc1 ZINC000488477807 999501054 /nfs/dbraw/zinc/50/10/54/999501054.db2.gz KDYAYUMZXAQRQY-WOJBJXKFSA-N 1 0 410.315 3.699 20 30 HHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488497501 999507910 /nfs/dbraw/zinc/50/79/10/999507910.db2.gz MCHUEGCPQXJRHA-MGPUTAFESA-N 1 0 401.432 3.899 20 30 HHEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488503739 999510180 /nfs/dbraw/zinc/51/01/80/999510180.db2.gz VCOJFBOHFTUNQI-MBSDFSHPSA-N 1 0 418.541 3.789 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c(C)c1C ZINC000488512086 999513349 /nfs/dbraw/zinc/51/33/49/999513349.db2.gz DQGPIYZEBCFTOF-ZHRRBRCNSA-N 1 0 422.598 3.997 20 30 HHEDRO CCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000479684523 999535950 /nfs/dbraw/zinc/53/59/50/999535950.db2.gz AWDUXZZBNBGYPU-RPWUZVMVSA-N 1 0 407.558 3.675 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)nc2)CC1 ZINC000479840891 999620351 /nfs/dbraw/zinc/62/03/51/999620351.db2.gz KIANVTHUMKUNDT-UHFFFAOYSA-N 1 0 413.481 3.750 20 30 HHEDRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC(F)F ZINC000480016235 999687566 /nfs/dbraw/zinc/68/75/66/999687566.db2.gz CQUCUGRQGWLYBL-UHFFFAOYSA-N 1 0 412.440 3.901 20 30 HHEDRO Cn1cc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000480026298 999692159 /nfs/dbraw/zinc/69/21/59/999692159.db2.gz ODJZZCXXIJUOPI-UHFFFAOYSA-N 1 0 402.498 3.797 20 30 HHEDRO N#Cc1c(C#N)c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc2c1CCCCCC2 ZINC000480085672 999713381 /nfs/dbraw/zinc/71/33/81/999713381.db2.gz YBQLZAYEJDPQIT-GOTSBHOMSA-N 1 0 407.562 3.664 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000480306138 999767553 /nfs/dbraw/zinc/76/75/53/999767553.db2.gz ABVODLOWSNRCEX-QFIPXVFZSA-N 1 0 406.530 3.635 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C)C(C)C ZINC000480541402 999821953 /nfs/dbraw/zinc/82/19/53/999821953.db2.gz LKYBHJOTRZTMRB-UYAOXDASSA-N 1 0 414.598 3.721 20 30 HHEDRO C=C(C)[C@@H]([NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000480702466 999863513 /nfs/dbraw/zinc/86/35/13/999863513.db2.gz WLBNDTNAYYCLRG-YCRPNKLZSA-N 1 0 408.489 3.752 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)CCO1 ZINC000489982376 999872859 /nfs/dbraw/zinc/87/28/59/999872859.db2.gz OZWJTOOXDWNFLX-GOSISDBHSA-N 1 0 405.498 3.676 20 30 HHEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)cc1 ZINC000490058060 999886807 /nfs/dbraw/zinc/88/68/07/999886807.db2.gz FKUHJIHVWJFUJX-NNWRFLSQSA-N 1 0 422.598 3.643 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000490374585 999947163 /nfs/dbraw/zinc/94/71/63/999947163.db2.gz SVMUGGIPIZQTEF-NQIIRXRSSA-N 1 0 406.530 3.635 20 30 HHEDRO CC[NH+]1CCN(c2ccccc2NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000490377020 999947657 /nfs/dbraw/zinc/94/76/57/999947657.db2.gz WBTSXLRHASABIJ-UHFFFAOYSA-N 1 0 400.530 3.713 20 30 HHEDRO C=C(C)CN1CCC([NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491036573 1000037811 /nfs/dbraw/zinc/03/78/11/1000037811.db2.gz MQOHFCXGSZSUGQ-HSZRJFAPSA-N 1 0 416.562 3.949 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000491091277 1000044580 /nfs/dbraw/zinc/04/45/80/1000044580.db2.gz OMSYEZYPRVZWFH-QGZVFWFLSA-N 1 0 403.546 3.658 20 30 HHEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)nc1 ZINC000491151040 1000050697 /nfs/dbraw/zinc/05/06/97/1000050697.db2.gz WKJOUMCQUWSOQX-HXUWFJFHSA-N 1 0 414.513 3.513 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](CO)C(C)C)cc1 ZINC000491397958 1000071538 /nfs/dbraw/zinc/07/15/38/1000071538.db2.gz RSNRECJDYBSJMA-OAQYLSRUSA-N 1 0 415.921 3.678 20 30 HHEDRO C=CCc1cc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc(OC)c1O ZINC000492103084 1000109731 /nfs/dbraw/zinc/10/97/31/1000109731.db2.gz HDSDYQZNIFOPPD-QGZVFWFLSA-N 1 0 410.283 3.854 20 30 HHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@H]2C1 ZINC000492183099 1000114257 /nfs/dbraw/zinc/11/42/57/1000114257.db2.gz XZQWOULPRJSGHW-RXVVDRJESA-N 1 0 408.477 3.834 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000493806252 1000194527 /nfs/dbraw/zinc/19/45/27/1000194527.db2.gz FHQZQHHURYPDOF-SFHVURJKSA-N 1 0 400.350 3.757 20 30 HHEDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)cc1 ZINC000504492257 1000232076 /nfs/dbraw/zinc/23/20/76/1000232076.db2.gz DDTYJSKMQYAZNM-AZUAARDMSA-N 1 0 407.514 3.828 20 30 HHEDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)cc1 ZINC000504492259 1000232104 /nfs/dbraw/zinc/23/21/04/1000232104.db2.gz DDTYJSKMQYAZNM-QUCCMNQESA-N 1 0 407.514 3.828 20 30 HHEDRO N#CC1(NC(=O)c2ccc([C@H]3CCCOC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000504531767 1000254213 /nfs/dbraw/zinc/25/42/13/1000254213.db2.gz DHZQUJJKBBKHKX-QHCPKHFHSA-N 1 0 403.526 3.869 20 30 HHEDRO Cc1cc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000504548047 1000263712 /nfs/dbraw/zinc/26/37/12/1000263712.db2.gz PLJMWXLTYPJJAN-WOJBJXKFSA-N 1 0 413.525 3.787 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)cc1OC ZINC000504568291 1000274171 /nfs/dbraw/zinc/27/41/71/1000274171.db2.gz MFBSLICJEXXVPB-BFUOFWGJSA-N 1 0 412.324 3.654 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)Cc2cccc(F)c2)sc2c1CCCCC2 ZINC000494230783 1000375241 /nfs/dbraw/zinc/37/52/41/1000375241.db2.gz MUUARMJIFHWTLL-UHFFFAOYSA-N 1 0 415.534 3.851 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000494252466 1000390517 /nfs/dbraw/zinc/39/05/17/1000390517.db2.gz YINOAGUGPBYMQC-JWQCQUIFSA-N 1 0 419.569 3.924 20 30 HHEDRO N#Cc1ccc(C2=CCN(C(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)CC2)cc1 ZINC000504835015 1000392883 /nfs/dbraw/zinc/39/28/83/1000392883.db2.gz IDDGCFWSTOTYQC-UHFFFAOYSA-N 1 0 422.573 3.640 20 30 HHEDRO C[C@H](CNC(=O)NCCSCc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000504913608 1000445124 /nfs/dbraw/zinc/44/51/24/1000445124.db2.gz GOODONAPKOAWQS-GOSISDBHSA-N 1 0 408.571 3.537 20 30 HHEDRO C=CCCc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000505010725 1000504348 /nfs/dbraw/zinc/50/43/48/1000504348.db2.gz LDWDTGFEFXTQIC-JOCHJYFZSA-N 1 0 420.557 3.824 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494465303 1000506233 /nfs/dbraw/zinc/50/62/33/1000506233.db2.gz AXBNPDNDLLEAMW-DLPLYFIVSA-N 1 0 417.431 3.859 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000494476006 1000513038 /nfs/dbraw/zinc/51/30/38/1000513038.db2.gz UFOLCKZMKZXFTP-MONBJTKQSA-N 1 0 419.468 3.561 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000494480257 1000515909 /nfs/dbraw/zinc/51/59/09/1000515909.db2.gz SIANXOWOSPVEJF-AWEZNQCLSA-N 1 0 416.447 3.608 20 30 HHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000494642651 1000585879 /nfs/dbraw/zinc/58/58/79/1000585879.db2.gz KDPACXURIHBSTJ-HXUWFJFHSA-N 1 0 422.554 3.657 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1(c3cc(F)cc(C#N)c3)CC1)c1ccccc1O2 ZINC000505295698 1000679781 /nfs/dbraw/zinc/67/97/81/1000679781.db2.gz LRVBJXOWZGELDY-OAQYLSRUSA-N 1 0 419.500 3.833 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000505542353 1000889324 /nfs/dbraw/zinc/88/93/24/1000889324.db2.gz HYWZUJSSNQMMRZ-UHFFFAOYSA-N 1 0 410.518 3.951 20 30 HHEDRO Cc1cc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)ccc1Br ZINC000495258511 1000941046 /nfs/dbraw/zinc/94/10/46/1000941046.db2.gz CFSSATSUJXPTBR-UHFFFAOYSA-N 1 0 417.351 3.593 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000495428283 1001009487 /nfs/dbraw/zinc/00/94/87/1001009487.db2.gz WJXGSQYWTLPGAX-FQEVSTJZSA-N 1 0 408.502 3.924 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 ZINC000505778460 1001019068 /nfs/dbraw/zinc/01/90/68/1001019068.db2.gz SGTCWCQNYJMTOO-UUOWRZLLSA-N 1 0 413.562 3.939 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000505789198 1001024635 /nfs/dbraw/zinc/02/46/35/1001024635.db2.gz ZZLYZGCADWECMH-HOYKHHGWSA-N 1 0 413.562 3.796 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1C#N ZINC000495847697 1001085855 /nfs/dbraw/zinc/08/58/55/1001085855.db2.gz HDCLGNIHPHOHEP-UHFFFAOYSA-N 1 0 407.514 3.802 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000505919861 1001101946 /nfs/dbraw/zinc/10/19/46/1001101946.db2.gz VXWOUNICAIOKEX-FPOVZHCZSA-N 1 0 413.562 3.839 20 30 HHEDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC000505937454 1001114199 /nfs/dbraw/zinc/11/41/99/1001114199.db2.gz YEFXECCLXSRONP-UHFFFAOYSA-N 1 0 413.525 3.694 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000496125492 1001128184 /nfs/dbraw/zinc/12/81/84/1001128184.db2.gz BUXSVVGBBLMQIW-TZIWHRDSSA-N 1 0 421.541 3.607 20 30 HHEDRO Cc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)nn1-c1cccc(C#N)c1 ZINC000506206783 1001278586 /nfs/dbraw/zinc/27/85/86/1001278586.db2.gz MZUYOYIBOBILEZ-UHFFFAOYSA-N 1 0 419.554 3.756 20 30 HHEDRO CCC[N@H+](C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccc(Cl)cc1 ZINC000506214568 1001282627 /nfs/dbraw/zinc/28/26/27/1001282627.db2.gz KADJBUARBVAEDX-HXUWFJFHSA-N 1 0 412.921 3.658 20 30 HHEDRO CCC[N@H+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccc(Cl)cc1 ZINC000506227146 1001291728 /nfs/dbraw/zinc/29/17/28/1001291728.db2.gz NWMJKEAIPISXEB-HXUWFJFHSA-N 1 0 412.921 3.658 20 30 HHEDRO COc1ccc(OC(F)F)c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000506249841 1001306660 /nfs/dbraw/zinc/30/66/60/1001306660.db2.gz VTISZTYUIPZZJF-UHFFFAOYSA-N 1 0 401.457 3.876 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000497372751 1001317284 /nfs/dbraw/zinc/31/72/84/1001317284.db2.gz URZKQFIPXCBODU-FHWLQOOXSA-N 1 0 405.608 3.668 20 30 HHEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1Cl ZINC000497442694 1001367752 /nfs/dbraw/zinc/36/77/52/1001367752.db2.gz OLFAYMZAOHZEGX-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)nn1-c1cccc(C#N)c1 ZINC000506470395 1001426905 /nfs/dbraw/zinc/42/69/05/1001426905.db2.gz MCXDBJPKLCRJKE-UHFFFAOYSA-N 1 0 423.904 3.899 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC3CC[NH+](CC4CCCC4)CC3)CC2)cc1 ZINC000497566105 1001438123 /nfs/dbraw/zinc/43/81/23/1001438123.db2.gz KSOYZEPIADBRSX-UHFFFAOYSA-N 1 0 410.562 3.766 20 30 HHEDRO CC(C)Cn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C1CC1 ZINC000497640281 1001468573 /nfs/dbraw/zinc/46/85/73/1001468573.db2.gz WXZZGBFPCQBVQM-UHFFFAOYSA-N 1 0 408.550 3.884 20 30 HHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccn1 ZINC000497649542 1001472293 /nfs/dbraw/zinc/47/22/93/1001472293.db2.gz QMXICCVMEBVWCB-UHFFFAOYSA-N 1 0 416.481 3.725 20 30 HHEDRO CCOC(=O)c1c2ccccc2sc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000506973267 1001738412 /nfs/dbraw/zinc/73/84/12/1001738412.db2.gz ZTPAFKUYGQJKME-UHFFFAOYSA-N 1 0 402.520 3.777 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(C)C ZINC000498353687 1001791285 /nfs/dbraw/zinc/79/12/85/1001791285.db2.gz KGCRMWMNIWPHCQ-JOCHJYFZSA-N 1 0 412.578 3.745 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000498361809 1001795782 /nfs/dbraw/zinc/79/57/82/1001795782.db2.gz CJJCUUZVUZFJEM-FQEVSTJZSA-N 1 0 401.551 3.599 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000498390351 1001819095 /nfs/dbraw/zinc/81/90/95/1001819095.db2.gz NHXWUQWBCYQCKM-UHFFFAOYSA-N 1 0 422.476 3.655 20 30 HHEDRO COc1cccc([C@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)[NH+](C)C)c1 ZINC000507118576 1001819776 /nfs/dbraw/zinc/81/97/76/1001819776.db2.gz YSZATRYBUCXPGL-FQEVSTJZSA-N 1 0 412.440 3.853 20 30 HHEDRO N#Cc1ccc(Cl)c(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000507287740 1001971694 /nfs/dbraw/zinc/97/16/94/1001971694.db2.gz ZAFFPUKHXCZZOQ-FQEVSTJZSA-N 1 0 423.944 3.870 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000507307675 1001987907 /nfs/dbraw/zinc/98/79/07/1001987907.db2.gz YPKBVMLUPUWATB-WZONZLPQSA-N 1 0 405.583 3.751 20 30 HHEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000507421023 1002062704 /nfs/dbraw/zinc/06/27/04/1002062704.db2.gz KVRKVPLDGKNRPO-HNAYVOBHSA-N 1 0 408.458 3.711 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507539996 1002146679 /nfs/dbraw/zinc/14/66/79/1002146679.db2.gz XJOUHXGFGXRQHS-XMSQKQJNSA-N 1 0 420.532 3.865 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498831650 1002216573 /nfs/dbraw/zinc/21/65/73/1002216573.db2.gz HXYGCSWJIOKIMV-QHCPKHFHSA-N 1 0 410.606 3.994 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507638184 1002239703 /nfs/dbraw/zinc/23/97/03/1002239703.db2.gz ZKJGYLBBDXSOBD-UHFFFAOYSA-N 1 0 424.570 3.965 20 30 HHEDRO COc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccc1OCC(=O)N(C)C ZINC000507659796 1002257551 /nfs/dbraw/zinc/25/75/51/1002257551.db2.gz LGMQEFBKBPHNNB-UHFFFAOYSA-N 1 0 421.541 3.656 20 30 HHEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000507740420 1002320698 /nfs/dbraw/zinc/32/06/98/1002320698.db2.gz DMRFKDDSJZILKU-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCN1CC(F)F ZINC000498928516 1002325997 /nfs/dbraw/zinc/32/59/97/1002325997.db2.gz XWAIFNSRLLRLFL-HUUCEWRRSA-N 1 0 424.561 3.734 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000507787470 1002343989 /nfs/dbraw/zinc/34/39/89/1002343989.db2.gz FQVVODVNQVHJCN-OAQYLSRUSA-N 1 0 402.494 3.995 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Oc3ccc(C#N)cc3)CC1)CCC2 ZINC000507858359 1002394721 /nfs/dbraw/zinc/39/47/21/1002394721.db2.gz DVUGEJMMQPMAFE-UHFFFAOYSA-N 1 0 420.538 3.852 20 30 HHEDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499042609 1002422710 /nfs/dbraw/zinc/42/27/10/1002422710.db2.gz GOXIQKBHCOJKDN-JOCHJYFZSA-N 1 0 405.542 3.967 20 30 HHEDRO Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000507891092 1002424794 /nfs/dbraw/zinc/42/47/94/1002424794.db2.gz ZGJSURGLXNSMOH-PKTZIBPZSA-N 1 0 412.541 3.845 20 30 HHEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000499047523 1002428677 /nfs/dbraw/zinc/42/86/77/1002428677.db2.gz HIAQZQWFJUOXPF-ISKFKSNPSA-N 1 0 409.530 3.632 20 30 HHEDRO C=CCOc1cccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)c1 ZINC000507896041 1002429473 /nfs/dbraw/zinc/42/94/73/1002429473.db2.gz NCBOBFZGLXBRQG-UHFFFAOYSA-N 1 0 403.320 3.924 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSCc1ccc(Br)cc1F ZINC000499328666 1002733229 /nfs/dbraw/zinc/73/32/29/1002733229.db2.gz HIMDUALCZUUNTR-UHFFFAOYSA-N 1 0 416.360 3.515 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508465764 1002950915 /nfs/dbraw/zinc/95/09/15/1002950915.db2.gz RKVZUUVMIOGSJG-ROUUACIJSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508489509 1002972408 /nfs/dbraw/zinc/97/24/08/1002972408.db2.gz OBAJSXUPFPVBNL-LJQANCHMSA-N 1 0 404.562 3.935 20 30 HHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000508492659 1002975242 /nfs/dbraw/zinc/97/52/42/1002975242.db2.gz KCXWGKUIMSSQHE-QHCPKHFHSA-N 1 0 415.541 3.505 20 30 HHEDRO C=CCn1c(-c2ccccc2)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508507262 1002989094 /nfs/dbraw/zinc/98/90/94/1002989094.db2.gz HHAZMOXDRJSXIW-BGYRXZFFSA-N 1 0 409.578 3.847 20 30 HHEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508716948 1003157255 /nfs/dbraw/zinc/15/72/55/1003157255.db2.gz RPDXYEAGDROLHT-QUCCMNQESA-N 1 0 423.561 3.505 20 30 HHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508738538 1003176205 /nfs/dbraw/zinc/17/62/05/1003176205.db2.gz GUVVDNOSQSXNEA-DENIHFKCSA-N 1 0 407.562 3.805 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508740318 1003177690 /nfs/dbraw/zinc/17/76/90/1003177690.db2.gz PUCLRBWGWCBPGD-UHFFFAOYSA-N 1 0 404.356 3.860 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508744248 1003180737 /nfs/dbraw/zinc/18/07/37/1003180737.db2.gz CGQGAXRTSFLZJN-IBGZPJMESA-N 1 0 404.562 3.848 20 30 HHEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508748939 1003184389 /nfs/dbraw/zinc/18/43/89/1003184389.db2.gz TUZPGFKCPXSGLI-XMSQKQJNSA-N 1 0 423.561 3.505 20 30 HHEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508748929 1003184472 /nfs/dbraw/zinc/18/44/72/1003184472.db2.gz TUZPGFKCPXSGLI-AVRDEDQJSA-N 1 0 423.561 3.505 20 30 HHEDRO Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508750864 1003186331 /nfs/dbraw/zinc/18/63/31/1003186331.db2.gz UYIALUYJZOAFAY-UHFFFAOYSA-N 1 0 408.509 3.829 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508795216 1003223651 /nfs/dbraw/zinc/22/36/51/1003223651.db2.gz NETLSNLTFXWHKA-OFNKIYASSA-N 1 0 416.573 3.920 20 30 HHEDRO C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508842480 1003263180 /nfs/dbraw/zinc/26/31/80/1003263180.db2.gz XZFQAJFIXOQXKG-FQEVSTJZSA-N 1 0 408.594 3.585 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508845577 1003266695 /nfs/dbraw/zinc/26/66/95/1003266695.db2.gz OIOGIAZRFBHDNM-IBGZPJMESA-N 1 0 404.518 3.851 20 30 HHEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508884984 1003308881 /nfs/dbraw/zinc/30/88/81/1003308881.db2.gz LJMSIIJVZAESRF-UHFFFAOYSA-N 1 0 402.546 3.875 20 30 HHEDRO C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508908641 1003349246 /nfs/dbraw/zinc/34/92/46/1003349246.db2.gz VCVUEAODEUMFQG-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000508910314 1003350734 /nfs/dbraw/zinc/35/07/34/1003350734.db2.gz BMINYDPJRLWYMT-UHFFFAOYSA-N 1 0 402.546 3.935 20 30 HHEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508918165 1003356203 /nfs/dbraw/zinc/35/62/03/1003356203.db2.gz LPVUOCHMQREOLR-UHFFFAOYSA-N 1 0 418.501 3.670 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508938836 1003387458 /nfs/dbraw/zinc/38/74/58/1003387458.db2.gz NIWUFFPJDOHZJP-UHFFFAOYSA-N 1 0 409.578 3.713 20 30 HHEDRO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508960037 1003421797 /nfs/dbraw/zinc/42/17/97/1003421797.db2.gz IKXLEPOKCIJCJQ-UYAOXDASSA-N 1 0 423.561 3.601 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000508984748 1003455829 /nfs/dbraw/zinc/45/58/29/1003455829.db2.gz NILYLEOVGVLLHO-UHFFFAOYSA-N 1 0 416.312 3.717 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508999393 1003471061 /nfs/dbraw/zinc/47/10/61/1003471061.db2.gz PMKAKKKMRSVACP-OAQYLSRUSA-N 1 0 402.546 3.793 20 30 HHEDRO Cc1nc(SCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c(C)c1C ZINC000500438747 1003718064 /nfs/dbraw/zinc/71/80/64/1003718064.db2.gz RZWKOSPMMJOLDQ-UHFFFAOYSA-N 1 0 423.586 3.741 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511847256 1003825868 /nfs/dbraw/zinc/82/58/68/1003825868.db2.gz PXJCSDXOGAHLJY-HNAYVOBHSA-N 1 0 417.431 3.735 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cc1OCC ZINC000509420704 1003849161 /nfs/dbraw/zinc/84/91/61/1003849161.db2.gz ZQJGHXGQVDEDOZ-IRXDYDNUSA-N 1 0 423.351 3.656 20 30 HHEDRO Cc1c(C#N)cccc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000509427756 1003854238 /nfs/dbraw/zinc/85/42/38/1003854238.db2.gz AURCNQBAHABQRG-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000509553522 1003941251 /nfs/dbraw/zinc/94/12/51/1003941251.db2.gz HQJSQUPEJNHPSF-UYAOXDASSA-N 1 0 409.534 3.502 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509570989 1003951950 /nfs/dbraw/zinc/95/19/50/1003951950.db2.gz RGFSYNRPSGHCHI-LAUBAEHRSA-N 1 0 410.518 3.833 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)cc2)C1 ZINC000500823779 1003982434 /nfs/dbraw/zinc/98/24/34/1003982434.db2.gz VYBLBSFADQTXPK-KRWDZBQOSA-N 1 0 415.534 3.549 20 30 HHEDRO Fc1ccc(C(F)(F)F)cc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000512069628 1003998239 /nfs/dbraw/zinc/99/82/39/1003998239.db2.gz BEPZLRHBBOTWKC-UHFFFAOYSA-N 1 0 402.354 3.931 20 30 HHEDRO C=CCc1cc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1O ZINC000500913314 1004048096 /nfs/dbraw/zinc/04/80/96/1004048096.db2.gz BOISSKBCQISIEU-UHFFFAOYSA-N 1 0 419.319 3.929 20 30 HHEDRO CC(C)C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH2+][C@@H](C)c1ccccc1 ZINC000500916126 1004049826 /nfs/dbraw/zinc/04/98/26/1004049826.db2.gz FWKUNZOWMZTCCB-LAUBAEHRSA-N 1 0 417.550 3.882 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1nc(-c2ccccc2)no1 ZINC000512193830 1004094541 /nfs/dbraw/zinc/09/45/41/1004094541.db2.gz GCLJCYXQWQEBAI-UHFFFAOYSA-N 1 0 409.877 3.765 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000509785846 1004095386 /nfs/dbraw/zinc/09/53/86/1004095386.db2.gz JRBZYXYDIZTCGC-QFIPXVFZSA-N 1 0 410.493 3.553 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)NCCOc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509787634 1004097109 /nfs/dbraw/zinc/09/71/09/1004097109.db2.gz HTJYUZMECJUWTD-KNQAVFIVSA-N 1 0 406.530 3.537 20 30 HHEDRO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)c1 ZINC000501023412 1004126923 /nfs/dbraw/zinc/12/69/23/1004126923.db2.gz LMZPNGUJQMTTDQ-UHFFFAOYSA-N 1 0 417.550 3.939 20 30 HHEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512262389 1004164328 /nfs/dbraw/zinc/16/43/28/1004164328.db2.gz PNGHWXNDODRHDJ-HSZRJFAPSA-N 1 0 408.933 3.748 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000501079584 1004185409 /nfs/dbraw/zinc/18/54/09/1004185409.db2.gz LYYZHYSJFRBGJF-UHFFFAOYSA-N 1 0 401.530 3.953 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)CC(C)C ZINC000512311332 1004208563 /nfs/dbraw/zinc/20/85/63/1004208563.db2.gz ZKVLNZWMMAFFME-HXUWFJFHSA-N 1 0 402.558 3.786 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512399830 1004270962 /nfs/dbraw/zinc/27/09/62/1004270962.db2.gz BDZALPUIPBYKSM-DZGCQCFKSA-N 1 0 415.481 3.508 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1OCCCC#N ZINC000510022872 1004271671 /nfs/dbraw/zinc/27/16/71/1004271671.db2.gz HVMSIVQUKTUIBL-HXUWFJFHSA-N 1 0 408.502 3.774 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000501227190 1004296332 /nfs/dbraw/zinc/29/63/32/1004296332.db2.gz XODVRRCJEZQXRP-INIZCTEOSA-N 1 0 401.917 3.505 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)CCc2ccncc2)c1C#N ZINC000512481755 1004334102 /nfs/dbraw/zinc/33/41/02/1004334102.db2.gz XYPWURUHTQRJGL-UHFFFAOYSA-N 1 0 405.477 3.613 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)c1 ZINC000512617515 1004430348 /nfs/dbraw/zinc/43/03/48/1004430348.db2.gz MHNSAUILLDAVGC-UHFFFAOYSA-N 1 0 413.481 3.991 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccsc1 ZINC000510260032 1004431502 /nfs/dbraw/zinc/43/15/02/1004431502.db2.gz SZNFNTZRSHTBDP-OAQYLSRUSA-N 1 0 411.575 3.534 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NCCCCC[NH+]3CCCCC3)CC2)c(F)c1 ZINC000512667220 1004477191 /nfs/dbraw/zinc/47/71/91/1004477191.db2.gz BOMREMUOYSDMPX-UHFFFAOYSA-N 1 0 400.542 3.686 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512696225 1004500747 /nfs/dbraw/zinc/50/07/47/1004500747.db2.gz ZPATYSQRIDXHEH-ICSRJNTNSA-N 1 0 410.562 3.764 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000501551993 1004510140 /nfs/dbraw/zinc/51/01/40/1004510140.db2.gz OKYYRDLLECXPQR-CQSZACIVSA-N 1 0 406.305 3.824 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512755292 1004538633 /nfs/dbraw/zinc/53/86/33/1004538633.db2.gz IGJPNRXZANWMIB-FPOVZHCZSA-N 1 0 417.619 3.842 20 30 HHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000512777202 1004553760 /nfs/dbraw/zinc/55/37/60/1004553760.db2.gz AWZXRBFINXUZJO-LJQANCHMSA-N 1 0 416.529 3.578 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccco1 ZINC000510420440 1004554535 /nfs/dbraw/zinc/55/45/35/1004554535.db2.gz DKPKGADVCDONEL-IUODEOHRSA-N 1 0 415.437 3.578 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000512800713 1004566262 /nfs/dbraw/zinc/56/62/62/1004566262.db2.gz GTXNSZMKUPCAEE-QGZVFWFLSA-N 1 0 404.869 3.634 20 30 HHEDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812354 1004574933 /nfs/dbraw/zinc/57/49/33/1004574933.db2.gz SMMCNIDMCPMQAW-SFHVURJKSA-N 1 0 409.505 3.978 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501696932 1004615034 /nfs/dbraw/zinc/61/50/34/1004615034.db2.gz KMSXAYCDLJKFNK-REWPJTCUSA-N 1 0 411.590 3.608 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccccc3OCC(=O)N3CCCC3)CC2)c1 ZINC000510502091 1004623661 /nfs/dbraw/zinc/62/36/61/1004623661.db2.gz NEQPQYLOYPTJHX-UHFFFAOYSA-N 1 0 419.525 3.603 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000501714146 1004636522 /nfs/dbraw/zinc/63/65/22/1004636522.db2.gz AQSIVPGOSKIULY-UHFFFAOYSA-N 1 0 415.459 3.805 20 30 HHEDRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1=O ZINC000513035383 1004770662 /nfs/dbraw/zinc/77/06/62/1004770662.db2.gz HLKMIHNHNSBKLF-GOSISDBHSA-N 1 0 415.335 3.561 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501847123 1004773467 /nfs/dbraw/zinc/77/34/67/1004773467.db2.gz BSUBDXVRPWWGIU-QFIPXVFZSA-N 1 0 408.571 3.928 20 30 HHEDRO CC1CCC([NH+]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)CC1 ZINC000513103372 1004807727 /nfs/dbraw/zinc/80/77/27/1004807727.db2.gz ULOGQYVYVKKMDI-UHFFFAOYSA-N 1 0 410.497 3.611 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)c1 ZINC000510807072 1004865188 /nfs/dbraw/zinc/86/51/88/1004865188.db2.gz ALNKYBXQQZJZKY-NRFANRHFSA-N 1 0 408.502 3.541 20 30 HHEDRO CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000510905080 1004923605 /nfs/dbraw/zinc/92/36/05/1004923605.db2.gz NHPWDUMMCQHNKO-OTQYULQBSA-N 1 0 405.583 3.607 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ccccc3F)CC2)c(OC)c1 ZINC000513387051 1004937601 /nfs/dbraw/zinc/93/76/01/1004937601.db2.gz UVYFLMPNEKDCJH-FQEVSTJZSA-N 1 0 414.521 3.515 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)c1C#N ZINC000513417210 1004955666 /nfs/dbraw/zinc/95/56/66/1004955666.db2.gz UMCZLECFUIGDKL-OAHLLOKOSA-N 1 0 416.485 3.784 20 30 HHEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(OC)c1C(C)C ZINC000511018607 1004982395 /nfs/dbraw/zinc/98/23/95/1004982395.db2.gz TZVUOBWHGVQTEQ-UHFFFAOYSA-N 1 0 409.530 3.903 20 30 HHEDRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000513489221 1004987931 /nfs/dbraw/zinc/98/79/31/1004987931.db2.gz HGMOLAKIHKONNP-IBGZPJMESA-N 1 0 403.320 3.971 20 30 HHEDRO COC(=O)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1OC ZINC000513500659 1004992505 /nfs/dbraw/zinc/99/25/05/1004992505.db2.gz NVCZGLKHDOOGMJ-UHFFFAOYSA-N 1 0 404.470 3.549 20 30 HHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502341390 1005021536 /nfs/dbraw/zinc/02/15/36/1005021536.db2.gz MEKQUTDIWQPHKE-GOSISDBHSA-N 1 0 407.518 3.798 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c(OC)c1 ZINC000502348036 1005026562 /nfs/dbraw/zinc/02/65/62/1005026562.db2.gz XUWNLMHWRAWEJY-UHFFFAOYSA-N 1 0 400.563 3.962 20 30 HHEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)NCc4cccc(C#N)c4)CC3)c2c1 ZINC000513637386 1005060310 /nfs/dbraw/zinc/06/03/10/1005060310.db2.gz IHTVMFCLBODIRG-UHFFFAOYSA-N 1 0 402.498 3.544 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc(C#N)cs2)ccc1Cl ZINC000511184749 1005064246 /nfs/dbraw/zinc/06/42/46/1005064246.db2.gz FZTXUZZBAZPSGI-UHFFFAOYSA-N 1 0 404.923 3.597 20 30 HHEDRO COc1cc(C)c(C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000502414075 1005065737 /nfs/dbraw/zinc/06/57/37/1005065737.db2.gz IUYZNXIZKYKFFI-UTKZUKDTSA-N 1 0 407.514 3.600 20 30 HHEDRO Cc1cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000513705155 1005089633 /nfs/dbraw/zinc/08/96/33/1005089633.db2.gz OBSXWNMBOFTTOG-UWJYYQICSA-N 1 0 406.534 3.795 20 30 HHEDRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)nn1-c1cccc(C#N)c1 ZINC000502522937 1005100996 /nfs/dbraw/zinc/10/09/96/1005100996.db2.gz DJNRUZOTPGCIOS-UHFFFAOYSA-N 1 0 413.525 3.968 20 30 HHEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000502542249 1005110895 /nfs/dbraw/zinc/11/08/95/1005110895.db2.gz YDXBOVRBLHDCLS-UHFFFAOYSA-N 1 0 414.509 3.803 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)ccc1OCC(C)C ZINC000513783790 1005124807 /nfs/dbraw/zinc/12/48/07/1005124807.db2.gz FLFRINXCDYPIBR-KRWDZBQOSA-N 1 0 416.543 3.726 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)NCC#Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC000511420374 1005169081 /nfs/dbraw/zinc/16/90/81/1005169081.db2.gz JRUZJGYUYJIDFJ-JOCHJYFZSA-N 1 0 409.505 3.712 20 30 HHEDRO Cc1ccc2c(C[NH+]3CCN(c4c(C#N)cnc5ccccc54)CC3)ccc(O)c2n1 ZINC000513884244 1005172543 /nfs/dbraw/zinc/17/25/43/1005172543.db2.gz SWISINSHPPXVBC-UHFFFAOYSA-N 1 0 409.493 3.991 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513910783 1005183604 /nfs/dbraw/zinc/18/36/04/1005183604.db2.gz GGCFLZLPZBYRCQ-HXUWFJFHSA-N 1 0 424.932 3.567 20 30 HHEDRO C[C@@H]1CCC[C@H]([N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000513959649 1005203171 /nfs/dbraw/zinc/20/31/71/1005203171.db2.gz QUPXAWFSTHKLNF-XBFDIVRLSA-N 1 0 411.546 3.850 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000511701544 1005283158 /nfs/dbraw/zinc/28/31/58/1005283158.db2.gz HFFZXJHIKKPWAC-PZJWPPBQSA-N 1 0 421.541 3.607 20 30 HHEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000502959452 1005292800 /nfs/dbraw/zinc/29/28/00/1005292800.db2.gz ZCIQFMNKAXHUAO-UHFFFAOYSA-N 1 0 408.521 3.892 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c1 ZINC000502968230 1005296428 /nfs/dbraw/zinc/29/64/28/1005296428.db2.gz ZYNPFYONRGDKAV-UHFFFAOYSA-N 1 0 401.514 3.824 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511732022 1005296985 /nfs/dbraw/zinc/29/69/85/1005296985.db2.gz VJRANNWTHNANOU-JOCHJYFZSA-N 1 0 420.557 3.625 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000514179983 1005300371 /nfs/dbraw/zinc/30/03/71/1005300371.db2.gz UPRDPACOVGWOPV-JOCHJYFZSA-N 1 0 422.573 3.967 20 30 HHEDRO Cc1cc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)nn1-c1cccc(C#N)c1 ZINC000503068058 1005335854 /nfs/dbraw/zinc/33/58/54/1005335854.db2.gz WOTDNBFRPPETCP-UHFFFAOYSA-N 1 0 403.486 3.635 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000503069057 1005336348 /nfs/dbraw/zinc/33/63/48/1005336348.db2.gz PSRRNPJVRLUONO-UHFFFAOYSA-N 1 0 422.529 3.949 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000514320691 1005337362 /nfs/dbraw/zinc/33/73/62/1005337362.db2.gz SFNPIJZLQCZNCP-UNMCSNQZSA-N 1 0 424.541 3.514 20 30 HHEDRO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000503268699 1005380982 /nfs/dbraw/zinc/38/09/82/1005380982.db2.gz ZFUQIVZBOKLLSC-INIZCTEOSA-N 1 0 424.570 3.588 20 30 HHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000503280815 1005382952 /nfs/dbraw/zinc/38/29/52/1005382952.db2.gz NYEHMONVVOLOIB-FQEVSTJZSA-N 1 0 420.513 3.670 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503414453 1005413286 /nfs/dbraw/zinc/41/32/86/1005413286.db2.gz YFALXWQMRKJJPR-NCMKUFGYSA-N 1 0 411.594 3.718 20 30 HHEDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503520688 1005442568 /nfs/dbraw/zinc/44/25/68/1005442568.db2.gz IGXJHIYQDOBVSZ-KNQAVFIVSA-N 1 0 413.525 3.693 20 30 HHEDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503520687 1005442612 /nfs/dbraw/zinc/44/26/12/1005442612.db2.gz IGXJHIYQDOBVSZ-DENIHFKCSA-N 1 0 413.525 3.693 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000503690707 1005481100 /nfs/dbraw/zinc/48/11/00/1005481100.db2.gz RCWNEEYWNDBPCA-GOSISDBHSA-N 1 0 423.536 3.658 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](Cn3ccccc3=O)c3ccccc3)CC2)cc1 ZINC000503938203 1005515729 /nfs/dbraw/zinc/51/57/29/1005515729.db2.gz SFBZLODNBZIPRO-VWLOTQADSA-N 1 0 412.537 3.715 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccccc1I)C(C)C ZINC000503982222 1005525463 /nfs/dbraw/zinc/52/54/63/1005525463.db2.gz YYRCBQWGEXLTMQ-QGZVFWFLSA-N 1 0 412.315 3.720 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000504353689 1005604828 /nfs/dbraw/zinc/60/48/28/1005604828.db2.gz XWYFLPAEUKPZEP-DHIUTWEWSA-N 1 0 417.509 3.621 20 30 HHEDRO COc1ccc(C[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)cc1OCCCC#N ZINC000531164896 1006025160 /nfs/dbraw/zinc/02/51/60/1006025160.db2.gz JQLICUZZYYKGGV-UHFFFAOYSA-N 1 0 409.534 3.543 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)c1C#N ZINC000534063854 1006035148 /nfs/dbraw/zinc/03/51/48/1006035148.db2.gz PYXWXLIGFSWQFN-NFAYLAGKSA-N 1 0 409.456 3.521 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cc(F)ccc1F ZINC000514723664 1006092787 /nfs/dbraw/zinc/09/27/87/1006092787.db2.gz VNYFGBUVNZNKQG-UHFFFAOYSA-N 1 0 406.502 3.746 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534139742 1006119295 /nfs/dbraw/zinc/11/92/95/1006119295.db2.gz GGTHVSGFYOVRAQ-GOSISDBHSA-N 1 0 413.905 3.845 20 30 HHEDRO N#C[C@]1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCc2ccccc2C1 ZINC000514879643 1006180782 /nfs/dbraw/zinc/18/07/82/1006180782.db2.gz AKEVZYBQZWZNCQ-GMAHTHKFSA-N 1 0 409.480 3.711 20 30 HHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000515088402 1006280585 /nfs/dbraw/zinc/28/05/85/1006280585.db2.gz WOLUXDUTODAXRL-GOSISDBHSA-N 1 0 403.482 3.981 20 30 HHEDRO N#CCCN(C(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1)c1cccc(Cl)c1 ZINC000534355200 1006315589 /nfs/dbraw/zinc/31/55/89/1006315589.db2.gz OFJHYQHVCQYERJ-QFIPXVFZSA-N 1 0 411.933 3.860 20 30 HHEDRO N#Cc1csc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000531628894 1006315848 /nfs/dbraw/zinc/31/58/48/1006315848.db2.gz DXFOSEMLNZHHRI-UHFFFAOYSA-N 1 0 401.488 3.849 20 30 HHEDRO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000531643316 1006323466 /nfs/dbraw/zinc/32/34/66/1006323466.db2.gz FMZAUHHRRLUMPQ-GOSISDBHSA-N 1 0 409.530 3.972 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1C#N ZINC000534381395 1006351460 /nfs/dbraw/zinc/35/14/60/1006351460.db2.gz UIUXGIKTUOBWLU-HXUWFJFHSA-N 1 0 406.530 3.653 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCS(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000531698476 1006362364 /nfs/dbraw/zinc/36/23/64/1006362364.db2.gz DUALROYHMCTJBP-UHFFFAOYSA-N 1 0 424.497 3.840 20 30 HHEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000531786678 1006426698 /nfs/dbraw/zinc/42/66/98/1006426698.db2.gz JPHOIOLNSZSJMU-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000515522804 1006513244 /nfs/dbraw/zinc/51/32/44/1006513244.db2.gz JYMJVVMIQJRGCM-UHFFFAOYSA-N 1 0 419.550 3.978 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000515727951 1006623840 /nfs/dbraw/zinc/62/38/40/1006623840.db2.gz TWFCCMXTFKURGE-UHFFFAOYSA-N 1 0 403.935 3.676 20 30 HHEDRO COc1ccc(-n2ccc(CNC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000538409300 1006676675 /nfs/dbraw/zinc/67/66/75/1006676675.db2.gz LTSITULYWXSYMA-UHFFFAOYSA-N 1 0 401.514 3.507 20 30 HHEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)S(=O)(=O)c1ccc(Br)cc1 ZINC000538409072 1006676846 /nfs/dbraw/zinc/67/68/46/1006676846.db2.gz CPNTYVRDPDXDMH-UHFFFAOYSA-N 1 0 413.362 3.724 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)C(C)C ZINC000534763284 1006760700 /nfs/dbraw/zinc/76/07/00/1006760700.db2.gz XCHYYJGYUOJTKG-NRFANRHFSA-N 1 0 419.533 3.636 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000515922072 1006765420 /nfs/dbraw/zinc/76/54/20/1006765420.db2.gz PIGYANABJFQLQZ-LJQANCHMSA-N 1 0 421.520 3.893 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000538507908 1006773509 /nfs/dbraw/zinc/77/35/09/1006773509.db2.gz KPJVNHKWWMWCEN-IAGOWNOFSA-N 1 0 415.534 3.969 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCCc4ccccc43)cc2)c1C#N ZINC000534796755 1006800023 /nfs/dbraw/zinc/80/00/23/1006800023.db2.gz ZSKOOVLOIFEMSM-UHFFFAOYSA-N 1 0 414.513 3.770 20 30 HHEDRO CCOc1cc(-c2ccccc2)sc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000534797527 1006801489 /nfs/dbraw/zinc/80/14/89/1006801489.db2.gz IMGYSANTPVUPCG-UHFFFAOYSA-N 1 0 409.515 3.813 20 30 HHEDRO N#CC1(c2ccc(C(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)cc2)CC1 ZINC000538551841 1006815571 /nfs/dbraw/zinc/81/55/71/1006815571.db2.gz RRIOGPRLXLCNLY-UHFFFAOYSA-N 1 0 403.526 3.689 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000516055171 1006856844 /nfs/dbraw/zinc/85/68/44/1006856844.db2.gz KILXMCLQVLGPEU-UHFFFAOYSA-N 1 0 406.530 3.777 20 30 HHEDRO C[NH+]1CCN(c2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)cn2)CC1 ZINC000532432998 1006875951 /nfs/dbraw/zinc/87/59/51/1006875951.db2.gz SKKSRDIOCADAAF-UHFFFAOYSA-N 1 0 413.525 3.896 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c1C#N ZINC000516151154 1006919971 /nfs/dbraw/zinc/91/99/71/1006919971.db2.gz LLVAMJCWWAWTQM-UHFFFAOYSA-N 1 0 408.531 3.933 20 30 HHEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000534915131 1006950078 /nfs/dbraw/zinc/95/00/78/1006950078.db2.gz KGGKVTVYWWNSOK-GOSISDBHSA-N 1 0 417.513 3.502 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H]([NH+]4CCCCC4)C3)sc2C1 ZINC000532554528 1006986149 /nfs/dbraw/zinc/98/61/49/1006986149.db2.gz SBXDYPJJEBTSQZ-DLBZAZTESA-N 1 0 400.592 3.633 20 30 HHEDRO C=CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732822 1007012971 /nfs/dbraw/zinc/01/29/71/1007012971.db2.gz VHQSNIDDGIBIMM-QGZVFWFLSA-N 1 0 403.465 3.736 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1C#N ZINC000535116741 1007145717 /nfs/dbraw/zinc/14/57/17/1007145717.db2.gz LRXBAOHAURWJEP-LJQANCHMSA-N 1 0 424.520 3.792 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C4CCOCC4)C3)sc2C1 ZINC000535117151 1007146780 /nfs/dbraw/zinc/14/67/80/1007146780.db2.gz QVOOOLJXDNTLIW-WBVHZDCISA-N 1 0 401.576 3.822 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C4CCOCC4)C3)sc2C1 ZINC000535117150 1007146996 /nfs/dbraw/zinc/14/69/96/1007146996.db2.gz QVOOOLJXDNTLIW-RDJZCZTQSA-N 1 0 401.576 3.822 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1)CC1CC1 ZINC000538921722 1007206151 /nfs/dbraw/zinc/20/61/51/1007206151.db2.gz YTYOVQGZYKUIOW-UHFFFAOYSA-N 1 0 416.953 3.511 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1 ZINC000535226244 1007278043 /nfs/dbraw/zinc/27/80/43/1007278043.db2.gz OSRNSLASQIPELN-UHFFFAOYSA-N 1 0 416.481 3.635 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)CCCC)CC1 ZINC000532920483 1007293198 /nfs/dbraw/zinc/29/31/98/1007293198.db2.gz XTGQDTLIWNKPNN-SFHVURJKSA-N 1 0 405.608 3.622 20 30 HHEDRO CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000532949610 1007320084 /nfs/dbraw/zinc/32/00/84/1007320084.db2.gz JYORZBDVPDFXPG-GOSISDBHSA-N 1 0 402.608 3.929 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1SC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000532960148 1007329075 /nfs/dbraw/zinc/32/90/75/1007329075.db2.gz ROSOTQLSTIGPPM-KRWDZBQOSA-N 1 0 422.558 3.962 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000532991440 1007362999 /nfs/dbraw/zinc/36/29/99/1007362999.db2.gz UDHXBOHDOJFYAG-GCJKJVERSA-N 1 0 405.498 3.819 20 30 HHEDRO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000539075178 1007366452 /nfs/dbraw/zinc/36/64/52/1007366452.db2.gz YUFVOUGUCVDKBX-INIZCTEOSA-N 1 0 403.573 3.904 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533042274 1007400710 /nfs/dbraw/zinc/40/07/10/1007400710.db2.gz IRPKCNOGVVXVNK-WBVHZDCISA-N 1 0 415.925 3.578 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533042272 1007400780 /nfs/dbraw/zinc/40/07/80/1007400780.db2.gz IRPKCNOGVVXVNK-NVXWUHKLSA-N 1 0 415.925 3.578 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000517104583 1007416446 /nfs/dbraw/zinc/41/64/46/1007416446.db2.gz VJQQUKFCOGKRTP-JOCHJYFZSA-N 1 0 422.529 3.931 20 30 HHEDRO COC(=O)CC1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCCCC1 ZINC000533068046 1007430392 /nfs/dbraw/zinc/43/03/92/1007430392.db2.gz YLXLCKKZXYQITR-UHFFFAOYSA-N 1 0 414.550 3.886 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000539224269 1007515829 /nfs/dbraw/zinc/51/58/29/1007515829.db2.gz CYFWXGWCWNDTLR-QWHCGFSZSA-N 1 0 417.893 3.915 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000539224271 1007516018 /nfs/dbraw/zinc/51/60/18/1007516018.db2.gz CYFWXGWCWNDTLR-STQMWFEESA-N 1 0 417.893 3.915 20 30 HHEDRO N#CCCCOc1cccc(CNc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)c1 ZINC000533210614 1007537999 /nfs/dbraw/zinc/53/79/99/1007537999.db2.gz AGRYGHHDNFJKLC-UHFFFAOYSA-N 1 0 419.529 3.732 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000533221462 1007545875 /nfs/dbraw/zinc/54/58/75/1007545875.db2.gz IAONTCAVFKGWHQ-FQEVSTJZSA-N 1 0 422.598 3.880 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000517317880 1007561100 /nfs/dbraw/zinc/56/11/00/1007561100.db2.gz PSNYWXDHSBOWLK-QGZVFWFLSA-N 1 0 403.954 3.709 20 30 HHEDRO C=CCSc1ccccc1NC(=O)CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000533278621 1007590121 /nfs/dbraw/zinc/59/01/21/1007590121.db2.gz QURAHRRWQPRVFA-RTBURBONSA-N 1 0 417.619 3.724 20 30 HHEDRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533279145 1007591299 /nfs/dbraw/zinc/59/12/99/1007591299.db2.gz JWCAGNCGSLRCFI-HSZRJFAPSA-N 1 0 419.504 3.959 20 30 HHEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(C#N)c1C ZINC000539296037 1007593491 /nfs/dbraw/zinc/59/34/91/1007593491.db2.gz WLSKMXVVHLONNE-OAHLLOKOSA-N 1 0 417.469 3.705 20 30 HHEDRO 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C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000533489191 1007799605 /nfs/dbraw/zinc/79/96/05/1007799605.db2.gz QDSCOKODBMOHKB-HOTGVXAUSA-N 1 0 421.467 3.517 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533504315 1007817442 /nfs/dbraw/zinc/81/74/42/1007817442.db2.gz ZLBKEOGQSGTEFE-AEFFLSMTSA-N 1 0 400.498 3.868 20 30 HHEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@@H]1CCCN(CCOc2cccc(C#N)c2)CC1 ZINC000533606213 1007905608 /nfs/dbraw/zinc/90/56/08/1007905608.db2.gz KKEWYMWTZCVOOV-HSZRJFAPSA-N 1 0 418.541 3.674 20 30 HHEDRO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cn2)C[C@H](C)O1 ZINC000517786215 1007968202 /nfs/dbraw/zinc/96/82/02/1007968202.db2.gz OMNTYNPPTLGZAQ-GJZGRUSLSA-N 1 0 404.436 3.875 20 30 HHEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539818566 1008113174 /nfs/dbraw/zinc/11/31/74/1008113174.db2.gz XPKADOAFWYNDQU-RPWUZVMVSA-N 1 0 406.526 3.889 20 30 HHEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539818564 1008113359 /nfs/dbraw/zinc/11/33/59/1008113359.db2.gz XPKADOAFWYNDQU-BJKOFHAPSA-N 1 0 406.526 3.889 20 30 HHEDRO C[C@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000539824140 1008118291 /nfs/dbraw/zinc/11/82/91/1008118291.db2.gz YNQMYMYODATODE-LVXARBLLSA-N 1 0 418.585 3.595 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Br ZINC000533798435 1008118826 /nfs/dbraw/zinc/11/88/26/1008118826.db2.gz FZZXWDDITRHVDD-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C=CC[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)CC1CCCCC1 ZINC000539828776 1008122422 /nfs/dbraw/zinc/12/24/22/1008122422.db2.gz KCDBIBASUCSFPT-UHFFFAOYSA-N 1 0 416.562 3.501 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)Cc1ccccc1 ZINC000533810830 1008128588 /nfs/dbraw/zinc/12/85/88/1008128588.db2.gz HKUJYPHEISQWCA-NRFANRHFSA-N 1 0 403.482 3.633 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896544 1008170518 /nfs/dbraw/zinc/17/05/18/1008170518.db2.gz NFLCJKRFOGGCCZ-PZUNEJSGSA-N 1 0 405.542 3.821 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC000540017383 1008239624 /nfs/dbraw/zinc/23/96/24/1008239624.db2.gz YTGVYOAMOGQSQP-UHFFFAOYSA-N 1 0 408.521 3.793 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)[NH+]1CCCC1 ZINC000518462957 1008317871 /nfs/dbraw/zinc/31/78/71/1008317871.db2.gz DWTMIOOPXFCZRH-JXFKEZNVSA-N 1 0 424.932 3.534 20 30 HHEDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540180962 1008325481 /nfs/dbraw/zinc/32/54/81/1008325481.db2.gz VAFIQQKBDZSSSQ-RWBZWWBESA-N 1 0 403.324 3.886 20 30 HHEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCCC1 ZINC000518563629 1008348087 /nfs/dbraw/zinc/34/80/87/1008348087.db2.gz KMCICVMQBNCBSB-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2C)c1 ZINC000540295660 1008370931 /nfs/dbraw/zinc/37/09/31/1008370931.db2.gz NTUPYNUSRAUMNQ-UHFFFAOYSA-N 1 0 406.530 3.744 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000540343659 1008390216 /nfs/dbraw/zinc/39/02/16/1008390216.db2.gz BOVMGOQMNZUNJN-FQEVSTJZSA-N 1 0 404.432 3.923 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccncc1 ZINC000540352903 1008394938 /nfs/dbraw/zinc/39/49/38/1008394938.db2.gz SJIZKKBXUNHCOM-XFAGBWLFSA-N 1 0 424.545 3.763 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540359579 1008398929 /nfs/dbraw/zinc/39/89/29/1008398929.db2.gz CULWIMAICUZLRT-QZTJIDSGSA-N 1 0 405.477 3.997 20 30 HHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000540409118 1008420715 /nfs/dbraw/zinc/42/07/15/1008420715.db2.gz XIMSYXCYDAIWHE-JOCHJYFZSA-N 1 0 420.513 3.924 20 30 HHEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540413864 1008422845 /nfs/dbraw/zinc/42/28/45/1008422845.db2.gz ISUPBMRQPPNKIP-WDYCEAGBSA-N 1 0 413.484 3.572 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000540431021 1008430364 /nfs/dbraw/zinc/43/03/64/1008430364.db2.gz WOPDRSAPVBWVTF-SJORKVTESA-N 1 0 420.542 3.951 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000540431016 1008430516 /nfs/dbraw/zinc/43/05/16/1008430516.db2.gz WOPDRSAPVBWVTF-IRXDYDNUSA-N 1 0 420.542 3.951 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000518879930 1008457153 /nfs/dbraw/zinc/45/71/53/1008457153.db2.gz MZAMYGWSHQUWKW-UHFFFAOYSA-N 1 0 403.526 3.990 20 30 HHEDRO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000540511958 1008462262 /nfs/dbraw/zinc/46/22/62/1008462262.db2.gz FQQAWEIDDFWNRG-PXNSSMCTSA-N 1 0 414.550 3.679 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc(F)cc1 ZINC000540548273 1008476780 /nfs/dbraw/zinc/47/67/80/1008476780.db2.gz GBXYIQOZLKFSEC-HXUWFJFHSA-N 1 0 414.550 3.507 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)n2)c(F)c1 ZINC000542961331 1008533712 /nfs/dbraw/zinc/53/37/12/1008533712.db2.gz JUSISDRGNQJRJA-IBGZPJMESA-N 1 0 422.464 3.825 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(NC(=O)c3ccc4[nH]cnc4c3)c2)CC1 ZINC000519270563 1008679376 /nfs/dbraw/zinc/67/93/76/1008679376.db2.gz VAUJHHRDEIJQHM-UHFFFAOYSA-N 1 0 417.513 3.586 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(I)cc1)c1ccc(C#N)cc1 ZINC000549175003 1008747399 /nfs/dbraw/zinc/74/73/99/1008747399.db2.gz XLWDOWDXAQOFIT-OLZOCXBDSA-N 1 0 419.266 3.841 20 30 HHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000549214967 1008785114 /nfs/dbraw/zinc/78/51/14/1008785114.db2.gz NYPSBTFJFJNSFD-UHFFFAOYSA-N 1 0 415.504 3.603 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549248747 1008820204 /nfs/dbraw/zinc/82/02/04/1008820204.db2.gz YEYRLUOMMOZFHY-NRFANRHFSA-N 1 0 408.594 3.788 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000549262149 1008832299 /nfs/dbraw/zinc/83/22/99/1008832299.db2.gz LUKZAAZCCJPXIY-QPPBQGQZSA-N 1 0 406.526 3.795 20 30 HHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549262977 1008832403 /nfs/dbraw/zinc/83/24/03/1008832403.db2.gz SVQBVEYGWPOEOA-OALUTQOASA-N 1 0 401.599 3.837 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000519503642 1008874680 /nfs/dbraw/zinc/87/46/80/1008874680.db2.gz UOMLQVKYDIIDNW-HSZRJFAPSA-N 1 0 418.541 3.667 20 30 HHEDRO CC1CCN([C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c2ccccc2)CC1 ZINC000519656120 1008942493 /nfs/dbraw/zinc/94/24/93/1008942493.db2.gz LBRPPFWTQHFING-ILBGXUMGSA-N 1 0 407.558 3.555 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000549408622 1008996486 /nfs/dbraw/zinc/99/64/86/1008996486.db2.gz PRPMTGQIMIWNJG-UZUQRXQVSA-N 1 0 407.489 3.903 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1c(C)nn(C)c1C ZINC000543456834 1009040010 /nfs/dbraw/zinc/04/00/10/1009040010.db2.gz CZTYRUAHONGASU-HXUWFJFHSA-N 1 0 422.533 3.648 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458902 1009041773 /nfs/dbraw/zinc/04/17/73/1009041773.db2.gz JKQSSUPFKLFMCV-SLFFLAALSA-N 1 0 412.578 3.573 20 30 HHEDRO CCC[N@@H+](Cc1ccccc1Br)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000519907020 1009067237 /nfs/dbraw/zinc/06/72/37/1009067237.db2.gz GDMAGMLCRRALRU-GOSISDBHSA-N 1 0 403.320 3.973 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2Cc2ccccc2)c1 ZINC000549494083 1009096594 /nfs/dbraw/zinc/09/65/94/1009096594.db2.gz ZYFCAFBCBUYREA-QHCPKHFHSA-N 1 0 412.541 3.930 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000549769418 1009383643 /nfs/dbraw/zinc/38/36/43/1009383643.db2.gz XLJIULVGOQUEAM-UHFFFAOYSA-N 1 0 420.435 3.623 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000520323780 1009454122 /nfs/dbraw/zinc/45/41/22/1009454122.db2.gz XQZDDGYUFXPINF-QFIPXVFZSA-N 1 0 421.545 3.516 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889088 1009467094 /nfs/dbraw/zinc/46/70/94/1009467094.db2.gz AHRHNIJPJNNMHI-GJZGRUSLSA-N 1 0 400.914 3.639 20 30 HHEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000543927647 1009519708 /nfs/dbraw/zinc/51/97/08/1009519708.db2.gz YSQMDGKYYRVOTB-UHFFFAOYSA-N 1 0 404.942 3.511 20 30 HHEDRO CC(C)[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550064173 1009666479 /nfs/dbraw/zinc/66/64/79/1009666479.db2.gz YFTCJLUDFIMYFM-QFIPXVFZSA-N 1 0 403.592 3.948 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000520601009 1009677293 /nfs/dbraw/zinc/67/72/93/1009677293.db2.gz ZAZUCHWTERFEEC-ROUUACIJSA-N 1 0 418.969 3.603 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)c1 ZINC000520606676 1009683379 /nfs/dbraw/zinc/68/33/79/1009683379.db2.gz KNKWDMBAPABSEI-JOCHJYFZSA-N 1 0 402.494 3.995 20 30 HHEDRO N#Cc1ccc(C[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)c(C(F)(F)F)c1 ZINC000520665323 1009735943 /nfs/dbraw/zinc/73/59/43/1009735943.db2.gz KJGHSSHZSSNCNR-UHFFFAOYSA-N 1 0 411.493 3.801 20 30 HHEDRO N#Cc1cnn2cc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)cnc12 ZINC000550156798 1009738033 /nfs/dbraw/zinc/73/80/33/1009738033.db2.gz KFDIWQPPMVRRIN-UHFFFAOYSA-N 1 0 423.455 3.883 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000520697728 1009764723 /nfs/dbraw/zinc/76/47/23/1009764723.db2.gz OFLIWSJWWWTWFR-UHFFFAOYSA-N 1 0 417.513 3.973 20 30 HHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520722964 1009790402 /nfs/dbraw/zinc/79/04/02/1009790402.db2.gz WGXZXKUHOGHHKT-IBGZPJMESA-N 1 0 411.477 3.672 20 30 HHEDRO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)COCc1ccccc1 ZINC000520824331 1009885174 /nfs/dbraw/zinc/88/51/74/1009885174.db2.gz JXOSCJFKCYJEQL-OAQYLSRUSA-N 1 0 420.557 3.628 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544301408 1009921893 /nfs/dbraw/zinc/92/18/93/1009921893.db2.gz RSRCOJZRQDUSRL-NRFANRHFSA-N 1 0 422.529 3.712 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000544301203 1009922064 /nfs/dbraw/zinc/92/20/64/1009922064.db2.gz XBOSXHPZZBZHEE-IBGZPJMESA-N 1 0 416.909 3.661 20 30 HHEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 ZINC000544307794 1009929316 /nfs/dbraw/zinc/92/93/16/1009929316.db2.gz OWXFGVQOEKXQTQ-UHFFFAOYSA-N 1 0 402.539 3.559 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000544310186 1009932891 /nfs/dbraw/zinc/93/28/91/1009932891.db2.gz XBHCGTANVOQXNV-XLIONFOSSA-N 1 0 408.502 3.540 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000544310184 1009933097 /nfs/dbraw/zinc/93/30/97/1009933097.db2.gz XBHCGTANVOQXNV-FXAWDEMLSA-N 1 0 408.502 3.540 20 30 HHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000521091787 1010109549 /nfs/dbraw/zinc/10/95/49/1010109549.db2.gz IOTJCZZMSFEZIH-LJQANCHMSA-N 1 0 401.304 3.749 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)cc1 ZINC000544514246 1010138817 /nfs/dbraw/zinc/13/88/17/1010138817.db2.gz ITLVBNGJYKXOJP-GGUMNFRJSA-N 1 0 407.514 3.875 20 30 HHEDRO CC(C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000521188301 1010219096 /nfs/dbraw/zinc/21/90/96/1010219096.db2.gz YFGXBRIOZIGXRK-UHFFFAOYSA-N 1 0 400.320 3.848 20 30 HHEDRO N#Cc1cnn2cc(C[NH2+]C[C@@H](c3ccccc3)N3CCc4sccc4C3)cnc12 ZINC000550858625 1010220191 /nfs/dbraw/zinc/22/01/91/1010220191.db2.gz DIIIGPGNXOEAIS-NRFANRHFSA-N 1 0 414.538 3.552 20 30 HHEDRO N#Cc1ccc(CNC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000521195080 1010222161 /nfs/dbraw/zinc/22/21/61/1010222161.db2.gz WUGUIILDZPTGOT-UHFFFAOYSA-N 1 0 424.548 3.582 20 30 HHEDRO CC(C)C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000521196690 1010223616 /nfs/dbraw/zinc/22/36/16/1010223616.db2.gz UPKVZPYGYGDULP-UHFFFAOYSA-N 1 0 400.544 3.889 20 30 HHEDRO CC(C)[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCN(C)CC1 ZINC000521367055 1010336580 /nfs/dbraw/zinc/33/65/80/1010336580.db2.gz ZAOZJJVTVVKWIT-QHCPKHFHSA-N 1 0 421.545 3.744 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000521596291 1010492055 /nfs/dbraw/zinc/49/20/55/1010492055.db2.gz JVLVLOCCXUYYDN-OAQYLSRUSA-N 1 0 417.981 3.844 20 30 HHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)cccc21 ZINC000551598606 1010686839 /nfs/dbraw/zinc/68/68/39/1010686839.db2.gz IJZJNPAVIMVRFL-PZJWPPBQSA-N 1 0 420.513 3.562 20 30 HHEDRO CC1(C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000548774724 1010727973 /nfs/dbraw/zinc/72/79/73/1010727973.db2.gz KYFQLKLPEASEGQ-UHFFFAOYSA-N 1 0 402.542 3.768 20 30 HHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCCC1 ZINC000545404374 1010775582 /nfs/dbraw/zinc/77/55/82/1010775582.db2.gz RWKNURHMUMBOBJ-UHFFFAOYSA-N 1 0 400.914 3.641 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](C)C1 ZINC000522365481 1010960383 /nfs/dbraw/zinc/96/03/83/1010960383.db2.gz XQZKUTXCMDRAMW-XMSQKQJNSA-N 1 0 422.529 3.612 20 30 HHEDRO COc1ccc(C2(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)CCCCC2)cc1OC ZINC000522377281 1010967239 /nfs/dbraw/zinc/96/72/39/1010967239.db2.gz URSUKXGXRVKKOY-JOCHJYFZSA-N 1 0 407.514 3.594 20 30 HHEDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)(C)C ZINC000522593165 1011097737 /nfs/dbraw/zinc/09/77/37/1011097737.db2.gz JCQPLYSZZSFFRW-OAQYLSRUSA-N 1 0 422.529 3.772 20 30 HHEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000540589802 1011246399 /nfs/dbraw/zinc/24/63/99/1011246399.db2.gz LRHZKTXDBFKODS-ZSEKCTLFSA-N 1 0 423.538 3.948 20 30 HHEDRO Cn1ccnc1[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000540596796 1011253105 /nfs/dbraw/zinc/25/31/05/1011253105.db2.gz IBPIZFSFDVXETA-QHCPKHFHSA-N 1 0 403.505 3.774 20 30 HHEDRO CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000540597765 1011253291 /nfs/dbraw/zinc/25/32/91/1011253291.db2.gz YBQRIDAVWRCWNJ-UHFFFAOYSA-N 1 0 402.586 3.949 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000540605115 1011258677 /nfs/dbraw/zinc/25/86/77/1011258677.db2.gz FRFDWSJTCTVZHB-JOCHJYFZSA-N 1 0 408.933 3.571 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000536170883 1011301991 /nfs/dbraw/zinc/30/19/91/1011301991.db2.gz VTBYYNLYZJZGGP-VQTJNVASSA-N 1 0 401.432 3.802 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)CC1 ZINC000522975105 1011425470 /nfs/dbraw/zinc/42/54/70/1011425470.db2.gz POZSJGZZJWHVRK-JOCHJYFZSA-N 1 0 419.529 3.502 20 30 HHEDRO Cc1cc(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nn1CCC#N ZINC000540816259 1011477649 /nfs/dbraw/zinc/47/76/49/1011477649.db2.gz KMGUFGNDALZULY-GOSISDBHSA-N 1 0 400.914 3.717 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[N@@H+]1CCCC[C@H]1C ZINC000523053540 1011522725 /nfs/dbraw/zinc/52/27/25/1011522725.db2.gz VDQXWNBKYWTTBA-MSOLQXFVSA-N 1 0 420.513 3.668 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000540858373 1011526669 /nfs/dbraw/zinc/52/66/69/1011526669.db2.gz CEYYIZHOUVSFIK-HXUWFJFHSA-N 1 0 407.514 3.923 20 30 HHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000536342033 1011545593 /nfs/dbraw/zinc/54/55/93/1011545593.db2.gz HIRFKEBNBCHQTL-UHFFFAOYSA-N 1 0 420.542 3.518 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)cn2)CC1 ZINC000523135463 1011606004 /nfs/dbraw/zinc/60/60/04/1011606004.db2.gz LFJSRBHITZWZJJ-UHFFFAOYSA-N 1 0 412.497 3.701 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000541097119 1011743171 /nfs/dbraw/zinc/74/31/71/1011743171.db2.gz IQLVPAIYSBIMCZ-INIZCTEOSA-N 1 0 400.914 3.593 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105949 1011753156 /nfs/dbraw/zinc/75/31/56/1011753156.db2.gz AVTOPJPJXXWGPZ-JPYJTQIMSA-N 1 0 406.530 3.696 20 30 HHEDRO CCc1nsc(N2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n1 ZINC000536671754 1011827667 /nfs/dbraw/zinc/82/76/67/1011827667.db2.gz XEBGBAVCEKTNBB-UHFFFAOYSA-N 1 0 421.574 3.590 20 30 HHEDRO Cn1c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2nc1C(F)F ZINC000541210469 1011881208 /nfs/dbraw/zinc/88/12/08/1011881208.db2.gz OPDMMCFCBFLFDH-UHFFFAOYSA-N 1 0 411.456 3.587 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000551773350 1011933687 /nfs/dbraw/zinc/93/36/87/1011933687.db2.gz YPNLZMOSCUMVFP-GOSISDBHSA-N 1 0 416.525 3.534 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536747093 1011934504 /nfs/dbraw/zinc/93/45/04/1011934504.db2.gz KCKMGKONZDLJJK-UHFFFAOYSA-N 1 0 416.447 3.668 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2C)[NH+](CC)CC)cc1 ZINC000551799647 1011957148 /nfs/dbraw/zinc/95/71/48/1011957148.db2.gz QWJCVXQDWAPIFC-JOCHJYFZSA-N 1 0 406.530 3.567 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1F ZINC000551968617 1012035627 /nfs/dbraw/zinc/03/56/27/1012035627.db2.gz MJORSQPENGSUMK-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO C[C@@H](CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[N@H+](C)Cc1ccccc1 ZINC000552076303 1012093738 /nfs/dbraw/zinc/09/37/38/1012093738.db2.gz GDAJMXXTBMPUPW-IBGZPJMESA-N 1 0 422.548 3.941 20 30 HHEDRO C[C@@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1Cl ZINC000552090147 1012106087 /nfs/dbraw/zinc/10/60/87/1012106087.db2.gz BUQIKXKZEFIXKT-UKRRQHHQSA-N 1 0 409.964 3.635 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1)CC(C)C ZINC000536923988 1012206884 /nfs/dbraw/zinc/20/68/84/1012206884.db2.gz GQUFOCYTZOQQRR-UHFFFAOYSA-N 1 0 414.594 3.815 20 30 HHEDRO C[C@@H]1C[NH+](CC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@@H](C)O1 ZINC000536983736 1012283770 /nfs/dbraw/zinc/28/37/70/1012283770.db2.gz YVCWRYWUTSVHAK-HUUCEWRRSA-N 1 0 400.473 3.710 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)cc1 ZINC000552282090 1012294266 /nfs/dbraw/zinc/29/42/66/1012294266.db2.gz VOTQKDORFPCRPR-QHCPKHFHSA-N 1 0 424.495 3.586 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000541551703 1012339944 /nfs/dbraw/zinc/33/99/44/1012339944.db2.gz RPDXBSMNUFBQRS-DEOSSOPVSA-N 1 0 412.493 3.817 20 30 HHEDRO C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601597 1012397036 /nfs/dbraw/zinc/39/70/36/1012397036.db2.gz IVPKBBHOYDQDMS-MSOLQXFVSA-N 1 0 402.970 3.829 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000537068184 1012407255 /nfs/dbraw/zinc/40/72/55/1012407255.db2.gz STOITMOJEWLLCW-MRXNPFEDSA-N 1 0 416.481 3.984 20 30 HHEDRO C=CCOc1cccnc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000537090491 1012449649 /nfs/dbraw/zinc/44/96/49/1012449649.db2.gz JLNOARCNPWPSHK-UHFFFAOYSA-N 1 0 408.502 3.713 20 30 HHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)c(OCC)c2)CC1 ZINC000552484409 1012511328 /nfs/dbraw/zinc/51/13/28/1012511328.db2.gz DYNUMEOCMAXKMC-UHFFFAOYSA-N 1 0 410.493 3.880 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000537249447 1012694257 /nfs/dbraw/zinc/69/42/57/1012694257.db2.gz UTJCATREPAFNBU-NZQKXSOJSA-N 1 0 408.571 3.588 20 30 HHEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000537249647 1012695811 /nfs/dbraw/zinc/69/58/11/1012695811.db2.gz OAVZOOSVKVAQFE-LEWJYISDSA-N 1 0 410.587 3.930 20 30 HHEDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000537288030 1012744900 /nfs/dbraw/zinc/74/49/00/1012744900.db2.gz ZTTPKYNQMPOPMT-XXBNENTESA-N 1 0 408.521 3.502 20 30 HHEDRO COc1cccc(N2CCC[C@@H]([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000537293009 1012750853 /nfs/dbraw/zinc/75/08/53/1012750853.db2.gz USFJNYHLCWMVLV-HSZRJFAPSA-N 1 0 404.558 3.790 20 30 HHEDRO CN1C(=O)C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000537306020 1012763737 /nfs/dbraw/zinc/76/37/37/1012763737.db2.gz BJKIMVWEXCTFRX-LADGPHEKSA-N 1 0 422.960 3.738 20 30 HHEDRO CCOC(=O)COc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000537311683 1012770406 /nfs/dbraw/zinc/77/04/06/1012770406.db2.gz MLHXZBJYHPPOEI-UHFFFAOYSA-N 1 0 408.498 3.980 20 30 HHEDRO COc1ccc(C2(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)CCCCC2)cc1 ZINC000552836554 1012847005 /nfs/dbraw/zinc/84/70/05/1012847005.db2.gz JEKKUJWGATWZHC-QFIPXVFZSA-N 1 0 408.542 3.993 20 30 HHEDRO Cn1cc(-c2ccc(F)c(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2)cn1 ZINC000541996910 1012874906 /nfs/dbraw/zinc/87/49/06/1012874906.db2.gz BHAVYXDBSFKVPE-UHFFFAOYSA-N 1 0 417.488 3.514 20 30 HHEDRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)OC ZINC000542020109 1012911690 /nfs/dbraw/zinc/91/16/90/1012911690.db2.gz ZBMYCHUHULNGRH-QQMNAOGKSA-N 1 0 407.514 3.580 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542024441 1012917409 /nfs/dbraw/zinc/91/74/09/1012917409.db2.gz QGWPFDOTCGYTAB-FPOVZHCZSA-N 1 0 424.511 3.579 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542026074 1012920783 /nfs/dbraw/zinc/92/07/83/1012920783.db2.gz GRLLFVFJGBRBHP-HNNXBMFYSA-N 1 0 400.914 3.593 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccccc1 ZINC000542034896 1012934230 /nfs/dbraw/zinc/93/42/30/1012934230.db2.gz OHAFIFFRHMGOCL-LJQANCHMSA-N 1 0 408.893 3.822 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000537467352 1012970836 /nfs/dbraw/zinc/97/08/36/1012970836.db2.gz GYTXVIGYPSQURH-UHFFFAOYSA-N 1 0 408.590 3.510 20 30 HHEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000553007794 1012980251 /nfs/dbraw/zinc/98/02/51/1012980251.db2.gz UIGLAPLLQXVMQR-KRWDZBQOSA-N 1 0 413.481 3.885 20 30 HHEDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000537479793 1012990028 /nfs/dbraw/zinc/99/00/28/1012990028.db2.gz MSGFDERINVAERA-UHFFFAOYSA-N 1 0 406.511 3.798 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[NH+](C)C)cc1 ZINC000553053765 1013027398 /nfs/dbraw/zinc/02/73/98/1013027398.db2.gz KEUCCKJKLQTYAT-OFNKIYASSA-N 1 0 408.521 3.505 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2ccc(C)cc2)c1 ZINC000729669529 1071784501 /nfs/dbraw/zinc/78/45/01/1071784501.db2.gz GQVUPTCJPSOHTM-DOTOQJQBSA-O 1 0 415.535 3.769 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccncc2Br)no1 ZINC001211975248 1071829175 /nfs/dbraw/zinc/82/91/75/1071829175.db2.gz APKCNHUNUUCDQM-CJNGLKHVSA-N 1 0 409.328 3.972 20 30 HHEDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC001126744099 1071846437 /nfs/dbraw/zinc/84/64/37/1071846437.db2.gz MHUCBVCJAHNMOI-PKTZIBPZSA-N 1 0 416.481 3.725 20 30 HHEDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2cc(C#N)ccc2F)no1 ZINC001212065622 1071948134 /nfs/dbraw/zinc/94/81/34/1071948134.db2.gz NCIKGBASLXRAEN-PMACEKPBSA-N 1 0 421.476 3.521 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000729810157 1072126158 /nfs/dbraw/zinc/12/61/58/1072126158.db2.gz VEBMUXIAOXTDJS-YBNHLDJLSA-N 1 0 424.497 3.533 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000729810155 1072126214 /nfs/dbraw/zinc/12/62/14/1072126214.db2.gz VEBMUXIAOXTDJS-XADARROHSA-N 1 0 424.497 3.533 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1cccc(C)c1 ZINC000912836588 1072289531 /nfs/dbraw/zinc/28/95/31/1072289531.db2.gz VCRNHUZVLMIUCF-UHFFFAOYSA-O 1 0 408.547 3.786 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)Cc2ccc(F)c(F)c2)c1=S ZINC000913066925 1072322500 /nfs/dbraw/zinc/32/25/00/1072322500.db2.gz ZCDLALUWUOKAAD-UHFFFAOYSA-N 1 0 421.561 3.996 20 30 HHEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001691579293 1072479819 /nfs/dbraw/zinc/47/98/19/1072479819.db2.gz CIEORCPJXQGVES-JOCHJYFZSA-N 1 0 422.577 3.554 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571272596 1072595245 /nfs/dbraw/zinc/59/52/45/1072595245.db2.gz NTFPFKNLPPQMDI-WIYYLYMNSA-N 1 0 403.885 3.773 20 30 HHEDRO CC[NH+]1CCN([C@H](C)CNc2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479378390 1072786784 /nfs/dbraw/zinc/78/67/84/1072786784.db2.gz LHOUCIWLMJRNAO-OAHLLOKOSA-N 1 0 416.367 3.615 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C#N ZINC000571780998 1072852903 /nfs/dbraw/zinc/85/29/03/1072852903.db2.gz NLDIWHHXXVAXJP-DEOSSOPVSA-N 1 0 411.594 3.838 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000588664861 1073082017 /nfs/dbraw/zinc/08/20/17/1073082017.db2.gz CYHPSNYTFFMRHZ-PKTZIBPZSA-N 1 0 406.530 3.935 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000572051045 1073123624 /nfs/dbraw/zinc/12/36/24/1073123624.db2.gz YAYXAZWEXJLGBM-MRFFXTKBSA-N 1 0 400.885 3.713 20 30 HHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555130738 1073180943 /nfs/dbraw/zinc/18/09/43/1073180943.db2.gz VEDKGSQHCLFCIO-QUCCMNQESA-N 1 0 408.949 3.745 20 30 HHEDRO C[C@@H]1[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000572196099 1073225228 /nfs/dbraw/zinc/22/52/28/1073225228.db2.gz JQPNKAOWOMSLLH-DVECYGJZSA-N 1 0 418.541 3.774 20 30 HHEDRO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555229424 1073275315 /nfs/dbraw/zinc/27/53/15/1073275315.db2.gz AUFIZPAKBYOKLS-HXUWFJFHSA-N 1 0 406.486 3.807 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000555249752 1073279673 /nfs/dbraw/zinc/27/96/73/1073279673.db2.gz ZSIADNNPBZNABY-SFHVURJKSA-N 1 0 410.522 3.742 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)cc1)C(C)C ZINC000588836987 1073297712 /nfs/dbraw/zinc/29/77/12/1073297712.db2.gz XBSCMMUVLJNQTH-UHFFFAOYSA-N 1 0 402.502 3.809 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000555265316 1073298594 /nfs/dbraw/zinc/29/85/94/1073298594.db2.gz HSPBBFUXTZOKCT-CTNGQTDRSA-N 1 0 401.599 3.839 20 30 HHEDRO C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000555266790 1073299060 /nfs/dbraw/zinc/29/90/60/1073299060.db2.gz GCSHSHMASQXURN-OAQYLSRUSA-N 1 0 419.614 3.527 20 30 HHEDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000760711953 1073303798 /nfs/dbraw/zinc/30/37/98/1073303798.db2.gz DHAXCSQXBKIOFG-RPBOFIJWSA-N 1 0 406.574 3.806 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Oc2cccnc2)cc1 ZINC000588972015 1073365374 /nfs/dbraw/zinc/36/53/74/1073365374.db2.gz XEIADCQPXMQYFY-KRWDZBQOSA-N 1 0 407.495 3.870 20 30 HHEDRO CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000555372695 1073381382 /nfs/dbraw/zinc/38/13/82/1073381382.db2.gz SDVJTOITEYIQDO-UHFFFAOYSA-N 1 0 422.577 3.839 20 30 HHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000555566634 1073635177 /nfs/dbraw/zinc/63/51/77/1073635177.db2.gz QMXRRBJKWWDVHT-UHFFFAOYSA-N 1 0 404.436 3.609 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000555687924 1073726904 /nfs/dbraw/zinc/72/69/04/1073726904.db2.gz BNUVUQTUXYAIFD-UXHICEINSA-N 1 0 411.571 3.825 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)CC1 ZINC000555750615 1073793261 /nfs/dbraw/zinc/79/32/61/1073793261.db2.gz LLCGIFQBHPTMEW-HSZRJFAPSA-N 1 0 413.606 3.855 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)CC)CC1 ZINC000592080246 1074688284 /nfs/dbraw/zinc/68/82/84/1074688284.db2.gz UNHWARJAAWXXHG-OXJNMPFZSA-N 1 0 405.970 3.641 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000592302015 1074719426 /nfs/dbraw/zinc/71/94/26/1074719426.db2.gz QSYZCFVNAFUUJI-CHWSQXEVSA-N 1 0 401.395 3.799 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000592303561 1074720329 /nfs/dbraw/zinc/72/03/29/1074720329.db2.gz JLDDRVZRGAMYMK-UHFFFAOYSA-N 1 0 424.511 3.573 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000592359279 1074737136 /nfs/dbraw/zinc/73/71/36/1074737136.db2.gz ZWWJLIYILGSADX-UHFFFAOYSA-N 1 0 401.576 3.817 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)cc(Br)c2OC)CC1 ZINC000592920653 1075134159 /nfs/dbraw/zinc/13/41/59/1075134159.db2.gz RAIYKTMXGPQJOE-UHFFFAOYSA-N 1 0 402.720 3.883 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000574181077 1075171232 /nfs/dbraw/zinc/17/12/32/1075171232.db2.gz RXHSKRSRVLFQEJ-FQEVSTJZSA-N 1 0 400.542 3.540 20 30 HHEDRO CCCC[C@@H](ON=C(C)C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000758319274 1075215065 /nfs/dbraw/zinc/21/50/65/1075215065.db2.gz QPQKXLZLZSLPMS-JOCHJYFZSA-N 1 0 408.631 3.612 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000594124788 1075264936 /nfs/dbraw/zinc/26/49/36/1075264936.db2.gz KSDBJHKUGARHQA-OZOXKJRCSA-N 1 0 413.562 3.604 20 30 HHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594363877 1075293059 /nfs/dbraw/zinc/29/30/59/1075293059.db2.gz JINCEUBITSMGPN-OAQYLSRUSA-N 1 0 421.566 3.563 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)cnc2Cl)cc1 ZINC001164409807 718865775 /nfs/dbraw/zinc/86/57/75/718865775.db2.gz UIMBKSVRLSCRJW-QFBILLFUSA-N 1 0 418.875 3.633 20 30 HHEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1C(F)(F)F ZINC001164421893 718893472 /nfs/dbraw/zinc/89/34/72/718893472.db2.gz ZCGVBBATNJKAMP-GFCCVEGCSA-N 1 0 423.817 3.924 20 30 HHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)CC1 ZINC001164617937 719035193 /nfs/dbraw/zinc/03/51/93/719035193.db2.gz PSFZEUGQZSTNQA-UHFFFAOYSA-N 1 0 424.589 3.811 20 30 HHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4ccc(C#N)cc42)CC3)cs1 ZINC001164694384 719805388 /nfs/dbraw/zinc/80/53/88/719805388.db2.gz XVZXSKWCOXBMDM-UHFFFAOYSA-N 1 0 404.543 3.901 20 30 HHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164712011 720099187 /nfs/dbraw/zinc/09/91/87/720099187.db2.gz UBYKVXRRNQABMN-GOSISDBHSA-N 1 0 411.937 3.509 20 30 HHEDRO N#C[C@H](c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723972 720405166 /nfs/dbraw/zinc/40/51/66/720405166.db2.gz IIPODJCCRVCVJE-WWPVKYPJSA-N 1 0 414.488 3.519 20 30 HHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900964 721515192 /nfs/dbraw/zinc/51/51/92/721515192.db2.gz VEQVWTPQOHTWLN-ZBFHGGJFSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908751 721564033 /nfs/dbraw/zinc/56/40/33/721564033.db2.gz RXYXJBBSPQJLBL-HIFRSBDPSA-N 1 0 407.276 3.741 20 30 HHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164908756 721564159 /nfs/dbraw/zinc/56/41/59/721564159.db2.gz RXYXJBBSPQJLBL-ZFWWWQNUSA-N 1 0 407.276 3.741 20 30 HHEDRO N#Cc1cc(F)c(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903346 721584053 /nfs/dbraw/zinc/58/40/53/721584053.db2.gz MLZRYKMBVLJWMI-IBGZPJMESA-N 1 0 421.854 3.878 20 30 HHEDRO N#Cc1cnc2cc[nH]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c1-2 ZINC001164904301 721719531 /nfs/dbraw/zinc/71/95/31/721719531.db2.gz BLSSXJIMVZEXHB-OAQYLSRUSA-N 1 0 408.456 3.567 20 30 HHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(c3C#N)CCCC4)C[C@H]21 ZINC001165025112 721831297 /nfs/dbraw/zinc/83/12/97/721831297.db2.gz LTSQOGBWEXQVOM-CTUHWIOQSA-N 1 0 401.558 3.964 20 30 HHEDRO CN(CC1CC[NH+](C)CC1)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001165043727 721939558 /nfs/dbraw/zinc/93/95/58/721939558.db2.gz DCSZRQZGLHPRPY-UHFFFAOYSA-N 1 0 405.880 3.992 20 30 HHEDRO N#CC1(c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2)CCC1 ZINC001164963959 722055910 /nfs/dbraw/zinc/05/59/10/722055910.db2.gz PWWAYXSIGUFRGQ-UHFFFAOYSA-N 1 0 417.557 3.541 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ccc(C#N)cc3[N+](=O)[O-])CC2)c1C ZINC000301203035 970805587 /nfs/dbraw/zinc/80/55/87/970805587.db2.gz QHENBVGAFBCZKV-UHFFFAOYSA-N 1 0 409.490 3.588 20 30 HHEDRO CC(C)c1noc(-c2ccnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000301380846 970897322 /nfs/dbraw/zinc/89/73/22/970897322.db2.gz YYGLMCUZIGZDKU-UHFFFAOYSA-N 1 0 402.502 3.839 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000524241668 1013052246 /nfs/dbraw/zinc/05/22/46/1013052246.db2.gz SDJYFQWFWWURJK-JOCHJYFZSA-N 1 0 409.530 3.562 20 30 HHEDRO N#Cc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301390109 970903862 /nfs/dbraw/zinc/90/38/62/970903862.db2.gz ABTOXYLNGGIEPT-GOSISDBHSA-N 1 0 401.470 3.991 20 30 HHEDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n2c3ccccc3nc2c1C#N ZINC000301716959 971040094 /nfs/dbraw/zinc/04/00/94/971040094.db2.gz XYTPCLZSBQFMBY-FGZHOGPDSA-N 1 0 403.530 3.847 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc3ccccc3c2Br)CC1 ZINC000303274863 971592390 /nfs/dbraw/zinc/59/23/90/971592390.db2.gz KOQKIDBWNRGLFP-UHFFFAOYSA-N 1 0 403.320 3.748 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000303308706 971618236 /nfs/dbraw/zinc/61/82/36/971618236.db2.gz OKHUZMSPNLXTKI-UHFFFAOYSA-N 1 0 418.585 3.754 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000303318842 971626531 /nfs/dbraw/zinc/62/65/31/971626531.db2.gz UPCFJYPNLUAOFD-UHFFFAOYSA-N 1 0 405.951 3.685 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000303418539 971696409 /nfs/dbraw/zinc/69/64/09/971696409.db2.gz XOWKYUBSEXTWJB-SFHVURJKSA-N 1 0 400.592 3.685 20 30 HHEDRO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000303498174 971796734 /nfs/dbraw/zinc/79/67/34/971796734.db2.gz UJZCOPGSSDCSMJ-QGZVFWFLSA-N 1 0 403.448 3.877 20 30 HHEDRO Cc1cccnc1[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000303633154 971912983 /nfs/dbraw/zinc/91/29/83/971912983.db2.gz FWIBDVWLWJIWKT-QFIPXVFZSA-N 1 0 405.546 3.876 20 30 HHEDRO N#Cc1ccc(OCc2cccc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2)cc1 ZINC000303645559 971924710 /nfs/dbraw/zinc/92/47/10/971924710.db2.gz SDFPSQXLKWXVJC-UHFFFAOYSA-N 1 0 411.505 3.925 20 30 HHEDRO C[C@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)Nc1cc(F)ccc1F ZINC000303685914 971962290 /nfs/dbraw/zinc/96/22/90/971962290.db2.gz ZZJRFHQVWVCEJQ-HNNXBMFYSA-N 1 0 416.472 3.615 20 30 HHEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)N2CCCC2)cc1 ZINC000303708165 971972396 /nfs/dbraw/zinc/97/23/96/971972396.db2.gz MURWKJQEAUGFEK-LJQANCHMSA-N 1 0 402.926 3.921 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303721562 971976801 /nfs/dbraw/zinc/97/68/01/971976801.db2.gz RQTWOFMWDIWGBW-LJQANCHMSA-N 1 0 422.554 3.564 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000303733977 971986348 /nfs/dbraw/zinc/98/63/48/971986348.db2.gz VUCBYVWHFYFRLS-GOSISDBHSA-N 1 0 406.530 3.550 20 30 HHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553167357 1013126132 /nfs/dbraw/zinc/12/61/32/1013126132.db2.gz HJKQHDMVRRYVBK-OAQYLSRUSA-N 1 0 408.521 3.680 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303788953 972028581 /nfs/dbraw/zinc/02/85/81/972028581.db2.gz JPVGPWSHBNHPFZ-APWZRJJASA-N 1 0 417.962 3.885 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553219466 1013186528 /nfs/dbraw/zinc/18/65/28/1013186528.db2.gz YZVNPOPLPYAHNY-FXAWDEMLSA-N 1 0 414.912 3.596 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000303897779 972435870 /nfs/dbraw/zinc/43/58/70/972435870.db2.gz VCXOWXQTICCDTH-CQSZACIVSA-N 1 0 403.324 3.711 20 30 HHEDRO COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000303904655 972474601 /nfs/dbraw/zinc/47/46/01/972474601.db2.gz YXQLQZNZFQYLLV-HNAYVOBHSA-N 1 0 418.632 3.509 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 ZINC000303905882 972476848 /nfs/dbraw/zinc/47/68/48/972476848.db2.gz VSBKIEDTRLUAGZ-KUHUBIRLSA-N 1 0 420.916 3.676 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(OCc3ccccc3)c2)cc1OC ZINC000303909447 972480557 /nfs/dbraw/zinc/48/05/57/972480557.db2.gz YFAYFOYMPQZEAP-UHFFFAOYSA-N 1 0 405.498 3.887 20 30 HHEDRO CC(=O)NC1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000542243600 1013201717 /nfs/dbraw/zinc/20/17/17/1013201717.db2.gz RYRGMXAHJYKTCU-UHFFFAOYSA-N 1 0 416.591 3.596 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000553249947 1013215108 /nfs/dbraw/zinc/21/51/08/1013215108.db2.gz HASBJWYPUNWGRW-LJQANCHMSA-N 1 0 420.557 3.542 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000537706456 1013272650 /nfs/dbraw/zinc/27/26/50/1013272650.db2.gz LZEUIWWQUSEGMP-UHFFFAOYSA-N 1 0 407.514 3.859 20 30 HHEDRO C=CCOc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc1OC ZINC000537728664 1013290517 /nfs/dbraw/zinc/29/05/17/1013290517.db2.gz OIHSEHDWECFYDB-OAQYLSRUSA-N 1 0 410.514 3.836 20 30 HHEDRO COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000537766082 1013329200 /nfs/dbraw/zinc/32/92/00/1013329200.db2.gz AVRLKZKWLSFUAR-WMLDXEAASA-N 1 0 402.539 3.971 20 30 HHEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000553421765 1013341978 /nfs/dbraw/zinc/34/19/78/1013341978.db2.gz BLWPDHKIHZIOJU-CQSZACIVSA-N 1 0 416.319 3.800 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C[C@@H](C)O1 ZINC000553444096 1013358433 /nfs/dbraw/zinc/35/84/33/1013358433.db2.gz UBLLGNBTWVFCFK-HZPDHXFCSA-N 1 0 401.942 3.575 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000542420233 1013372006 /nfs/dbraw/zinc/37/20/06/1013372006.db2.gz YPDUUFCWGCEKMC-RXVVDRJESA-N 1 0 422.529 3.758 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC2)c1 ZINC000553460838 1013372577 /nfs/dbraw/zinc/37/25/77/1013372577.db2.gz YJNPIKIPKGCWCC-DEOSSOPVSA-N 1 0 403.501 3.854 20 30 HHEDRO O=C(c1cc(F)ccc1F)C(C(=S)Nc1ccccc1F)[n+]1cccc(CO)c1 ZINC000022696118 963700266 /nfs/dbraw/zinc/70/02/66/963700266.db2.gz KVZLRJQOQVCYLF-UHFFFAOYSA-O 1 0 417.432 3.935 20 30 HHEDRO COCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc2c(c1)CCCC2 ZINC000022794394 963718951 /nfs/dbraw/zinc/71/89/51/963718951.db2.gz VXARIZLQOWBMAN-UHFFFAOYSA-O 1 0 403.593 3.706 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000022806073 963720496 /nfs/dbraw/zinc/72/04/96/963720496.db2.gz ZFUGATYMUXLIAU-UHFFFAOYSA-N 1 0 404.558 3.758 20 30 HHEDRO CC(C)([C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542518478 1013462381 /nfs/dbraw/zinc/46/23/81/1013462381.db2.gz RZCNOBNXXAVDRN-NRFANRHFSA-N 1 0 418.532 3.813 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000542531054 1013474220 /nfs/dbraw/zinc/47/42/20/1013474220.db2.gz ISTPQSVPHWHCGN-PWSUYJOCSA-N 1 0 411.428 3.822 20 30 HHEDRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C3)cs1 ZINC000537895678 1013478699 /nfs/dbraw/zinc/47/86/99/1013478699.db2.gz AIVWAUQMXSWKBK-KRWDZBQOSA-N 1 0 411.552 3.850 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000025304430 964237208 /nfs/dbraw/zinc/23/72/08/964237208.db2.gz SFNPIJZLQCZNCP-IRLDBZIGSA-N 1 0 424.541 3.514 20 30 HHEDRO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000025438017 964269975 /nfs/dbraw/zinc/26/99/75/964269975.db2.gz SRCJZYCJWLPLDC-OAQYLSRUSA-N 1 0 409.534 3.560 20 30 HHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1 ZINC000537903682 1013488451 /nfs/dbraw/zinc/48/84/51/1013488451.db2.gz PUVODWYNOGRNGK-UHFFFAOYSA-N 1 0 405.285 3.898 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc(OC)c1OC ZINC000051778194 964696212 /nfs/dbraw/zinc/69/62/12/964696212.db2.gz QXTXVJDLQZZULL-FQEVSTJZSA-N 1 0 415.509 3.674 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)CCc3ccc(C#N)cc3)CC2)c1 ZINC000026959626 964733448 /nfs/dbraw/zinc/73/34/48/964733448.db2.gz BSXLGNUMAGPWSL-UHFFFAOYSA-N 1 0 404.558 3.518 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(-c2ccccc2)no1 ZINC000052485674 964916144 /nfs/dbraw/zinc/91/61/44/964916144.db2.gz YFQXYQJGLLDAGB-UHFFFAOYSA-N 1 0 410.547 3.835 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)cc2Oc2ccccc2)CC1 ZINC000553670113 1013535792 /nfs/dbraw/zinc/53/57/92/1013535792.db2.gz WOOGVDMEGULQDU-UHFFFAOYSA-N 1 0 421.541 3.560 20 30 HHEDRO CCC[N@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)Cc1ccc(C#N)cc1 ZINC000052826022 964994363 /nfs/dbraw/zinc/99/43/63/964994363.db2.gz WLTJNBHNFHFLPO-GOSISDBHSA-N 1 0 409.530 3.973 20 30 HHEDRO N#Cc1ccc(CSc2ccccc2C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000053450022 965174872 /nfs/dbraw/zinc/17/48/72/965174872.db2.gz QHTBFSGSIHSCGM-UHFFFAOYSA-N 1 0 409.555 3.693 20 30 HHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)c1C ZINC000028793517 965184845 /nfs/dbraw/zinc/18/48/45/965184845.db2.gz UKYALNKIFPFEBE-UHFFFAOYSA-O 1 0 422.530 3.665 20 30 HHEDRO Cc1nnc(NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C#N)c1C ZINC000029170661 965294455 /nfs/dbraw/zinc/29/44/55/965294455.db2.gz BZGWKRBYKFKDOV-UHFFFAOYSA-N 1 0 418.467 3.608 20 30 HHEDRO COc1ccc(CN2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2=O)cc1 ZINC000537985648 1013560676 /nfs/dbraw/zinc/56/06/76/1013560676.db2.gz CGLLRHCDJOYEJW-XRODLIKFSA-N 1 0 403.526 3.790 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000054424049 965510809 /nfs/dbraw/zinc/51/08/09/965510809.db2.gz BQFRROPXOGQXKZ-QPJJXVBHSA-N 1 0 408.933 3.871 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(C#N)c(C)c1C ZINC000057924072 965583998 /nfs/dbraw/zinc/58/39/98/965583998.db2.gz XHKZPGWRHWJEKZ-NRFANRHFSA-N 1 0 408.571 3.924 20 30 HHEDRO C[C@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCC12CCOCC2 ZINC000542656570 1013584383 /nfs/dbraw/zinc/58/43/83/1013584383.db2.gz SKHBMSPODIYLKA-HZPDHXFCSA-N 1 0 401.576 3.964 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000058275393 965671157 /nfs/dbraw/zinc/67/11/57/965671157.db2.gz MOEDPVAXSFJLFT-UHFFFAOYSA-N 1 0 420.557 3.631 20 30 HHEDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC2)CC1 ZINC000542676624 1013598749 /nfs/dbraw/zinc/59/87/49/1013598749.db2.gz UPNNBNIKELSLDY-UHFFFAOYSA-N 1 0 415.581 3.576 20 30 HHEDRO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580612 965793377 /nfs/dbraw/zinc/79/33/77/965793377.db2.gz JTHLBLCJXALMPS-UHFFFAOYSA-N 1 0 404.558 3.898 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000058967420 965975282 /nfs/dbraw/zinc/97/52/82/965975282.db2.gz JZALWWONAJRLGB-UHFFFAOYSA-N 1 0 407.905 3.806 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055752012 966048219 /nfs/dbraw/zinc/04/82/19/966048219.db2.gz CXBZHNSRVKJETP-PGRDOPGGSA-N 1 0 407.514 3.678 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060206204 966074685 /nfs/dbraw/zinc/07/46/85/966074685.db2.gz IRQLVAHGSDPMDU-UHFFFAOYSA-N 1 0 407.514 3.638 20 30 HHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055943165 966148560 /nfs/dbraw/zinc/14/85/60/966148560.db2.gz VGBJHTBNFKACQT-XLIONFOSSA-N 1 0 401.919 3.517 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000060523097 966189782 /nfs/dbraw/zinc/18/97/82/966189782.db2.gz XDDCXPGEIFDOKO-OAQYLSRUSA-N 1 0 412.917 3.741 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000553836862 1013647514 /nfs/dbraw/zinc/64/75/14/1013647514.db2.gz VBWUPYYDARPOQF-UHFFFAOYSA-N 1 0 411.449 3.507 20 30 HHEDRO Cc1cc(C)n(Cc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)n1 ZINC000061432951 966461639 /nfs/dbraw/zinc/46/16/39/966461639.db2.gz GWOORIWCGNOACC-UHFFFAOYSA-N 1 0 415.541 3.624 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000063320230 966816364 /nfs/dbraw/zinc/81/63/64/966816364.db2.gz VQTCTARPIDOKNP-UHFFFAOYSA-N 1 0 423.517 3.875 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000063402962 966844662 /nfs/dbraw/zinc/84/46/62/966844662.db2.gz FZGPOQHUNOIIEK-FQEVSTJZSA-N 1 0 400.454 3.734 20 30 HHEDRO CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc2c(c1)CCCC2 ZINC000063440103 966857751 /nfs/dbraw/zinc/85/77/51/966857751.db2.gz CJFBUIRIEPKCHB-UHFFFAOYSA-O 1 0 412.579 3.803 20 30 HHEDRO N#Cc1c(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)sc2c1CCCCC2 ZINC000063516032 966881185 /nfs/dbraw/zinc/88/11/85/966881185.db2.gz YRQSXYLCSVUODM-UHFFFAOYSA-N 1 0 400.592 3.777 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC ZINC000538125740 1013688088 /nfs/dbraw/zinc/68/80/88/1013688088.db2.gz FSKAXCPMTKWPPU-GFCCVEGCSA-N 1 0 403.504 3.552 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3N3CCCC3)CC2)cc1 ZINC000043485479 966979278 /nfs/dbraw/zinc/97/92/78/966979278.db2.gz FZWYCFOMYVVTII-UHFFFAOYSA-N 1 0 403.530 3.898 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCSCc1ccccc1F ZINC000043827281 967043196 /nfs/dbraw/zinc/04/31/96/967043196.db2.gz VKNUEYJUYWRTHZ-UHFFFAOYSA-N 1 0 414.550 3.704 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000538132927 1013695204 /nfs/dbraw/zinc/69/52/04/1013695204.db2.gz FOLYAQMXQZVMHZ-UHFFFAOYSA-N 1 0 413.541 3.830 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130038 967059850 /nfs/dbraw/zinc/05/98/50/967059850.db2.gz ZGCXRKVADKRKNR-LJQANCHMSA-N 1 0 400.542 3.659 20 30 HHEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000064140944 967063295 /nfs/dbraw/zinc/06/32/95/967063295.db2.gz BUZPPATZJIFFKL-MRXNPFEDSA-N 1 0 409.711 3.846 20 30 HHEDRO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c12 ZINC000064361150 967155609 /nfs/dbraw/zinc/15/56/09/967155609.db2.gz MOLUDAHVWDEEBG-UHFFFAOYSA-N 1 0 410.566 3.680 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000064381032 967161737 /nfs/dbraw/zinc/16/17/37/967161737.db2.gz ZNXUSAGADKXUBX-UHFFFAOYSA-N 1 0 411.731 3.891 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000064743541 967280152 /nfs/dbraw/zinc/28/01/52/967280152.db2.gz MEPDBQORVYLZQV-UHFFFAOYSA-N 1 0 421.545 3.599 20 30 HHEDRO C[C@@H]1CCC[C@](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)([NH+](C)C)C1 ZINC000553947362 1013716885 /nfs/dbraw/zinc/71/68/85/1013716885.db2.gz YCHABFUKVDMSON-HXOBKFHXSA-N 1 0 416.541 3.761 20 30 HHEDRO COc1ccc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000045317715 967420273 /nfs/dbraw/zinc/42/02/73/967420273.db2.gz XFXKDWGJKLQDEO-QHCPKHFHSA-N 1 0 406.530 3.791 20 30 HHEDRO CC[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000065433107 967463135 /nfs/dbraw/zinc/46/31/35/967463135.db2.gz PWDOBIRILFEPKA-GOSISDBHSA-N 1 0 410.949 3.943 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(C#N)c(C)c1C ZINC000065496720 967495092 /nfs/dbraw/zinc/49/50/92/967495092.db2.gz RIJXWZCUNJEBBQ-IBGZPJMESA-N 1 0 400.523 3.529 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000065527278 967508376 /nfs/dbraw/zinc/50/83/76/967508376.db2.gz KIFLXGWXQFVUFB-BGYRXZFFSA-N 1 0 411.594 3.536 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](C4CCCC4)CC3)sc2C1 ZINC000045768743 967549251 /nfs/dbraw/zinc/54/92/51/967549251.db2.gz POKOCTNWJPRCAD-MRXNPFEDSA-N 1 0 400.592 3.633 20 30 HHEDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1OC ZINC000538175813 1013735205 /nfs/dbraw/zinc/73/52/05/1013735205.db2.gz UEDCLORILBGUNF-PXDATVDWSA-N 1 0 421.541 3.694 20 30 HHEDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000538177036 1013736857 /nfs/dbraw/zinc/73/68/57/1013736857.db2.gz ZDIVIONDAFRVOB-PXDATVDWSA-N 1 0 423.557 3.940 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046788092 967966206 /nfs/dbraw/zinc/96/62/06/967966206.db2.gz HIOPUJHWLICOBB-UHFFFAOYSA-N 1 0 407.514 3.638 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000047008946 968030621 /nfs/dbraw/zinc/03/06/21/968030621.db2.gz SRAOTVALXYOZMV-UHFFFAOYSA-N 1 0 400.592 3.841 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000047234338 968097896 /nfs/dbraw/zinc/09/78/96/968097896.db2.gz VHRUKVDQBKAXPZ-UHFFFAOYSA-N 1 0 410.568 3.876 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000047402125 968177305 /nfs/dbraw/zinc/17/73/05/968177305.db2.gz XQEYEWHRRGXFKN-UHFFFAOYSA-N 1 0 406.530 3.667 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000047405654 968178693 /nfs/dbraw/zinc/17/86/93/968178693.db2.gz SJNQRRWIYOFFCC-KRWDZBQOSA-N 1 0 410.493 3.544 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(-n2ccnn2)cc1 ZINC000538230852 1013780020 /nfs/dbraw/zinc/78/00/20/1013780020.db2.gz ZUUHQHIKPDVFAS-DLBZAZTESA-N 1 0 420.542 3.808 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cccnc3N3CCOCC3)c2)c1 ZINC000047701806 968278971 /nfs/dbraw/zinc/27/89/71/968278971.db2.gz XFRSZXJYPUYTSX-UHFFFAOYSA-N 1 0 414.509 3.659 20 30 HHEDRO CC(C)[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000047782933 968310688 /nfs/dbraw/zinc/31/06/88/968310688.db2.gz MQUHFDJRFFGCOA-UHFFFAOYSA-N 1 0 416.576 3.696 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1cccc(F)c1 ZINC000048184598 968475269 /nfs/dbraw/zinc/47/52/69/968475269.db2.gz NNCSEOJZOJVKKU-HXUWFJFHSA-N 1 0 407.445 3.902 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000065930081 968719703 /nfs/dbraw/zinc/71/97/03/968719703.db2.gz QCQUAOLPNMRLNG-UHFFFAOYSA-N 1 0 401.510 3.926 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc(Br)c1 ZINC000065930477 968720627 /nfs/dbraw/zinc/72/06/27/968720627.db2.gz SEWWYFLFSBKPMS-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cc(Cl)ccc1Cl ZINC000065930842 968721870 /nfs/dbraw/zinc/72/18/70/968721870.db2.gz JIPQZLUNXOPZLX-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000071952237 968905160 /nfs/dbraw/zinc/90/51/60/968905160.db2.gz RDMVKTXOAMKDFG-QHCPKHFHSA-N 1 0 402.542 3.654 20 30 HHEDRO CCOc1cccc([C@H]2C[C@H]2NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000538304535 1013838218 /nfs/dbraw/zinc/83/82/18/1013838218.db2.gz IGMKGDXIFBTWSJ-DNQXCXABSA-N 1 0 418.541 3.730 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000538313925 1013844687 /nfs/dbraw/zinc/84/46/87/1013844687.db2.gz RZSQEKGBQZGFSN-OAQYLSRUSA-N 1 0 414.550 3.507 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000107593316 969318381 /nfs/dbraw/zinc/31/83/81/969318381.db2.gz TWROOKCTUACRMT-UHFFFAOYSA-N 1 0 421.589 3.895 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[NH+]2CCCC2)cc1 ZINC000108467868 969387311 /nfs/dbraw/zinc/38/73/11/969387311.db2.gz RTENWOQZCZJGJO-VWNXMTODSA-N 1 0 421.541 3.924 20 30 HHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000108927907 969436001 /nfs/dbraw/zinc/43/60/01/969436001.db2.gz GZPHPASOPCQRMD-GOSISDBHSA-N 1 0 400.563 3.990 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000108933977 969436645 /nfs/dbraw/zinc/43/66/45/969436645.db2.gz LZOXUPRUECGDCE-GOSISDBHSA-N 1 0 404.514 3.853 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000554252546 1013876594 /nfs/dbraw/zinc/87/65/94/1013876594.db2.gz JWFULHCDUCHVNH-FQEVSTJZSA-N 1 0 401.507 3.680 20 30 HHEDRO C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1ccccc1C#N ZINC000108969093 969442070 /nfs/dbraw/zinc/44/20/70/969442070.db2.gz LLGVMNOWPXJQPU-SFHVURJKSA-N 1 0 403.530 3.529 20 30 HHEDRO CCc1cccc(C)c1NC(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000109213549 969480148 /nfs/dbraw/zinc/48/01/48/969480148.db2.gz PHBAANXGMLZEEA-UHFFFAOYSA-N 1 0 408.546 3.819 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1C#N ZINC000111052265 969767916 /nfs/dbraw/zinc/76/79/16/969767916.db2.gz QCESFLAIQWBTOC-JOCHJYFZSA-N 1 0 419.573 3.524 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c1C#N ZINC000111056679 969768370 /nfs/dbraw/zinc/76/83/70/969768370.db2.gz KFTHJKIQXMWULC-UHFFFAOYSA-N 1 0 411.525 3.506 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000117271921 969945135 /nfs/dbraw/zinc/94/51/35/969945135.db2.gz YSISRQKRCNHGOE-QHCPKHFHSA-N 1 0 421.541 3.535 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000139613816 970038879 /nfs/dbraw/zinc/03/88/79/970038879.db2.gz XVKUJJRYRKCZSS-JOCHJYFZSA-N 1 0 406.530 3.869 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)ccc1OC ZINC000143001636 970177831 /nfs/dbraw/zinc/17/78/31/970177831.db2.gz PQYKINBBNILWJY-MRXNPFEDSA-N 1 0 404.532 3.872 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1ccc(N(C)CCC#N)cc1 ZINC000237053323 970214802 /nfs/dbraw/zinc/21/48/02/970214802.db2.gz JQDSDPJZECSHAY-UHFFFAOYSA-N 1 0 407.562 3.799 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)c2)CC1 ZINC000237093419 970221312 /nfs/dbraw/zinc/22/13/12/970221312.db2.gz FXGQLKIJXJZFKF-UHFFFAOYSA-N 1 0 414.557 3.823 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1OCCCC#N ZINC000237330817 970264300 /nfs/dbraw/zinc/26/43/00/970264300.db2.gz DBWHCHLLXITUDC-LJQANCHMSA-N 1 0 413.905 3.926 20 30 HHEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OCC(F)(F)F ZINC000237361156 970269742 /nfs/dbraw/zinc/26/97/42/970269742.db2.gz NXTUGLIMIOQLSA-UHFFFAOYSA-N 1 0 420.435 3.662 20 30 HHEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1NC(C)=O ZINC000237450350 970290736 /nfs/dbraw/zinc/29/07/36/970290736.db2.gz UOFDWMMDBHTRKL-UHFFFAOYSA-N 1 0 403.486 3.721 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2)C[C@H](C)O1 ZINC000237547295 970311460 /nfs/dbraw/zinc/31/14/60/970311460.db2.gz CKGHBMBGJZWAAW-BGYRXZFFSA-N 1 0 420.557 3.576 20 30 HHEDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)cn2)n1 ZINC000237791596 970368285 /nfs/dbraw/zinc/36/82/85/970368285.db2.gz IOTYJULADMMPQC-UHFFFAOYSA-N 1 0 411.513 3.951 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(-c2ccccc2)n1 ZINC000237829230 970376243 /nfs/dbraw/zinc/37/62/43/970376243.db2.gz SZDFTTQWGXLEMX-UHFFFAOYSA-N 1 0 407.562 3.588 20 30 HHEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2ccccc2)cn1 ZINC000171063876 970493597 /nfs/dbraw/zinc/49/35/97/970493597.db2.gz PYWJWFWNVLVEJM-UHFFFAOYSA-O 1 0 400.430 3.707 20 30 HHEDRO CC(C)[C@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000248170312 970517835 /nfs/dbraw/zinc/51/78/35/970517835.db2.gz RLXPIZNXUFSHBA-VWLOTQADSA-N 1 0 404.558 3.579 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000303969846 972557066 /nfs/dbraw/zinc/55/70/66/972557066.db2.gz CFYGQGLWRVWFNI-UHFFFAOYSA-N 1 0 418.335 3.933 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCN(c3ccccc3OC)C2)c1 ZINC000303976409 972561988 /nfs/dbraw/zinc/56/19/88/972561988.db2.gz KEEAPDSXYZAQME-QGZVFWFLSA-N 1 0 412.534 3.746 20 30 HHEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000303978473 972564352 /nfs/dbraw/zinc/56/43/52/972564352.db2.gz MFTPGZIHVYHFJX-AWEZNQCLSA-N 1 0 408.424 3.847 20 30 HHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000303986781 972569508 /nfs/dbraw/zinc/56/95/08/972569508.db2.gz UWTJYJUJSNXLKD-UHFFFAOYSA-N 1 0 415.545 3.810 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(Oc3cccc(F)c3)nc2)cc1OC ZINC000303986927 972569593 /nfs/dbraw/zinc/56/95/93/972569593.db2.gz UYVKNVVHAIQTTA-UHFFFAOYSA-N 1 0 410.449 3.635 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303990399 972570714 /nfs/dbraw/zinc/57/07/14/972570714.db2.gz YMUDCGHNCZQYPJ-IBGZPJMESA-N 1 0 422.451 3.514 20 30 HHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000554773412 1014044461 /nfs/dbraw/zinc/04/44/61/1014044461.db2.gz XPPVLQNWDALVHL-KRWDZBQOSA-N 1 0 408.502 3.526 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000304492787 972601018 /nfs/dbraw/zinc/60/10/18/972601018.db2.gz OIIPMOCGSRKFND-QGZVFWFLSA-N 1 0 410.440 3.810 20 30 HHEDRO COc1cc(OC)cc([C@@H](O)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304762197 972605496 /nfs/dbraw/zinc/60/54/96/972605496.db2.gz VJSDQZDIRZTNGB-ZMZPIMSZSA-N 1 0 412.317 3.710 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2CN(C)Cc2ccco2)c1 ZINC000304771538 972607243 /nfs/dbraw/zinc/60/72/43/972607243.db2.gz AFGORQGDRAFABH-UHFFFAOYSA-N 1 0 408.502 3.856 20 30 HHEDRO [NH2+]=C(NCCOc1ncccc1C(F)(F)F)Nc1ccccc1OC(F)(F)F ZINC000305176968 972610312 /nfs/dbraw/zinc/61/03/12/972610312.db2.gz AWNYRKXBDHIGDS-UHFFFAOYSA-N 1 0 408.302 3.805 20 30 HHEDRO [NH2+]=C(NCc1ccnc(OCC(F)(F)F)c1)Nc1ccccc1OC(F)(F)F ZINC000305216766 972611893 /nfs/dbraw/zinc/61/18/93/972611893.db2.gz ILATUAHFNOEZCJ-UHFFFAOYSA-N 1 0 408.302 3.848 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(Sc3ccccc3)cc2)CC1 ZINC000305220986 972611954 /nfs/dbraw/zinc/61/19/54/972611954.db2.gz TXBORLYXZKVHGF-UHFFFAOYSA-N 1 0 412.559 3.863 20 30 HHEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000311311099 972626896 /nfs/dbraw/zinc/62/68/96/972626896.db2.gz XGYCZHANOCKBLL-KRWDZBQOSA-N 1 0 423.351 3.950 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000409492336 972943427 /nfs/dbraw/zinc/94/34/27/972943427.db2.gz PVRUQMQRSONJCY-KBPBESRZSA-N 1 0 415.481 3.508 20 30 HHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)n2)c1 ZINC000409608180 973055534 /nfs/dbraw/zinc/05/55/34/973055534.db2.gz MKTZHJTXQXAPJX-UHFFFAOYSA-N 1 0 417.538 3.588 20 30 HHEDRO N#Cc1ccc(N2CC[C@H]([NH2+][C@H]3CCOc4c(Br)cccc43)C2=O)cc1 ZINC000409841664 973310426 /nfs/dbraw/zinc/31/04/26/973310426.db2.gz BBUVQZLPTXKWQZ-ROUUACIJSA-N 1 0 412.287 3.539 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)Nc1cccc(C#N)c1 ZINC000409850190 973318448 /nfs/dbraw/zinc/31/84/48/973318448.db2.gz LPJULOPEMTYPBP-SJCJKPOMSA-N 1 0 400.276 3.761 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)NC1(C#N)CCCCC1 ZINC000409874139 973340526 /nfs/dbraw/zinc/34/05/26/973340526.db2.gz KBMYQQRQQZHBDW-BBRMVZONSA-N 1 0 406.324 3.593 20 30 HHEDRO N#Cc1cc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)ccc1C(F)(F)F ZINC000410116564 973595836 /nfs/dbraw/zinc/59/58/36/973595836.db2.gz KJZNIHFFJHESNI-UHFFFAOYSA-N 1 0 423.460 3.868 20 30 HHEDRO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410394264 973993118 /nfs/dbraw/zinc/99/31/18/973993118.db2.gz WMYBLUNBLRUEPS-QGZVFWFLSA-N 1 0 415.563 3.577 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000425940245 974049626 /nfs/dbraw/zinc/04/96/26/974049626.db2.gz ASKPBEOSEPMBHP-ROUUACIJSA-N 1 0 420.513 3.668 20 30 HHEDRO N#Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)ccc1Oc1ccccc1 ZINC000425949036 974055540 /nfs/dbraw/zinc/05/55/40/974055540.db2.gz FZKYICUJUPESPX-UHFFFAOYSA-N 1 0 420.513 3.671 20 30 HHEDRO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC1CCN(c2ccccn2)CC1 ZINC000426454526 974460916 /nfs/dbraw/zinc/46/09/16/974460916.db2.gz QFWSNGFDLYECGQ-UHFFFAOYSA-N 1 0 411.575 3.809 20 30 HHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426537180 974513921 /nfs/dbraw/zinc/51/39/21/974513921.db2.gz FHOUBKVEXAWKAZ-ROUUACIJSA-N 1 0 420.513 3.668 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+]1CCC(C)CC1 ZINC000426663851 974589858 /nfs/dbraw/zinc/58/98/58/974589858.db2.gz NQLIECOWEBABRI-GOSISDBHSA-N 1 0 420.513 3.526 20 30 HHEDRO Cc1ccc(Cc2cnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s2)cc1F ZINC000426675324 974594581 /nfs/dbraw/zinc/59/45/81/974594581.db2.gz RDHAUIUVFTXIEF-UHFFFAOYSA-N 1 0 403.527 3.881 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCc1nc2ccccc2n1C ZINC000427121478 974921212 /nfs/dbraw/zinc/92/12/12/974921212.db2.gz IXZQBSSCGJLNGD-UHFFFAOYSA-N 1 0 410.591 3.714 20 30 HHEDRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)c1cccnc1C#N ZINC000428392841 975713787 /nfs/dbraw/zinc/71/37/87/975713787.db2.gz LHBHRFNJSMWUEP-CTXDPNEZSA-N 1 0 418.607 3.786 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)o2)cc1 ZINC000428555539 975867138 /nfs/dbraw/zinc/86/71/38/975867138.db2.gz YJQNDLLRFNDDRV-HXUWFJFHSA-N 1 0 417.465 3.549 20 30 HHEDRO Cn1cc(C[NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c(-c2ccc(C#N)cc2)n1 ZINC000428572569 975884013 /nfs/dbraw/zinc/88/40/13/975884013.db2.gz NCHKYMBSGSHDMJ-ILBGXUMGSA-N 1 0 418.516 3.961 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)nc1 ZINC000428801422 976079232 /nfs/dbraw/zinc/07/92/32/976079232.db2.gz FIEWIDFNQSNJRH-INIZCTEOSA-N 1 0 409.287 3.917 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2)c1 ZINC000428905638 976207567 /nfs/dbraw/zinc/20/75/67/976207567.db2.gz KAWQVNXAORMPRE-LJQANCHMSA-N 1 0 406.486 3.537 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429036522 976321059 /nfs/dbraw/zinc/32/10/59/976321059.db2.gz SVEGBTIZIGWNSV-JOCHJYFZSA-N 1 0 406.530 3.900 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000429055287 976341884 /nfs/dbraw/zinc/34/18/84/976341884.db2.gz STLDZOPLRKOAKV-ROUUACIJSA-N 1 0 414.550 3.700 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000429134693 976421200 /nfs/dbraw/zinc/42/12/00/976421200.db2.gz RJZLSQFGDIGQFC-AOMKIAJQSA-N 1 0 413.543 3.686 20 30 HHEDRO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H]1C(C)C ZINC000429354873 976620992 /nfs/dbraw/zinc/62/09/92/976620992.db2.gz PPUDBWWNDVZUPW-GUXCAODWSA-N 1 0 403.548 3.539 20 30 HHEDRO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429363744 976632910 /nfs/dbraw/zinc/63/29/10/976632910.db2.gz DPQSKAKGZZBVRO-GASCZTMLSA-N 1 0 404.942 3.508 20 30 HHEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000429387253 976660798 /nfs/dbraw/zinc/66/07/98/976660798.db2.gz KZMDTTWSOHIUAH-FQEVSTJZSA-N 1 0 412.331 3.850 20 30 HHEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429395041 976669193 /nfs/dbraw/zinc/66/91/93/976669193.db2.gz AYFOSXMGVXPVHS-NOZRDPDXSA-N 1 0 412.622 3.706 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1Cl ZINC000429394537 976669454 /nfs/dbraw/zinc/66/94/54/976669454.db2.gz QBCOBICLPHRPJU-QGZVFWFLSA-N 1 0 402.970 3.701 20 30 HHEDRO Cc1noc(C[C@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)c2ccccc2)n1 ZINC000429531204 976793077 /nfs/dbraw/zinc/79/30/77/976793077.db2.gz ATIZJANFRMUHJP-FQEVSTJZSA-N 1 0 423.904 3.852 20 30 HHEDRO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1Cl ZINC000429727213 977016989 /nfs/dbraw/zinc/01/69/89/977016989.db2.gz UVGYNJQOIFZUGK-UHFFFAOYSA-N 1 0 401.869 3.970 20 30 HHEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429792829 977071495 /nfs/dbraw/zinc/07/14/95/977071495.db2.gz VCMYMJNLNJLTQY-TZIWHRDSSA-N 1 0 420.960 3.935 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCC ZINC000430125675 977332942 /nfs/dbraw/zinc/33/29/42/977332942.db2.gz MPHLAKGHRUCJQO-HXUWFJFHSA-N 1 0 409.368 3.940 20 30 HHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430329313 977479996 /nfs/dbraw/zinc/47/99/96/977479996.db2.gz GVBVULSDDIZEFI-WBVHZDCISA-N 1 0 410.905 3.524 20 30 HHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430329311 977480059 /nfs/dbraw/zinc/48/00/59/977480059.db2.gz GVBVULSDDIZEFI-NVXWUHKLSA-N 1 0 410.905 3.524 20 30 HHEDRO C=CC[N@@H+](Cc1ccnn1-c1ccccc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000430743605 977722816 /nfs/dbraw/zinc/72/28/16/977722816.db2.gz RUXOTSFTXLVSPF-SFHVURJKSA-N 1 0 415.501 3.606 20 30 HHEDRO N#CCSc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000430753627 977731201 /nfs/dbraw/zinc/73/12/01/977731201.db2.gz AELAGTVOKSDNSD-UHFFFAOYSA-N 1 0 408.571 3.634 20 30 HHEDRO C=CCN1C(=O)N(C[C@H](c2ccco2)[NH+]2CCCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430981373 977927322 /nfs/dbraw/zinc/92/73/22/977927322.db2.gz WQDWNCVLNULLSH-NHCUHLMSSA-N 1 0 407.514 3.868 20 30 HHEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000430994371 977939280 /nfs/dbraw/zinc/93/92/80/977939280.db2.gz VEZZWFNYGARQJJ-CVDCTZTESA-N 1 0 407.514 3.690 20 30 HHEDRO COCCCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000431109600 978024103 /nfs/dbraw/zinc/02/41/03/978024103.db2.gz FGZCFBKQNOYBFA-UHFFFAOYSA-N 1 0 422.529 3.713 20 30 HHEDRO Cc1noc(C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)n1 ZINC000431179886 978079102 /nfs/dbraw/zinc/07/91/02/978079102.db2.gz NMCUAEDKWAYYKZ-BFUOFWGJSA-N 1 0 409.877 3.804 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431377984 978251943 /nfs/dbraw/zinc/25/19/43/978251943.db2.gz QTLQCGHBYKEHTE-GCJKJVERSA-N 1 0 418.541 3.596 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000431694035 978440872 /nfs/dbraw/zinc/44/08/72/978440872.db2.gz GELGGVMOZNUAHQ-UHFFFAOYSA-N 1 0 405.546 3.586 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)c2cc(C#N)cc(N(C)C)c2)[NH+]2CCCCC2)cc1 ZINC000432079042 978671284 /nfs/dbraw/zinc/67/12/84/978671284.db2.gz QXYYCEFIVHONFQ-HSZRJFAPSA-N 1 0 406.530 3.590 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432328411 978762777 /nfs/dbraw/zinc/76/27/77/978762777.db2.gz XEUVOYOLVGQUER-FQEVSTJZSA-N 1 0 418.541 3.790 20 30 HHEDRO N#Cc1cscc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000432409099 978800235 /nfs/dbraw/zinc/80/02/35/978800235.db2.gz XHCQFJMNDJQIAU-UHFFFAOYSA-N 1 0 403.511 3.589 20 30 HHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432453270 978820324 /nfs/dbraw/zinc/82/03/24/978820324.db2.gz IMRMKIFEEBAWHW-UHFFFAOYSA-N 1 0 406.530 3.824 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000432525692 978865176 /nfs/dbraw/zinc/86/51/76/978865176.db2.gz WHYCSJODVFHHTH-JOCHJYFZSA-N 1 0 418.541 3.838 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000432525693 978865305 /nfs/dbraw/zinc/86/53/05/978865305.db2.gz WHYCSJODVFHHTH-QFIPXVFZSA-N 1 0 418.541 3.838 20 30 HHEDRO N#Cc1cscc1C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000432709701 978943846 /nfs/dbraw/zinc/94/38/46/978943846.db2.gz QJBKUYJUFASADO-UHFFFAOYSA-N 1 0 416.550 3.872 20 30 HHEDRO CS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433022753 979044685 /nfs/dbraw/zinc/04/46/85/979044685.db2.gz XGNFJZJQUBMMQH-GOSISDBHSA-N 1 0 419.934 3.707 20 30 HHEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433066137 979056929 /nfs/dbraw/zinc/05/69/29/979056929.db2.gz GCLSOQWCOMNVEN-NHCUHLMSSA-N 1 0 404.470 3.580 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCSCc2ccccc2C#N)c(-c2ccncc2)n1 ZINC000433307000 979227092 /nfs/dbraw/zinc/22/70/92/979227092.db2.gz UFSVJEUXPWOSJJ-UHFFFAOYSA-N 1 0 402.527 3.753 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c(-c2ccncc2)n1 ZINC000433316139 979232018 /nfs/dbraw/zinc/23/20/18/979232018.db2.gz DPCLDXAPLWUUNF-UHFFFAOYSA-N 1 0 416.460 3.985 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000433327191 979239350 /nfs/dbraw/zinc/23/93/50/979239350.db2.gz NRMSYTDUUVSGTI-HXUWFJFHSA-N 1 0 404.493 3.756 20 30 HHEDRO N#CCCn1cc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000433330482 979241808 /nfs/dbraw/zinc/24/18/08/979241808.db2.gz BZHXRMKJOSSOAF-UHFFFAOYSA-N 1 0 414.557 3.655 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2cccnc2OC2CCCC2)c(-c2ccncc2)n1 ZINC000433344273 979250992 /nfs/dbraw/zinc/25/09/92/979250992.db2.gz RCCSCTJVQHZSAI-UHFFFAOYSA-N 1 0 402.502 3.865 20 30 HHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000434788092 980398823 /nfs/dbraw/zinc/39/88/23/980398823.db2.gz XNQCDROAXFBPLT-QUCCMNQESA-N 1 0 404.297 3.784 20 30 HHEDRO COC(=O)[C@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc(C#N)c1 ZINC000434861212 980454682 /nfs/dbraw/zinc/45/46/82/980454682.db2.gz LOPMCQMQLBHOFA-HSZRJFAPSA-N 1 0 403.482 3.787 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C3(c4cccc(C#N)c4)CC3)CC2)c1 ZINC000435035928 980586840 /nfs/dbraw/zinc/58/68/40/980586840.db2.gz RMAMOWKIOBMRTM-UHFFFAOYSA-N 1 0 416.569 3.617 20 30 HHEDRO C[N@H+](CCc1ccc(Br)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000435053933 980598825 /nfs/dbraw/zinc/59/88/25/980598825.db2.gz YFHMIVLYZHAFLB-MRXNPFEDSA-N 1 0 404.333 3.662 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435137878 980668694 /nfs/dbraw/zinc/66/86/94/980668694.db2.gz OWWKXTDZPWLVLE-UHFFFAOYSA-N 1 0 414.513 3.709 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CC2([S@](C)=O)CCC2)cc1OCC ZINC000435749244 981014783 /nfs/dbraw/zinc/01/47/83/981014783.db2.gz IRYZAWDYSZGYFJ-DEOSSOPVSA-N 1 0 416.381 3.803 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000436283559 981283348 /nfs/dbraw/zinc/28/33/48/981283348.db2.gz LRNQMBYZMYRBPZ-NRXGSXMXSA-N 1 0 408.564 3.830 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000436324785 981299618 /nfs/dbraw/zinc/29/96/18/981299618.db2.gz MJKIFNBGPUKXGA-LOSJGSFVSA-N 1 0 416.569 3.887 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000436413405 981355991 /nfs/dbraw/zinc/35/59/91/981355991.db2.gz PLJMQFXXXZAIOE-UHFFFAOYSA-N 1 0 405.468 3.828 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448223559 981638004 /nfs/dbraw/zinc/63/80/04/981638004.db2.gz OQKGVFSSUBZHOD-XLIONFOSSA-N 1 0 405.464 3.715 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000437009896 981684868 /nfs/dbraw/zinc/68/48/68/981684868.db2.gz MWUZDPZKAUPZCO-XZOQPEGZSA-N 1 0 418.541 3.765 20 30 HHEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437087301 981755395 /nfs/dbraw/zinc/75/53/95/981755395.db2.gz VBSGUGYIERJAMZ-AFJQURTJSA-N 1 0 408.502 3.659 20 30 HHEDRO COCCc1nc(C)c([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)s1 ZINC000437087436 981755419 /nfs/dbraw/zinc/75/54/19/981755419.db2.gz ODYYSDOIIVTFDB-NNGSBXSVSA-N 1 0 400.548 3.948 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437193983 981851117 /nfs/dbraw/zinc/85/11/17/981851117.db2.gz KMZWNCFQKFLLQA-UHFFFAOYSA-N 1 0 420.391 3.689 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)N(C)CCOCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000460159861 981931831 /nfs/dbraw/zinc/93/18/31/981931831.db2.gz JCPPFLXZCPHEMK-XMMPIXPASA-N 1 0 420.557 3.862 20 30 HHEDRO CCn1c(-c2ccccc2F)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460297467 982074403 /nfs/dbraw/zinc/07/44/03/982074403.db2.gz DGRJNEYBSSUOOG-UHFFFAOYSA-N 1 0 404.493 3.688 20 30 HHEDRO COc1cc(CNC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000460366177 982142440 /nfs/dbraw/zinc/14/24/40/982142440.db2.gz YRBCRGLVVCVHSI-CYGODWOOSA-N 1 0 406.530 3.523 20 30 HHEDRO N#Cc1csc(C(=O)Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000437575981 982206874 /nfs/dbraw/zinc/20/68/74/982206874.db2.gz IFKFEVLYCBLHDC-UHFFFAOYSA-N 1 0 417.538 3.632 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)C[C@H](C)O1 ZINC000437650905 982269656 /nfs/dbraw/zinc/26/96/56/982269656.db2.gz CBUVPOKBJVRQBO-CALCHBBNSA-N 1 0 407.505 3.871 20 30 HHEDRO N#Cc1cc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1Cl ZINC000437734124 982325617 /nfs/dbraw/zinc/32/56/17/982325617.db2.gz PTLDDLPUKISHJR-UHFFFAOYSA-N 1 0 410.905 3.817 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460547039 982333599 /nfs/dbraw/zinc/33/35/99/982333599.db2.gz WKRQPRKLABFDKO-SIKLNZKXSA-N 1 0 419.577 3.917 20 30 HHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460550818 982336947 /nfs/dbraw/zinc/33/69/47/982336947.db2.gz IEXUBQSXQRQOGG-FQEVSTJZSA-N 1 0 405.546 3.943 20 30 HHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460583372 982367950 /nfs/dbraw/zinc/36/79/50/982367950.db2.gz KJYUIWKGIITOMW-LJQANCHMSA-N 1 0 420.561 3.551 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437807086 982369056 /nfs/dbraw/zinc/36/90/56/982369056.db2.gz VWRUNOBHUOUIIW-YKCBXCCJSA-N 1 0 409.933 3.752 20 30 HHEDRO CC(C)Cn1c(-c2cccn2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460590701 982374125 /nfs/dbraw/zinc/37/41/25/982374125.db2.gz DMTOLLZTSFUGKD-UHFFFAOYSA-N 1 0 417.561 3.524 20 30 HHEDRO CSC1(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[NH+](C)CC1 ZINC000460645859 982419441 /nfs/dbraw/zinc/41/94/41/982419441.db2.gz IHUFGFHHNDWJDP-UHFFFAOYSA-N 1 0 408.571 3.852 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000437865411 982420510 /nfs/dbraw/zinc/42/05/10/982420510.db2.gz CPDHJBNJHZUSMX-JOCHJYFZSA-N 1 0 410.562 3.627 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000437901007 982449425 /nfs/dbraw/zinc/44/94/25/982449425.db2.gz IRFMLVNSCHMHHA-FCHUYYIVSA-N 1 0 408.933 3.985 20 30 HHEDRO CCOCCCn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC000460779247 982532089 /nfs/dbraw/zinc/53/20/89/982532089.db2.gz PEEJPRRHYQCPFC-UHFFFAOYSA-N 1 0 424.593 3.586 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000438034681 982538217 /nfs/dbraw/zinc/53/82/17/982538217.db2.gz KRMVKGUYTMDOBI-UHFFFAOYSA-N 1 0 421.545 3.840 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460796175 982549162 /nfs/dbraw/zinc/54/91/62/982549162.db2.gz FNDIADONOOKYHS-GHTZIAJQSA-N 1 0 413.566 3.608 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460801734 982554752 /nfs/dbraw/zinc/55/47/52/982554752.db2.gz YJMWDNGYLCITRW-RBUKOAKNSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460802724 982555178 /nfs/dbraw/zinc/55/51/78/982555178.db2.gz CHBROUYRNZWZDN-HKUYNNGSSA-N 1 0 401.530 3.739 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460956270 982689465 /nfs/dbraw/zinc/68/94/65/982689465.db2.gz FEJSLZFUWHCCBY-ROUUACIJSA-N 1 0 413.566 3.847 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438661054 982979143 /nfs/dbraw/zinc/97/91/43/982979143.db2.gz MOWUONHQNMXKCR-GOSISDBHSA-N 1 0 412.465 3.722 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](CCC#N)c3ccccc3)CC2)c1 ZINC000438856155 983122133 /nfs/dbraw/zinc/12/21/33/983122133.db2.gz WCCUSNDZJBJPRK-DEOSSOPVSA-N 1 0 419.573 3.851 20 30 HHEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000438858475 983124398 /nfs/dbraw/zinc/12/43/98/983124398.db2.gz OLYKVJVXUHZQHI-DEOSSOPVSA-N 1 0 419.573 3.668 20 30 HHEDRO COc1ccc([C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+](C)C)cc1OC ZINC000438862830 983128387 /nfs/dbraw/zinc/12/83/87/983128387.db2.gz XPBFAAJXIJMDQH-UXHICEINSA-N 1 0 410.518 3.651 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c(Cl)c1 ZINC000439441582 983410918 /nfs/dbraw/zinc/41/09/18/983410918.db2.gz SHZSTFFAIQIOBH-UHFFFAOYSA-N 1 0 410.865 3.708 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000439555458 983447902 /nfs/dbraw/zinc/44/79/02/983447902.db2.gz CEZZSUCMMKAHQM-HXUWFJFHSA-N 1 0 421.541 3.668 20 30 HHEDRO CCCc1c(NC(=O)NC2CCC(C[NH+](C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439692097 983503976 /nfs/dbraw/zinc/50/39/76/983503976.db2.gz OMVSDQJCSAMCOQ-UHFFFAOYSA-N 1 0 408.550 3.938 20 30 HHEDRO CCCc1c(NC(=O)NC2CC[NH+](CC3CC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439703112 983508777 /nfs/dbraw/zinc/50/87/77/983508777.db2.gz PKXHXYKZRDGHMF-UHFFFAOYSA-N 1 0 406.534 3.692 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440668336 983845981 /nfs/dbraw/zinc/84/59/81/983845981.db2.gz VGRCAUFKYQOCHT-MRXNPFEDSA-N 1 0 417.351 3.806 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440819729 983921144 /nfs/dbraw/zinc/92/11/44/983921144.db2.gz WVYLOQQAFAKIEK-SBUREZEXSA-N 1 0 409.555 3.691 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441283221 984157620 /nfs/dbraw/zinc/15/76/20/984157620.db2.gz WMTODOGKTBQNRG-MOPGFXCFSA-N 1 0 424.520 3.792 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441286756 984159821 /nfs/dbraw/zinc/15/98/21/984159821.db2.gz OVAOYVARRVPRQJ-IAGOWNOFSA-N 1 0 401.576 3.966 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCN2CCC3(CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000441356142 984204713 /nfs/dbraw/zinc/20/47/13/984204713.db2.gz LKFPIDMWMYDXTG-UHFFFAOYSA-N 1 0 406.578 3.995 20 30 HHEDRO COc1cc(C[NH2+]CC2CCC(C#N)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000441367351 984212306 /nfs/dbraw/zinc/21/23/06/984212306.db2.gz HLCZKDHAERMOAF-UHFFFAOYSA-N 1 0 401.385 3.964 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441501347 984289745 /nfs/dbraw/zinc/28/97/45/984289745.db2.gz DGHCJQSKOZGDGF-UHFFFAOYSA-N 1 0 401.514 3.952 20 30 HHEDRO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC[C@@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000441665379 984383132 /nfs/dbraw/zinc/38/31/32/984383132.db2.gz RYWFONSJEFUPQE-RTBURBONSA-N 1 0 418.541 3.525 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1C#N ZINC000441718987 984413521 /nfs/dbraw/zinc/41/35/21/984413521.db2.gz OQLUCPMNXVORFE-UHFFFAOYSA-N 1 0 418.541 3.886 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)CC1 ZINC000441825065 984479792 /nfs/dbraw/zinc/47/97/92/984479792.db2.gz RANQAABSXFZBHQ-UHFFFAOYSA-N 1 0 403.592 3.732 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000441833719 984486256 /nfs/dbraw/zinc/48/62/56/984486256.db2.gz AQOBQFLORLEZNL-SFHVURJKSA-N 1 0 409.530 3.836 20 30 HHEDRO Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000441981271 984578431 /nfs/dbraw/zinc/57/84/31/984578431.db2.gz AJFLVIPRPYNLRQ-UNMCSNQZSA-N 1 0 409.555 3.542 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000442198046 984719398 /nfs/dbraw/zinc/71/93/98/984719398.db2.gz YZCBMDCSWLNDNN-UHFFFAOYSA-N 1 0 404.514 3.718 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)c1C#N ZINC000442206421 984726042 /nfs/dbraw/zinc/72/60/42/984726042.db2.gz ZDHNZBUSZKVYOZ-UHFFFAOYSA-N 1 0 404.514 3.718 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC(F)(F)F ZINC000442209694 984728948 /nfs/dbraw/zinc/72/89/48/984728948.db2.gz SMXUOIHGFKJUBK-SUMWQHHRSA-N 1 0 408.424 3.937 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)CC1 ZINC000442302003 984799396 /nfs/dbraw/zinc/79/93/96/984799396.db2.gz UYCGHHVMNNPQEV-GOSISDBHSA-N 1 0 407.514 3.532 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462101820 985072672 /nfs/dbraw/zinc/07/26/72/985072672.db2.gz YZYYNYLTBIJXBU-UHFFFAOYSA-N 1 0 423.546 3.576 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190521 985172935 /nfs/dbraw/zinc/17/29/35/985172935.db2.gz LXHYKBOFEZWFQB-JPYJTQIMSA-N 1 0 412.493 3.996 20 30 HHEDRO CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C1=O ZINC000442798686 985219604 /nfs/dbraw/zinc/21/96/04/985219604.db2.gz YTRSXWMSAHHWLT-PMACEKPBSA-N 1 0 413.562 3.545 20 30 HHEDRO CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C1=O ZINC000442798690 985220056 /nfs/dbraw/zinc/22/00/56/985220056.db2.gz YTRSXWMSAHHWLT-VQTJNVASSA-N 1 0 413.562 3.545 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252687 985236672 /nfs/dbraw/zinc/23/66/72/985236672.db2.gz CJBRSTZKMOXECI-KDOFPFPSSA-N 1 0 400.429 3.802 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1cccs1 ZINC000462307988 985294417 /nfs/dbraw/zinc/29/44/17/985294417.db2.gz YVCACLBPWQZIOE-KSSFIOAISA-N 1 0 409.964 3.635 20 30 HHEDRO N#Cc1cccc([C@@H]2CN(C(=O)[C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)CCO2)c1 ZINC000443079017 985364909 /nfs/dbraw/zinc/36/49/09/985364909.db2.gz YBCLDTDGMKAOQN-RMTZWNOUSA-N 1 0 415.537 3.760 20 30 HHEDRO N#Cc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1O ZINC000443321424 985492563 /nfs/dbraw/zinc/49/25/63/985492563.db2.gz MWNNTHZEQUMQNQ-KRWDZBQOSA-N 1 0 417.431 3.790 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000443377663 985538443 /nfs/dbraw/zinc/53/84/43/985538443.db2.gz SXNJQEYOUUEAMU-UHFFFAOYSA-N 1 0 415.481 3.652 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443640044 985826641 /nfs/dbraw/zinc/82/66/41/985826641.db2.gz PYQRLWFCZYIYJO-AFMDSPMNSA-N 1 0 416.569 3.817 20 30 HHEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000443641951 985831739 /nfs/dbraw/zinc/83/17/39/985831739.db2.gz XHPYAQAACJBVHU-JXFKEZNVSA-N 1 0 404.445 3.823 20 30 HHEDRO CCCc1c(NC2CC[NH+](CCCC(=O)OC)CC2)cnn1-c1cccc(C#N)c1 ZINC000462911518 985843108 /nfs/dbraw/zinc/84/31/08/985843108.db2.gz NVAVYDIHUQKVKW-UHFFFAOYSA-N 1 0 409.534 3.526 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000462929762 985866633 /nfs/dbraw/zinc/86/66/33/985866633.db2.gz PIZKEOHVEXDWGS-UHFFFAOYSA-N 1 0 410.484 3.642 20 30 HHEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1F ZINC000468277598 985977770 /nfs/dbraw/zinc/97/77/70/985977770.db2.gz FWFBSNXMNIWKRO-AWEZNQCLSA-N 1 0 417.282 3.706 20 30 HHEDRO COc1ccc(-c2ncc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)s2)cc1 ZINC000463122638 986087071 /nfs/dbraw/zinc/08/70/71/986087071.db2.gz KHDMCWBXRUIRDY-UHFFFAOYSA-N 1 0 420.538 3.894 20 30 HHEDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000443902042 986099786 /nfs/dbraw/zinc/09/97/86/986099786.db2.gz QOPSEVMAQXLRBQ-FYYLOGMGSA-N 1 0 409.555 3.542 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)cc2)CC1 ZINC000468649684 986362643 /nfs/dbraw/zinc/36/26/43/986362643.db2.gz VXNHQMCSHPWMIK-UHFFFAOYSA-N 1 0 404.558 3.999 20 30 HHEDRO CC1CCC([N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]2CCCO2)CC1 ZINC000444193705 986371446 /nfs/dbraw/zinc/37/14/46/986371446.db2.gz LDZIMRWODGUDJA-ZOGYUUGASA-N 1 0 421.545 3.742 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444195455 986373444 /nfs/dbraw/zinc/37/34/44/986373444.db2.gz LFEDBLUYAWRRMU-SFHVURJKSA-N 1 0 417.985 3.698 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196495 986375310 /nfs/dbraw/zinc/37/53/10/986375310.db2.gz QBMWPMMSZOVNER-QZTJIDSGSA-N 1 0 414.619 3.881 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000468710712 986425505 /nfs/dbraw/zinc/42/55/05/986425505.db2.gz HRWZTIPJUGMFNK-UHFFFAOYSA-N 1 0 408.502 3.565 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000463504117 986479828 /nfs/dbraw/zinc/47/98/28/986479828.db2.gz YZIMITPHVPMBBC-QFIPXVFZSA-N 1 0 410.514 3.836 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463506959 986482196 /nfs/dbraw/zinc/48/21/96/986482196.db2.gz MQMWGGYBOQUMLS-ROUUACIJSA-N 1 0 401.432 3.669 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c1 ZINC000468775510 986487769 /nfs/dbraw/zinc/48/77/69/986487769.db2.gz BHVQPXNMRAOGHP-JOCHJYFZSA-N 1 0 413.468 3.928 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000468776458 986488562 /nfs/dbraw/zinc/48/85/62/986488562.db2.gz BEYSGPGEHXAWFP-URXFXBBRSA-N 1 0 420.532 3.837 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000444390625 986565899 /nfs/dbraw/zinc/56/58/99/986565899.db2.gz VXKSHSVPQLVGPN-UHFFFAOYSA-N 1 0 408.428 3.590 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000444399922 986580307 /nfs/dbraw/zinc/58/03/07/986580307.db2.gz XNYAWQMDEAATIB-UHFFFAOYSA-N 1 0 408.428 3.590 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000463634989 986610937 /nfs/dbraw/zinc/61/09/37/986610937.db2.gz FMYXOPWJDSJRHO-UHFFFAOYSA-N 1 0 409.530 3.963 20 30 HHEDRO C=CCc1cc(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc(OC)c1OC ZINC000468905858 986612836 /nfs/dbraw/zinc/61/28/36/986612836.db2.gz JGVDQJPDOFRKBY-UHFFFAOYSA-N 1 0 403.482 3.923 20 30 HHEDRO CCOC(=O)[C@](C)(C[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000468923365 986629735 /nfs/dbraw/zinc/62/97/35/986629735.db2.gz JHSCAIVTYDRAIB-IVZQSRNASA-N 1 0 413.905 3.649 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000444544448 986734257 /nfs/dbraw/zinc/73/42/57/986734257.db2.gz HKGDGAZDWSTFAC-GOSISDBHSA-N 1 0 407.514 3.576 20 30 HHEDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444602187 986789242 /nfs/dbraw/zinc/78/92/42/986789242.db2.gz YWBLASSOLYLONT-FGZHOGPDSA-N 1 0 419.569 3.749 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469091803 986806171 /nfs/dbraw/zinc/80/61/71/986806171.db2.gz XYAZCOGYQNBYHP-QHCPKHFHSA-N 1 0 424.495 3.540 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000469183496 986907728 /nfs/dbraw/zinc/90/77/28/986907728.db2.gz WLIWPWWUYFQNRG-HXUWFJFHSA-N 1 0 417.340 3.735 20 30 HHEDRO CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000444754954 986917298 /nfs/dbraw/zinc/91/72/98/986917298.db2.gz VFTYGNRIJQYVAH-OALUTQOASA-N 1 0 412.578 3.724 20 30 HHEDRO C=CC[C@@H]1[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CCCC1(C)C ZINC000444781960 986937739 /nfs/dbraw/zinc/93/77/39/986937739.db2.gz PZHXYARIEDBMBH-QFIPXVFZSA-N 1 0 411.590 3.783 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000444828222 986984317 /nfs/dbraw/zinc/98/43/17/986984317.db2.gz RMGLBUXOHQCNRY-GOSISDBHSA-N 1 0 422.529 3.968 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1C#N ZINC000444919158 987066793 /nfs/dbraw/zinc/06/67/93/987066793.db2.gz CRIYWWJMNRNBRZ-JOCHJYFZSA-N 1 0 422.529 3.624 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2Cc3cccc(Br)c3C[C@@H]2CC)CC1 ZINC000445095628 987207110 /nfs/dbraw/zinc/20/71/10/987207110.db2.gz VPNYWYVCABAKGE-KRWDZBQOSA-N 1 0 406.368 3.946 20 30 HHEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)CC1 ZINC000469734332 987384890 /nfs/dbraw/zinc/38/48/90/987384890.db2.gz PAUNDTSBLGKXHX-UHFFFAOYSA-N 1 0 421.589 3.576 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000469787982 987433037 /nfs/dbraw/zinc/43/30/37/987433037.db2.gz SHKJZRLFKJFPSK-CYGODWOOSA-N 1 0 401.514 3.854 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000469790415 987435376 /nfs/dbraw/zinc/43/53/76/987435376.db2.gz KZWWCOJCDSARBB-OAHLLOKOSA-N 1 0 404.352 3.754 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000469825180 987461517 /nfs/dbraw/zinc/46/15/17/987461517.db2.gz QGUBAGAWUCQAMC-FQEVSTJZSA-N 1 0 406.917 3.675 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000470095946 987996694 /nfs/dbraw/zinc/99/66/94/987996694.db2.gz FNQIRIBHFBRIML-HNNXBMFYSA-N 1 0 400.441 3.501 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+](C)CC23CCCCC3)ccc1Cl ZINC000470209686 988133543 /nfs/dbraw/zinc/13/35/43/988133543.db2.gz MAIQBFPBRGMVFU-UHFFFAOYSA-N 1 0 402.970 3.845 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470217412 988143263 /nfs/dbraw/zinc/14/32/63/988143263.db2.gz ZIBLBNZOPVSXTD-DBXWQHBBSA-N 1 0 402.970 3.924 20 30 HHEDRO C[C@H]1CCCN(c2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccn2)C1 ZINC000464287686 988409936 /nfs/dbraw/zinc/40/99/36/988409936.db2.gz WYTGXLQPBLICSQ-FQEVSTJZSA-N 1 0 417.557 3.606 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C[NH+]1CCCCC1 ZINC000470539413 988546207 /nfs/dbraw/zinc/54/62/07/988546207.db2.gz XTOLYZSMHUEMLH-GOSISDBHSA-N 1 0 411.550 3.513 20 30 HHEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470544643 988553572 /nfs/dbraw/zinc/55/35/72/988553572.db2.gz YJGSDHIVYHVTII-UHFFFAOYSA-N 1 0 411.550 3.654 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)ccc21 ZINC000470549040 988559610 /nfs/dbraw/zinc/55/96/10/988559610.db2.gz ZDAFJJWJGZUANO-IBGZPJMESA-N 1 0 423.561 3.609 20 30 HHEDRO CC(C)[NH+](CCN(C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(C)C ZINC000470554713 988568724 /nfs/dbraw/zinc/56/87/24/988568724.db2.gz AQQJBCPMCRBFAL-UHFFFAOYSA-N 1 0 413.566 3.852 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000464631520 988805855 /nfs/dbraw/zinc/80/58/55/988805855.db2.gz WBRGBRZKHRSDGJ-KRWDZBQOSA-N 1 0 411.550 3.943 20 30 HHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470881322 988951992 /nfs/dbraw/zinc/95/19/92/988951992.db2.gz AAMYNUWQXXMVHN-OAQYLSRUSA-N 1 0 404.539 3.736 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000464773483 988998435 /nfs/dbraw/zinc/99/84/35/988998435.db2.gz JGHYFXKMANZTRF-SJORKVTESA-N 1 0 402.608 3.737 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470964459 989028795 /nfs/dbraw/zinc/02/87/95/989028795.db2.gz YOHAZLKRBVXTTL-FUHWJXTLSA-N 1 0 414.619 3.879 20 30 HHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834717 989076551 /nfs/dbraw/zinc/07/65/51/989076551.db2.gz SYKNHULZOPXERQ-IEBWSBKVSA-N 1 0 410.949 3.993 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464837782 989082066 /nfs/dbraw/zinc/08/20/66/989082066.db2.gz ULGPDDCSYSGELX-VXKWHMMOSA-N 1 0 404.558 3.918 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464849592 989101512 /nfs/dbraw/zinc/10/15/12/989101512.db2.gz NZBSDEWREMMROC-IEBWSBKVSA-N 1 0 422.598 3.889 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045335 989123243 /nfs/dbraw/zinc/12/32/43/989123243.db2.gz YXMVNKKQZFNQOS-IRXDYDNUSA-N 1 0 402.608 3.737 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000471047825 989126911 /nfs/dbraw/zinc/12/69/11/989126911.db2.gz MHIPLWNVPOIASF-GOTSBHOMSA-N 1 0 418.541 3.765 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464892628 989161891 /nfs/dbraw/zinc/16/18/91/989161891.db2.gz HZXNWNDKCOQPMN-FQEVSTJZSA-N 1 0 408.542 3.926 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000471225739 989369025 /nfs/dbraw/zinc/36/90/25/989369025.db2.gz DXQZOTXSWQHOMR-JTSKRJEESA-N 1 0 407.562 3.566 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000471241976 989387314 /nfs/dbraw/zinc/38/73/14/989387314.db2.gz DQLKZWHZXKXAIM-GOSISDBHSA-N 1 0 423.590 3.927 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000471274924 989425921 /nfs/dbraw/zinc/42/59/21/989425921.db2.gz YXVYJMYGVIYWNS-FQEVSTJZSA-N 1 0 415.493 3.982 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465379730 989732310 /nfs/dbraw/zinc/73/23/10/989732310.db2.gz TXGNQOOYZKMJAI-UHFFFAOYSA-N 1 0 403.526 3.942 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000471743655 989939211 /nfs/dbraw/zinc/93/92/11/989939211.db2.gz HVKPBCAPNAKYTO-CYFREDJKSA-N 1 0 400.526 3.931 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000465576700 989945734 /nfs/dbraw/zinc/94/57/34/989945734.db2.gz RRSWVYOSUHQPOR-IBGZPJMESA-N 1 0 406.530 3.811 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000471800132 989983826 /nfs/dbraw/zinc/98/38/26/989983826.db2.gz UGUQDGPANWXTQV-JTHBVZDNSA-N 1 0 416.525 3.593 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)C2)n1 ZINC000471800843 989984732 /nfs/dbraw/zinc/98/47/32/989984732.db2.gz SUFNMCYQDUHULK-QHCPKHFHSA-N 1 0 423.605 3.593 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)n1 ZINC000471878907 990051647 /nfs/dbraw/zinc/05/16/47/990051647.db2.gz WRUBYVBDFWIGGY-FYYLOGMGSA-N 1 0 423.605 3.593 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466520967 991813803 /nfs/dbraw/zinc/81/38/03/991813803.db2.gz VJWRETUTPCBJQP-SIKLNZKXSA-N 1 0 418.541 3.774 20 30 HHEDRO CN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000466603118 991919573 /nfs/dbraw/zinc/91/95/73/991919573.db2.gz AJGPZQZMRHTEED-HXUWFJFHSA-N 1 0 407.518 3.892 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 ZINC000467079283 992386093 /nfs/dbraw/zinc/38/60/93/992386093.db2.gz MMHATNZTBMMJEM-UHFFFAOYSA-N 1 0 403.482 3.764 20 30 HHEDRO CCN(C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000467295588 992621234 /nfs/dbraw/zinc/62/12/34/992621234.db2.gz RFSRNJVJDVAAHK-OAQYLSRUSA-N 1 0 404.558 3.989 20 30 HHEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000467361819 992680512 /nfs/dbraw/zinc/68/05/12/992680512.db2.gz JUYQCWWLHKSUMQ-FOIQADDNSA-N 1 0 401.432 3.899 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(Cl)c(N4CCNC4=O)c3)CC2)cc1 ZINC000467406622 992713235 /nfs/dbraw/zinc/71/32/35/992713235.db2.gz KRUMPFMTQNEPBP-UHFFFAOYSA-N 1 0 409.921 3.818 20 30 HHEDRO Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1OCC[NH+]1CCCC1 ZINC000467434695 992732400 /nfs/dbraw/zinc/73/24/00/992732400.db2.gz VXNWVWPLUNOBJC-UHFFFAOYSA-N 1 0 419.934 3.796 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000467615661 992881217 /nfs/dbraw/zinc/88/12/17/992881217.db2.gz WIHRAZPQGVVRQX-UHFFFAOYSA-N 1 0 407.543 3.908 20 30 HHEDRO COC1CCC([N@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000472234628 993263403 /nfs/dbraw/zinc/26/34/03/993263403.db2.gz WIGYKHUZWLFSOQ-UHFFFAOYSA-N 1 0 412.534 3.836 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC([NH+]3CCCC3)CC2)c1C#N ZINC000472235663 993264107 /nfs/dbraw/zinc/26/41/07/993264107.db2.gz BJFHNIVQCCQMFQ-UHFFFAOYSA-N 1 0 423.561 3.507 20 30 HHEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000472492520 993493942 /nfs/dbraw/zinc/49/39/42/993493942.db2.gz COZJWCRQOHYMMP-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO Cc1ccccc1Cc1nnc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000472745114 993675753 /nfs/dbraw/zinc/67/57/53/993675753.db2.gz DSBBQMFKHSFICK-UHFFFAOYSA-N 1 0 401.514 3.548 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000480854803 993726949 /nfs/dbraw/zinc/72/69/49/993726949.db2.gz GDXMWYVBSDIMRM-UHFFFAOYSA-N 1 0 422.598 3.807 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000480894871 993753383 /nfs/dbraw/zinc/75/33/83/993753383.db2.gz GPVOOAZTCSAYOY-SCLBCKFNSA-N 1 0 411.449 3.547 20 30 HHEDRO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000481177502 994008247 /nfs/dbraw/zinc/00/82/47/994008247.db2.gz QLCKIHAHYUGWTQ-UWJYYQICSA-N 1 0 412.578 3.914 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1cccs1 ZINC000473111132 994009267 /nfs/dbraw/zinc/00/92/67/994009267.db2.gz YFIMJWMOXZSZMA-NRFANRHFSA-N 1 0 417.534 3.506 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185180 994016166 /nfs/dbraw/zinc/01/61/66/994016166.db2.gz WDMKSKISEKVRPT-FOVJLYNBSA-N 1 0 402.542 3.554 20 30 HHEDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000473258054 994108814 /nfs/dbraw/zinc/10/88/14/994108814.db2.gz XHDZAGPSKTZGCF-UHFFFAOYSA-N 1 0 420.513 3.668 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1C#N ZINC000481408389 994242730 /nfs/dbraw/zinc/24/27/30/994242730.db2.gz MWPTVNXWXDWIJH-UTKZUKDTSA-N 1 0 412.509 3.526 20 30 HHEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481677548 994537149 /nfs/dbraw/zinc/53/71/49/994537149.db2.gz OEZCKAMWQUYLQU-HSZRJFAPSA-N 1 0 411.571 3.943 20 30 HHEDRO CCOC(=O)C[C@](C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000481706484 994567695 /nfs/dbraw/zinc/56/76/95/994567695.db2.gz NPAUVGPARBPNEU-NRFANRHFSA-N 1 0 405.564 3.785 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@]3(C1)OCc1ccccc13)CCC2 ZINC000481717121 994578273 /nfs/dbraw/zinc/57/82/73/994578273.db2.gz ISGUUFZQHQSUCP-QHCPKHFHSA-N 1 0 407.539 3.959 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481848632 994703977 /nfs/dbraw/zinc/70/39/77/994703977.db2.gz OZEOJTVCEIVDDB-APTRMMRNSA-N 1 0 403.526 3.839 20 30 HHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000481889532 994756987 /nfs/dbraw/zinc/75/69/87/994756987.db2.gz LYDUHKMJYUOJRR-VQIMIIECSA-N 1 0 401.919 3.517 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000481923640 994796175 /nfs/dbraw/zinc/79/61/75/994796175.db2.gz KEVOWBLLRSKMHR-DEOSSOPVSA-N 1 0 402.542 3.654 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000482074281 995008521 /nfs/dbraw/zinc/00/85/21/995008521.db2.gz AKSPNYRUSMMKHO-DNQXCXABSA-N 1 0 418.541 3.553 20 30 HHEDRO CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474035586 995025799 /nfs/dbraw/zinc/02/57/99/995025799.db2.gz UKWNEPWNWPZUDH-KNQAVFIVSA-N 1 0 406.530 3.804 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC(C)(C)O ZINC000474178653 995168929 /nfs/dbraw/zinc/16/89/29/995168929.db2.gz UTLNZFGPRZZFLG-UHFFFAOYSA-N 1 0 414.525 3.585 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)c1 ZINC000474266675 995264574 /nfs/dbraw/zinc/26/45/74/995264574.db2.gz NPJCQZGKXQCIGJ-UHFFFAOYSA-N 1 0 403.461 3.734 20 30 HHEDRO CC1([N@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000474287779 995280938 /nfs/dbraw/zinc/28/09/38/995280938.db2.gz YCTOUUPKTSFNKV-UHFFFAOYSA-N 1 0 405.498 3.738 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000474531873 995498012 /nfs/dbraw/zinc/49/80/12/995498012.db2.gz AJYPZSWWSJBHSS-UHFFFAOYSA-N 1 0 412.578 3.869 20 30 HHEDRO CCCc1c(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482512446 995522791 /nfs/dbraw/zinc/52/27/91/995522791.db2.gz RNGUGESUAVVSDY-YLJYHZDGSA-N 1 0 406.534 3.787 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000474798571 995714486 /nfs/dbraw/zinc/71/44/86/995714486.db2.gz DBCBNIKUVLYJCN-UHFFFAOYSA-N 1 0 420.557 3.691 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)C(C)C ZINC000482769428 995736781 /nfs/dbraw/zinc/73/67/81/995736781.db2.gz QTUYGHJEUVIJQG-QFIPXVFZSA-N 1 0 417.569 3.603 20 30 HHEDRO Cc1cccc(CC2(O)CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000482948565 995874652 /nfs/dbraw/zinc/87/46/52/995874652.db2.gz NMJDRSWHTKVARU-UHFFFAOYSA-N 1 0 423.582 3.815 20 30 HHEDRO Cc1nc(SCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000475315916 996065418 /nfs/dbraw/zinc/06/54/18/996065418.db2.gz YOVXQTFPVZTLJT-HXUWFJFHSA-N 1 0 408.571 3.704 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483406822 996157539 /nfs/dbraw/zinc/15/75/39/996157539.db2.gz MOAKVCAXBOYFBD-FUHWJXTLSA-N 1 0 414.493 3.922 20 30 HHEDRO CNC(=O)C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000483410039 996160274 /nfs/dbraw/zinc/16/02/74/996160274.db2.gz BFRSRNCHHIWXCR-IBGZPJMESA-N 1 0 424.570 3.684 20 30 HHEDRO N#Cc1ccc(SCC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000483442451 996182429 /nfs/dbraw/zinc/18/24/29/996182429.db2.gz UQGMPXAVQPAQTB-UHFFFAOYSA-N 1 0 406.555 3.821 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483482792 996209342 /nfs/dbraw/zinc/20/93/42/996209342.db2.gz KYZRXONNVTZPSL-AKIFATBCSA-N 1 0 408.590 3.704 20 30 HHEDRO C[N@@H+]1CCC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488295 996213444 /nfs/dbraw/zinc/21/34/44/996213444.db2.gz JBFCBNINKDDCFX-VQIMIIECSA-N 1 0 400.592 3.633 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)CC2(C#N)CCCCC2)cc1 ZINC000475550422 996214882 /nfs/dbraw/zinc/21/48/82/996214882.db2.gz SMEAGVKBIRXKDB-LJQANCHMSA-N 1 0 403.592 3.954 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000475555130 996216854 /nfs/dbraw/zinc/21/68/54/996216854.db2.gz KSTMCSLUSNMFKG-FQEVSTJZSA-N 1 0 400.567 3.603 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000483587275 996268632 /nfs/dbraw/zinc/26/86/32/996268632.db2.gz BZZIHMUSPNGDSH-RBBKRZOGSA-N 1 0 405.546 3.637 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1C ZINC000475669905 996290310 /nfs/dbraw/zinc/29/03/10/996290310.db2.gz GEPKXXZCCTXRMB-VWLOTQADSA-N 1 0 405.542 3.620 20 30 HHEDRO N#CC1(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCCC1 ZINC000475776303 996364044 /nfs/dbraw/zinc/36/40/44/996364044.db2.gz SGSQIMRUVDVOLE-UHFFFAOYSA-N 1 0 403.592 3.956 20 30 HHEDRO CCS[C@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000484241704 996654542 /nfs/dbraw/zinc/65/45/42/996654542.db2.gz GHSVKEPWBNYPCF-RTWAWAEBSA-N 1 0 400.592 3.840 20 30 HHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476206409 996676847 /nfs/dbraw/zinc/67/68/47/996676847.db2.gz RWHQKPNBYMIVHF-KOENEWCDSA-N 1 0 420.557 3.720 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000484302245 996689740 /nfs/dbraw/zinc/68/97/40/996689740.db2.gz PNQNDFKEGBEWKX-QGZVFWFLSA-N 1 0 412.534 3.738 20 30 HHEDRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3ccccc3C#N)CC2)no1 ZINC000484323685 996703364 /nfs/dbraw/zinc/70/33/64/996703364.db2.gz RXGFRNBYZQKRIQ-UHFFFAOYSA-N 1 0 404.470 3.875 20 30 HHEDRO COc1ccccc1-c1nc(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)no1 ZINC000484323817 996703843 /nfs/dbraw/zinc/70/38/43/996703843.db2.gz MDILKLLGSWXZED-UHFFFAOYSA-N 1 0 404.470 3.875 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000476430731 996901453 /nfs/dbraw/zinc/90/14/53/996901453.db2.gz KNMWQBZMTNEZEV-HXUWFJFHSA-N 1 0 409.555 3.676 20 30 HHEDRO CS[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1[NH+]1CCCC1 ZINC000484616789 996949535 /nfs/dbraw/zinc/94/95/35/996949535.db2.gz NEDZNAZOGGMNNQ-ILZDJORESA-N 1 0 418.632 3.531 20 30 HHEDRO COc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1Cl ZINC000485015937 997380760 /nfs/dbraw/zinc/38/07/60/997380760.db2.gz VSHWMQIRLKPLKS-UHFFFAOYSA-N 1 0 416.884 3.510 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000485047147 997412500 /nfs/dbraw/zinc/41/25/00/997412500.db2.gz UVMUWIUTTYPHBJ-UHFFFAOYSA-N 1 0 401.894 3.697 20 30 HHEDRO Cc1ccccc1C1(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000485304238 997710777 /nfs/dbraw/zinc/71/07/77/997710777.db2.gz QMZPKGCTZZJTQB-HSZRJFAPSA-N 1 0 403.526 3.700 20 30 HHEDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485314095 997723710 /nfs/dbraw/zinc/72/37/10/997723710.db2.gz DXYYUXDLXADFMF-VGSWGCGISA-N 1 0 419.529 3.934 20 30 HHEDRO CCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000485332854 997748134 /nfs/dbraw/zinc/74/81/34/997748134.db2.gz HKWSDTSRXJVWSZ-UHFFFAOYSA-N 1 0 402.930 3.787 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000477099300 997753230 /nfs/dbraw/zinc/75/32/30/997753230.db2.gz KAWVRDXFXRAZBT-OAHLLOKOSA-N 1 0 411.518 3.502 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(OC)c1 ZINC000477461264 998173848 /nfs/dbraw/zinc/17/38/48/998173848.db2.gz AWNHQUVGNQIPMM-WOJBJXKFSA-N 1 0 411.498 3.729 20 30 HHEDRO Cc1ccc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000477465071 998179356 /nfs/dbraw/zinc/17/93/56/998179356.db2.gz SUCMXWSCSTZZQV-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000477511888 998232618 /nfs/dbraw/zinc/23/26/18/998232618.db2.gz QUOATOBFOHGPPX-UHFFFAOYSA-N 1 0 403.473 3.803 20 30 HHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000485849529 998313378 /nfs/dbraw/zinc/31/33/78/998313378.db2.gz VUDXTNFVFNJTFQ-UHFFFAOYSA-N 1 0 406.530 3.777 20 30 HHEDRO COc1ccc(NC(=O)C2([NH2+]CCCOc3cccc(C#N)c3)CCCC2)cc1OC ZINC000477643905 998359801 /nfs/dbraw/zinc/35/98/01/998359801.db2.gz LHJKQIHNUOYHNA-UHFFFAOYSA-N 1 0 423.513 3.885 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000477862321 998613203 /nfs/dbraw/zinc/61/32/03/998613203.db2.gz YKIAQPGJGGKHSM-LJQANCHMSA-N 1 0 407.411 3.798 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000478143476 998783989 /nfs/dbraw/zinc/78/39/89/998783989.db2.gz JOHOCNHXCPQDKE-ROUUACIJSA-N 1 0 424.570 3.514 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000478248202 998844761 /nfs/dbraw/zinc/84/47/61/998844761.db2.gz FZYBESIDSUNRBX-QGZVFWFLSA-N 1 0 416.591 3.648 20 30 HHEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486838233 998965694 /nfs/dbraw/zinc/96/56/94/998965694.db2.gz FLOCMGLCVZSGDY-AUSIDOKSSA-N 1 0 401.470 3.566 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486843449 998968689 /nfs/dbraw/zinc/96/86/89/998968689.db2.gz RJMRWGDDWFEJHU-BFDANITOSA-N 1 0 421.545 3.533 20 30 HHEDRO CCCCOc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000486885322 998991124 /nfs/dbraw/zinc/99/11/24/998991124.db2.gz UFUJVIZPWDWAFX-OAQYLSRUSA-N 1 0 407.514 3.636 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Cl)c(Br)c3)C2=O)cc1 ZINC000486901116 998998234 /nfs/dbraw/zinc/99/82/34/998998234.db2.gz UFHPUQBBAAGBPI-GOSISDBHSA-N 1 0 418.722 3.865 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)CC1 ZINC000478749165 999121151 /nfs/dbraw/zinc/12/11/51/999121151.db2.gz UZAFWXIAKZPGEM-UHFFFAOYSA-N 1 0 416.529 3.765 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487276979 999121729 /nfs/dbraw/zinc/12/17/29/999121729.db2.gz YUBZWVSUQACXNS-APTRMMRNSA-N 1 0 405.542 3.988 20 30 HHEDRO Cc1cc(Br)ccc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000487730248 999268996 /nfs/dbraw/zinc/26/89/96/999268996.db2.gz UHZNJJYCPGZOAE-UHFFFAOYSA-N 1 0 414.347 3.762 20 30 HHEDRO CN(C)C(=O)Nc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000479054623 999270349 /nfs/dbraw/zinc/27/03/49/999270349.db2.gz ZWJQGMWZJKFFDD-UHFFFAOYSA-N 1 0 402.502 3.847 20 30 HHEDRO CC(C)(C)n1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C1CC1 ZINC000479208735 999326982 /nfs/dbraw/zinc/32/69/82/999326982.db2.gz ANSZQCOKEVTNFC-UHFFFAOYSA-N 1 0 405.546 3.804 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(F)cc1 ZINC000487970467 999331733 /nfs/dbraw/zinc/33/17/33/999331733.db2.gz RWVFFHPERWVCNN-KRWDZBQOSA-N 1 0 405.271 3.884 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(F)cc1 ZINC000487970468 999331744 /nfs/dbraw/zinc/33/17/44/999331744.db2.gz RWVFFHPERWVCNN-QGZVFWFLSA-N 1 0 405.271 3.884 20 30 HHEDRO N#CC1(NC(=O)c2cc(F)cc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479278001 999361062 /nfs/dbraw/zinc/36/10/62/999361062.db2.gz HVBVBSMGDZBGPT-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479288682 999366878 /nfs/dbraw/zinc/36/68/78/999366878.db2.gz XRELYNUKAAWHOU-XMSQKQJNSA-N 1 0 416.525 3.569 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000488305533 999431982 /nfs/dbraw/zinc/43/19/82/999431982.db2.gz FEEKTBHFCZQTOE-IAGOWNOFSA-N 1 0 402.564 3.655 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000479514456 999453939 /nfs/dbraw/zinc/45/39/39/999453939.db2.gz ORDKENWMIUSEMA-OAQYLSRUSA-N 1 0 408.571 3.747 20 30 HHEDRO COc1ccc(C2CCC([NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000488481237 999502218 /nfs/dbraw/zinc/50/22/18/999502218.db2.gz SROUEYNWMUWOAO-LLAFXHEGSA-N 1 0 403.526 3.984 20 30 HHEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488497055 999507672 /nfs/dbraw/zinc/50/76/72/999507672.db2.gz KONGARNDHPQHRT-QRWLVFNGSA-N 1 0 412.331 3.642 20 30 HHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488497504 999508066 /nfs/dbraw/zinc/50/80/66/999508066.db2.gz MCHUEGCPQXJRHA-QRWLVFNGSA-N 1 0 401.432 3.899 20 30 HHEDRO CCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000479684525 999535809 /nfs/dbraw/zinc/53/58/09/999535809.db2.gz AWDUXZZBNBGYPU-ZEQRLZLVSA-N 1 0 407.558 3.675 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)CC1 ZINC000488791100 999608782 /nfs/dbraw/zinc/60/87/82/999608782.db2.gz DKAOFFDWWNOPFS-MRXNPFEDSA-N 1 0 408.949 3.740 20 30 HHEDRO CCOc1cc2[nH+]ccc(N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2cc1OCC ZINC000489012502 999671761 /nfs/dbraw/zinc/67/17/61/999671761.db2.gz NANDVPHVSTXHIS-QGZVFWFLSA-N 1 0 404.470 3.957 20 30 HHEDRO Cc1ccc2c(ncc(C#N)c2N2CCC(OCC[NH+](C)C)CC2)c1Br ZINC000480014634 999686833 /nfs/dbraw/zinc/68/68/33/999686833.db2.gz NQEONGLIBZPWFF-UHFFFAOYSA-N 1 0 417.351 3.724 20 30 HHEDRO N#Cc1c(C#N)c2c(nc1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CCCCCC2 ZINC000480084655 999712913 /nfs/dbraw/zinc/71/29/13/999712913.db2.gz KCYHSGWFWZEIJQ-PMACEKPBSA-N 1 0 415.541 3.531 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000480149639 999731049 /nfs/dbraw/zinc/73/10/49/999731049.db2.gz OQOGZMUQLBDILQ-UZLBHIALSA-N 1 0 424.372 3.670 20 30 HHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000480370402 999782729 /nfs/dbraw/zinc/78/27/29/999782729.db2.gz XXDZRQQRFPQSEZ-UHFFFAOYSA-N 1 0 420.904 3.745 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1F ZINC000489612853 999802700 /nfs/dbraw/zinc/80/27/00/999802700.db2.gz ZYHXEWIPTNYMKO-UHFFFAOYSA-N 1 0 421.925 3.637 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OCCCC#N ZINC000480462856 999804620 /nfs/dbraw/zinc/80/46/20/999804620.db2.gz DQRWTEIVORZCDD-OAQYLSRUSA-N 1 0 407.514 3.577 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000480469840 999806557 /nfs/dbraw/zinc/80/65/57/999806557.db2.gz DPYPYHDDHLJOAK-UHFFFAOYSA-N 1 0 407.539 3.646 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C)C(C)C ZINC000480541399 999822032 /nfs/dbraw/zinc/82/20/32/999822032.db2.gz LKYBHJOTRZTMRB-ICSRJNTNSA-N 1 0 414.598 3.721 20 30 HHEDRO COc1cc(N[C@H]2CCCN(Cc3nnc(-c4cccc(C#N)c4)o3)C2)cc(OC)c1 ZINC000490046665 999884465 /nfs/dbraw/zinc/88/44/65/999884465.db2.gz UYQMQABIGHBDTJ-SFHVURJKSA-N 1 0 419.485 3.702 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000490374591 999947340 /nfs/dbraw/zinc/94/73/40/999947340.db2.gz SVMUGGIPIZQTEF-RXVVDRJESA-N 1 0 406.530 3.635 20 30 HHEDRO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797115 1000007470 /nfs/dbraw/zinc/00/74/70/1000007470.db2.gz NSLJEZJRWHOYAN-DENIHFKCSA-N 1 0 418.541 3.694 20 30 HHEDRO C[NH+]1CCC(n2ccc(NC(=O)NC3CCC(Oc4ccccc4C#N)CC3)n2)CC1 ZINC000491312147 1000064033 /nfs/dbraw/zinc/06/40/33/1000064033.db2.gz YREQJNAYIIDUJM-UHFFFAOYSA-N 1 0 422.533 3.533 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000491685702 1000092615 /nfs/dbraw/zinc/09/26/15/1000092615.db2.gz PDJNOQFQOFGFNL-UHFFFAOYSA-N 1 0 423.513 3.628 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000492757433 1000142959 /nfs/dbraw/zinc/14/29/59/1000142959.db2.gz QQCBFOZMYDLZSW-VGOFRKELSA-N 1 0 402.498 3.531 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(F)c(N2CCOCC2)cc1F)C(C)C ZINC000494058284 1000287618 /nfs/dbraw/zinc/28/76/18/1000287618.db2.gz XSTMTEBESWLLEX-OAQYLSRUSA-N 1 0 422.520 3.622 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000494076737 1000297097 /nfs/dbraw/zinc/29/70/97/1000297097.db2.gz DLUZMAGXGFTLCG-MNEFBYGVSA-N 1 0 402.564 3.580 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000494202196 1000360088 /nfs/dbraw/zinc/36/00/88/1000360088.db2.gz RZEULHNOBYPLGI-XMMPIXPASA-N 1 0 407.562 3.517 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Br)s1 ZINC000504802039 1000375947 /nfs/dbraw/zinc/37/59/47/1000375947.db2.gz QTINAZSCXHJADB-UHFFFAOYSA-N 1 0 421.364 3.656 20 30 HHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000494682096 1000602255 /nfs/dbraw/zinc/60/22/55/1000602255.db2.gz OKDAVMOLRLWYIT-GOSISDBHSA-N 1 0 400.548 3.723 20 30 HHEDRO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)[nH]n2)c(C)c1 ZINC000494841431 1000689028 /nfs/dbraw/zinc/68/90/28/1000689028.db2.gz BWDSNONOKKYBTB-UHFFFAOYSA-N 1 0 401.514 3.769 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc([S@](C)=O)cc1 ZINC000494985421 1000763547 /nfs/dbraw/zinc/76/35/47/1000763547.db2.gz JWBLGXKCLKFCIU-NDEPHWFRSA-N 1 0 415.584 3.697 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1)CCCC2 ZINC000495027472 1000787158 /nfs/dbraw/zinc/78/71/58/1000787158.db2.gz KUEVOHKWCOLGFR-GHTZIAJQSA-N 1 0 410.562 3.621 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000505540312 1000888112 /nfs/dbraw/zinc/88/81/12/1000888112.db2.gz NGSCNOLBCRNQEA-QFIPXVFZSA-N 1 0 400.542 3.540 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c1C#N ZINC000495214365 1000917542 /nfs/dbraw/zinc/91/75/42/1000917542.db2.gz VHQBICJVNSGIDG-QMHKHESXSA-N 1 0 400.567 3.903 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1C#N ZINC000495214364 1000917696 /nfs/dbraw/zinc/91/76/96/1000917696.db2.gz VHQBICJVNSGIDG-MWTRTKDXSA-N 1 0 400.567 3.903 20 30 HHEDRO C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505598371 1000927113 /nfs/dbraw/zinc/92/71/13/1000927113.db2.gz YUXZNBFVYCFGFY-GCJKJVERSA-N 1 0 401.514 3.885 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000505784985 1001022127 /nfs/dbraw/zinc/02/21/27/1001022127.db2.gz RRSOQPIIIRTFKE-UYAOXDASSA-N 1 0 404.297 3.784 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000505789200 1001024422 /nfs/dbraw/zinc/02/44/22/1001024422.db2.gz ZZLYZGCADWECMH-MHECFPHRSA-N 1 0 413.562 3.796 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000505832541 1001049912 /nfs/dbraw/zinc/04/99/12/1001049912.db2.gz PXSMIBOVTOZQDE-SFHVURJKSA-N 1 0 420.513 3.779 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000505919862 1001102062 /nfs/dbraw/zinc/10/20/62/1001102062.db2.gz VXWOUNICAIOKEX-PZJWPPBQSA-N 1 0 413.562 3.839 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000496393301 1001170545 /nfs/dbraw/zinc/17/05/45/1001170545.db2.gz HESULFNAAQYAOD-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO C[NH+](C)C1(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CCCCCC1 ZINC000506025772 1001172348 /nfs/dbraw/zinc/17/23/48/1001172348.db2.gz HJFNHYBLCBVDNS-UHFFFAOYSA-N 1 0 400.542 3.685 20 30 HHEDRO CCOC(=O)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000506123372 1001234430 /nfs/dbraw/zinc/23/44/30/1001234430.db2.gz USNFAAFHERVHJY-HNNXBMFYSA-N 1 0 417.575 3.738 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000506183759 1001265413 /nfs/dbraw/zinc/26/54/13/1001265413.db2.gz SJPFUEFNBQGPFX-DEOSSOPVSA-N 1 0 413.562 3.940 20 30 HHEDRO Cc1cc(NC(=O)C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)no1 ZINC000506279639 1001325737 /nfs/dbraw/zinc/32/57/37/1001325737.db2.gz KLDBOSWVIAXKRK-UHFFFAOYSA-N 1 0 418.501 3.611 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)C(C)C ZINC000497425159 1001357282 /nfs/dbraw/zinc/35/72/82/1001357282.db2.gz FSYJZYCIHAMOJN-FQEVSTJZSA-N 1 0 417.529 3.566 20 30 HHEDRO COC(=O)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2c1CCCCC2 ZINC000506945262 1001608564 /nfs/dbraw/zinc/60/85/64/1001608564.db2.gz HFXFMSQZWQBBBD-UHFFFAOYSA-N 1 0 406.552 3.503 20 30 HHEDRO Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083468 1001797227 /nfs/dbraw/zinc/79/72/27/1001797227.db2.gz HOLCASNBBLLIBY-RBBKRZOGSA-N 1 0 419.916 3.881 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)c(F)c1 ZINC000498373864 1001804658 /nfs/dbraw/zinc/80/46/58/1001804658.db2.gz PPWNAWRYROMPNC-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(C)C ZINC000498379256 1001809531 /nfs/dbraw/zinc/80/95/31/1001809531.db2.gz XWLDRTCVYMKBSP-PKOBYXMFSA-N 1 0 421.994 3.958 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000498381582 1001811701 /nfs/dbraw/zinc/81/17/01/1001811701.db2.gz FNJNPXLRGUQEIN-UHFFFAOYSA-N 1 0 421.932 3.660 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000498382529 1001812923 /nfs/dbraw/zinc/81/29/23/1001812923.db2.gz CZWLSUHVFXEJOG-UHFFFAOYSA-N 1 0 412.440 3.845 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000498386119 1001816382 /nfs/dbraw/zinc/81/63/82/1001816382.db2.gz RYWUHXYJILUAOS-UHFFFAOYSA-N 1 0 422.529 3.954 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2Br)CC1 ZINC000507296520 1001980320 /nfs/dbraw/zinc/98/03/20/1001980320.db2.gz WGUXSERBYJPVIS-UHFFFAOYSA-N 1 0 416.157 3.982 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000507307673 1001987541 /nfs/dbraw/zinc/98/75/41/1001987541.db2.gz YPKBVMLUPUWATB-JPYJTQIMSA-N 1 0 405.583 3.751 20 30 HHEDRO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ccccc4C#N)CC3)n2)cc1F ZINC000507319704 1001998740 /nfs/dbraw/zinc/99/87/40/1001998740.db2.gz PGBGQIIOYUBWKM-UHFFFAOYSA-N 1 0 405.477 3.811 20 30 HHEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000498600973 1002006874 /nfs/dbraw/zinc/00/68/74/1002006874.db2.gz LGVHRIYHSVDIPX-NRFANRHFSA-N 1 0 407.558 3.924 20 30 HHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000507379232 1002034979 /nfs/dbraw/zinc/03/49/79/1002034979.db2.gz HODHEJNRKUENIY-IBGZPJMESA-N 1 0 403.573 3.512 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499126762 1002511283 /nfs/dbraw/zinc/51/12/83/1002511283.db2.gz MXVPDFJCOHVHPQ-CVDCTZTESA-N 1 0 411.546 3.770 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000508151216 1002686161 /nfs/dbraw/zinc/68/61/61/1002686161.db2.gz PJRNWUUPWCLECV-SFHVURJKSA-N 1 0 419.460 3.956 20 30 HHEDRO CCC[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+]1CCOC ZINC000499444373 1002830710 /nfs/dbraw/zinc/83/07/10/1002830710.db2.gz SHOORRHIJYNVOV-QHCPKHFHSA-N 1 0 421.541 3.710 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000508363677 1002863399 /nfs/dbraw/zinc/86/33/99/1002863399.db2.gz OQUYMYWOGBGIHV-UHFFFAOYSA-N 1 0 421.545 3.633 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1 ZINC000508446370 1002933188 /nfs/dbraw/zinc/93/31/88/1002933188.db2.gz NATZHXSVMQHFAM-UHFFFAOYSA-N 1 0 403.473 3.803 20 30 HHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508467174 1002952485 /nfs/dbraw/zinc/95/24/85/1002952485.db2.gz XJIADHFYYDHMBX-OAQYLSRUSA-N 1 0 404.562 3.951 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508488195 1002971513 /nfs/dbraw/zinc/97/15/13/1002971513.db2.gz INMLBAJNTCNQCN-ZWKOTPCHSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508491091 1002973644 /nfs/dbraw/zinc/97/36/44/1002973644.db2.gz FLPWGCWGVYCCQK-JPYJTQIMSA-N 1 0 416.573 3.989 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508491088 1002973613 /nfs/dbraw/zinc/97/36/13/1002973613.db2.gz FLPWGCWGVYCCQK-FDDCHVKYSA-N 1 0 416.573 3.989 20 30 HHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508497856 1002981256 /nfs/dbraw/zinc/98/12/56/1002981256.db2.gz NURJCCQDYVHCQM-SFTDATJTSA-N 1 0 423.605 3.689 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1c(F)cccc1C#N ZINC000508550904 1003024029 /nfs/dbraw/zinc/02/40/29/1003024029.db2.gz IYWKNHYFUQWLQE-UHFFFAOYSA-N 1 0 407.411 3.849 20 30 HHEDRO Cc1nn2c(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)c(C(C)C)nc2s1 ZINC000499706363 1003055759 /nfs/dbraw/zinc/05/57/59/1003055759.db2.gz QTWRPTWJOYQYOZ-MRXNPFEDSA-N 1 0 412.538 3.992 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)N3CC[NH+](CC4CCCCC4)CC3)CC2)c(F)c1 ZINC000508704413 1003141953 /nfs/dbraw/zinc/14/19/53/1003141953.db2.gz SRLCJVUMEHRGJW-UHFFFAOYSA-N 1 0 412.553 3.638 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508722478 1003162945 /nfs/dbraw/zinc/16/29/45/1003162945.db2.gz DKFNDECFOUZLEZ-GOSISDBHSA-N 1 0 405.550 3.689 20 30 HHEDRO CCC[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000499890817 1003226002 /nfs/dbraw/zinc/22/60/02/1003226002.db2.gz AKJZHTQKBLCKGJ-MSOLQXFVSA-N 1 0 404.580 3.903 20 30 HHEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000508801997 1003229217 /nfs/dbraw/zinc/22/92/17/1003229217.db2.gz NYEWHVRSQDSRPZ-UHFFFAOYSA-N 1 0 415.607 3.830 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508802466 1003230171 /nfs/dbraw/zinc/23/01/71/1003230171.db2.gz QNROHKHWUOMGAD-HJNYFJLDSA-N 1 0 409.578 3.877 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508802465 1003230342 /nfs/dbraw/zinc/23/03/42/1003230342.db2.gz QNROHKHWUOMGAD-BVSLBCMMSA-N 1 0 409.578 3.877 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508819157 1003243586 /nfs/dbraw/zinc/24/35/86/1003243586.db2.gz XMVFKFVVJTUIPA-REWPJTCUSA-N 1 0 421.589 3.711 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCC1(C#N)CCOCC1 ZINC000499931090 1003255158 /nfs/dbraw/zinc/25/51/58/1003255158.db2.gz XIGXAOYUGJPZMQ-UHFFFAOYSA-N 1 0 403.596 3.685 20 30 HHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508850041 1003271233 /nfs/dbraw/zinc/27/12/33/1003271233.db2.gz TVJMMPMWOBRDMO-PZJWPPBQSA-N 1 0 407.562 3.517 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508853992 1003274023 /nfs/dbraw/zinc/27/40/23/1003274023.db2.gz AQXUPCGLNKWMLD-MRXNPFEDSA-N 1 0 405.493 3.901 20 30 HHEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508868424 1003288684 /nfs/dbraw/zinc/28/86/84/1003288684.db2.gz VFUABBKHMUUTRU-UHFFFAOYSA-N 1 0 413.566 3.610 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000500003289 1003326476 /nfs/dbraw/zinc/32/64/76/1003326476.db2.gz VBNJDYKZKPJBGH-GOSISDBHSA-N 1 0 420.513 3.779 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000500018933 1003345632 /nfs/dbraw/zinc/34/56/32/1003345632.db2.gz ZTWMQDWYFQSKIC-GOSISDBHSA-N 1 0 420.513 3.779 20 30 HHEDRO C=CCn1c(COc2ccccc2OCC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508930278 1003376246 /nfs/dbraw/zinc/37/62/46/1003376246.db2.gz DRBSMYGRRYNWQL-LJQANCHMSA-N 1 0 411.550 3.506 20 30 HHEDRO C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508937747 1003386149 /nfs/dbraw/zinc/38/61/49/1003386149.db2.gz ZTQUEYCFIXEIEE-LJQANCHMSA-N 1 0 411.550 3.506 20 30 HHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508995254 1003466581 /nfs/dbraw/zinc/46/65/81/1003466581.db2.gz BMONZNGSTVTICM-UGKGYDQZSA-N 1 0 407.562 3.539 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000509013859 1003485895 /nfs/dbraw/zinc/48/58/95/1003485895.db2.gz VGDKTGOFKJWJRT-NRFANRHFSA-N 1 0 409.578 3.570 20 30 HHEDRO N#Cc1cccc(F)c1CC(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000509062491 1003524777 /nfs/dbraw/zinc/52/47/77/1003524777.db2.gz GYXDKRODSLWQBC-UHFFFAOYSA-N 1 0 408.477 3.693 20 30 HHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000500223240 1003562786 /nfs/dbraw/zinc/56/27/86/1003562786.db2.gz CBCYHWXHJSGFSF-UHFFFAOYSA-N 1 0 403.571 3.717 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000509370944 1003799673 /nfs/dbraw/zinc/79/96/73/1003799673.db2.gz HKIDQCMSCXYFDW-DEOSSOPVSA-N 1 0 420.557 3.976 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000500659605 1003872162 /nfs/dbraw/zinc/87/21/62/1003872162.db2.gz XLIREZKQJAHVSG-UHFFFAOYSA-N 1 0 419.916 3.911 20 30 HHEDRO C[NH+](C)CCOc1cccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000509602336 1003972639 /nfs/dbraw/zinc/97/26/39/1003972639.db2.gz QJEPXUVKNXUXCY-UHFFFAOYSA-N 1 0 408.502 3.574 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000500834909 1003990933 /nfs/dbraw/zinc/99/09/33/1003990933.db2.gz FUDXDIAPWIJAMY-UHFFFAOYSA-N 1 0 413.562 3.840 20 30 HHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000500889916 1004030998 /nfs/dbraw/zinc/03/09/98/1004030998.db2.gz MHFMYPJSGRXFNK-UHFFFAOYSA-N 1 0 413.566 3.551 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512148743 1004058661 /nfs/dbraw/zinc/05/86/61/1004058661.db2.gz OWHAGWKVODMQLJ-HRAATJIYSA-N 1 0 423.536 3.602 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512163501 1004068988 /nfs/dbraw/zinc/06/89/88/1004068988.db2.gz GLOXLUHKKZHZRA-HXUWFJFHSA-N 1 0 419.422 3.770 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512171390 1004075249 /nfs/dbraw/zinc/07/52/49/1004075249.db2.gz XICQVLZUMPIVLW-PXNSSMCTSA-N 1 0 423.561 3.505 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)NCCOc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509787633 1004097127 /nfs/dbraw/zinc/09/71/27/1004097127.db2.gz HTJYUZMECJUWTD-DENIHFKCSA-N 1 0 406.530 3.537 20 30 HHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000509827620 1004127827 /nfs/dbraw/zinc/12/78/27/1004127827.db2.gz VSXVXMFYUMAIGZ-SFHVURJKSA-N 1 0 416.591 3.601 20 30 HHEDRO CCOC(=O)CCCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501056702 1004159709 /nfs/dbraw/zinc/15/97/09/1004159709.db2.gz ZLXGRJVHJAZGMB-LJQANCHMSA-N 1 0 422.367 3.755 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501065958 1004168537 /nfs/dbraw/zinc/16/85/37/1004168537.db2.gz BLGHQTPLBBEIDV-VQTJNVASSA-N 1 0 405.384 3.506 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000512275156 1004175952 /nfs/dbraw/zinc/17/59/52/1004175952.db2.gz DIMIQRMNDZDSDK-RUZDIDTESA-N 1 0 402.542 3.531 20 30 HHEDRO N#Cc1ccc(NC(=O)CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1Cl ZINC000512294370 1004197975 /nfs/dbraw/zinc/19/79/75/1004197975.db2.gz PROVUUZYJVXCBH-HSZRJFAPSA-N 1 0 408.933 3.748 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC000512301674 1004203403 /nfs/dbraw/zinc/20/34/03/1004203403.db2.gz VDHDYLBXWURETB-HSZRJFAPSA-N 1 0 412.553 3.729 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)ccc1OC ZINC000509957768 1004230890 /nfs/dbraw/zinc/23/08/90/1004230890.db2.gz LHTOSPZJYGDBSS-JOCHJYFZSA-N 1 0 408.542 3.973 20 30 HHEDRO COC(=O)c1ccc(N2CC[N@H+](Cc3cccc(OCCCC#N)c3)[C@H](C)C2)cc1 ZINC000512395435 1004268090 /nfs/dbraw/zinc/26/80/90/1004268090.db2.gz VMUIMRYLPXHZPE-LJQANCHMSA-N 1 0 407.514 3.866 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000501227191 1004295909 /nfs/dbraw/zinc/29/59/09/1004295909.db2.gz XODVRRCJEZQXRP-MRXNPFEDSA-N 1 0 401.917 3.505 20 30 HHEDRO CCOC(=O)C(C)(C)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000510079722 1004309160 /nfs/dbraw/zinc/30/91/60/1004309160.db2.gz PRMXNTFWSVCUPK-UHFFFAOYSA-N 1 0 405.926 3.842 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512459967 1004319064 /nfs/dbraw/zinc/31/90/64/1004319064.db2.gz MQKGXKULLRXVIQ-DZGCQCFKSA-N 1 0 415.481 3.508 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000510143287 1004354764 /nfs/dbraw/zinc/35/47/64/1004354764.db2.gz GQSKCLCOIQYCMI-HSZRJFAPSA-N 1 0 423.536 3.612 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1)CCCC2 ZINC000512562345 1004387122 /nfs/dbraw/zinc/38/71/22/1004387122.db2.gz UFWBGZLVTLKWDU-GOSISDBHSA-N 1 0 415.481 3.606 20 30 HHEDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000501544877 1004504247 /nfs/dbraw/zinc/50/42/47/1004504247.db2.gz GESVWBFFNRRDAC-AEFFLSMTSA-N 1 0 414.600 3.530 20 30 HHEDRO CC1CCN(C(=O)C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)CC1 ZINC000510425147 1004558147 /nfs/dbraw/zinc/55/81/47/1004558147.db2.gz BECJAOVALAHGNA-UHFFFAOYSA-N 1 0 419.573 3.934 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510444761 1004571400 /nfs/dbraw/zinc/57/14/00/1004571400.db2.gz OVHVGSCGHHLXGV-ICSRJNTNSA-N 1 0 417.513 3.627 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)c(F)c1 ZINC000512822746 1004581507 /nfs/dbraw/zinc/58/15/07/1004581507.db2.gz HYZXTKDSMGKYQL-UHFFFAOYSA-N 1 0 415.896 3.900 20 30 HHEDRO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512824458 1004582931 /nfs/dbraw/zinc/58/29/31/1004582931.db2.gz SKKMALRDCRURMG-UHFFFAOYSA-N 1 0 409.461 3.772 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512831373 1004589456 /nfs/dbraw/zinc/58/94/56/1004589456.db2.gz CILBWHUDAJJLDM-RDPSFJRHSA-N 1 0 424.516 3.996 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512831374 1004589524 /nfs/dbraw/zinc/58/95/24/1004589524.db2.gz CILBWHUDAJJLDM-YKSBVNFPSA-N 1 0 424.516 3.996 20 30 HHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000510546494 1004680364 /nfs/dbraw/zinc/68/03/64/1004680364.db2.gz CDGIQIOVOXRBPX-UHFFFAOYSA-N 1 0 423.536 3.569 20 30 HHEDRO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512916507 1004687718 /nfs/dbraw/zinc/68/77/18/1004687718.db2.gz JCEFLNVLUBYJPH-QGZVFWFLSA-N 1 0 405.395 3.649 20 30 HHEDRO CNC(=O)COc1cccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000513096897 1004803947 /nfs/dbraw/zinc/80/39/47/1004803947.db2.gz XIDDSCDXTLMGJY-UHFFFAOYSA-N 1 0 415.493 3.552 20 30 HHEDRO COC(=O)C[C@@](C)([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Br)cc1 ZINC000513127943 1004821761 /nfs/dbraw/zinc/82/17/61/1004821761.db2.gz MUPSICTUVSUIMN-LJQANCHMSA-N 1 0 423.351 3.918 20 30 HHEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000513241054 1004876491 /nfs/dbraw/zinc/87/64/91/1004876491.db2.gz GLGVQNSIJBEWKD-NRSPTQNISA-N 1 0 408.571 3.540 20 30 HHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N1CCCCCC1 ZINC000513262097 1004884653 /nfs/dbraw/zinc/88/46/53/1004884653.db2.gz QTMDMQXWNNMEAQ-UHFFFAOYSA-N 1 0 404.942 3.653 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502151258 1004925428 /nfs/dbraw/zinc/92/54/28/1004925428.db2.gz ASGJZEVORYNJRR-QGZVFWFLSA-N 1 0 422.504 3.567 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000513389757 1004938852 /nfs/dbraw/zinc/93/88/52/1004938852.db2.gz WSSDQSBQGKDDBS-NHCUHLMSSA-N 1 0 416.569 3.856 20 30 HHEDRO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000502191913 1004949214 /nfs/dbraw/zinc/94/92/14/1004949214.db2.gz AKBMCHRJLGWHNQ-INIZCTEOSA-N 1 0 424.932 3.740 20 30 HHEDRO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502199725 1004954077 /nfs/dbraw/zinc/95/40/77/1004954077.db2.gz WRIJZHBFIWQHCQ-RTBURBONSA-N 1 0 418.541 3.517 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000513421185 1004957852 /nfs/dbraw/zinc/95/78/52/1004957852.db2.gz UFWPFDXEZDVEAI-NRFANRHFSA-N 1 0 424.614 3.860 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[NH+](C)C)cc1 ZINC000511010744 1004978770 /nfs/dbraw/zinc/97/87/70/1004978770.db2.gz BRVQZUOSJNAZRQ-HRTMPFAESA-N 1 0 421.545 3.554 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000511021342 1004983877 /nfs/dbraw/zinc/98/38/77/1004983877.db2.gz ASHCGPZZEBAWNV-UHFFFAOYSA-N 1 0 424.520 3.637 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2=O)cc1 ZINC000511052895 1004998456 /nfs/dbraw/zinc/99/84/56/1004998456.db2.gz ZQUCHNMZLLXQBN-PMACEKPBSA-N 1 0 410.315 3.699 20 30 HHEDRO COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000502414073 1005065925 /nfs/dbraw/zinc/06/59/25/1005065925.db2.gz IUYZNXIZKYKFFI-DYESRHJHSA-N 1 0 407.514 3.600 20 30 HHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000502428259 1005072608 /nfs/dbraw/zinc/07/26/08/1005072608.db2.gz YVWOSPMFCBOUKZ-UHFFFAOYSA-N 1 0 415.444 3.864 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c(C)c1C ZINC000511252053 1005092043 /nfs/dbraw/zinc/09/20/43/1005092043.db2.gz KKZUIEYVJUXXAN-QZTJIDSGSA-N 1 0 400.592 3.740 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)cc1 ZINC000513713742 1005093353 /nfs/dbraw/zinc/09/33/53/1005093353.db2.gz SMAGZBIXPHUOFX-UHFFFAOYSA-N 1 0 402.454 3.720 20 30 HHEDRO CC[C@@H]1C[C@@]1([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(C)c1 ZINC000502559713 1005118593 /nfs/dbraw/zinc/11/85/93/1005118593.db2.gz NSGLVENHBWHVAU-ZYKOEDHHSA-N 1 0 422.598 3.680 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(OC)cc2OC)CC2CCC2)CC1 ZINC000511435150 1005174785 /nfs/dbraw/zinc/17/47/85/1005174785.db2.gz AOGREZBFIDTKEC-UHFFFAOYSA-N 1 0 401.551 3.666 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000502679918 1005177535 /nfs/dbraw/zinc/17/75/35/1005177535.db2.gz OGKWXOPHASXIJW-DEOSSOPVSA-N 1 0 411.546 3.914 20 30 HHEDRO COc1ccc(C[C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000511478936 1005194215 /nfs/dbraw/zinc/19/42/15/1005194215.db2.gz CCIQXJCFYGOHJG-LJQANCHMSA-N 1 0 421.541 3.557 20 30 HHEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1C1CCCCC1 ZINC000511484726 1005196483 /nfs/dbraw/zinc/19/64/83/1005196483.db2.gz SPJAXCNEFQQXNW-UHFFFAOYSA-N 1 0 405.546 3.985 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 ZINC000511597885 1005239747 /nfs/dbraw/zinc/23/97/47/1005239747.db2.gz WGEFHYVPMMCNMK-IBGZPJMESA-N 1 0 424.444 3.971 20 30 HHEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000514103275 1005266403 /nfs/dbraw/zinc/26/64/03/1005266403.db2.gz BAJDGGKLDMBIJO-GOSISDBHSA-N 1 0 418.541 3.535 20 30 HHEDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1-c1cccc(C#N)c1 ZINC000502927551 1005278326 /nfs/dbraw/zinc/27/83/26/1005278326.db2.gz CPJCTZMGFVBWTJ-IBGZPJMESA-N 1 0 419.554 3.756 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000511704079 1005284608 /nfs/dbraw/zinc/28/46/08/1005284608.db2.gz WTYNZCSGDBKHJD-QHCPKHFHSA-N 1 0 413.525 3.774 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000514179985 1005300523 /nfs/dbraw/zinc/30/05/23/1005300523.db2.gz UPRDPACOVGWOPV-QFIPXVFZSA-N 1 0 422.573 3.967 20 30 HHEDRO N#Cc1cccc(F)c1CC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000511741118 1005301485 /nfs/dbraw/zinc/30/14/85/1005301485.db2.gz VYKPCUNGOLOVEM-UHFFFAOYSA-N 1 0 408.477 3.693 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 ZINC000511756968 1005309675 /nfs/dbraw/zinc/30/96/75/1005309675.db2.gz CZOGMTUAHRMITP-DEOSSOPVSA-N 1 0 404.558 3.769 20 30 HHEDRO C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000514223666 1005320402 /nfs/dbraw/zinc/32/04/02/1005320402.db2.gz RUAMAPJCBOYONO-UHFFFAOYSA-N 1 0 423.513 3.791 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)C2=O)cc1 ZINC000511776440 1005321020 /nfs/dbraw/zinc/32/10/20/1005321020.db2.gz KIJZNSLTZCOMDJ-LWSSLDFYSA-N 1 0 401.510 3.558 20 30 HHEDRO CCCc1noc2nc(CC)cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c12 ZINC000503183384 1005363954 /nfs/dbraw/zinc/36/39/54/1005363954.db2.gz VAZSQARRQPOOBD-UHFFFAOYSA-N 1 0 419.529 3.813 20 30 HHEDRO Cc1cc(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000503343243 1005394389 /nfs/dbraw/zinc/39/43/89/1005394389.db2.gz VVZAIVSAGJJNDX-SFHVURJKSA-N 1 0 401.514 3.693 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1Br ZINC000503351415 1005395725 /nfs/dbraw/zinc/39/57/25/1005395725.db2.gz YHMMVVSOAWKZSZ-UHFFFAOYSA-N 1 0 401.308 3.916 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)CCC2 ZINC000503379199 1005402800 /nfs/dbraw/zinc/40/28/00/1005402800.db2.gz RWOQYWSUNDQYLW-INIZCTEOSA-N 1 0 423.586 3.849 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1Cl ZINC000503427238 1005417272 /nfs/dbraw/zinc/41/72/72/1005417272.db2.gz CSABZJMQGBLUIK-QGZVFWFLSA-N 1 0 411.937 3.953 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c(Cl)c1 ZINC000503474594 1005431496 /nfs/dbraw/zinc/43/14/96/1005431496.db2.gz CXUJRMNNHFAHTQ-UHFFFAOYSA-N 1 0 403.935 3.676 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503475961 1005431986 /nfs/dbraw/zinc/43/19/86/1005431986.db2.gz HKCHMVVROYRRDI-UHFFFAOYSA-N 1 0 417.962 3.744 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000504040530 1005538893 /nfs/dbraw/zinc/53/88/93/1005538893.db2.gz YJIVNMCYKGRYPG-UHFFFAOYSA-N 1 0 409.505 3.664 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000504449194 1005632130 /nfs/dbraw/zinc/63/21/30/1005632130.db2.gz QBBLZHNHEABACM-UHFFFAOYSA-N 1 0 421.541 3.511 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCn3cccc3[C@H]2C)c1C#N ZINC000514523067 1006018851 /nfs/dbraw/zinc/01/88/51/1006018851.db2.gz UIVNXHHCMHAIKC-GOSISDBHSA-N 1 0 405.502 3.825 20 30 HHEDRO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534097302 1006069637 /nfs/dbraw/zinc/06/96/37/1006069637.db2.gz VGFCBXXICNOROC-JTQLQIEISA-N 1 0 420.304 3.846 20 30 HHEDRO C[C@H]1C[C@@H](N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@@H+]1C ZINC000514805874 1006136474 /nfs/dbraw/zinc/13/64/74/1006136474.db2.gz LANHVHDNUXQMDV-LPHOPBHVSA-N 1 0 402.970 3.759 20 30 HHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000514817712 1006149126 /nfs/dbraw/zinc/14/91/26/1006149126.db2.gz AVMPYNVHSUSQGT-QHCPKHFHSA-N 1 0 415.541 3.853 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000531449961 1006204512 /nfs/dbraw/zinc/20/45/12/1006204512.db2.gz WPRWWQAVFJOMLD-FXKZBUDASA-N 1 0 407.514 3.873 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(Br)cc(C)c3o2)c1C#N ZINC000534331782 1006304049 /nfs/dbraw/zinc/30/40/49/1006304049.db2.gz SIOQHVFONAVGPS-UHFFFAOYSA-N 1 0 416.279 3.503 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1)c1cccs1 ZINC000515264437 1006369303 /nfs/dbraw/zinc/36/93/03/1006369303.db2.gz WSTNCEVCQBCTJB-OAQYLSRUSA-N 1 0 417.534 3.506 20 30 HHEDRO Cc1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000515511320 1006506892 /nfs/dbraw/zinc/50/68/92/1006506892.db2.gz BKGSWQBIGMLYMJ-LJQANCHMSA-N 1 0 422.447 3.988 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000515615878 1006561523 /nfs/dbraw/zinc/56/15/23/1006561523.db2.gz ZADNZBGCLPJHMA-OAQYLSRUSA-N 1 0 408.594 3.932 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(C#N)c(C)c1C ZINC000515717337 1006614873 /nfs/dbraw/zinc/61/48/73/1006614873.db2.gz BTMROISBAKYISU-SFHVURJKSA-N 1 0 414.600 3.985 20 30 HHEDRO COc1cc(CN2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000538375421 1006646375 /nfs/dbraw/zinc/64/63/75/1006646375.db2.gz HRYNUTWCFZCHMG-REWPJTCUSA-N 1 0 411.571 3.623 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(C#N)c(C)c1C ZINC000515774621 1006661883 /nfs/dbraw/zinc/66/18/83/1006661883.db2.gz AGPKVIXNIOUTSE-NRFANRHFSA-N 1 0 408.571 3.924 20 30 HHEDRO COc1ccc([C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2nccn2C)cc1 ZINC000538398764 1006666065 /nfs/dbraw/zinc/66/60/65/1006666065.db2.gz TVUVEGFLOBMWOJ-DEOSSOPVSA-N 1 0 415.541 3.644 20 30 HHEDRO COc1cc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000538397383 1006666096 /nfs/dbraw/zinc/66/60/96/1006666096.db2.gz BGODVRZPKXTJDB-KRWDZBQOSA-N 1 0 409.530 3.899 20 30 HHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000515830973 1006706034 /nfs/dbraw/zinc/70/60/34/1006706034.db2.gz DLIUGGZJTNKHFU-FQEVSTJZSA-N 1 0 403.448 3.529 20 30 HHEDRO CC(C)Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C(F)F ZINC000534735795 1006725724 /nfs/dbraw/zinc/72/57/24/1006725724.db2.gz MAQNQNNHZFCODP-UHFFFAOYSA-N 1 0 403.477 3.552 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c(-c2ccccc2)n1 ZINC000532321746 1006792507 /nfs/dbraw/zinc/79/25/07/1006792507.db2.gz NJZKRYLGFFOEKZ-LJQANCHMSA-N 1 0 406.921 3.881 20 30 HHEDRO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000516070651 1006864275 /nfs/dbraw/zinc/86/42/75/1006864275.db2.gz XUSGQSSQNOGQML-UHFFFAOYSA-N 1 0 421.545 3.601 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(O)(C(F)(F)F)CC2)sc2c1CCCCC2 ZINC000534864677 1006890557 /nfs/dbraw/zinc/89/05/57/1006890557.db2.gz DHTSCDAWTFLXEW-UHFFFAOYSA-N 1 0 415.481 3.606 20 30 HHEDRO CCC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(C#N)cc1 ZINC000532478380 1006917496 /nfs/dbraw/zinc/91/74/96/1006917496.db2.gz 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JEMDZIBASAFCNJ-UHFFFAOYSA-N 1 0 417.600 3.637 20 30 HHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000540202025 1008334116 /nfs/dbraw/zinc/33/41/16/1008334116.db2.gz XEPGZMUCVDWHOI-UHFFFAOYSA-N 1 0 403.526 3.877 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2Oc2cccc(C)c2C)CC1 ZINC000518517220 1008334892 /nfs/dbraw/zinc/33/48/92/1008334892.db2.gz LPFGVTWUUJLHJX-UHFFFAOYSA-N 1 0 422.529 3.586 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2)c1C#N ZINC000540330252 1008383185 /nfs/dbraw/zinc/38/31/85/1008383185.db2.gz GMOXGBSYBXRCDA-QFIPXVFZSA-N 1 0 420.488 3.757 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000540354733 1008396160 /nfs/dbraw/zinc/39/61/60/1008396160.db2.gz TUUGZDODWPWQEZ-SFHVURJKSA-N 1 0 421.522 3.657 20 30 HHEDRO O=C(C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540389581 1008412863 /nfs/dbraw/zinc/41/28/63/1008412863.db2.gz PBXOVXOHPMDTEM-SIKLNZKXSA-N 1 0 416.443 3.541 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)[NH+](C)C)cc1 ZINC000518754095 1008414828 /nfs/dbraw/zinc/41/48/28/1008414828.db2.gz COLVWRHKLZTQDA-XLIONFOSSA-N 1 0 424.570 3.747 20 30 HHEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540413860 1008422913 /nfs/dbraw/zinc/42/29/13/1008422913.db2.gz ISUPBMRQPPNKIP-KVSKMBFKSA-N 1 0 413.484 3.572 20 30 HHEDRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c(C)c1 ZINC000540511947 1008462338 /nfs/dbraw/zinc/46/23/38/1008462338.db2.gz FCSZCYIFLULFOY-FPOVZHCZSA-N 1 0 410.587 3.767 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)c1ccccc1 ZINC000540524378 1008466728 /nfs/dbraw/zinc/46/67/28/1008466728.db2.gz FRYMKSFVHQWGKH-IFMALSPDSA-N 1 0 424.614 3.803 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000518935402 1008479167 /nfs/dbraw/zinc/47/91/67/1008479167.db2.gz DZKJRIVKYZFKTD-FQEVSTJZSA-N 1 0 412.578 3.730 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519020732 1008503122 /nfs/dbraw/zinc/50/31/22/1008503122.db2.gz RHOYHZWTHHTKEN-PMOQBDJRSA-N 1 0 405.542 3.589 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000542963214 1008535232 /nfs/dbraw/zinc/53/52/32/1008535232.db2.gz WRMCIYBFLXHEHW-LSDHHAIUSA-N 1 0 400.914 3.639 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc([S@](C)=O)cc1 ZINC000542980320 1008556716 /nfs/dbraw/zinc/55/67/16/1008556716.db2.gz HGJOYQMZDSTUAS-FYCBBRDGSA-N 1 0 401.507 3.549 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000549072117 1008637551 /nfs/dbraw/zinc/63/75/51/1008637551.db2.gz VCIAMDGDDJKSRF-GOSISDBHSA-N 1 0 416.529 3.728 20 30 HHEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000543075632 1008652937 /nfs/dbraw/zinc/65/29/37/1008652937.db2.gz HQPXAAWXILFWHS-FVWXCPNNSA-N 1 0 423.473 3.558 20 30 HHEDRO COc1cc(-c2noc(-c3ccc(C4(C#N)CC4)cc3)n2)ccc1OCC[NH+](C)C ZINC000545568606 1008667498 /nfs/dbraw/zinc/66/74/98/1008667498.db2.gz BFWBSBGQRURIKW-UHFFFAOYSA-N 1 0 404.470 3.908 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CCOc2ccc(Cl)cc2Br)CC1 ZINC000519274561 1008684899 /nfs/dbraw/zinc/68/48/99/1008684899.db2.gz AYZVOLFKXSMBQV-UHFFFAOYSA-N 1 0 401.732 3.638 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000519283385 1008694420 /nfs/dbraw/zinc/69/44/20/1008694420.db2.gz CXUOYMZXHRAYLV-UHFFFAOYSA-N 1 0 418.541 3.992 20 30 HHEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549213643 1008784299 /nfs/dbraw/zinc/78/42/99/1008784299.db2.gz LVLOGFTUQHGPDL-SFTDATJTSA-N 1 0 419.614 3.671 20 30 HHEDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000543247801 1008816502 /nfs/dbraw/zinc/81/65/02/1008816502.db2.gz JMEONHDFUQHKNU-MSOLQXFVSA-N 1 0 412.578 3.724 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549251180 1008821211 /nfs/dbraw/zinc/82/12/11/1008821211.db2.gz OWHKWVGGPZNTDX-SFHVURJKSA-N 1 0 413.566 3.707 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000549252100 1008822302 /nfs/dbraw/zinc/82/23/02/1008822302.db2.gz KROXXKMBAJODAW-UHFFFAOYSA-N 1 0 415.969 3.723 20 30 HHEDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCCCC1 ZINC000543286308 1008861594 /nfs/dbraw/zinc/86/15/94/1008861594.db2.gz OLSXLQBVPPZLAR-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549291456 1008864195 /nfs/dbraw/zinc/86/41/95/1008864195.db2.gz ITGHCZYFYRZWOM-PCCBWWKXSA-N 1 0 401.599 3.900 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+](C)C)cc1OC ZINC000543307322 1008885731 /nfs/dbraw/zinc/88/57/31/1008885731.db2.gz VLBXCUOSGBPOCY-OAQYLSRUSA-N 1 0 422.529 3.552 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000519567196 1008910442 /nfs/dbraw/zinc/91/04/42/1008910442.db2.gz HNKYBSVFRJYCQT-QAPCUYQASA-N 1 0 403.958 3.960 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000543351648 1008938278 /nfs/dbraw/zinc/93/82/78/1008938278.db2.gz MQNWRDNYDRREDF-UHFFFAOYSA-N 1 0 408.502 3.501 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1 ZINC000549594666 1009221729 /nfs/dbraw/zinc/22/17/29/1009221729.db2.gz IFHARDSXUKRDKN-IRLDBZIGSA-N 1 0 422.577 3.554 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000549601026 1009229586 /nfs/dbraw/zinc/22/95/86/1009229586.db2.gz CIPMKPNNTSBFTG-HSZRJFAPSA-N 1 0 423.605 3.945 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000549646765 1009273648 /nfs/dbraw/zinc/27/36/48/1009273648.db2.gz PAGNVTDTEFWFJD-UHFFFAOYSA-N 1 0 402.546 3.855 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549734457 1009358002 /nfs/dbraw/zinc/35/80/02/1009358002.db2.gz BLVVFXABLRECDK-WOJBJXKFSA-N 1 0 424.593 3.550 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000549770576 1009384776 /nfs/dbraw/zinc/38/47/76/1009384776.db2.gz OMAJSNYNYSNINO-FDDCHVKYSA-N 1 0 406.505 3.572 20 30 HHEDRO Cc1c2c(nc(SCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c1C#N)CCC2 ZINC000520329661 1009462016 /nfs/dbraw/zinc/46/20/16/1009462016.db2.gz HKIVNQSQJSMEHH-UHFFFAOYSA-N 1 0 420.582 3.755 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)n2)c(Cl)c1 ZINC000543887354 1009464082 /nfs/dbraw/zinc/46/40/82/1009464082.db2.gz OUPZYICLIFOWFS-GOSISDBHSA-N 1 0 424.892 3.949 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543889845 1009468232 /nfs/dbraw/zinc/46/82/32/1009468232.db2.gz FXBWKCFSOLXPLK-UHFFFAOYSA-N 1 0 400.914 3.641 20 30 HHEDRO Cc1nc(SCC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)c(C)c1C ZINC000520354741 1009491381 /nfs/dbraw/zinc/49/13/81/1009491381.db2.gz YQECAWSLADSOKQ-IYBDPMFKSA-N 1 0 402.608 3.845 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000520437319 1009552253 /nfs/dbraw/zinc/55/22/53/1009552253.db2.gz RNNXYOFSYGTSJX-NFBKMPQASA-N 1 0 417.557 3.615 20 30 HHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520461606 1009570909 /nfs/dbraw/zinc/57/09/09/1009570909.db2.gz MRAOYFFRAIGJBY-NRFANRHFSA-N 1 0 418.501 3.750 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCOC[C@H]2OCC)cc1OCC ZINC000546766458 1009734851 /nfs/dbraw/zinc/73/48/51/1009734851.db2.gz RMOGSVDVRFOUGG-FUHWJXTLSA-N 1 0 414.340 3.696 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544142914 1009751828 /nfs/dbraw/zinc/75/18/28/1009751828.db2.gz DLYVQMDLJNWLKT-GOSISDBHSA-N 1 0 419.447 3.529 20 30 HHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCCC1)C1CCCCC1 ZINC000546799370 1009764411 /nfs/dbraw/zinc/76/44/11/1009764411.db2.gz OQUIBKBADLUUMA-UHFFFAOYSA-N 1 0 403.592 3.954 20 30 HHEDRO Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c1 ZINC000544188969 1009791322 /nfs/dbraw/zinc/79/13/22/1009791322.db2.gz JVZCYCLDHIWBGW-RBBKRZOGSA-N 1 0 422.598 3.563 20 30 HHEDRO CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546913555 1009871767 /nfs/dbraw/zinc/87/17/67/1009871767.db2.gz YSIUXSKMFKPMCO-JOCHJYFZSA-N 1 0 418.541 3.790 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544309991 1009933330 /nfs/dbraw/zinc/93/33/30/1009933330.db2.gz RIIKKWIYBGQIMX-NQIIRXRSSA-N 1 0 422.529 3.616 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000544335996 1009960199 /nfs/dbraw/zinc/96/01/99/1009960199.db2.gz LGDXOSJQVKOSNL-LJQANCHMSA-N 1 0 411.477 3.573 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)CC1 ZINC000520926853 1009981686 /nfs/dbraw/zinc/98/16/86/1009981686.db2.gz BDORMYBUJPNTHU-UHFFFAOYSA-N 1 0 418.541 3.992 20 30 HHEDRO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000520964950 1010009436 /nfs/dbraw/zinc/00/94/36/1010009436.db2.gz JQKZWOVXGGSXPD-UHFFFAOYSA-N 1 0 420.534 3.972 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000550554315 1010022443 /nfs/dbraw/zinc/02/24/43/1010022443.db2.gz POQLLFUQUVOECP-QHCPKHFHSA-N 1 0 423.532 3.730 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)NC2CCCCC2)CC1)C(C)C ZINC000521067499 1010085967 /nfs/dbraw/zinc/08/59/67/1010085967.db2.gz XAPJVVWDPQMDAD-JOCHJYFZSA-N 1 0 418.626 3.556 20 30 HHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nnc2ccccn21 ZINC000544482790 1010105971 /nfs/dbraw/zinc/10/59/71/1010105971.db2.gz MSURUIAUXQSGAP-CQSZACIVSA-N 1 0 408.531 3.611 20 30 HHEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1C#N ZINC000550787998 1010176882 /nfs/dbraw/zinc/17/68/82/1010176882.db2.gz DBPWSKZVIANGGH-UHFFFAOYSA-N 1 0 404.580 3.628 20 30 HHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)CCCCC2)CCO1 ZINC000550884211 1010240416 /nfs/dbraw/zinc/24/04/16/1010240416.db2.gz BPBROOYWNZKKEM-UHFFFAOYSA-N 1 0 424.467 3.516 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C#N)cc1OC)[NH+]1CCCCC1 ZINC000547415192 1010294276 /nfs/dbraw/zinc/29/42/76/1010294276.db2.gz AIYFCRXVDCLVOI-HXUWFJFHSA-N 1 0 408.502 3.924 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000544746587 1010351031 /nfs/dbraw/zinc/35/10/31/1010351031.db2.gz RRPOWRZPFVUGSG-RTBURBONSA-N 1 0 403.592 3.668 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 ZINC000521590965 1010487723 /nfs/dbraw/zinc/48/77/23/1010487723.db2.gz ZFELRKRWBSWPQS-UHFFFAOYSA-N 1 0 413.562 3.631 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000521595801 1010492001 /nfs/dbraw/zinc/49/20/01/1010492001.db2.gz MWULIVCYAPHJLK-GOSISDBHSA-N 1 0 424.545 3.680 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1C ZINC000521689472 1010553228 /nfs/dbraw/zinc/55/32/28/1010553228.db2.gz MMTYXINWDQOKGL-OAQYLSRUSA-N 1 0 405.546 3.781 20 30 HHEDRO N#Cc1cc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1OCC(F)(F)F ZINC000521698322 1010559110 /nfs/dbraw/zinc/55/91/10/1010559110.db2.gz HYZDBJGIVRYTTO-QGZVFWFLSA-N 1 0 410.440 3.982 20 30 HHEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC(C)C)[C@@H](C)c3ccccc3C)CC2)o1 ZINC000551422040 1010577224 /nfs/dbraw/zinc/57/72/24/1010577224.db2.gz OMVTYPVCEGJGBE-IBGZPJMESA-N 1 0 423.561 3.531 20 30 HHEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)NCc4ccc(C#N)cc4)CC3)c2c1 ZINC000521814003 1010637405 /nfs/dbraw/zinc/63/74/05/1010637405.db2.gz FYVRFAPEDQFTIC-UHFFFAOYSA-N 1 0 402.498 3.544 20 30 HHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000551541183 1010648074 /nfs/dbraw/zinc/64/80/74/1010648074.db2.gz VIGRUVIBKRXSSU-NRFANRHFSA-N 1 0 419.481 3.772 20 30 HHEDRO C[C@@]1(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000548759969 1010724800 /nfs/dbraw/zinc/72/48/00/1010724800.db2.gz OZPUOHMUCFBIOH-DEOSSOPVSA-N 1 0 417.557 3.703 20 30 HHEDRO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865995 1010748022 /nfs/dbraw/zinc/74/80/22/1010748022.db2.gz YCIPDDIMPYEYFE-NRFANRHFSA-N 1 0 407.558 3.985 20 30 HHEDRO N#CC1(CS(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000545356504 1010748160 /nfs/dbraw/zinc/74/81/60/1010748160.db2.gz BYPVJAYATWAKQS-UHFFFAOYSA-N 1 0 409.983 3.555 20 30 HHEDRO C=CC1CCN(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000522063468 1010786374 /nfs/dbraw/zinc/78/63/74/1010786374.db2.gz SKMDIRAJPOXKCY-UHFFFAOYSA-N 1 0 424.511 3.825 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000522633308 1011126000 /nfs/dbraw/zinc/12/60/00/1011126000.db2.gz KXKIYKBAXHLPGZ-LJQANCHMSA-N 1 0 413.905 3.845 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522758687 1011199566 /nfs/dbraw/zinc/19/95/66/1011199566.db2.gz JGPHLCNCAKDHQB-WMZOPIPTSA-N 1 0 417.497 3.702 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3OC3CCC3)CC2)cc1 ZINC000522802632 1011234569 /nfs/dbraw/zinc/23/45/69/1011234569.db2.gz YYRXZUSLIUYTLT-UHFFFAOYSA-N 1 0 418.541 3.907 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000540596221 1011252042 /nfs/dbraw/zinc/25/20/42/1011252042.db2.gz CIMGQJVVHZAXKH-UHFFFAOYSA-N 1 0 404.436 3.649 20 30 HHEDRO Cn1ccnc1[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000540597186 1011252807 /nfs/dbraw/zinc/25/28/07/1011252807.db2.gz MQNIZAJQZWRTPV-QHCPKHFHSA-N 1 0 403.505 3.774 20 30 HHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)c2ccccc2)CC1 ZINC000536253291 1011411733 /nfs/dbraw/zinc/41/17/33/1011411733.db2.gz MZMCCMZSEJJJIL-QFIPXVFZSA-N 1 0 415.534 3.590 20 30 HHEDRO Cc1cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nn1CCC#N ZINC000540819397 1011481763 /nfs/dbraw/zinc/48/17/63/1011481763.db2.gz UKFRJBVGWRCGJM-GOSISDBHSA-N 1 0 400.914 3.717 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)c1C#N ZINC000536301160 1011489617 /nfs/dbraw/zinc/48/96/17/1011489617.db2.gz KPZVXPPAORPFBA-UHFFFAOYSA-N 1 0 408.893 3.765 20 30 HHEDRO Cc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)[nH]1 ZINC000540866086 1011542486 /nfs/dbraw/zinc/54/24/86/1011542486.db2.gz WWEJOHPACYTPNS-HNNXBMFYSA-N 1 0 412.563 3.523 20 30 HHEDRO C=CCSCCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000540959503 1011601935 /nfs/dbraw/zinc/60/19/35/1011601935.db2.gz YKBDEONASSCECA-UHFFFAOYSA-N 1 0 401.498 3.842 20 30 HHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)N3CCC(CC#N)CC3)cc2)C[C@H]1C ZINC000540991923 1011624868 /nfs/dbraw/zinc/62/48/68/1011624868.db2.gz QYQSYYBIXHYFHG-BGYRXZFFSA-N 1 0 412.578 3.531 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540993923 1011627979 /nfs/dbraw/zinc/62/79/79/1011627979.db2.gz ZSILUPOOGFRCFY-GOSISDBHSA-N 1 0 419.978 3.866 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000536442291 1011661308 /nfs/dbraw/zinc/66/13/08/1011661308.db2.gz NGSNZQUTJVRFIQ-UHFFFAOYSA-N 1 0 416.481 3.655 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536488214 1011700897 /nfs/dbraw/zinc/70/08/97/1011700897.db2.gz MDMKQSCIIGGOOS-UHFFFAOYSA-N 1 0 418.541 3.635 20 30 HHEDRO Cc1ccc(OCCCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000523220833 1011708867 /nfs/dbraw/zinc/70/88/67/1011708867.db2.gz GKOSHRPDKJVGNZ-UHFFFAOYSA-N 1 0 406.530 3.553 20 30 HHEDRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541086304 1011728866 /nfs/dbraw/zinc/72/88/66/1011728866.db2.gz CWNQVBXIPCQCTA-SFHVURJKSA-N 1 0 419.525 3.678 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000523253147 1011736655 /nfs/dbraw/zinc/73/66/55/1011736655.db2.gz RTEOIOAZODWPOC-UHFFFAOYSA-N 1 0 415.493 3.908 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[N@@H+]1Cc1ccccc1 ZINC000541098504 1011744515 /nfs/dbraw/zinc/74/45/15/1011744515.db2.gz KSCDEURZRQKHSK-VQIMIIECSA-N 1 0 418.476 3.668 20 30 HHEDRO C=C(C)[C@@H](CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)OCC ZINC000536594847 1011757925 /nfs/dbraw/zinc/75/79/25/1011757925.db2.gz BKKDLTFWIAPEPE-GOSISDBHSA-N 1 0 410.356 3.511 20 30 HHEDRO C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536665953 1011818260 /nfs/dbraw/zinc/81/82/60/1011818260.db2.gz CPNUSEDTJBONLK-RLWLMLJZSA-N 1 0 418.585 3.595 20 30 HHEDRO CCc1nc2ccccc2n1C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000536742006 1011923295 /nfs/dbraw/zinc/92/32/95/1011923295.db2.gz MBWMXTOTAKOWFA-FQEVSTJZSA-N 1 0 404.514 3.547 20 30 HHEDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000536753621 1011943067 /nfs/dbraw/zinc/94/30/67/1011943067.db2.gz HELLPNCYSGKOSV-INIZCTEOSA-N 1 0 400.914 3.592 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000552031377 1012056030 /nfs/dbraw/zinc/05/60/30/1012056030.db2.gz ZSPFCJIIWYFZER-FQEVSTJZSA-N 1 0 408.498 3.518 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000541380432 1012098521 /nfs/dbraw/zinc/09/85/21/1012098521.db2.gz LCPUKQGSIPUFPH-FYYLOGMGSA-N 1 0 410.493 3.591 20 30 HHEDRO C[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1Cl ZINC000552090145 1012105763 /nfs/dbraw/zinc/10/57/63/1012105763.db2.gz BUQIKXKZEFIXKT-DZGCQCFKSA-N 1 0 409.964 3.635 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000536905041 1012166286 /nfs/dbraw/zinc/16/62/86/1012166286.db2.gz NXKJKQGLBKAMEE-UHFFFAOYSA-N 1 0 402.130 3.592 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552199852 1012212295 /nfs/dbraw/zinc/21/22/95/1012212295.db2.gz LAZUGRSBDJGVFK-HXUWFJFHSA-N 1 0 403.526 3.840 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000523630289 1012213795 /nfs/dbraw/zinc/21/37/95/1012213795.db2.gz YESRFTGYWHKDIB-NOTZXAQLSA-N 1 0 418.541 3.920 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000523634670 1012220150 /nfs/dbraw/zinc/22/01/50/1012220150.db2.gz KAPMQBQNILRMNO-LJQANCHMSA-N 1 0 410.949 3.793 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000552211011 1012223975 /nfs/dbraw/zinc/22/39/75/1012223975.db2.gz FRLGDXMRLJGUIZ-FQEVSTJZSA-N 1 0 424.495 3.623 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OCCOC ZINC000541499740 1012279522 /nfs/dbraw/zinc/27/95/22/1012279522.db2.gz CLJHUWBCEWALGS-MOPGFXCFSA-N 1 0 402.539 3.606 20 30 HHEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(-c2ccccc2Br)s1 ZINC000552336627 1012347044 /nfs/dbraw/zinc/34/70/44/1012347044.db2.gz HEWCQICGEXRTAG-GFCCVEGCSA-N 1 0 402.321 3.992 20 30 HHEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000537074155 1012415890 /nfs/dbraw/zinc/41/58/90/1012415890.db2.gz WYNSTLAHNUXAGD-DEOSSOPVSA-N 1 0 417.484 3.896 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000537109037 1012481970 /nfs/dbraw/zinc/48/19/70/1012481970.db2.gz UNRORBZRHDRFJA-RBUKOAKNSA-N 1 0 404.514 3.799 20 30 HHEDRO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000537162180 1012562792 /nfs/dbraw/zinc/56/27/92/1012562792.db2.gz OEFMGNJXZMBHCS-RTWAWAEBSA-N 1 0 408.571 3.603 20 30 HHEDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000537173074 1012578802 /nfs/dbraw/zinc/57/88/02/1012578802.db2.gz ZWGKAQHTJJVDQB-LADGPHEKSA-N 1 0 408.521 3.521 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)cc1OC ZINC000541773860 1012639808 /nfs/dbraw/zinc/63/98/08/1012639808.db2.gz CVKWSTSEDRVPAC-UHFFFAOYSA-N 1 0 415.921 3.871 20 30 HHEDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(C)(C)C ZINC000523921547 1012646569 /nfs/dbraw/zinc/64/65/69/1012646569.db2.gz SQXIZJWHEYLLJU-INIZCTEOSA-N 1 0 400.445 3.987 20 30 HHEDRO CCC[N@H+](C)[C@H](CNC(=O)COc1ccc(C#N)cc1OC)c1ccc(Cl)cc1 ZINC000552683883 1012694324 /nfs/dbraw/zinc/69/43/24/1012694324.db2.gz KGWJGDQSMYQZDP-LJQANCHMSA-N 1 0 415.921 3.798 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000537289582 1012747205 /nfs/dbraw/zinc/74/72/05/1012747205.db2.gz IAZIPMRYDRRBEU-MOPGFXCFSA-N 1 0 416.978 3.851 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H](CO)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000537293006 1012751103 /nfs/dbraw/zinc/75/11/03/1012751103.db2.gz UEHROBPWEDQQKN-LJQANCHMSA-N 1 0 415.940 3.756 20 30 HHEDRO C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)C2)C1 ZINC000541949149 1012810364 /nfs/dbraw/zinc/81/03/64/1012810364.db2.gz NLUYWGDNBUFXFA-MPCDZSKCSA-N 1 0 424.589 3.868 20 30 HHEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552814777 1012822519 /nfs/dbraw/zinc/82/25/19/1012822519.db2.gz KWJAPFUAYKLVQW-QGZVFWFLSA-N 1 0 402.970 3.666 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000524071888 1012834607 /nfs/dbraw/zinc/83/46/07/1012834607.db2.gz MSRLZKYEGSJSFH-IRXDYDNUSA-N 1 0 402.564 3.561 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000541973585 1012839384 /nfs/dbraw/zinc/83/93/84/1012839384.db2.gz XPTMNSSZJRXTQF-XLIONFOSSA-N 1 0 424.570 3.827 20 30 HHEDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000541981064 1012852444 /nfs/dbraw/zinc/85/24/44/1012852444.db2.gz LIYLMKKEYYVTDG-QFIPXVFZSA-N 1 0 408.546 3.916 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c1C#N ZINC000541982073 1012856598 /nfs/dbraw/zinc/85/65/98/1012856598.db2.gz BCNGCIOAPVUDHE-QHCPKHFHSA-N 1 0 416.525 3.595 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCCC1)c1ccccc1 ZINC000524108928 1012883772 /nfs/dbraw/zinc/88/37/72/1012883772.db2.gz DGXWNUXHOXJSRY-INIZCTEOSA-N 1 0 424.932 3.930 20 30 HHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000552893866 1012896391 /nfs/dbraw/zinc/89/63/91/1012896391.db2.gz XAKLWJIRIVGWKS-SFHVURJKSA-N 1 0 421.520 3.668 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000552912814 1012913245 /nfs/dbraw/zinc/91/32/45/1012913245.db2.gz CZHRCUDWPPADQO-UHFFFAOYSA-N 1 0 423.557 3.529 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542024443 1012917941 /nfs/dbraw/zinc/91/79/41/1012917941.db2.gz QGWPFDOTCGYTAB-TZIWHRDSSA-N 1 0 424.511 3.579 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000542025749 1012920033 /nfs/dbraw/zinc/92/00/33/1012920033.db2.gz FIALOZMEPALPDD-DNVCBOLYSA-N 1 0 424.936 3.878 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542026075 1012921149 /nfs/dbraw/zinc/92/11/49/1012921149.db2.gz GRLLFVFJGBRBHP-OAHLLOKOSA-N 1 0 400.914 3.593 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542026216 1012921381 /nfs/dbraw/zinc/92/13/81/1012921381.db2.gz NXHAXZCLWPOGLI-MRXNPFEDSA-N 1 0 414.941 3.887 20 30 HHEDRO CC1(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552950830 1012937618 /nfs/dbraw/zinc/93/76/18/1012937618.db2.gz IQFDBCGWPVFXIN-LJQANCHMSA-N 1 0 414.981 3.951 20 30 HHEDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)nn1CCC#N ZINC000537515250 1013029474 /nfs/dbraw/zinc/02/94/74/1013029474.db2.gz DQIKJJQPRLFKMP-ROUUACIJSA-N 1 0 408.550 3.905 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000553060680 1013033709 /nfs/dbraw/zinc/03/37/09/1013033709.db2.gz JMTPXVVPHBLSNJ-QIJUGHKUSA-N 1 0 420.532 3.693 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)Nc2ccccc2)cc1 ZINC000729668628 1071787191 /nfs/dbraw/zinc/78/71/91/1071787191.db2.gz LQWLMPKKZYPYKQ-UHFFFAOYSA-O 1 0 409.487 3.967 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C(=O)OC)co1)C(=S)NCc1ccccc1 ZINC000729668638 1071787233 /nfs/dbraw/zinc/78/72/33/1071787233.db2.gz MDPFTTXHIBNVAW-UHFFFAOYSA-O 1 0 423.514 3.645 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001211975702 1071829818 /nfs/dbraw/zinc/82/98/18/1071829818.db2.gz NTNVKNXNYYJGLC-OALUTQOASA-N 1 0 401.507 3.860 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533309887 1071847824 /nfs/dbraw/zinc/84/78/24/1071847824.db2.gz XASKIJZNOXRZNE-OAQYLSRUSA-N 1 0 416.525 3.944 20 30 HHEDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001212054026 1071936490 /nfs/dbraw/zinc/93/64/90/1071936490.db2.gz VGQBGMUAVXMXHD-HNHYXYPQSA-N 1 0 422.316 3.952 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000729809519 1072125273 /nfs/dbraw/zinc/12/52/73/1072125273.db2.gz LFOJLOHYPGCZIS-KNQAVFIVSA-N 1 0 424.928 3.842 20 30 HHEDRO C#CCN1CCC[C@H]1COC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000729808927 1072125734 /nfs/dbraw/zinc/12/57/34/1072125734.db2.gz HCJSBXPSMFQFPP-SFHVURJKSA-N 1 0 416.319 3.506 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000729812245 1072127345 /nfs/dbraw/zinc/12/73/45/1072127345.db2.gz POXUWRZNNKSMEV-HXUWFJFHSA-N 1 0 410.539 3.964 20 30 HHEDRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611854726 1072156698 /nfs/dbraw/zinc/15/66/98/1072156698.db2.gz ZOPVYTSSPPVUNH-GLYQVZKVSA-N 1 0 418.541 3.527 20 30 HHEDRO C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2CCCN2c2ccc(C#N)cc2)n1 ZINC000615133296 1072182402 /nfs/dbraw/zinc/18/24/02/1072182402.db2.gz XGCDDCHQGFVRIH-FQEVSTJZSA-N 1 0 403.486 3.890 20 30 HHEDRO Cc1ncsc1-c1nc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000760417855 1072342118 /nfs/dbraw/zinc/34/21/18/1072342118.db2.gz WVYKCMMGYFWOOA-UHFFFAOYSA-N 1 0 414.447 3.561 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000586769213 1072424477 /nfs/dbraw/zinc/42/44/77/1072424477.db2.gz DKFTVUJVOJWZSF-FQEVSTJZSA-N 1 0 405.951 3.767 20 30 HHEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCCCC1)[NH+]1CCOCC1 ZINC001691579294 1072480502 /nfs/dbraw/zinc/48/05/02/1072480502.db2.gz CIEORCPJXQGVES-QFIPXVFZSA-N 1 0 422.577 3.554 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc2ccccc2c1O ZINC001625995996 1072508638 /nfs/dbraw/zinc/50/86/38/1072508638.db2.gz AYWXUVAQZXVNCR-UHFFFAOYSA-N 1 0 401.510 3.940 20 30 HHEDRO CC1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587295773 1072568686 /nfs/dbraw/zinc/56/86/86/1072568686.db2.gz NOELPXYHBPHLLY-FQEVSTJZSA-N 1 0 414.981 3.905 20 30 HHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846439 1072707051 /nfs/dbraw/zinc/70/70/51/1072707051.db2.gz HOVSSPGBEXPZNF-SIKLNZKXSA-N 1 0 420.532 3.647 20 30 HHEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](Nc1cnc(N)nc1)c1ccnc2ccc(OC)cc21 ZINC001168380496 1072708210 /nfs/dbraw/zinc/70/82/10/1072708210.db2.gz CHCUCZVGXVEEAH-GZVBHOEUSA-N 1 0 416.529 3.665 20 30 HHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000554930433 1072963725 /nfs/dbraw/zinc/96/37/25/1072963725.db2.gz ODAAZUBNNMQPCF-ZRZAMGCNSA-N 1 0 410.525 3.571 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000554975086 1073015587 /nfs/dbraw/zinc/01/55/87/1073015587.db2.gz ANQCCIBJHBMPAD-FCHUYYIVSA-N 1 0 418.541 3.588 20 30 HHEDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000588336547 1073047749 /nfs/dbraw/zinc/04/77/49/1073047749.db2.gz GPCMDYIBBQSUCJ-IBGZPJMESA-N 1 0 402.970 3.807 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000555031078 1073091497 /nfs/dbraw/zinc/09/14/97/1073091497.db2.gz XJIFCZIJTXJQKI-OXJNMPFZSA-N 1 0 410.493 3.518 20 30 HHEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000555031073 1073091642 /nfs/dbraw/zinc/09/16/42/1073091642.db2.gz XJIFCZIJTXJQKI-JXFKEZNVSA-N 1 0 410.493 3.518 20 30 HHEDRO COc1cc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)ccc1F ZINC000555130189 1073182342 /nfs/dbraw/zinc/18/23/42/1073182342.db2.gz RVGQOMZTTVJHJG-UHFFFAOYSA-N 1 0 416.884 3.510 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc3ccccc3n2CC#N)[NH+](C)C)cc1 ZINC000588780287 1073205592 /nfs/dbraw/zinc/20/55/92/1073205592.db2.gz KRMGCXRZNWZWFW-QHCPKHFHSA-N 1 0 404.514 3.985 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000555243122 1073285296 /nfs/dbraw/zinc/28/52/96/1073285296.db2.gz HMZYGQHWBWUJHG-FQEVSTJZSA-N 1 0 409.578 3.766 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000555242772 1073285616 /nfs/dbraw/zinc/28/56/16/1073285616.db2.gz YHJQUBJBXOWQIU-JTHBVZDNSA-N 1 0 423.605 3.945 20 30 HHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000555244118 1073286446 /nfs/dbraw/zinc/28/64/46/1073286446.db2.gz YAVPXLAMUOUINL-KDURUIRLSA-N 1 0 412.582 3.565 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000555264048 1073295785 /nfs/dbraw/zinc/29/57/85/1073295785.db2.gz LYIHSELBXYUEKV-OAHLLOKOSA-N 1 0 421.387 3.780 20 30 HHEDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000760711944 1073303677 /nfs/dbraw/zinc/30/36/77/1073303677.db2.gz DHAXCSQXBKIOFG-JWQCQUIFSA-N 1 0 406.574 3.806 20 30 HHEDRO COc1cc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)ccc1OCC[NH+](C)C ZINC000589093737 1073396142 /nfs/dbraw/zinc/39/61/42/1073396142.db2.gz CBKDGDNJYILNKX-GOSISDBHSA-N 1 0 406.486 3.926 20 30 HHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(Br)c1 ZINC000590192830 1073637040 /nfs/dbraw/zinc/63/70/40/1073637040.db2.gz HFEUHGQHIURLFY-CJNGLKHVSA-N 1 0 407.283 3.745 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c(-c2ccncc2)n1 ZINC000555592541 1073647853 /nfs/dbraw/zinc/64/78/53/1073647853.db2.gz YOLLIMOJQLWAON-UHFFFAOYSA-N 1 0 400.408 3.605 20 30 HHEDRO CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(C)C ZINC000555661120 1073714340 /nfs/dbraw/zinc/71/43/40/1073714340.db2.gz PPUOSKQVERQHLB-LJQANCHMSA-N 1 0 420.557 3.637 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000555687923 1073726915 /nfs/dbraw/zinc/72/69/15/1073726915.db2.gz BNUVUQTUXYAIFD-PMACEKPBSA-N 1 0 411.571 3.825 20 30 HHEDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C1 ZINC000590538123 1073914575 /nfs/dbraw/zinc/91/45/75/1073914575.db2.gz JUPCWUMMNMIFKA-QFIPXVFZSA-N 1 0 413.905 3.533 20 30 HHEDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000591415386 1074280730 /nfs/dbraw/zinc/28/07/30/1074280730.db2.gz ZRBLEXNRNJWBCN-OAQYLSRUSA-N 1 0 404.558 3.503 20 30 HHEDRO C[N@H+](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1CCCC1 ZINC000573588076 1074560945 /nfs/dbraw/zinc/56/09/45/1074560945.db2.gz VUZISANWKBJQFR-UHFFFAOYSA-N 1 0 402.970 3.809 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2CC)CC1 ZINC000592068662 1074686693 /nfs/dbraw/zinc/68/66/93/1074686693.db2.gz QGEWUIKFUSFVFT-UHFFFAOYSA-N 1 0 417.351 3.577 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 ZINC000592075600 1074687827 /nfs/dbraw/zinc/68/78/27/1074687827.db2.gz PZBHTWBKAFVTKX-UHFFFAOYSA-N 1 0 403.530 3.714 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)CC1 ZINC000592524168 1074771638 /nfs/dbraw/zinc/77/16/38/1074771638.db2.gz QEENKNGNWYZDNQ-SFHVURJKSA-N 1 0 416.324 3.866 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)CC1 ZINC000592503143 1074773508 /nfs/dbraw/zinc/77/35/08/1074773508.db2.gz QZYQFWSSGBFTGN-UHFFFAOYSA-N 1 0 410.518 3.722 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000592527877 1074781604 /nfs/dbraw/zinc/78/16/04/1074781604.db2.gz HSXQHXZKNVXIQN-UHFFFAOYSA-N 1 0 400.498 3.705 20 30 HHEDRO COc1cc(C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)ccc1O ZINC000760997006 1075107461 /nfs/dbraw/zinc/10/74/61/1075107461.db2.gz FQIUBJJWTKBTHC-SFHVURJKSA-N 1 0 414.465 3.602 20 30 HHEDRO Cn1cc(-c2ccc3c(c2)N(C(=O)C2C[NH+](CC(C)(C)CCC#N)C2)CC3(C)C)cn1 ZINC000595282966 1075425653 /nfs/dbraw/zinc/42/56/53/1075425653.db2.gz MORBDNMEDZJQML-UHFFFAOYSA-N 1 0 419.573 3.973 20 30 HHEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N ZINC001545672256 1075695504 /nfs/dbraw/zinc/69/55/04/1075695504.db2.gz GSOXEOYEYINVCX-IAGOWNOFSA-N 1 0 402.974 3.848 20 30 HHEDRO N#CCc1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164706795 719902057 /nfs/dbraw/zinc/90/20/57/719902057.db2.gz KKNXHWZFIKNZKD-UHFFFAOYSA-N 1 0 402.951 3.734 20 30 HHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C#N)CC2 ZINC001164710357 720098385 /nfs/dbraw/zinc/09/83/85/720098385.db2.gz JFZMVPVBBQYSMH-LJQANCHMSA-N 1 0 411.937 3.509 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001164810292 720200518 /nfs/dbraw/zinc/20/05/18/720200518.db2.gz BGVLQZKFKVBCKY-SQJMNOBHSA-N 1 0 408.590 3.752 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)[C@@H]2C ZINC001164860441 720958443 /nfs/dbraw/zinc/95/84/43/720958443.db2.gz PSWBEPWAAHQDFN-CYBMUJFWSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc(Cl)n1 ZINC001164907175 721532178 /nfs/dbraw/zinc/53/21/78/721532178.db2.gz MQBGJNLQGYCREK-WMZOPIPTSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164905248 721536490 /nfs/dbraw/zinc/53/64/90/721536490.db2.gz HHETXDPSXCWHRT-DOTOQJQBSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905249 721536971 /nfs/dbraw/zinc/53/69/71/721536971.db2.gz HHETXDPSXCWHRT-NVXWUHKLSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164906558 721562382 /nfs/dbraw/zinc/56/23/82/721562382.db2.gz JYNDKDJHUUSRSG-ZFWWWQNUSA-N 1 0 407.276 3.741 20 30 HHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C#C[Si](C)(C)C)[C@@H]2CCCO[C@H]12 ZINC001164804686 721565838 /nfs/dbraw/zinc/56/58/38/721565838.db2.gz MCPQIPYPJFTFHR-ZLNRFVROSA-N 1 0 420.633 3.574 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000524241669 1013052463 /nfs/dbraw/zinc/05/24/63/1013052463.db2.gz SDJYFQWFWWURJK-QFIPXVFZSA-N 1 0 409.530 3.562 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000301642483 971012121 /nfs/dbraw/zinc/01/21/21/971012121.db2.gz ZISCJFFVNAULHA-QGZVFWFLSA-N 1 0 416.447 3.886 20 30 HHEDRO N#Cc1cc(Br)ccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000302138125 971185194 /nfs/dbraw/zinc/18/51/94/971185194.db2.gz DRTYNEFHRKKWSH-UHFFFAOYSA-N 1 0 400.320 3.890 20 30 HHEDRO N#Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nc2ccc([N+](=O)[O-])cc12 ZINC000302612586 971264218 /nfs/dbraw/zinc/26/42/18/971264218.db2.gz BSYOWCXNNGWYOX-FQEVSTJZSA-N 1 0 417.469 3.583 20 30 HHEDRO CC(C)n1c(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nnc1C1CC[NH2+]CC1 ZINC000302673785 971276201 /nfs/dbraw/zinc/27/62/01/971276201.db2.gz PAWASOMMMWQIQC-UHFFFAOYSA-N 1 0 423.502 3.805 20 30 HHEDRO N#Cc1cc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000302671802 971276611 /nfs/dbraw/zinc/27/66/11/971276611.db2.gz ODDKFIOOBMVSSR-LBPRGKRZSA-N 1 0 421.486 3.559 20 30 HHEDRO N#Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000302774148 971314138 /nfs/dbraw/zinc/31/41/38/971314138.db2.gz DLBKJIOGJDVBMN-FQEVSTJZSA-N 1 0 417.469 3.718 20 30 HHEDRO C=CCOc1ccc(/C=C/C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000302911926 971388767 /nfs/dbraw/zinc/38/87/67/971388767.db2.gz PJFGSQHXUFRXKD-ZRDIBKRKSA-N 1 0 406.526 3.660 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000303185972 971548694 /nfs/dbraw/zinc/54/86/94/971548694.db2.gz YENWIEOFTIOOKT-IBGZPJMESA-N 1 0 411.502 3.581 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CC1 ZINC000303375667 971669232 /nfs/dbraw/zinc/66/92/32/971669232.db2.gz WISWGIJXRYYJSS-NRFANRHFSA-N 1 0 419.569 3.849 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000303470751 971772818 /nfs/dbraw/zinc/77/28/18/971772818.db2.gz HOPHRNYVXMOMRA-BWAGFHJFSA-N 1 0 409.574 3.537 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000303471618 971773422 /nfs/dbraw/zinc/77/34/22/971773422.db2.gz HRWDNSRTJLULJR-UHFFFAOYSA-N 1 0 404.923 3.952 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCCO)[C@H]2CCc3ccccc32)sc2c1CCC2 ZINC000303566416 971860282 /nfs/dbraw/zinc/86/02/82/971860282.db2.gz OFELJPFPDOOXEG-FQEVSTJZSA-N 1 0 409.555 3.809 20 30 HHEDRO CC(C)[C@@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@@H+]1C ZINC000553166575 1013125963 /nfs/dbraw/zinc/12/59/63/1013125963.db2.gz UOYFQQUQFBZAJM-FQEVSTJZSA-N 1 0 402.970 3.617 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)cc1 ZINC000303870286 972412192 /nfs/dbraw/zinc/41/21/92/972412192.db2.gz BEUBCHWGMRFEOL-UHFFFAOYSA-N 1 0 413.522 3.644 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccnc2OCC(F)(F)F)c1 ZINC000303874184 972415155 /nfs/dbraw/zinc/41/51/55/972415155.db2.gz CWBQZEFUJBHXDU-UHFFFAOYSA-N 1 0 412.412 3.747 20 30 HHEDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)cn2)C[C@H](C)O1 ZINC000303876461 972417648 /nfs/dbraw/zinc/41/76/48/972417648.db2.gz FBADIMMBYPKTKQ-KBPBESRZSA-N 1 0 423.439 3.521 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(Br)cc2Cl)cc1OC ZINC000303884524 972424658 /nfs/dbraw/zinc/42/46/58/972424658.db2.gz MUGIPYWLYLPRDU-UHFFFAOYSA-N 1 0 412.715 3.724 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCSCc2cccc3ccccc32)CC1 ZINC000303885159 972425980 /nfs/dbraw/zinc/42/59/80/972425980.db2.gz NAKUCWFLRCOZFF-UHFFFAOYSA-N 1 0 414.575 3.598 20 30 HHEDRO COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCCCC1 ZINC000303885684 972425985 /nfs/dbraw/zinc/42/59/85/972425985.db2.gz JXWFHFRAHYIMKK-FQEVSTJZSA-N 1 0 424.545 3.810 20 30 HHEDRO CCNC(=O)COc1ccc(CNC(=[NH2+])Nc2ccc([C@@H](C)CC)cc2)cc1OC ZINC000303886970 972426851 /nfs/dbraw/zinc/42/68/51/972426851.db2.gz KPEVPCHQHGYGHM-INIZCTEOSA-N 1 0 412.534 3.650 20 30 HHEDRO [NH2+]=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303894306 972433664 /nfs/dbraw/zinc/43/36/64/972433664.db2.gz SLVBETMANPFINA-UHFFFAOYSA-N 1 0 415.921 3.976 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000303893547 972433795 /nfs/dbraw/zinc/43/37/95/972433795.db2.gz RYRBBTGOXQGMQY-UHFFFAOYSA-N 1 0 413.396 3.580 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000303897777 972435931 /nfs/dbraw/zinc/43/59/31/972435931.db2.gz VCXOWXQTICCDTH-AWEZNQCLSA-N 1 0 403.324 3.711 20 30 HHEDRO CCCCCCNC(=[NH2+])NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000303909721 972480361 /nfs/dbraw/zinc/48/03/61/972480361.db2.gz YLKAPOFINVWPQM-UHFFFAOYSA-N 1 0 412.557 3.532 20 30 HHEDRO COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000537766068 1013328919 /nfs/dbraw/zinc/32/89/19/1013328919.db2.gz AVRLKZKWLSFUAR-PBHICJAKSA-N 1 0 402.539 3.971 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OCCOC)C1 ZINC000542425312 1013377741 /nfs/dbraw/zinc/37/77/41/1013377741.db2.gz NHZJBDUHSARNRI-QGZVFWFLSA-N 1 0 402.539 3.606 20 30 HHEDRO N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016401971 963033520 /nfs/dbraw/zinc/03/35/20/963033520.db2.gz ZCYMJXFJHQSUNE-UHFFFAOYSA-N 1 0 411.889 3.993 20 30 HHEDRO CC(C)[NH+]1CCC(N2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)CC2)CC1 ZINC000553505475 1013406154 /nfs/dbraw/zinc/40/61/54/1013406154.db2.gz WPZVKFCXOSKCIN-UHFFFAOYSA-N 1 0 417.479 3.519 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(c3cccc(Cl)c3)CC1)CCC2 ZINC000022198058 963607921 /nfs/dbraw/zinc/60/79/21/963607921.db2.gz YLYDUMYPMKKOIF-UHFFFAOYSA-N 1 0 414.962 3.913 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022692259 963698643 /nfs/dbraw/zinc/69/86/43/963698643.db2.gz JWWDLCIIMLKNLV-KRWDZBQOSA-O 1 0 403.593 3.922 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022692262 963698672 /nfs/dbraw/zinc/69/86/72/963698672.db2.gz JWWDLCIIMLKNLV-QGZVFWFLSA-O 1 0 403.593 3.922 20 30 HHEDRO CCC(CC)c1cc[n+](C(C(=O)c2[nH]c(C)c(C(=O)OC)c2C)C(=S)NC)cc1 ZINC000022734409 963705737 /nfs/dbraw/zinc/70/57/37/963705737.db2.gz AIPXDOGNPKEAKG-UHFFFAOYSA-O 1 0 416.567 3.767 20 30 HHEDRO C=CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc(OC)c1OC ZINC000023245661 963788775 /nfs/dbraw/zinc/78/87/75/963788775.db2.gz JHXOGVGDUMQOAP-UHFFFAOYSA-N 1 0 424.541 3.789 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000023753694 963884556 /nfs/dbraw/zinc/88/45/56/963884556.db2.gz XMAFFPSCTBXGNS-UHFFFAOYSA-N 1 0 401.432 3.854 20 30 HHEDRO COc1cc(C)c(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000024804618 964077858 /nfs/dbraw/zinc/07/78/58/964077858.db2.gz YWZRUPGPIXCAEY-UHFFFAOYSA-N 1 0 401.894 3.998 20 30 HHEDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 ZINC000542529493 1013471834 /nfs/dbraw/zinc/47/18/34/1013471834.db2.gz GSHCPTFVZVIPLW-JXFKEZNVSA-N 1 0 403.498 3.562 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000050057905 964252810 /nfs/dbraw/zinc/25/28/10/964252810.db2.gz BZCCYDBSTFLRKX-QGZVFWFLSA-N 1 0 412.559 3.698 20 30 HHEDRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c(C)c1 ZINC000027211602 964820004 /nfs/dbraw/zinc/82/00/04/964820004.db2.gz XGGVUGUCYQBRNT-QFIPXVFZSA-N 1 0 406.526 3.704 20 30 HHEDRO CC(C)COc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000052560708 964930414 /nfs/dbraw/zinc/93/04/14/964930414.db2.gz VMDGQVYCIREUBF-UHFFFAOYSA-N 1 0 408.546 3.866 20 30 HHEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000028694313 965164004 /nfs/dbraw/zinc/16/40/04/965164004.db2.gz RIEBCFHAJFIITE-UHFFFAOYSA-O 1 0 410.563 3.715 20 30 HHEDRO C=CCn1c(-c2ccco2)nn(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1=S ZINC000028784381 965182186 /nfs/dbraw/zinc/18/21/86/965182186.db2.gz ZDCOJDYQTIKPSO-UHFFFAOYSA-N 1 0 409.559 3.944 20 30 HHEDRO N#Cc1ccccc1OCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028885820 965207202 /nfs/dbraw/zinc/20/72/02/965207202.db2.gz QVCSPRHYXXZOQZ-UHFFFAOYSA-N 1 0 417.431 3.690 20 30 HHEDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979432 1013555386 /nfs/dbraw/zinc/55/53/86/1013555386.db2.gz GHEZFFPAFOGJHV-BVVFMGSASA-N 1 0 405.542 3.975 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223091 965432852 /nfs/dbraw/zinc/43/28/52/965432852.db2.gz ABILOEDQUBBSPL-RXVVDRJESA-N 1 0 407.514 3.678 20 30 HHEDRO COCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000057429695 965447293 /nfs/dbraw/zinc/44/72/93/965447293.db2.gz OCXDGRCGZHZTJI-UHFFFAOYSA-N 1 0 416.525 3.507 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000542646908 1013578727 /nfs/dbraw/zinc/57/87/27/1013578727.db2.gz UOWAQDNWNFQZCS-IBGZPJMESA-N 1 0 406.530 3.795 20 30 HHEDRO COc1ccc(SCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029985585 965583865 /nfs/dbraw/zinc/58/38/65/965583865.db2.gz AHMTVYMOHWFZJO-UHFFFAOYSA-N 1 0 409.555 3.784 20 30 HHEDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cnn(C(C)C)c2n1 ZINC000029985607 965584202 /nfs/dbraw/zinc/58/42/02/965584202.db2.gz VYZHYCVOKGCCTI-UHFFFAOYSA-N 1 0 416.529 3.540 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000030580231 965735632 /nfs/dbraw/zinc/73/56/32/965735632.db2.gz WUEOGFCFFSLKFS-HSZRJFAPSA-N 1 0 408.521 3.690 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000058580518 965793284 /nfs/dbraw/zinc/79/32/84/965793284.db2.gz WGHLJMLTHLTNOZ-SFHVURJKSA-N 1 0 420.340 3.817 20 30 HHEDRO NC(=NOCC(=O)N[C@H]1CCCc2ccccc21)c1cccc(C[NH+]2CCCCC2)c1 ZINC000060112972 966065968 /nfs/dbraw/zinc/06/59/68/966065968.db2.gz GGSUFPMWCNELQN-QHCPKHFHSA-N 1 0 420.557 3.503 20 30 HHEDRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000055935549 966146497 /nfs/dbraw/zinc/14/64/97/966146497.db2.gz CZXGGBCPUXGJFI-UHFFFAOYSA-N 1 0 402.608 3.881 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1)CC(C)C ZINC000538055779 1013631820 /nfs/dbraw/zinc/63/18/20/1013631820.db2.gz MMHQRUPYUGHQHA-UHFFFAOYSA-N 1 0 400.567 3.727 20 30 HHEDRO C[C@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056170956 966245851 /nfs/dbraw/zinc/24/58/51/966245851.db2.gz RQEAPUAUMLSAOT-SFHVURJKSA-N 1 0 419.529 3.812 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000062046810 966606517 /nfs/dbraw/zinc/60/65/17/966606517.db2.gz SWOHFBPQGMXEFD-MRXNPFEDSA-N 1 0 424.932 3.841 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)cc1C)C(C)C ZINC000062205260 966623213 /nfs/dbraw/zinc/62/32/13/966623213.db2.gz PZZNRYOOCCTHRP-GOSISDBHSA-N 1 0 422.367 3.511 20 30 HHEDRO C=CCN(CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)Cc1cccc(C#N)c1 ZINC000063300032 966807050 /nfs/dbraw/zinc/80/70/50/966807050.db2.gz YSNSGEMEDHXPAX-UHFFFAOYSA-N 1 0 416.569 3.589 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633635 966814852 /nfs/dbraw/zinc/81/48/52/966814852.db2.gz VITIAVGHCBXXLB-GOSISDBHSA-N 1 0 407.514 3.916 20 30 HHEDRO CSc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000042643476 966819306 /nfs/dbraw/zinc/81/93/06/966819306.db2.gz FDHINOGFCVDSHG-GOSISDBHSA-N 1 0 408.571 3.815 20 30 HHEDRO COC(=O)c1cccc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)c1C#N ZINC000542791496 1013683892 /nfs/dbraw/zinc/68/38/92/1013683892.db2.gz JCJSZFPIBUNTHZ-UHFFFAOYSA-N 1 0 407.392 3.706 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000043076690 966896956 /nfs/dbraw/zinc/89/69/56/966896956.db2.gz FVPHPXGWKIYLGM-UHFFFAOYSA-N 1 0 404.436 3.850 20 30 HHEDRO C=CCOc1ccccc1C[NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000063918403 966997854 /nfs/dbraw/zinc/99/78/54/966997854.db2.gz DJIFIUIWYYZCKK-UHFFFAOYSA-N 1 0 414.571 3.804 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000542836945 1013699101 /nfs/dbraw/zinc/69/91/01/1013699101.db2.gz BNJFLBKACHTWOX-UHFFFAOYSA-N 1 0 418.476 3.669 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000542837837 1013699644 /nfs/dbraw/zinc/69/96/44/1013699644.db2.gz SAXQNCYMDWLLDV-SFHVURJKSA-N 1 0 418.476 3.669 20 30 HHEDRO CC(C)C(=O)Nc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000044083853 967117975 /nfs/dbraw/zinc/11/79/75/967117975.db2.gz JPWNUDGNZVWJDU-UHFFFAOYSA-N 1 0 419.529 3.893 20 30 HHEDRO Cc1nc(SCC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)c(C)c1C ZINC000064311207 967134143 /nfs/dbraw/zinc/13/41/43/967134143.db2.gz DVLUTJWWBNTKKS-GASCZTMLSA-N 1 0 402.608 3.843 20 30 HHEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000538144027 1013704398 /nfs/dbraw/zinc/70/43/98/1013704398.db2.gz OMTMVUPDQCHEQF-NRFANRHFSA-N 1 0 404.432 3.600 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1C)C(C)C ZINC000044357721 967203374 /nfs/dbraw/zinc/20/33/74/967203374.db2.gz XUORZEBWWGBBPM-QFIPXVFZSA-N 1 0 400.567 3.652 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(C)C ZINC000046049222 967648018 /nfs/dbraw/zinc/64/80/18/967648018.db2.gz RUAMFYMITKDPFE-IFMALSPDSA-N 1 0 412.578 3.745 20 30 HHEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000538201277 1013756442 /nfs/dbraw/zinc/75/64/42/1013756442.db2.gz LDCJHOLALAEQOT-WIYYLYMNSA-N 1 0 402.608 3.530 20 30 HHEDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000538201275 1013756229 /nfs/dbraw/zinc/75/62/29/1013756229.db2.gz LDCJHOLALAEQOT-NQIIRXRSSA-N 1 0 402.608 3.530 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NCCSCc1ccccc1C#N)c1cccc(F)c1 ZINC000047935812 968370223 /nfs/dbraw/zinc/37/02/23/968370223.db2.gz CJDAVHPDUMLMSP-HXUWFJFHSA-N 1 0 400.523 3.533 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000048239154 968496476 /nfs/dbraw/zinc/49/64/76/968496476.db2.gz FLEOHFZNHDXNFD-UHFFFAOYSA-N 1 0 405.420 3.590 20 30 HHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)C1 ZINC000554128952 1013811724 /nfs/dbraw/zinc/81/17/24/1013811724.db2.gz VWAMRQSBRCPDKO-GLDPYIMESA-N 1 0 403.526 3.940 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1C#N ZINC000065909881 968708861 /nfs/dbraw/zinc/70/88/61/968708861.db2.gz HSKNWJBHJLBITC-UHFFFAOYSA-N 1 0 423.542 3.695 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000065930452 968720459 /nfs/dbraw/zinc/72/04/59/968720459.db2.gz DHSYFJVHRVBNFZ-UHFFFAOYSA-N 1 0 405.420 3.590 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c(OC)c1 ZINC000069434904 968832925 /nfs/dbraw/zinc/83/29/25/968832925.db2.gz GRZSPSDJSPSXAZ-UHFFFAOYSA-N 1 0 409.530 3.583 20 30 HHEDRO CC(C)N(C(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000072040613 968951832 /nfs/dbraw/zinc/95/18/32/968951832.db2.gz DZMFSKIGMBOTPE-UHFFFAOYSA-N 1 0 408.546 3.751 20 30 HHEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1=S ZINC000097506854 969149891 /nfs/dbraw/zinc/14/98/91/969149891.db2.gz FZVVPLGEAKQKDB-FQEVSTJZSA-N 1 0 406.559 3.608 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCC2)c1 ZINC000554234287 1013865098 /nfs/dbraw/zinc/86/50/98/1013865098.db2.gz VBCYUKJVQQBGSB-JOCHJYFZSA-N 1 0 404.514 3.692 20 30 HHEDRO CC(=O)Nc1ccc(S[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000108269459 969369182 /nfs/dbraw/zinc/36/91/82/969369182.db2.gz UBNUXEHKEGASEE-QGZVFWFLSA-N 1 0 424.570 3.588 20 30 HHEDRO COc1cccc(C[NH+]2CCC(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)c1 ZINC000108538006 969391242 /nfs/dbraw/zinc/39/12/42/969391242.db2.gz ACECJSBLSNJTIQ-XMMPIXPASA-N 1 0 421.541 3.751 20 30 HHEDRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1ccccc1C#N ZINC000108969096 969442278 /nfs/dbraw/zinc/44/22/78/969442278.db2.gz LLGVMNOWPXJQPU-GOSISDBHSA-N 1 0 403.530 3.529 20 30 HHEDRO O=C(C[NH2+][C@@H](CCO)c1ccc(Cl)cc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000554284238 1013893303 /nfs/dbraw/zinc/89/33/03/1013893303.db2.gz JKUBGPNSTVPSSW-IBGZPJMESA-N 1 0 424.850 3.540 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3cccc4cccnc43)cc2)c1C#N ZINC000554288698 1013895355 /nfs/dbraw/zinc/89/53/55/1013895355.db2.gz QOCFFCSJKHXLAU-UHFFFAOYSA-N 1 0 410.481 3.901 20 30 HHEDRO C[C@@H]1C[NH+](CC2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C[C@@H](C)O1 ZINC000110991031 969755504 /nfs/dbraw/zinc/75/55/04/969755504.db2.gz GPSAYGSZSYHBHO-WOJBJXKFSA-N 1 0 422.573 3.559 20 30 HHEDRO Cc1oc(NC(=O)C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c(C#N)c1C ZINC000111040808 969765262 /nfs/dbraw/zinc/76/52/62/969765262.db2.gz ZPVJQLQKJGEUIA-UHFFFAOYSA-N 1 0 409.465 3.800 20 30 HHEDRO CC(C)[NH2+]C1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000111172318 969793826 /nfs/dbraw/zinc/79/38/26/969793826.db2.gz DBHZRGXFULTFNW-UHFFFAOYSA-N 1 0 419.573 3.629 20 30 HHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112544489 969815982 /nfs/dbraw/zinc/81/59/82/969815982.db2.gz ITSKDHZSFYFFBJ-VQIMIIECSA-N 1 0 400.523 3.655 20 30 HHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000216610124 970079902 /nfs/dbraw/zinc/07/99/02/970079902.db2.gz ISZHYROWEWOIRM-UHFFFAOYSA-N 1 0 420.582 3.563 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000218894697 970086983 /nfs/dbraw/zinc/08/69/83/970086983.db2.gz OBDJDIZVSAHCMI-HZPDHXFCSA-N 1 0 423.483 3.741 20 30 HHEDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237016063 970207671 /nfs/dbraw/zinc/20/76/71/970207671.db2.gz NDEJLWLKTRCHLK-RUZDIDTESA-N 1 0 413.521 3.926 20 30 HHEDRO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000237016150 970207933 /nfs/dbraw/zinc/20/79/33/970207933.db2.gz VHXOTYGKLXJOOJ-RUZDIDTESA-N 1 0 413.521 3.926 20 30 HHEDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000237026579 970209587 /nfs/dbraw/zinc/20/95/87/970209587.db2.gz VHXOTYGKLXJOOJ-VWLOTQADSA-N 1 0 413.521 3.926 20 30 HHEDRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)C2)cn1 ZINC000237791644 970368203 /nfs/dbraw/zinc/36/82/03/970368203.db2.gz PSZXXSULRFCVES-JOCHJYFZSA-N 1 0 401.514 3.629 20 30 HHEDRO Cn1cc(N2CCC[C@H]([NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)C2)cn1 ZINC000237792844 970368961 /nfs/dbraw/zinc/36/89/61/970368961.db2.gz PSZXXSULRFCVES-QFIPXVFZSA-N 1 0 401.514 3.629 20 30 HHEDRO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(N(C)C)cc2)c(C)n1Cc1cccs1 ZINC000195560910 970513748 /nfs/dbraw/zinc/51/37/48/970513748.db2.gz OBZHESSKHHTWSA-UHFFFAOYSA-N 1 0 410.543 3.801 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000255958984 970612420 /nfs/dbraw/zinc/61/24/20/970612420.db2.gz JPPRQLSPKDZEHF-UYAOXDASSA-N 1 0 404.297 3.784 20 30 HHEDRO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000261429860 970675048 /nfs/dbraw/zinc/67/50/48/970675048.db2.gz KLHHULDHCVNSDO-UHFFFAOYSA-N 1 0 415.969 3.687 20 30 HHEDRO Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000303971473 972558838 /nfs/dbraw/zinc/55/88/38/972558838.db2.gz DUQXEAUVMLUZFR-UHFFFAOYSA-N 1 0 401.308 3.612 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000303978587 972564532 /nfs/dbraw/zinc/56/45/32/972564532.db2.gz MLIACBNQWAQRFX-OAQYLSRUSA-N 1 0 416.953 3.927 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(Oc3cccc(F)c3)nc2)cc1OC ZINC000303986697 972569675 /nfs/dbraw/zinc/56/96/75/972569675.db2.gz UQKPEPUWQDMSIG-UHFFFAOYSA-N 1 0 424.476 3.677 20 30 HHEDRO Cc1ccc(C[NH+]=C(NCc2cccc(OCC(N)=O)c2)Nc2ccccc2)cc1 ZINC000304286789 972599934 /nfs/dbraw/zinc/59/99/34/972599934.db2.gz IMFUWLIWUJRHIO-UHFFFAOYSA-N 1 0 402.498 3.617 20 30 HHEDRO COc1ccc([C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)N2CCCCC2)cc1 ZINC000304515190 972602683 /nfs/dbraw/zinc/60/26/83/972602683.db2.gz YOYZGJNKRVAZRU-FCHUYYIVSA-N 1 0 408.546 3.650 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCCC1 ZINC000304513783 972602869 /nfs/dbraw/zinc/60/28/69/972602869.db2.gz YADFHGIUXZJVRV-NHCUHLMSSA-N 1 0 408.546 3.650 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2Br)c1 ZINC000304746836 972604024 /nfs/dbraw/zinc/60/40/24/972604024.db2.gz VLTGZIVNOGJJRV-GFCCVEGCSA-N 1 0 408.296 3.660 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2csc(N3CCCC3)n2)c1 ZINC000304761341 972605228 /nfs/dbraw/zinc/60/52/28/972605228.db2.gz UHWVIKSITKXMKP-UHFFFAOYSA-N 1 0 403.552 3.510 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCCCc2ccc(Br)cc2F)cc1OC ZINC000304761766 972605376 /nfs/dbraw/zinc/60/53/76/972605376.db2.gz UVDGQWGOMWXZDA-UHFFFAOYSA-N 1 0 424.314 3.643 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1Cl ZINC000304762580 972605725 /nfs/dbraw/zinc/60/57/25/972605725.db2.gz VVVWYMABZAIXEG-UHFFFAOYSA-N 1 0 405.930 3.592 20 30 HHEDRO [NH2+]=C(NCCCc1ccc(Br)cc1F)N[C@@H]1CCOc2ccccc21 ZINC000304765922 972606926 /nfs/dbraw/zinc/60/69/26/972606926.db2.gz ZYTHSPCNAAFRQU-QGZVFWFLSA-N 1 0 406.299 3.949 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCC2CCN(CC(F)(F)F)CC2)c1 ZINC000304814423 972608221 /nfs/dbraw/zinc/60/82/21/972608221.db2.gz ZRJAVXWWYDVPOR-UHFFFAOYSA-N 1 0 416.488 3.875 20 30 HHEDRO COc1cc(OC)cc(OCCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000304823533 972608721 /nfs/dbraw/zinc/60/87/21/972608721.db2.gz DWTONSOYBNOCGA-UHFFFAOYSA-N 1 0 413.396 3.798 20 30 HHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1c(F)cccc1F ZINC000305185336 972609821 /nfs/dbraw/zinc/60/98/21/972609821.db2.gz CCAQOSLEPZZXHH-CQSZACIVSA-N 1 0 402.367 3.893 20 30 HHEDRO CC(C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC000305250498 972611632 /nfs/dbraw/zinc/61/16/32/972611632.db2.gz UXOVTQDSTDRZFT-CYBMUJFWSA-N 1 0 404.433 3.861 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000409518923 972974252 /nfs/dbraw/zinc/97/42/52/972974252.db2.gz FDERINCBYGXACB-QZTJIDSGSA-N 1 0 410.331 3.913 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000409520369 972976332 /nfs/dbraw/zinc/97/63/32/972976332.db2.gz LESLROQKQIHROG-AWEZNQCLSA-N 1 0 410.331 3.770 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1cccs1 ZINC000409734056 973208153 /nfs/dbraw/zinc/20/81/53/973208153.db2.gz NBMWEXSISJVWIE-DYESRHJHSA-N 1 0 405.527 3.618 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1cccs1 ZINC000409734059 973208672 /nfs/dbraw/zinc/20/86/72/973208672.db2.gz NBMWEXSISJVWIE-UWJYYQICSA-N 1 0 405.527 3.618 20 30 HHEDRO C[C@@H](NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000410374343 973971638 /nfs/dbraw/zinc/97/16/38/973971638.db2.gz YXOHEOGPPWPTOK-CEXWTWQISA-N 1 0 406.530 3.728 20 30 HHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000410392819 973990602 /nfs/dbraw/zinc/99/06/02/973990602.db2.gz QTEOSKZENBSZLM-QGZVFWFLSA-N 1 0 403.489 3.600 20 30 HHEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000425928528 974038261 /nfs/dbraw/zinc/03/82/61/974038261.db2.gz YKSUFNDHVBSRQS-HKUYNNGSSA-N 1 0 408.315 3.827 20 30 HHEDRO C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000426161017 974274194 /nfs/dbraw/zinc/27/41/94/974274194.db2.gz LJXNJYSJEAVNHS-AWEZNQCLSA-N 1 0 415.900 3.985 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674689 974594537 /nfs/dbraw/zinc/59/45/37/974594537.db2.gz LRKPADLNVGFPLX-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1Cl ZINC000426796932 974667123 /nfs/dbraw/zinc/66/71/23/974667123.db2.gz COCMNTCMCBCTDN-IBGZPJMESA-N 1 0 405.926 3.590 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)C[C@@H]3C)sc2C1 ZINC000427019275 974831277 /nfs/dbraw/zinc/83/12/77/974831277.db2.gz JKUHKOPEBKHCQV-JKSUJKDBSA-N 1 0 402.608 3.735 20 30 HHEDRO C=CCOc1ccc(C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000427298528 975034299 /nfs/dbraw/zinc/03/42/99/975034299.db2.gz DCKDURKEOQTMGH-OALUTQOASA-N 1 0 416.562 3.612 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000427822429 975308944 /nfs/dbraw/zinc/30/89/44/975308944.db2.gz DMIVBQKVSQNTLL-CKJXQJPGSA-N 1 0 413.543 3.684 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000427822431 975309070 /nfs/dbraw/zinc/30/90/70/975309070.db2.gz DMIVBQKVSQNTLL-QYWGDWMGSA-N 1 0 413.543 3.684 20 30 HHEDRO C[C@]1(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000428333180 975641212 /nfs/dbraw/zinc/64/12/12/975641212.db2.gz KLSMAMOKHWQTQM-RUZDIDTESA-N 1 0 418.541 3.838 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000428563608 975876681 /nfs/dbraw/zinc/87/66/81/975876681.db2.gz ZSHZPDTYJZTVAN-VWNXMTODSA-N 1 0 404.489 3.859 20 30 HHEDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000428791275 976066854 /nfs/dbraw/zinc/06/68/54/976066854.db2.gz ZHHAAOPIRDGFOF-DIFFPNOSSA-N 1 0 422.710 3.624 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)nc1 ZINC000428799842 976077504 /nfs/dbraw/zinc/07/75/04/976077504.db2.gz BPSJVARJOICNHD-GOSISDBHSA-N 1 0 409.287 3.917 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccccc1 ZINC000428851758 976139441 /nfs/dbraw/zinc/13/94/41/976139441.db2.gz RZNUJLIBPIELBJ-PZJWPPBQSA-N 1 0 410.587 3.929 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C#N ZINC000429016181 976297175 /nfs/dbraw/zinc/29/71/75/976297175.db2.gz AVTKXKMGXKGETM-PMAPCBKXSA-N 1 0 419.573 3.566 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429032295 976315773 /nfs/dbraw/zinc/31/57/73/976315773.db2.gz WOQDHDUKEITOTK-XMMPIXPASA-N 1 0 418.541 3.547 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429039337 976324410 /nfs/dbraw/zinc/32/44/10/976324410.db2.gz DLUITNYUUOFGRP-XMMPIXPASA-N 1 0 423.557 3.684 20 30 HHEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000429186429 976475972 /nfs/dbraw/zinc/47/59/72/976475972.db2.gz GTLZGOTXRMUBPL-XMMPIXPASA-N 1 0 406.530 3.588 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H](C4CCC4)C3)sc2C1 ZINC000429228035 976520767 /nfs/dbraw/zinc/52/07/67/976520767.db2.gz QFXXLTITLPTIFV-DOTOQJQBSA-N 1 0 401.576 3.822 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC[C@H](C3CCC3)C2)c1C#N ZINC000429244230 976532960 /nfs/dbraw/zinc/53/29/60/976532960.db2.gz FFBQXDQTJUAQBU-HXUWFJFHSA-N 1 0 424.545 3.695 20 30 HHEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000429278409 976562563 /nfs/dbraw/zinc/56/25/63/976562563.db2.gz QUNQXPQSVIFXDD-FQEVSTJZSA-N 1 0 412.331 3.850 20 30 HHEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@H]1OC ZINC000429314945 976584454 /nfs/dbraw/zinc/58/44/54/976584454.db2.gz ZDQXLDJNWWRCCE-WOJBJXKFSA-N 1 0 412.534 3.740 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccco1 ZINC000429647922 976941223 /nfs/dbraw/zinc/94/12/23/976941223.db2.gz TYHNWSINASWTQL-HXUWFJFHSA-N 1 0 405.502 3.870 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)[NH+]2CCCC2)o1 ZINC000429672680 976972465 /nfs/dbraw/zinc/97/24/65/976972465.db2.gz SCAUGNPZBQYGJU-OAQYLSRUSA-N 1 0 417.513 3.932 20 30 HHEDRO N#CCCn1ncc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1-c1ccccc1 ZINC000429723900 977014703 /nfs/dbraw/zinc/01/47/03/977014703.db2.gz VZTITCIXDWFYKV-UHFFFAOYSA-N 1 0 413.525 3.990 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(F)c1 ZINC000429734470 977025357 /nfs/dbraw/zinc/02/53/57/977025357.db2.gz IMLWTHUBXCVYBQ-NRFANRHFSA-N 1 0 405.477 3.636 20 30 HHEDRO C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000429786462 977067491 /nfs/dbraw/zinc/06/74/91/977067491.db2.gz UKFMMUQDYWOHGI-MRXNPFEDSA-N 1 0 412.534 3.684 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429829578 977099977 /nfs/dbraw/zinc/09/99/77/977099977.db2.gz VOECYJGTCHWYJA-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO CN(C(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000430317329 977472500 /nfs/dbraw/zinc/47/25/00/977472500.db2.gz IBPNEFZYAVZEKT-GOSISDBHSA-N 1 0 402.416 3.922 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+](Cc3ccc(F)cc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430738195 977718388 /nfs/dbraw/zinc/71/83/88/977718388.db2.gz ADGJWSRNZNDFDY-QHCPKHFHSA-N 1 0 421.516 3.852 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(SCC#N)c3)CC2)cc1 ZINC000430763132 977739420 /nfs/dbraw/zinc/73/94/20/977739420.db2.gz PDMWYFGREKVQMY-UHFFFAOYSA-N 1 0 409.555 3.953 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3c(F)cc(F)c(F)c3F)CC2)cc1 ZINC000430965906 977917755 /nfs/dbraw/zinc/91/77/55/977917755.db2.gz LVXJVYXYWOXXSA-UHFFFAOYSA-N 1 0 420.410 3.532 20 30 HHEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000430994373 977939707 /nfs/dbraw/zinc/93/97/07/977939707.db2.gz VEZZWFNYGARQJJ-XXBNENTESA-N 1 0 407.514 3.690 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000431127358 978035647 /nfs/dbraw/zinc/03/56/47/978035647.db2.gz OVDGRXWDLJYVAN-GOSISDBHSA-N 1 0 403.592 3.654 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000431393356 978267328 /nfs/dbraw/zinc/26/73/28/978267328.db2.gz QSNRFUSZFYJXGN-UHFFFAOYSA-N 1 0 416.591 3.505 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431671078 978424885 /nfs/dbraw/zinc/42/48/85/978424885.db2.gz BQSPZOYOVYCEDJ-GBXCKJPGSA-N 1 0 420.557 3.769 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000432492153 978845712 /nfs/dbraw/zinc/84/57/12/978845712.db2.gz GDESLRYBOLZCPL-SFHVURJKSA-N 1 0 406.530 3.913 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000432849105 978991238 /nfs/dbraw/zinc/99/12/38/978991238.db2.gz ZFISNVWUPKSRBE-HSZRJFAPSA-N 1 0 406.486 3.919 20 30 HHEDRO N#CCCC[C@H]([NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000433011458 979041626 /nfs/dbraw/zinc/04/16/26/979041626.db2.gz ORUKSTIMBZUJKG-QHCPKHFHSA-N 1 0 424.589 3.699 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cccn(CC)c2=O)cc1OCC ZINC000433207221 979142054 /nfs/dbraw/zinc/14/20/54/979142054.db2.gz JQDKDAURTTVSGO-UHFFFAOYSA-N 1 0 421.335 3.884 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433320318 979234808 /nfs/dbraw/zinc/23/48/08/979234808.db2.gz RTTDDVKYOOHNCO-MDYRTPRTSA-N 1 0 406.368 3.756 20 30 HHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1c(F)cccc1F ZINC000433321194 979235207 /nfs/dbraw/zinc/23/52/07/979235207.db2.gz UNXVEXXRLWPXEL-FQEVSTJZSA-N 1 0 410.472 3.529 20 30 HHEDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000433334283 979243855 /nfs/dbraw/zinc/24/38/55/979243855.db2.gz GYJWSYQALXSLHR-NTKDMRAZSA-N 1 0 403.530 3.578 20 30 HHEDRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433334387 979243936 /nfs/dbraw/zinc/24/39/36/979243936.db2.gz HKHRWNNFFIWQTH-LJQANCHMSA-N 1 0 415.545 3.569 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(-c2ccncc2)n1 ZINC000433337154 979246372 /nfs/dbraw/zinc/24/63/72/979246372.db2.gz RNQWHHIKOABCBK-NRFANRHFSA-N 1 0 404.518 3.769 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433346954 979253049 /nfs/dbraw/zinc/25/30/49/979253049.db2.gz JIBNECBPEHGMCO-TZIWHRDSSA-N 1 0 422.548 3.917 20 30 HHEDRO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n2c3ccccc3nc2c1C#N ZINC000433530815 979361326 /nfs/dbraw/zinc/36/13/26/979361326.db2.gz RQDUQZUPVCICPH-UHFFFAOYSA-N 1 0 416.573 3.662 20 30 HHEDRO COc1cc(C[N@H+](C)CCN2CCOC(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000434708578 980349292 /nfs/dbraw/zinc/34/92/92/980349292.db2.gz SHIPXXKGWIXKAI-UHFFFAOYSA-N 1 0 423.557 3.688 20 30 HHEDRO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1COc2ccccc2O1 ZINC000434833412 980430934 /nfs/dbraw/zinc/43/09/34/980430934.db2.gz KSHMGYJYFCVDEF-OAQYLSRUSA-N 1 0 417.513 3.911 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(-c2ccncc2)n1 ZINC000434837309 980433645 /nfs/dbraw/zinc/43/36/45/980433645.db2.gz SOGGDFVZMXTYHB-NRFANRHFSA-N 1 0 415.497 3.967 20 30 HHEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C1=O ZINC000434859697 980453906 /nfs/dbraw/zinc/45/39/06/980453906.db2.gz FLPIPIYYIJKGQV-GOSISDBHSA-N 1 0 415.946 3.716 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CN[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866870 980457640 /nfs/dbraw/zinc/45/76/40/980457640.db2.gz FAYZTZDBKUJYJK-JBYIUTFZSA-N 1 0 422.598 3.993 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1Br ZINC000434878768 980463694 /nfs/dbraw/zinc/46/36/94/980463694.db2.gz FQSOILVRJWALNL-IAQYHMDHSA-N 1 0 420.332 3.847 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)CC1 ZINC000435016735 980574150 /nfs/dbraw/zinc/57/41/50/980574150.db2.gz QLIQCXONCQDXSB-UHFFFAOYSA-N 1 0 410.301 3.941 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@H](C)C1 ZINC000435544979 980932808 /nfs/dbraw/zinc/93/28/08/980932808.db2.gz HKADUTLPYKIKTL-XLIONFOSSA-N 1 0 402.539 3.604 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)Nc3ccc(OC(C)C)c(C#N)c3)CCCC2)CC1 ZINC000435548122 980935216 /nfs/dbraw/zinc/93/52/16/980935216.db2.gz BNXMJCHECZYKSR-UHFFFAOYSA-N 1 0 414.550 3.891 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000435625718 980966080 /nfs/dbraw/zinc/96/60/80/980966080.db2.gz IYFLLWOHGVUOTM-UHFFFAOYSA-N 1 0 400.526 3.938 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000435632589 980968050 /nfs/dbraw/zinc/96/80/50/980968050.db2.gz PYHWPEUTUJKGRK-INIZCTEOSA-N 1 0 410.493 3.662 20 30 HHEDRO C=CCC[C@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000435763000 981020673 /nfs/dbraw/zinc/02/06/73/981020673.db2.gz QADPWCCTKULOEW-NRFANRHFSA-N 1 0 414.594 3.620 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000436307799 981289978 /nfs/dbraw/zinc/28/99/78/981289978.db2.gz LMPGOVJCKOBVFE-RFUYNDQBSA-N 1 0 405.340 3.970 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000436324786 981299536 /nfs/dbraw/zinc/29/95/36/981299536.db2.gz MJKIFNBGPUKXGA-RPBOFIJWSA-N 1 0 416.569 3.887 20 30 HHEDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OCCCC#N ZINC000436405999 981351429 /nfs/dbraw/zinc/35/14/29/981351429.db2.gz FWOJWJXUXHPEGM-APWZRJJASA-N 1 0 400.441 3.951 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000448199536 981611759 /nfs/dbraw/zinc/61/17/59/981611759.db2.gz VPVLMFLOALHUPI-WIYYLYMNSA-N 1 0 405.498 3.819 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000448199531 981611830 /nfs/dbraw/zinc/61/18/30/981611830.db2.gz VPVLMFLOALHUPI-NQIIRXRSSA-N 1 0 405.498 3.819 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000448321815 981698733 /nfs/dbraw/zinc/69/87/33/981698733.db2.gz OLKQRIBRTIQNEX-NRFANRHFSA-N 1 0 420.513 3.526 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000460207104 981981953 /nfs/dbraw/zinc/98/19/53/981981953.db2.gz ZUUJWGREGLWVAO-UHFFFAOYSA-N 1 0 401.518 3.753 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460272614 982048563 /nfs/dbraw/zinc/04/85/63/982048563.db2.gz ZQGMDVCAZHCCSY-MOPGFXCFSA-N 1 0 400.530 3.936 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(OC(F)F)c1 ZINC000437422201 982062497 /nfs/dbraw/zinc/06/24/97/982062497.db2.gz ZMDRGINEIPABOJ-QGZVFWFLSA-N 1 0 401.461 3.857 20 30 HHEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000460381640 982160181 /nfs/dbraw/zinc/16/01/81/982160181.db2.gz SLYNLTUXGQRPTI-UHFFFAOYSA-N 1 0 423.565 3.528 20 30 HHEDRO CCC(CC)[C@@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC000437629934 982250977 /nfs/dbraw/zinc/25/09/77/982250977.db2.gz ZSQUWCZBAJADOY-JOCHJYFZSA-N 1 0 400.567 3.617 20 30 HHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000437717147 982315586 /nfs/dbraw/zinc/31/55/86/982315586.db2.gz AKHAOJGYRVOZHN-YDIMBITNSA-N 1 0 418.541 3.729 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460543142 982330039 /nfs/dbraw/zinc/33/00/39/982330039.db2.gz LWEOEZIKXJGULD-SFHVURJKSA-N 1 0 413.541 3.658 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460546672 982333107 /nfs/dbraw/zinc/33/31/07/982333107.db2.gz VPGDXESNFAMWRP-LJQANCHMSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460547186 982333587 /nfs/dbraw/zinc/33/35/87/982333587.db2.gz WZDIURZZIUBQJZ-UHFFFAOYSA-N 1 0 401.580 3.687 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnn(Cc4ccc(F)cc4)c3)CC2)c1 ZINC000437756819 982338713 /nfs/dbraw/zinc/33/87/13/982338713.db2.gz ITGHHDGOBISENL-UHFFFAOYSA-N 1 0 417.488 3.793 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460562388 982347893 /nfs/dbraw/zinc/34/78/93/982347893.db2.gz SFQMVROMPKNKKN-FPOVZHCZSA-N 1 0 411.594 3.957 20 30 HHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000437774183 982348427 /nfs/dbraw/zinc/34/84/27/982348427.db2.gz LCESQARVTACGAX-HSZRJFAPSA-N 1 0 419.525 3.821 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000437950912 982482352 /nfs/dbraw/zinc/48/23/52/982482352.db2.gz FCCZUWOQFIYSJS-BGWNEDDSSA-N 1 0 419.525 3.983 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000437954764 982484706 /nfs/dbraw/zinc/48/47/06/982484706.db2.gz NXQIPJMYLGHSAK-FRGLQRNOSA-N 1 0 423.488 3.813 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000437959413 982489420 /nfs/dbraw/zinc/48/94/20/982489420.db2.gz XTNLTISCUQLARF-QDSKXPNFSA-N 1 0 419.525 3.869 20 30 HHEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000437968810 982496026 /nfs/dbraw/zinc/49/60/26/982496026.db2.gz FUUGQAHFMZEQHO-OAQYLSRUSA-N 1 0 402.498 3.924 20 30 HHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460781686 982534172 /nfs/dbraw/zinc/53/41/72/982534172.db2.gz UZJMOAKQBFAQRM-GHTZIAJQSA-N 1 0 413.541 3.803 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460782525 982534820 /nfs/dbraw/zinc/53/48/20/982534820.db2.gz JHQZEMVNJSSZCW-HKUYNNGSSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460786676 982539680 /nfs/dbraw/zinc/53/96/80/982539680.db2.gz LCAMFNGPVXEEGW-UEXGIBASSA-N 1 0 411.550 3.676 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460801731 982554459 /nfs/dbraw/zinc/55/44/59/982554459.db2.gz YJMWDNGYLCITRW-MOPGFXCFSA-N 1 0 413.566 3.751 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCC(CC)(CC)c2ccc(OC)c(OC)c2)CC1 ZINC000460937835 982675920 /nfs/dbraw/zinc/67/59/20/982675920.db2.gz RVCKGZQBZVDUKE-UHFFFAOYSA-N 1 0 403.567 3.711 20 30 HHEDRO CC(C)N1CCc2nc(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)sc2C1 ZINC000438466555 982817728 /nfs/dbraw/zinc/81/77/28/982817728.db2.gz FFQFNUBEOMMWQL-UHFFFAOYSA-N 1 0 411.575 3.656 20 30 HHEDRO CCOc1c(OC)cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000438479329 982827665 /nfs/dbraw/zinc/82/76/65/982827665.db2.gz BUBYIOQVLHHRBC-UHFFFAOYSA-N 1 0 411.502 3.849 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCOCc1ccc(C#N)cc1)[NH+](C)C ZINC000461224404 982934853 /nfs/dbraw/zinc/93/48/53/982934853.db2.gz GCJAPVZXHBIIDI-CVDCTZTESA-N 1 0 408.546 3.716 20 30 HHEDRO CC[NH+](CC)[C@@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438626497 982947145 /nfs/dbraw/zinc/94/71/45/982947145.db2.gz SJMYSXWDTPWJPI-LZBANZJXSA-N 1 0 406.530 3.843 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000438655940 982973762 /nfs/dbraw/zinc/97/37/62/982973762.db2.gz NTLNPZGCPHYDID-UHFFFAOYSA-N 1 0 422.554 3.908 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000438663545 982981283 /nfs/dbraw/zinc/98/12/83/982981283.db2.gz IULKZBFOPVDMJJ-UHFFFAOYSA-N 1 0 423.513 3.693 20 30 HHEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000438665192 982983830 /nfs/dbraw/zinc/98/38/30/982983830.db2.gz PNGLFGBDSGPLPV-UHFFFAOYSA-N 1 0 416.591 3.601 20 30 HHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000461300860 983001220 /nfs/dbraw/zinc/00/12/20/983001220.db2.gz YWFCXCPDNVIOJY-IBGZPJMESA-N 1 0 404.543 3.599 20 30 HHEDRO N#Cc1cccc(-c2nnc(CN3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)c1 ZINC000438782965 983067876 /nfs/dbraw/zinc/06/78/76/983067876.db2.gz OKAQWBDRTKIHCA-INIZCTEOSA-N 1 0 422.876 3.507 20 30 HHEDRO N#CCC[C@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000438835149 983104479 /nfs/dbraw/zinc/10/44/79/983104479.db2.gz KNGIMTQGJSCPML-DEOSSOPVSA-N 1 0 419.573 3.933 20 30 HHEDRO N#CCC[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000438844394 983112127 /nfs/dbraw/zinc/11/21/27/983112127.db2.gz YFZKTRYUVQQWMU-HSZRJFAPSA-N 1 0 405.546 3.543 20 30 HHEDRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cc(F)cc(C#N)c1 ZINC000461458970 983125854 /nfs/dbraw/zinc/12/58/54/983125854.db2.gz XKRFZEWQDBTDHM-LEWJYISDSA-N 1 0 405.517 3.955 20 30 HHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000438905811 983146269 /nfs/dbraw/zinc/14/62/69/983146269.db2.gz YZYDYTSAGMLIQL-UHFFFAOYSA-N 1 0 411.509 3.836 20 30 HHEDRO COc1cccc([C@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)[NH+](C)C)c1 ZINC000439133389 983266417 /nfs/dbraw/zinc/26/64/17/983266417.db2.gz RROFRCMDJGDMBE-KRWDZBQOSA-N 1 0 400.404 3.669 20 30 HHEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2Cl)C(C)C)cc1 ZINC000439450717 983415739 /nfs/dbraw/zinc/41/57/39/983415739.db2.gz WUQGZKVEBQBHSD-FQEVSTJZSA-N 1 0 415.921 3.820 20 30 HHEDRO CCCc1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439668354 983493048 /nfs/dbraw/zinc/49/30/48/983493048.db2.gz DSVHZZFXWYSNPR-HXUWFJFHSA-N 1 0 406.534 3.789 20 30 HHEDRO CCCc1c(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439669253 983493413 /nfs/dbraw/zinc/49/34/13/983493413.db2.gz WJAUOMUDNWAIIO-MSOLQXFVSA-N 1 0 408.550 3.938 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439731730 983518276 /nfs/dbraw/zinc/51/82/76/983518276.db2.gz KPVJLFFORJVELH-JPYJTQIMSA-N 1 0 406.530 3.698 20 30 HHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000439769364 983531185 /nfs/dbraw/zinc/53/11/85/983531185.db2.gz VFLXEQGHZXLHQJ-IBGZPJMESA-N 1 0 406.530 3.844 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000439979405 983603209 /nfs/dbraw/zinc/60/32/09/983603209.db2.gz LZFHULSAAXIMTH-BVKOHWRASA-N 1 0 410.562 3.681 20 30 HHEDRO CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000440187952 983675558 /nfs/dbraw/zinc/67/55/58/983675558.db2.gz MKZQSTPOUISCKE-NRFANRHFSA-N 1 0 412.509 3.628 20 30 HHEDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000440479432 983771713 /nfs/dbraw/zinc/77/17/13/983771713.db2.gz RLGMLQYQGAAUTK-MRXNPFEDSA-N 1 0 403.486 3.836 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440486505 983774037 /nfs/dbraw/zinc/77/40/37/983774037.db2.gz YROVXXYYZNNQOV-SBUREZEXSA-N 1 0 409.555 3.833 20 30 HHEDRO CCC[C@H]1CN(CCOc2ccc(C#N)cc2)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000440567303 983798405 /nfs/dbraw/zinc/79/84/05/983798405.db2.gz WGUQQJYLFWGPNF-QHCPKHFHSA-N 1 0 418.541 3.674 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000440932389 983986467 /nfs/dbraw/zinc/98/64/67/983986467.db2.gz KKIRSKHUGQQVKD-UHFFFAOYSA-N 1 0 421.545 3.807 20 30 HHEDRO COc1cccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]2CCCO2)c1 ZINC000441235190 984130451 /nfs/dbraw/zinc/13/04/51/984130451.db2.gz RUUKCTGCJDQMJI-NRFANRHFSA-N 1 0 404.470 3.798 20 30 HHEDRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000441242003 984133648 /nfs/dbraw/zinc/13/36/48/984133648.db2.gz ZMJPORGYSOECBZ-NTKDMRAZSA-N 1 0 419.573 3.823 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441282512 984157606 /nfs/dbraw/zinc/15/76/06/984157606.db2.gz VQMBEXDSTIXUTN-FGZHOGPDSA-N 1 0 420.557 3.712 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441283699 984158066 /nfs/dbraw/zinc/15/80/66/984158066.db2.gz WMTODOGKTBQNRG-RBUKOAKNSA-N 1 0 424.520 3.792 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000441388976 984225211 /nfs/dbraw/zinc/22/52/11/984225211.db2.gz UEDINCIMLIULFH-BBRMVZONSA-N 1 0 410.331 3.911 20 30 HHEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[NH+]1CCCC1 ZINC000441591766 984343145 /nfs/dbraw/zinc/34/31/45/984343145.db2.gz SAKHLNCODGQIPN-SFHVURJKSA-N 1 0 424.467 3.532 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1cccs1 ZINC000441924331 984543415 /nfs/dbraw/zinc/54/34/15/984543415.db2.gz JVPOBUDBGWTSRL-UZLBHIALSA-N 1 0 424.570 3.687 20 30 HHEDRO Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000441981264 984578491 /nfs/dbraw/zinc/57/84/91/984578491.db2.gz AJFLVIPRPYNLRQ-IFMALSPDSA-N 1 0 409.555 3.542 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1cccc(C)c1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000441993292 984583831 /nfs/dbraw/zinc/58/38/31/984583831.db2.gz FBOUQSFKARKZLI-SFHVURJKSA-N 1 0 406.530 3.831 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccc(OCC)cc2)CC1 ZINC000442279752 984788054 /nfs/dbraw/zinc/78/80/54/984788054.db2.gz YUXMLSAGMVMIGF-UHFFFAOYSA-N 1 0 423.513 3.583 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000442301563 984799183 /nfs/dbraw/zinc/79/91/83/984799183.db2.gz FVGHQOJLMOOXMU-UHFFFAOYSA-N 1 0 420.538 3.668 20 30 HHEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCCO1 ZINC000461843289 984852387 /nfs/dbraw/zinc/85/23/87/984852387.db2.gz SICOPPPYQRUBKB-JOCHJYFZSA-N 1 0 422.577 3.555 20 30 HHEDRO N#Cc1ccc(CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C2CC2)cc1 ZINC000442455674 984958453 /nfs/dbraw/zinc/95/84/53/984958453.db2.gz MQAFPOQPVJRGNP-UHFFFAOYSA-N 1 0 416.525 3.674 20 30 HHEDRO CC(C)C1CCC([NH+]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)CC1 ZINC000462100648 985071411 /nfs/dbraw/zinc/07/14/11/985071411.db2.gz GSYVACIVOOCBKM-UHFFFAOYSA-N 1 0 421.549 3.503 20 30 HHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCOc2cccc(C#N)c2)c2ccc(F)cc2)c1 ZINC000462174499 985153400 /nfs/dbraw/zinc/15/34/00/985153400.db2.gz HNHZUHWWVLCXPL-HSZRJFAPSA-N 1 0 424.497 3.859 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000462187493 985169431 /nfs/dbraw/zinc/16/94/31/985169431.db2.gz GISVYJCXKLIXHP-WZONZLPQSA-N 1 0 415.493 3.981 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000443010344 985334399 /nfs/dbraw/zinc/33/43/99/985334399.db2.gz DIQYPDSIFHTTHP-OXQOHEQNSA-N 1 0 401.507 3.543 20 30 HHEDRO CCN(C(=O)NCc1ccc(C#N)c(OC)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000462476615 985433553 /nfs/dbraw/zinc/43/35/53/985433553.db2.gz AQBLYKANTXDELC-AVRDEDQJSA-N 1 0 406.530 3.934 20 30 HHEDRO CCN(C(=O)NCc1ccc(C#N)c(OC)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000462476617 985433777 /nfs/dbraw/zinc/43/37/77/985433777.db2.gz AQBLYKANTXDELC-PGRDOPGGSA-N 1 0 406.530 3.934 20 30 HHEDRO COc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000462483463 985439291 /nfs/dbraw/zinc/43/92/91/985439291.db2.gz LXBJFDBYBVGXOU-AVRDEDQJSA-N 1 0 406.530 3.761 20 30 HHEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443368459 985529242 /nfs/dbraw/zinc/52/92/42/985529242.db2.gz JCKJDHJSCCKLPM-WBVHZDCISA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443379920 985539863 /nfs/dbraw/zinc/53/98/63/985539863.db2.gz ZLQCPAZPYUTYKQ-HNAYVOBHSA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNc3ccc(C(F)(F)F)c(C#N)n3)cc2)C[C@H](C)O1 ZINC000443522250 985692233 /nfs/dbraw/zinc/69/22/33/985692233.db2.gz YCDLFVIWMBLUKB-GJZGRUSLSA-N 1 0 404.436 4.193 20 30 HHEDRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000468086847 985744470 /nfs/dbraw/zinc/74/44/70/985744470.db2.gz OZWXNTQMERDTBL-UHFFFAOYSA-N 1 0 409.715 3.773 20 30 HHEDRO C=C(C)C[NH+]1CCC(Nc2ncnc3ccc(I)cc32)CC1 ZINC000462829167 985751380 /nfs/dbraw/zinc/75/13/80/985751380.db2.gz XREVDCSAIXPWDP-UHFFFAOYSA-N 1 0 408.287 3.687 20 30 HHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000468166169 985844291 /nfs/dbraw/zinc/84/42/91/985844291.db2.gz AAJUTBXPGFVMHV-QGZVFWFLSA-N 1 0 410.566 3.653 20 30 HHEDRO C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(C)(C)C[NH+](C)C ZINC000443687397 985900655 /nfs/dbraw/zinc/90/06/55/985900655.db2.gz WWMSUEYPSJNPGW-INIZCTEOSA-N 1 0 407.518 3.908 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)CC1 ZINC000468234957 985932953 /nfs/dbraw/zinc/93/29/53/985932953.db2.gz NMIGRSPSIMQSBT-UHFFFAOYSA-N 1 0 415.497 3.603 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 ZINC000468244047 985941644 /nfs/dbraw/zinc/94/16/44/985941644.db2.gz XGKCCQMYSBRGGQ-UHFFFAOYSA-N 1 0 418.497 3.864 20 30 HHEDRO CC[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000468255575 985956053 /nfs/dbraw/zinc/95/60/53/985956053.db2.gz PIKKWLQYJZRRKG-NRFANRHFSA-N 1 0 400.482 3.780 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017877 985975075 /nfs/dbraw/zinc/97/50/75/985975075.db2.gz YFUDWWKDUDBJPG-CYFREDJKSA-N 1 0 418.541 3.632 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000443836248 986034090 /nfs/dbraw/zinc/03/40/90/986034090.db2.gz GSWQNOLEBDUAQU-UTKZUKDTSA-N 1 0 406.530 3.542 20 30 HHEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1Nc1ccc(OC)cc1 ZINC000463101697 986061987 /nfs/dbraw/zinc/06/19/87/986061987.db2.gz KACAUTGNPAHDSQ-UHFFFAOYSA-N 1 0 418.545 3.581 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(Cl)ccc3N3CCOCC3)CC2)cc1 ZINC000463237687 986205488 /nfs/dbraw/zinc/20/54/88/986205488.db2.gz MSZQGMUIBCMJRX-UHFFFAOYSA-N 1 0 424.976 3.802 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCCCn3cc(Br)cn3)CC2)cc1 ZINC000463240103 986208450 /nfs/dbraw/zinc/20/84/50/986208450.db2.gz JDDXXDOELYIXEW-UHFFFAOYSA-N 1 0 416.367 3.552 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CSCCN3Cc3ccccc3)CC2)cc1 ZINC000463241472 986210114 /nfs/dbraw/zinc/21/01/14/986210114.db2.gz BWUAVKDHNMCRKC-VWLOTQADSA-N 1 0 420.626 3.730 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)c1C#N ZINC000444167126 986343336 /nfs/dbraw/zinc/34/33/36/986343336.db2.gz CXNOYYHMVAAYJA-QFIPXVFZSA-N 1 0 421.589 3.770 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196497 986374842 /nfs/dbraw/zinc/37/48/42/986374842.db2.gz QBMWPMMSZOVNER-ROUUACIJSA-N 1 0 414.619 3.881 20 30 HHEDRO N#Cc1ccc(N2CCN(C(=O)NCCCCC[NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000444198531 986377443 /nfs/dbraw/zinc/37/74/43/986377443.db2.gz ZXPSSQNPQGJEIZ-UHFFFAOYSA-N 1 0 417.985 3.699 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@](CO)(c4ccccc4)C3)sc2C1 ZINC000463429431 986400054 /nfs/dbraw/zinc/40/00/54/986400054.db2.gz JLJJDGGSAMKOBW-BXKMTCNYSA-N 1 0 423.582 3.709 20 30 HHEDRO N#Cc1c(NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)sc2c1CCCCC2 ZINC000444218733 986402820 /nfs/dbraw/zinc/40/28/20/986402820.db2.gz YEIXGQHGHLGMMF-KRWDZBQOSA-N 1 0 400.592 3.635 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000463433855 986409483 /nfs/dbraw/zinc/40/94/83/986409483.db2.gz ZATDTPLRVSHQGO-ICSRJNTNSA-N 1 0 400.592 3.550 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463438985 986415375 /nfs/dbraw/zinc/41/53/75/986415375.db2.gz XUGHGSWRYVEFNW-HYBUGGRVSA-N 1 0 412.599 3.968 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1C ZINC000463443886 986423610 /nfs/dbraw/zinc/42/36/10/986423610.db2.gz YJFKZTJVYZWVRE-AREMUKBSSA-N 1 0 419.569 3.867 20 30 HHEDRO C[C@@H]1CCc2ccccc2N1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000468726103 986439493 /nfs/dbraw/zinc/43/94/93/986439493.db2.gz UAZDLJKPTXARSC-HXUWFJFHSA-N 1 0 404.558 3.680 20 30 HHEDRO N#CCCCn1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000444260754 986457430 /nfs/dbraw/zinc/45/74/30/986457430.db2.gz BRJHLQDDVJTSJA-UHFFFAOYSA-N 1 0 401.514 3.734 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000463485237 986460485 /nfs/dbraw/zinc/46/04/85/986460485.db2.gz RZIUGDBXWHQMQD-UHFFFAOYSA-N 1 0 424.520 3.886 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463506350 986481589 /nfs/dbraw/zinc/48/15/89/986481589.db2.gz JNOBVMAADDAIQS-ZWKOTPCHSA-N 1 0 401.432 3.669 20 30 HHEDRO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444392182 986568184 /nfs/dbraw/zinc/56/81/84/986568184.db2.gz OBAWSUPFLDPKHU-IBGZPJMESA-N 1 0 413.566 3.709 20 30 HHEDRO COc1cc(C)ccc1Oc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cn1 ZINC000444393248 986570005 /nfs/dbraw/zinc/57/00/05/986570005.db2.gz SBHPTJFEBCJFSN-UHFFFAOYSA-N 1 0 411.506 3.890 20 30 HHEDRO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000444394068 986571150 /nfs/dbraw/zinc/57/11/50/986571150.db2.gz UHLYUZNICIYDFP-UHFFFAOYSA-N 1 0 407.946 3.520 20 30 HHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cc(-c4cccc(C#N)c4)no3)CCCCC2)CCO1 ZINC000468898062 986605012 /nfs/dbraw/zinc/60/50/12/986605012.db2.gz HXQZBRRFMRIVFJ-UHFFFAOYSA-N 1 0 422.529 3.757 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000469164621 986889418 /nfs/dbraw/zinc/88/94/18/986889418.db2.gz KOMMTBWUNAWJDR-HSZRJFAPSA-N 1 0 404.558 3.726 20 30 HHEDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000444767074 986927173 /nfs/dbraw/zinc/92/71/73/986927173.db2.gz OUJVWUHVZQNLBE-XMMPIXPASA-N 1 0 408.546 3.590 20 30 HHEDRO CC(C)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCC1 ZINC000444771514 986931118 /nfs/dbraw/zinc/93/11/18/986931118.db2.gz PNSQLCHPKZYRMQ-IBGZPJMESA-N 1 0 412.578 3.867 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444780339 986937013 /nfs/dbraw/zinc/93/70/13/986937013.db2.gz DTSUMBHDNQYIIM-OAQYLSRUSA-N 1 0 405.542 3.639 20 30 HHEDRO C=CC[C@H]1[N@@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CCCC1(C)C ZINC000444788362 986944274 /nfs/dbraw/zinc/94/42/74/986944274.db2.gz USDUJEMGBSRDOZ-OAQYLSRUSA-N 1 0 403.611 3.741 20 30 HHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000469255194 986974353 /nfs/dbraw/zinc/97/43/53/986974353.db2.gz NXGSRDFIKJLDTL-FZKQIMNGSA-N 1 0 414.303 3.785 20 30 HHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000444841139 986999429 /nfs/dbraw/zinc/99/94/29/986999429.db2.gz VISHEMDMEMEXRU-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000469322016 987031653 /nfs/dbraw/zinc/03/16/53/987031653.db2.gz QEDIVXPISHVCQI-SFHVURJKSA-N 1 0 408.571 3.938 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000469617313 987279030 /nfs/dbraw/zinc/27/90/30/987279030.db2.gz JWGKSXSZSMTKIK-LJQANCHMSA-N 1 0 407.514 3.527 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000469737449 987388450 /nfs/dbraw/zinc/38/84/50/987388450.db2.gz QNDOVVLFXINVKC-JWQCQUIFSA-N 1 0 419.569 3.971 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000469926987 987554349 /nfs/dbraw/zinc/55/43/49/987554349.db2.gz LVWZZBSJRLCILQ-OYRHEFFESA-N 1 0 404.514 3.941 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(C)o1 ZINC000470022011 987632236 /nfs/dbraw/zinc/63/22/36/987632236.db2.gz FYTCITYKHHTOCE-UHFFFAOYSA-N 1 0 401.532 3.877 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000470294845 988253838 /nfs/dbraw/zinc/25/38/38/988253838.db2.gz FUZNMKHLIIKGKC-UHFFFAOYSA-N 1 0 406.408 3.894 20 30 HHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nc2sc(C)c(C)c2c1=O ZINC000470456783 988439877 /nfs/dbraw/zinc/43/98/77/988439877.db2.gz ZGPCZPIFGXKNED-UHFFFAOYSA-N 1 0 420.648 3.769 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)CC1 ZINC000470532664 988536015 /nfs/dbraw/zinc/53/60/15/988536015.db2.gz YARMKSDTDIDVQW-RPWUZVMVSA-N 1 0 402.542 3.740 20 30 HHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470880208 988950376 /nfs/dbraw/zinc/95/03/76/988950376.db2.gz NYSFZYUTLNVYMH-NRFANRHFSA-N 1 0 404.539 3.736 20 30 HHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000470892404 988965082 /nfs/dbraw/zinc/96/50/82/988965082.db2.gz RSEQGLMBYOBHIW-KPQWGBOZSA-N 1 0 410.562 3.622 20 30 HHEDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000464773010 988997948 /nfs/dbraw/zinc/99/79/48/988997948.db2.gz KHVACMLIRCQUQD-ROUUACIJSA-N 1 0 406.596 3.558 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464777488 989004000 /nfs/dbraw/zinc/00/40/00/989004000.db2.gz QBXSDLFAWSFAST-QGZVFWFLSA-N 1 0 402.608 3.881 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464779544 989006581 /nfs/dbraw/zinc/00/65/81/989006581.db2.gz UJYUVJXYKAFLIZ-SJORKVTESA-N 1 0 402.608 3.879 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000470962179 989025796 /nfs/dbraw/zinc/02/57/96/989025796.db2.gz VLUHIQLEQLSPFI-WAOWUJCRSA-N 1 0 421.459 3.982 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](C[N@H+](C)CC4CC4)C3)sc2C1 ZINC000470983490 989048530 /nfs/dbraw/zinc/04/85/30/989048530.db2.gz OBFFNNQPAMUGLZ-AEFFLSMTSA-N 1 0 414.619 3.737 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(OCC4CC4)CC3)sc2C1 ZINC000464822996 989060654 /nfs/dbraw/zinc/06/06/54/989060654.db2.gz OGCHHNPAMBAJES-OAHLLOKOSA-N 1 0 401.576 3.964 20 30 HHEDRO N#CCCn1cc(C(=O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccc21 ZINC000470998790 989064668 /nfs/dbraw/zinc/06/46/68/989064668.db2.gz QQTQHYWMCWCAPM-SZPZYZBQSA-N 1 0 412.537 3.801 20 30 HHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834719 989077093 /nfs/dbraw/zinc/07/70/93/989077093.db2.gz SYKNHULZOPXERQ-MJGOQNOKSA-N 1 0 410.949 3.993 20 30 HHEDRO C[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000464842547 989089667 /nfs/dbraw/zinc/08/96/67/989089667.db2.gz IUMLNZCUXLUOSW-IBGZPJMESA-N 1 0 408.571 3.837 20 30 HHEDRO CCN(CCC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)CC(F)(F)F ZINC000471026610 989098002 /nfs/dbraw/zinc/09/80/02/989098002.db2.gz ZQQTUVNMSCKBPU-GOSISDBHSA-N 1 0 402.892 3.797 20 30 HHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000464853190 989106491 /nfs/dbraw/zinc/10/64/91/989106491.db2.gz FIVPQQUTUJAPQX-MRXNPFEDSA-N 1 0 419.451 3.737 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1C#N ZINC000464858503 989113025 /nfs/dbraw/zinc/11/30/25/989113025.db2.gz WXUJETLJPNNOQU-LAUBAEHRSA-N 1 0 410.493 3.544 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000464974691 989275392 /nfs/dbraw/zinc/27/53/92/989275392.db2.gz UXUAYWXFIPKHEJ-HXUWFJFHSA-N 1 0 419.525 3.890 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471159495 989277711 /nfs/dbraw/zinc/27/77/11/989277711.db2.gz GRXWQGLLLWFTOG-XMMPIXPASA-N 1 0 400.526 3.789 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000471214558 989356827 /nfs/dbraw/zinc/35/68/27/989356827.db2.gz BZJLTOGNHUNXKK-SFHVURJKSA-N 1 0 406.530 3.742 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1C ZINC000465188781 989524931 /nfs/dbraw/zinc/52/49/31/989524931.db2.gz BMLHKIJJPXSZLA-FQEVSTJZSA-N 1 0 407.562 3.788 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(NC(=O)N(C)C)c1C)C(C)C ZINC000471373595 989549304 /nfs/dbraw/zinc/54/93/04/989549304.db2.gz PQVXDMJYAKSSEJ-HXUWFJFHSA-N 1 0 401.555 3.909 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471526592 989726638 /nfs/dbraw/zinc/72/66/38/989726638.db2.gz FXLYNXQYIHLFTI-FQEVSTJZSA-N 1 0 408.571 3.613 20 30 HHEDRO COc1cccc([C@H](CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[NH+](C)C)c1 ZINC000465435974 989781615 /nfs/dbraw/zinc/78/16/15/989781615.db2.gz UOADNKDCLJVZJG-ZLNRFVROSA-N 1 0 406.530 3.779 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471747768 989942356 /nfs/dbraw/zinc/94/23/56/989942356.db2.gz NBDXEZZFRYNYKV-DVECYGJZSA-N 1 0 400.526 3.789 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000471791082 989977474 /nfs/dbraw/zinc/97/74/74/989977474.db2.gz UXBVSWYSHXPMGM-ZEQRLZLVSA-N 1 0 400.526 3.830 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000465802294 990184082 /nfs/dbraw/zinc/18/40/82/990184082.db2.gz BOKUEHBGEVAFRP-FCHUYYIVSA-N 1 0 406.530 3.608 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@H](CC)c3ccc(F)cc3F)CC2)CC1 ZINC000465862737 990974814 /nfs/dbraw/zinc/97/48/14/990974814.db2.gz PICQSPUYYIPNDZ-JOCHJYFZSA-N 1 0 420.548 3.784 20 30 HHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000465888293 991012224 /nfs/dbraw/zinc/01/22/24/991012224.db2.gz JMYHFZQKWPNVHM-BJKOFHAPSA-N 1 0 420.557 3.651 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)CCCC2)CC1 ZINC000465902899 991030325 /nfs/dbraw/zinc/03/03/25/991030325.db2.gz JTRNRHJLVXDOKF-GOTSBHOMSA-N 1 0 424.589 3.891 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466004686 991170402 /nfs/dbraw/zinc/17/04/02/991170402.db2.gz KAVXWRUIFRXIFR-UHFFFAOYSA-N 1 0 404.558 3.825 20 30 HHEDRO Cc1ccccc1O[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466179631 991372564 /nfs/dbraw/zinc/37/25/64/991372564.db2.gz UWNAKDHYTKCBFW-HXUWFJFHSA-N 1 0 406.530 3.552 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1OCCCC#N ZINC000466475582 991768172 /nfs/dbraw/zinc/76/81/72/991768172.db2.gz UNLZQPOADBTPHY-GHTZIAJQSA-N 1 0 407.514 3.657 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466520968 991813439 /nfs/dbraw/zinc/81/34/39/991813439.db2.gz VJWRETUTPCBJQP-UGKGYDQZSA-N 1 0 418.541 3.774 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466531315 991830408 /nfs/dbraw/zinc/83/04/08/991830408.db2.gz TVINHQIFKSZBEZ-GHTZIAJQSA-N 1 0 408.502 3.955 20 30 HHEDRO C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466620218 991935938 /nfs/dbraw/zinc/93/59/38/991935938.db2.gz SYXZBIIBTRKYPW-QUCCMNQESA-N 1 0 407.518 3.796 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000466621668 991937920 /nfs/dbraw/zinc/93/79/20/991937920.db2.gz SUACFQYTYINCOA-MOPGFXCFSA-N 1 0 407.518 3.891 20 30 HHEDRO N#Cc1cccc(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000466806293 992115269 /nfs/dbraw/zinc/11/52/69/992115269.db2.gz LGWRCBBYGIUHLX-BJKOFHAPSA-N 1 0 402.542 3.797 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466932808 992244426 /nfs/dbraw/zinc/24/44/26/992244426.db2.gz CXORULRFKSOXKC-SCLBCKFNSA-N 1 0 410.331 3.769 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939508 992250014 /nfs/dbraw/zinc/25/00/14/992250014.db2.gz RVQHYYJPJPTAAJ-UZUQRXQVSA-N 1 0 406.505 3.892 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000466944030 992255072 /nfs/dbraw/zinc/25/50/72/992255072.db2.gz KXWYVSNTLINBOV-UHFFFAOYSA-N 1 0 413.525 3.894 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc(C2CCCCC2)no1 ZINC000467029757 992338359 /nfs/dbraw/zinc/33/83/59/992338359.db2.gz WVZOGQFRDYQCAH-KRWDZBQOSA-N 1 0 424.549 3.823 20 30 HHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000467299033 992625141 /nfs/dbraw/zinc/62/51/41/992625141.db2.gz RAZYZVARHJRMDA-SFHVURJKSA-N 1 0 412.509 3.792 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000467486173 992774593 /nfs/dbraw/zinc/77/45/93/992774593.db2.gz NMQDUGYIGNFULR-RHSMWYFYSA-N 1 0 400.429 3.944 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000467725849 992979597 /nfs/dbraw/zinc/97/95/97/992979597.db2.gz ZNRVSUXZKVPHSB-UHFFFAOYSA-N 1 0 412.456 3.932 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000467756106 993000971 /nfs/dbraw/zinc/00/09/71/993000971.db2.gz CSACTPMSNBANPB-CRAIPNDOSA-N 1 0 406.555 3.945 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC[C@H]2CC(C)C)c1C#N ZINC000472235777 993264092 /nfs/dbraw/zinc/26/40/92/993264092.db2.gz CCPXAPNTZCAWAP-LJQANCHMSA-N 1 0 412.534 3.693 20 30 HHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](CC)CN1C(C)=O ZINC000472322940 993333517 /nfs/dbraw/zinc/33/35/17/993333517.db2.gz GWTSQGPLWTXSLW-IAGOWNOFSA-N 1 0 416.591 3.548 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000472746205 993678052 /nfs/dbraw/zinc/67/80/52/993678052.db2.gz FFTMYHZOUHTGSP-ZWKOTPCHSA-N 1 0 404.580 3.903 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000472746169 993678500 /nfs/dbraw/zinc/67/85/00/993678500.db2.gz FFTMYHZOUHTGSP-MSOLQXFVSA-N 1 0 404.580 3.903 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000472871886 993798521 /nfs/dbraw/zinc/79/85/21/993798521.db2.gz QOFWFVLMFKKVKM-UHFFFAOYSA-N 1 0 403.526 3.663 20 30 HHEDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC#Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000481179403 994009566 /nfs/dbraw/zinc/00/95/66/994009566.db2.gz INQMKZKVWCYQNT-UHFFFAOYSA-N 1 0 409.877 3.688 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473513623 994366484 /nfs/dbraw/zinc/36/64/84/994366484.db2.gz OLIZQFUSRVAMOK-UHFFFAOYSA-N 1 0 412.452 3.795 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C#N ZINC000473563212 994429362 /nfs/dbraw/zinc/42/93/62/994429362.db2.gz UPFLTAHVUQAZII-KDURUIRLSA-N 1 0 418.566 3.757 20 30 HHEDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481672534 994532214 /nfs/dbraw/zinc/53/22/14/994532214.db2.gz ZXWXOQVLCABDGU-QHCPKHFHSA-N 1 0 411.571 3.943 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000473670795 994559784 /nfs/dbraw/zinc/55/97/84/994559784.db2.gz NTOOVEVHJMQCGN-UHFFFAOYSA-N 1 0 421.545 3.888 20 30 HHEDRO CC(C)n1nc2c(c1NC(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000473816921 994744187 /nfs/dbraw/zinc/74/41/87/994744187.db2.gz WWLZXWLVSWGURP-UHFFFAOYSA-N 1 0 406.534 3.564 20 30 HHEDRO COc1ccc([C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000481911863 994784018 /nfs/dbraw/zinc/78/40/18/994784018.db2.gz STYSYYNMXMLZSA-DQEYMECFSA-N 1 0 405.542 3.997 20 30 HHEDRO C=CCNc1ncc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)s1 ZINC000473912516 994876993 /nfs/dbraw/zinc/87/69/93/994876993.db2.gz OGNGCLBTRDUQPD-HNNXBMFYSA-N 1 0 417.554 3.513 20 30 HHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000482009539 994914794 /nfs/dbraw/zinc/91/47/94/994914794.db2.gz UTXHBPSKMLZLRF-MGPUTAFESA-N 1 0 401.432 3.899 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)CSCc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482018006 994927538 /nfs/dbraw/zinc/92/75/38/994927538.db2.gz KMCWLENFZYSKCF-VWNXMTODSA-N 1 0 421.566 3.894 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000473988205 994975796 /nfs/dbraw/zinc/97/57/96/994975796.db2.gz SFQNLMNGZDKXOF-NZQKXSOJSA-N 1 0 409.530 3.646 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000482097092 995040266 /nfs/dbraw/zinc/04/02/66/995040266.db2.gz BUSRCUWFXDGDQF-XZOQPEGZSA-N 1 0 401.510 3.693 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474215771 995210026 /nfs/dbraw/zinc/21/00/26/995210026.db2.gz MUUJONOSNKYENQ-SFHVURJKSA-N 1 0 408.571 3.643 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000474218917 995213809 /nfs/dbraw/zinc/21/38/09/995213809.db2.gz OZOKBKNMACJDFD-UHFFFAOYSA-N 1 0 415.481 3.652 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000474221841 995216467 /nfs/dbraw/zinc/21/64/67/995216467.db2.gz AASABJOGOQEOHP-QHCPKHFHSA-N 1 0 420.557 3.538 20 30 HHEDRO C[C@@H]1CN(Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000482547734 995555664 /nfs/dbraw/zinc/55/56/64/995555664.db2.gz GBZWVBZRBDUWKO-RTBURBONSA-N 1 0 418.541 3.656 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)c1ccc(F)c(F)c1 ZINC000474653597 995598376 /nfs/dbraw/zinc/59/83/76/995598376.db2.gz SWOTWKMSFRCWTR-HXUWFJFHSA-N 1 0 402.445 3.517 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000482932841 995862186 /nfs/dbraw/zinc/86/21/86/995862186.db2.gz PBQCEYILOWDSAG-GGPKGHCWSA-N 1 0 415.607 3.571 20 30 HHEDRO CN(C(=O)NCCSCc1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475014312 995870485 /nfs/dbraw/zinc/87/04/85/995870485.db2.gz JXSGDZNKGABVRZ-JOCHJYFZSA-N 1 0 408.571 3.707 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)c1C#N ZINC000483132877 995994309 /nfs/dbraw/zinc/99/43/09/995994309.db2.gz GXSVEBYXOGEXSB-MRXNPFEDSA-N 1 0 400.567 3.903 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)c1C#N ZINC000483136620 995996475 /nfs/dbraw/zinc/99/64/75/995996475.db2.gz SCLJUARTEARTQS-OAHLLOKOSA-N 1 0 412.509 3.526 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000483301945 996088067 /nfs/dbraw/zinc/08/80/67/996088067.db2.gz YTXASTIAZZWNNZ-JOCHJYFZSA-N 1 0 420.548 3.782 20 30 HHEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)C1 ZINC000475425194 996129703 /nfs/dbraw/zinc/12/97/03/996129703.db2.gz WVFHZSAHNSNSCJ-HOJAQTOUSA-N 1 0 405.473 3.705 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483409518 996159730 /nfs/dbraw/zinc/15/97/30/996159730.db2.gz UFJRPYSXNLJJIP-GOTSBHOMSA-N 1 0 421.566 3.789 20 30 HHEDRO Cc1cccc(CC2(O)CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000475484630 996170421 /nfs/dbraw/zinc/17/04/21/996170421.db2.gz DXJWSVQDGIFKSX-UHFFFAOYSA-N 1 0 400.526 3.837 20 30 HHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000475551602 996215649 /nfs/dbraw/zinc/21/56/49/996215649.db2.gz KRLDIMCJYLEFQR-UHFFFAOYSA-N 1 0 403.935 3.676 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000475600464 996240516 /nfs/dbraw/zinc/24/05/16/996240516.db2.gz KMFFZTPMMRGQHY-QGZVFWFLSA-N 1 0 404.580 3.949 20 30 HHEDRO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000475634294 996265489 /nfs/dbraw/zinc/26/54/89/996265489.db2.gz LUZSFAPTOMPYNU-UHFFFAOYSA-N 1 0 414.513 3.792 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475655716 996280965 /nfs/dbraw/zinc/28/09/65/996280965.db2.gz KQSHNPXRUKTVHD-NTKDMRAZSA-N 1 0 423.582 3.946 20 30 HHEDRO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(Cc2ccccc2)no1 ZINC000483634452 996299425 /nfs/dbraw/zinc/29/94/25/996299425.db2.gz CUEIXBITZZUBLZ-SFHVURJKSA-N 1 0 401.514 3.847 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000475743205 996342154 /nfs/dbraw/zinc/34/21/54/996342154.db2.gz XIRDZFFRMFPUSH-SANMLTNESA-N 1 0 416.569 3.921 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[N@H+](Cc2cccc(Br)c2)CC2CC2)c1 ZINC000475745744 996344080 /nfs/dbraw/zinc/34/40/80/996344080.db2.gz WSTDIGSKQHTMCJ-UHFFFAOYSA-N 1 0 412.331 3.849 20 30 HHEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000483751439 996365263 /nfs/dbraw/zinc/36/52/63/996365263.db2.gz WQLYRFOJRLUKDV-UHFFFAOYSA-N 1 0 401.551 3.639 20 30 HHEDRO Cc1ccc(-c2ccc(Cl)cc2NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)o1 ZINC000484321123 996701660 /nfs/dbraw/zinc/70/16/60/996701660.db2.gz KSCWTJKMUGAMDX-UHFFFAOYSA-N 1 0 416.909 3.541 20 30 HHEDRO CC(C)[C@](C)([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Br)cc1 ZINC000484333556 996710163 /nfs/dbraw/zinc/71/01/63/996710163.db2.gz UCIWSRLJBKSFTJ-IBGZPJMESA-N 1 0 405.340 3.566 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000484358804 996727786 /nfs/dbraw/zinc/72/77/86/996727786.db2.gz UNSXFSKDBLWCPM-UHFFFAOYSA-N 1 0 415.537 3.548 20 30 HHEDRO C[NH+](C)Cc1cccc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000476296015 996737191 /nfs/dbraw/zinc/73/71/91/996737191.db2.gz VIVSVQMRFOASNV-UHFFFAOYSA-N 1 0 406.530 3.809 20 30 HHEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)c2C1 ZINC000476340041 996765421 /nfs/dbraw/zinc/76/54/21/996765421.db2.gz ZYZXGUBWWITJAN-HSZRJFAPSA-N 1 0 416.525 3.660 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1C#N ZINC000484612316 996944460 /nfs/dbraw/zinc/94/44/60/996944460.db2.gz GAEVUNIDYOFFPA-SFTDATJTSA-N 1 0 420.517 3.526 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1O2 ZINC000484721374 997061137 /nfs/dbraw/zinc/06/11/37/997061137.db2.gz QVPVCLVVQVCARE-FQEVSTJZSA-N 1 0 407.539 3.755 20 30 HHEDRO CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C[NH+]1CCCC1 ZINC000484830476 997195721 /nfs/dbraw/zinc/19/57/21/997195721.db2.gz NFHPUSWIPSBPHH-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000484837762 997204207 /nfs/dbraw/zinc/20/42/07/997204207.db2.gz OBHSLJZOGXFKGY-UHFFFAOYSA-N 1 0 410.566 3.611 20 30 HHEDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068945 997716231 /nfs/dbraw/zinc/71/62/31/997716231.db2.gz KERBISIYRRYXMW-SUMNFNSASA-N 1 0 415.584 3.867 20 30 HHEDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076874 997729427 /nfs/dbraw/zinc/72/94/27/997729427.db2.gz POYMVKJXRIYFRM-ASHKIFAZSA-N 1 0 403.935 3.971 20 30 HHEDRO Cc1oc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485330550 997744815 /nfs/dbraw/zinc/74/48/15/997744815.db2.gz LYFSHYHRGKSAKF-IRLDBZIGSA-N 1 0 406.530 3.693 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000477099296 997753700 /nfs/dbraw/zinc/75/37/00/997753700.db2.gz KAWVRDXFXRAZBT-HNNXBMFYSA-N 1 0 411.518 3.502 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000477157428 997817342 /nfs/dbraw/zinc/81/73/42/997817342.db2.gz FWHXHJHONDRRLM-IJEWVQPXSA-N 1 0 415.481 3.603 20 30 HHEDRO COc1c(Br)cccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485415484 997849063 /nfs/dbraw/zinc/84/90/63/997849063.db2.gz QQEFDDMUQXXSJV-GOSISDBHSA-N 1 0 414.303 3.615 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000477442552 998142430 /nfs/dbraw/zinc/14/24/30/998142430.db2.gz ZBKSCRMWYRSVML-OAQYLSRUSA-N 1 0 408.498 3.862 20 30 HHEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000485701463 998165956 /nfs/dbraw/zinc/16/59/56/998165956.db2.gz NLUJSZASLJAMGL-SFHVURJKSA-N 1 0 400.544 3.984 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000477491663 998213025 /nfs/dbraw/zinc/21/30/25/998213025.db2.gz AYGVBVJDHQMLFY-LJQANCHMSA-N 1 0 400.526 3.956 20 30 HHEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000485806350 998274634 /nfs/dbraw/zinc/27/46/34/998274634.db2.gz XDCVSIVVXFOWCN-IAQYHMDHSA-N 1 0 408.449 3.761 20 30 HHEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000485833886 998299883 /nfs/dbraw/zinc/29/98/83/998299883.db2.gz NRDYVRRSFNNPPH-SFHVURJKSA-N 1 0 413.543 3.560 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(c2ccsc2)CC1 ZINC000485909980 998361424 /nfs/dbraw/zinc/36/14/24/998361424.db2.gz XJLAGDOLKYNLID-UHFFFAOYSA-N 1 0 414.575 3.893 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000485967129 998408441 /nfs/dbraw/zinc/40/84/41/998408441.db2.gz OBOCVUSDMYLDBH-SFHVURJKSA-N 1 0 412.559 3.849 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000485967127 998408688 /nfs/dbraw/zinc/40/86/88/998408688.db2.gz OBOCVUSDMYLDBH-GOSISDBHSA-N 1 0 412.559 3.849 20 30 HHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000477862322 998613128 /nfs/dbraw/zinc/61/31/28/998613128.db2.gz YLMZOMKRMLVLSY-UHFFFAOYSA-N 1 0 407.436 3.813 20 30 HHEDRO N#CCCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000486299100 998701720 /nfs/dbraw/zinc/70/17/20/998701720.db2.gz NYMXLZNZSDIIJI-UHFFFAOYSA-N 1 0 405.498 3.617 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3cccc(Br)c3)CCC2)cc1 ZINC000478030139 998723147 /nfs/dbraw/zinc/72/31/47/998723147.db2.gz XBAVKFXEWKVHNS-UHFFFAOYSA-N 1 0 419.344 3.763 20 30 HHEDRO Cn1cc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000478247338 998843803 /nfs/dbraw/zinc/84/38/03/998843803.db2.gz DHUIHUHITWQAHX-UHFFFAOYSA-N 1 0 402.285 3.829 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000478273032 998857030 /nfs/dbraw/zinc/85/70/30/998857030.db2.gz MIVONEUSJVEYII-ZWKOTPCHSA-N 1 0 424.570 3.656 20 30 HHEDRO C=CCc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc(OC)c1OC ZINC000478316425 998883620 /nfs/dbraw/zinc/88/36/20/998883620.db2.gz RIRIAQQBGPIMQL-UHFFFAOYSA-N 1 0 424.545 3.610 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c(Cl)c1 ZINC000486826347 998958214 /nfs/dbraw/zinc/95/82/14/998958214.db2.gz PBEVUOCVAQOIPF-IIBYNOLFSA-N 1 0 406.877 3.605 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000478452530 998967794 /nfs/dbraw/zinc/96/77/94/998967794.db2.gz QSZQSNPURFQNNW-UHFFFAOYSA-N 1 0 414.465 3.717 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000478492954 998992192 /nfs/dbraw/zinc/99/21/92/998992192.db2.gz VWHFQVMCSUSIDZ-UHFFFAOYSA-N 1 0 421.419 3.636 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Br)c(Cl)s3)C2=O)cc1 ZINC000486903082 998998970 /nfs/dbraw/zinc/99/89/70/998998970.db2.gz MMAIRJOUYVIKLK-HNNXBMFYSA-N 1 0 424.751 3.926 20 30 HHEDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1C(C)(C)C#N ZINC000487374510 999151550 /nfs/dbraw/zinc/15/15/50/999151550.db2.gz XWNUGXNZKVTFJF-UHFFFAOYSA-N 1 0 400.544 3.792 20 30 HHEDRO CCOc1cc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)nc2nc(C(F)(F)F)nn21 ZINC000478950742 999218506 /nfs/dbraw/zinc/21/85/06/999218506.db2.gz CMAUTGVOXKQVIA-CYBMUJFWSA-N 1 0 418.423 3.997 20 30 HHEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)[NH+](C)C)c1 ZINC000487880943 999302752 /nfs/dbraw/zinc/30/27/52/999302752.db2.gz MZPHCJHYUAFORB-SFHVURJKSA-N 1 0 417.307 3.754 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)[NH+](C)C)c1 ZINC000487880932 999302869 /nfs/dbraw/zinc/30/28/69/999302869.db2.gz MZPHCJHYUAFORB-GOSISDBHSA-N 1 0 417.307 3.754 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000479197903 999322261 /nfs/dbraw/zinc/32/22/61/999322261.db2.gz ZGNVSTZAXDYZRQ-FCHUYYIVSA-N 1 0 419.525 3.848 20 30 HHEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1C ZINC000479218969 999330583 /nfs/dbraw/zinc/33/05/83/999330583.db2.gz QGGXPBNTDFHJNU-UHFFFAOYSA-N 1 0 413.525 3.777 20 30 HHEDRO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479240582 999340831 /nfs/dbraw/zinc/34/08/31/999340831.db2.gz HFKRGRFVQPXFDO-GCJKJVERSA-N 1 0 416.525 3.569 20 30 HHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2cnn(C(C)C)c2n1 ZINC000479243459 999342619 /nfs/dbraw/zinc/34/26/19/999342619.db2.gz LLRPNWCVDCBHOF-UHFFFAOYSA-N 1 0 416.529 3.609 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)cc1F ZINC000488007648 999345812 /nfs/dbraw/zinc/34/58/12/999345812.db2.gz PFWNIGZWKOKIKI-UHFFFAOYSA-N 1 0 405.271 3.843 20 30 HHEDRO CCCOc1ccc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479274174 999359289 /nfs/dbraw/zinc/35/92/89/999359289.db2.gz ITZVJQIGNGXQKB-UHFFFAOYSA-N 1 0 407.514 3.529 20 30 HHEDRO N#CC1(NC(=O)c2ccc(Br)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000479283850 999364495 /nfs/dbraw/zinc/36/44/95/999364495.db2.gz SBULIJNYRRFJSZ-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO N#CC1(NC(=O)CSc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479284879 999364925 /nfs/dbraw/zinc/36/49/25/999364925.db2.gz NEUAEQZAJWAERY-UHFFFAOYSA-N 1 0 401.482 3.731 20 30 HHEDRO N#CC1(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479284817 999364960 /nfs/dbraw/zinc/36/49/60/999364960.db2.gz NACSPTBHUDKJIV-HSZRJFAPSA-N 1 0 419.525 3.533 20 30 HHEDRO N#CC1(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479303055 999375135 /nfs/dbraw/zinc/37/51/35/999375135.db2.gz AJVXBSQJPLKIDU-HSZRJFAPSA-N 1 0 419.525 3.533 20 30 HHEDRO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1C#N ZINC000488197748 999411506 /nfs/dbraw/zinc/41/15/06/999411506.db2.gz UABMCWIZTVTYPU-QGZVFWFLSA-N 1 0 413.319 3.875 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCSC[C@@H](C)C2)c1C#N ZINC000488255778 999412046 /nfs/dbraw/zinc/41/20/46/999412046.db2.gz UCAXEOKPKAAXRY-HNNXBMFYSA-N 1 0 400.548 3.631 20 30 HHEDRO C=CCC[C@@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000488364115 999458240 /nfs/dbraw/zinc/45/82/40/999458240.db2.gz GXODVOGKIHSCMD-DNQXCXABSA-N 1 0 419.569 3.750 20 30 HHEDRO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000488389541 999471080 /nfs/dbraw/zinc/47/10/80/999471080.db2.gz ZLDMDZNZHGMLEG-GOTSBHOMSA-N 1 0 412.578 3.759 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)N(C)Cc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000488400996 999475551 /nfs/dbraw/zinc/47/55/51/999475551.db2.gz FQWPQDJIYUQYLS-GOTSBHOMSA-N 1 0 404.514 3.686 20 30 HHEDRO CC1(C)[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1OCc1ccccc1 ZINC000488465475 999495768 /nfs/dbraw/zinc/49/57/68/999495768.db2.gz SWCCMQNBTIPGEL-ZRBLBEILSA-N 1 0 403.526 3.633 20 30 HHEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488473036 999498895 /nfs/dbraw/zinc/49/88/95/999498895.db2.gz VWTWVFBETXBONR-IERDGZPVSA-N 1 0 413.468 3.871 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000488498059 999508242 /nfs/dbraw/zinc/50/82/42/999508242.db2.gz MXUDNYUCNMKHPL-FOIQADDNSA-N 1 0 417.431 3.951 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000488502089 999509819 /nfs/dbraw/zinc/50/98/19/999509819.db2.gz RYKFAFKBHOJKMJ-IFXJQAMLSA-N 1 0 403.404 3.909 20 30 HHEDRO C[C@H](C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488546078 999523445 /nfs/dbraw/zinc/52/34/45/999523445.db2.gz QFPCAGALZYQIFB-QRWLVFNGSA-N 1 0 412.331 3.815 20 30 HHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000479684521 999535912 /nfs/dbraw/zinc/53/59/12/999535912.db2.gz AWDUXZZBNBGYPU-DNQXCXABSA-N 1 0 407.558 3.675 20 30 HHEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488587729 999537159 /nfs/dbraw/zinc/53/71/59/999537159.db2.gz ZPVKJCQKNVPTOI-QHCPKHFHSA-N 1 0 413.525 3.758 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000488723050 999588621 /nfs/dbraw/zinc/58/86/21/999588621.db2.gz HFKQUMCNFBNOQN-GOSISDBHSA-N 1 0 420.532 3.748 20 30 HHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H](C)C1 ZINC000488915769 999646167 /nfs/dbraw/zinc/64/61/67/999646167.db2.gz KLAWMWFLXUZZTK-ANXNHCNISA-N 1 0 410.562 3.620 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000488922248 999648088 /nfs/dbraw/zinc/64/80/88/999648088.db2.gz VOSIXBTVEOKQJM-FQEVSTJZSA-N 1 0 403.526 3.803 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000480270203 999760302 /nfs/dbraw/zinc/76/03/02/999760302.db2.gz MXSLIZNTGCGNGZ-WMLDXEAASA-N 1 0 410.453 3.727 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000480555434 999825600 /nfs/dbraw/zinc/82/56/00/999825600.db2.gz PEHRSNGGXPOPAX-UHFFFAOYSA-N 1 0 420.582 3.563 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480624037 999843858 /nfs/dbraw/zinc/84/38/58/999843858.db2.gz PUTXZFRMAMOVBR-UWUFEASWSA-N 1 0 422.548 3.718 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480624034 999843883 /nfs/dbraw/zinc/84/38/83/999843883.db2.gz PUTXZFRMAMOVBR-JTJYXVOQSA-N 1 0 422.548 3.718 20 30 HHEDRO C=CCCCS(=O)(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000490057783 999886654 /nfs/dbraw/zinc/88/66/54/999886654.db2.gz TXPXSZDIOMLVPY-QHCPKHFHSA-N 1 0 413.587 3.844 20 30 HHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000490769782 1000003687 /nfs/dbraw/zinc/00/36/87/1000003687.db2.gz AAMUFGAZJTZEOH-UHFFFAOYSA-N 1 0 416.529 3.711 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491183471 1000052885 /nfs/dbraw/zinc/05/28/85/1000052885.db2.gz SGPIGZMQXUIYBX-UHFFFAOYSA-N 1 0 415.497 3.515 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491571083 1000084374 /nfs/dbraw/zinc/08/43/74/1000084374.db2.gz ZUUYWXAMFNBVSJ-TZIWHRDSSA-N 1 0 419.550 3.694 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000491583676 1000085916 /nfs/dbraw/zinc/08/59/16/1000085916.db2.gz LYQCFTGTQMPGGQ-MRXNPFEDSA-N 1 0 416.953 3.653 20 30 HHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@H]2C1 ZINC000492183098 1000114346 /nfs/dbraw/zinc/11/43/46/1000114346.db2.gz XZQWOULPRJSGHW-NQIIRXRSSA-N 1 0 408.477 3.834 20 30 HHEDRO Cn1cc([C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c2cccc(F)c2)cn1 ZINC000492249237 1000117853 /nfs/dbraw/zinc/11/78/53/1000117853.db2.gz CVUGOYOCYAPSBO-NZQKXSOJSA-N 1 0 407.468 3.918 20 30 HHEDRO COc1ccc(-c2noc([C@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000493890080 1000202682 /nfs/dbraw/zinc/20/26/82/1000202682.db2.gz ALARMXOHYNZXIT-SFHVURJKSA-N 1 0 417.513 3.886 20 30 HHEDRO C[C@H]1[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000494019531 1000271285 /nfs/dbraw/zinc/27/12/85/1000271285.db2.gz USNXDYYTSRKLLY-CVDCTZTESA-N 1 0 413.525 3.857 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)c1 ZINC000494046067 1000281832 /nfs/dbraw/zinc/28/18/32/1000281832.db2.gz DJFJYKIGGMVSNB-GOTSBHOMSA-N 1 0 420.513 3.850 20 30 HHEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c(OC)c1 ZINC000504993907 1000493872 /nfs/dbraw/zinc/49/38/72/1000493872.db2.gz IPXKMPCDCZDVOX-UHFFFAOYSA-N 1 0 408.502 3.624 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494475313 1000512578 /nfs/dbraw/zinc/51/25/78/1000512578.db2.gz SJEVTZCFVLYDPI-QWNAUFKNSA-N 1 0 405.489 3.704 20 30 HHEDRO C[NH+]1CCC(N(c2cccc(F)c2)S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000494496708 1000523993 /nfs/dbraw/zinc/52/39/93/1000523993.db2.gz PIGVZTVHXNFZFZ-UHFFFAOYSA-N 1 0 407.898 3.640 20 30 HHEDRO CN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC000505181474 1000601237 /nfs/dbraw/zinc/60/12/37/1000601237.db2.gz GBPHOTWEAIEFDO-JOCHJYFZSA-N 1 0 410.949 3.597 20 30 HHEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494753312 1000635552 /nfs/dbraw/zinc/63/55/52/1000635552.db2.gz XVOZLSQVBPLUDL-DBXWQHBBSA-N 1 0 412.578 3.867 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000505262411 1000653826 /nfs/dbraw/zinc/65/38/26/1000653826.db2.gz SVHYVEDJJLLLNF-UHFFFAOYSA-N 1 0 405.502 3.502 20 30 HHEDRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000494787053 1000655946 /nfs/dbraw/zinc/65/59/46/1000655946.db2.gz YFUODYLKURIGME-QFBILLFUSA-N 1 0 410.562 3.619 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000505326321 1000703314 /nfs/dbraw/zinc/70/33/14/1000703314.db2.gz TVDRISOTRDFWOX-MSOLQXFVSA-N 1 0 402.564 3.657 20 30 HHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@@H](C)C(C)C ZINC000495006381 1000775088 /nfs/dbraw/zinc/77/50/88/1000775088.db2.gz REYZYRUFXARHMU-ROUUACIJSA-N 1 0 400.567 3.722 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1C#N ZINC000495022759 1000784491 /nfs/dbraw/zinc/78/44/91/1000784491.db2.gz YIDIWMVWQOSVNG-GOSISDBHSA-N 1 0 420.517 3.549 20 30 HHEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C2)C1 ZINC000505523287 1000867312 /nfs/dbraw/zinc/86/73/12/1000867312.db2.gz ZSIRKTXESLOSRV-QHCPKHFHSA-N 1 0 414.981 3.762 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000505538947 1000887441 /nfs/dbraw/zinc/88/74/41/1000887441.db2.gz RLXJNDKTKMSMRP-XMMPIXPASA-N 1 0 405.546 3.639 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000505593844 1000925749 /nfs/dbraw/zinc/92/57/49/1000925749.db2.gz OIFQUBTXIJIKJF-LEWJYISDSA-N 1 0 413.468 3.584 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000495252386 1000938068 /nfs/dbraw/zinc/93/80/68/1000938068.db2.gz ULGVBCAXBGTZNF-UHFFFAOYSA-N 1 0 422.920 3.993 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1)C(C)C ZINC000505658011 1000959544 /nfs/dbraw/zinc/95/95/44/1000959544.db2.gz OHDYDCVDYKOPIQ-HSZRJFAPSA-N 1 0 418.541 3.714 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c2)CC1 ZINC000495365902 1000986299 /nfs/dbraw/zinc/98/62/99/1000986299.db2.gz PQWNELNCJCMHQT-UHFFFAOYSA-N 1 0 417.435 3.755 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000505789201 1001024569 /nfs/dbraw/zinc/02/45/69/1001024569.db2.gz ZZLYZGCADWECMH-UUOWRZLLSA-N 1 0 413.562 3.796 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4ccnn4C)C3)sc2C1 ZINC000505848812 1001059287 /nfs/dbraw/zinc/05/92/87/1001059287.db2.gz ZTYFLCASZGDHHS-JKSUJKDBSA-N 1 0 411.575 3.686 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCCN1C(=O)c1cccs1)C(C)C ZINC000495965751 1001103154 /nfs/dbraw/zinc/10/31/54/1001103154.db2.gz MTNSZFUIGIUBSG-RTBURBONSA-N 1 0 403.592 3.558 20 30 HHEDRO C[NH+](C)C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000496202911 1001138941 /nfs/dbraw/zinc/13/89/41/1001138941.db2.gz JPLAAMRYKRMHON-HRTMPFAESA-N 1 0 424.520 3.989 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)cc1 ZINC000496202924 1001138965 /nfs/dbraw/zinc/13/89/65/1001138965.db2.gz JPLAAMRYKRMHON-LZBANZJXSA-N 1 0 424.520 3.989 20 30 HHEDRO C=CCc1cc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc(OC)c1O ZINC000505992530 1001148822 /nfs/dbraw/zinc/14/88/22/1001148822.db2.gz NLGDVQLOSQBDEC-IBGZPJMESA-N 1 0 408.477 3.632 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[NH+](C)C)cc1 ZINC000506031611 1001176565 /nfs/dbraw/zinc/17/65/65/1001176565.db2.gz QPFLAWOXGMFREL-XMMPIXPASA-N 1 0 422.548 3.895 20 30 HHEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000506172585 1001259425 /nfs/dbraw/zinc/25/94/25/1001259425.db2.gz JDWATLRYAXIFNP-UHFFFAOYSA-N 1 0 421.541 3.535 20 30 HHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC(F)F)c1 ZINC000506294537 1001335333 /nfs/dbraw/zinc/33/53/33/1001335333.db2.gz JSSFRKUQUXMRAW-UHFFFAOYSA-N 1 0 401.457 3.876 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000497561632 1001435986 /nfs/dbraw/zinc/43/59/86/1001435986.db2.gz KMYJMNITFALPBU-UHFFFAOYSA-N 1 0 415.481 3.510 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000506503083 1001442396 /nfs/dbraw/zinc/44/23/96/1001442396.db2.gz HCJLFHMQRFSSER-UHFFFAOYSA-N 1 0 416.569 3.734 20 30 HHEDRO C=CCc1cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc(OC)c1OC ZINC000497622568 1001462280 /nfs/dbraw/zinc/46/22/80/1001462280.db2.gz LCOIZMFGTOXIJP-UHFFFAOYSA-N 1 0 410.514 3.641 20 30 HHEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000506722184 1001504933 /nfs/dbraw/zinc/50/49/33/1001504933.db2.gz PSASHXLNJINNJS-UHFFFAOYSA-N 1 0 421.497 3.949 20 30 HHEDRO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000506919255 1001592928 /nfs/dbraw/zinc/59/29/28/1001592928.db2.gz VYTKZYXGJKZFNC-UHFFFAOYSA-N 1 0 405.542 3.980 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(-c2cccc3cnccc32)c1C)C(C)C ZINC000498363615 1001796674 /nfs/dbraw/zinc/79/66/74/1001796674.db2.gz AGBXZDSHPIBBRC-JOCHJYFZSA-N 1 0 418.545 3.552 20 30 HHEDRO Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083466 1001797113 /nfs/dbraw/zinc/79/71/13/1001797113.db2.gz HOLCASNBBLLIBY-IFMALSPDSA-N 1 0 419.916 3.881 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498377828 1001808806 /nfs/dbraw/zinc/80/88/06/1001808806.db2.gz ODDIYQWTJWIHTM-VQIMIIECSA-N 1 0 402.420 3.785 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000507241101 1001926721 /nfs/dbraw/zinc/92/67/21/1001926721.db2.gz XATMSMDPPJMWFO-WOJBJXKFSA-N 1 0 413.562 3.693 20 30 HHEDRO CCCC[N@H+](C)CC1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000498521804 1001943684 /nfs/dbraw/zinc/94/36/84/1001943684.db2.gz AVPLGUCTDFUJNF-UHFFFAOYSA-N 1 0 402.608 3.941 20 30 HHEDRO N#Cc1ccccc1N1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000507279678 1001964038 /nfs/dbraw/zinc/96/40/38/1001964038.db2.gz OWJZRBDAFPHBDC-UHFFFAOYSA-N 1 0 424.548 3.976 20 30 HHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000507315141 1001994154 /nfs/dbraw/zinc/99/41/54/1001994154.db2.gz FQZFCLPXVCLXNL-UHFFFAOYSA-N 1 0 422.367 3.524 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000507382659 1002037852 /nfs/dbraw/zinc/03/78/52/1002037852.db2.gz WXMAXRFKIKXOAX-MSOLQXFVSA-N 1 0 405.608 3.524 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1Cl ZINC000507445212 1002074975 /nfs/dbraw/zinc/07/49/75/1002074975.db2.gz BEPGBHWHKYBXQY-YCRPNKLZSA-N 1 0 420.904 3.639 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507451815 1002078891 /nfs/dbraw/zinc/07/88/91/1002078891.db2.gz RNGSNTTVHRCCAZ-HDICACEKSA-N 1 0 414.569 3.786 20 30 HHEDRO C[C@@H]1CCC[C@@](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)([NH+](C)C)C1 ZINC000507555348 1002161080 /nfs/dbraw/zinc/16/10/80/1002161080.db2.gz ZDYLJHYYMNEMSM-UZUQRXQVSA-N 1 0 400.542 3.540 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000507642478 1002243199 /nfs/dbraw/zinc/24/31/99/1002243199.db2.gz CMGFYFCBAGQPPB-HYDWOIJQSA-N 1 0 403.570 3.863 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507847876 1002386577 /nfs/dbraw/zinc/38/65/77/1002386577.db2.gz KSNSGNBOFUDWME-OAQYLSRUSA-N 1 0 422.525 3.578 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000507861130 1002397319 /nfs/dbraw/zinc/39/73/19/1002397319.db2.gz RDKXGGILZSBVID-XMMPIXPASA-N 1 0 403.526 3.985 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000507874690 1002408066 /nfs/dbraw/zinc/40/80/66/1002408066.db2.gz QWVRPBGTXGUBLG-FQEVSTJZSA-N 1 0 405.477 3.871 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507929979 1002464139 /nfs/dbraw/zinc/46/41/39/1002464139.db2.gz KDVNKXLFNLDFKL-NRFANRHFSA-N 1 0 424.511 3.656 20 30 HHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000507977963 1002507393 /nfs/dbraw/zinc/50/73/93/1002507393.db2.gz BPTRYRHLWVRBSH-SFHVURJKSA-N 1 0 416.591 3.744 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1OCCCC#N ZINC000507987378 1002516462 /nfs/dbraw/zinc/51/64/62/1002516462.db2.gz YAJIPOKQLYGGNH-HXUWFJFHSA-N 1 0 422.529 3.932 20 30 HHEDRO COCC1(C#N)CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000499194386 1002583845 /nfs/dbraw/zinc/58/38/45/1002583845.db2.gz VHQRAAYCOOLYMH-PZJWPPBQSA-N 1 0 400.567 3.714 20 30 HHEDRO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000499570468 1002949349 /nfs/dbraw/zinc/94/93/49/1002949349.db2.gz ACQGZCLPMGDQLY-SZPZYZBQSA-N 1 0 416.610 3.582 20 30 HHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000508508114 1002990373 /nfs/dbraw/zinc/99/03/73/1002990373.db2.gz VOIBMYPTXCYAEU-HNNXBMFYSA-N 1 0 422.360 3.596 20 30 HHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508738539 1003177039 /nfs/dbraw/zinc/17/70/39/1003177039.db2.gz GUVVDNOSQSXNEA-KNQAVFIVSA-N 1 0 407.562 3.805 20 30 HHEDRO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508796567 1003224911 /nfs/dbraw/zinc/22/49/11/1003224911.db2.gz WRACGEBNCJNEEI-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508796712 1003225113 /nfs/dbraw/zinc/22/51/13/1003225113.db2.gz XMPWXQMJJXYARJ-SFHVURJKSA-N 1 0 413.591 3.830 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000508801577 1003229573 /nfs/dbraw/zinc/22/95/73/1003229573.db2.gz LZGFCRXNXZTUIU-IRLDBZIGSA-N 1 0 409.578 3.555 20 30 HHEDRO C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508803778 1003231148 /nfs/dbraw/zinc/23/11/48/1003231148.db2.gz YXCQMDQQFFHWLN-UHFFFAOYSA-N 1 0 420.561 3.551 20 30 HHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508812339 1003237764 /nfs/dbraw/zinc/23/77/64/1003237764.db2.gz KQACAKUVZNHJFC-WOJBJXKFSA-N 1 0 409.578 3.765 20 30 HHEDRO C=CCn1c(COc2ccccc2OCC)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508865836 1003285653 /nfs/dbraw/zinc/28/56/53/1003285653.db2.gz WVNLSAYQLDWQKJ-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000499998210 1003316074 /nfs/dbraw/zinc/31/60/74/1003316074.db2.gz GXDMTNZQMOTGIL-OXQOHEQNSA-N 1 0 424.932 3.834 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508897581 1003328869 /nfs/dbraw/zinc/32/88/69/1003328869.db2.gz NYBJOUNZBRIIQQ-WMZHIEFXSA-N 1 0 408.546 3.716 20 30 HHEDRO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500008720 1003333326 /nfs/dbraw/zinc/33/33/26/1003333326.db2.gz VDJFVOVVYBZXHS-GHTZIAJQSA-N 1 0 407.514 3.630 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000508908845 1003349048 /nfs/dbraw/zinc/34/90/48/1003349048.db2.gz WDOVGKCYYXMUKT-UGKGYDQZSA-N 1 0 409.578 3.696 20 30 HHEDRO C=CCc1cc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc(OC)c1OC ZINC000500040172 1003367833 /nfs/dbraw/zinc/36/78/33/1003367833.db2.gz OEVAIBGFZGEBDV-UHFFFAOYSA-N 1 0 423.557 3.606 20 30 HHEDRO C=CCn1c(CCC(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000508939867 1003390267 /nfs/dbraw/zinc/39/02/67/1003390267.db2.gz VKYZXINZJVLZJV-SIKLNZKXSA-N 1 0 413.614 3.696 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000508946645 1003401035 /nfs/dbraw/zinc/40/10/35/1003401035.db2.gz AZGRCPOITNQALT-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000508967294 1003435683 /nfs/dbraw/zinc/43/56/83/1003435683.db2.gz QOMDLKBQBVAWCC-UHFFFAOYSA-N 1 0 405.546 3.538 20 30 HHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000508975543 1003446923 /nfs/dbraw/zinc/44/69/23/1003446923.db2.gz GTFSDHUKQCCUHL-IBGZPJMESA-N 1 0 420.513 3.588 20 30 HHEDRO C=CCn1c(N2CCC[C@@H]([NH+]3CCCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000509000233 1003472070 /nfs/dbraw/zinc/47/20/70/1003472070.db2.gz STNORUZVCOOLIK-QGZVFWFLSA-N 1 0 403.477 3.657 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000500169320 1003521783 /nfs/dbraw/zinc/52/17/83/1003521783.db2.gz DVZSSAPOUHTHFZ-UHFFFAOYSA-N 1 0 412.481 3.942 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000509081836 1003539461 /nfs/dbraw/zinc/53/94/61/1003539461.db2.gz UVQSWSZOXIGKFM-SQJMNOBHSA-N 1 0 406.526 3.857 20 30 HHEDRO N#Cc1csc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000509374707 1003802440 /nfs/dbraw/zinc/80/24/40/1003802440.db2.gz SYILUHHRJOUFCH-ZDUSSCGKSA-N 1 0 405.321 3.628 20 30 HHEDRO COc1ccc(OCCC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000500610335 1003827778 /nfs/dbraw/zinc/82/77/78/1003827778.db2.gz ZXIDFRWGOHTCNT-UHFFFAOYSA-N 1 0 402.498 3.706 20 30 HHEDRO N#Cc1ccc(F)c(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000500655082 1003867893 /nfs/dbraw/zinc/86/78/93/1003867893.db2.gz WOYLBMCYKRLYNT-UHFFFAOYSA-N 1 0 415.534 3.693 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511971626 1003928070 /nfs/dbraw/zinc/92/80/70/1003928070.db2.gz QASNZENQJFIWMN-UHFFFAOYSA-N 1 0 411.527 3.972 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000500747821 1003935004 /nfs/dbraw/zinc/93/50/04/1003935004.db2.gz ZATIAPNPCOVAAX-FXAWDEMLSA-N 1 0 407.562 3.931 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000500820529 1003979475 /nfs/dbraw/zinc/97/94/75/1003979475.db2.gz FPWQAJITAQMIKE-UHFFFAOYSA-N 1 0 415.534 3.549 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000509641227 1003999898 /nfs/dbraw/zinc/99/98/98/1003999898.db2.gz OTVLVRVTQJBELR-FQEVSTJZSA-N 1 0 405.951 3.714 20 30 HHEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000512074816 1004003135 /nfs/dbraw/zinc/00/31/35/1004003135.db2.gz VCNHFQFBMSIJNW-VIZSFHNOSA-N 1 0 407.562 3.537 20 30 HHEDRO C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000500897292 1004035953 /nfs/dbraw/zinc/03/59/53/1004035953.db2.gz XECQZWYPRRAKNW-BFQWXXPVSA-N 1 0 421.545 3.634 20 30 HHEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1ccc(CO)o1 ZINC000512153230 1004061671 /nfs/dbraw/zinc/06/16/71/1004061671.db2.gz RFRDKNFJJQLQAC-UHFFFAOYSA-N 1 0 407.308 3.941 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512163500 1004069270 /nfs/dbraw/zinc/06/92/70/1004069270.db2.gz GLOXLUHKKZHZRA-FQEVSTJZSA-N 1 0 419.422 3.770 20 30 HHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000512194764 1004095752 /nfs/dbraw/zinc/09/57/52/1004095752.db2.gz JQGBMTVQLJOMRY-BRWVUGGUSA-N 1 0 400.592 3.632 20 30 HHEDRO N#CCCCOc1cccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000512263723 1004165454 /nfs/dbraw/zinc/16/54/54/1004165454.db2.gz SYGUAKOLFQFNJB-UHFFFAOYSA-N 1 0 409.505 3.785 20 30 HHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)ccn1 ZINC000512288956 1004190835 /nfs/dbraw/zinc/19/08/35/1004190835.db2.gz QCGPICJUKXQPEG-UHFFFAOYSA-N 1 0 402.454 3.938 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)ccc1OC ZINC000509957769 1004231266 /nfs/dbraw/zinc/23/12/66/1004231266.db2.gz LHTOSPZJYGDBSS-QFIPXVFZSA-N 1 0 408.542 3.973 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1OCCCC#N ZINC000509962001 1004233974 /nfs/dbraw/zinc/23/39/74/1004233974.db2.gz BJSYWDWVKYQVNT-QFIPXVFZSA-N 1 0 421.541 3.701 20 30 HHEDRO Cc1c(C#N)cccc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000509979024 1004244247 /nfs/dbraw/zinc/24/42/47/1004244247.db2.gz XQYHBEBHZNYSRQ-UHFFFAOYSA-N 1 0 416.447 3.567 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000512405358 1004274887 /nfs/dbraw/zinc/27/48/87/1004274887.db2.gz YVUMOZNDBYJFKZ-UHFFFAOYSA-N 1 0 400.511 3.880 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512446828 1004308759 /nfs/dbraw/zinc/30/87/59/1004308759.db2.gz HSWQNICFQMYXEH-KGLIPLIRSA-N 1 0 415.481 3.508 20 30 HHEDRO C[C@@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C[NH+]1CCCC1 ZINC000510234811 1004414069 /nfs/dbraw/zinc/41/40/69/1004414069.db2.gz FDQQSXGMGNLRSR-AWEZNQCLSA-N 1 0 416.576 3.555 20 30 HHEDRO CC(C)(C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc(F)cc(C#N)c1 ZINC000512696495 1004500626 /nfs/dbraw/zinc/50/06/26/1004500626.db2.gz ABRGEMQOAQHDGT-UHFFFAOYSA-N 1 0 409.505 3.766 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512696218 1004500906 /nfs/dbraw/zinc/50/09/06/1004500906.db2.gz ZPATYSQRIDXHEH-AZUAARDMSA-N 1 0 410.562 3.764 20 30 HHEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000512701696 1004504451 /nfs/dbraw/zinc/50/44/51/1004504451.db2.gz SWGUTFKCRPESQC-HSZRJFAPSA-N 1 0 406.574 3.681 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000510424926 1004557387 /nfs/dbraw/zinc/55/73/87/1004557387.db2.gz NFJWZFBVFDUQIH-NRFANRHFSA-N 1 0 401.514 3.847 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000512818081 1004577892 /nfs/dbraw/zinc/57/78/92/1004577892.db2.gz PJTLUKUUKPIUTR-UHFFFAOYSA-N 1 0 416.525 3.706 20 30 HHEDRO CCOC1CC2(C1)CC[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C2 ZINC000512824839 1004583351 /nfs/dbraw/zinc/58/33/51/1004583351.db2.gz YDKTVNFPYZXQGQ-UHFFFAOYSA-N 1 0 424.545 3.838 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501696929 1004615098 /nfs/dbraw/zinc/61/50/98/1004615098.db2.gz KMSXAYCDLJKFNK-NFBKMPQASA-N 1 0 411.590 3.608 20 30 HHEDRO C[C@@H]1CN(C2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)CCO1 ZINC000510507844 1004628822 /nfs/dbraw/zinc/62/88/22/1004628822.db2.gz LPWDXOFCHMGABI-HXUWFJFHSA-N 1 0 405.542 3.822 20 30 HHEDRO C=CCc1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc(OC)c1O ZINC000512884034 1004647411 /nfs/dbraw/zinc/64/74/11/1004647411.db2.gz BLTXABOUEHAKRT-HXUWFJFHSA-N 1 0 406.320 3.889 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501728321 1004651324 /nfs/dbraw/zinc/65/13/24/1004651324.db2.gz GGRZSGOVBRLAOK-QPPBQGQZSA-N 1 0 419.569 3.618 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000510536929 1004669211 /nfs/dbraw/zinc/66/92/11/1004669211.db2.gz ZHMBXPASRAQPRE-HDICACEKSA-N 1 0 422.529 3.888 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000512912067 1004682279 /nfs/dbraw/zinc/68/22/79/1004682279.db2.gz NADVQDDQGHHZOC-JOCHJYFZSA-N 1 0 406.530 3.937 20 30 HHEDRO N#Cc1cccc(F)c1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512916506 1004687892 /nfs/dbraw/zinc/68/78/92/1004687892.db2.gz JCEFLNVLUBYJPH-KRWDZBQOSA-N 1 0 405.395 3.649 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000513018834 1004761674 /nfs/dbraw/zinc/76/16/74/1004761674.db2.gz VDBPPRZROCAATD-IBGZPJMESA-N 1 0 422.529 3.690 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000513033767 1004769761 /nfs/dbraw/zinc/76/97/61/1004769761.db2.gz ZLPTZEJQJWPCGS-UHFFFAOYSA-N 1 0 400.910 3.745 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000513096215 1004803148 /nfs/dbraw/zinc/80/31/48/1004803148.db2.gz NOLUGBRNIKXDCA-UHFFFAOYSA-N 1 0 410.497 3.802 20 30 HHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513108155 1004811001 /nfs/dbraw/zinc/81/10/01/1004811001.db2.gz KRWFCPWCQARJJQ-MRXNPFEDSA-N 1 0 406.465 3.525 20 30 HHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513108588 1004811084 /nfs/dbraw/zinc/81/10/84/1004811084.db2.gz QDJVPYLYONGMSG-UHFFFAOYSA-N 1 0 400.502 3.715 20 30 HHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000510762058 1004837302 /nfs/dbraw/zinc/83/73/02/1004837302.db2.gz GZPAZJRVTRZOPO-RBSFLKMASA-N 1 0 412.456 3.987 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1)C1CC1 ZINC000510806348 1004864513 /nfs/dbraw/zinc/86/45/13/1004864513.db2.gz JANFWTNSYKDKAU-UHFFFAOYSA-N 1 0 402.542 3.895 20 30 HHEDRO N#CC1(CCC[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCOCC1 ZINC000510886582 1004911342 /nfs/dbraw/zinc/91/13/42/1004911342.db2.gz DPRWVIDORUXZFP-UHFFFAOYSA-N 1 0 421.339 3.841 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(c3ccccc3F)CC2)c(OC)c1 ZINC000513387052 1004937707 /nfs/dbraw/zinc/93/77/07/1004937707.db2.gz UVYFLMPNEKDCJH-HXUWFJFHSA-N 1 0 414.521 3.515 20 30 HHEDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177174 1004940613 /nfs/dbraw/zinc/94/06/13/1004940613.db2.gz WLBGWTDVICKKPD-HSZRJFAPSA-N 1 0 418.541 3.818 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000502187536 1004946621 /nfs/dbraw/zinc/94/66/21/1004946621.db2.gz RTXPUHMSLBKGCB-UHFFFAOYSA-N 1 0 410.905 3.891 20 30 HHEDRO Cc1oc(NC(=O)C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)c(C#N)c1C ZINC000502209797 1004959347 /nfs/dbraw/zinc/95/93/47/1004959347.db2.gz ACFZYTSXVRGGKO-UHFFFAOYSA-N 1 0 410.396 3.568 20 30 HHEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000513456023 1004974665 /nfs/dbraw/zinc/97/46/65/1004974665.db2.gz OOJXPKFJLVXUAQ-MRXNPFEDSA-N 1 0 409.711 3.846 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2=O)cc1 ZINC000511052896 1004998394 /nfs/dbraw/zinc/99/83/94/1004998394.db2.gz ZQUCHNMZLLXQBN-UXHICEINSA-N 1 0 410.315 3.699 20 30 HHEDRO N#Cc1ccc(C2=CCN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000502328067 1005014636 /nfs/dbraw/zinc/01/46/36/1005014636.db2.gz PFKAPRZZUVWZCE-UHFFFAOYSA-N 1 0 400.526 3.805 20 30 HHEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502341392 1005021588 /nfs/dbraw/zinc/02/15/88/1005021588.db2.gz MEKQUTDIWQPHKE-SFHVURJKSA-N 1 0 407.518 3.798 20 30 HHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502386860 1005050720 /nfs/dbraw/zinc/05/07/20/1005050720.db2.gz QTYWXDRZDXPVRQ-LJQANCHMSA-N 1 0 407.518 3.668 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)c2)c1 ZINC000511265141 1005097530 /nfs/dbraw/zinc/09/75/30/1005097530.db2.gz JQVKIABSESNSAQ-SFHVURJKSA-N 1 0 417.509 3.645 20 30 HHEDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549462 1005114560 /nfs/dbraw/zinc/11/45/60/1005114560.db2.gz YXFCJGKZKDWRNP-UHFFFAOYSA-N 1 0 406.442 3.593 20 30 HHEDRO CCC(CC)CN(CCC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000511393318 1005155199 /nfs/dbraw/zinc/15/51/99/1005155199.db2.gz BSWBBTHKJOAXIX-RPWUZVMVSA-N 1 0 421.589 3.814 20 30 HHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000514037322 1005237791 /nfs/dbraw/zinc/23/77/91/1005237791.db2.gz CRCVMMLSNHHXFT-NRFANRHFSA-N 1 0 406.505 3.893 20 30 HHEDRO C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000511729142 1005296018 /nfs/dbraw/zinc/29/60/18/1005296018.db2.gz DLWGWTGLUMRRBQ-FUHWJXTLSA-N 1 0 424.932 3.567 20 30 HHEDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1-c1cccc(C#N)c1 ZINC000503336160 1005392814 /nfs/dbraw/zinc/39/28/14/1005392814.db2.gz KVKDWZVUWJQJIX-PGRDOPGGSA-N 1 0 419.554 3.927 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503400653 1005408871 /nfs/dbraw/zinc/40/88/71/1005408871.db2.gz YOOCKKIUMZUZAR-YKSBVNFPSA-N 1 0 413.562 3.619 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000503606803 1005463952 /nfs/dbraw/zinc/46/39/52/1005463952.db2.gz GOEWLPATVNUEAQ-WWEVIYMKSA-N 1 0 413.562 3.665 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000503641387 1005471511 /nfs/dbraw/zinc/47/15/11/1005471511.db2.gz GWDMNMFNICPKAL-FQEVSTJZSA-N 1 0 413.562 3.695 20 30 HHEDRO CCN(CC)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000503698927 1005482574 /nfs/dbraw/zinc/48/25/74/1005482574.db2.gz JGYDLCGQEWQJOG-UHFFFAOYSA-N 1 0 421.545 3.636 20 30 HHEDRO Cc1cccc2[nH]cc(CCNC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000503779669 1005492486 /nfs/dbraw/zinc/49/24/86/1005492486.db2.gz PVJXNLNHFMXDGC-UHFFFAOYSA-N 1 0 415.541 3.808 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504073539 1005546526 /nfs/dbraw/zinc/54/65/26/1005546526.db2.gz BDTLDUFPWXTKJU-UUOWRZLLSA-N 1 0 413.562 3.939 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@H]1c1ccccc1 ZINC000534017641 1005987669 /nfs/dbraw/zinc/98/76/69/1005987669.db2.gz FIGOPZKKGLLNOD-NFBKMPQASA-N 1 0 401.466 3.905 20 30 HHEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531114857 1006001715 /nfs/dbraw/zinc/00/17/15/1006001715.db2.gz BMTHXQJMPLRGBK-HKUYNNGSSA-N 1 0 418.419 3.573 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534087509 1006061256 /nfs/dbraw/zinc/06/12/56/1006061256.db2.gz OGKOQDNLXAQNNE-RLLQIKCJSA-N 1 0 424.570 3.695 20 30 HHEDRO C=CCc1ccc(OCC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c(OC)c1 ZINC000531395966 1006172219 /nfs/dbraw/zinc/17/22/19/1006172219.db2.gz JNSMMUWWITUUIT-UHFFFAOYSA-N 1 0 408.542 3.926 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000515020051 1006254603 /nfs/dbraw/zinc/25/46/03/1006254603.db2.gz MOGMJTORTJXZHM-SFTDATJTSA-N 1 0 404.514 3.943 20 30 HHEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)CC1 ZINC000531587013 1006288882 /nfs/dbraw/zinc/28/88/82/1006288882.db2.gz CCIVMGNXTAAVNA-MOPGFXCFSA-N 1 0 415.607 3.571 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1C#N ZINC000515168907 1006322882 /nfs/dbraw/zinc/32/28/82/1006322882.db2.gz JETIJGWIJOXFTN-GCJKJVERSA-N 1 0 423.536 3.602 20 30 HHEDRO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000531648762 1006329038 /nfs/dbraw/zinc/32/90/38/1006329038.db2.gz KMIFNCQXCRIAMZ-LJQANCHMSA-N 1 0 424.976 3.939 20 30 HHEDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000515443544 1006466625 /nfs/dbraw/zinc/46/66/25/1006466625.db2.gz CAVNIEJZIZTIOY-UHFFFAOYSA-N 1 0 418.497 3.719 20 30 HHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000515471267 1006484346 /nfs/dbraw/zinc/48/43/46/1006484346.db2.gz FTQVMSHFSSHMHN-UHFFFAOYSA-N 1 0 406.530 3.670 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000515615877 1006561194 /nfs/dbraw/zinc/56/11/94/1006561194.db2.gz ZADNZBGCLPJHMA-NRFANRHFSA-N 1 0 408.594 3.932 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc2ccccc21 ZINC000538390013 1006659309 /nfs/dbraw/zinc/65/93/09/1006659309.db2.gz MNMPYSDBDMDHHV-PGRDOPGGSA-N 1 0 418.566 3.961 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(C#N)c(C)c1C ZINC000515774622 1006663495 /nfs/dbraw/zinc/66/34/95/1006663495.db2.gz AGPKVIXNIOUTSE-OAQYLSRUSA-N 1 0 408.571 3.924 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)nnc1-c1ccco1 ZINC000532208261 1006722314 /nfs/dbraw/zinc/72/23/14/1006722314.db2.gz CRAIRQDXNHLYJN-UHFFFAOYSA-N 1 0 417.579 3.539 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1OCCCC#N ZINC000538453791 1006722650 /nfs/dbraw/zinc/72/26/50/1006722650.db2.gz ITJSXYNLOJKOKC-MRXNPFEDSA-N 1 0 415.440 3.551 20 30 HHEDRO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)c1 ZINC000532499579 1006939785 /nfs/dbraw/zinc/93/97/85/1006939785.db2.gz DNZGEKAUQPLYHQ-UHFFFAOYSA-N 1 0 420.557 3.696 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCN(CC(F)(F)F)C3=O)c2)c1 ZINC000532569788 1007001990 /nfs/dbraw/zinc/00/19/90/1007001990.db2.gz YCGWBRQSPALJRV-FQEVSTJZSA-N 1 0 417.431 3.780 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2C[C@@H](C)S[C@H](C)C2)c1C#N ZINC000532581463 1007015975 /nfs/dbraw/zinc/01/59/75/1007015975.db2.gz VSQURJWINBCVBA-HUUCEWRRSA-N 1 0 400.548 3.772 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000532581421 1007016059 /nfs/dbraw/zinc/01/60/59/1007016059.db2.gz VSQURJWINBCVBA-GASCZTMLSA-N 1 0 400.548 3.772 20 30 HHEDRO COc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1OCCCC#N ZINC000538761540 1007046497 /nfs/dbraw/zinc/04/64/97/1007046497.db2.gz KMEZSIPZDPGROL-NRFANRHFSA-N 1 0 402.535 3.928 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(OC)c1 ZINC000538781167 1007062087 /nfs/dbraw/zinc/06/20/87/1007062087.db2.gz LETBZHFSBOUWHP-RTWAWAEBSA-N 1 0 421.541 3.678 20 30 HHEDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000532673469 1007087516 /nfs/dbraw/zinc/08/75/16/1007087516.db2.gz OORPYBRTRKKFHG-DQEYMECFSA-N 1 0 402.538 3.584 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000538849364 1007123317 /nfs/dbraw/zinc/12/33/17/1007123317.db2.gz ZACMIBGSYXZFRD-UHFFFAOYSA-N 1 0 418.950 3.534 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000532716442 1007128456 /nfs/dbraw/zinc/12/84/56/1007128456.db2.gz QHEQJGPODTZTDO-PKOBYXMFSA-N 1 0 402.560 3.938 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c1C#N ZINC000532733449 1007143796 /nfs/dbraw/zinc/14/37/96/1007143796.db2.gz DSQLFKUSZBGWAL-UHFFFAOYSA-N 1 0 412.509 3.933 20 30 HHEDRO N#Cc1c(F)cccc1N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532901289 1007277152 /nfs/dbraw/zinc/27/71/52/1007277152.db2.gz MLFANMYWQLQDRD-UHFFFAOYSA-N 1 0 421.432 3.625 20 30 HHEDRO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000532901463 1007278652 /nfs/dbraw/zinc/27/86/52/1007278652.db2.gz MIHOOLZOQFBFHR-DENIHFKCSA-N 1 0 422.598 3.880 20 30 HHEDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000532907799 1007282391 /nfs/dbraw/zinc/28/23/91/1007282391.db2.gz GWAJTDPMMRSDSK-HNNXBMFYSA-N 1 0 424.570 3.565 20 30 HHEDRO Cc1nc(-c2cc3c(s2)CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C3)cs1 ZINC000539001596 1007299529 /nfs/dbraw/zinc/29/95/29/1007299529.db2.gz UNLIZOMZTGCMSF-ZUOKHONESA-N 1 0 402.589 3.981 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000517002564 1007369456 /nfs/dbraw/zinc/36/94/56/1007369456.db2.gz PMVGNUFEKYHJDE-IERDGZPVSA-N 1 0 403.448 3.956 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000533020991 1007380492 /nfs/dbraw/zinc/38/04/92/1007380492.db2.gz RPYBJRYUPRRUGX-SFHVURJKSA-N 1 0 417.619 3.812 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533042271 1007400745 /nfs/dbraw/zinc/40/07/45/1007400745.db2.gz IRPKCNOGVVXVNK-DOTOQJQBSA-N 1 0 415.925 3.578 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047846 1007410152 /nfs/dbraw/zinc/41/01/52/1007410152.db2.gz QXMRFBHWUGMUGD-WMZOPIPTSA-N 1 0 400.498 3.868 20 30 HHEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000517132188 1007446730 /nfs/dbraw/zinc/44/67/30/1007446730.db2.gz OMENHZIOXVDSGB-ROUUACIJSA-N 1 0 408.502 3.971 20 30 HHEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000539214723 1007505578 /nfs/dbraw/zinc/50/55/78/1007505578.db2.gz WHKBCWRKASKGKM-QGZVFWFLSA-N 1 0 405.523 3.984 20 30 HHEDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000539214854 1007505926 /nfs/dbraw/zinc/50/59/26/1007505926.db2.gz XOBWQUGDTXKOBS-KRWDZBQOSA-N 1 0 405.523 3.984 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000517243560 1007514064 /nfs/dbraw/zinc/51/40/64/1007514064.db2.gz UKKSEFVPMPAYCS-QRWLVFNGSA-N 1 0 411.468 3.771 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000533221463 1007545618 /nfs/dbraw/zinc/54/56/18/1007545618.db2.gz IAONTCAVFKGWHQ-HXUWFJFHSA-N 1 0 422.598 3.880 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000539253444 1007546771 /nfs/dbraw/zinc/54/67/71/1007546771.db2.gz FPIUEPWSTBUKEX-YLJYHZDGSA-N 1 0 410.514 3.979 20 30 HHEDRO COc1ccc(C[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccc2)cc1OC ZINC000539254778 1007549018 /nfs/dbraw/zinc/54/90/18/1007549018.db2.gz SGYWIUYFDGOPME-NRFANRHFSA-N 1 0 421.541 3.920 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000539288387 1007585535 /nfs/dbraw/zinc/58/55/35/1007585535.db2.gz HEXHWCOBNCOMIZ-OALUTQOASA-N 1 0 417.513 3.867 20 30 HHEDRO CC1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000533302125 1007619299 /nfs/dbraw/zinc/61/92/99/1007619299.db2.gz YOLREGPTSFYOGP-GOSISDBHSA-N 1 0 412.578 3.868 20 30 HHEDRO C[N@H+](CCc1cccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1)C1CC1 ZINC000539329476 1007629106 /nfs/dbraw/zinc/62/91/06/1007629106.db2.gz ASNJBRCNGGPDMY-UHFFFAOYSA-N 1 0 404.514 3.942 20 30 HHEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000539333681 1007633703 /nfs/dbraw/zinc/63/37/03/1007633703.db2.gz DCJPPQSTXFAVJJ-QAPCUYQASA-N 1 0 404.498 3.974 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(c3nc(C)cs3)CCCC2)c(OC)c1 ZINC000533387540 1007701127 /nfs/dbraw/zinc/70/11/27/1007701127.db2.gz HXEFWRVMODLAGD-GOSISDBHSA-N 1 0 402.560 3.987 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000535679051 1007706118 /nfs/dbraw/zinc/70/61/18/1007706118.db2.gz FSVGQBQFKZUUPU-INIZCTEOSA-N 1 0 413.547 3.738 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C1CCOCC1 ZINC000539421207 1007728027 /nfs/dbraw/zinc/72/80/27/1007728027.db2.gz FDNIHSATXVBGOR-QFIPXVFZSA-N 1 0 424.545 3.708 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000517506967 1007728382 /nfs/dbraw/zinc/72/83/82/1007728382.db2.gz VPXXVIPIDUOMMD-NRFANRHFSA-N 1 0 422.529 3.568 20 30 HHEDRO O=C(CN1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000533434541 1007747112 /nfs/dbraw/zinc/74/71/12/1007747112.db2.gz QRAYJOGITAHYNZ-VIFPVBQESA-N 1 0 400.285 3.604 20 30 HHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2sccc2C#N)C2CCC(O)CC2)c1 ZINC000533436836 1007751463 /nfs/dbraw/zinc/75/14/63/1007751463.db2.gz NNVAQSJOAIPOGY-UHFFFAOYSA-N 1 0 413.543 3.763 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[NH+](C)C)cc1 ZINC000517599574 1007801703 /nfs/dbraw/zinc/80/17/03/1007801703.db2.gz IANOHRVWLSCVBU-NFBKMPQASA-N 1 0 423.536 3.577 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000539491576 1007803600 /nfs/dbraw/zinc/80/36/00/1007803600.db2.gz QUFFHVBQYUOHBZ-MOPGFXCFSA-N 1 0 416.978 3.851 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000539508124 1007817630 /nfs/dbraw/zinc/81/76/30/1007817630.db2.gz LJHAQWGEGPSXMI-LJQANCHMSA-N 1 0 411.571 3.971 20 30 HHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000533513492 1007832639 /nfs/dbraw/zinc/83/26/39/1007832639.db2.gz IQNKEDZJBZFRRR-QFIPXVFZSA-N 1 0 403.461 3.953 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCc2cc(OC)c(OC)cc2CC1)C(C)C ZINC000517676686 1007892319 /nfs/dbraw/zinc/89/23/19/1007892319.db2.gz QXOHGHOIXOOGOX-NRFANRHFSA-N 1 0 415.578 3.513 20 30 HHEDRO C[N@H+](CCOc1cccc(C#N)c1)[C@H]1CCCN(CCOc2cccc(C#N)c2)CC1 ZINC000533606214 1007905659 /nfs/dbraw/zinc/90/56/59/1007905659.db2.gz KKEWYMWTZCVOOV-QHCPKHFHSA-N 1 0 418.541 3.674 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000533608208 1007907866 /nfs/dbraw/zinc/90/78/66/1007907866.db2.gz YDHLQSTUNSQKAM-OAHLLOKOSA-N 1 0 407.942 3.509 20 30 HHEDRO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000517703012 1007916861 /nfs/dbraw/zinc/91/68/61/1007916861.db2.gz WJAIIRPYDIIKLY-LJQANCHMSA-N 1 0 406.530 3.632 20 30 HHEDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000539608294 1007925559 /nfs/dbraw/zinc/92/55/59/1007925559.db2.gz CMBGVVVYLHCJRR-CYBMUJFWSA-N 1 0 404.283 3.931 20 30 HHEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cn2)C[C@@H](C)O1 ZINC000517786216 1007968480 /nfs/dbraw/zinc/96/84/80/1007968480.db2.gz OMNTYNPPTLGZAQ-HUUCEWRRSA-N 1 0 404.436 3.875 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000539653508 1007971155 /nfs/dbraw/zinc/97/11/55/1007971155.db2.gz CBSAOOQALWMUHM-UHFFFAOYSA-N 1 0 404.514 3.645 20 30 HHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C2)CC1 ZINC000533698298 1008022049 /nfs/dbraw/zinc/02/20/49/1008022049.db2.gz CIWCFTYRLXGGIV-QHCPKHFHSA-N 1 0 403.526 3.941 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000517982151 1008086090 /nfs/dbraw/zinc/08/60/90/1008086090.db2.gz FHCNTJNOJCJPFN-KRWDZBQOSA-N 1 0 423.517 3.933 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000517984095 1008086700 /nfs/dbraw/zinc/08/67/00/1008086700.db2.gz ZXSRRXZBZJISLP-MRXNPFEDSA-N 1 0 410.345 3.503 20 30 HHEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831544 1008124888 /nfs/dbraw/zinc/12/48/88/1008124888.db2.gz AVLXICKZSKWGRF-QGZVFWFLSA-N 1 0 415.501 3.810 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000539890486 1008165972 /nfs/dbraw/zinc/16/59/72/1008165972.db2.gz ZGCHIJLEWUMDOR-UHFFFAOYSA-N 1 0 407.514 3.718 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000539924498 1008187206 /nfs/dbraw/zinc/18/72/06/1008187206.db2.gz FWBXCLSTPMFYAV-WBVHZDCISA-N 1 0 423.351 3.513 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000518159216 1008187946 /nfs/dbraw/zinc/18/79/46/1008187946.db2.gz KWCBRRGNGGISPN-MSOLQXFVSA-N 1 0 416.591 3.505 20 30 HHEDRO N#CCc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000533919640 1008205339 /nfs/dbraw/zinc/20/53/39/1008205339.db2.gz SMVYTSZMVNHJHO-UHFFFAOYSA-N 1 0 411.509 3.722 20 30 HHEDRO N#Cc1ccnc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000518232975 1008217407 /nfs/dbraw/zinc/21/74/07/1008217407.db2.gz CGPWSOCTPQELFQ-QHCPKHFHSA-N 1 0 411.509 3.655 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000518288920 1008241267 /nfs/dbraw/zinc/24/12/67/1008241267.db2.gz VSNSOQIZLYSLFO-UHFFFAOYSA-N 1 0 422.916 4.000 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000518289329 1008241630 /nfs/dbraw/zinc/24/16/30/1008241630.db2.gz ALJICAWMLRSYIK-UHFFFAOYSA-N 1 0 419.447 3.980 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)cc1 ZINC000540048759 1008257690 /nfs/dbraw/zinc/25/76/90/1008257690.db2.gz WEBNLEVZVQVKEK-UHFFFAOYSA-N 1 0 412.578 3.968 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000518402197 1008289834 /nfs/dbraw/zinc/28/98/34/1008289834.db2.gz PUQJUGHMGZSVLX-GCJKJVERSA-N 1 0 408.571 3.926 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)Cc2ccc3ccccc3c2)C(C)C)CC1 ZINC000518496971 1008328707 /nfs/dbraw/zinc/32/87/07/1008328707.db2.gz OWRIKSAUNUJEBG-VWLOTQADSA-N 1 0 421.585 3.680 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000518512827 1008333125 /nfs/dbraw/zinc/33/31/25/1008333125.db2.gz AOHXQWJXGWNFFE-QFIPXVFZSA-N 1 0 406.530 3.706 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC1 ZINC000518581907 1008354451 /nfs/dbraw/zinc/35/44/51/1008354451.db2.gz QPXQFPWSRJBXSX-UHFFFAOYSA-N 1 0 407.540 3.741 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2cc(Cl)ccc2OC)CCOCC1 ZINC000518733319 1008407700 /nfs/dbraw/zinc/40/77/00/1008407700.db2.gz KJVYFJOMWKEIRL-QGZVFWFLSA-N 1 0 406.954 3.576 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000540431769 1008430938 /nfs/dbraw/zinc/43/09/38/1008430938.db2.gz NTAVWMYPXSRQJB-OAHLLOKOSA-N 1 0 409.511 3.884 20 30 HHEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000540458314 1008440174 /nfs/dbraw/zinc/44/01/74/1008440174.db2.gz NVKXGPDCFVNNTJ-ZCYQVOJMSA-N 1 0 405.542 3.994 20 30 HHEDRO CS[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1[NH+](C)C ZINC000545421713 1008531189 /nfs/dbraw/zinc/53/11/89/1008531189.db2.gz CLEYIGAWBVTAFE-YADHBBJMSA-N 1 0 424.570 3.841 20 30 HHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542964082 1008536992 /nfs/dbraw/zinc/53/69/92/1008536992.db2.gz CVLDKIULBVLLRU-INIZCTEOSA-N 1 0 400.914 3.735 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549116273 1008682943 /nfs/dbraw/zinc/68/29/43/1008682943.db2.gz MSEIHVGHEPRPBG-VQIMIIECSA-N 1 0 422.476 3.791 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc(I)c1 ZINC000549164657 1008737045 /nfs/dbraw/zinc/73/70/45/1008737045.db2.gz GQMOUSNFHJCTJY-CHWSQXEVSA-N 1 0 419.266 3.841 20 30 HHEDRO CCCN(CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000549216023 1008785578 /nfs/dbraw/zinc/78/55/78/1008785578.db2.gz RFKFDRGKWKQOKF-UHFFFAOYSA-N 1 0 418.585 3.813 20 30 HHEDRO N#Cc1nnc2ccccc2c1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549244167 1008815195 /nfs/dbraw/zinc/81/51/95/1008815195.db2.gz DCMCBJBLJYEIOM-HXUWFJFHSA-N 1 0 413.525 3.842 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000549251482 1008822252 /nfs/dbraw/zinc/82/22/52/1008822252.db2.gz SGDLRWCFGSYMCD-UHFFFAOYSA-N 1 0 420.561 3.616 20 30 HHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccccn2)CC1 ZINC000549253351 1008824652 /nfs/dbraw/zinc/82/46/52/1008824652.db2.gz SAQGFJVDUHWMNF-GOSISDBHSA-N 1 0 422.508 3.855 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549260249 1008830266 /nfs/dbraw/zinc/83/02/66/1008830266.db2.gz AXRZCESOVWSXCX-PMACEKPBSA-N 1 0 424.593 3.632 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549279494 1008849177 /nfs/dbraw/zinc/84/91/77/1008849177.db2.gz KIVJLOQWKYWEEW-YTFSRNRJSA-N 1 0 421.589 3.849 20 30 HHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549283817 1008854559 /nfs/dbraw/zinc/85/45/59/1008854559.db2.gz ATJXDHGJKYAGSO-NQIIRXRSSA-N 1 0 422.533 3.883 20 30 HHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549283816 1008855196 /nfs/dbraw/zinc/85/51/96/1008855196.db2.gz ATJXDHGJKYAGSO-GHTZIAJQSA-N 1 0 422.533 3.883 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000549303299 1008878946 /nfs/dbraw/zinc/87/89/46/1008878946.db2.gz QLJHRSJASQQVQN-BHDDXSALSA-N 1 0 409.578 3.876 20 30 HHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(C(F)(F)F)c1 ZINC000519612635 1008928999 /nfs/dbraw/zinc/92/89/99/1008928999.db2.gz MNGMPVFEJCAPMB-UHFFFAOYSA-N 1 0 410.827 3.953 20 30 HHEDRO C=C(C)C[NH+]1CCC(Nc2ncnc3cccc(I)c32)CC1 ZINC000545870841 1008960523 /nfs/dbraw/zinc/96/05/23/1008960523.db2.gz YHESDBAUEMJJGL-UHFFFAOYSA-N 1 0 408.287 3.687 20 30 HHEDRO N#CCCC[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000519727143 1008982104 /nfs/dbraw/zinc/98/21/04/1008982104.db2.gz ZTDXIFVKYYEZCU-HSZRJFAPSA-N 1 0 418.541 3.815 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000549405422 1008992723 /nfs/dbraw/zinc/99/27/23/1008992723.db2.gz PKUDAPPXAGZRHI-HXOBKFHXSA-N 1 0 407.489 3.903 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000549405423 1008993087 /nfs/dbraw/zinc/99/30/87/1008993087.db2.gz PKUDAPPXAGZRHI-SBUREZEXSA-N 1 0 407.489 3.903 20 30 HHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000519908682 1009068348 /nfs/dbraw/zinc/06/83/48/1009068348.db2.gz JYVVWBKVBOLOLA-IBGZPJMESA-N 1 0 403.320 3.971 20 30 HHEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000549476181 1009072845 /nfs/dbraw/zinc/07/28/45/1009072845.db2.gz JVYCXENRJZWAGR-VXKWHMMOSA-N 1 0 413.468 3.937 20 30 HHEDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C ZINC000543493038 1009082245 /nfs/dbraw/zinc/08/22/45/1009082245.db2.gz XXUKBDWNSGWAOB-OAQYLSRUSA-N 1 0 417.513 3.548 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000543495841 1009085312 /nfs/dbraw/zinc/08/53/12/1009085312.db2.gz DJYCCHICERJELD-RTWAWAEBSA-N 1 0 412.509 3.650 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@H]1CCCOC1 ZINC000543507859 1009096458 /nfs/dbraw/zinc/09/64/58/1009096458.db2.gz LSEVQQZVGQBEHM-ROUUACIJSA-N 1 0 406.530 3.571 20 30 HHEDRO CS[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1[NH+](C)C ZINC000546128273 1009153254 /nfs/dbraw/zinc/15/32/54/1009153254.db2.gz NYYCYZZPEISWHB-FGZHOGPDSA-N 1 0 424.570 3.841 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000549655063 1009282679 /nfs/dbraw/zinc/28/26/79/1009282679.db2.gz LQKQAZHDEWRZSX-JOCHJYFZSA-N 1 0 423.561 3.821 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000520136592 1009290068 /nfs/dbraw/zinc/29/00/68/1009290068.db2.gz HQACWUAAEMVOAV-SFHVURJKSA-N 1 0 406.530 3.839 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549675915 1009307796 /nfs/dbraw/zinc/30/77/96/1009307796.db2.gz FXJRMZZLPMNWKI-UHFFFAOYSA-N 1 0 416.367 3.816 20 30 HHEDRO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195123 1009334197 /nfs/dbraw/zinc/33/41/97/1009334197.db2.gz UTGDAJZSCMHMFE-INIZCTEOSA-N 1 0 421.530 3.956 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549734455 1009357601 /nfs/dbraw/zinc/35/76/01/1009357601.db2.gz BLVVFXABLRECDK-BGYRXZFFSA-N 1 0 424.593 3.550 20 30 HHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000520288078 1009410785 /nfs/dbraw/zinc/41/07/85/1009410785.db2.gz XSZFEUHUVATNQR-INIZCTEOSA-N 1 0 405.477 3.979 20 30 HHEDRO COC(=O)C1(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCCCC1 ZINC000543873881 1009444200 /nfs/dbraw/zinc/44/42/00/1009444200.db2.gz NXXMMHFCMRRIOV-GOSISDBHSA-N 1 0 419.525 3.868 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543884347 1009459509 /nfs/dbraw/zinc/45/95/09/1009459509.db2.gz MLGIFOBOWYJUGG-HUUCEWRRSA-N 1 0 400.914 3.639 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000543889529 1009468071 /nfs/dbraw/zinc/46/80/71/1009468071.db2.gz ZKLBYINWVXFRMV-UHFFFAOYSA-N 1 0 420.904 3.577 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550029769 1009627417 /nfs/dbraw/zinc/62/74/17/1009627417.db2.gz WKBZMDRRFIVBFI-YWZLYKJASA-N 1 0 409.933 3.603 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCCO[C@@H](C(C)C)C2)c1C#N ZINC000550190140 1009764745 /nfs/dbraw/zinc/76/47/45/1009764745.db2.gz WYEMFQTVRFSSOZ-OAQYLSRUSA-N 1 0 412.534 3.693 20 30 HHEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)CC1 ZINC000520731158 1009798849 /nfs/dbraw/zinc/79/88/49/1009798849.db2.gz BMDZVYQYUMOJRM-FQEVSTJZSA-N 1 0 420.582 3.561 20 30 HHEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000550253654 1009807917 /nfs/dbraw/zinc/80/79/17/1009807917.db2.gz TUAHIUIVWNVAMM-QGZVFWFLSA-N 1 0 424.570 3.637 20 30 HHEDRO CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546905955 1009863430 /nfs/dbraw/zinc/86/34/30/1009863430.db2.gz VPKUJMKFDLRJFR-QHCPKHFHSA-N 1 0 413.525 3.789 20 30 HHEDRO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000520812363 1009877820 /nfs/dbraw/zinc/87/78/20/1009877820.db2.gz FIWDZQBSSKBIMK-UHFFFAOYSA-N 1 0 408.502 3.705 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544301410 1009922267 /nfs/dbraw/zinc/92/22/67/1009922267.db2.gz RSRCOJZRQDUSRL-OAQYLSRUSA-N 1 0 422.529 3.712 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCN(c4cccnc4)C3=O)c2)c1 ZINC000544364987 1009993515 /nfs/dbraw/zinc/99/35/15/1009993515.db2.gz DRJNMNLPWOOWRA-DEOSSOPVSA-N 1 0 412.493 3.817 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCCc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000544367964 1009996213 /nfs/dbraw/zinc/99/62/13/1009996213.db2.gz DBQSNBJJPJBZKX-UHFFFAOYSA-N 1 0 419.504 3.934 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC ZINC000520963320 1010009512 /nfs/dbraw/zinc/00/95/12/1010009512.db2.gz BIRZIXLGBPXCDF-KRWDZBQOSA-N 1 0 418.559 3.751 20 30 HHEDRO N#Cc1cc2c(nc1NC[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CCC2 ZINC000520999763 1010038289 /nfs/dbraw/zinc/03/82/89/1010038289.db2.gz XWVDWHXXLAYCRA-QFIPXVFZSA-N 1 0 402.542 3.783 20 30 HHEDRO N#Cc1cnn2cc(C[NH2+]C[C@H](c3ccccc3)N3CCc4sccc4C3)cnc12 ZINC000550858626 1010221044 /nfs/dbraw/zinc/22/10/44/1010221044.db2.gz DIIIGPGNXOEAIS-OAQYLSRUSA-N 1 0 414.538 3.552 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000544598954 1010224649 /nfs/dbraw/zinc/22/46/49/1010224649.db2.gz KIIMMMMDMWACTK-UHFFFAOYSA-N 1 0 406.515 3.672 20 30 HHEDRO C[NH+](C)Cc1cc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)ccc1F ZINC000521262101 1010264881 /nfs/dbraw/zinc/26/48/81/1010264881.db2.gz GSIXGLOVOBMUKD-UHFFFAOYSA-N 1 0 410.493 3.512 20 30 HHEDRO C[C@@H](NC(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1ccc(C#N)cc1 ZINC000550979007 1010295398 /nfs/dbraw/zinc/29/53/98/1010295398.db2.gz HDFQYJKAHXKGRB-RTBURBONSA-N 1 0 418.541 3.515 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000521570456 1010471504 /nfs/dbraw/zinc/47/15/04/1010471504.db2.gz FYLCVMCRVNDJHK-UHFFFAOYSA-N 1 0 407.493 3.572 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000521573836 1010473358 /nfs/dbraw/zinc/47/33/58/1010473358.db2.gz SVKMIJCYTGZIRD-MRXNPFEDSA-N 1 0 410.345 3.503 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000521578142 1010476171 /nfs/dbraw/zinc/47/61/71/1010476171.db2.gz WFOQIYGIVYRJQC-UHFFFAOYSA-N 1 0 401.532 3.516 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)n1-c1nccs1 ZINC000521846869 1010655987 /nfs/dbraw/zinc/65/59/87/1010655987.db2.gz OPHGEAGKHKFTDW-UHFFFAOYSA-N 1 0 407.543 3.626 20 30 HHEDRO COc1ccc(Cn2cc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn2)cc1 ZINC000551567202 1010666659 /nfs/dbraw/zinc/66/66/59/1010666659.db2.gz RMHQIAQPCJHLFG-UHFFFAOYSA-N 1 0 401.514 3.888 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000521901464 1010695897 /nfs/dbraw/zinc/69/58/97/1010695897.db2.gz JWXKDTWYTHKGPC-AWEZNQCLSA-N 1 0 412.397 3.879 20 30 HHEDRO C[C@@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000548883956 1010752410 /nfs/dbraw/zinc/75/24/10/1010752410.db2.gz UTZLBOYSRLKMIB-NRFANRHFSA-N 1 0 416.569 3.809 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@H]1c1cccs1 ZINC000548906532 1010756645 /nfs/dbraw/zinc/75/66/45/1010756645.db2.gz PXWWURRNRILJMO-RXVVDRJESA-N 1 0 423.586 3.793 20 30 HHEDRO N#CC1(NC(=O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CCCCC1 ZINC000548933124 1010767613 /nfs/dbraw/zinc/76/76/13/1010767613.db2.gz OPXVDDZVUNCWEL-BJKOFHAPSA-N 1 0 416.569 3.587 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@@H](C)C1 ZINC000522365479 1010960305 /nfs/dbraw/zinc/96/03/05/1010960305.db2.gz XQZKUTXCMDRAMW-PGRDOPGGSA-N 1 0 422.529 3.612 20 30 HHEDRO C=CC[C@H](C)NC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000522573386 1011086799 /nfs/dbraw/zinc/08/67/99/1011086799.db2.gz QROMJICVIGLYGQ-KRWDZBQOSA-N 1 0 412.500 3.871 20 30 HHEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 ZINC000540591752 1011248580 /nfs/dbraw/zinc/24/85/80/1011248580.db2.gz YZNQLRWDYQENLL-NZQKXSOJSA-N 1 0 408.571 3.506 20 30 HHEDRO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000540806169 1011468011 /nfs/dbraw/zinc/46/80/11/1011468011.db2.gz MELPRMCQIRWFLO-XZOQPEGZSA-N 1 0 408.590 3.651 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000540826582 1011490148 /nfs/dbraw/zinc/49/01/48/1011490148.db2.gz MEITYSZPODDNPB-QFIPXVFZSA-N 1 0 424.520 3.934 20 30 HHEDRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)[nH]1 ZINC000540866087 1011543345 /nfs/dbraw/zinc/54/33/45/1011543345.db2.gz WWEJOHPACYTPNS-OAHLLOKOSA-N 1 0 412.563 3.523 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981212 1011616514 /nfs/dbraw/zinc/61/65/14/1011616514.db2.gz LUCBEVAJIZSDDQ-SJLPKXTDSA-N 1 0 418.476 3.840 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c(Cl)c1 ZINC000541101354 1011748056 /nfs/dbraw/zinc/74/80/56/1011748056.db2.gz OENQVQRHDKVUDT-LPHOPBHVSA-N 1 0 424.936 3.878 20 30 HHEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000536589324 1011752245 /nfs/dbraw/zinc/75/22/45/1011752245.db2.gz IDMNRMPOPOPESB-VGSWGCGISA-N 1 0 412.509 3.547 20 30 HHEDRO N#Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)nc1 ZINC000536631130 1011786169 /nfs/dbraw/zinc/78/61/69/1011786169.db2.gz BLVCVCKAMFSGAC-UHFFFAOYSA-N 1 0 411.509 3.570 20 30 HHEDRO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541156969 1011817860 /nfs/dbraw/zinc/81/78/60/1011817860.db2.gz MMENMFFILPSKHW-FPOVZHCZSA-N 1 0 418.541 3.650 20 30 HHEDRO C=CCc1cc(C[N@@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)cc(OC)c1O ZINC000536667644 1011821361 /nfs/dbraw/zinc/82/13/61/1011821361.db2.gz MUBKINSXISTVQM-UHFFFAOYSA-N 1 0 413.514 3.756 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CC3CCN(C(=O)c4ccccc4)CC3)CC2)cc1 ZINC000552047469 1012066655 /nfs/dbraw/zinc/06/66/55/1012066655.db2.gz NALFNRKPVYTLCN-UHFFFAOYSA-N 1 0 402.542 3.669 20 30 HHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000536877697 1012122916 /nfs/dbraw/zinc/12/29/16/1012122916.db2.gz OGGHJAAYSHJPSG-OAHLLOKOSA-N 1 0 410.461 3.658 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000552357811 1012365843 /nfs/dbraw/zinc/36/58/43/1012365843.db2.gz RULKASKDDWMBCH-HXUWFJFHSA-N 1 0 409.368 3.940 20 30 HHEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000537048623 1012370645 /nfs/dbraw/zinc/37/06/45/1012370645.db2.gz TVIPWGBKVWZSEN-GOSISDBHSA-N 1 0 411.377 3.510 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000537077170 1012422171 /nfs/dbraw/zinc/42/21/71/1012422171.db2.gz GKORKYGALCSVTH-WAIKUNEKSA-N 1 0 410.493 3.783 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537094038 1012454360 /nfs/dbraw/zinc/45/43/60/1012454360.db2.gz LPQTTXZPFAUKOC-GOSISDBHSA-N 1 0 419.529 3.669 20 30 HHEDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)cnn1C ZINC000541661334 1012489206 /nfs/dbraw/zinc/48/92/06/1012489206.db2.gz HBCFNVDPEDHXKF-INIZCTEOSA-N 1 0 416.529 3.559 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000537127729 1012512481 /nfs/dbraw/zinc/51/24/81/1012512481.db2.gz CMJJSNRUZOTMEY-GOSISDBHSA-N 1 0 412.452 3.714 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000537133525 1012519363 /nfs/dbraw/zinc/51/93/63/1012519363.db2.gz CHNOWFYVEUIDGP-UHFFFAOYSA-N 1 0 418.488 3.755 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000541694531 1012541471 /nfs/dbraw/zinc/54/14/71/1012541471.db2.gz BDDZYANCJYEFMZ-IIBYNOLFSA-N 1 0 418.497 3.711 20 30 HHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2NC1=O ZINC000537154418 1012550512 /nfs/dbraw/zinc/55/05/12/1012550512.db2.gz LRWJQKXOWIKXJS-KPZWWZAWSA-N 1 0 412.877 3.610 20 30 HHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)ccc2NC1=O ZINC000537156739 1012553395 /nfs/dbraw/zinc/55/33/95/1012553395.db2.gz WEBKMWNVVLJPNE-SGTLLEGYSA-N 1 0 412.877 3.610 20 30 HHEDRO C[S@](=O)C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000537160452 1012559579 /nfs/dbraw/zinc/55/95/79/1012559579.db2.gz RLTSUUOEZBPTLE-WRHNGFHOSA-N 1 0 415.584 3.537 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000523877569 1012574746 /nfs/dbraw/zinc/57/47/46/1012574746.db2.gz FCYVDCVLQCKKMO-FGTMMUONSA-N 1 0 403.567 3.598 20 30 HHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537225614 1012655159 /nfs/dbraw/zinc/65/51/59/1012655159.db2.gz VHULBYSPIBVLLA-ZUZCIYMTSA-N 1 0 403.832 3.800 20 30 HHEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)s1 ZINC000537226717 1012656579 /nfs/dbraw/zinc/65/65/79/1012656579.db2.gz RJZCZKJGGYEMIT-UHFFFAOYSA-N 1 0 407.518 3.770 20 30 HHEDRO Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)s2)cs1 ZINC000552679863 1012687432 /nfs/dbraw/zinc/68/74/32/1012687432.db2.gz UXYOMIICBSHOQQ-QGZVFWFLSA-N 1 0 413.568 3.818 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000537249380 1012694428 /nfs/dbraw/zinc/69/44/28/1012694428.db2.gz REICLPPKVJLLPJ-QPPBQGQZSA-N 1 0 422.598 3.978 20 30 HHEDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000537249649 1012696081 /nfs/dbraw/zinc/69/60/81/1012696081.db2.gz OAVZOOSVKVAQFE-RTWAWAEBSA-N 1 0 410.587 3.930 20 30 HHEDRO COc1ccc(C2(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)CCOCC2)cc1 ZINC000537295722 1012753188 /nfs/dbraw/zinc/75/31/88/1012753188.db2.gz PMGJBKFNFXZGBT-UHFFFAOYSA-N 1 0 419.569 3.869 20 30 HHEDRO CCN(CC)C(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000537297591 1012754909 /nfs/dbraw/zinc/75/49/09/1012754909.db2.gz XLACMJDINAZKCO-UHFFFAOYSA-N 1 0 404.558 3.794 20 30 HHEDRO CC1(C(=O)NCC[NH+]2CCCCCC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552755559 1012763345 /nfs/dbraw/zinc/76/33/45/1012763345.db2.gz BUGGAJYAWXDKAH-UHFFFAOYSA-N 1 0 402.970 3.810 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)cc1OCCCC#N ZINC000537326888 1012784274 /nfs/dbraw/zinc/78/42/74/1012784274.db2.gz GXCNEFJUJTYMIL-IBGZPJMESA-N 1 0 411.477 3.802 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c1C#N ZINC000541982072 1012855924 /nfs/dbraw/zinc/85/59/24/1012855924.db2.gz BCNGCIOAPVUDHE-HSZRJFAPSA-N 1 0 416.525 3.595 20 30 HHEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552984978 1012962749 /nfs/dbraw/zinc/96/27/49/1012962749.db2.gz QUKSYKXGBUZSKP-QGZVFWFLSA-N 1 0 402.970 3.618 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032853 1013009397 /nfs/dbraw/zinc/00/93/97/1013009397.db2.gz BGXKIEFQMQXNMC-KNQAVFIVSA-N 1 0 420.532 3.647 20 30 HHEDRO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1CCC#N ZINC000537513641 1013026540 /nfs/dbraw/zinc/02/65/40/1013026540.db2.gz KQHASNHOFIAQEO-QGZVFWFLSA-N 1 0 420.439 3.520 20 30 HHEDRO CCCCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C(C)(C)C)cc1 ZINC000729669495 1071783403 /nfs/dbraw/zinc/78/34/03/1071783403.db2.gz ZJFYRPSMKJDWNZ-UHFFFAOYSA-O 1 0 417.551 3.980 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2ccc(C)cc2)c1 ZINC000729669531 1071784614 /nfs/dbraw/zinc/78/46/14/1071784614.db2.gz GQVUPTCJPSOHTM-NVXWUHKLSA-O 1 0 415.535 3.769 20 30 HHEDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001212054005 1071935913 /nfs/dbraw/zinc/93/59/13/1071935913.db2.gz UUTUEMGQPGEUCO-JVPBZIDWSA-N 1 0 409.534 3.943 20 30 HHEDRO C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001212065127 1071943239 /nfs/dbraw/zinc/94/32/39/1071943239.db2.gz YGADMHSWGSBVLN-RDTXWAMCSA-N 1 0 423.460 3.518 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H]3CCCc4cc(C#N)ccc43)CC2)cc1OC ZINC000611394830 1072097083 /nfs/dbraw/zinc/09/70/83/1072097083.db2.gz IUAVULDIZMBEHX-QFIPXVFZSA-N 1 0 419.525 3.847 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C=C(c2ccc(Cl)cc2)C(F)(F)F)c1C#N ZINC000760306287 1072236051 /nfs/dbraw/zinc/23/60/51/1072236051.db2.gz HGDSXSCNPWOCIC-ZROIWOOFSA-N 1 0 411.815 3.671 20 30 HHEDRO CSc1cccc(N(C(=O)Cc2cccc(OCC#N)c2)C2CC[NH+](C)CC2)c1 ZINC000760462414 1072377121 /nfs/dbraw/zinc/37/71/21/1072377121.db2.gz RHDZCMYYADXDMC-UHFFFAOYSA-N 1 0 409.555 3.981 20 30 HHEDRO C[NH+]1CCC(CNC(=S)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000760476542 1072385953 /nfs/dbraw/zinc/38/59/53/1072385953.db2.gz PIBTVQCPBFVUMP-UHFFFAOYSA-N 1 0 410.562 3.916 20 30 HHEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(Cl)cc1 ZINC000586769214 1072424461 /nfs/dbraw/zinc/42/44/61/1072424461.db2.gz DKFTVUJVOJWZSF-HXUWFJFHSA-N 1 0 405.951 3.767 20 30 HHEDRO C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586805999 1072429574 /nfs/dbraw/zinc/42/95/74/1072429574.db2.gz OYRYDXKJVZXNLJ-FXAWDEMLSA-N 1 0 412.553 3.683 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1OCC ZINC000571068879 1072551639 /nfs/dbraw/zinc/55/16/39/1072551639.db2.gz QPYYHRVCCCCPMB-QFBILLFUSA-N 1 0 423.351 3.559 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000571474127 1072631727 /nfs/dbraw/zinc/63/17/27/1072631727.db2.gz CWWJWWILASFJGA-KUHUBIRLSA-N 1 0 403.404 3.955 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000587733085 1072657483 /nfs/dbraw/zinc/65/74/83/1072657483.db2.gz UMDKYZLSSWBZGV-YCRNBWNJSA-N 1 0 420.557 3.617 20 30 HHEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C(=O)OCC)cc3)C2)CC1 ZINC001142576082 1072863369 /nfs/dbraw/zinc/86/33/69/1072863369.db2.gz NFYPBIQUQLISMB-UHFFFAOYSA-N 1 0 400.519 3.864 20 30 HHEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000554853798 1072902628 /nfs/dbraw/zinc/90/26/28/1072902628.db2.gz JILQAYHNSVPJDU-UHFFFAOYSA-N 1 0 413.562 3.994 20 30 HHEDRO C[C@H]1C[NH+](CC2CCN(Cc3ccc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000588200404 1072904751 /nfs/dbraw/zinc/90/47/51/1072904751.db2.gz OVEAPKGHWKYBRB-HOTGVXAUSA-N 1 0 406.368 3.642 20 30 HHEDRO Cc1cc(C(C)(C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)ccc1Br ZINC000554958453 1073008470 /nfs/dbraw/zinc/00/84/70/1073008470.db2.gz IKSPUIVWXLEXRR-UHFFFAOYSA-N 1 0 421.360 3.928 20 30 HHEDRO N#Cc1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000554993506 1073036952 /nfs/dbraw/zinc/03/69/52/1073036952.db2.gz BZTKPIDLMDURRJ-UHFFFAOYSA-N 1 0 410.493 3.890 20 30 HHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000588666765 1073083471 /nfs/dbraw/zinc/08/34/71/1073083471.db2.gz WVEGAVJSIGFICU-ZCYQVOJMSA-N 1 0 400.526 3.853 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000572138413 1073201304 /nfs/dbraw/zinc/20/13/04/1073201304.db2.gz TVMCDOJFJDEGOY-NQIIRXRSSA-N 1 0 422.533 3.883 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000555243328 1073287067 /nfs/dbraw/zinc/28/70/67/1073287067.db2.gz PTTHWEKJZZJIDA-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000555257761 1073291552 /nfs/dbraw/zinc/29/15/52/1073291552.db2.gz WNWUWJPTXVBLFH-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000555265318 1073298626 /nfs/dbraw/zinc/29/86/26/1073298626.db2.gz HSPBBFUXTZOKCT-FPOVZHCZSA-N 1 0 401.599 3.839 20 30 HHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000588980834 1073369676 /nfs/dbraw/zinc/36/96/76/1073369676.db2.gz VAUCLESPUXOZPV-KRWDZBQOSA-N 1 0 409.313 3.753 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000555597040 1073662728 /nfs/dbraw/zinc/66/27/28/1073662728.db2.gz ADGDJXDKILBOHM-KSFYIVLOSA-N 1 0 400.592 3.633 20 30 HHEDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cn1 ZINC001143607972 1073727493 /nfs/dbraw/zinc/72/74/93/1073727493.db2.gz UOQOUMKIKKLRMO-QHCPKHFHSA-N 1 0 400.482 3.717 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1C#N ZINC000555734667 1073780541 /nfs/dbraw/zinc/78/05/41/1073780541.db2.gz DKFSYJFNXPAOTK-OAQYLSRUSA-N 1 0 400.567 3.807 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000555971154 1074014706 /nfs/dbraw/zinc/01/47/06/1074014706.db2.gz GXHRYWIKPTWVAO-OAQYLSRUSA-N 1 0 419.569 3.750 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000556016412 1074038666 /nfs/dbraw/zinc/03/86/66/1074038666.db2.gz QDZIELGLEWIJAI-XMMPIXPASA-N 1 0 419.569 3.899 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000573725180 1074637338 /nfs/dbraw/zinc/63/73/38/1074637338.db2.gz FNASIVMHJNOLNC-VQIMIIECSA-N 1 0 402.926 3.981 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000592068453 1074686676 /nfs/dbraw/zinc/68/66/76/1074686676.db2.gz LGLAWKRZZULZGM-QHCPKHFHSA-N 1 0 405.542 3.623 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CC1 ZINC000592071284 1074687238 /nfs/dbraw/zinc/68/72/38/1074687238.db2.gz VCUGCADGQHIGJI-UHFFFAOYSA-N 1 0 417.604 3.590 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000760936516 1074700189 /nfs/dbraw/zinc/70/01/89/1074700189.db2.gz LZFMPSMMQZTQEP-FUHWJXTLSA-N 1 0 420.513 3.667 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000592303785 1074720431 /nfs/dbraw/zinc/72/04/31/1074720431.db2.gz QXSJBYKJHBQUJX-UHFFFAOYSA-N 1 0 424.511 3.573 20 30 HHEDRO COc1cccc([C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)[NH+](C)C)c1 ZINC000592345035 1075148212 /nfs/dbraw/zinc/14/82/12/1075148212.db2.gz AEWBUARSFRHTKV-FQEVSTJZSA-N 1 0 410.543 3.594 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)[NH+](C)C)c1 ZINC000592345038 1075148233 /nfs/dbraw/zinc/14/82/33/1075148233.db2.gz AEWBUARSFRHTKV-HXUWFJFHSA-N 1 0 410.543 3.594 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)N2CCCCCC2)C(C)C)cc1OCCCC#N ZINC000574320299 1075219849 /nfs/dbraw/zinc/21/98/49/1075219849.db2.gz NCYYAXWHPBVQLC-UHFFFAOYSA-N 1 0 401.551 3.991 20 30 HHEDRO COc1cccc(CN(CC[NH+](C)C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000574320307 1075220054 /nfs/dbraw/zinc/22/00/54/1075220054.db2.gz SBUSKWCVXJKQND-UHFFFAOYSA-N 1 0 403.530 3.531 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000574423845 1075239083 /nfs/dbraw/zinc/23/90/83/1075239083.db2.gz VKVMAFQTXUNAOH-INIZCTEOSA-N 1 0 419.978 3.553 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC([NH3+])C4)CC3)c(Cl)nn2)cc1 ZINC001164388506 718802526 /nfs/dbraw/zinc/80/25/26/718802526.db2.gz VZKFHZNUAVEMAJ-UHFFFAOYSA-N 1 0 403.864 3.921 20 30 HHEDRO N#CC1(c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2)CCOCC1 ZINC001164628055 719094094 /nfs/dbraw/zinc/09/40/94/719094094.db2.gz LXQPWYZDZBUXDM-GGAORHGYSA-N 1 0 402.542 3.754 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164816028 720160284 /nfs/dbraw/zinc/16/02/84/720160284.db2.gz JWGHTPLAOIMSRF-GAJHUEQPSA-N 1 0 410.949 3.945 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3C#C[Si](C)(C)C)CC[C@@H]21 ZINC001164842091 720568623 /nfs/dbraw/zinc/56/86/23/720568623.db2.gz WKVGFCUSNNZDQH-VJBWXMMDSA-N 1 0 421.665 3.885 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccnc(Cl)c1C#N)[C@H]2C ZINC001164861891 720930335 /nfs/dbraw/zinc/93/03/35/720930335.db2.gz USUUIUCKKIBJMK-ZDUSSCGKSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164906346 721536209 /nfs/dbraw/zinc/53/62/09/721536209.db2.gz JZNBZEQPGBFJKN-FUHWJXTLSA-N 1 0 422.838 3.633 20 30 HHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C#C[Si](C)(C)C)[C@@H]2CCCO[C@H]21 ZINC001164804684 721565117 /nfs/dbraw/zinc/56/51/17/721565117.db2.gz MCPQIPYPJFTFHR-DNVJHFABSA-N 1 0 420.633 3.574 20 30 HHEDRO N#Cc1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164905720 721582641 /nfs/dbraw/zinc/58/26/41/721582641.db2.gz VJIXMCOAPUGYQR-LJQANCHMSA-N 1 0 403.864 3.739 20 30 HHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301419887 970919811 /nfs/dbraw/zinc/91/98/11/970919811.db2.gz DONZSLJMAKSSCH-SFHVURJKSA-N 1 0 401.470 3.973 20 30 HHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301613452 971002609 /nfs/dbraw/zinc/00/26/09/971002609.db2.gz AAPNXJKNBKSLFV-UHFFFAOYSA-N 1 0 419.407 3.981 20 30 HHEDRO N#Cc1cc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)ccc1C(F)(F)F ZINC000302185788 971201515 /nfs/dbraw/zinc/20/15/15/971201515.db2.gz HSCRRSUHHMDAAN-KRWDZBQOSA-N 1 0 416.447 3.886 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)C2)c(F)c1 ZINC000553102236 1013067792 /nfs/dbraw/zinc/06/77/92/1013067792.db2.gz HDMCRXQAINBVGU-OAQYLSRUSA-N 1 0 412.553 3.638 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000524265730 1013078651 /nfs/dbraw/zinc/07/86/51/1013078651.db2.gz SIOAGIFLUFUFRV-JOCHJYFZSA-N 1 0 409.530 3.896 20 30 HHEDRO N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)cc2)c1N ZINC000524296916 1013107909 /nfs/dbraw/zinc/10/79/09/1013107909.db2.gz UJUWQAXACQHHKJ-UHFFFAOYSA-N 1 0 414.513 3.954 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1Cl ZINC000303485749 971785074 /nfs/dbraw/zinc/78/50/74/971785074.db2.gz UVLFUVWFZPTLIF-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO CCCC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](CC)c1ccccc1 ZINC000303596860 971887939 /nfs/dbraw/zinc/88/79/39/971887939.db2.gz JFLBDCKHQPOPMX-JOCHJYFZSA-N 1 0 423.561 3.757 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)sc1Br ZINC000303688999 971964910 /nfs/dbraw/zinc/96/49/10/971964910.db2.gz UTGPXZFTBUCTHD-UHFFFAOYSA-N 1 0 423.174 3.581 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2cccc(OC)c2)N(C)C)c1 ZINC000303770299 972018174 /nfs/dbraw/zinc/01/81/74/972018174.db2.gz BVKIZRBWSKLLLL-HXUWFJFHSA-N 1 0 400.523 3.522 20 30 HHEDRO Cn1ccnc1[C@@](O)(CC[NH+]=C(Nc1ccccc1)N1CCCCC1)C(F)(F)F ZINC000303790385 972029558 /nfs/dbraw/zinc/02/95/58/972029558.db2.gz WEOGQZRGKAPULU-IBGZPJMESA-N 1 0 409.456 3.514 20 30 HHEDRO CC(C)[C@H]1CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@@H+]1C ZINC000553166577 1013126059 /nfs/dbraw/zinc/12/60/59/1013126059.db2.gz UOYFQQUQFBZAJM-HXUWFJFHSA-N 1 0 402.970 3.617 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000303790626 972029650 /nfs/dbraw/zinc/02/96/50/972029650.db2.gz WQTGKWHRISLJGZ-UHFFFAOYSA-N 1 0 414.481 3.643 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303793946 972031528 /nfs/dbraw/zinc/03/15/28/972031528.db2.gz VJUIKZOJRNSZBW-CVDCTZTESA-N 1 0 421.589 3.858 20 30 HHEDRO C[NH+](C)CCOc1cc(CNc2c(Br)cc(Cl)cc2C#N)ccn1 ZINC000553170216 1013131143 /nfs/dbraw/zinc/13/11/43/1013131143.db2.gz SPLJIFRNTPUJMF-UHFFFAOYSA-N 1 0 409.715 3.922 20 30 HHEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC000542212526 1013158905 /nfs/dbraw/zinc/15/89/05/1013158905.db2.gz OHQZLGDZGSUPJF-QGZVFWFLSA-N 1 0 413.319 3.761 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)c(F)c1 ZINC000553209643 1013171698 /nfs/dbraw/zinc/17/16/98/1013171698.db2.gz STCWOKVWGVLJLN-UHFFFAOYSA-N 1 0 416.456 3.941 20 30 HHEDRO C[C@H](NC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000303902281 972472348 /nfs/dbraw/zinc/47/23/48/972472348.db2.gz XTRVFZZSXAHCKV-SMDDNHRTSA-N 1 0 400.281 3.538 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(OCc3ccccc3)c2)cc1OC ZINC000303908724 972479452 /nfs/dbraw/zinc/47/94/52/972479452.db2.gz XUKOHDHNIAAHIE-UHFFFAOYSA-N 1 0 419.525 3.930 20 30 HHEDRO COC(=O)c1cc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1OC ZINC000303910663 972482738 /nfs/dbraw/zinc/48/27/38/972482738.db2.gz ZBQPQGPDOWKDGZ-NSHDSACASA-N 1 0 410.301 3.954 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000553288682 1013244784 /nfs/dbraw/zinc/24/47/84/1013244784.db2.gz KJJICVFLSRSZRL-PXNSSMCTSA-N 1 0 408.521 3.769 20 30 HHEDRO Cn1cc(C[NH2+]CCCc2nc(-c3ccc(F)cc3)no2)c(-c2ccc(C#N)cc2)n1 ZINC000542307425 1013264457 /nfs/dbraw/zinc/26/44/57/1013264457.db2.gz QBUVNICUNWZZPF-UHFFFAOYSA-N 1 0 416.460 3.870 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000542308550 1013266340 /nfs/dbraw/zinc/26/63/40/1013266340.db2.gz GHSZSIHGXIWVMO-JTHBVZDNSA-N 1 0 410.493 3.591 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000553334242 1013281410 /nfs/dbraw/zinc/28/14/10/1013281410.db2.gz HXPULINDRYGXAB-UHFFFAOYSA-N 1 0 414.937 3.884 20 30 HHEDRO O=C(c1ccc(F)c(F)c1)C(C(=S)Nc1ccccc1F)[n+]1cccc(CO)c1 ZINC000011170016 962022668 /nfs/dbraw/zinc/02/26/68/962022668.db2.gz PHBZKXRSVRBISG-UHFFFAOYSA-O 1 0 417.432 3.935 20 30 HHEDRO C=CC[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000553377470 1013312436 /nfs/dbraw/zinc/31/24/36/1013312436.db2.gz GJCPUXLTVBDNNH-RPBOFIJWSA-N 1 0 403.570 3.765 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000553397459 1013326688 /nfs/dbraw/zinc/32/66/88/1013326688.db2.gz RJCXUZXGXSUFSW-WHIOSMTNSA-N 1 0 409.574 3.628 20 30 HHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000553403323 1013330512 /nfs/dbraw/zinc/33/05/12/1013330512.db2.gz HSCBDLPBKZQKTI-UHFFFAOYSA-N 1 0 405.502 3.651 20 30 HHEDRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000553425262 1013344202 /nfs/dbraw/zinc/34/42/02/1013344202.db2.gz KNDINAHWVCJLSC-PSTGCABASA-N 1 0 418.364 3.632 20 30 HHEDRO C[N@H+](CCc1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1)C1CC1 ZINC000553464325 1013375521 /nfs/dbraw/zinc/37/55/21/1013375521.db2.gz HIDJFKUXZDSJBE-IBGZPJMESA-N 1 0 406.505 3.799 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000542425612 1013378069 /nfs/dbraw/zinc/37/80/69/1013378069.db2.gz TXYIDHJKFHXIHL-MOPGFXCFSA-N 1 0 422.529 3.710 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000017317674 963184937 /nfs/dbraw/zinc/18/49/37/963184937.db2.gz QKASLHOZORXYKY-UHFFFAOYSA-N 1 0 400.544 3.716 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404864 963460937 /nfs/dbraw/zinc/46/09/37/963460937.db2.gz DNARVXGIASQSPD-INIZCTEOSA-N 1 0 414.912 3.886 20 30 HHEDRO COc1ccccc1NC(=S)C(C(=O)c1ccc(C)s1)[n+]1cccc(CO)c1 ZINC000022686118 963697211 /nfs/dbraw/zinc/69/72/11/963697211.db2.gz CBDPIHLOCRDOFP-UHFFFAOYSA-O 1 0 413.544 3.896 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691088 963698063 /nfs/dbraw/zinc/69/80/63/963698063.db2.gz ZMNNLSLYVQKUIN-AWEZNQCLSA-O 1 0 409.984 3.959 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691234 963698083 /nfs/dbraw/zinc/69/80/83/963698083.db2.gz QHOFUBQLAHDGIB-INIZCTEOSA-O 1 0 405.490 3.522 20 30 HHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000022735644 963706020 /nfs/dbraw/zinc/70/60/20/963706020.db2.gz FCTJAOCHAJHVST-UHFFFAOYSA-O 1 0 419.570 3.854 20 30 HHEDRO Cc1cccc(C[NH+]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c1 ZINC000022920676 963740010 /nfs/dbraw/zinc/74/00/10/963740010.db2.gz CKEJUPBHHWTWFS-UHFFFAOYSA-N 1 0 422.598 3.953 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(F)c(F)c1F ZINC000023218090 963784262 /nfs/dbraw/zinc/78/42/62/963784262.db2.gz WNPRKRJTCLBJIU-UHFFFAOYSA-N 1 0 424.448 3.716 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603383 963858583 /nfs/dbraw/zinc/85/85/83/963858583.db2.gz QUBRFHHUONUXPI-UHFFFAOYSA-O 1 0 416.473 3.740 20 30 HHEDRO CC(C)([C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542519373 1013463732 /nfs/dbraw/zinc/46/37/32/1013463732.db2.gz DZYIWYQUSOXWSY-JOCHJYFZSA-N 1 0 412.484 3.980 20 30 HHEDRO COC[C@H]([NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccco1 ZINC000542559219 1013501713 /nfs/dbraw/zinc/50/17/13/1013501713.db2.gz PBCSRCBJJUIEAB-IBGZPJMESA-N 1 0 410.474 3.517 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000051472325 964582674 /nfs/dbraw/zinc/58/26/74/964582674.db2.gz WCVJTPWCMXVMLH-UYAOXDASSA-N 1 0 401.304 3.898 20 30 HHEDRO CCCCNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc(N(C)C)cc1 ZINC000027324792 964850862 /nfs/dbraw/zinc/85/08/62/964850862.db2.gz GESYCYUXHNAMKB-UHFFFAOYSA-O 1 0 400.568 3.767 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(C(=O)OC)c1 ZINC000052485673 964916232 /nfs/dbraw/zinc/91/62/32/964916232.db2.gz IUVRMGXXJVUAMT-UHFFFAOYSA-N 1 0 400.548 3.571 20 30 HHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@@H+]1CCc2ccccc2C1 ZINC000052532132 964924791 /nfs/dbraw/zinc/92/47/91/964924791.db2.gz GFRGVDXKFTZKHI-SFHVURJKSA-N 1 0 415.493 3.907 20 30 HHEDRO COc1ccc(CN2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2=O)cc1 ZINC000537985623 1013560729 /nfs/dbraw/zinc/56/07/29/1013560729.db2.gz CGLLRHCDJOYEJW-LUQTXGNESA-N 1 0 403.526 3.790 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccc4c(c3)OCO4)sc2C1 ZINC000054427369 965513296 /nfs/dbraw/zinc/51/32/96/965513296.db2.gz JZBQFXMJANEICO-AWEZNQCLSA-N 1 0 411.527 3.934 20 30 HHEDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058397047 965719168 /nfs/dbraw/zinc/71/91/68/965719168.db2.gz SFCJKSIHTZFZIA-UHFFFAOYSA-N 1 0 409.530 3.835 20 30 HHEDRO N#Cc1ccccc1OCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000055055690 965746419 /nfs/dbraw/zinc/74/64/19/965746419.db2.gz KQOMCYTXDBXPDB-UHFFFAOYSA-N 1 0 401.304 3.995 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000058580537 965793554 /nfs/dbraw/zinc/79/35/54/965793554.db2.gz ZYYKOEUBPPZVBS-JOCHJYFZSA-N 1 0 401.510 3.663 20 30 HHEDRO Cc1ccc(-c2nnc(CON=C(N)c3cccc(C[NH+]4CCCCC4)c3)o2)cc1 ZINC000060356011 966108513 /nfs/dbraw/zinc/10/85/13/966108513.db2.gz ZHSXSVWVEJANIZ-UHFFFAOYSA-N 1 0 405.502 3.868 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000032267986 966209989 /nfs/dbraw/zinc/20/99/89/966209989.db2.gz OOQYDRXNKRCIIA-OAQYLSRUSA-N 1 0 423.582 3.937 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000061398548 966450622 /nfs/dbraw/zinc/45/06/22/966450622.db2.gz NSZYQUGTCAEXBQ-UHFFFAOYSA-N 1 0 418.545 3.683 20 30 HHEDRO C=CCOc1ccccc1CN(C(=O)C[NH+](CC)CC)c1ccc2c(c1)OCCO2 ZINC000061757479 966542221 /nfs/dbraw/zinc/54/22/21/966542221.db2.gz XSACQSHFEXJWEJ-UHFFFAOYSA-N 1 0 410.514 3.898 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062046582 966606606 /nfs/dbraw/zinc/60/66/06/966606606.db2.gz DENSMJQEVYSHFU-MRXNPFEDSA-N 1 0 424.932 3.841 20 30 HHEDRO CCOc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)CCOCC2)cc1 ZINC000062241205 966629387 /nfs/dbraw/zinc/62/93/87/966629387.db2.gz RONQNDMZOBLOTB-SFHVURJKSA-N 1 0 407.514 3.622 20 30 HHEDRO COc1cc(OC)c(NC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000062375860 966652028 /nfs/dbraw/zinc/65/20/28/966652028.db2.gz URZVBILZDJIJQH-UHFFFAOYSA-N 1 0 416.909 3.825 20 30 HHEDRO CSc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000042643475 966819456 /nfs/dbraw/zinc/81/94/56/966819456.db2.gz FDHINOGFCVDSHG-SFHVURJKSA-N 1 0 408.571 3.815 20 30 HHEDRO CCOc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063404923 966845728 /nfs/dbraw/zinc/84/57/28/966845728.db2.gz MSEQANJHMZQYOS-LJQANCHMSA-N 1 0 406.530 3.935 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(C#N)cc1 ZINC000063754469 966947580 /nfs/dbraw/zinc/94/75/80/966947580.db2.gz VCSPTJJQMIPWAO-UHFFFAOYSA-N 1 0 422.554 3.847 20 30 HHEDRO CCOc1ccc(-c2noc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000044872350 967306510 /nfs/dbraw/zinc/30/65/10/967306510.db2.gz HIBOXQVLRYLDAO-UHFFFAOYSA-N 1 0 417.513 3.715 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)ccc1OC1CCCC1 ZINC000538153081 1013713545 /nfs/dbraw/zinc/71/35/45/1013713545.db2.gz LQTMDSHBFBCEEY-KRWDZBQOSA-N 1 0 407.514 3.855 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)ccc1OC1CCCC1 ZINC000538153082 1013713738 /nfs/dbraw/zinc/71/37/38/1013713738.db2.gz LQTMDSHBFBCEEY-QGZVFWFLSA-N 1 0 407.514 3.855 20 30 HHEDRO COc1ccc(-c2cnc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000065281149 967427623 /nfs/dbraw/zinc/42/76/23/967427623.db2.gz OQEIQRBIIWLZKM-UHFFFAOYSA-N 1 0 402.498 3.930 20 30 HHEDRO C=CCc1cc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000065290721 967429498 /nfs/dbraw/zinc/42/94/98/967429498.db2.gz GBFORDVGHDBFKL-QGZVFWFLSA-N 1 0 403.567 3.742 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000045768204 967549215 /nfs/dbraw/zinc/54/92/15/967549215.db2.gz VIEOKLORPYHHBE-MRXNPFEDSA-N 1 0 400.592 3.776 20 30 HHEDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1OC ZINC000538175816 1013734770 /nfs/dbraw/zinc/73/47/70/1013734770.db2.gz UEDCLORILBGUNF-SQJMNOBHSA-N 1 0 421.541 3.694 20 30 HHEDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000538177035 1013736690 /nfs/dbraw/zinc/73/66/90/1013736690.db2.gz ZDIVIONDAFRVOB-OFVILXPXSA-N 1 0 423.557 3.940 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccccc1 ZINC000538203454 1013758515 /nfs/dbraw/zinc/75/85/15/1013758515.db2.gz MSBFURBBHIFWIH-PKOBYXMFSA-N 1 0 406.530 3.707 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538209016 1013762559 /nfs/dbraw/zinc/76/25/59/1013762559.db2.gz WOHDMVYXXLLSKP-GJZGRUSLSA-N 1 0 422.554 3.913 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(N2CCCC2=O)c1 ZINC000538209014 1013762626 /nfs/dbraw/zinc/76/26/26/1013762626.db2.gz WOHDMVYXXLLSKP-CABCVRRESA-N 1 0 422.554 3.913 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000047083989 968050375 /nfs/dbraw/zinc/05/03/75/968050375.db2.gz YWGMXMDPVWJWAP-UHFFFAOYSA-N 1 0 415.497 3.631 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN([C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000554048918 1013773254 /nfs/dbraw/zinc/77/32/54/1013773254.db2.gz FARVIMOUFNKEGE-JOCHJYFZSA-N 1 0 408.933 3.525 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN([C@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000554048919 1013773537 /nfs/dbraw/zinc/77/35/37/1013773537.db2.gz FARVIMOUFNKEGE-QFIPXVFZSA-N 1 0 408.933 3.525 20 30 HHEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000538233298 1013781677 /nfs/dbraw/zinc/78/16/77/1013781677.db2.gz PVBNGZFSGRMTQW-GJJHYRHESA-N 1 0 400.485 3.772 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047783206 968311345 /nfs/dbraw/zinc/31/13/45/968311345.db2.gz QRRFMYZLPIESNT-CQSZACIVSA-N 1 0 416.576 3.698 20 30 HHEDRO COc1ccc(Br)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930126 968719400 /nfs/dbraw/zinc/71/94/00/968719400.db2.gz HBDPWVILTDGUBA-UHFFFAOYSA-N 1 0 416.319 3.533 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCS(=O)(=O)c3ccccc3)c2)c1 ZINC000065933466 968722930 /nfs/dbraw/zinc/72/29/30/968722930.db2.gz NPULJRHAWNZPFP-UHFFFAOYSA-N 1 0 406.507 3.701 20 30 HHEDRO Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c(C#N)c(C)c1C ZINC000065939871 968730613 /nfs/dbraw/zinc/73/06/13/968730613.db2.gz BQVAYGOYHNLIQT-UHFFFAOYSA-N 1 0 414.550 3.700 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000065975251 968746753 /nfs/dbraw/zinc/74/67/53/968746753.db2.gz FMIUZWHQPUINSZ-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000078876174 969020953 /nfs/dbraw/zinc/02/09/53/969020953.db2.gz VSQIDVJZZIFLDC-UHFFFAOYSA-N 1 0 401.576 3.585 20 30 HHEDRO N#Cc1ccc(NCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000097058564 969085590 /nfs/dbraw/zinc/08/55/90/969085590.db2.gz AXJLFKILBZNKAT-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO CCOc1ccccc1NC(=O)[C@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000097571230 969164890 /nfs/dbraw/zinc/16/48/90/969164890.db2.gz OTYQYFZVXRERLS-SFHVURJKSA-N 1 0 424.545 3.735 20 30 HHEDRO CCOc1ccccc1NC(=O)[C@@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000097571469 969165999 /nfs/dbraw/zinc/16/59/99/969165999.db2.gz ZAJAJQKWUFUBFO-GOSISDBHSA-N 1 0 424.545 3.735 20 30 HHEDRO C=CCOc1ccc(CNC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000554255475 1013878627 /nfs/dbraw/zinc/87/86/27/1013878627.db2.gz YTEPGNNFEHUFCP-JOCHJYFZSA-N 1 0 409.530 3.896 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000109577767 969537189 /nfs/dbraw/zinc/53/71/89/969537189.db2.gz HLWUSTGXQQIHAE-KRWDZBQOSA-N 1 0 400.544 3.964 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)c1C#N ZINC000554288687 1013895252 /nfs/dbraw/zinc/89/52/52/1013895252.db2.gz QAFYFDNHPIEXER-UHFFFAOYSA-N 1 0 413.953 4.218 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000110988534 969755073 /nfs/dbraw/zinc/75/50/73/969755073.db2.gz MMAZZGBCUJTWGN-SFHVURJKSA-N 1 0 419.460 3.956 20 30 HHEDRO C[C@H]1C[NH+](CC2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000110991028 969755454 /nfs/dbraw/zinc/75/54/54/969755454.db2.gz GPSAYGSZSYHBHO-PMACEKPBSA-N 1 0 422.573 3.559 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)c1C#N ZINC000111051080 969767403 /nfs/dbraw/zinc/76/74/03/969767403.db2.gz JEZOANAPNPZPST-NRFANRHFSA-N 1 0 423.536 3.604 20 30 HHEDRO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C ZINC000116401795 969891114 /nfs/dbraw/zinc/89/11/14/969891114.db2.gz FYENWRRWCXCUOJ-LJQANCHMSA-N 1 0 418.541 3.703 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000116862154 969926425 /nfs/dbraw/zinc/92/64/25/969926425.db2.gz LGUCIGLOXLLZCD-SFHVURJKSA-N 1 0 411.531 3.625 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NCc2ccon2)cc1 ZINC000131203438 969973841 /nfs/dbraw/zinc/97/38/41/969973841.db2.gz UJSFLSWSPDRKPX-UHFFFAOYSA-O 1 0 400.911 3.907 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000554404830 1013935247 /nfs/dbraw/zinc/93/52/47/1013935247.db2.gz AWBSEDCOKWZCNF-QFIPXVFZSA-N 1 0 424.545 3.838 20 30 HHEDRO C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1OC ZINC000208505079 970018698 /nfs/dbraw/zinc/01/86/98/970018698.db2.gz URLAAODZVDPUQM-XFFZJAGNSA-N 1 0 421.541 3.972 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000140229544 970069504 /nfs/dbraw/zinc/06/95/04/970069504.db2.gz PPELELWKDBNHAM-HXUWFJFHSA-N 1 0 417.557 3.896 20 30 HHEDRO COc1ccc([C@@H]([NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000218769552 970086423 /nfs/dbraw/zinc/08/64/23/970086423.db2.gz CPKMNTBCKAFZFY-QFIPXVFZSA-N 1 0 416.443 3.923 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)c1C#N ZINC000141233096 970104474 /nfs/dbraw/zinc/10/44/74/970104474.db2.gz DZEPGSDRFKILTJ-UHFFFAOYSA-N 1 0 402.498 3.656 20 30 HHEDRO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237026513 970209702 /nfs/dbraw/zinc/20/97/02/970209702.db2.gz NDEJLWLKTRCHLK-VWLOTQADSA-N 1 0 413.521 3.926 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)ccc1OC ZINC000237420195 970282631 /nfs/dbraw/zinc/28/26/31/970282631.db2.gz RKNOCFRPUIKPTI-QFIPXVFZSA-N 1 0 414.521 3.952 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000237806267 970371152 /nfs/dbraw/zinc/37/11/52/970371152.db2.gz FAWJCOUCVVINLF-UHFFFAOYSA-N 1 0 403.457 3.796 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2N2CCOCC2)c(-c2ccccc2)n1 ZINC000237831553 970377191 /nfs/dbraw/zinc/37/71/91/970377191.db2.gz FBBVXTNLFSWVJL-UHFFFAOYSA-N 1 0 401.514 3.590 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000554593168 1013985310 /nfs/dbraw/zinc/98/53/10/1013985310.db2.gz IYCJDCOTFJRHBI-UHFFFAOYSA-N 1 0 405.542 3.994 20 30 HHEDRO CC[C@@H](C)NC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000154471451 970443497 /nfs/dbraw/zinc/44/34/97/970443497.db2.gz JJSLPAHHKDFNFK-MRXNPFEDSA-O 1 0 400.568 3.684 20 30 HHEDRO C[N@H+](CCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000195603099 970544914 /nfs/dbraw/zinc/54/49/14/970544914.db2.gz CYVLDCRYAROPRH-UHFFFAOYSA-N 1 0 403.448 3.878 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)[NH+](C)C)cc1 ZINC000252002610 970552435 /nfs/dbraw/zinc/55/24/35/970552435.db2.gz NDSIAJAKQZYBNE-OAQYLSRUSA-N 1 0 410.587 3.952 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000261446875 970687954 /nfs/dbraw/zinc/68/79/54/970687954.db2.gz ONIOAJGFENOEBW-UHFFFAOYSA-N 1 0 409.505 3.985 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)CC1 ZINC000261462036 970700492 /nfs/dbraw/zinc/70/04/92/970700492.db2.gz QHXLTGBDWZLWNN-UHFFFAOYSA-N 1 0 414.550 3.620 20 30 HHEDRO CC(=O)Nc1cccc(OCCNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303973142 972560040 /nfs/dbraw/zinc/56/00/40/972560040.db2.gz GRROPJOHIXCPST-GFCCVEGCSA-N 1 0 409.317 3.996 20 30 HHEDRO COc1cccc(NC(=[NH2+])NCc2cc(Br)ccc2OC(F)F)c1 ZINC000303974005 972560323 /nfs/dbraw/zinc/56/03/23/972560323.db2.gz HJOQPLQLTXXQEH-UHFFFAOYSA-N 1 0 400.223 3.986 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000303985281 972568418 /nfs/dbraw/zinc/56/84/18/972568418.db2.gz SVDGXNIBJURVNK-GFCCVEGCSA-N 1 0 401.338 3.622 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000304465334 972599596 /nfs/dbraw/zinc/59/95/96/972599596.db2.gz BHGMPFWHFRZKKK-UHFFFAOYSA-N 1 0 420.435 3.707 20 30 HHEDRO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304478827 972601505 /nfs/dbraw/zinc/60/15/05/972601505.db2.gz IPVZVOYQWUQDAB-UHFFFAOYSA-N 1 0 422.451 3.672 20 30 HHEDRO Cc1nc2ccccc2n1CCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304505932 972602504 /nfs/dbraw/zinc/60/25/04/972602504.db2.gz UKSHEZALANSMAQ-UHFFFAOYSA-N 1 0 405.424 3.738 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)cc2)C[C@@H](C)O1 ZINC000304678016 972602884 /nfs/dbraw/zinc/60/28/84/972602884.db2.gz NYIFAHOEYDAVKW-QZTJIDSGSA-N 1 0 420.557 3.742 20 30 HHEDRO [NH2+]=C(NCCCC(=O)N1CCc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 ZINC000304757194 972603934 /nfs/dbraw/zinc/60/39/34/972603934.db2.gz ONZJYLNVUNNQPF-UHFFFAOYSA-N 1 0 406.408 3.681 20 30 HHEDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000554759127 1014040234 /nfs/dbraw/zinc/04/02/34/1014040234.db2.gz BOTNLTWDRDLCLB-UHFFFAOYSA-N 1 0 402.539 3.703 20 30 HHEDRO C[C@H](NC(=[NH2+])NCCc1cccc(C(=O)N(C)C)c1)c1ccc(Cl)cc1Cl ZINC000304809370 972606999 /nfs/dbraw/zinc/60/69/99/972606999.db2.gz VMYOILWQKRUAJC-ZDUSSCGKSA-N 1 0 407.345 3.903 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](O)COc2ccccc2Br)c1 ZINC000305092922 972610065 /nfs/dbraw/zinc/61/00/65/972610065.db2.gz YSKFYSAAYSFRRQ-MRXNPFEDSA-N 1 0 406.324 3.739 20 30 HHEDRO [NH2+]=C(NCc1nccn1CCc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000305242219 972611530 /nfs/dbraw/zinc/61/15/30/972611530.db2.gz RTAUZEINMICCTP-UHFFFAOYSA-N 1 0 403.408 3.951 20 30 HHEDRO N#Cc1ccc(Br)cc1N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000404215814 972883361 /nfs/dbraw/zinc/88/33/61/972883361.db2.gz XJBDIFWHOCQZFH-RTWAWAEBSA-N 1 0 412.331 3.800 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000409478423 972928060 /nfs/dbraw/zinc/92/80/60/972928060.db2.gz RLYNDURSVCTOJX-UHFFFAOYSA-N 1 0 410.331 3.913 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000409488934 972939723 /nfs/dbraw/zinc/93/97/23/972939723.db2.gz XAVKXDIJSKPONG-UGSOOPFHSA-N 1 0 411.449 3.547 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C#N)cc1 ZINC000554840668 1014070001 /nfs/dbraw/zinc/07/00/01/1014070001.db2.gz ATUKDLHJQRSXHA-ZDUSSCGKSA-N 1 0 407.455 3.879 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(C#N)cc1 ZINC000554844301 1014071952 /nfs/dbraw/zinc/07/19/52/1014071952.db2.gz SWASYBWJBYBWTG-JTSKRJEESA-N 1 0 410.949 3.816 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409562502 973015158 /nfs/dbraw/zinc/01/51/58/973015158.db2.gz RDIOUQMHPQBBHY-IJEWVQPXSA-N 1 0 415.481 3.603 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000409635609 973083124 /nfs/dbraw/zinc/08/31/24/973083124.db2.gz MURCSPIUGVOOEF-UHFFFAOYSA-N 1 0 413.525 3.728 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000409649271 973099547 /nfs/dbraw/zinc/09/95/47/973099547.db2.gz CBPZJKAEGZNCPH-PZJWPPBQSA-N 1 0 403.364 3.810 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cc(Br)cs1 ZINC000409796722 973271698 /nfs/dbraw/zinc/27/16/98/973271698.db2.gz SYWRKJFPKOHPBJ-UHFFFAOYSA-N 1 0 420.376 3.905 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000409827321 973298418 /nfs/dbraw/zinc/29/84/18/973298418.db2.gz ROPJHBOWIQPBJS-LJQANCHMSA-N 1 0 405.546 3.861 20 30 HHEDRO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)n2)c1 ZINC000409845726 973314432 /nfs/dbraw/zinc/31/44/32/973314432.db2.gz BIMVSDMBRJFWGM-UHFFFAOYSA-N 1 0 415.497 3.861 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000425988384 974100662 /nfs/dbraw/zinc/10/06/62/974100662.db2.gz FYEQSKKKYIWILQ-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176452 974286994 /nfs/dbraw/zinc/28/69/94/974286994.db2.gz MWHLXKCODAOJNV-HUUCEWRRSA-N 1 0 417.575 3.737 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000426638775 974576673 /nfs/dbraw/zinc/57/66/73/974576673.db2.gz SHVCQEGRVHGGHD-HDICACEKSA-N 1 0 415.582 3.858 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000426704024 974607026 /nfs/dbraw/zinc/60/70/26/974607026.db2.gz OTVMKDJAOVFZKM-UHFFFAOYSA-N 1 0 419.953 3.757 20 30 HHEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)C ZINC000426964020 974783355 /nfs/dbraw/zinc/78/33/55/974783355.db2.gz JMOHTSNIYIGBRE-UHFFFAOYSA-N 1 0 422.529 3.866 20 30 HHEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CC#Cc2ccc(Cl)cc2)C(C)C)cc1 ZINC000426999720 974811839 /nfs/dbraw/zinc/81/18/39/974811839.db2.gz LZOGEWOLQJHCII-JOCHJYFZSA-N 1 0 414.933 3.800 20 30 HHEDRO C[N@H+](CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1)Cc1ccccc1 ZINC000427010690 974822479 /nfs/dbraw/zinc/82/24/79/974822479.db2.gz XSNRTIIEFKURGE-UHFFFAOYSA-N 1 0 415.503 3.807 20 30 HHEDRO COCCCN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)C1CC[NH+](C)CC1 ZINC000427784052 975286263 /nfs/dbraw/zinc/28/62/63/975286263.db2.gz MVMMFOFPZFDVQF-UHFFFAOYSA-N 1 0 406.530 3.875 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000427826124 975311076 /nfs/dbraw/zinc/31/10/76/975311076.db2.gz ZSQALFRMIBCBDR-OAVHHTNSSA-N 1 0 401.557 3.789 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000427868024 975328838 /nfs/dbraw/zinc/32/88/38/975328838.db2.gz VSTLXNUMFYUUDX-AVYPCKFXSA-N 1 0 401.507 3.814 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c(F)cc1F ZINC000428190985 975518171 /nfs/dbraw/zinc/51/81/71/975518171.db2.gz IHBKXHNFFUMPSK-UHFFFAOYSA-N 1 0 422.273 3.803 20 30 HHEDRO N#CCCn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1ccccc1 ZINC000428707859 975999762 /nfs/dbraw/zinc/99/97/62/975999762.db2.gz IKTLKSKIIPLJBF-QFIPXVFZSA-N 1 0 413.525 3.858 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)nc1 ZINC000428809916 976088870 /nfs/dbraw/zinc/08/88/70/976088870.db2.gz WZZDNXGIMWWUTM-VQTJNVASSA-N 1 0 412.493 3.575 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1Cl ZINC000428992288 976272531 /nfs/dbraw/zinc/27/25/31/976272531.db2.gz JZUFIKLGFQIGGM-PLMTUMEDSA-N 1 0 402.970 3.557 20 30 HHEDRO C=CCOc1cccc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429054935 976341795 /nfs/dbraw/zinc/34/17/95/976341795.db2.gz KZWOZIMZNPABDX-OALUTQOASA-N 1 0 401.551 3.995 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429055278 976342450 /nfs/dbraw/zinc/34/24/50/976342450.db2.gz STLDZOPLRKOAKV-HDICACEKSA-N 1 0 414.550 3.700 20 30 HHEDRO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429363749 976632809 /nfs/dbraw/zinc/63/28/09/976632809.db2.gz DPQSKAKGZZBVRO-GJZGRUSLSA-N 1 0 404.942 3.508 20 30 HHEDRO Cc1cnccc1OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000429721811 977012612 /nfs/dbraw/zinc/01/26/12/977012612.db2.gz HMOGKLSQOQTXDY-UHFFFAOYSA-N 1 0 410.543 3.684 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1C#N ZINC000429723563 977013623 /nfs/dbraw/zinc/01/36/23/977013623.db2.gz NQTHJKRTRVSDFT-UEVCKROQSA-N 1 0 418.541 3.842 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1C#N ZINC000429723565 977014502 /nfs/dbraw/zinc/01/45/02/977014502.db2.gz NQTHJKRTRVSDFT-WWPVKYPJSA-N 1 0 418.541 3.842 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429724858 977014579 /nfs/dbraw/zinc/01/45/79/977014579.db2.gz XQUNJHZLYGBVEX-BGYRXZFFSA-N 1 0 407.562 3.952 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429805453 977080088 /nfs/dbraw/zinc/08/00/88/977080088.db2.gz IOPYCEXLFQGWHX-UHFFFAOYSA-N 1 0 407.562 3.952 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1 ZINC000429924981 977202148 /nfs/dbraw/zinc/20/21/48/977202148.db2.gz MIAPNOVFHGLQSE-UHFFFAOYSA-N 1 0 410.543 3.626 20 30 HHEDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000430185816 977377894 /nfs/dbraw/zinc/37/78/94/977377894.db2.gz KIKVCFFMYXBSRH-SFHVURJKSA-N 1 0 420.425 3.783 20 30 HHEDRO CCOc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(F)(F)F ZINC000430185661 977378151 /nfs/dbraw/zinc/37/81/51/977378151.db2.gz HSASHHKWOWPNBQ-KRWDZBQOSA-N 1 0 421.419 3.946 20 30 HHEDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(OCc2cccnc2)c1 ZINC000430186469 977378609 /nfs/dbraw/zinc/37/86/09/977378609.db2.gz NIMAXEUEMODKNM-JOCHJYFZSA-N 1 0 416.481 3.589 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292803 977453763 /nfs/dbraw/zinc/45/37/63/977453763.db2.gz JUQPDXXPGXULTE-RBUKOAKNSA-N 1 0 411.571 3.636 20 30 HHEDRO C=CCC[C@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000430346799 977491958 /nfs/dbraw/zinc/49/19/58/977491958.db2.gz YKJXVSXVHCISFY-UKILVPOCSA-N 1 0 407.558 3.972 20 30 HHEDRO C=CCC[C@@H](NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000430346798 977492260 /nfs/dbraw/zinc/49/22/60/977492260.db2.gz YKJXVSXVHCISFY-NOZRDPDXSA-N 1 0 407.558 3.972 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000430664975 977676040 /nfs/dbraw/zinc/67/60/40/977676040.db2.gz JSDZBBTWLRMEOL-DENIHFKCSA-N 1 0 408.542 3.972 20 30 HHEDRO COc1ccccc1N(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000430669384 977680339 /nfs/dbraw/zinc/68/03/39/977680339.db2.gz KJCYPPUDFGUIDW-UHFFFAOYSA-N 1 0 419.934 3.510 20 30 HHEDRO N#CC1(NC(=O)CO[C@@H]2CCCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000430795615 977762486 /nfs/dbraw/zinc/76/24/86/977762486.db2.gz VZBADYMRZLEWMN-HSZRJFAPSA-N 1 0 403.526 3.755 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000430861989 977820749 /nfs/dbraw/zinc/82/07/49/977820749.db2.gz CKLKPLWNKKGICC-IFMALSPDSA-N 1 0 405.546 3.637 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000430861992 977821028 /nfs/dbraw/zinc/82/10/28/977821028.db2.gz CKLKPLWNKKGICC-RBBKRZOGSA-N 1 0 405.546 3.637 20 30 HHEDRO C=CCN1C(=O)N(C[C@H]2CCC[N@@H+]2Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431265065 978150833 /nfs/dbraw/zinc/15/08/33/978150833.db2.gz GNMUHVSNUHUCBG-PKTZIBPZSA-N 1 0 403.526 3.713 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431266027 978151928 /nfs/dbraw/zinc/15/19/28/978151928.db2.gz YONCEEHYOZTOJZ-AGILITTLSA-N 1 0 417.553 3.959 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431266030 978151963 /nfs/dbraw/zinc/15/19/63/978151963.db2.gz YONCEEHYOZTOJZ-ZTCOLXNVSA-N 1 0 417.553 3.959 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431377985 978251691 /nfs/dbraw/zinc/25/16/91/978251691.db2.gz QTLQCGHBYKEHTE-PGRDOPGGSA-N 1 0 418.541 3.596 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000431399571 978274165 /nfs/dbraw/zinc/27/41/65/978274165.db2.gz AAFAFJQGOXYCNR-PGRDOPGGSA-N 1 0 406.530 3.777 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431671083 978424992 /nfs/dbraw/zinc/42/49/92/978424992.db2.gz BQSPZOYOVYCEDJ-RDPSFJRHSA-N 1 0 420.557 3.769 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCC(F)(F)F)c1 ZINC000431792957 978516536 /nfs/dbraw/zinc/51/65/36/978516536.db2.gz AJVFFQYZSXMMDX-UHFFFAOYSA-N 1 0 405.420 3.703 20 30 HHEDRO N#CCCC[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000431851849 978553006 /nfs/dbraw/zinc/55/30/06/978553006.db2.gz RZGOKYCNLRLMMG-XMMPIXPASA-N 1 0 419.573 3.933 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000432395099 978795109 /nfs/dbraw/zinc/79/51/09/978795109.db2.gz NNOYZDBRPKWUTO-UHFFFAOYSA-N 1 0 419.529 3.691 20 30 HHEDRO COC(=O)c1sc2[nH]c(C[NH2+][C@H](CCCC#N)c3ccccc3)nc(=O)c2c1C ZINC000433011221 979041113 /nfs/dbraw/zinc/04/11/13/979041113.db2.gz NFAFXVJTEUEGCT-OAHLLOKOSA-N 1 0 410.499 3.604 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000433010757 979041221 /nfs/dbraw/zinc/04/12/21/979041221.db2.gz LPKPYVMSEFBBOB-ZNKOEICNSA-N 1 0 408.546 3.806 20 30 HHEDRO C[N@H+](CCSCC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000433038993 979049482 /nfs/dbraw/zinc/04/94/82/979049482.db2.gz LXEFGPUURJYAGH-UHFFFAOYSA-N 1 0 405.527 3.548 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](C#N)CCc3ccccc3)CC2)c1 ZINC000433229735 979163762 /nfs/dbraw/zinc/16/37/62/979163762.db2.gz ZVSLSKVFKANTFX-DEOSSOPVSA-N 1 0 418.585 3.786 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c(-c2ccncc2)n1 ZINC000433304689 979226077 /nfs/dbraw/zinc/22/60/77/979226077.db2.gz NYNSDWYWHYEBNV-UHFFFAOYSA-N 1 0 423.904 3.616 20 30 HHEDRO N#CCCn1cc(CNC[C@H]2CCC[N@@H+]2CC2CCCCC2)c(-c2ccncc2)n1 ZINC000433336847 979246489 /nfs/dbraw/zinc/24/64/89/979246489.db2.gz QYGNNFYDQUIMAX-HSZRJFAPSA-N 1 0 406.578 3.993 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433361897 979256423 /nfs/dbraw/zinc/25/64/23/979256423.db2.gz ILTZIKPBWMTLQE-HXUWFJFHSA-N 1 0 406.530 3.548 20 30 HHEDRO CC(C)[NH+]1CCC(N2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)CC1 ZINC000433533339 979362689 /nfs/dbraw/zinc/36/26/89/979362689.db2.gz KGKOGLGFWFJUOC-UHFFFAOYSA-N 1 0 415.944 3.894 20 30 HHEDRO CCNC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000433746014 979541385 /nfs/dbraw/zinc/54/13/85/979541385.db2.gz XPKTVIDSAQMDKR-UHFFFAOYSA-N 1 0 422.533 3.604 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000433832806 979612030 /nfs/dbraw/zinc/61/20/30/979612030.db2.gz VGEGRIHCLPTXQZ-UHFFFAOYSA-N 1 0 424.549 3.909 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000434218870 979988696 /nfs/dbraw/zinc/98/86/96/979988696.db2.gz SXNQZKISOVFMGN-UHFFFAOYSA-N 1 0 400.567 3.664 20 30 HHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(C#N)cc1 ZINC000434327574 980092125 /nfs/dbraw/zinc/09/21/25/980092125.db2.gz QNYSQWCTQSBKME-OAQYLSRUSA-N 1 0 415.497 3.528 20 30 HHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000434778524 980394290 /nfs/dbraw/zinc/39/42/90/980394290.db2.gz VEYSYALYBRQVJO-PMACEKPBSA-N 1 0 421.541 3.756 20 30 HHEDRO N#CCSc1ccccc1NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000434801928 980408314 /nfs/dbraw/zinc/40/83/14/980408314.db2.gz IRFGMCBKONYSDK-UHFFFAOYSA-N 1 0 400.592 3.829 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434855562 980450161 /nfs/dbraw/zinc/45/01/61/980450161.db2.gz MDLXEWNIJBJTMK-HXUWFJFHSA-N 1 0 405.527 3.680 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434855561 980450304 /nfs/dbraw/zinc/45/03/04/980450304.db2.gz MDLXEWNIJBJTMK-FQEVSTJZSA-N 1 0 405.527 3.680 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434896508 980477321 /nfs/dbraw/zinc/47/73/21/980477321.db2.gz QWAHLUSVSZBSNW-TZIWHRDSSA-N 1 0 408.546 3.830 20 30 HHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000435025379 980580459 /nfs/dbraw/zinc/58/04/59/980580459.db2.gz ISRWIXVUWYDVHI-NOZRDPDXSA-N 1 0 403.526 3.760 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(-c2ccncc2)n1 ZINC000435133811 980664905 /nfs/dbraw/zinc/66/49/05/980664905.db2.gz TXRNFVCUYARGQV-UHFFFAOYSA-N 1 0 406.921 3.834 20 30 HHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000435135741 980666407 /nfs/dbraw/zinc/66/64/07/980666407.db2.gz UOVKPDYCTFGLCP-UHFFFAOYSA-N 1 0 415.545 3.531 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000435138895 980670506 /nfs/dbraw/zinc/67/05/06/980670506.db2.gz ULFOLNFVOSZZGL-UHFFFAOYSA-N 1 0 420.561 3.520 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435158224 980686621 /nfs/dbraw/zinc/68/66/21/980686621.db2.gz RADWQFUBWFWCIK-UHFFFAOYSA-N 1 0 411.449 3.507 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000435173402 980698161 /nfs/dbraw/zinc/69/81/61/980698161.db2.gz LFYBSZCAIBZDFB-UHFFFAOYSA-N 1 0 414.775 3.985 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435370221 980819672 /nfs/dbraw/zinc/81/96/72/980819672.db2.gz HZARUFNQRAYRKG-GHTZIAJQSA-N 1 0 415.497 3.608 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435370223 980819716 /nfs/dbraw/zinc/81/97/16/980819716.db2.gz HZARUFNQRAYRKG-RXVVDRJESA-N 1 0 415.497 3.608 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435375956 980825319 /nfs/dbraw/zinc/82/53/19/980825319.db2.gz XFAXVZHAWNYHTL-GHTZIAJQSA-N 1 0 415.497 3.608 20 30 HHEDRO N#Cc1ccc(SCC(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000435380403 980828275 /nfs/dbraw/zinc/82/82/75/980828275.db2.gz RBTZVOZTFFLGND-FQEVSTJZSA-N 1 0 417.538 3.933 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000435610014 980961221 /nfs/dbraw/zinc/96/12/21/980961221.db2.gz FENHUNXBZSXGLF-UHFFFAOYSA-N 1 0 400.526 3.938 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000435735368 981009209 /nfs/dbraw/zinc/00/92/09/981009209.db2.gz MIHWIIXVRVNJOQ-NRFANRHFSA-N 1 0 423.582 3.998 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000435810836 981040623 /nfs/dbraw/zinc/04/06/23/981040623.db2.gz UEWHFTUTTURJGI-UHFFFAOYSA-N 1 0 418.545 3.870 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000436060851 981183167 /nfs/dbraw/zinc/18/31/67/981183167.db2.gz GOCPVWJIZPCDJM-JOCHJYFZSA-N 1 0 403.526 3.942 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)C2)c(F)c1 ZINC000436232376 981261217 /nfs/dbraw/zinc/26/12/17/981261217.db2.gz OHTPVHVNXJHVIC-NRFANRHFSA-N 1 0 407.468 3.840 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436293347 981286487 /nfs/dbraw/zinc/28/64/87/981286487.db2.gz CVYJJLNULATJRC-NYVOZVTQSA-N 1 0 403.519 3.889 20 30 HHEDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OCCCC#N ZINC000436406003 981351408 /nfs/dbraw/zinc/35/14/08/981351408.db2.gz FWOJWJXUXHPEGM-QFBILLFUSA-N 1 0 400.441 3.951 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000448321816 981698780 /nfs/dbraw/zinc/69/87/80/981698780.db2.gz OLKQRIBRTIQNEX-OAQYLSRUSA-N 1 0 420.513 3.526 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437095758 981759003 /nfs/dbraw/zinc/75/90/03/981759003.db2.gz XJOLJKOFTZMWPJ-SFHVURJKSA-N 1 0 414.575 3.544 20 30 HHEDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437111202 981767379 /nfs/dbraw/zinc/76/73/79/981767379.db2.gz ZJWKTKNAZDTEDC-MYWSLZCHSA-N 1 0 408.502 3.961 20 30 HHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460369157 982145471 /nfs/dbraw/zinc/14/54/71/982145471.db2.gz IEXUBQSXQRQOGG-HXUWFJFHSA-N 1 0 405.546 3.943 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460380430 982158555 /nfs/dbraw/zinc/15/85/55/982158555.db2.gz NIJIJWNMLBBHML-UHFFFAOYSA-N 1 0 410.522 3.884 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000437738534 982328989 /nfs/dbraw/zinc/32/89/89/982328989.db2.gz SRHZYKDJKYXXOJ-UHFFFAOYSA-N 1 0 407.514 3.857 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460546466 982332999 /nfs/dbraw/zinc/33/29/99/982332999.db2.gz UUQQZRZMOOQBOQ-LJQANCHMSA-N 1 0 413.541 3.517 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)c1 ZINC000437773600 982347747 /nfs/dbraw/zinc/34/77/47/982347747.db2.gz MHNWEWZFYVLGLR-MBSDFSHPSA-N 1 0 419.525 3.819 20 30 HHEDRO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000460568043 982352489 /nfs/dbraw/zinc/35/24/89/982352489.db2.gz RPILWEKLUAASDG-JOCHJYFZSA-N 1 0 414.642 3.583 20 30 HHEDRO CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460585587 982370430 /nfs/dbraw/zinc/37/04/30/982370430.db2.gz LNDZLYQMZLCVQV-NRFANRHFSA-N 1 0 422.577 3.839 20 30 HHEDRO C=C(C)Cn1c(COCC)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460587173 982371689 /nfs/dbraw/zinc/37/16/89/982371689.db2.gz UQDUTBFYWWCMDC-DEOSSOPVSA-N 1 0 409.578 3.883 20 30 HHEDRO N#CCCn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000437840160 982397328 /nfs/dbraw/zinc/39/73/28/982397328.db2.gz IKIZLMWLUVWELG-OAQYLSRUSA-N 1 0 405.546 3.991 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000437954773 982485801 /nfs/dbraw/zinc/48/58/01/982485801.db2.gz NXQIPJMYLGHSAK-ODOSVJCGSA-N 1 0 423.488 3.813 20 30 HHEDRO C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CC)CC1 ZINC000460769240 982523169 /nfs/dbraw/zinc/52/31/69/982523169.db2.gz HMGSNPHSVUNXJI-UHFFFAOYSA-N 1 0 408.319 3.565 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460781846 982534945 /nfs/dbraw/zinc/53/49/45/982534945.db2.gz HHSYZWYKGHDFMZ-FQEVSTJZSA-N 1 0 423.561 3.747 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460788342 982541200 /nfs/dbraw/zinc/54/12/00/982541200.db2.gz UXYLULRKVRQGBO-QGZVFWFLSA-N 1 0 415.969 3.864 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460796287 982549358 /nfs/dbraw/zinc/54/93/58/982549358.db2.gz RKXSPIVQFFNYBT-QFIPXVFZSA-N 1 0 422.577 3.698 20 30 HHEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000438095328 982585056 /nfs/dbraw/zinc/58/50/56/982585056.db2.gz MQZVLLWGXUVULT-QGZVFWFLSA-N 1 0 400.404 3.859 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460937994 982675964 /nfs/dbraw/zinc/67/59/64/982675964.db2.gz PLDBWFWPXYAVQK-QGZVFWFLSA-N 1 0 401.942 3.856 20 30 HHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460943230 982680371 /nfs/dbraw/zinc/68/03/71/982680371.db2.gz JNSLBMCYILFDAK-JOCHJYFZSA-N 1 0 407.562 3.985 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460953729 982687408 /nfs/dbraw/zinc/68/74/08/982687408.db2.gz UCVFBNNBZIXNDQ-QFIPXVFZSA-N 1 0 423.561 3.821 20 30 HHEDRO CC(C)C1CCC([NH+]2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 ZINC000438549112 982888951 /nfs/dbraw/zinc/88/89/51/982888951.db2.gz YGJFYHNTIOJVRE-LYBXBRPPSA-N 1 0 400.592 3.557 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000438641551 982960807 /nfs/dbraw/zinc/96/08/07/982960807.db2.gz MRNXHAMOOVWUQN-UHFFFAOYSA-N 1 0 406.408 3.839 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)CC2)c1 ZINC000461453963 983119750 /nfs/dbraw/zinc/11/97/50/983119750.db2.gz ZHSCQTZZTXZVIF-RTWAWAEBSA-N 1 0 403.501 3.709 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc1 ZINC000438855436 983122064 /nfs/dbraw/zinc/12/20/64/983122064.db2.gz UXCQNGLQXBUMED-QHCPKHFHSA-N 1 0 406.530 3.958 20 30 HHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCSCc2ccccc2C#N)CC1 ZINC000438865406 983130410 /nfs/dbraw/zinc/13/04/10/983130410.db2.gz GIRUEJAKKDGIHH-SFHVURJKSA-N 1 0 423.586 3.711 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000461515143 983160445 /nfs/dbraw/zinc/16/04/45/983160445.db2.gz IGCXXJHCLFMSHC-UHFFFAOYSA-N 1 0 408.955 3.635 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)cnn1-c1cccc(C#N)c1 ZINC000439682438 983499283 /nfs/dbraw/zinc/49/92/83/983499283.db2.gz QAEOEHZKLYBSKY-IBGZPJMESA-N 1 0 408.550 3.892 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)CC1 ZINC000439691581 983504004 /nfs/dbraw/zinc/50/40/04/983504004.db2.gz GPOHROKZOYEUFC-UHFFFAOYSA-N 1 0 406.534 3.858 20 30 HHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)c2ccccc2)CC1 ZINC000440052164 983626004 /nfs/dbraw/zinc/62/60/04/983626004.db2.gz OBFGCTCGHWUUDH-JOCHJYFZSA-N 1 0 415.534 3.590 20 30 HHEDRO CCCc1c(NC(=O)c2ccccc2OCC[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000440084220 983637670 /nfs/dbraw/zinc/63/76/70/983637670.db2.gz VWKLXYCKJSXKAT-UHFFFAOYSA-N 1 0 417.513 3.889 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000440446754 983760200 /nfs/dbraw/zinc/76/02/00/983760200.db2.gz NBLHYTBRIQBXJE-UHFFFAOYSA-N 1 0 420.561 3.675 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1C#N ZINC000440911934 983968163 /nfs/dbraw/zinc/96/81/63/983968163.db2.gz UYMWMYIPTRHSRI-UHFFFAOYSA-N 1 0 412.509 3.718 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1 ZINC000440917034 983972480 /nfs/dbraw/zinc/97/24/80/983972480.db2.gz ZBONCZXASOMIJG-HXUWFJFHSA-N 1 0 416.481 3.527 20 30 HHEDRO C[N@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)CC(=O)NCC#N ZINC000440953286 983995311 /nfs/dbraw/zinc/99/53/11/983995311.db2.gz BWHBWJBQNKCKOV-IBGZPJMESA-N 1 0 405.420 3.787 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000440963992 984000351 /nfs/dbraw/zinc/00/03/51/984000351.db2.gz XBNQCOZVNSTGSS-PKOBYXMFSA-N 1 0 420.513 3.539 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441332380 984190242 /nfs/dbraw/zinc/19/02/42/984190242.db2.gz JVMWRYRIXMBUBT-IFMALSPDSA-N 1 0 421.541 3.869 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396164 984229398 /nfs/dbraw/zinc/22/93/98/984229398.db2.gz UDLKWAYNHSIEQF-OXQOHEQNSA-N 1 0 412.603 3.776 20 30 HHEDRO N#Cc1c(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCCC2 ZINC000441396375 984229637 /nfs/dbraw/zinc/22/96/37/984229637.db2.gz QOSZVIAJXDUFPU-OXQOHEQNSA-N 1 0 412.603 3.776 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441399348 984230768 /nfs/dbraw/zinc/23/07/68/984230768.db2.gz DTAGRPOSXLQDHA-LQWHRVPQSA-N 1 0 412.603 3.826 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441516506 984298275 /nfs/dbraw/zinc/29/82/75/984298275.db2.gz UJUDGKLBETXKNG-UHFFFAOYSA-N 1 0 401.514 3.952 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)c(C)c2ncccc12)C(C)C ZINC000441760480 984435573 /nfs/dbraw/zinc/43/55/73/984435573.db2.gz LMDKHWWYXQNNCH-OAQYLSRUSA-N 1 0 408.546 3.605 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000441785256 984451582 /nfs/dbraw/zinc/45/15/82/984451582.db2.gz GAWJYGGEVSRHIA-ROUUACIJSA-N 1 0 418.541 3.600 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)c1C#N ZINC000441998099 984585963 /nfs/dbraw/zinc/58/59/63/984585963.db2.gz NZJYDGHNNDSRBS-AZUAARDMSA-N 1 0 406.530 3.687 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462023978 985002233 /nfs/dbraw/zinc/00/22/33/985002233.db2.gz ACRQFUBUTXHJEZ-ZWKOTPCHSA-N 1 0 408.521 3.820 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000442668586 985143783 /nfs/dbraw/zinc/14/37/83/985143783.db2.gz AMSCEYDTGFGVOM-NRFANRHFSA-N 1 0 421.541 3.561 20 30 HHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCOc2cccc(C#N)c2)c2ccc(F)cc2)c1 ZINC000462174500 985153479 /nfs/dbraw/zinc/15/34/79/985153479.db2.gz HNHZUHWWVLCXPL-QHCPKHFHSA-N 1 0 424.497 3.859 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000443008461 985333163 /nfs/dbraw/zinc/33/31/63/985333163.db2.gz TZDIMIFYGXDGLI-CKEIUWERSA-N 1 0 415.481 3.603 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443126170 985393227 /nfs/dbraw/zinc/39/32/27/985393227.db2.gz YKFUYHVHUMGTBC-OAHLLOKOSA-N 1 0 403.935 3.716 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1cccs1 ZINC000443239726 985457633 /nfs/dbraw/zinc/45/76/33/985457633.db2.gz ZHFJIOVGYOOYMH-ACJLOTCBSA-N 1 0 409.964 3.635 20 30 HHEDRO Cn1cc(C[NH2+]Cc2cc(Br)cc3c2OCC3)c(-c2ccc(C#N)cc2)n1 ZINC000462522739 985472508 /nfs/dbraw/zinc/47/25/08/985472508.db2.gz CSBBAQPSLGDDRN-UHFFFAOYSA-N 1 0 423.314 3.946 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)ccc2OCc2ccccc2)CC1 ZINC000443311281 985486384 /nfs/dbraw/zinc/48/63/84/985486384.db2.gz XGHYGLWVDICXRC-UHFFFAOYSA-N 1 0 421.541 3.669 20 30 HHEDRO C[C@H](C(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462547884 985495894 /nfs/dbraw/zinc/49/58/94/985495894.db2.gz JLSYBXJRQKGTJM-ACRUOGEOSA-N 1 0 419.569 3.987 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1C ZINC000443384908 985543157 /nfs/dbraw/zinc/54/31/57/985543157.db2.gz KZHFCHUSQPNBKJ-XLIONFOSSA-N 1 0 420.513 3.620 20 30 HHEDRO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000462829577 985750982 /nfs/dbraw/zinc/75/09/82/985750982.db2.gz IEYWYNIPWLQFMT-UHFFFAOYSA-N 1 0 406.917 3.751 20 30 HHEDRO N#CCCn1cc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c(-c2ccccc2)n1 ZINC000462853693 985779225 /nfs/dbraw/zinc/77/92/25/985779225.db2.gz JQTDPFYWNXPRKE-QHCPKHFHSA-N 1 0 401.514 3.642 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017289 985973901 /nfs/dbraw/zinc/97/39/01/985973901.db2.gz ZPKDCZXSOGYJRT-NTKDMRAZSA-N 1 0 400.526 3.877 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017290 985973940 /nfs/dbraw/zinc/97/39/40/985973940.db2.gz ZPKDCZXSOGYJRT-YADARESESA-N 1 0 400.526 3.877 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017287 985974187 /nfs/dbraw/zinc/97/41/87/985974187.db2.gz ZPKDCZXSOGYJRT-CYFREDJKSA-N 1 0 400.526 3.877 20 30 HHEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)ccc1F ZINC000468276715 985976507 /nfs/dbraw/zinc/97/65/07/985976507.db2.gz ANEPLFFWPZPIFM-UHFFFAOYSA-N 1 0 417.282 3.706 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024040 985983073 /nfs/dbraw/zinc/98/30/73/985983073.db2.gz WCEQNFLFEWNABY-NTKDMRAZSA-N 1 0 418.541 3.632 20 30 HHEDRO COC(=O)c1ccccc1CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000463226535 986195955 /nfs/dbraw/zinc/19/59/55/986195955.db2.gz KLBQOBKDEYACHK-UHFFFAOYSA-N 1 0 411.527 3.690 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccncc3OCC(F)(F)F)CC2)cc1 ZINC000463237400 986205758 /nfs/dbraw/zinc/20/57/58/986205758.db2.gz PHCJGDDJHNHXEP-UHFFFAOYSA-N 1 0 404.436 3.649 20 30 HHEDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000444029617 986224288 /nfs/dbraw/zinc/22/42/88/986224288.db2.gz YSWUWEIUYDIJRT-IBGZPJMESA-N 1 0 408.502 3.579 20 30 HHEDRO N#CCCCn1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000444041528 986239024 /nfs/dbraw/zinc/23/90/24/986239024.db2.gz BLMFBFGTPYHJTN-UHFFFAOYSA-N 1 0 401.514 3.734 20 30 HHEDRO CC1CCC([N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000444193704 986371128 /nfs/dbraw/zinc/37/11/28/986371128.db2.gz LDZIMRWODGUDJA-ZNIKRAEXSA-N 1 0 421.545 3.742 20 30 HHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000444196929 986374964 /nfs/dbraw/zinc/37/49/64/986374964.db2.gz NGXWMQWFCPLRQB-SFHVURJKSA-N 1 0 417.985 3.555 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463429896 986401558 /nfs/dbraw/zinc/40/15/58/986401558.db2.gz LOPHOSPGLLSRIH-SQJMNOBHSA-N 1 0 405.542 3.639 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000468776522 986488585 /nfs/dbraw/zinc/48/85/85/986488585.db2.gz BEYSGPGEHXAWFP-XUZZJYLKSA-N 1 0 420.532 3.837 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)C[C@@H](C)O1 ZINC000468812231 986521640 /nfs/dbraw/zinc/52/16/40/986521640.db2.gz CLRCMYWFOXINTI-QZTJIDSGSA-N 1 0 422.529 3.565 20 30 HHEDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000444543486 986732987 /nfs/dbraw/zinc/73/29/87/986732987.db2.gz FKAKIGASEUKZKL-HXUWFJFHSA-N 1 0 415.493 3.779 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CCc2nc3cc(Br)ccc3s2)CC1 ZINC000463783380 986774563 /nfs/dbraw/zinc/77/45/63/986774563.db2.gz BZYJCLPGGDLNND-UHFFFAOYSA-N 1 0 408.365 3.758 20 30 HHEDRO N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000444641618 986827404 /nfs/dbraw/zinc/82/74/04/986827404.db2.gz GIVNRTZVRXBMRC-UHFFFAOYSA-N 1 0 409.559 3.621 20 30 HHEDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677696 986858738 /nfs/dbraw/zinc/85/87/38/986858738.db2.gz UOKCVIKAVGQNFQ-XZOQPEGZSA-N 1 0 406.526 3.929 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469161090 986885457 /nfs/dbraw/zinc/88/54/57/986885457.db2.gz ZQDPKLADTIOSQP-NRFANRHFSA-N 1 0 415.497 3.735 20 30 HHEDRO C=CCc1cc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc(OC)c1O ZINC000469161330 986886222 /nfs/dbraw/zinc/88/62/22/986886222.db2.gz KJBCXXXXJZPTEH-FQEVSTJZSA-N 1 0 416.468 3.688 20 30 HHEDRO Cn1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000444779628 986936564 /nfs/dbraw/zinc/93/65/64/986936564.db2.gz CPGAGXMVUNZNLI-UHFFFAOYSA-N 1 0 400.526 3.776 20 30 HHEDRO C=CC[C@H]1[N@H+](CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CCCC1(C)C ZINC000444781959 986938026 /nfs/dbraw/zinc/93/80/26/986938026.db2.gz PZHXYARIEDBMBH-JOCHJYFZSA-N 1 0 411.590 3.783 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4nccn4C)C3)sc2C1 ZINC000444791411 986946428 /nfs/dbraw/zinc/94/64/28/986946428.db2.gz BMFAGBNQRFAZDI-HZPDHXFCSA-N 1 0 411.575 3.686 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806737 986962089 /nfs/dbraw/zinc/96/20/89/986962089.db2.gz WZOUWWAEXWRFGO-IRXDYDNUSA-N 1 0 409.452 3.776 20 30 HHEDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000469261749 986980356 /nfs/dbraw/zinc/98/03/56/986980356.db2.gz WMTOISGTXBFUBQ-UHFFFAOYSA-N 1 0 412.536 3.892 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C1CC1 ZINC000469329867 987038384 /nfs/dbraw/zinc/03/83/84/987038384.db2.gz MJOHDWTVMGDYOV-JOCHJYFZSA-N 1 0 400.482 3.854 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)C2)n1 ZINC000469352048 987054168 /nfs/dbraw/zinc/05/41/68/987054168.db2.gz WLSKKNXJZXBUMW-WIYYLYMNSA-N 1 0 419.529 3.502 20 30 HHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000469437416 987123788 /nfs/dbraw/zinc/12/37/88/987123788.db2.gz YCGYCFRIHXSYEZ-DNQXCXABSA-N 1 0 420.557 3.798 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000469584937 987250637 /nfs/dbraw/zinc/25/06/37/987250637.db2.gz MEVOEFXHMBBZQA-QGZVFWFLSA-N 1 0 411.525 3.811 20 30 HHEDRO N#CCCCn1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000469775196 987425004 /nfs/dbraw/zinc/42/50/04/987425004.db2.gz KIOAZXDVYHCSFU-UHFFFAOYSA-N 1 0 401.514 3.986 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1 ZINC000469945764 987568825 /nfs/dbraw/zinc/56/88/25/987568825.db2.gz WNDZSUSJGNXUHM-UHFFFAOYSA-N 1 0 413.543 3.858 20 30 HHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000445568239 987631750 /nfs/dbraw/zinc/63/17/50/987631750.db2.gz KBPTURROWXSNDS-UHFFFAOYSA-N 1 0 401.514 3.920 20 30 HHEDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000470170600 988085995 /nfs/dbraw/zinc/08/59/95/988085995.db2.gz XRMGMHUGEYNVAC-MJGOQNOKSA-N 1 0 424.520 3.602 20 30 HHEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464135973 988256881 /nfs/dbraw/zinc/25/68/81/988256881.db2.gz KIQCILOXPRGXEJ-GOSISDBHSA-N 1 0 422.577 3.797 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)CC2)c1 ZINC000470552731 988565849 /nfs/dbraw/zinc/56/58/49/988565849.db2.gz ZQKCTEIAFVBGKL-JWQCQUIFSA-N 1 0 416.569 3.806 20 30 HHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470555098 988568736 /nfs/dbraw/zinc/56/87/36/988568736.db2.gz FWXFKKUJTOUKFU-HDICACEKSA-N 1 0 411.550 3.654 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464571309 988747906 /nfs/dbraw/zinc/74/79/06/988747906.db2.gz OIFOKCAMPXLSPK-UHFFFAOYSA-N 1 0 407.514 3.837 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000464643406 988822906 /nfs/dbraw/zinc/82/29/06/988822906.db2.gz NAUAXOQZYNRTMR-FQEVSTJZSA-N 1 0 407.562 3.885 20 30 HHEDRO COc1cc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000464698976 988908084 /nfs/dbraw/zinc/90/80/84/988908084.db2.gz IHLKRIURGPILAF-OAQYLSRUSA-N 1 0 417.431 3.638 20 30 HHEDRO COCCCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000464721840 988938019 /nfs/dbraw/zinc/93/80/19/988938019.db2.gz ZWHNWBQUVUHSOJ-UHFFFAOYSA-N 1 0 421.541 3.710 20 30 HHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000464733060 988953336 /nfs/dbraw/zinc/95/33/36/988953336.db2.gz HZEUUTPSCAQXGG-INIZCTEOSA-N 1 0 406.452 3.824 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000464747506 988967268 /nfs/dbraw/zinc/96/72/68/988967268.db2.gz RPJGLTZXBQZRJZ-UHFFFAOYSA-N 1 0 405.498 3.596 20 30 HHEDRO COc1cc(CN2CC[NH+](CCOC(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000470977123 989040879 /nfs/dbraw/zinc/04/08/79/989040879.db2.gz UQTVHBKBEFQRDA-UHFFFAOYSA-N 1 0 423.557 3.688 20 30 HHEDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1(C)C ZINC000464810186 989044554 /nfs/dbraw/zinc/04/45/54/989044554.db2.gz DPRPWOCVCUJDNA-XXBNENTESA-N 1 0 412.534 3.692 20 30 HHEDRO CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1(C)C ZINC000464810185 989044854 /nfs/dbraw/zinc/04/48/54/989044854.db2.gz DPRPWOCVCUJDNA-WMZHIEFXSA-N 1 0 412.534 3.692 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470991231 989054902 /nfs/dbraw/zinc/05/49/02/989054902.db2.gz CVGTWKIRQPLGAN-ILWGZMRPSA-N 1 0 420.532 3.525 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464829316 989068286 /nfs/dbraw/zinc/06/82/86/989068286.db2.gz FUIIKFYLDQMHIR-GGAORHGYSA-N 1 0 404.558 3.776 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000464854986 989109135 /nfs/dbraw/zinc/10/91/35/989109135.db2.gz HNHQUEBJJIFHNZ-RTBURBONSA-N 1 0 407.514 3.888 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@@H+](C)CC23CCCCC3)c1C#N ZINC000471038080 989112994 /nfs/dbraw/zinc/11/29/94/989112994.db2.gz NZTISHKBEITKSL-UHFFFAOYSA-N 1 0 419.573 3.855 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000471214557 989356635 /nfs/dbraw/zinc/35/66/35/989356635.db2.gz BZJLTOGNHUNXKK-GOSISDBHSA-N 1 0 406.530 3.742 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000471287802 989444342 /nfs/dbraw/zinc/44/43/42/989444342.db2.gz PGELSKIKYMOCGZ-NRFANRHFSA-N 1 0 415.493 3.982 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000471287873 989445374 /nfs/dbraw/zinc/44/53/74/989445374.db2.gz LNZBICSHVZVQPV-NRFANRHFSA-N 1 0 415.493 3.982 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)c1ccccc1 ZINC000471369465 989543388 /nfs/dbraw/zinc/54/33/88/989543388.db2.gz ODVSPQIQEHVMQG-DHIUTWEWSA-N 1 0 419.573 3.677 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465201013 989545651 /nfs/dbraw/zinc/54/56/51/989545651.db2.gz SGNSYLWVFCBXIF-INIZCTEOSA-N 1 0 422.529 3.568 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)C2)n1 ZINC000471467930 989661601 /nfs/dbraw/zinc/66/16/01/989661601.db2.gz QDIMSWPCLTXEGV-OFNKIYASSA-N 1 0 419.573 3.505 20 30 HHEDRO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471573043 989774725 /nfs/dbraw/zinc/77/47/25/989774725.db2.gz JDGLDIUQAFTFLQ-APWZRJJASA-N 1 0 404.436 3.728 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000471813767 989995621 /nfs/dbraw/zinc/99/56/21/989995621.db2.gz XTPWLBKRFRMWSP-MAUKXSAKSA-N 1 0 410.331 3.784 20 30 HHEDRO CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000466352224 991616465 /nfs/dbraw/zinc/61/64/65/991616465.db2.gz JTPWPFOYHBGMHM-NRFANRHFSA-N 1 0 414.937 3.673 20 30 HHEDRO C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000466380422 991665290 /nfs/dbraw/zinc/66/52/90/991665290.db2.gz AZWZXVHFHXCADN-QGZVFWFLSA-N 1 0 414.937 3.752 20 30 HHEDRO C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000466436643 991725058 /nfs/dbraw/zinc/72/50/58/991725058.db2.gz OIARFJZFYCIOEQ-INIZCTEOSA-N 1 0 400.473 3.713 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000466597871 991914432 /nfs/dbraw/zinc/91/44/32/991914432.db2.gz BMJJBNYOUATIBM-LJQANCHMSA-N 1 0 407.518 3.892 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ncccc1OCCCC#N ZINC000466624000 991940335 /nfs/dbraw/zinc/94/03/35/991940335.db2.gz ZMPHHQBKNBAXEJ-UHFFFAOYSA-N 1 0 422.533 3.930 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000466971548 992283081 /nfs/dbraw/zinc/28/30/81/992283081.db2.gz SGXBYYWTDZTDTN-IBGZPJMESA-N 1 0 416.529 3.578 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1Cl ZINC000467208433 992533148 /nfs/dbraw/zinc/53/31/48/992533148.db2.gz SFHIMBJRKNRUMC-QUCCMNQESA-N 1 0 402.970 3.842 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)C(C)C ZINC000467518534 992795790 /nfs/dbraw/zinc/79/57/90/992795790.db2.gz MNIDZZPWGBURMU-APWZRJJASA-N 1 0 424.511 3.724 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000467718461 992972023 /nfs/dbraw/zinc/97/20/23/992972023.db2.gz PNAVUDCJMPHHKS-IBGZPJMESA-N 1 0 424.541 3.890 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000472165115 993213204 /nfs/dbraw/zinc/21/32/04/993213204.db2.gz VXKNTFFEKQSEFM-HSZRJFAPSA-N 1 0 406.530 3.875 20 30 HHEDRO CCOC[C@H]1CCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000472233416 993261953 /nfs/dbraw/zinc/26/19/53/993261953.db2.gz PWLFMPWZKNRTNQ-IBGZPJMESA-N 1 0 412.534 3.695 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCCC3(CCOCC3)C2)c1C#N ZINC000472233189 993262099 /nfs/dbraw/zinc/26/20/99/993262099.db2.gz LCXRARJXRFPYQQ-UHFFFAOYSA-N 1 0 424.545 3.839 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472315000 993326961 /nfs/dbraw/zinc/32/69/61/993326961.db2.gz RKQRDZHWMBXVMA-IFMALSPDSA-N 1 0 422.573 3.905 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472459639 993461461 /nfs/dbraw/zinc/46/14/61/993461461.db2.gz OIYPONPNOSPWBY-MJGOQNOKSA-N 1 0 400.592 3.683 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000472574343 993542305 /nfs/dbraw/zinc/54/23/05/993542305.db2.gz MBDARPDIRRTFEC-QUCCMNQESA-N 1 0 414.431 3.678 20 30 HHEDRO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000480745734 993612827 /nfs/dbraw/zinc/61/28/27/993612827.db2.gz WXKMNNNABJVLIV-QFIPXVFZSA-N 1 0 404.514 3.526 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000472703078 993625598 /nfs/dbraw/zinc/62/55/98/993625598.db2.gz ULSCWKKRFQYHAM-JOCHJYFZSA-N 1 0 406.530 3.731 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000480787592 993655428 /nfs/dbraw/zinc/65/54/28/993655428.db2.gz DQZMLZHAWNCKJE-IRXDYDNUSA-N 1 0 417.579 3.585 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000472746199 993678549 /nfs/dbraw/zinc/67/85/49/993678549.db2.gz FFTMYHZOUHTGSP-ROUUACIJSA-N 1 0 404.580 3.903 20 30 HHEDRO C=CCC[C@@H](O)C[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000472773870 993714331 /nfs/dbraw/zinc/71/43/31/993714331.db2.gz GHJWQZPDVFAYOS-MAUKXSAKSA-N 1 0 424.467 3.761 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480855793 993727969 /nfs/dbraw/zinc/72/79/69/993727969.db2.gz IVIONZFHAMGODL-VXKWHMMOSA-N 1 0 409.555 3.542 20 30 HHEDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H](C)C1 ZINC000481169435 994000290 /nfs/dbraw/zinc/00/02/90/994000290.db2.gz CBQFORXYBGEDEX-IIMDRIAPSA-N 1 0 412.578 3.770 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185179 994016316 /nfs/dbraw/zinc/01/63/16/994016316.db2.gz WDMKSKISEKVRPT-CTUHWIOQSA-N 1 0 402.542 3.554 20 30 HHEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184755 994016708 /nfs/dbraw/zinc/01/67/08/994016708.db2.gz FLNKXXVDEOVSJW-DPLHUUCSSA-N 1 0 404.558 3.822 20 30 HHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000481189111 994021241 /nfs/dbraw/zinc/02/12/41/994021241.db2.gz JRNTYXNGUROMBB-DBXWQHBBSA-N 1 0 412.578 3.914 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000481338046 994158709 /nfs/dbraw/zinc/15/87/09/994158709.db2.gz CUABQGOALUWDOK-UHFFFAOYSA-N 1 0 412.534 3.524 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473429243 994280346 /nfs/dbraw/zinc/28/03/46/994280346.db2.gz CAYXSKJSEZUFEM-KPRXVCGWSA-N 1 0 415.553 3.514 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503784 994353106 /nfs/dbraw/zinc/35/31/06/994353106.db2.gz MULMWOPSUVCXTH-NLFFAJNJSA-N 1 0 403.526 3.840 20 30 HHEDRO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000473570955 994438032 /nfs/dbraw/zinc/43/80/32/994438032.db2.gz MREPPDOZOWRFAJ-HSZRJFAPSA-N 1 0 422.960 3.958 20 30 HHEDRO C=C(C)[C@H](N[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617676 994476990 /nfs/dbraw/zinc/47/69/90/994476990.db2.gz WFMQIUDVTHNFMG-MONBJTKQSA-N 1 0 413.512 3.951 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000481649664 994512741 /nfs/dbraw/zinc/51/27/41/994512741.db2.gz HBAKRVKTXFJFDN-ARNLJNQMSA-N 1 0 414.553 3.514 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000473674275 994563710 /nfs/dbraw/zinc/56/37/10/994563710.db2.gz HPVJWIANSJECRJ-UHFFFAOYSA-N 1 0 421.545 3.888 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000481750448 994603889 /nfs/dbraw/zinc/60/38/89/994603889.db2.gz PQLBXBQPHGOAMN-HXUWFJFHSA-N 1 0 416.294 3.817 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481759338 994612356 /nfs/dbraw/zinc/61/23/56/994612356.db2.gz GFBQXSJYCYPMPE-RTWAWAEBSA-N 1 0 412.534 3.740 20 30 HHEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000481834090 994683836 /nfs/dbraw/zinc/68/38/36/994683836.db2.gz BIKZHWSCIUXIHL-IBGZPJMESA-N 1 0 414.347 3.890 20 30 HHEDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481928915 994800836 /nfs/dbraw/zinc/80/08/36/994800836.db2.gz SXHOMSQYPZEHON-XMMPIXPASA-N 1 0 402.542 3.784 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)C(C)C ZINC000473887564 994837507 /nfs/dbraw/zinc/83/75/07/994837507.db2.gz WNOACOSAGFNOEF-JOCHJYFZSA-N 1 0 417.569 3.603 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)CSc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482009342 994914727 /nfs/dbraw/zinc/91/47/27/994914727.db2.gz KGADPWPCQNGYJM-GGAORHGYSA-N 1 0 407.539 3.753 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000482132854 995082988 /nfs/dbraw/zinc/08/29/88/995082988.db2.gz IQQUVDIHWGFLLU-HXUWFJFHSA-N 1 0 408.546 3.899 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000482218100 995203105 /nfs/dbraw/zinc/20/31/05/995203105.db2.gz QBKOCNSPWJHBDO-IBGZPJMESA-N 1 0 421.541 3.732 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482478911 995484723 /nfs/dbraw/zinc/48/47/23/995484723.db2.gz OJWZXVBPSZVSBC-LAUBAEHRSA-N 1 0 406.534 3.787 20 30 HHEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1Oc1ccccc1 ZINC000482495061 995504586 /nfs/dbraw/zinc/50/45/86/995504586.db2.gz HARKSMOJSPGCST-GVAUOCQISA-N 1 0 405.542 3.737 20 30 HHEDRO CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474622047 995571457 /nfs/dbraw/zinc/57/14/57/995571457.db2.gz KWDWELWXCLLLBJ-QGZVFWFLSA-N 1 0 400.429 3.898 20 30 HHEDRO CC(C)NC(=O)Nc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482610674 995608410 /nfs/dbraw/zinc/60/84/10/995608410.db2.gz WGZVQBCAWLUPBQ-UHFFFAOYSA-N 1 0 419.529 3.505 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000482612564 995610074 /nfs/dbraw/zinc/61/00/74/995610074.db2.gz WLGGZCOIJOCQIY-NZQKXSOJSA-N 1 0 406.505 3.893 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000482632889 995627238 /nfs/dbraw/zinc/62/72/38/995627238.db2.gz HZLFQVYSKUGFCO-UHFFFAOYSA-N 1 0 420.513 3.671 20 30 HHEDRO C=CCN1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000482653365 995647133 /nfs/dbraw/zinc/64/71/33/995647133.db2.gz XIMFKQSGUQXZPZ-IBGZPJMESA-N 1 0 419.635 3.989 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000482688363 995680307 /nfs/dbraw/zinc/68/03/07/995680307.db2.gz CSUADZDBICWUAY-UHFFFAOYSA-N 1 0 411.546 3.697 20 30 HHEDRO C=C(C)COCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474805422 995717339 /nfs/dbraw/zinc/71/73/39/995717339.db2.gz TYBVFVCHEUZHTO-IEBWSBKVSA-N 1 0 413.484 3.980 20 30 HHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482888852 995820037 /nfs/dbraw/zinc/82/00/37/995820037.db2.gz LIQZPNZFJGSSEY-JMUQELJHSA-N 1 0 407.537 3.561 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482893400 995823376 /nfs/dbraw/zinc/82/33/76/995823376.db2.gz ZTSKJDJNJNDVMQ-RHSMWYFYSA-N 1 0 419.497 3.560 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000482932846 995862147 /nfs/dbraw/zinc/86/21/47/995862147.db2.gz PBQCEYILOWDSAG-NLWGTHIKSA-N 1 0 415.607 3.571 20 30 HHEDRO C=CCc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000475101389 995922393 /nfs/dbraw/zinc/92/23/93/995922393.db2.gz CNUDMYLYKWEQBQ-JOCHJYFZSA-N 1 0 423.557 3.848 20 30 HHEDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000483019148 995922913 /nfs/dbraw/zinc/92/29/13/995922913.db2.gz ULIKJMOITCTKER-QHCPKHFHSA-N 1 0 412.534 3.838 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1OCC(F)(F)F ZINC000483039059 995935162 /nfs/dbraw/zinc/93/51/62/995935162.db2.gz IVYRACZXSUBHFA-UHFFFAOYSA-N 1 0 410.440 3.982 20 30 HHEDRO CC(C)C[C@@](C)([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(Br)c1 ZINC000483044209 995937582 /nfs/dbraw/zinc/93/75/82/995937582.db2.gz RGPWQHHAHIXASL-HXUWFJFHSA-N 1 0 419.367 3.956 20 30 HHEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@@H]1CCC(C)(C)C1 ZINC000483125061 995990709 /nfs/dbraw/zinc/99/07/09/995990709.db2.gz RETJACVTQOQBTR-MSOLQXFVSA-N 1 0 412.578 3.867 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)CO)c1C#N ZINC000483136619 995996296 /nfs/dbraw/zinc/99/62/96/995996296.db2.gz SCLJUARTEARTQS-HNNXBMFYSA-N 1 0 412.509 3.526 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483275445 996075372 /nfs/dbraw/zinc/07/53/72/996075372.db2.gz ZDUSQGXPSHMOMY-INIZCTEOSA-N 1 0 414.811 3.941 20 30 HHEDRO CCN1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H]1c1ncc[nH]1 ZINC000475355489 996086887 /nfs/dbraw/zinc/08/68/87/996086887.db2.gz VTCGACAKIGOFKH-QHCPKHFHSA-N 1 0 401.514 3.739 20 30 HHEDRO CN(C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000483477347 996205489 /nfs/dbraw/zinc/20/54/89/996205489.db2.gz REDJIPHRVMCNOF-DHIUTWEWSA-N 1 0 408.590 3.658 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)CC2(C#N)CCCCC2)cc1 ZINC000475550421 996214801 /nfs/dbraw/zinc/21/48/01/996214801.db2.gz SMEAGVKBIRXKDB-IBGZPJMESA-N 1 0 403.592 3.954 20 30 HHEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)ccc1OC ZINC000475619886 996253140 /nfs/dbraw/zinc/25/31/40/996253140.db2.gz DKVJMIKJDGRPFI-HXUWFJFHSA-N 1 0 414.550 3.828 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000475666316 996287669 /nfs/dbraw/zinc/28/76/69/996287669.db2.gz IDAGWUPVLMDLGE-RUZDIDTESA-N 1 0 405.542 3.620 20 30 HHEDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000483724334 996350696 /nfs/dbraw/zinc/35/06/96/996350696.db2.gz KVJYPGACQITRQK-RTWAWAEBSA-N 1 0 412.509 3.650 20 30 HHEDRO C[C@H]1[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000475807930 996383661 /nfs/dbraw/zinc/38/36/61/996383661.db2.gz CSOKJNCKTCPNHA-NZQKXSOJSA-N 1 0 402.542 3.576 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000483879555 996444609 /nfs/dbraw/zinc/44/46/09/996444609.db2.gz KNYIPQINVARTIY-UHFFFAOYSA-N 1 0 414.550 3.702 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000476048952 996566543 /nfs/dbraw/zinc/56/65/43/996566543.db2.gz IFJXPJPJKYJNIH-VQIMIIECSA-N 1 0 402.420 3.785 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000476432277 996902312 /nfs/dbraw/zinc/90/23/12/996902312.db2.gz 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HHEDRO C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237566 997618659 /nfs/dbraw/zinc/61/86/59/997618659.db2.gz ZWBNPCBZNIDHTM-APTRMMRNSA-N 1 0 402.542 3.554 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(F)cc1Br ZINC000485471589 997918953 /nfs/dbraw/zinc/91/89/53/997918953.db2.gz ZCUUUBDZQXIDKD-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(OCCc4ccccc4)CC3)C2=O)cc1 ZINC000485541237 997997033 /nfs/dbraw/zinc/99/70/33/997997033.db2.gz HLIVJUUORPWBLR-DEOSSOPVSA-N 1 0 403.526 3.777 20 30 HHEDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000477484347 998205032 /nfs/dbraw/zinc/20/50/32/998205032.db2.gz LMBGEQZSVXIATH-UHFFFAOYSA-N 1 0 405.523 3.765 20 30 HHEDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485804856 998273449 /nfs/dbraw/zinc/27/34/49/998273449.db2.gz JLKOXLXWQHMLRV-IEBWSBKVSA-N 1 0 407.283 3.940 20 30 HHEDRO C=C(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccc(F)c(F)c1 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CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000495653924 1001057699 /nfs/dbraw/zinc/05/76/99/1001057699.db2.gz IWHMPRVKDUZQIZ-LJQANCHMSA-N 1 0 422.598 3.713 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000495671559 1001060230 /nfs/dbraw/zinc/06/02/30/1001060230.db2.gz ODTOOUSGBPCLDB-PZJWPPBQSA-N 1 0 411.596 3.968 20 30 HHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000506246713 1001304361 /nfs/dbraw/zinc/30/43/61/1001304361.db2.gz DHUYHPFMNONFMZ-UHFFFAOYSA-N 1 0 417.962 3.541 20 30 HHEDRO COc1cccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1OC(F)F ZINC000506257990 1001312549 /nfs/dbraw/zinc/31/25/49/1001312549.db2.gz DGSFDVWHQIGNAT-UHFFFAOYSA-N 1 0 401.457 3.876 20 30 HHEDRO C[N@@H+]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H](c2ccccc2)C1 ZINC000497415500 1001350372 /nfs/dbraw/zinc/35/03/72/1001350372.db2.gz HILFWNQMAQCSOJ-JWQCQUIFSA-N 1 0 411.505 3.965 20 30 HHEDRO COc1ccc(CN2CCN(c3ncnc4sccc43)CC2)cc1OCCCC#N ZINC000506352106 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CC[NH+](CC)C[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000498801505 1002187248 /nfs/dbraw/zinc/18/72/48/1002187248.db2.gz PPCIUCKGRBQFAO-QGZVFWFLSA-N 1 0 424.570 3.749 20 30 HHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(CC#N)cc3)c(OCC)c2)CC1 ZINC000507601898 1002208553 /nfs/dbraw/zinc/20/85/53/1002208553.db2.gz AWAJKWUKNNBHBM-UHFFFAOYSA-N 1 0 406.530 3.936 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000507645417 1002246491 /nfs/dbraw/zinc/24/64/91/1002246491.db2.gz QVOGACSJKDCVMU-UHFFFAOYSA-N 1 0 408.546 3.625 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000498947973 1002346375 /nfs/dbraw/zinc/34/63/75/1002346375.db2.gz ALIGSOPUMVMTKM-IBGZPJMESA-N 1 0 423.479 3.597 20 30 HHEDRO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507850833 1002389416 /nfs/dbraw/zinc/38/94/16/1002389416.db2.gz YWTSKPNQYMTKDJ-YEFOHOTDSA-N 1 0 422.525 3.883 20 30 HHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N 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/nfs/dbraw/zinc/90/38/26/1002903826.db2.gz MZQLWTAWYGXZND-IBGZPJMESA-N 1 0 422.577 3.747 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000508464409 1002949498 /nfs/dbraw/zinc/94/94/98/1002949498.db2.gz MANVPWVHLOKPNW-UHFFFAOYSA-N 1 0 421.520 3.813 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000499581032 1002958567 /nfs/dbraw/zinc/95/85/67/1002958567.db2.gz WZISKQANCDSZJB-OALUTQOASA-N 1 0 406.530 3.729 20 30 HHEDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000499619366 1002988778 /nfs/dbraw/zinc/98/87/78/1002988778.db2.gz YKPXRUUAAZDNJW-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO N#CC1(CCC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CCOCC1 ZINC000499621092 1002990733 /nfs/dbraw/zinc/99/07/33/1002990733.db2.gz VMVWLDRLLIQWNE-LJQANCHMSA-N 1 0 413.566 3.818 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1C#N ZINC000508542325 1003018334 /nfs/dbraw/zinc/01/83/34/1003018334.db2.gz PTQZJNROQUJXSB-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO COCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000508566320 1003033595 /nfs/dbraw/zinc/03/35/95/1003033595.db2.gz FGTQDQUXZFILGD-UHFFFAOYSA-N 1 0 405.458 3.516 20 30 HHEDRO C=CCN1CC[C@H]([NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000499713333 1003062786 /nfs/dbraw/zinc/06/27/86/1003062786.db2.gz XUIXEGXHUFUIPI-OALUTQOASA-N 1 0 400.320 3.504 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000508658533 1003100718 /nfs/dbraw/zinc/10/07/18/1003100718.db2.gz RLWJHTKWHYPNIA-ALGQRKQJSA-N 1 0 416.610 3.513 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508707394 1003144387 /nfs/dbraw/zinc/14/43/87/1003144387.db2.gz VOBLTTSRVAWSNO-UHFFFAOYSA-N 1 0 403.534 3.586 20 30 HHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508732698 1003172077 /nfs/dbraw/zinc/17/20/77/1003172077.db2.gz IIMPHWWYDAVYOT-UHFFFAOYSA-N 1 0 418.501 3.670 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508748359 1003184004 /nfs/dbraw/zinc/18/40/04/1003184004.db2.gz REBJJLMNXLZQHJ-GOSISDBHSA-N 1 0 401.942 3.761 20 30 HHEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508749757 1003185508 /nfs/dbraw/zinc/18/55/08/1003185508.db2.gz XDHUWYUTWQZEJN-LJQANCHMSA-N 1 0 424.549 3.988 20 30 HHEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508816546 1003241440 /nfs/dbraw/zinc/24/14/40/1003241440.db2.gz JUFUWHFRRSRMMR-UHFFFAOYSA-N 1 0 419.371 3.534 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508819156 1003243365 /nfs/dbraw/zinc/24/33/65/1003243365.db2.gz XMVFKFVVJTUIPA-OFNKIYASSA-N 1 0 421.589 3.711 20 30 HHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508862236 1003281756 /nfs/dbraw/zinc/28/17/56/1003281756.db2.gz CYSVSOVEOWRKTR-VCOUNFBDSA-N 1 0 405.546 3.593 20 30 HHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508862234 1003282095 /nfs/dbraw/zinc/28/20/95/1003282095.db2.gz CYSVSOVEOWRKTR-UZKOGDIHSA-N 1 0 405.546 3.593 20 30 HHEDRO C=CCn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000508863020 1003283448 /nfs/dbraw/zinc/28/34/48/1003283448.db2.gz ILVDFLFXQZHMEC-QGZVFWFLSA-N 1 0 403.477 3.657 20 30 HHEDRO Cc1onc(CC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1C#N ZINC000499973058 1003290235 /nfs/dbraw/zinc/29/02/35/1003290235.db2.gz NKNSTQAQCCVIHC-UHFFFAOYSA-N 1 0 415.856 3.505 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508873442 1003293346 /nfs/dbraw/zinc/29/33/46/1003293346.db2.gz NETQBAVCIJXRJL-UHFFFAOYSA-N 1 0 417.561 3.833 20 30 HHEDRO C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508901516 1003336138 /nfs/dbraw/zinc/33/61/38/1003336138.db2.gz UUXVSPBSUOQVPS-HXOBKFHXSA-N 1 0 424.520 3.942 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508936317 1003383267 /nfs/dbraw/zinc/38/32/67/1003383267.db2.gz QUBCTVNSPKAAID-UHFFFAOYSA-N 1 0 404.562 3.922 20 30 HHEDRO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508947971 1003403943 /nfs/dbraw/zinc/40/39/43/1003403943.db2.gz BLARSARTZFRVGH-UHFFFAOYSA-N 1 0 409.578 3.775 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508989097 1003461041 /nfs/dbraw/zinc/46/10/41/1003461041.db2.gz ZDHWTOMSXMUIEF-LJQANCHMSA-N 1 0 410.566 3.501 20 30 HHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508997267 1003468509 /nfs/dbraw/zinc/46/85/09/1003468509.db2.gz JCANQNUWHLARHE-UHFFFAOYSA-N 1 0 421.545 3.816 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000500250661 1003582033 /nfs/dbraw/zinc/58/20/33/1003582033.db2.gz PEGRTOUTFUELLB-QGZVFWFLSA-N 1 0 424.310 3.855 20 30 HHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509188875 1003613913 /nfs/dbraw/zinc/61/39/13/1003613913.db2.gz VGGFMLZUBOAWIP-UHFFFAOYSA-N 1 0 424.382 3.528 20 30 HHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000500588594 1003802140 /nfs/dbraw/zinc/80/21/40/1003802140.db2.gz YGHCLKTZIAEXRB-GOSISDBHSA-N 1 0 404.436 3.858 20 30 HHEDRO Cc1onc(CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000500592438 1003806026 /nfs/dbraw/zinc/80/60/26/1003806026.db2.gz ORPCZQVAAHWDOL-FOIQADDNSA-N 1 0 420.435 3.615 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000500610739 1003828794 /nfs/dbraw/zinc/82/87/94/1003828794.db2.gz RINTXOAODCZXOY-UHFFFAOYSA-N 1 0 417.469 3.606 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000500612504 1003830861 /nfs/dbraw/zinc/83/08/61/1003830861.db2.gz VPJUSRIDKPDZQH-UHFFFAOYSA-N 1 0 403.567 3.903 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)cc(OC)c1O ZINC000509581439 1003959513 /nfs/dbraw/zinc/95/95/13/1003959513.db2.gz AESZJMCIXLPFGQ-UHFFFAOYSA-N 1 0 410.514 3.989 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000500824443 1003983362 /nfs/dbraw/zinc/98/33/62/1003983362.db2.gz NEUKGSDDEXHQQV-UHFFFAOYSA-N 1 0 424.589 3.828 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000500825160 1003983940 /nfs/dbraw/zinc/98/39/40/1003983940.db2.gz YWDCWYPRZPSPQQ-KRWDZBQOSA-N 1 0 415.534 3.691 20 30 HHEDRO Fc1cc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc(C(F)(F)F)c1 ZINC000512069814 1003998927 /nfs/dbraw/zinc/99/89/27/1003998927.db2.gz YFVSOWPBITWHTN-UHFFFAOYSA-N 1 0 402.354 3.931 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1Cl ZINC000509681811 1004026786 /nfs/dbraw/zinc/02/67/86/1004026786.db2.gz JGJJOBFLDDNCEU-UHFFFAOYSA-N 1 0 417.962 3.541 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000512189135 1004090649 /nfs/dbraw/zinc/09/06/49/1004090649.db2.gz HTKSJBYQFLAVFL-VWNXMTODSA-N 1 0 405.517 3.873 20 30 HHEDRO C[C@H]1C[C@H](CCNC(=O)NCCOc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509787638 1004096810 /nfs/dbraw/zinc/09/68/10/1004096810.db2.gz HTJYUZMECJUWTD-UGKGYDQZSA-N 1 0 406.530 3.537 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000509809318 1004115332 /nfs/dbraw/zinc/11/53/32/1004115332.db2.gz UJXPAQWFPMUBTG-DBXWQHBBSA-N 1 0 412.553 3.778 20 30 HHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000501032015 1004135864 /nfs/dbraw/zinc/13/58/64/1004135864.db2.gz OHBWZPXZQRWWNE-FQEVSTJZSA-N 1 0 416.367 3.698 20 30 HHEDRO C[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 ZINC000512276640 1004177233 /nfs/dbraw/zinc/17/72/33/1004177233.db2.gz MGIZEZBNODPQRN-RXVVDRJESA-N 1 0 408.571 3.683 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501388327 1004384459 /nfs/dbraw/zinc/38/44/59/1004384459.db2.gz UCVMKAYYZZFWFA-TZIWHRDSSA-N 1 0 411.546 3.770 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)c1 ZINC000512591151 1004407119 /nfs/dbraw/zinc/40/71/19/1004407119.db2.gz UZBYKNZXEKISKG-UHFFFAOYSA-N 1 0 403.461 3.938 20 30 HHEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000512657445 1004467909 /nfs/dbraw/zinc/46/79/09/1004467909.db2.gz CSYGQCICFCSMQV-QFIPXVFZSA-N 1 0 406.574 3.681 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCOc3c(Br)cccc32)cc1 ZINC000501539024 1004500209 /nfs/dbraw/zinc/50/02/09/1004500209.db2.gz VKBUWBVAYLHRDQ-KRWDZBQOSA-N 1 0 400.276 3.763 20 30 HHEDRO C=C(C)COc1cc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000512705857 1004507634 /nfs/dbraw/zinc/50/76/34/1004507634.db2.gz QYKKXCRNJQEWQL-SFTDATJTSA-N 1 0 401.595 3.641 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000510368986 1004514258 /nfs/dbraw/zinc/51/42/58/1004514258.db2.gz IOWQCLLLPVPZNB-BLLLJJGKSA-N 1 0 415.437 3.578 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512739924 1004530282 /nfs/dbraw/zinc/53/02/82/1004530282.db2.gz MHQBAFFEXRPCRW-LPHOPBHVSA-N 1 0 417.600 3.524 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512755294 1004538434 /nfs/dbraw/zinc/53/84/34/1004538434.db2.gz IGJPNRXZANWMIB-TZIWHRDSSA-N 1 0 417.619 3.842 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccco1 ZINC000510432903 1004562996 /nfs/dbraw/zinc/56/29/96/1004562996.db2.gz ZPWMIMPNZLOVKK-SWLSCSKDSA-N 1 0 415.437 3.578 20 30 HHEDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC000512812720 1004574518 /nfs/dbraw/zinc/57/45/18/1004574518.db2.gz YERVNVGRQCKCIR-FQEVSTJZSA-N 1 0 412.505 3.906 20 30 HHEDRO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512843296 1004604105 /nfs/dbraw/zinc/60/41/05/1004604105.db2.gz FZLMININCILNHM-SJORKVTESA-N 1 0 407.489 3.907 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000512862536 1004623903 /nfs/dbraw/zinc/62/39/03/1004623903.db2.gz UUHHZWQFOVBITN-QHCPKHFHSA-N 1 0 418.541 3.907 20 30 HHEDRO C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510521340 1004647185 /nfs/dbraw/zinc/64/71/85/1004647185.db2.gz FVRMOLZESVBSMS-IEBWSBKVSA-N 1 0 400.592 3.744 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510527338 1004657987 /nfs/dbraw/zinc/65/79/87/1004657987.db2.gz WZWJKQDRRUZROO-UUOWRZLLSA-N 1 0 409.530 3.842 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000510535190 1004667933 /nfs/dbraw/zinc/66/79/33/1004667933.db2.gz UDINJSQLEIMTMF-OAQYLSRUSA-N 1 0 408.502 3.924 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000510536933 1004668978 /nfs/dbraw/zinc/66/89/78/1004668978.db2.gz ZHMBXPASRAQPRE-ROUUACIJSA-N 1 0 422.529 3.888 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000513018835 1004761756 /nfs/dbraw/zinc/76/17/56/1004761756.db2.gz VDBPPRZROCAATD-LJQANCHMSA-N 1 0 422.529 3.690 20 30 HHEDRO N#Cc1ccc(Cl)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000510675459 1004792824 /nfs/dbraw/zinc/79/28/24/1004792824.db2.gz QDHUBEZPMJATLW-UHFFFAOYSA-N 1 0 417.340 3.807 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510686214 1004798904 /nfs/dbraw/zinc/79/89/04/1004798904.db2.gz WZEPIEXWCIVACE-UHFFFAOYSA-N 1 0 421.545 3.681 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[NH+](C)C)cc1 ZINC000513109404 1004811406 /nfs/dbraw/zinc/81/14/06/1004811406.db2.gz YNXNJBPDBULXHN-NRFANRHFSA-N 1 0 420.492 3.870 20 30 HHEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000513120288 1004817586 /nfs/dbraw/zinc/81/75/86/1004817586.db2.gz LXPVXACNMYQSAN-IBGZPJMESA-N 1 0 414.571 3.962 20 30 HHEDRO C=CCOc1cccc(NC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000510731104 1004822073 /nfs/dbraw/zinc/82/20/73/1004822073.db2.gz FQZHLMUSZYZYOZ-HSZRJFAPSA-N 1 0 408.546 3.752 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)c1 ZINC000510831293 1004879996 /nfs/dbraw/zinc/87/99/96/1004879996.db2.gz SHWXHYIIQKXXOD-UHFFFAOYSA-N 1 0 418.541 3.907 20 30 HHEDRO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502151919 1004925846 /nfs/dbraw/zinc/92/58/46/1004925846.db2.gz BRGAUNWVIWPBGJ-IBGZPJMESA-N 1 0 418.541 3.564 20 30 HHEDRO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502151920 1004925966 /nfs/dbraw/zinc/92/59/66/1004925966.db2.gz BRGAUNWVIWPBGJ-LJQANCHMSA-N 1 0 418.541 3.564 20 30 HHEDRO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502161589 1004930798 /nfs/dbraw/zinc/93/07/98/1004930798.db2.gz YFVKUNKZGMOUOJ-QFIPXVFZSA-N 1 0 420.513 3.635 20 30 HHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502165571 1004933403 /nfs/dbraw/zinc/93/34/03/1004933403.db2.gz VHTQGPIUAFSKBG-IBGZPJMESA-N 1 0 415.541 3.978 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c(-c2ccccc2)n1 ZINC000513391270 1004940137 /nfs/dbraw/zinc/94/01/37/1004940137.db2.gz AJBBNLBOPNPCSF-UHFFFAOYSA-N 1 0 406.559 3.628 20 30 HHEDRO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177175 1004940484 /nfs/dbraw/zinc/94/04/84/1004940484.db2.gz WLBGWTDVICKKPD-QHCPKHFHSA-N 1 0 418.541 3.818 20 30 HHEDRO CSc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502185026 1004944780 /nfs/dbraw/zinc/94/47/80/1004944780.db2.gz JCAPDCWKTOVNTQ-UHFFFAOYSA-N 1 0 422.554 3.959 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000502197178 1004952415 /nfs/dbraw/zinc/95/24/15/1004952415.db2.gz RQSCPTBFAIUFBS-UHFFFAOYSA-N 1 0 421.526 3.953 20 30 HHEDRO COc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1OC ZINC000513422413 1004958814 /nfs/dbraw/zinc/95/88/14/1004958814.db2.gz UURVTYBZWYABSJ-GOSISDBHSA-N 1 0 424.545 3.718 20 30 HHEDRO C=CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000513454440 1004973838 /nfs/dbraw/zinc/97/38/38/1004973838.db2.gz HKBVEDBJXBRWON-LJQANCHMSA-N 1 0 418.545 3.894 20 30 HHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccccc1F ZINC000513508414 1004996211 /nfs/dbraw/zinc/99/62/11/1004996211.db2.gz MITOBUJNNFXRDC-IBGZPJMESA-N 1 0 424.545 3.782 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(NC(=O)N(C)C)ccc1Cl)C(C)C ZINC000502297981 1004999276 /nfs/dbraw/zinc/99/92/76/1004999276.db2.gz CANFRAXLZLWRIR-LJQANCHMSA-N 1 0 406.958 3.862 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000511246747 1005089713 /nfs/dbraw/zinc/08/97/13/1005089713.db2.gz DXHLZAUNVKIHNF-PXNSSMCTSA-N 1 0 415.578 3.885 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511259724 1005095944 /nfs/dbraw/zinc/09/59/44/1005095944.db2.gz QLOKXGSZKBRQMY-OALUTQOASA-N 1 0 412.578 3.868 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccccc1 ZINC000502520926 1005100158 /nfs/dbraw/zinc/10/01/58/1005100158.db2.gz RGOUISYYLYZJTR-QHCPKHFHSA-N 1 0 401.514 3.865 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1)C(C)C ZINC000511291208 1005110309 /nfs/dbraw/zinc/11/03/09/1005110309.db2.gz ZWLAXTOECDYDPI-UHFFFAOYSA-N 1 0 408.521 3.890 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1C#N ZINC000502543803 1005111327 /nfs/dbraw/zinc/11/13/27/1005111327.db2.gz DKFUSLCTMZVAAU-QZTJIDSGSA-N 1 0 420.460 3.696 20 30 HHEDRO COc1ccc2cccc(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000513757856 1005112207 /nfs/dbraw/zinc/11/22/07/1005112207.db2.gz RUJRFBFDEWGFKN-UHFFFAOYSA-N 1 0 413.521 3.997 20 30 HHEDRO CC[C@@H]1C[C@]1([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(C)c1 ZINC000502559711 1005118495 /nfs/dbraw/zinc/11/84/95/1005118495.db2.gz NSGLVENHBWHVAU-NHCICSSKSA-N 1 0 422.598 3.680 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000511373315 1005144938 /nfs/dbraw/zinc/14/49/38/1005144938.db2.gz XHDMBYUAEVYKGD-ISKFKSNPSA-N 1 0 420.557 3.799 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000511464511 1005187139 /nfs/dbraw/zinc/18/71/39/1005187139.db2.gz TWFQQWCJWHFRSA-JOCHJYFZSA-N 1 0 406.530 3.537 20 30 HHEDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000511475456 1005192823 /nfs/dbraw/zinc/19/28/23/1005192823.db2.gz DWLANWJCLDEOES-UGKGYDQZSA-N 1 0 421.541 3.500 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCC[NH+]3CCCCC3)c2)c1 ZINC000511542253 1005216866 /nfs/dbraw/zinc/21/68/66/1005216866.db2.gz VZPSJBPCFZURGG-UHFFFAOYSA-N 1 0 405.502 3.808 20 30 HHEDRO Cc1occc1C(=O)NC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000514103840 1005266877 /nfs/dbraw/zinc/26/68/77/1005266877.db2.gz FOIZPHDESCCEKK-UHFFFAOYSA-N 1 0 417.513 3.760 20 30 HHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000514127362 1005278991 /nfs/dbraw/zinc/27/89/91/1005278991.db2.gz UBRNCDNKMMGDQU-PMACEKPBSA-N 1 0 422.367 3.565 20 30 HHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000502977283 1005300661 /nfs/dbraw/zinc/30/06/61/1005300661.db2.gz AZCNMSMAWUMREU-JOCHJYFZSA-N 1 0 417.575 3.744 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511766477 1005314908 /nfs/dbraw/zinc/31/49/08/1005314908.db2.gz BZPXBECIEIXLTH-DYESRHJHSA-N 1 0 417.887 3.962 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@@H]31)CCC2 ZINC000511796086 1005332630 /nfs/dbraw/zinc/33/26/30/1005332630.db2.gz KREHOLGIRXKLFS-NJYVYQBISA-N 1 0 421.566 3.942 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000503140165 1005355778 /nfs/dbraw/zinc/35/57/78/1005355778.db2.gz SBUAKVAHPZPPFN-DRMXPCRNSA-N 1 0 413.562 3.760 20 30 HHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000503276998 1005382425 /nfs/dbraw/zinc/38/24/25/1005382425.db2.gz VXEWYGIEBSOZEX-HXUWFJFHSA-N 1 0 420.513 3.670 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCc4ccccc43)CC2)c(OC)c1 ZINC000503386903 1005404906 /nfs/dbraw/zinc/40/49/06/1005404906.db2.gz UUZYXMADVDNTCR-HSZRJFAPSA-N 1 0 422.569 3.691 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(N4CCc5ccccc54)CC3)C2=O)cc1 ZINC000503417655 1005414323 /nfs/dbraw/zinc/41/43/23/1005414323.db2.gz WEONHNXXOOUSEF-XMMPIXPASA-N 1 0 400.526 3.581 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503477881 1005432503 /nfs/dbraw/zinc/43/25/03/1005432503.db2.gz NKXZISFGGXWGPA-UHFFFAOYSA-N 1 0 411.980 3.806 20 30 HHEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC)cc1Cl ZINC000503707855 1005483937 /nfs/dbraw/zinc/48/39/37/1005483937.db2.gz DOMSHMDUUIMBAZ-UHFFFAOYSA-N 1 0 416.909 3.825 20 30 HHEDRO N#Cc1csc(C[NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000531117924 1006003403 /nfs/dbraw/zinc/00/34/03/1006003403.db2.gz ZXCXHLNWURPANN-UHFFFAOYSA-N 1 0 408.527 3.664 20 30 HHEDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000514694941 1006085100 /nfs/dbraw/zinc/08/51/00/1006085100.db2.gz SYZVPHIISICYPC-NSHDSACASA-N 1 0 407.211 3.922 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)cc1 ZINC000531287403 1006095653 /nfs/dbraw/zinc/09/56/53/1006095653.db2.gz BTEYIFYFALRFEG-RUZDIDTESA-N 1 0 413.477 3.926 20 30 HHEDRO C[C@H]1C[C@H](N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@@H+]1C ZINC000514805875 1006136818 /nfs/dbraw/zinc/13/68/18/1006136818.db2.gz LANHVHDNUXQMDV-QFBILLFUSA-N 1 0 402.970 3.759 20 30 HHEDRO COCC[N@H+](C)CCCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534172492 1006156026 /nfs/dbraw/zinc/15/60/26/1006156026.db2.gz FGLBJBVNWAEHEX-UHFFFAOYSA-N 1 0 401.894 3.702 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncc(C)c(OC)c1C ZINC000531408515 1006177628 /nfs/dbraw/zinc/17/76/28/1006177628.db2.gz QFMYAWPSAUEVIC-UHFFFAOYSA-N 1 0 401.580 3.805 20 30 HHEDRO N#Cc1ccc(C(F)(F)F)nc1NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000514884638 1006185571 /nfs/dbraw/zinc/18/55/71/1006185571.db2.gz MRJWVMQEBPAAPM-UHFFFAOYSA-N 1 0 417.479 3.982 20 30 HHEDRO CCc1ccc([C@H](C)NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000514925392 1006207486 /nfs/dbraw/zinc/20/74/86/1006207486.db2.gz YCGRDDXZYWWEKW-FQEVSTJZSA-N 1 0 404.558 3.506 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000514960799 1006219052 /nfs/dbraw/zinc/21/90/52/1006219052.db2.gz FOVXALMBFABWBV-XBMUEBEBSA-N 1 0 419.639 3.668 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534240296 1006246039 /nfs/dbraw/zinc/24/60/39/1006246039.db2.gz KOGMQOOMLOBNIR-XLIONFOSSA-N 1 0 400.885 3.843 20 30 HHEDRO C=CCCC(=O)CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000534240422 1006247030 /nfs/dbraw/zinc/24/70/30/1006247030.db2.gz ADQWBXCZNNBGIY-UHFFFAOYSA-N 1 0 419.616 3.916 20 30 HHEDRO Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000515094460 1006284821 /nfs/dbraw/zinc/28/48/21/1006284821.db2.gz NDJMHQRJQOGYOY-UHFFFAOYSA-N 1 0 406.921 3.719 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1NC(C)=O ZINC000531715561 1006374953 /nfs/dbraw/zinc/37/49/53/1006374953.db2.gz JGGTUISAUHXUJM-BEFAXECRSA-N 1 0 410.493 3.984 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC#N ZINC000515419233 1006453275 /nfs/dbraw/zinc/45/32/75/1006453275.db2.gz XVHYATMWISGUDH-UHFFFAOYSA-N 1 0 406.379 3.771 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCC[C@H]3N3CCOCC3)c2)c1 ZINC000538420552 1006688856 /nfs/dbraw/zinc/68/88/56/1006688856.db2.gz QPPNMTOLWQCFIJ-JWQCQUIFSA-N 1 0 405.542 3.870 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 ZINC000538534802 1006796280 /nfs/dbraw/zinc/79/62/80/1006796280.db2.gz XOKRUOIJGYTZEG-JOCHJYFZSA-N 1 0 417.484 3.710 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1Cl)C(C)C ZINC000534795120 1006798460 /nfs/dbraw/zinc/79/84/60/1006798460.db2.gz ZLVUIAVETJDKSO-FQEVSTJZSA-N 1 0 403.954 3.895 20 30 HHEDRO CCCN(CCOc1ccc(C#N)cc1OC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000532467267 1006905662 /nfs/dbraw/zinc/90/56/62/1006905662.db2.gz BWLLJPOGXXBQKO-UHFFFAOYSA-N 1 0 421.419 3.714 20 30 HHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000532578374 1007011632 /nfs/dbraw/zinc/01/16/32/1007011632.db2.gz JMYRHAGDJKMMAM-UHFFFAOYSA-N 1 0 403.461 3.734 20 30 HHEDRO Cc1cc(F)ccc1N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1 ZINC000532714573 1007125952 /nfs/dbraw/zinc/12/59/52/1007125952.db2.gz SGZDDGBEOHXUGS-UHFFFAOYSA-N 1 0 420.532 3.755 20 30 HHEDRO C=C(C)COc1cc(CNc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1OC ZINC000532728358 1007138156 /nfs/dbraw/zinc/13/81/56/1007138156.db2.gz XLIVBCOBCQNFOV-NRFANRHFSA-N 1 0 423.557 3.960 20 30 HHEDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000538868084 1007145784 /nfs/dbraw/zinc/14/57/84/1007145784.db2.gz CWVPFZDJEGTYHO-WZONZLPQSA-N 1 0 424.520 3.691 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C#N ZINC000516554522 1007152645 /nfs/dbraw/zinc/15/26/45/1007152645.db2.gz JBPPNRAWCGPDCH-FQEVSTJZSA-N 1 0 405.527 3.905 20 30 HHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000516620698 1007199017 /nfs/dbraw/zinc/19/90/17/1007199017.db2.gz XGOXUUNGEOYGPD-UHFFFAOYSA-N 1 0 406.507 3.701 20 30 HHEDRO Cc1nc(-c2cc3c(s2)CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C3)cs1 ZINC000539001593 1007299918 /nfs/dbraw/zinc/29/99/18/1007299918.db2.gz UNLIZOMZTGCMSF-RBZFPXEDSA-N 1 0 402.589 3.981 20 30 HHEDRO Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)cn1 ZINC000532968603 1007335649 /nfs/dbraw/zinc/33/56/49/1007335649.db2.gz LKRDXTOZTABGOE-UHFFFAOYSA-N 1 0 413.525 3.601 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000532986105 1007356339 /nfs/dbraw/zinc/35/63/39/1007356339.db2.gz AFLZICRDCPVBCZ-JOCHJYFZSA-N 1 0 417.475 3.688 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1Cn1cnc3ccccc31)CCC2 ZINC000535310131 1007361449 /nfs/dbraw/zinc/36/14/49/1007361449.db2.gz YMZHYRSJEDRROW-INIZCTEOSA-N 1 0 419.554 3.951 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047844 1007409136 /nfs/dbraw/zinc/40/91/36/1007409136.db2.gz QXMRFBHWUGMUGD-FUHWJXTLSA-N 1 0 400.498 3.868 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000539226944 1007519172 /nfs/dbraw/zinc/51/91/72/1007519172.db2.gz QFWLLFMGNYKBRS-GOSISDBHSA-N 1 0 421.522 3.657 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000539228508 1007520227 /nfs/dbraw/zinc/52/02/27/1007520227.db2.gz FWWUWOGDYKSVAX-MSOLQXFVSA-N 1 0 424.520 3.666 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000539228511 1007520267 /nfs/dbraw/zinc/52/02/67/1007520267.db2.gz FWWUWOGDYKSVAX-ZWKOTPCHSA-N 1 0 424.520 3.666 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000539227455 1007520346 /nfs/dbraw/zinc/52/03/46/1007520346.db2.gz PNHRZVLQKOOXJV-GFCCVEGCSA-N 1 0 403.866 3.527 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000539228509 1007520552 /nfs/dbraw/zinc/52/05/52/1007520552.db2.gz FWWUWOGDYKSVAX-QZTJIDSGSA-N 1 0 424.520 3.666 20 30 HHEDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535465549 1007528924 /nfs/dbraw/zinc/52/89/24/1007528924.db2.gz ANYBOZFCWWDYOR-IIBYNOLFSA-N 1 0 403.548 3.539 20 30 HHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000539234425 1007528904 /nfs/dbraw/zinc/52/89/04/1007528904.db2.gz SDFDHLIXDQPPLG-INIZCTEOSA-N 1 0 406.486 3.916 20 30 HHEDRO N#CCCCOc1cccc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000533210630 1007538343 /nfs/dbraw/zinc/53/83/43/1007538343.db2.gz BRMUIVODCCVFCD-OAQYLSRUSA-N 1 0 406.530 3.679 20 30 HHEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000539251945 1007544776 /nfs/dbraw/zinc/54/47/76/1007544776.db2.gz GDZWWLIFUATGCB-PGRDOPGGSA-N 1 0 403.482 3.623 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)c1C#N ZINC000535503202 1007559035 /nfs/dbraw/zinc/55/90/35/1007559035.db2.gz DUMLRWRKQSNBFP-UHFFFAOYSA-N 1 0 402.502 3.728 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539277018 1007571550 /nfs/dbraw/zinc/57/15/50/1007571550.db2.gz MYNGQXQRMQWSSO-DLBZAZTESA-N 1 0 410.493 3.737 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276817 1007571732 /nfs/dbraw/zinc/57/17/32/1007571732.db2.gz NWLKKVROOKRSNG-IQMFZBJNSA-N 1 0 408.477 3.537 20 30 HHEDRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533279146 1007591546 /nfs/dbraw/zinc/59/15/46/1007591546.db2.gz JWCAGNCGSLRCFI-QHCPKHFHSA-N 1 0 419.504 3.959 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)c1C#N ZINC000533280630 1007592137 /nfs/dbraw/zinc/59/21/37/1007592137.db2.gz LVWUYTDHMYPUBI-JOCHJYFZSA-N 1 0 419.573 3.524 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)c1C#N ZINC000533287958 1007600043 /nfs/dbraw/zinc/60/00/43/1007600043.db2.gz JPRSUSQCOIDVEN-FQEVSTJZSA-N 1 0 411.594 3.838 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000533288399 1007600255 /nfs/dbraw/zinc/60/02/55/1007600255.db2.gz GAAQBKYSSNGATA-SJORKVTESA-N 1 0 400.592 3.633 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000533299237 1007616245 /nfs/dbraw/zinc/61/62/45/1007616245.db2.gz OODHNZIWDOHPCB-AQFXKWCLSA-N 1 0 400.592 3.632 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000517440171 1007662163 /nfs/dbraw/zinc/66/21/63/1007662163.db2.gz KNEPSIPFXORJFF-MJXNMMHHSA-N 1 0 400.910 3.784 20 30 HHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(F)cc1 ZINC000539380375 1007685424 /nfs/dbraw/zinc/68/54/24/1007685424.db2.gz PKARRXOZNOXOAK-GOSISDBHSA-N 1 0 401.507 3.944 20 30 HHEDRO Cc1c(C(=O)N(CCC#N)CCC[NH+](C)C)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000517478225 1007704518 /nfs/dbraw/zinc/70/45/18/1007704518.db2.gz JJCWQKAWBFZLMY-UHFFFAOYSA-N 1 0 416.529 3.550 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533427538 1007737933 /nfs/dbraw/zinc/73/79/33/1007737933.db2.gz VUQXRAVPZWEPNJ-OALUTQOASA-N 1 0 400.592 3.970 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533427535 1007738204 /nfs/dbraw/zinc/73/82/04/1007738204.db2.gz VUQXRAVPZWEPNJ-MOPGFXCFSA-N 1 0 400.592 3.970 20 30 HHEDRO CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000533436236 1007749078 /nfs/dbraw/zinc/74/90/78/1007749078.db2.gz GVTPRBGONIBNJG-RBUKOAKNSA-N 1 0 412.578 3.868 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000535812898 1007823851 /nfs/dbraw/zinc/82/38/51/1007823851.db2.gz UOZNDDFBWUVCPL-UHFFFAOYSA-N 1 0 418.541 3.990 20 30 HHEDRO CCC1(CNC(=O)C(=O)Nc2cc(C#N)ccc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000533611551 1007912364 /nfs/dbraw/zinc/91/23/64/1007912364.db2.gz JZAPXLMMRAAAPF-UHFFFAOYSA-N 1 0 418.541 3.614 20 30 HHEDRO Cc1cc(NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)nn1CCC#N ZINC000539716609 1008031522 /nfs/dbraw/zinc/03/15/22/1008031522.db2.gz SFSWLDCAMSRMGC-UHFFFAOYSA-N 1 0 422.577 3.962 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539767302 1008084943 /nfs/dbraw/zinc/08/49/43/1008084943.db2.gz CGOWUVFEWJUTCK-IBGZPJMESA-N 1 0 406.534 3.932 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000517998992 1008094511 /nfs/dbraw/zinc/09/45/11/1008094511.db2.gz VFLOKRBVROQPAY-IBGZPJMESA-N 1 0 401.942 3.503 20 30 HHEDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000539831676 1008125112 /nfs/dbraw/zinc/12/51/12/1008125112.db2.gz GEKORVWBSITSSJ-IBGZPJMESA-N 1 0 407.562 3.838 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(N3CCCNC3=O)CC2)c1 ZINC000539834325 1008127651 /nfs/dbraw/zinc/12/76/51/1008127651.db2.gz SKJIKTASWLGKBT-UHFFFAOYSA-N 1 0 404.514 3.517 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896540 1008170579 /nfs/dbraw/zinc/17/05/79/1008170579.db2.gz NFLCJKRFOGGCCZ-GPXOXTDOSA-N 1 0 405.542 3.821 20 30 HHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000533884268 1008179234 /nfs/dbraw/zinc/17/92/34/1008179234.db2.gz GGAFJKOTMPOVKJ-UHFFFAOYSA-N 1 0 419.407 3.981 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000539924492 1008187194 /nfs/dbraw/zinc/18/71/94/1008187194.db2.gz FWBXCLSTPMFYAV-DOTOQJQBSA-N 1 0 423.351 3.513 20 30 HHEDRO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000518317885 1008258594 /nfs/dbraw/zinc/25/85/94/1008258594.db2.gz PWLQGBOVZGJCHN-QFIPXVFZSA-N 1 0 419.506 3.926 20 30 HHEDRO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000540059716 1008265178 /nfs/dbraw/zinc/26/51/78/1008265178.db2.gz RWEXMXJLQWGRFV-GOSISDBHSA-N 1 0 407.562 3.967 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000518531108 1008340024 /nfs/dbraw/zinc/34/00/24/1008340024.db2.gz IIFRYQVPWRJUQV-UHFFFAOYSA-N 1 0 424.511 3.619 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1F ZINC000540343177 1008390116 /nfs/dbraw/zinc/39/01/16/1008390116.db2.gz OOHSTLIAJHOUJG-CQSZACIVSA-N 1 0 408.395 3.672 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccncc1 ZINC000540351407 1008393794 /nfs/dbraw/zinc/39/37/94/1008393794.db2.gz JMPXIHZAQMMEDL-QGZVFWFLSA-N 1 0 416.481 3.830 20 30 HHEDRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000518703816 1008398424 /nfs/dbraw/zinc/39/84/24/1008398424.db2.gz KIEVMLWSPZVOMO-HXUWFJFHSA-N 1 0 405.546 3.521 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)c1 ZINC000540365593 1008401503 /nfs/dbraw/zinc/40/15/03/1008401503.db2.gz JTZZQIFOUYRWFN-JOCHJYFZSA-N 1 0 403.457 3.723 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540394852 1008415060 /nfs/dbraw/zinc/41/50/60/1008415060.db2.gz BGISQELECLDBAX-SJORKVTESA-N 1 0 413.481 3.883 20 30 HHEDRO Cc1ccccc1-n1nccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000540406801 1008419476 /nfs/dbraw/zinc/41/94/76/1008419476.db2.gz IWKKGSPUVOPKJI-UHFFFAOYSA-N 1 0 402.502 3.648 20 30 HHEDRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c(C)c1 ZINC000540511946 1008462281 /nfs/dbraw/zinc/46/22/81/1008462281.db2.gz FCSZCYIFLULFOY-CTNGQTDRSA-N 1 0 410.587 3.767 20 30 HHEDRO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000540554414 1008479162 /nfs/dbraw/zinc/47/91/62/1008479162.db2.gz VWPMDCJJSYFGCG-ZCYQVOJMSA-N 1 0 420.532 3.666 20 30 HHEDRO N#Cc1cnn2cc(C[NH2+]CC3(c4ccc(Cl)cc4Cl)CCOCC3)cnc12 ZINC000518947266 1008482962 /nfs/dbraw/zinc/48/29/62/1008482962.db2.gz VHVOAJYZVHKSHW-UHFFFAOYSA-N 1 0 416.312 3.746 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000542962993 1008535260 /nfs/dbraw/zinc/53/52/60/1008535260.db2.gz WRMCIYBFLXHEHW-CABCVRRESA-N 1 0 400.914 3.639 20 30 HHEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000548980475 1008559103 /nfs/dbraw/zinc/55/91/03/1008559103.db2.gz LEODRLJXZNSETI-UHFFFAOYSA-N 1 0 402.502 3.631 20 30 HHEDRO N#Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Oc1ccccc1 ZINC000549002853 1008576729 /nfs/dbraw/zinc/57/67/29/1008576729.db2.gz APHJAKCOOLZHMT-LJQANCHMSA-N 1 0 420.513 3.927 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)CCC#N ZINC000549116094 1008683050 /nfs/dbraw/zinc/68/30/50/1008683050.db2.gz NJHOVEMJOGMPHC-KYNGSXCRSA-N 1 0 408.949 3.743 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000519283625 1008693945 /nfs/dbraw/zinc/69/39/45/1008693945.db2.gz SWJOFCIUMVYAAT-UHFFFAOYSA-N 1 0 413.562 3.609 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000549162725 1008733511 /nfs/dbraw/zinc/73/35/11/1008733511.db2.gz RTDQVTMHPGPDJV-UGSOOPFHSA-N 1 0 416.403 3.515 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(I)cc1 ZINC000549175005 1008747763 /nfs/dbraw/zinc/74/77/63/1008747763.db2.gz XLWDOWDXAQOFIT-QWHCGFSZSA-N 1 0 419.266 3.841 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000549301540 1008877358 /nfs/dbraw/zinc/87/73/58/1008877358.db2.gz BRVBLMUMDHCGON-JOCHJYFZSA-N 1 0 419.577 3.746 20 30 HHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549325986 1008904082 /nfs/dbraw/zinc/90/40/82/1008904082.db2.gz CZRNLFTUDPPGIK-KNQAVFIVSA-N 1 0 407.562 3.843 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000549335306 1008913901 /nfs/dbraw/zinc/91/39/01/1008913901.db2.gz UKVDLHITYZILOJ-FQEVSTJZSA-N 1 0 424.932 3.567 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000549335309 1008914051 /nfs/dbraw/zinc/91/40/51/1008914051.db2.gz UKVDLHITYZILOJ-HXUWFJFHSA-N 1 0 424.932 3.567 20 30 HHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000519649061 1008940429 /nfs/dbraw/zinc/94/04/29/1008940429.db2.gz MFDUTHAOQRLXKH-LJQANCHMSA-N 1 0 420.561 3.752 20 30 HHEDRO C=C(C)[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000519666484 1008951149 /nfs/dbraw/zinc/95/11/49/1008951149.db2.gz VEKAAMKLGGWEPR-OAQYLSRUSA-N 1 0 418.488 3.807 20 30 HHEDRO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000519908925 1009068778 /nfs/dbraw/zinc/06/87/78/1009068778.db2.gz XVGBZYXWQDIXID-SFHVURJKSA-N 1 0 409.530 3.911 20 30 HHEDRO COc1cccc([C@H]2[C@H]([NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C2CC2)c1 ZINC000549476302 1009072643 /nfs/dbraw/zinc/07/26/43/1009072643.db2.gz MJMRVEBLBSPECR-GGAORHGYSA-N 1 0 424.932 3.726 20 30 HHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)CCN2C2CC2)c1 ZINC000549478079 1009075238 /nfs/dbraw/zinc/07/52/38/1009075238.db2.gz PAHVRRXMPSRVIJ-GMAHTHKFSA-N 1 0 415.497 3.684 20 30 HHEDRO Cc1ccccc1C1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000543554205 1009157747 /nfs/dbraw/zinc/15/77/47/1009157747.db2.gz OGLGDOUTZTXUIZ-JOCHJYFZSA-N 1 0 422.598 3.645 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000520076553 1009237793 /nfs/dbraw/zinc/23/77/93/1009237793.db2.gz SSDIWMMVYYYQAJ-QFIPXVFZSA-N 1 0 418.541 3.597 20 30 HHEDRO N#Cc1cnc2ccccc2c1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549622713 1009251089 /nfs/dbraw/zinc/25/10/89/1009251089.db2.gz ZISWSMKGNFJBPE-JOCHJYFZSA-N 1 0 412.537 3.869 20 30 HHEDRO N#Cc1cccc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)n1 ZINC000546259053 1009281711 /nfs/dbraw/zinc/28/17/11/1009281711.db2.gz OTGHUHHQMHMSKL-UHFFFAOYSA-N 1 0 405.483 3.912 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520194936 1009334981 /nfs/dbraw/zinc/33/49/81/1009334981.db2.gz MELLGQZHASOPBP-MRXNPFEDSA-N 1 0 410.909 3.894 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549735025 1009357813 /nfs/dbraw/zinc/35/78/13/1009357813.db2.gz ARQSUPUEYVKSOH-QFIPXVFZSA-N 1 0 417.561 3.772 20 30 HHEDRO CC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000520241268 1009361829 /nfs/dbraw/zinc/36/18/29/1009361829.db2.gz KKCZZYDIZGKEGH-UHFFFAOYSA-N 1 0 413.909 3.766 20 30 HHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543886998 1009462619 /nfs/dbraw/zinc/46/26/19/1009462619.db2.gz ZGDYWXXMFATFMG-UHFFFAOYSA-N 1 0 400.914 3.735 20 30 HHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543890766 1009468922 /nfs/dbraw/zinc/46/89/22/1009468922.db2.gz HKJURYLYGGWTGP-QGZVFWFLSA-N 1 0 400.914 3.783 20 30 HHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543890765 1009469018 /nfs/dbraw/zinc/46/90/18/1009469018.db2.gz HKJURYLYGGWTGP-KRWDZBQOSA-N 1 0 400.914 3.783 20 30 HHEDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000550189393 1009763838 /nfs/dbraw/zinc/76/38/38/1009763838.db2.gz AFKYUPIUVGXUBI-LJQANCHMSA-N 1 0 409.505 3.842 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S[C@@H](C)CC)cc2C)CC1 ZINC000520700333 1009768541 /nfs/dbraw/zinc/76/85/41/1009768541.db2.gz OFIYGQZYIVYGKP-KRWDZBQOSA-N 1 0 403.592 3.981 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000550210869 1009777300 /nfs/dbraw/zinc/77/73/00/1009777300.db2.gz AFYUBZQBSXKNIP-UHFFFAOYSA-N 1 0 404.436 3.956 20 30 HHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000544231789 1009842897 /nfs/dbraw/zinc/84/28/97/1009842897.db2.gz VAJBCFWRGCTXBJ-UHFFFAOYSA-N 1 0 403.530 3.815 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000550317454 1009857618 /nfs/dbraw/zinc/85/76/18/1009857618.db2.gz YYKQXARBESGMBZ-QHCPKHFHSA-N 1 0 405.542 3.591 20 30 HHEDRO COc1ccc(CC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000520878825 1009933161 /nfs/dbraw/zinc/93/31/61/1009933161.db2.gz SZEMHGXVJZFYAE-IBGZPJMESA-N 1 0 408.546 3.661 20 30 HHEDRO CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCCCC1 ZINC000520932049 1009986018 /nfs/dbraw/zinc/98/60/18/1009986018.db2.gz YXWVBQSWYDJQKX-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)CC1 ZINC000547276923 1010221884 /nfs/dbraw/zinc/22/18/84/1010221884.db2.gz PNTICSNRRUJVNV-HXUWFJFHSA-N 1 0 401.942 3.503 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000551028503 1010325761 /nfs/dbraw/zinc/32/57/61/1010325761.db2.gz XSLSMBMIMCHRIF-UHFFFAOYSA-N 1 0 416.485 3.736 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccco1 ZINC000521502141 1010417121 /nfs/dbraw/zinc/41/71/21/1010417121.db2.gz UUCOAJRWXSWWAJ-GOSISDBHSA-N 1 0 400.548 3.763 20 30 HHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000521530476 1010441274 /nfs/dbraw/zinc/44/12/74/1010441274.db2.gz IERBEHGXPPXLQC-GOSISDBHSA-N 1 0 410.493 3.984 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000521585194 1010482609 /nfs/dbraw/zinc/48/26/09/1010482609.db2.gz WREJBDSDZUPATN-LJQANCHMSA-N 1 0 422.367 3.573 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000521746125 1010588879 /nfs/dbraw/zinc/58/88/79/1010588879.db2.gz AXELLEYZDIEXNS-QGZVFWFLSA-N 1 0 402.564 3.705 20 30 HHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000548412943 1010618637 /nfs/dbraw/zinc/61/86/37/1010618637.db2.gz WHHRICSXWXUVSK-UHFFFAOYSA-N 1 0 402.542 3.502 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000521805606 1010632486 /nfs/dbraw/zinc/63/24/86/1010632486.db2.gz MGZFEEQABMJLMQ-ROUUACIJSA-N 1 0 416.591 3.790 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000521807229 1010633260 /nfs/dbraw/zinc/63/32/60/1010633260.db2.gz HOELVQAUZSCGST-HYFFOGBASA-N 1 0 416.591 3.646 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)c(F)c1 ZINC000521861469 1010669603 /nfs/dbraw/zinc/66/96/03/1010669603.db2.gz RZCDTYXJMKVWIF-SFHVURJKSA-N 1 0 419.460 3.575 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@@H]1c1cccs1 ZINC000548906530 1010756923 /nfs/dbraw/zinc/75/69/23/1010756923.db2.gz PXWWURRNRILJMO-GHTZIAJQSA-N 1 0 423.586 3.793 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000522205668 1010864782 /nfs/dbraw/zinc/86/47/82/1010864782.db2.gz UJHQHYHQGKEJEJ-ZRZAMGCNSA-N 1 0 415.581 3.717 20 30 HHEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 ZINC000540591754 1011248993 /nfs/dbraw/zinc/24/89/93/1011248993.db2.gz YZNQLRWDYQENLL-REWPJTCUSA-N 1 0 408.571 3.506 20 30 HHEDRO CSCC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000540597442 1011252660 /nfs/dbraw/zinc/25/26/60/1011252660.db2.gz OVVZIIMVAHVRDA-NRFANRHFSA-N 1 0 420.586 3.649 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536184814 1011321777 /nfs/dbraw/zinc/32/17/77/1011321777.db2.gz FMEYJBQWLNAAMP-PBEJRMEISA-N 1 0 422.554 3.581 20 30 HHEDRO Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)ccc1OCC[NH+]1CCCC1 ZINC000522902949 1011347430 /nfs/dbraw/zinc/34/74/30/1011347430.db2.gz TVUAMNUYXFKAID-UHFFFAOYSA-N 1 0 422.529 3.630 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000540979637 1011612336 /nfs/dbraw/zinc/61/23/36/1011612336.db2.gz JKDDIYJWVLIMQD-AEFFLSMTSA-N 1 0 418.476 3.668 20 30 HHEDRO C[C@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536665951 1011817312 /nfs/dbraw/zinc/81/73/12/1011817312.db2.gz CPNUSEDTJBONLK-LVXARBLLSA-N 1 0 418.585 3.595 20 30 HHEDRO C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536665952 1011817789 /nfs/dbraw/zinc/81/77/89/1011817789.db2.gz CPNUSEDTJBONLK-QFQXNSOFSA-N 1 0 418.585 3.595 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000541201791 1011871760 /nfs/dbraw/zinc/87/17/60/1011871760.db2.gz CDZIOQUWYIMAPT-FQEVSTJZSA-N 1 0 423.561 3.719 20 30 HHEDRO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000536743989 1011928115 /nfs/dbraw/zinc/92/81/15/1011928115.db2.gz BOAYCLYSTQNLNV-UHFFFAOYSA-N 1 0 407.562 3.920 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2C#N)[NH+](CC)CC)cc1 ZINC000551799629 1011957238 /nfs/dbraw/zinc/95/72/38/1011957238.db2.gz PZRDAJQSVGEVNZ-JOCHJYFZSA-N 1 0 406.530 3.567 20 30 HHEDRO N#CCCC[C@@H](NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000551831096 1011987268 /nfs/dbraw/zinc/98/72/68/1011987268.db2.gz PZXADKYLPBSDMH-HSZRJFAPSA-N 1 0 418.541 3.815 20 30 HHEDRO N#Cc1ccc(C[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C2CC2)cc1 ZINC000541319213 1012029737 /nfs/dbraw/zinc/02/97/37/1012029737.db2.gz VNASEQQKCABZBC-UHFFFAOYSA-N 1 0 402.498 3.678 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000523538939 1012070211 /nfs/dbraw/zinc/07/02/11/1012070211.db2.gz ZWRHAVUVFGOMQP-FQEVSTJZSA-N 1 0 405.546 3.639 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000523622564 1012202009 /nfs/dbraw/zinc/20/20/09/1012202009.db2.gz NYUMXLQATQVDEW-HNNXBMFYSA-N 1 0 403.470 3.510 20 30 HHEDRO C=CC[C@H]1N(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1(C)C ZINC000552196495 1012207849 /nfs/dbraw/zinc/20/78/49/1012207849.db2.gz HYGJQNFVWPPUEF-AZUAARDMSA-N 1 0 417.619 3.670 20 30 HHEDRO C=CC[C@H]1N(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1(C)C ZINC000552196498 1012207940 /nfs/dbraw/zinc/20/79/40/1012207940.db2.gz HYGJQNFVWPPUEF-UYAOXDASSA-N 1 0 417.619 3.670 20 30 HHEDRO COCCN(C)CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000552247608 1012258733 /nfs/dbraw/zinc/25/87/33/1012258733.db2.gz VHUHABAUONMXSO-VWLOTQADSA-N 1 0 406.574 3.826 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000537077167 1012422011 /nfs/dbraw/zinc/42/20/11/1012422011.db2.gz GKORKYGALCSVTH-HJPURHCSSA-N 1 0 410.493 3.783 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000541616980 1012423523 /nfs/dbraw/zinc/42/35/23/1012423523.db2.gz XNRBGVQADUZRQQ-UHFFFAOYSA-N 1 0 410.331 3.696 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000537157064 1012553495 /nfs/dbraw/zinc/55/34/95/1012553495.db2.gz LXNCZSPWEJTHPB-REWPJTCUSA-N 1 0 411.590 3.781 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1C#N ZINC000537175648 1012581654 /nfs/dbraw/zinc/58/16/54/1012581654.db2.gz UMPXGAMUOSNHHG-OAQYLSRUSA-N 1 0 422.533 3.667 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CCOCC1 ZINC000537225727 1012654849 /nfs/dbraw/zinc/65/48/49/1012654849.db2.gz UPYTWBDOIGGPPU-NRFANRHFSA-N 1 0 412.509 3.838 20 30 HHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537225610 1012655437 /nfs/dbraw/zinc/65/54/37/1012655437.db2.gz VHULBYSPIBVLLA-BONVTDFDSA-N 1 0 403.832 3.800 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000537247801 1012693478 /nfs/dbraw/zinc/69/34/78/1012693478.db2.gz HCDGIMXPDBDAMT-YADHBBJMSA-N 1 0 420.582 3.609 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H]1[NH+]1CCCC1 ZINC000541843258 1012731678 /nfs/dbraw/zinc/73/16/78/1012731678.db2.gz CANSBKSUPGJQDK-PKTZIBPZSA-N 1 0 421.566 3.789 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000537289583 1012746583 /nfs/dbraw/zinc/74/65/83/1012746583.db2.gz IAZIPMRYDRRBEU-OALUTQOASA-N 1 0 416.978 3.851 20 30 HHEDRO CN1C(=O)C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000537306030 1012763542 /nfs/dbraw/zinc/76/35/42/1012763542.db2.gz BJKIMVWEXCTFRX-VWNXMTODSA-N 1 0 422.960 3.738 20 30 HHEDRO CN1C(=O)C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000537306013 1012764455 /nfs/dbraw/zinc/76/44/55/1012764455.db2.gz BJKIMVWEXCTFRX-ISKFKSNPSA-N 1 0 422.960 3.738 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc4c(cc3OC(F)F)OCO4)CC2)cc1 ZINC000541909399 1012768320 /nfs/dbraw/zinc/76/83/20/1012768320.db2.gz ZXFOKHCTPXJTKV-UHFFFAOYSA-N 1 0 415.440 3.643 20 30 HHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537311724 1012770067 /nfs/dbraw/zinc/77/00/67/1012770067.db2.gz OAULRDAEGNDITK-UHFFFAOYSA-N 1 0 424.545 3.803 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000524083113 1012850728 /nfs/dbraw/zinc/85/07/28/1012850728.db2.gz YNVDZQXEAWAHFJ-UHFFFAOYSA-N 1 0 421.541 3.561 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000537411171 1012893078 /nfs/dbraw/zinc/89/30/78/1012893078.db2.gz KNTFSIMZCNVDKP-HSZRJFAPSA-N 1 0 412.534 3.574 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)cc1 ZINC000542013515 1012898259 /nfs/dbraw/zinc/89/82/59/1012898259.db2.gz HABNBUPESYWSEE-UHFFFAOYSA-N 1 0 400.567 3.968 20 30 HHEDRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)OC ZINC000542020110 1012911613 /nfs/dbraw/zinc/91/16/13/1012911613.db2.gz ZBMYCHUHULNGRH-YGKZAACZSA-N 1 0 407.514 3.580 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542024440 1012917753 /nfs/dbraw/zinc/91/77/53/1012917753.db2.gz QGWPFDOTCGYTAB-CTNGQTDRSA-N 1 0 424.511 3.579 20 30 HHEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542029047 1012924283 /nfs/dbraw/zinc/92/42/83/1012924283.db2.gz YIPZUTCUYGESDP-DOTOQJQBSA-N 1 0 410.497 3.658 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NCc3ccccc3C[NH+]3CCCC3)n2)c(F)c1 ZINC000542029823 1012926450 /nfs/dbraw/zinc/92/64/50/1012926450.db2.gz WKFNOCMYUYQGMY-UHFFFAOYSA-N 1 0 418.476 3.801 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C[NH+]1CCCCC1 ZINC000542030032 1012926510 /nfs/dbraw/zinc/92/65/10/1012926510.db2.gz HMNRXOPVEQFEFY-HNNXBMFYSA-N 1 0 400.914 3.641 20 30 HHEDRO Cc1ccc(-c2noc(CCCN3CCN(c4nccc(C#N)c4Cl)CC3)n2)cc1 ZINC000552971278 1012953701 /nfs/dbraw/zinc/95/37/01/1012953701.db2.gz PHUIPENPHJXYCI-UHFFFAOYSA-N 1 0 422.920 3.720 20 30 HHEDRO C=CCSc1ccccc1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553047482 1013022697 /nfs/dbraw/zinc/02/26/97/1013022697.db2.gz MRWSQVYPXJHFAV-JOCHJYFZSA-N 1 0 421.610 3.997 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@@H](C)c2ccccc2)[n+]2ccccc2)c1 ZINC000729670013 1071785571 /nfs/dbraw/zinc/78/55/71/1071785571.db2.gz KCJQODDNYMQLLC-HNNXBMFYSA-O 1 0 409.487 3.643 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccc(C)c(F)c2)[n+]2ccccc2)c1 ZINC000729669437 1071783450 /nfs/dbraw/zinc/78/34/50/1071783450.db2.gz XMLFBKBIRJLUHW-UHFFFAOYSA-O 1 0 413.450 3.852 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@H](C)c2ccccc2)[n+]2ccc(C)cc2)c1 ZINC000729669561 1071785013 /nfs/dbraw/zinc/78/50/13/1071785013.db2.gz HLUQVCDENFETSL-MRXNPFEDSA-O 1 0 423.514 3.952 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)NC2CCCCC2)cc1 ZINC000729670372 1071785079 /nfs/dbraw/zinc/78/50/79/1071785079.db2.gz QAYMCEDZUYNGBX-UHFFFAOYSA-O 1 0 415.535 3.777 20 30 HHEDRO COc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1OCCCC#N ZINC000729680558 1071801126 /nfs/dbraw/zinc/80/11/26/1071801126.db2.gz YHOUPKFOZUAGCR-UHFFFAOYSA-N 1 0 403.523 3.867 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000729808390 1072124355 /nfs/dbraw/zinc/12/43/55/1072124355.db2.gz AZCFNUFVQTXXGD-OCCSQVGLSA-N 1 0 400.700 3.511 20 30 HHEDRO C=CCn1c2ccccc2n(CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1=S ZINC000760286840 1072174864 /nfs/dbraw/zinc/17/48/64/1072174864.db2.gz QWMJWNAAQSKMFZ-UHFFFAOYSA-N 1 0 413.635 3.806 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C[C@@H](O)c3cccc(Br)c3)CC2)cc1 ZINC000913116773 1072332866 /nfs/dbraw/zinc/33/28/66/1072332866.db2.gz JKBKGACVWCYVJY-OAQYLSRUSA-N 1 0 414.347 3.562 20 30 HHEDRO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C1CCN(CC#N)CC1 ZINC000586776884 1072413266 /nfs/dbraw/zinc/41/32/66/1072413266.db2.gz CSQNWQRHBNWGLY-LBPRGKRZSA-N 1 0 402.848 3.653 20 30 HHEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(F)(F)F)[NH+]1CCCC1 ZINC001691579203 1072478330 /nfs/dbraw/zinc/47/83/30/1072478330.db2.gz BCZUTUMGQMBLBI-GOSISDBHSA-N 1 0 420.483 3.936 20 30 HHEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C12CCC2 ZINC001168337004 1072514512 /nfs/dbraw/zinc/51/45/12/1072514512.db2.gz CATCZPIKYDRSMY-UXHICEINSA-N 1 0 414.981 3.807 20 30 HHEDRO N#Cc1ccc(C[NH2+]CCCN2CCN(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000571092758 1072558840 /nfs/dbraw/zinc/55/88/40/1072558840.db2.gz VLDUJUTVUAHEOR-UHFFFAOYSA-N 1 0 402.464 3.879 20 30 HHEDRO Cc1nn(C)c(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1Br ZINC000447938444 1072605688 /nfs/dbraw/zinc/60/56/88/1072605688.db2.gz ATMOMPNJJQYZCH-UHFFFAOYSA-N 1 0 403.324 3.843 20 30 HHEDRO C[NH+]1CCC(Oc2ccc(CNc3c(C#N)cnc4c(F)ccc(F)c43)cc2)CC1 ZINC000588050442 1072751628 /nfs/dbraw/zinc/75/16/28/1072751628.db2.gz DQPVFMVEAAEIJD-UHFFFAOYSA-N 1 0 408.452 3.892 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1OC ZINC000479427272 1072841590 /nfs/dbraw/zinc/84/15/90/1072841590.db2.gz STEQEFINETVBFA-QGZVFWFLSA-N 1 0 406.320 3.716 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000588200406 1072904896 /nfs/dbraw/zinc/90/48/96/1072904896.db2.gz OVEAPKGHWKYBRB-IYBDPMFKSA-N 1 0 406.368 3.642 20 30 HHEDRO C=CCCCN(C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554883327 1072935306 /nfs/dbraw/zinc/93/53/06/1072935306.db2.gz CEFBCFWBVFWQIC-VCYXJBJXSA-N 1 0 417.981 3.795 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(F)cc1 ZINC000588769715 1073221065 /nfs/dbraw/zinc/22/10/65/1073221065.db2.gz LVDKQEJWUIIVOA-HXUWFJFHSA-N 1 0 407.445 3.902 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCc2ccccc2)c1 ZINC000555198334 1073252145 /nfs/dbraw/zinc/25/21/45/1073252145.db2.gz MCZLFGJXMCNBCO-UHFFFAOYSA-N 1 0 412.541 3.734 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000555248708 1073278829 /nfs/dbraw/zinc/27/88/29/1073278829.db2.gz UNEBZWNNTOEOSI-HXUWFJFHSA-N 1 0 417.557 3.833 20 30 HHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000555251082 1073280481 /nfs/dbraw/zinc/28/04/81/1073280481.db2.gz XYZYUICLOAENMW-BGYRXZFFSA-N 1 0 400.615 3.507 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000555259141 1073291899 /nfs/dbraw/zinc/29/18/99/1073291899.db2.gz ZZAYXSCSKIXXCC-UHFFFAOYSA-N 1 0 413.541 3.599 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000555256962 1073304770 /nfs/dbraw/zinc/30/47/70/1073304770.db2.gz ZOPIYZGRNHITBI-IBGZPJMESA-N 1 0 418.545 3.808 20 30 HHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000555285029 1073307660 /nfs/dbraw/zinc/30/76/60/1073307660.db2.gz DCCMLHOXRHVPLQ-UHFFFAOYSA-N 1 0 411.575 3.659 20 30 HHEDRO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588980790 1073369701 /nfs/dbraw/zinc/36/97/01/1073369701.db2.gz GCLLQCJITRQUNY-UHFFFAOYSA-N 1 0 401.894 3.697 20 30 HHEDRO N#Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2n1 ZINC000590145511 1073585932 /nfs/dbraw/zinc/58/59/32/1073585932.db2.gz CHVUXQZALWDQFX-NRFANRHFSA-N 1 0 412.537 3.869 20 30 HHEDRO N#CCSCCC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000555545549 1073616306 /nfs/dbraw/zinc/61/63/06/1073616306.db2.gz ALLMVVMBLGMEBH-UHFFFAOYSA-N 1 0 401.345 3.916 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000590171255 1073658416 /nfs/dbraw/zinc/65/84/16/1073658416.db2.gz HNBCSJVHFGMSCR-QHCPKHFHSA-N 1 0 410.537 3.512 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccnc(Cc4ccc(F)cc4)n3)CC2)cc1 ZINC000590572991 1073922671 /nfs/dbraw/zinc/92/26/71/1073922671.db2.gz UKWAJSWITXTSSO-UHFFFAOYSA-N 1 0 401.489 3.790 20 30 HHEDRO C=CCN(CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)Cc1ccc(OC)cc1 ZINC000555876392 1073923556 /nfs/dbraw/zinc/92/35/56/1073923556.db2.gz JBCSSKKNUNYTSK-UHFFFAOYSA-N 1 0 421.585 3.726 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)ccc1OC ZINC000591717469 1074480968 /nfs/dbraw/zinc/48/09/68/1074480968.db2.gz PIQOBWFGHOBDRU-UHFFFAOYSA-N 1 0 400.441 3.683 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC1 ZINC000592071151 1074687235 /nfs/dbraw/zinc/68/72/35/1074687235.db2.gz COVKDHGONMFHJK-UHFFFAOYSA-N 1 0 403.611 3.789 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000592069157 1074687244 /nfs/dbraw/zinc/68/72/44/1074687244.db2.gz MGJLGUZXZNQQTI-UHFFFAOYSA-N 1 0 412.917 3.716 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000592071206 1074687824 /nfs/dbraw/zinc/68/78/24/1074687824.db2.gz LJAQQNCOKQGNOG-CQSZACIVSA-N 1 0 410.345 3.503 20 30 HHEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)CC2)o1 ZINC000573983970 1074748384 /nfs/dbraw/zinc/74/83/84/1074748384.db2.gz LYGFKZFXKZDBDI-UHFFFAOYSA-N 1 0 421.545 3.738 20 30 HHEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000574089522 1075162378 /nfs/dbraw/zinc/16/23/78/1075162378.db2.gz NCMLCTVYJWMMHX-GOSISDBHSA-N 1 0 424.932 3.569 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000574476457 1075252088 /nfs/dbraw/zinc/25/20/88/1075252088.db2.gz CAUHISBVCGJMQH-XMMPIXPASA-N 1 0 413.521 3.650 20 30 HHEDRO C=CC[N@@H+](CCC(=O)NCc1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596337699 1075554762 /nfs/dbraw/zinc/55/47/62/1075554762.db2.gz LHTGDHOQZGIAOD-KRWDZBQOSA-N 1 0 424.936 3.571 20 30 HHEDRO CCCc1cc(C#N)c(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1Cl ZINC001164617018 719027817 /nfs/dbraw/zinc/02/78/17/719027817.db2.gz IVVZCKRUMSKEEO-UHFFFAOYSA-N 1 0 418.969 3.803 20 30 HHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628415 719069362 /nfs/dbraw/zinc/06/93/62/719069362.db2.gz RPWRDASOSHNTJU-XLIONFOSSA-N 1 0 424.932 3.884 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c(Cl)nn2)c1 ZINC001164625548 719126299 /nfs/dbraw/zinc/12/62/99/719126299.db2.gz YFYYMQSGCRMCSC-HOCLYGCPSA-N 1 0 421.854 3.727 20 30 HHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1C#N)CC2 ZINC001164712548 720132689 /nfs/dbraw/zinc/13/26/89/720132689.db2.gz NKQPLYQEJRJRBL-FQEVSTJZSA-N 1 0 411.937 3.509 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001164810290 720200221 /nfs/dbraw/zinc/20/02/21/720200221.db2.gz BGVLQZKFKVBCKY-OFVILXPXSA-N 1 0 408.590 3.752 20 30 HHEDRO N#C[C@H](c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723968 720404608 /nfs/dbraw/zinc/40/46/08/720404608.db2.gz IIPODJCCRVCVJE-VJBMBRPKSA-N 1 0 414.488 3.519 20 30 HHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c12 ZINC001164736037 720536822 /nfs/dbraw/zinc/53/68/22/720536822.db2.gz UOBORMHGVDFFON-AWEZNQCLSA-N 1 0 412.900 3.602 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(Cl)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836703 720544720 /nfs/dbraw/zinc/54/47/20/720544720.db2.gz KSMDHTNWJXSPEQ-SOLBZPMBSA-N 1 0 419.360 3.834 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3ccc(C#N)cc31)CC2 ZINC001164840955 720672060 /nfs/dbraw/zinc/67/20/60/720672060.db2.gz OHJSLQDILHXFPK-NRFANRHFSA-N 1 0 413.525 3.761 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)[C@@H]2C ZINC001164861279 720966145 /nfs/dbraw/zinc/96/61/45/720966145.db2.gz SGLVYYIBXISKSS-CYBMUJFWSA-N 1 0 408.884 3.769 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1C#N)[C@H]2C ZINC001164856283 720987483 /nfs/dbraw/zinc/98/74/83/720987483.db2.gz AOXGUKGALYCWJC-ZDUSSCGKSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1ccc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164964833 722054771 /nfs/dbraw/zinc/05/47/71/722054771.db2.gz YFGVKUDTMGCUDZ-UHFFFAOYSA-N 1 0 413.525 3.620 20 30 HHEDRO N#Cc1ccccc1COc1cccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000524237835 1013047477 /nfs/dbraw/zinc/04/74/77/1013047477.db2.gz DLZWWAAEXSWQCA-OAQYLSRUSA-N 1 0 405.542 3.728 20 30 HHEDRO Cc1cc(C)c2ncc(C#N)c(NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)c2c1 ZINC000301564002 970981217 /nfs/dbraw/zinc/98/12/17/970981217.db2.gz VQPQIHBNVYVCJA-UHFFFAOYSA-N 1 0 407.562 3.762 20 30 HHEDRO C=CCOC[C@H]1NC(=O)N(Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000553087443 1013055669 /nfs/dbraw/zinc/05/56/69/1013055669.db2.gz LXLOGJABANRIGH-HSZRJFAPSA-N 1 0 419.525 3.572 20 30 HHEDRO Cc1ccc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(OCC[NH+](C)C)c1 ZINC000524252111 1013062669 /nfs/dbraw/zinc/06/26/69/1013062669.db2.gz AZQNZPRZKSBOLI-UHFFFAOYSA-N 1 0 422.529 3.882 20 30 HHEDRO N#Cc1cc(Br)ccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302888847 971373075 /nfs/dbraw/zinc/37/30/75/971373075.db2.gz ORTRJYMCGKCPTK-LJQANCHMSA-N 1 0 400.320 3.890 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000303385757 971675402 /nfs/dbraw/zinc/67/54/02/971675402.db2.gz NQYLGBNIRUDKTQ-RBUKOAKNSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1ccccc1CN1CCOCC1)c1ccc(Cl)cc1Cl ZINC000303776714 972021118 /nfs/dbraw/zinc/02/11/18/972021118.db2.gz IATJXYKGIDPWIU-HNNXBMFYSA-N 1 0 421.372 3.991 20 30 HHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000303777510 972021892 /nfs/dbraw/zinc/02/18/92/972021892.db2.gz IWBLZQIFDQIYFW-IBGZPJMESA-N 1 0 400.523 3.522 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000303813628 972047557 /nfs/dbraw/zinc/04/75/57/972047557.db2.gz LPQIZMGEDWVUIS-UHFFFAOYSA-N 1 0 406.534 3.501 20 30 HHEDRO Cn1c(Cc2cccs2)nc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc21 ZINC000553208182 1013170339 /nfs/dbraw/zinc/17/03/39/1013170339.db2.gz SSNASDPQABQWIB-UHFFFAOYSA-N 1 0 409.559 3.533 20 30 HHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629208 1013181297 /nfs/dbraw/zinc/18/12/97/1013181297.db2.gz ZULRRWSECHHIHX-MRXNPFEDSA-N 1 0 403.465 3.941 20 30 HHEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630335 1013184393 /nfs/dbraw/zinc/18/43/93/1013184393.db2.gz QAHRYNXSVLEDPQ-MRXNPFEDSA-N 1 0 403.465 3.941 20 30 HHEDRO C[NH+](C)C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553219467 1013186381 /nfs/dbraw/zinc/18/63/81/1013186381.db2.gz YZVNPOPLPYAHNY-PXNSSMCTSA-N 1 0 414.912 3.596 20 30 HHEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000303864808 972406949 /nfs/dbraw/zinc/40/69/49/972406949.db2.gz BGIQEDAWIFYDFR-IBGZPJMESA-N 1 0 422.451 3.694 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2cc3c(c(Br)c2)OCO3)cc1Cl ZINC000303864981 972407048 /nfs/dbraw/zinc/40/70/48/972407048.db2.gz BLGYFBINCAFVOO-UHFFFAOYSA-N 1 0 412.671 3.767 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2cccnc2Oc2cccc(F)c2)cc1OC ZINC000303876400 972417295 /nfs/dbraw/zinc/41/72/95/972417295.db2.gz FABGCCSZZVBIJX-UHFFFAOYSA-N 1 0 410.449 3.635 20 30 HHEDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)cn2)C[C@H](C)O1 ZINC000303876466 972417502 /nfs/dbraw/zinc/41/75/02/972417502.db2.gz FBADIMMBYPKTKQ-OKILXGFUSA-N 1 0 423.439 3.521 20 30 HHEDRO C[C@H](NC(=[NH2+])NC[C@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000303902277 972472168 /nfs/dbraw/zinc/47/21/68/972472168.db2.gz XTRVFZZSXAHCKV-FZMZJTMJSA-N 1 0 400.281 3.538 20 30 HHEDRO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303907147 972477911 /nfs/dbraw/zinc/47/79/11/972477911.db2.gz WOHWJMBWSRPGQC-UHFFFAOYSA-N 1 0 408.424 3.994 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1COc2ccccc2O1 ZINC000011225193 962035789 /nfs/dbraw/zinc/03/57/89/962035789.db2.gz OFICHEISRYWQHL-OAHLLOKOSA-N 1 0 411.527 3.599 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000542425613 1013377880 /nfs/dbraw/zinc/37/78/80/1013377880.db2.gz TXYIDHJKFHXIHL-OALUTQOASA-N 1 0 422.529 3.710 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OCCOC)[NH+](C)C)cc1 ZINC000542422781 1013375287 /nfs/dbraw/zinc/37/52/87/1013375287.db2.gz SXEJDYAZEAHBKN-NRFANRHFSA-N 1 0 410.518 3.570 20 30 HHEDRO C[N@H+](CCc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1)C1CC1 ZINC000553464328 1013375492 /nfs/dbraw/zinc/37/54/92/1013375492.db2.gz HIDJFKUXZDSJBE-LJQANCHMSA-N 1 0 406.505 3.799 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)CCCC2)CC1 ZINC000542424425 1013376815 /nfs/dbraw/zinc/37/68/15/1013376815.db2.gz LQRMJTOAHBHYTH-UHFFFAOYSA-N 1 0 410.562 3.656 20 30 HHEDRO CC1CC(C#N)(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)C1 ZINC000537828204 1013391289 /nfs/dbraw/zinc/39/12/89/1013391289.db2.gz VFVMUDCPBOKBAG-UHFFFAOYSA-N 1 0 402.542 3.930 20 30 HHEDRO COc1cc(OC)c2ncc(C#N)c(NCC3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000553517278 1013416529 /nfs/dbraw/zinc/41/65/29/1013416529.db2.gz ZRMOFYHKRHLRRV-UHFFFAOYSA-N 1 0 403.486 3.847 20 30 HHEDRO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000542473223 1013421170 /nfs/dbraw/zinc/42/11/70/1013421170.db2.gz UEMKBGKJJMQDRR-FUHWJXTLSA-N 1 0 411.477 3.569 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000553537800 1013434199 /nfs/dbraw/zinc/43/41/99/1013434199.db2.gz SJGUKRPSIXOMBE-QDSKXPNFSA-N 1 0 419.569 3.979 20 30 HHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(CO)c2)cc1C ZINC000022735197 963706111 /nfs/dbraw/zinc/70/61/11/963706111.db2.gz UYXRAQVQNLQKED-UHFFFAOYSA-O 1 0 419.570 3.854 20 30 HHEDRO COCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022791707 963718122 /nfs/dbraw/zinc/71/81/22/963718122.db2.gz VYHMACICXAUVDI-UHFFFAOYSA-O 1 0 403.955 3.681 20 30 HHEDRO COCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 ZINC000022794114 963718771 /nfs/dbraw/zinc/71/87/71/963718771.db2.gz SLKBYAIVCLXIIO-UHFFFAOYSA-O 1 0 409.575 3.516 20 30 HHEDRO COc1ccc(CCNC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2ccccc2)cc1 ZINC000022802275 963719768 /nfs/dbraw/zinc/71/97/68/963719768.db2.gz ZIWUHCSYGUMYAS-UHFFFAOYSA-O 1 0 422.574 3.709 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000023139134 963774147 /nfs/dbraw/zinc/77/41/47/963774147.db2.gz RQWXORPJJHVARH-MRXNPFEDSA-N 1 0 412.921 3.760 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000542569426 1013510404 /nfs/dbraw/zinc/51/04/04/1013510404.db2.gz OQCCMRPWRSWZSF-GJZGRUSLSA-N 1 0 400.548 3.786 20 30 HHEDRO COc1ccc(C(=O)C(C(=S)Nc2ccc3c(c2)OCCO3)[n+]2ccccc2)cc1 ZINC000028649286 965145717 /nfs/dbraw/zinc/14/57/17/965145717.db2.gz HLUOSIIOBKDOFG-UHFFFAOYSA-O 1 0 421.498 3.805 20 30 HHEDRO N#Cc1ccc(NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000029172885 965295566 /nfs/dbraw/zinc/29/55/66/965295566.db2.gz FIWGQENXBSRVKH-UHFFFAOYSA-N 1 0 403.452 3.986 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)CC1 ZINC000553710838 1013563990 /nfs/dbraw/zinc/56/39/90/1013563990.db2.gz BJHATLXOOCRHLO-OAQYLSRUSA-N 1 0 411.546 3.711 20 30 HHEDRO N#CC1(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000029364830 965358738 /nfs/dbraw/zinc/35/87/38/965358738.db2.gz LYVWUAADFCIXFJ-UHFFFAOYSA-N 1 0 402.542 3.709 20 30 HHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000054392891 965500889 /nfs/dbraw/zinc/50/08/89/965500889.db2.gz DMEAWFIYPRWHGU-KRWDZBQOSA-N 1 0 419.504 3.989 20 30 HHEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000055083226 965750352 /nfs/dbraw/zinc/75/03/52/965750352.db2.gz FMKIQJHBMGFJPL-JOCHJYFZSA-N 1 0 418.541 3.735 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1COc2ccccc2O1 ZINC000058490597 965752678 /nfs/dbraw/zinc/75/26/78/965752678.db2.gz GBSMQTAXXGEOFU-HNNXBMFYSA-N 1 0 411.527 3.599 20 30 HHEDRO C=CCOc1ccccc1C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000030653533 965756025 /nfs/dbraw/zinc/75/60/25/965756025.db2.gz LZYILJSSLMJIAW-UHFFFAOYSA-N 1 0 400.544 3.503 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000058560445 965784254 /nfs/dbraw/zinc/78/42/54/965784254.db2.gz FIDYCBHLYRVGEG-KRWDZBQOSA-N 1 0 406.408 3.924 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000059850192 966035941 /nfs/dbraw/zinc/03/59/41/966035941.db2.gz ZXBNVTMUMHQBKH-GOSISDBHSA-N 1 0 406.555 3.947 20 30 HHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(OC)c1OC ZINC000060575935 966212329 /nfs/dbraw/zinc/21/23/29/966212329.db2.gz DNZSTDMKNDBHSP-UHFFFAOYSA-N 1 0 407.514 3.508 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000060607630 966227304 /nfs/dbraw/zinc/22/73/04/966227304.db2.gz UTIPDRIBUDGULX-ROUUACIJSA-N 1 0 418.541 3.600 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000032446389 966257094 /nfs/dbraw/zinc/25/70/94/966257094.db2.gz GPVKQCJOWKVSLL-QFIPXVFZSA-N 1 0 408.542 3.756 20 30 HHEDRO C=C(C)COc1cc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)ccc1OC ZINC000060792001 966291104 /nfs/dbraw/zinc/29/11/04/966291104.db2.gz SVYJMIWYPJXSDN-UNOMPAQXSA-N 1 0 418.584 3.946 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(OC)c1 ZINC000032761510 966324342 /nfs/dbraw/zinc/32/43/42/966324342.db2.gz YXIQQNXHYFDTLR-SFHVURJKSA-N 1 0 400.544 3.817 20 30 HHEDRO CCC[N@H+](CC(=O)N(CC)Cc1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000061001744 966348203 /nfs/dbraw/zinc/34/82/03/966348203.db2.gz XKMZBEAEIFFPQX-UHFFFAOYSA-N 1 0 407.514 3.590 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(-c4csnn4)cc3)CC2)cc1 ZINC000056787270 966462964 /nfs/dbraw/zinc/46/29/64/966462964.db2.gz NHGJXIHTUOFCRA-UHFFFAOYSA-N 1 0 418.526 3.817 20 30 HHEDRO C=CCOc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000061568279 966504355 /nfs/dbraw/zinc/50/43/55/966504355.db2.gz YOMBOZQSYPDKKD-UHFFFAOYSA-N 1 0 400.544 3.964 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000056932873 966518988 /nfs/dbraw/zinc/51/89/88/966518988.db2.gz KICLVNTXKBXDIJ-QFIPXVFZSA-N 1 0 406.530 3.935 20 30 HHEDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000062155693 966620176 /nfs/dbraw/zinc/62/01/76/966620176.db2.gz WNNZYDVTMZRISI-UHFFFAOYSA-N 1 0 423.582 3.715 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000063320449 966816518 /nfs/dbraw/zinc/81/65/18/966816518.db2.gz OXJKJNSOEZZNNU-UHFFFAOYSA-N 1 0 403.530 3.839 20 30 HHEDRO CSc1cccc(F)c1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000553892092 1013679459 /nfs/dbraw/zinc/67/94/59/1013679459.db2.gz LIMBDANZZIHUNE-UHFFFAOYSA-N 1 0 412.534 3.837 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000063402400 966844715 /nfs/dbraw/zinc/84/47/15/966844715.db2.gz VQJZHBQZYMPJKS-SFHVURJKSA-N 1 0 408.502 3.739 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000063424021 966852104 /nfs/dbraw/zinc/85/21/04/966852104.db2.gz BXZIIZPNXJFYSP-UHFFFAOYSA-N 1 0 416.525 3.697 20 30 HHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(CC)cc1 ZINC000063440579 966857857 /nfs/dbraw/zinc/85/78/57/966857857.db2.gz XWQNESHEVLFOMO-UHFFFAOYSA-O 1 0 400.568 3.876 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(C#N)cc1 ZINC000063753968 966947677 /nfs/dbraw/zinc/94/76/77/966947677.db2.gz HDPUSQCKINSBQH-UHFFFAOYSA-N 1 0 401.894 3.697 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538130537 1013692223 /nfs/dbraw/zinc/69/22/23/1013692223.db2.gz BFXNIJQCUNAXBT-GOSISDBHSA-N 1 0 404.514 3.932 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[NH+]2CCCC2)o1 ZINC000542838498 1013700498 /nfs/dbraw/zinc/70/04/98/1013700498.db2.gz CEVFVHDJDKACCE-LJQANCHMSA-N 1 0 422.464 3.743 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[NH+](C)C)cc1 ZINC000542839133 1013701028 /nfs/dbraw/zinc/70/10/28/1013701028.db2.gz UFCFZLRVGOQSHV-FQEVSTJZSA-N 1 0 406.465 3.616 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)CC2)cc1 ZINC000542840327 1013702065 /nfs/dbraw/zinc/70/20/65/1013702065.db2.gz ZUBUOSWDDZGJNL-UHFFFAOYSA-N 1 0 415.541 3.769 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000064351796 967151225 /nfs/dbraw/zinc/15/12/25/967151225.db2.gz UFWPFDXEZDVEAI-OAQYLSRUSA-N 1 0 424.614 3.860 20 30 HHEDRO C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000542841925 1013702770 /nfs/dbraw/zinc/70/27/70/1013702770.db2.gz GIUQRFCGWNGDML-GOSISDBHSA-N 1 0 401.514 3.847 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000044566514 967241232 /nfs/dbraw/zinc/24/12/32/967241232.db2.gz QAMVBAKUEIKXFH-UHFFFAOYSA-N 1 0 417.513 3.521 20 30 HHEDRO C[C@@H]1CCC[C@@](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)([NH+](C)C)C1 ZINC000553947365 1013716790 /nfs/dbraw/zinc/71/67/90/1013716790.db2.gz YCHABFUKVDMSON-UZUQRXQVSA-N 1 0 416.541 3.761 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000045192012 967376215 /nfs/dbraw/zinc/37/62/15/967376215.db2.gz XVNYSJOHYIJLAJ-UHFFFAOYSA-N 1 0 417.557 3.576 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000065284032 967427781 /nfs/dbraw/zinc/42/77/81/967427781.db2.gz RDJQWKMSEHKRNK-SFHVURJKSA-N 1 0 423.557 3.678 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538159166 1013721241 /nfs/dbraw/zinc/72/12/41/1013721241.db2.gz MJSMMGWGAQEMDD-GJZGRUSLSA-N 1 0 405.527 3.972 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cccc4cccnc43)CC2)cc1 ZINC000045411342 967453787 /nfs/dbraw/zinc/45/37/87/967453787.db2.gz XRTVGSKZKPTCDF-UHFFFAOYSA-N 1 0 413.525 3.566 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000045787380 967552516 /nfs/dbraw/zinc/55/25/16/967552516.db2.gz TVNLKKACPYXKFK-KDURUIRLSA-N 1 0 406.530 3.509 20 30 HHEDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000538177034 1013736302 /nfs/dbraw/zinc/73/63/02/1013736302.db2.gz ZDIVIONDAFRVOB-BWKNWUBXSA-N 1 0 423.557 3.940 20 30 HHEDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 ZINC000542913577 1013753462 /nfs/dbraw/zinc/75/34/62/1013753462.db2.gz NRQFRCNRIGEIHZ-HSZRJFAPSA-N 1 0 416.525 3.790 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1cccc(C)c1 ZINC000047010217 968030460 /nfs/dbraw/zinc/03/04/60/968030460.db2.gz BDGLFFGIHDCODW-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000047139618 968065926 /nfs/dbraw/zinc/06/59/26/968065926.db2.gz YMYASFIZMUNYFO-UHFFFAOYSA-N 1 0 402.542 3.897 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000542937637 1013771321 /nfs/dbraw/zinc/77/13/21/1013771321.db2.gz YMNPREWLHUDBJT-KBPBESRZSA-N 1 0 418.419 3.652 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000047281180 968120223 /nfs/dbraw/zinc/12/02/23/968120223.db2.gz XMXDTOTVLFYPQV-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO C=CCC[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000538233300 1013781921 /nfs/dbraw/zinc/78/19/21/1013781921.db2.gz PVBNGZFSGRMTQW-YKCBXCCJSA-N 1 0 400.485 3.772 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538237047 1013785277 /nfs/dbraw/zinc/78/52/77/1013785277.db2.gz HILBSOQOYRFOOV-RBUKOAKNSA-N 1 0 417.513 3.867 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000538257695 1013799396 /nfs/dbraw/zinc/79/93/96/1013799396.db2.gz OHEWVKCTPNVQFO-GOSISDBHSA-N 1 0 406.935 3.979 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOCCc3ccccc3)CC2)cc1 ZINC000048346088 968525863 /nfs/dbraw/zinc/52/58/63/968525863.db2.gz IAYQHDWTHWPAMP-UHFFFAOYSA-N 1 0 405.542 3.632 20 30 HHEDRO CCC(=O)Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048393607 968540486 /nfs/dbraw/zinc/54/04/86/968540486.db2.gz KOTHSIJPJJHOES-UHFFFAOYSA-N 1 0 405.502 3.647 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000065930857 968721639 /nfs/dbraw/zinc/72/16/39/968721639.db2.gz XUPRSFWXTLSODZ-UHFFFAOYSA-N 1 0 421.932 3.660 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000065972173 968744163 /nfs/dbraw/zinc/74/41/63/968744163.db2.gz AAEFHTGIDLIODO-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)c1 ZINC000108538002 969391010 /nfs/dbraw/zinc/39/10/10/969391010.db2.gz ACECJSBLSNJTIQ-DEOSSOPVSA-N 1 0 421.541 3.751 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1C#N ZINC000554280353 1013891680 /nfs/dbraw/zinc/89/16/80/1013891680.db2.gz IHVDHORNSMDWMI-AVRDEDQJSA-N 1 0 423.536 3.602 20 30 HHEDRO O=C(C[NH2+][C@H](CCO)c1ccc(Cl)cc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000554284239 1013893598 /nfs/dbraw/zinc/89/35/98/1013893598.db2.gz JKUBGPNSTVPSSW-LJQANCHMSA-N 1 0 424.850 3.540 20 30 HHEDRO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110291007 969648961 /nfs/dbraw/zinc/64/89/61/969648961.db2.gz FNUVTWIZPJEFLP-UHFFFAOYSA-N 1 0 424.589 3.688 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1Cl ZINC000554374765 1013925236 /nfs/dbraw/zinc/92/52/36/1013925236.db2.gz ZHEYSEDNQHHXNC-DZGCQCFKSA-N 1 0 409.964 3.777 20 30 HHEDRO CCOc1cc2c(cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000195713679 969975511 /nfs/dbraw/zinc/97/55/11/969975511.db2.gz MAPIGRHDHQBHHB-QGZVFWFLSA-N 1 0 422.529 3.876 20 30 HHEDRO Cc1noc2nc(C(C)C)cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c12 ZINC000195724627 969983754 /nfs/dbraw/zinc/98/37/54/969983754.db2.gz WCKQRXIEUWXRQN-UHFFFAOYSA-N 1 0 405.502 3.730 20 30 HHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000139252976 970026545 /nfs/dbraw/zinc/02/65/45/970026545.db2.gz JEIYVVLHHMLDNG-UHFFFAOYSA-N 1 0 402.542 3.502 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CC[NH+](CC(C)C)CC2)cc1C ZINC000139950892 970055179 /nfs/dbraw/zinc/05/51/79/970055179.db2.gz OBZGCEDAJARJBY-UHFFFAOYSA-N 1 0 407.562 3.931 20 30 HHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)ccc1OC ZINC000237019019 970207955 /nfs/dbraw/zinc/20/79/55/970207955.db2.gz WVLRUYIMUWSGRZ-IBGZPJMESA-N 1 0 401.551 3.893 20 30 HHEDRO CCOc1c(OC)cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000237062731 970215531 /nfs/dbraw/zinc/21/55/31/970215531.db2.gz IKZXEWJVLULLAG-SFHVURJKSA-N 1 0 413.493 3.872 20 30 HHEDRO CCOc1c(OC)cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000237059715 970215595 /nfs/dbraw/zinc/21/55/95/970215595.db2.gz IKZXEWJVLULLAG-GOSISDBHSA-N 1 0 413.493 3.872 20 30 HHEDRO COc1ccc(C[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)cc1OCCCC#N ZINC000147172556 970320935 /nfs/dbraw/zinc/32/09/35/970320935.db2.gz CDZJUDPTVACKLH-UHFFFAOYSA-N 1 0 405.502 3.865 20 30 HHEDRO N#Cc1csc(C[NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000237683244 970338977 /nfs/dbraw/zinc/33/89/77/970338977.db2.gz MEOHPFSIORCYAM-UHFFFAOYSA-N 1 0 408.493 3.940 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000554594430 1013985611 /nfs/dbraw/zinc/98/56/11/1013985611.db2.gz IMLSEFLRUBFAIS-OAQYLSRUSA-N 1 0 405.546 3.731 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000237979302 970410497 /nfs/dbraw/zinc/41/04/97/970410497.db2.gz AHPDYPGLYWCNCU-UHFFFAOYSA-N 1 0 415.493 3.753 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000238070867 970434749 /nfs/dbraw/zinc/43/47/49/970434749.db2.gz IHJQCDNDSQXYKH-QFIPXVFZSA-N 1 0 406.457 3.806 20 30 HHEDRO CC[NH+]1CCC(NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000261379657 970636231 /nfs/dbraw/zinc/63/62/31/970636231.db2.gz XAKFMYYCXRGUHU-UHFFFAOYSA-N 1 0 422.554 3.503 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000303975082 972561150 /nfs/dbraw/zinc/56/11/50/972561150.db2.gz IMWBMCXFXBPRFX-UHFFFAOYSA-N 1 0 415.365 3.796 20 30 HHEDRO COc1cccc(C(=O)NCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304478127 972601673 /nfs/dbraw/zinc/60/16/73/972601673.db2.gz IFXTYNXZQXDOKP-UHFFFAOYSA-N 1 0 404.470 3.644 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(OC)c2OC2CCCC2)cc1OC ZINC000304755699 972604203 /nfs/dbraw/zinc/60/42/03/972604203.db2.gz NAMBWMXRSGJNLZ-UHFFFAOYSA-N 1 0 413.518 3.638 20 30 HHEDRO CC(C)(C)OC(=O)N[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000304757185 972604391 /nfs/dbraw/zinc/60/43/91/972604391.db2.gz ONRGAXIANVHXNP-RBUKOAKNSA-N 1 0 410.518 3.681 20 30 HHEDRO Cc1cc(C)cc(NC(=[NH2+])NCCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000304761273 972605178 /nfs/dbraw/zinc/60/51/78/972605178.db2.gz UEKKRAAQBPYDIU-UHFFFAOYSA-N 1 0 417.351 3.841 20 30 HHEDRO CS(=O)(=O)Cc1ccccc1CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304764199 972605424 /nfs/dbraw/zinc/60/54/24/972605424.db2.gz XUCQOAWOKGGPIC-UHFFFAOYSA-N 1 0 409.511 3.950 20 30 HHEDRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000305239247 972611435 /nfs/dbraw/zinc/61/14/35/972611435.db2.gz PRQLQCADRRRZOY-CYBMUJFWSA-N 1 0 416.444 3.959 20 30 HHEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379703628 972772014 /nfs/dbraw/zinc/77/20/14/972772014.db2.gz FYXSSCKRLLLQIA-QAPCUYQASA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379704691 972772455 /nfs/dbraw/zinc/77/24/55/972772455.db2.gz KBGLQDZSRNQAMW-QAPCUYQASA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379704726 972773481 /nfs/dbraw/zinc/77/34/81/972773481.db2.gz KIHWVTTXWVLBLW-QAPCUYQASA-N 1 0 403.935 3.543 20 30 HHEDRO CC(C)[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000409579493 973028191 /nfs/dbraw/zinc/02/81/91/973028191.db2.gz GHTTWNSSZUNQCJ-DEOSSOPVSA-N 1 0 413.525 3.557 20 30 HHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409766310 973242444 /nfs/dbraw/zinc/24/24/44/973242444.db2.gz DNMSAPWWSOWRHE-SFHVURJKSA-N 1 0 415.497 3.717 20 30 HHEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000410392817 973990768 /nfs/dbraw/zinc/99/07/68/973990768.db2.gz QTEOSKZENBSZLM-KRWDZBQOSA-N 1 0 403.489 3.600 20 30 HHEDRO CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+]1CCCCC1 ZINC000425966399 974070230 /nfs/dbraw/zinc/07/02/30/974070230.db2.gz KVEYBKQAJQFWHL-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000426151913 974268366 /nfs/dbraw/zinc/26/83/66/974268366.db2.gz FUEYRUQALVXNCP-UHFFFAOYSA-N 1 0 408.502 3.623 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000426602263 974556809 /nfs/dbraw/zinc/55/68/09/974556809.db2.gz GDFNIHVCMVVRKE-UHFFFAOYSA-N 1 0 424.501 3.694 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(I)c(Cl)c2)CC1 ZINC000426719101 974614248 /nfs/dbraw/zinc/61/42/48/974614248.db2.gz ZUWJFRLOKGIXJS-UHFFFAOYSA-N 1 0 418.706 3.715 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000426776235 974651820 /nfs/dbraw/zinc/65/18/20/974651820.db2.gz XGFYJIPJMYNQQN-QUCCMNQESA-N 1 0 406.592 3.701 20 30 HHEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000426789090 974660745 /nfs/dbraw/zinc/66/07/45/974660745.db2.gz ROZUTEPMQHYQIQ-QGZVFWFLSA-N 1 0 402.947 3.924 20 30 HHEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CC#Cc2ccc(Cl)cc2)C(C)C)cc1 ZINC000426999724 974811807 /nfs/dbraw/zinc/81/18/07/974811807.db2.gz LZOGEWOLQJHCII-QFIPXVFZSA-N 1 0 414.933 3.800 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427244046 975000945 /nfs/dbraw/zinc/00/09/45/975000945.db2.gz BABAUPHOZCGWGZ-UHFFFAOYSA-N 1 0 412.541 3.858 20 30 HHEDRO CCOC1(C)CC[NH+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000428726808 976012798 /nfs/dbraw/zinc/01/27/98/976012798.db2.gz AMWBLZVOJLJVTF-UHFFFAOYSA-N 1 0 412.534 3.838 20 30 HHEDRO N#CCC[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963125 976251275 /nfs/dbraw/zinc/25/12/75/976251275.db2.gz CBYNAJORJONLNJ-GOTSBHOMSA-N 1 0 406.530 3.622 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428996052 976277472 /nfs/dbraw/zinc/27/74/72/976277472.db2.gz BEGUIJHDMVAMCI-FTEYMNFISA-N 1 0 400.592 3.539 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084975 976370723 /nfs/dbraw/zinc/37/07/23/976370723.db2.gz PHUBYMPQFFJAAT-AUSIDOKSSA-N 1 0 413.525 3.714 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1C#N ZINC000429362066 976630026 /nfs/dbraw/zinc/63/00/26/976630026.db2.gz ADUOIJYNHPSJMH-KRWDZBQOSA-N 1 0 411.594 3.836 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000429462330 976734726 /nfs/dbraw/zinc/73/47/26/976734726.db2.gz QGXDERMDQMAVOU-DEOSSOPVSA-N 1 0 409.530 3.742 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429651078 976945129 /nfs/dbraw/zinc/94/51/29/976945129.db2.gz HNEIFCYETVNBKE-SVFBPWRDSA-N 1 0 405.546 3.941 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)CC1 ZINC000429667190 976965831 /nfs/dbraw/zinc/96/58/31/976965831.db2.gz WAYYRZUPONDZRB-UHFFFAOYSA-N 1 0 411.468 3.622 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429792827 977071359 /nfs/dbraw/zinc/07/13/59/977071359.db2.gz VCMYMJNLNJLTQY-FPOVZHCZSA-N 1 0 420.960 3.935 20 30 HHEDRO C=CCn1c(=O)c2ccccc2nc1SC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000430118132 977327604 /nfs/dbraw/zinc/32/76/04/977327604.db2.gz GDHPDUDMSQINGU-HXUWFJFHSA-N 1 0 421.566 3.966 20 30 HHEDRO CN(C(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1)c1ccccc1 ZINC000430357234 977499600 /nfs/dbraw/zinc/49/96/00/977499600.db2.gz VYNHPJACVNHOCW-GOSISDBHSA-N 1 0 424.932 3.572 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)CC1 ZINC000430569110 977636798 /nfs/dbraw/zinc/63/67/98/977636798.db2.gz IKOUNXDKASZWMI-UHFFFAOYSA-N 1 0 415.969 3.789 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C[C@H](C)O1 ZINC000430693127 977698807 /nfs/dbraw/zinc/69/88/07/977698807.db2.gz ZMSBGRSHOXFJFS-ROUUACIJSA-N 1 0 401.576 3.654 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000430861994 977820797 /nfs/dbraw/zinc/82/07/97/977820797.db2.gz CKLKPLWNKKGICC-UNMCSNQZSA-N 1 0 405.546 3.637 20 30 HHEDRO C=CCN1C(=O)N(C[C@H]2CC[N@H+](CCc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431071403 978002683 /nfs/dbraw/zinc/00/26/83/978002683.db2.gz PHEPFJZLISAPQV-ZEQRLZLVSA-N 1 0 417.553 3.613 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000431388029 978262225 /nfs/dbraw/zinc/26/22/25/978262225.db2.gz LCTGXFORYRBPPQ-UGKGYDQZSA-N 1 0 421.541 3.749 20 30 HHEDRO Cc1cccc(S(=O)(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C#N ZINC000431591397 978372804 /nfs/dbraw/zinc/37/28/04/978372804.db2.gz CWQRHCIBDYMMJP-UHFFFAOYSA-N 1 0 409.555 3.544 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431604547 978378921 /nfs/dbraw/zinc/37/89/21/978378921.db2.gz OIJMYWCMKLBUMM-UHFFFAOYSA-N 1 0 409.555 3.544 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000431646919 978405857 /nfs/dbraw/zinc/40/58/57/978405857.db2.gz AXYCJKMYQLSRHI-UHFFFAOYSA-N 1 0 412.578 3.869 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ncc(C#N)cc1Cl ZINC000432532461 978868556 /nfs/dbraw/zinc/86/85/56/978868556.db2.gz WRXIDUJMHUUYCU-UHFFFAOYSA-N 1 0 410.827 3.829 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000432546413 978878340 /nfs/dbraw/zinc/87/83/40/978878340.db2.gz NXEKTRAFDHRJOK-UHFFFAOYSA-N 1 0 424.570 3.757 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCCO1 ZINC000432582423 978900192 /nfs/dbraw/zinc/90/01/92/978900192.db2.gz VICSEUCVFSKZDN-SFHVURJKSA-N 1 0 409.555 3.940 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000432585824 978901382 /nfs/dbraw/zinc/90/13/82/978901382.db2.gz VMAMCMTYJLYZOG-FQEVSTJZSA-N 1 0 408.502 3.603 20 30 HHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000432719486 978947648 /nfs/dbraw/zinc/94/76/48/978947648.db2.gz RIXAWSXQKHQSCK-UHFFFAOYSA-N 1 0 418.541 3.756 20 30 HHEDRO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433019370 979043726 /nfs/dbraw/zinc/04/37/26/979043726.db2.gz NJLCJTXOXYOAKP-IBGZPJMESA-N 1 0 412.921 3.762 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000433145627 979098192 /nfs/dbraw/zinc/09/81/92/979098192.db2.gz IDVHSBZJDLRUAU-QGZVFWFLSA-N 1 0 412.534 3.738 20 30 HHEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(-c2ccccc2)no1 ZINC000433311988 979229559 /nfs/dbraw/zinc/22/95/59/979229559.db2.gz OPFJOLJZWZCKGQ-KRWDZBQOSA-N 1 0 413.485 3.802 20 30 HHEDRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433323727 979237031 /nfs/dbraw/zinc/23/70/31/979237031.db2.gz YJYGGERURAJADL-UHFFFAOYSA-N 1 0 417.517 3.678 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000433333563 979243614 /nfs/dbraw/zinc/24/36/14/979243614.db2.gz HKTCSKMFPLFYPA-NRFANRHFSA-N 1 0 404.493 3.756 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000433342106 979250431 /nfs/dbraw/zinc/25/04/31/979250431.db2.gz VBABMEYSNIWXRN-FQEVSTJZSA-N 1 0 406.921 3.881 20 30 HHEDRO CN(c1ccc(OCC[NH+]2CCCC2)cc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000433393931 979273437 /nfs/dbraw/zinc/27/34/37/979273437.db2.gz IPHHSVOBGMFVGK-UHFFFAOYSA-N 1 0 419.934 3.511 20 30 HHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000433428693 979298370 /nfs/dbraw/zinc/29/83/70/979298370.db2.gz ZPLCLDQBRARFGZ-UHFFFAOYSA-N 1 0 424.907 3.890 20 30 HHEDRO CCOC(=O)c1c(NC(=O)c2cc(C#N)cn2C)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000433514115 979350007 /nfs/dbraw/zinc/35/00/07/979350007.db2.gz YNEVOOMCVHIFBD-UHFFFAOYSA-N 1 0 414.531 3.547 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433652730 979454345 /nfs/dbraw/zinc/45/43/45/979454345.db2.gz ZCTGLXMSCJEGFG-LJQANCHMSA-N 1 0 422.426 3.916 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Nc3cccc(Br)c3)CC2)CC1 ZINC000434174890 979938412 /nfs/dbraw/zinc/93/84/12/979938412.db2.gz SAWZBJQVIGAYNC-UHFFFAOYSA-N 1 0 421.383 3.685 20 30 HHEDRO CCN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000434837897 980434276 /nfs/dbraw/zinc/43/42/76/980434276.db2.gz WBCRZLLKXCLUON-UHFFFAOYSA-N 1 0 413.485 3.530 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434842750 980438916 /nfs/dbraw/zinc/43/89/16/980438916.db2.gz LWFHNAPCLFWNOD-OAQYLSRUSA-N 1 0 408.571 3.569 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866871 980457610 /nfs/dbraw/zinc/45/76/10/980457610.db2.gz FAYZTZDBKUJYJK-KGVIQGDOSA-N 1 0 422.598 3.993 20 30 HHEDRO COC(=O)[C@@H](NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc(C#N)c1 ZINC000434881078 980465570 /nfs/dbraw/zinc/46/55/70/980465570.db2.gz SESLYUBAKJOWDF-QFIPXVFZSA-N 1 0 411.933 3.928 20 30 HHEDRO CC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000434985524 980550146 /nfs/dbraw/zinc/55/01/46/980550146.db2.gz BDLFIZGWVAGZDH-DEOSSOPVSA-N 1 0 414.557 3.955 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000435013908 980571381 /nfs/dbraw/zinc/57/13/81/980571381.db2.gz UGUAEWYWAIWXNH-JOCHJYFZSA-N 1 0 403.526 3.942 20 30 HHEDRO N#CCCn1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000435131718 980662185 /nfs/dbraw/zinc/66/21/85/980662185.db2.gz FERXOQIQECKDFN-UHFFFAOYSA-N 1 0 418.520 3.706 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000435158837 980687273 /nfs/dbraw/zinc/68/72/73/980687273.db2.gz WJWVXNJPYFITEU-IIAWOOMASA-N 1 0 415.481 3.603 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000435735369 981009333 /nfs/dbraw/zinc/00/93/33/981009333.db2.gz MIHWIIXVRVNJOQ-OAQYLSRUSA-N 1 0 423.582 3.998 20 30 HHEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000436269554 981278407 /nfs/dbraw/zinc/27/84/07/981278407.db2.gz KHSLAUNXRSZPRA-NHCUHLMSSA-N 1 0 409.534 3.646 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436387358 981341702 /nfs/dbraw/zinc/34/17/02/981341702.db2.gz KMJPGWNCEFAQQS-QGZVFWFLSA-N 1 0 408.481 3.688 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000448196438 981608305 /nfs/dbraw/zinc/60/83/05/981608305.db2.gz KNBWJVLEBWMSOV-XMSQKQJNSA-N 1 0 405.498 3.819 20 30 HHEDRO N#CCCCOc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000437055889 981727437 /nfs/dbraw/zinc/72/74/37/981727437.db2.gz PDERVSDDHMTZGE-UHFFFAOYSA-N 1 0 420.513 3.585 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448378409 981735562 /nfs/dbraw/zinc/73/55/62/981735562.db2.gz YYVXXDJYLRTDET-YKSBVNFPSA-N 1 0 400.526 3.962 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437095755 981759035 /nfs/dbraw/zinc/75/90/35/981759035.db2.gz XJOLJKOFTZMWPJ-GOSISDBHSA-N 1 0 414.575 3.544 20 30 HHEDRO Cc1c([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccccc1 ZINC000437099742 981761177 /nfs/dbraw/zinc/76/11/77/981761177.db2.gz RAEVQQIHQQBWMQ-YQHFOJDRSA-N 1 0 402.502 3.883 20 30 HHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000437160916 981809697 /nfs/dbraw/zinc/80/96/97/981809697.db2.gz USHWQJZNJBLWEP-UHFFFAOYSA-N 1 0 400.404 3.859 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448519355 981845147 /nfs/dbraw/zinc/84/51/47/981845147.db2.gz DGRGOURJSRGNQV-FLLPFDRLSA-N 1 0 422.573 3.907 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460211568 981986456 /nfs/dbraw/zinc/98/64/56/981986456.db2.gz NKULBVDTHCYPSH-RTBURBONSA-N 1 0 400.530 3.936 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437337121 981987722 /nfs/dbraw/zinc/98/77/22/981987722.db2.gz KSCYCLYAUARUGV-OAQYLSRUSA-N 1 0 422.504 3.539 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460276088 982052137 /nfs/dbraw/zinc/05/21/37/982052137.db2.gz KDFGTLPCMXUKBI-GOTSBHOMSA-N 1 0 405.542 3.915 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000437713396 982312884 /nfs/dbraw/zinc/31/28/84/982312884.db2.gz AVRVTQGBQXHRTL-UHFFFAOYSA-N 1 0 420.513 3.563 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460543353 982330256 /nfs/dbraw/zinc/33/02/56/982330256.db2.gz IKJBJMGXRURKLR-RTBURBONSA-N 1 0 411.550 3.505 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2)c1 ZINC000437773599 982347681 /nfs/dbraw/zinc/34/76/81/982347681.db2.gz MHNWEWZFYVLGLR-JPYJTQIMSA-N 1 0 419.525 3.819 20 30 HHEDRO CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1C ZINC000437776428 982349570 /nfs/dbraw/zinc/34/95/70/982349570.db2.gz QLTSOMGDTQYZMV-UHFFFAOYSA-N 1 0 402.498 3.892 20 30 HHEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2F)c1 ZINC000437945561 982478108 /nfs/dbraw/zinc/47/81/08/982478108.db2.gz FNXKGVCMHXLZFR-FQEVSTJZSA-N 1 0 406.461 3.754 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460768458 982522616 /nfs/dbraw/zinc/52/26/16/982522616.db2.gz LKYPHXUJHMIUPC-HXUWFJFHSA-N 1 0 402.546 3.551 20 30 HHEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460796218 982549184 /nfs/dbraw/zinc/54/91/84/982549184.db2.gz QWMIUUCGDYWQTI-UHFFFAOYSA-N 1 0 402.502 3.698 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460802728 982555368 /nfs/dbraw/zinc/55/53/68/982555368.db2.gz CHBROUYRNZWZDN-MJGOQNOKSA-N 1 0 401.530 3.739 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460806083 982559422 /nfs/dbraw/zinc/55/94/22/982559422.db2.gz OHRKYIBHNAJQJV-ROUUACIJSA-N 1 0 401.530 3.881 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@@H]1C ZINC000460806830 982560121 /nfs/dbraw/zinc/56/01/21/982560121.db2.gz YFBJTRTVRUGTDL-NRFANRHFSA-N 1 0 408.594 3.598 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460809142 982562641 /nfs/dbraw/zinc/56/26/41/982562641.db2.gz LWEOEZIKXJGULD-GOSISDBHSA-N 1 0 413.541 3.658 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000460886035 982624343 /nfs/dbraw/zinc/62/43/43/982624343.db2.gz UPHAJBIATKZDJS-BEFAXECRSA-N 1 0 419.367 3.747 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000438184922 982639201 /nfs/dbraw/zinc/63/92/01/982639201.db2.gz YKJLKEFJVIDEDG-LJQANCHMSA-N 1 0 404.470 3.837 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460950117 982684577 /nfs/dbraw/zinc/68/45/77/982684577.db2.gz DRPVCSKNERATBN-SFTDATJTSA-N 1 0 416.573 3.939 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000438445590 982797373 /nfs/dbraw/zinc/79/73/73/982797373.db2.gz QFYBQSOBFAIFMT-HKUYNNGSSA-N 1 0 413.484 3.760 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1)C(C)C ZINC000461198053 982913680 /nfs/dbraw/zinc/91/36/80/982913680.db2.gz VOFZJFYWNPBGIE-UHFFFAOYSA-N 1 0 411.575 3.516 20 30 HHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1C(F)(F)F ZINC000438645030 982963891 /nfs/dbraw/zinc/96/38/91/982963891.db2.gz XGNMCZOGHXNZJY-UHFFFAOYSA-N 1 0 403.408 3.758 20 30 HHEDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438654354 982971716 /nfs/dbraw/zinc/97/17/16/982971716.db2.gz HOKCHABHNSCLGQ-UHFFFAOYSA-N 1 0 400.454 3.579 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000438691376 983004981 /nfs/dbraw/zinc/00/49/81/983004981.db2.gz IFQFKJPRKIYKIL-UHFFFAOYSA-N 1 0 406.408 3.894 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000438693430 983006266 /nfs/dbraw/zinc/00/62/66/983006266.db2.gz FRZQQKYZMZXOCH-OAQYLSRUSA-N 1 0 405.502 3.563 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)N3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)on2)c1 ZINC000461454941 983121329 /nfs/dbraw/zinc/12/13/29/983121329.db2.gz JAGURBSQIFGXLP-FGZHOGPDSA-N 1 0 412.493 3.807 20 30 HHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461497567 983148949 /nfs/dbraw/zinc/14/89/49/983148949.db2.gz PYWADARHGYRGHS-SJORKVTESA-N 1 0 406.559 3.845 20 30 HHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461509551 983157391 /nfs/dbraw/zinc/15/73/91/983157391.db2.gz RRURLEAOJDPTAG-SJORKVTESA-N 1 0 406.559 3.845 20 30 HHEDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000439328162 983367448 /nfs/dbraw/zinc/36/74/48/983367448.db2.gz WXRWTRWXZKMQJA-BAGYTPMASA-N 1 0 422.598 3.725 20 30 HHEDRO CCCc1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439665489 983491383 /nfs/dbraw/zinc/49/13/83/983491383.db2.gz LIYMCWVBAXEPRE-UHFFFAOYSA-N 1 0 406.534 3.789 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)cnn1-c1cccc(C#N)c1 ZINC000439682439 983499336 /nfs/dbraw/zinc/49/93/36/983499336.db2.gz QAEOEHZKLYBSKY-LJQANCHMSA-N 1 0 408.550 3.892 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000439979410 983603627 /nfs/dbraw/zinc/60/36/27/983603627.db2.gz LZFHULSAAXIMTH-ZBWQPJPKSA-N 1 0 410.562 3.681 20 30 HHEDRO C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000440077384 983634888 /nfs/dbraw/zinc/63/48/88/983634888.db2.gz LVRQBBRIQAERDE-AVRDEDQJSA-N 1 0 423.536 3.983 20 30 HHEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000440802316 983912758 /nfs/dbraw/zinc/91/27/58/983912758.db2.gz CYRJQXLXEGGEPH-OAQYLSRUSA-N 1 0 407.514 3.809 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000440929645 983984393 /nfs/dbraw/zinc/98/43/93/983984393.db2.gz RHFOYCMLTKRURH-HXUWFJFHSA-N 1 0 416.481 3.527 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441193233 984108310 /nfs/dbraw/zinc/10/83/10/984108310.db2.gz HJXSLTQIVZJQBI-VQTJNVASSA-N 1 0 406.530 3.653 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)sc2C1 ZINC000441227637 984126285 /nfs/dbraw/zinc/12/62/85/984126285.db2.gz LYXKCEHEIDZJNM-ZACQAIPSSA-N 1 0 401.576 3.822 20 30 HHEDRO CC(C)OC(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000441261033 984144992 /nfs/dbraw/zinc/14/49/92/984144992.db2.gz ORGOFCIKCRAHKZ-UHFFFAOYSA-N 1 0 405.498 3.974 20 30 HHEDRO N#Cc1c(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCCC2 ZINC000441396376 984229533 /nfs/dbraw/zinc/22/95/33/984229533.db2.gz QOSZVIAJXDUFPU-UZLBHIALSA-N 1 0 412.603 3.776 20 30 HHEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000441773895 984444494 /nfs/dbraw/zinc/44/44/94/984444494.db2.gz CIWIZLXKWGNLAQ-UHFFFAOYSA-N 1 0 420.513 3.526 20 30 HHEDRO Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000441981266 984578438 /nfs/dbraw/zinc/57/84/38/984578438.db2.gz AJFLVIPRPYNLRQ-IRLDBZIGSA-N 1 0 409.555 3.542 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)c1C#N ZINC000441998537 984586402 /nfs/dbraw/zinc/58/64/02/984586402.db2.gz NZJYDGHNNDSRBS-ICSRJNTNSA-N 1 0 406.530 3.687 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000442244864 984766141 /nfs/dbraw/zinc/76/61/41/984766141.db2.gz QFAAATBYOOWNPX-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)CC1 ZINC000442273467 984784630 /nfs/dbraw/zinc/78/46/30/984784630.db2.gz PPYKFUGNGHXWPA-UHFFFAOYSA-N 1 0 407.514 3.801 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000462007549 984986936 /nfs/dbraw/zinc/98/69/36/984986936.db2.gz GXMSNZDVUMUHSM-LJQANCHMSA-N 1 0 417.340 3.735 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000443008464 985333679 /nfs/dbraw/zinc/33/36/79/985333679.db2.gz TZDIMIFYGXDGLI-VBQJREDUSA-N 1 0 415.481 3.603 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000443026531 985342888 /nfs/dbraw/zinc/34/28/88/985342888.db2.gz LZIOIIQJJXOOFI-UHFFFAOYSA-N 1 0 411.449 3.507 20 30 HHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000443096074 985373020 /nfs/dbraw/zinc/37/30/20/985373020.db2.gz SSTWZTBSRIEIHQ-UHFFFAOYSA-N 1 0 403.935 3.676 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000443104750 985377436 /nfs/dbraw/zinc/37/74/36/985377436.db2.gz ODDWAQIRFBKTRW-UHFFFAOYSA-N 1 0 423.460 3.520 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443126168 985392887 /nfs/dbraw/zinc/39/28/87/985392887.db2.gz YKFUYHVHUMGTBC-HNNXBMFYSA-N 1 0 403.935 3.716 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443136616 985399500 /nfs/dbraw/zinc/39/95/00/985399500.db2.gz XMOKUULDDPJOJR-SJLPKXTDSA-N 1 0 417.962 3.885 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNc3ccc(C(F)(F)F)c(C#N)n3)CC2)cc1 ZINC000443520812 985690574 /nfs/dbraw/zinc/69/05/74/985690574.db2.gz SQADNEHSBPACJK-UHFFFAOYSA-N 1 0 404.436 4.305 20 30 HHEDRO Cc1ccc([C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCCC2)cc1 ZINC000462801454 985733969 /nfs/dbraw/zinc/73/39/69/985733969.db2.gz IRZBWXQYIYAIAZ-QFIPXVFZSA-N 1 0 401.470 4.572 20 30 HHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443679052 985889862 /nfs/dbraw/zinc/88/98/62/985889862.db2.gz YRABCEILWWFYIG-PMACEKPBSA-N 1 0 421.541 3.756 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)c2)cc1 ZINC000443810905 986006749 /nfs/dbraw/zinc/00/67/49/986006749.db2.gz WGCOZROYDFGACZ-QHCPKHFHSA-N 1 0 404.514 3.629 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)CC1 ZINC000468314703 986010759 /nfs/dbraw/zinc/01/07/59/986010759.db2.gz FFMSUOJJCMANQQ-UHFFFAOYSA-N 1 0 411.502 3.554 20 30 HHEDRO COc1ccccc1-c1noc([C@@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000463208003 986179361 /nfs/dbraw/zinc/17/93/61/986179361.db2.gz VHIWYIBNDVFFEC-QGZVFWFLSA-N 1 0 417.513 3.932 20 30 HHEDRO C[N@H+](Cc1ccccc1NC(=O)CNC(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000463316374 986284454 /nfs/dbraw/zinc/28/44/54/986284454.db2.gz KAEQSWMLUFOOHY-UHFFFAOYSA-N 1 0 404.514 3.691 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000463433856 986409713 /nfs/dbraw/zinc/40/97/13/986409713.db2.gz ZATDTPLRVSHQGO-QUCCMNQESA-N 1 0 400.592 3.550 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463438986 986415477 /nfs/dbraw/zinc/41/54/77/986415477.db2.gz XUGHGSWRYVEFNW-RDPSFJRHSA-N 1 0 412.599 3.968 20 30 HHEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000444235292 986423704 /nfs/dbraw/zinc/42/37/04/986423704.db2.gz FMTRRDFFVGQGIK-OAQYLSRUSA-N 1 0 401.514 3.944 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000468710593 986425528 /nfs/dbraw/zinc/42/55/28/986425528.db2.gz HLMSRJSEOLODRD-UHFFFAOYSA-N 1 0 422.529 3.630 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)C[C@H](C)O1 ZINC000468814029 986523139 /nfs/dbraw/zinc/52/31/39/986523139.db2.gz CLRCMYWFOXINTI-ROUUACIJSA-N 1 0 422.529 3.565 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)on2)c1 ZINC000468892061 986598011 /nfs/dbraw/zinc/59/80/11/986598011.db2.gz GKJUIUBQVVTKTA-UHFFFAOYSA-N 1 0 414.509 3.994 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2)CC1 ZINC000468913506 986620900 /nfs/dbraw/zinc/62/09/00/986620900.db2.gz JELBJYIRYQHPOC-UHFFFAOYSA-N 1 0 415.541 3.945 20 30 HHEDRO CCOC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000468923654 986629944 /nfs/dbraw/zinc/62/99/44/986629944.db2.gz JHSCAIVTYDRAIB-NYHFZMIOSA-N 1 0 413.905 3.649 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000468953241 986657119 /nfs/dbraw/zinc/65/71/19/986657119.db2.gz KZVMTPDAIBPYKO-JKSUJKDBSA-N 1 0 408.477 3.680 20 30 HHEDRO C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444543448 986732617 /nfs/dbraw/zinc/73/26/17/986732617.db2.gz FHXGICKSICTAAL-KRWDZBQOSA-N 1 0 409.555 3.627 20 30 HHEDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000444794718 986950612 /nfs/dbraw/zinc/95/06/12/986950612.db2.gz KNIHNYLARDUJBR-MRXNPFEDSA-N 1 0 411.575 3.830 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1CC(C)(C)O ZINC000444831503 986988647 /nfs/dbraw/zinc/98/86/47/986988647.db2.gz ZQIJLGJIMPYECD-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000469322519 987032251 /nfs/dbraw/zinc/03/22/51/987032251.db2.gz QJNDADGTZXGPFV-GOSISDBHSA-N 1 0 408.571 3.938 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469494559 987174117 /nfs/dbraw/zinc/17/41/17/987174117.db2.gz VDCWWKOZMSLCHW-LIRRHRJNSA-N 1 0 405.420 3.763 20 30 HHEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000469772691 987424169 /nfs/dbraw/zinc/42/41/69/987424169.db2.gz PBGMBVOPKMOSJB-OALUTQOASA-N 1 0 406.596 3.606 20 30 HHEDRO CS[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000445600193 987669840 /nfs/dbraw/zinc/66/98/40/987669840.db2.gz IRJDXPALHUTGQF-ROUUACIJSA-N 1 0 404.486 3.724 20 30 HHEDRO N#Cc1cc(F)c(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c(F)c1 ZINC000445798565 987859769 /nfs/dbraw/zinc/85/97/69/987859769.db2.gz IMSMHGUZXWQONI-UHFFFAOYSA-N 1 0 412.440 3.903 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21)c1ccccc1 ZINC000445808521 987868390 /nfs/dbraw/zinc/86/83/90/987868390.db2.gz BBSGGKBBXTWIBW-JOCHJYFZSA-N 1 0 416.525 3.725 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)[C@H](C)c3cccc(C#N)c3)CC2)c1C ZINC000463945606 988056064 /nfs/dbraw/zinc/05/60/64/988056064.db2.gz NOKCGHCFUFMZGZ-GOSISDBHSA-N 1 0 420.557 3.805 20 30 HHEDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000470170598 988086482 /nfs/dbraw/zinc/08/64/82/988086482.db2.gz XRMGMHUGEYNVAC-HKUYNNGSSA-N 1 0 424.520 3.602 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000464108244 988229082 /nfs/dbraw/zinc/22/90/82/988229082.db2.gz CEBQWNZMRNLDBW-OAQYLSRUSA-N 1 0 421.541 3.682 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000470339371 988304530 /nfs/dbraw/zinc/30/45/30/988304530.db2.gz XQUMEXFNJREAPR-UHFFFAOYSA-N 1 0 420.473 3.761 20 30 HHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccccc1OC ZINC000470443966 988419063 /nfs/dbraw/zinc/41/90/63/988419063.db2.gz MBMFNAQFHFRIQK-UHFFFAOYSA-N 1 0 415.607 3.648 20 30 HHEDRO COC(=O)c1sc2nc(C)nc(N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1C ZINC000470498905 988493348 /nfs/dbraw/zinc/49/33/48/988493348.db2.gz AAZZHKNUZSHYCX-UHFFFAOYSA-N 1 0 423.542 3.535 20 30 HHEDRO C[N@H+](CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)Cc1ccccc1 ZINC000470537831 988542795 /nfs/dbraw/zinc/54/27/95/988542795.db2.gz MTBCOWNAZGRCGM-UHFFFAOYSA-N 1 0 419.529 3.523 20 30 HHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470538607 988544083 /nfs/dbraw/zinc/54/40/83/988544083.db2.gz RBAGBAWFCGMLQO-UHFFFAOYSA-N 1 0 411.550 3.513 20 30 HHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470555099 988568953 /nfs/dbraw/zinc/56/89/53/988568953.db2.gz FWXFKKUJTOUKFU-QZTJIDSGSA-N 1 0 411.550 3.654 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000464557136 988735232 /nfs/dbraw/zinc/73/52/32/988735232.db2.gz UVPFHVLTSOJTKB-FQEVSTJZSA-N 1 0 407.562 3.885 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)ccc21 ZINC000470844359 988922799 /nfs/dbraw/zinc/92/27/99/988922799.db2.gz LHDJVDMRASNDBI-IBGZPJMESA-N 1 0 408.546 3.863 20 30 HHEDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1(C)C ZINC000464810184 989044189 /nfs/dbraw/zinc/04/41/89/989044189.db2.gz DPRPWOCVCUJDNA-CVDCTZTESA-N 1 0 412.534 3.692 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843021 989090541 /nfs/dbraw/zinc/09/05/41/989090541.db2.gz ORVVJEUXIADMOQ-IRLDBZIGSA-N 1 0 422.548 3.915 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000471030854 989102512 /nfs/dbraw/zinc/10/25/12/989102512.db2.gz VUAWJSGHAGILBU-QGZVFWFLSA-N 1 0 402.608 3.881 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000471057269 989139706 /nfs/dbraw/zinc/13/97/06/989139706.db2.gz PKYATSZKGCCQIT-CTUHWIOQSA-N 1 0 400.526 3.657 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471087348 989182317 /nfs/dbraw/zinc/18/23/17/989182317.db2.gz SYICMCNEAODACS-KNKQGSTJSA-N 1 0 424.907 3.842 20 30 HHEDRO CCC[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000471095539 989190789 /nfs/dbraw/zinc/19/07/89/989190789.db2.gz NKVGTSVKGGVSJG-BJKOFHAPSA-N 1 0 400.526 3.754 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000464971675 989271690 /nfs/dbraw/zinc/27/16/90/989271690.db2.gz GNRNGHRSBDPHGS-UHFFFAOYSA-N 1 0 419.525 3.843 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)c1C#N ZINC000471244331 989391271 /nfs/dbraw/zinc/39/12/71/989391271.db2.gz PRZRZHFKIJFLCX-VWLOTQADSA-N 1 0 422.573 3.884 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)nc1 ZINC000471275454 989426725 /nfs/dbraw/zinc/42/67/25/989426725.db2.gz AJZFJKTXDRWYDC-NRFANRHFSA-N 1 0 412.493 3.997 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471278642 989431186 /nfs/dbraw/zinc/43/11/86/989431186.db2.gz UOUBPCKJFPMCRI-HDICACEKSA-N 1 0 412.440 3.755 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(NC(=O)N(C)C)c1C)C(C)C ZINC000471373594 989549427 /nfs/dbraw/zinc/54/94/27/989549427.db2.gz PQVXDMJYAKSSEJ-FQEVSTJZSA-N 1 0 401.555 3.909 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000471539649 989739209 /nfs/dbraw/zinc/73/92/09/989739209.db2.gz GXXJRMOLKFVULY-HSZRJFAPSA-N 1 0 421.541 3.710 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000471567887 989768861 /nfs/dbraw/zinc/76/88/61/989768861.db2.gz YTEKFTDXSHPZCH-DEOSSOPVSA-N 1 0 421.541 3.710 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000465559075 989925329 /nfs/dbraw/zinc/92/53/29/989925329.db2.gz WWUVQCKUMRFEQM-XZOQPEGZSA-N 1 0 403.530 3.527 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471747991 989943609 /nfs/dbraw/zinc/94/36/09/989943609.db2.gz GVVDPLICGQGHBM-YADARESESA-N 1 0 400.526 3.789 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000471800131 989983984 /nfs/dbraw/zinc/98/39/84/989983984.db2.gz UGUQDGPANWXTQV-GMAHTHKFSA-N 1 0 416.525 3.593 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H]1c1ccccc1 ZINC000471956796 990121283 /nfs/dbraw/zinc/12/12/83/990121283.db2.gz GDULFOCPFIJWEI-RXVVDRJESA-N 1 0 420.904 3.964 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000465802302 990184064 /nfs/dbraw/zinc/18/40/64/990184064.db2.gz BOKUEHBGEVAFRP-YADHBBJMSA-N 1 0 406.530 3.608 20 30 HHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000465897654 991025012 /nfs/dbraw/zinc/02/50/12/991025012.db2.gz WJPZYUXQQNZEHU-BJKOFHAPSA-N 1 0 420.557 3.998 20 30 HHEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)Cc2ccccc2C1 ZINC000466022138 991190195 /nfs/dbraw/zinc/19/01/95/991190195.db2.gz ZVOVTWVSLSYDPJ-DHIUTWEWSA-N 1 0 402.542 3.567 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCN(c4cccs4)CC3)sc2C1 ZINC000466464050 991754706 /nfs/dbraw/zinc/75/47/06/991754706.db2.gz JMNMGSJYHJAZKZ-HNNXBMFYSA-N 1 0 414.600 3.957 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000466852582 992168122 /nfs/dbraw/zinc/16/81/22/992168122.db2.gz AUMADAHUMXEMNO-UHFFFAOYSA-N 1 0 420.557 3.852 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000467046127 992355050 /nfs/dbraw/zinc/35/50/50/992355050.db2.gz MVWUXWCOEMZBKZ-NQIIRXRSSA-N 1 0 407.514 3.505 20 30 HHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000467121249 992435011 /nfs/dbraw/zinc/43/50/11/992435011.db2.gz VXIOWJLBILHDLE-OAQYLSRUSA-N 1 0 408.546 3.712 20 30 HHEDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000467165530 992483560 /nfs/dbraw/zinc/48/35/60/992483560.db2.gz MTYAXHKHRMMHPS-OALUTQOASA-N 1 0 412.578 3.724 20 30 HHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC2 ZINC000467212437 992536617 /nfs/dbraw/zinc/53/66/17/992536617.db2.gz XGVKJTULQDKKSR-QRVBRYPASA-N 1 0 400.592 3.966 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2cncc(Br)c2)CC1)C(C)C ZINC000467283817 992606301 /nfs/dbraw/zinc/60/63/01/992606301.db2.gz MBTANHYVFIHAGW-SFHVURJKSA-N 1 0 406.368 3.691 20 30 HHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000467296246 992622074 /nfs/dbraw/zinc/62/20/74/992622074.db2.gz AUIPDKAPMPPTRL-SFHVURJKSA-N 1 0 412.509 3.792 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000467610880 992877403 /nfs/dbraw/zinc/87/74/03/992877403.db2.gz OXMQYQBTPIYFJA-UHFFFAOYSA-N 1 0 402.539 3.700 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000467711673 992964549 /nfs/dbraw/zinc/96/45/49/992964549.db2.gz DFBSWPACLUKVIR-UHFFFAOYSA-N 1 0 410.465 3.514 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000467718462 992972152 /nfs/dbraw/zinc/97/21/52/992972152.db2.gz PNAVUDCJMPHHKS-LJQANCHMSA-N 1 0 424.541 3.890 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000467730929 992982659 /nfs/dbraw/zinc/98/26/59/992982659.db2.gz IGDKRNHGXCHKIW-UHFFFAOYSA-N 1 0 410.484 3.642 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472391688 993386967 /nfs/dbraw/zinc/38/69/67/993386967.db2.gz XYDBJYDRSAMLIF-OAQYLSRUSA-N 1 0 408.502 3.815 20 30 HHEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000472420931 993417864 /nfs/dbraw/zinc/41/78/64/993417864.db2.gz PQIOCKHJJHPDDC-UHFFFAOYSA-N 1 0 409.555 3.675 20 30 HHEDRO C=CC[N@@H+](CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)CC1CCCCC1 ZINC000472736373 993664984 /nfs/dbraw/zinc/66/49/84/993664984.db2.gz YZXNQLXFOWRIIA-UHFFFAOYSA-N 1 0 412.513 3.686 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480839369 993714336 /nfs/dbraw/zinc/71/43/36/993714336.db2.gz DVUPEJXHYAEYMD-FCHUYYIVSA-N 1 0 409.555 3.542 20 30 HHEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000481039255 993884423 /nfs/dbraw/zinc/88/44/23/993884423.db2.gz SDFYBNCCQZUNBF-QGZVFWFLSA-N 1 0 420.579 3.539 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000481151359 993985434 /nfs/dbraw/zinc/98/54/34/993985434.db2.gz RRWDHXKEADYUEG-UHFFFAOYSA-N 1 0 418.541 3.886 20 30 HHEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169848 994001608 /nfs/dbraw/zinc/00/16/08/994001608.db2.gz JDRRPDFRWUGIIY-SKPFHBQLSA-N 1 0 422.548 3.961 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000473304906 994162591 /nfs/dbraw/zinc/16/25/91/994162591.db2.gz JTWNTBOWJHJZOR-KRWDZBQOSA-N 1 0 406.555 3.804 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)c1 ZINC000473389460 994244348 /nfs/dbraw/zinc/24/43/48/994244348.db2.gz MQHYAYUCYRGBGY-JOCHJYFZSA-N 1 0 404.514 3.530 20 30 HHEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000481546973 994378986 /nfs/dbraw/zinc/37/89/86/994378986.db2.gz UWCCSRUQJUMOCQ-BTYIYWSLSA-N 1 0 423.904 3.702 20 30 HHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000473570958 994438118 /nfs/dbraw/zinc/43/81/18/994438118.db2.gz MREPPDOZOWRFAJ-QHCPKHFHSA-N 1 0 422.960 3.958 20 30 HHEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CC[NH+](CC4CC4)CC3)cc2F)c1 ZINC000481600971 994450207 /nfs/dbraw/zinc/45/02/07/994450207.db2.gz XHNNGKWJGSWYTM-UHFFFAOYSA-N 1 0 408.477 3.836 20 30 HHEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1ccc(F)c(F)c1 ZINC000481610589 994465545 /nfs/dbraw/zinc/46/55/45/994465545.db2.gz QIZDBOFMBONEQB-VGSWGCGISA-N 1 0 405.441 3.823 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000481613763 994470009 /nfs/dbraw/zinc/47/00/09/994470009.db2.gz USFHNTXOWALPCD-UHFFFAOYSA-N 1 0 415.896 3.749 20 30 HHEDRO Cc1cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481668977 994529784 /nfs/dbraw/zinc/52/97/84/994529784.db2.gz JOIADPZCXCUGLQ-IBGZPJMESA-N 1 0 406.530 3.803 20 30 HHEDRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481677549 994537383 /nfs/dbraw/zinc/53/73/83/994537383.db2.gz OEZCKAMWQUYLQU-QHCPKHFHSA-N 1 0 411.571 3.943 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481759334 994612090 /nfs/dbraw/zinc/61/20/90/994612090.db2.gz GFBQXSJYCYPMPE-NHCUHLMSSA-N 1 0 412.534 3.740 20 30 HHEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCSC1 ZINC000481791429 994639506 /nfs/dbraw/zinc/63/95/06/994639506.db2.gz BXLDQQDDWGWSGC-HSZRJFAPSA-N 1 0 424.570 3.890 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c2)CC1 ZINC000473819395 994746659 /nfs/dbraw/zinc/74/66/59/994746659.db2.gz NMXRQUOZSAXVTB-UHFFFAOYSA-N 1 0 403.530 3.897 20 30 HHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000473983429 994970039 /nfs/dbraw/zinc/97/00/39/994970039.db2.gz MHDUONVXXMRHNH-OAQYLSRUSA-N 1 0 419.525 3.679 20 30 HHEDRO CCCN(CC[NH+](C)C)C(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000482082368 995020797 /nfs/dbraw/zinc/02/07/97/995020797.db2.gz OXWXMWGWGNMKBY-UHFFFAOYSA-N 1 0 424.570 3.703 20 30 HHEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1Oc1ccccc1 ZINC000482495064 995505128 /nfs/dbraw/zinc/50/51/28/995505128.db2.gz HARKSMOJSPGCST-UBFVSLLYSA-N 1 0 405.542 3.737 20 30 HHEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000482635922 995629926 /nfs/dbraw/zinc/62/99/26/995629926.db2.gz VCGMXGCSEFFJQO-LJQANCHMSA-N 1 0 405.608 3.552 20 30 HHEDRO C[C@@H]1CCc2ccccc2N1CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000482654129 995647972 /nfs/dbraw/zinc/64/79/72/995647972.db2.gz CGQXQYBEHTXAKC-OAQYLSRUSA-N 1 0 416.569 3.892 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000482736696 995715590 /nfs/dbraw/zinc/71/55/90/995715590.db2.gz XLZDXJWVZQAFDQ-CVDCTZTESA-N 1 0 416.468 3.990 20 30 HHEDRO N#CC1(NC(=O)CCc2cc3ccccc3[nH]c2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000482738261 995716463 /nfs/dbraw/zinc/71/64/63/995716463.db2.gz VHLRGDHCZXGFAX-UHFFFAOYSA-N 1 0 414.509 3.548 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000474815306 995722431 /nfs/dbraw/zinc/72/24/31/995722431.db2.gz FDCVAPSSZOILJN-UHFFFAOYSA-N 1 0 420.557 3.805 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482779218 995743415 /nfs/dbraw/zinc/74/34/15/995743415.db2.gz VJWOQEWTKDHHPE-DHIUTWEWSA-N 1 0 419.525 3.818 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1Cl ZINC000482892388 995822616 /nfs/dbraw/zinc/82/26/16/995822616.db2.gz GBTSTOJNLPDCBX-QGZVFWFLSA-N 1 0 424.932 3.682 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000475131739 995942909 /nfs/dbraw/zinc/94/29/09/995942909.db2.gz VTLISPIOIXAJLM-LJQANCHMSA-N 1 0 411.468 3.829 20 30 HHEDRO CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475140642 995949049 /nfs/dbraw/zinc/94/90/49/995949049.db2.gz SXXNCFQSEHBJMH-NRFANRHFSA-N 1 0 415.459 3.973 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000475199297 995991891 /nfs/dbraw/zinc/99/18/91/995991891.db2.gz UJVBGHJDILCRIM-UHFFFAOYSA-N 1 0 407.558 3.898 20 30 HHEDRO CC1(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000483246801 996058554 /nfs/dbraw/zinc/05/85/54/996058554.db2.gz LQOASTSDODSZIY-HSZRJFAPSA-N 1 0 403.526 3.760 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000483306868 996090259 /nfs/dbraw/zinc/09/02/59/996090259.db2.gz UTHOFEVQXSGDRA-OAQYLSRUSA-N 1 0 407.505 3.726 20 30 HHEDRO Cc1c(Br)scc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000475389685 996108072 /nfs/dbraw/zinc/10/80/72/996108072.db2.gz PTEUBKTYHJLROT-UHFFFAOYSA-N 1 0 406.349 3.895 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483406025 996156994 /nfs/dbraw/zinc/15/69/94/996156994.db2.gz QMQDKWNFCIEHAR-FCHUYYIVSA-N 1 0 406.555 3.954 20 30 HHEDRO C[C@@H](NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000483443250 996182392 /nfs/dbraw/zinc/18/23/92/996182392.db2.gz LEKRWMOIHFKWJM-HXUWFJFHSA-N 1 0 420.557 3.990 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475588553 996234323 /nfs/dbraw/zinc/23/43/23/996234323.db2.gz XXOJCKWSZKVEBI-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000483587270 996268432 /nfs/dbraw/zinc/26/84/32/996268432.db2.gz BZZIHMUSPNGDSH-IFMALSPDSA-N 1 0 405.546 3.637 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000475666317 996287804 /nfs/dbraw/zinc/28/78/04/996287804.db2.gz IDAGWUPVLMDLGE-VWLOTQADSA-N 1 0 405.542 3.620 20 30 HHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000483736273 996357830 /nfs/dbraw/zinc/35/78/30/996357830.db2.gz XYLZOOCTECPZCZ-RBBKRZOGSA-N 1 0 406.530 3.713 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000476000971 996530549 /nfs/dbraw/zinc/53/05/49/996530549.db2.gz IKQUZCOGMLQLCE-UHFFFAOYSA-N 1 0 410.562 3.908 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000476136282 996625757 /nfs/dbraw/zinc/62/57/57/996625757.db2.gz FMYGQUICJJPTJR-JTHBVZDNSA-N 1 0 418.541 3.879 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000476236950 996696613 /nfs/dbraw/zinc/69/66/13/996696613.db2.gz LDPQXXNINRJGIS-QFIPXVFZSA-N 1 0 409.530 3.920 20 30 HHEDRO C[C@@H]1C[C@@H](CCNS(=O)(=O)CC2(C#N)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000476424788 996892641 /nfs/dbraw/zinc/89/26/41/996892641.db2.gz HOVKDDWOWARFKD-TZIWHRDSSA-N 1 0 403.592 3.681 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000476432280 996902427 /nfs/dbraw/zinc/90/24/27/996902427.db2.gz RZVHMSGLIUMCRI-OALUTQOASA-N 1 0 403.592 3.536 20 30 HHEDRO N#Cc1ccsc1NC(=O)CN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484590635 996923374 /nfs/dbraw/zinc/92/33/74/996923374.db2.gz LJCMEMDPJPSCKA-UHFFFAOYSA-N 1 0 412.603 3.782 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc(SCc2ccccc2)ns1 ZINC000476498255 996984033 /nfs/dbraw/zinc/98/40/33/996984033.db2.gz BFIBUEOQOBFJNJ-UHFFFAOYSA-N 1 0 404.565 3.530 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484669079 997008516 /nfs/dbraw/zinc/00/85/16/997008516.db2.gz JRBVVQZYMNPNFE-WSQLUGGSSA-N 1 0 414.638 3.653 20 30 HHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476713169 997255857 /nfs/dbraw/zinc/25/58/57/997255857.db2.gz PBJSSDOOQHBIGP-IEPIWIGSSA-N 1 0 412.578 3.914 20 30 HHEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000484994021 997356375 /nfs/dbraw/zinc/35/63/75/997356375.db2.gz JFFVBBWDZKRATE-IIBYNOLFSA-N 1 0 403.486 3.511 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000477047924 997685299 /nfs/dbraw/zinc/68/52/99/997685299.db2.gz JLMSXGWVVOWHCH-SFHVURJKSA-N 1 0 410.331 3.989 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000485293623 997696287 /nfs/dbraw/zinc/69/62/87/997696287.db2.gz XSFKILGIFAHJNY-ZHRRBRCNSA-N 1 0 402.498 3.753 20 30 HHEDRO Cc1ccccc1C1(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 ZINC000485304240 997710666 /nfs/dbraw/zinc/71/06/66/997710666.db2.gz QMZPKGCTZZJTQB-QHCPKHFHSA-N 1 0 403.526 3.700 20 30 HHEDRO Cc1oc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485330552 997744381 /nfs/dbraw/zinc/74/43/81/997744381.db2.gz LYFSHYHRGKSAKF-UNMCSNQZSA-N 1 0 406.530 3.693 20 30 HHEDRO Cc1oc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485330551 997744476 /nfs/dbraw/zinc/74/44/76/997744476.db2.gz LYFSHYHRGKSAKF-RBBKRZOGSA-N 1 0 406.530 3.693 20 30 HHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2NC1=O ZINC000485350432 997771276 /nfs/dbraw/zinc/77/12/76/997771276.db2.gz SADQESXNNYAHFL-LPTQZCDUSA-N 1 0 418.497 3.514 20 30 HHEDRO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477151623 997811901 /nfs/dbraw/zinc/81/19/01/997811901.db2.gz NTOXSWVGULPOFA-OAQYLSRUSA-N 1 0 424.497 3.507 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718139 998187212 /nfs/dbraw/zinc/18/72/12/998187212.db2.gz CWSZFWMKZHGGEP-FCEUIQTBSA-N 1 0 413.468 3.801 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000477541193 998259618 /nfs/dbraw/zinc/25/96/18/998259618.db2.gz ZFPVDORAUMEXPQ-UHFFFAOYSA-N 1 0 405.498 3.738 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc2ncsc2c1 ZINC000485839009 998304696 /nfs/dbraw/zinc/30/46/96/998304696.db2.gz CNVOKNNHAQWCQO-CQSZACIVSA-N 1 0 402.483 3.643 20 30 HHEDRO CCN(C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000477725095 998454139 /nfs/dbraw/zinc/45/41/39/998454139.db2.gz NQUZTELDGPAMET-MSOLQXFVSA-N 1 0 410.484 3.528 20 30 HHEDRO N#Cc1ccc(CN2CCN(C(=O)NCCCCc3ccc(F)c(F)c3)CC2)cc1 ZINC000477740353 998478550 /nfs/dbraw/zinc/47/85/50/998478550.db2.gz JOSXZRAKIQZHBW-UHFFFAOYSA-N 1 0 412.484 3.687 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000477745264 998487328 /nfs/dbraw/zinc/48/73/28/998487328.db2.gz QBAQWFRVEZXGHE-NJYVYQBISA-N 1 0 407.505 3.649 20 30 HHEDRO CCN(C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477760690 998507980 /nfs/dbraw/zinc/50/79/80/998507980.db2.gz NNILYRBXLVOSSX-KGLIPLIRSA-N 1 0 416.875 3.745 20 30 HHEDRO N#CCCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000486290119 998697716 /nfs/dbraw/zinc/69/77/16/998697716.db2.gz HNAMCKYTGXRFRZ-UHFFFAOYSA-N 1 0 423.538 3.567 20 30 HHEDRO Cn1cc(C[NH2+]CCNc2ncc(Cl)cc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000478352217 998910569 /nfs/dbraw/zinc/91/05/69/998910569.db2.gz IRLFOCUFZVCCHZ-UHFFFAOYSA-N 1 0 401.301 3.862 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000478468947 998976710 /nfs/dbraw/zinc/97/67/10/998976710.db2.gz PYPUZCBOFXNHHM-UHFFFAOYSA-N 1 0 413.481 3.668 20 30 HHEDRO CCOc1c(Cl)cccc1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000478737216 999115529 /nfs/dbraw/zinc/11/55/29/999115529.db2.gz FPTCIBUAKXNREA-UHFFFAOYSA-N 1 0 411.933 3.887 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C[C@@H](C)O1 ZINC000478791691 999143164 /nfs/dbraw/zinc/14/31/64/999143164.db2.gz CFYYJBURCUXILX-RTBURBONSA-N 1 0 418.541 3.656 20 30 HHEDRO N#Cc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000487900129 999309655 /nfs/dbraw/zinc/30/96/55/999309655.db2.gz SLIZXLBKWYXORH-UHFFFAOYSA-N 1 0 414.307 3.754 20 30 HHEDRO COc1ccc(S[C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479223541 999332351 /nfs/dbraw/zinc/33/23/51/999332351.db2.gz VRRFKBBBWNDFSW-GOSISDBHSA-N 1 0 409.555 3.850 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000488005973 999345542 /nfs/dbraw/zinc/34/55/42/999345542.db2.gz KSAQKFCMGNZHEF-UHFFFAOYSA-N 1 0 417.307 3.583 20 30 HHEDRO COc1ccc(CCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000479353768 999399828 /nfs/dbraw/zinc/39/98/28/999399828.db2.gz ZNZYUNMNALDQNA-UHFFFAOYSA-N 1 0 421.541 3.701 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)N(C)Cc3cccc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000488308241 999433321 /nfs/dbraw/zinc/43/33/21/999433321.db2.gz UKPVRJJUBKPQQN-GOTSBHOMSA-N 1 0 404.514 3.686 20 30 HHEDRO C=CCC[C@@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000488364114 999458302 /nfs/dbraw/zinc/45/83/02/999458302.db2.gz GXODVOGKIHSCMD-BJKOFHAPSA-N 1 0 419.569 3.750 20 30 HHEDRO Cc1cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479549140 999472331 /nfs/dbraw/zinc/47/23/31/999472331.db2.gz WKICLVLUEYIUCE-IBGZPJMESA-N 1 0 405.546 3.836 20 30 HHEDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1OCc1ccccc1 ZINC000488465471 999495714 /nfs/dbraw/zinc/49/57/14/999495714.db2.gz SWCCMQNBTIPGEL-ZLNRFVROSA-N 1 0 403.526 3.633 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000488502090 999509846 /nfs/dbraw/zinc/50/98/46/999509846.db2.gz RYKFAFKBHOJKMJ-KUHUBIRLSA-N 1 0 403.404 3.909 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000488877364 999634287 /nfs/dbraw/zinc/63/42/87/999634287.db2.gz ZCOUVCSXBCUHRL-KRWDZBQOSA-N 1 0 423.488 3.815 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000488883425 999636159 /nfs/dbraw/zinc/63/61/59/999636159.db2.gz ZDPSOLYOCXJISM-SFHVURJKSA-N 1 0 407.539 3.504 20 30 HHEDRO COc1ccccc1[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCCC1 ZINC000479914636 999647491 /nfs/dbraw/zinc/64/74/91/999647491.db2.gz JEEAOSQZKLGBGY-QHCPKHFHSA-N 1 0 415.541 3.894 20 30 HHEDRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480026327 999692136 /nfs/dbraw/zinc/69/21/36/999692136.db2.gz OJUWKYNXOBDYHW-IBGZPJMESA-N 1 0 401.514 3.583 20 30 HHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000480272074 999760744 /nfs/dbraw/zinc/76/07/44/999760744.db2.gz VYSLOJODXXCTCA-PBHICJAKSA-N 1 0 410.453 3.727 20 30 HHEDRO COCC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@@H]1CCO[C@@H]1C ZINC000489409402 999760843 /nfs/dbraw/zinc/76/08/43/999760843.db2.gz GLPAABLSDZLSTN-XMSQKQJNSA-N 1 0 410.514 3.772 20 30 HHEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000480297320 999765380 /nfs/dbraw/zinc/76/53/80/999765380.db2.gz UGMXUKBMWHFYSI-YCRPNKLZSA-N 1 0 406.465 3.696 20 30 HHEDRO C=CCCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000489443898 999768581 /nfs/dbraw/zinc/76/85/81/999768581.db2.gz XBJOPNFBRCZDEN-FUHWJXTLSA-N 1 0 404.498 3.974 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480624036 999843749 /nfs/dbraw/zinc/84/37/49/999843749.db2.gz PUTXZFRMAMOVBR-SWHJIRTISA-N 1 0 422.548 3.718 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C(=O)Nc4cccc(F)c4)CC3)C2=O)cc1 ZINC000489967138 999870358 /nfs/dbraw/zinc/87/03/58/999870358.db2.gz RPNLQLHBYNXBHF-JOCHJYFZSA-N 1 0 420.488 3.543 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)CC1 ZINC000490475969 999963494 /nfs/dbraw/zinc/96/34/94/999963494.db2.gz HGFDMDXNPWHTQS-UHFFFAOYSA-N 1 0 406.958 3.982 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2)cc1 ZINC000490737752 999998863 /nfs/dbraw/zinc/99/88/63/999998863.db2.gz APAABFDIXMCKES-BJKOFHAPSA-N 1 0 419.525 3.848 20 30 HHEDRO COc1cc2c(cc1OC)CC[NH+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000491116502 1000047376 /nfs/dbraw/zinc/04/73/76/1000047376.db2.gz UZBLXZAIJZVPLJ-UHFFFAOYSA-N 1 0 402.498 3.577 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CC2)cc1 ZINC000491411233 1000072809 /nfs/dbraw/zinc/07/28/09/1000072809.db2.gz YHEHVYWQHMKCNN-UHFFFAOYSA-N 1 0 417.513 3.573 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000492211013 1000115609 /nfs/dbraw/zinc/11/56/09/1000115609.db2.gz PJAAANQHHIUKLU-XLIONFOSSA-N 1 0 406.486 3.917 20 30 HHEDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccccc2C1 ZINC000492250776 1000117851 /nfs/dbraw/zinc/11/78/51/1000117851.db2.gz GSJAHGLKEYQQBN-NFBKMPQASA-N 1 0 406.505 3.749 20 30 HHEDRO C=CCNC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000492937508 1000150397 /nfs/dbraw/zinc/15/03/97/1000150397.db2.gz SOPGWUXVNKCUKT-UHFFFAOYSA-N 1 0 418.463 3.729 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)c1 ZINC000494046066 1000281946 /nfs/dbraw/zinc/28/19/46/1000281946.db2.gz DJFJYKIGGMVSNB-DHIUTWEWSA-N 1 0 420.513 3.850 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000504743858 1000351061 /nfs/dbraw/zinc/35/10/61/1000351061.db2.gz YLLXVYAZLCMGSE-JOCHJYFZSA-N 1 0 403.526 3.840 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000494217936 1000369501 /nfs/dbraw/zinc/36/95/01/1000369501.db2.gz YTZARCSWTILVKI-RBUKOAKNSA-N 1 0 420.513 3.587 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000494465358 1000506883 /nfs/dbraw/zinc/50/68/83/1000506883.db2.gz BAIYOUKJDMGCCB-TZIWHRDSSA-N 1 0 419.859 3.985 20 30 HHEDRO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494616690 1000575804 /nfs/dbraw/zinc/57/58/04/1000575804.db2.gz UKDNIEJPCMIBEK-UHFFFAOYSA-N 1 0 406.530 3.837 20 30 HHEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000494668686 1000596386 /nfs/dbraw/zinc/59/63/86/1000596386.db2.gz SHGIGODVYPOCNH-LJQANCHMSA-N 1 0 408.527 3.597 20 30 HHEDRO CC(C)C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)C ZINC000494780488 1000651680 /nfs/dbraw/zinc/65/16/80/1000651680.db2.gz QAYGIMYREXHFQV-SFHVURJKSA-N 1 0 400.567 3.722 20 30 HHEDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494996190 1000768988 /nfs/dbraw/zinc/76/89/88/1000768988.db2.gz KZXAPTXYDGTLKV-NQIIRXRSSA-N 1 0 412.578 3.867 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCC1)CCCC2 ZINC000495027476 1000787273 /nfs/dbraw/zinc/78/72/73/1000787273.db2.gz KUEVOHKWCOLGFR-RXVVDRJESA-N 1 0 410.562 3.621 20 30 HHEDRO C=CC[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1)c1ccccc1 ZINC000495114696 1000850025 /nfs/dbraw/zinc/85/00/25/1000850025.db2.gz CCMLTFIFRSIQPN-HSZRJFAPSA-N 1 0 413.606 3.820 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)CC1 ZINC000505512945 1000851206 /nfs/dbraw/zinc/85/12/06/1000851206.db2.gz LQZJZSAFXAYFDZ-UHFFFAOYSA-N 1 0 408.521 3.751 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OCC ZINC000495131743 1000871207 /nfs/dbraw/zinc/87/12/07/1000871207.db2.gz ZBJKUPLRPVEEHF-WMZOPIPTSA-N 1 0 409.368 3.939 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000505538946 1000887586 /nfs/dbraw/zinc/88/75/86/1000887586.db2.gz RLXJNDKTKMSMRP-DEOSSOPVSA-N 1 0 405.546 3.639 20 30 HHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000495344963 1000976355 /nfs/dbraw/zinc/97/63/55/1000976355.db2.gz HBIFJJQFVIEGTD-SFHVURJKSA-N 1 0 418.419 3.548 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)c1C#N ZINC000495375506 1000989753 /nfs/dbraw/zinc/98/97/53/1000989753.db2.gz YAJVJHLXTXIQKB-HSZRJFAPSA-N 1 0 422.573 3.884 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 ZINC000505778459 1001019334 /nfs/dbraw/zinc/01/93/34/1001019334.db2.gz SGTCWCQNYJMTOO-MHECFPHRSA-N 1 0 413.562 3.939 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000495513345 1001038950 /nfs/dbraw/zinc/03/89/50/1001038950.db2.gz HKMWPGRTHKMIPB-GOSISDBHSA-N 1 0 407.649 3.602 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000496273637 1001151454 /nfs/dbraw/zinc/15/14/54/1001151454.db2.gz UEVZMFARPDMMPO-QFIPXVFZSA-N 1 0 408.571 3.700 20 30 HHEDRO CC[NH+]1CCN(c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c(C)c2)CC1 ZINC000506039885 1001183207 /nfs/dbraw/zinc/18/32/07/1001183207.db2.gz DXCBVAFJVYUKKX-UHFFFAOYSA-N 1 0 406.505 3.818 20 30 HHEDRO COc1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1OCCCC#N ZINC000506164847 1001257096 /nfs/dbraw/zinc/25/70/96/1001257096.db2.gz WWGUBBBNMDUHST-UHFFFAOYSA-N 1 0 409.530 3.846 20 30 HHEDRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nn1-c1cccc(C#N)c1 ZINC000506204625 1001277643 /nfs/dbraw/zinc/27/76/43/1001277643.db2.gz GRDXFVMCJZHSOU-OAQYLSRUSA-N 1 0 405.546 3.637 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000506278795 1001325304 /nfs/dbraw/zinc/32/53/04/1001325304.db2.gz AJIUKXKPECHZLO-UHFFFAOYSA-N 1 0 416.428 3.776 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cnc4ccc(Br)cn34)CC2)cc1 ZINC000506279737 1001325584 /nfs/dbraw/zinc/32/55/84/1001325584.db2.gz GYZDCWBMDPJTRL-UHFFFAOYSA-N 1 0 424.346 3.676 20 30 HHEDRO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000506476560 1001430308 /nfs/dbraw/zinc/43/03/08/1001430308.db2.gz HRHNOGYQKYDCEI-UHFFFAOYSA-N 1 0 400.530 3.759 20 30 HHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNc1ccc(C#N)cn1 ZINC000497647188 1001471322 /nfs/dbraw/zinc/47/13/22/1001471322.db2.gz HGELJWNVSIHYJY-UHFFFAOYSA-N 1 0 420.344 3.652 20 30 HHEDRO Cc1cc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC000506681962 1001492454 /nfs/dbraw/zinc/49/24/54/1001492454.db2.gz MKWQPHHOCRPWMV-LJQANCHMSA-N 1 0 413.525 3.789 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000498142955 1001661508 /nfs/dbraw/zinc/66/15/08/1001661508.db2.gz DGNKZBKKEYIGTC-UHFFFAOYSA-N 1 0 410.562 3.540 20 30 HHEDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000498325698 1001778075 /nfs/dbraw/zinc/77/80/75/1001778075.db2.gz MCNYNXIYKLHFOJ-UHFFFAOYSA-N 1 0 407.514 3.728 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C)C(C)C ZINC000498378610 1001808715 /nfs/dbraw/zinc/80/87/15/1001808715.db2.gz WBNBQXXYSBGNNA-IBGZPJMESA-N 1 0 401.942 3.658 20 30 HHEDRO N#Cc1ccc(CCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000507275579 1001959491 /nfs/dbraw/zinc/95/94/91/1001959491.db2.gz BFMUPFMWBUAWAH-DEOSSOPVSA-N 1 0 417.553 3.536 20 30 HHEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000507425805 1002065457 /nfs/dbraw/zinc/06/54/57/1002065457.db2.gz WLGPFXYMRGYLTI-AVRDEDQJSA-N 1 0 404.514 3.677 20 30 HHEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507426642 1002066523 /nfs/dbraw/zinc/06/65/23/1002066523.db2.gz HMXRADZRLBDFHX-VGSWGCGISA-N 1 0 404.514 3.623 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000507475853 1002092958 /nfs/dbraw/zinc/09/29/58/1002092958.db2.gz IDCXIOVABRDNQA-CGBRIMPHSA-N 1 0 414.553 3.554 20 30 HHEDRO C[C@H]1CCC[C@@](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)([NH+](C)C)C1 ZINC000507555337 1002161067 /nfs/dbraw/zinc/16/10/67/1002161067.db2.gz ZDYLJHYYMNEMSM-GAJHUEQPSA-N 1 0 400.542 3.540 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1ccc(F)cc1F ZINC000507569498 1002173579 /nfs/dbraw/zinc/17/35/79/1002173579.db2.gz SNAHRVANUCBUHL-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc(Cl)c1OCC(N)=O ZINC000507733056 1002315694 /nfs/dbraw/zinc/31/56/94/1002315694.db2.gz OSWQVOYYZQCLHU-UHFFFAOYSA-N 1 0 415.921 3.743 20 30 HHEDRO Cc1nc(COc2ccc(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)cc2)no1 ZINC000507746132 1002323159 /nfs/dbraw/zinc/32/31/59/1002323159.db2.gz AJBKWIJNDVPCRX-UHFFFAOYSA-N 1 0 419.485 3.704 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000498947975 1002346551 /nfs/dbraw/zinc/34/65/51/1002346551.db2.gz ALIGSOPUMVMTKM-LJQANCHMSA-N 1 0 423.479 3.597 20 30 HHEDRO COc1ccc([C@@H](CO)N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000499020414 1002396400 /nfs/dbraw/zinc/39/64/00/1002396400.db2.gz JSVAJCVVCJFUAH-OXJNMPFZSA-N 1 0 413.543 3.551 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000507862379 1002398125 /nfs/dbraw/zinc/39/81/25/1002398125.db2.gz VLHOQRYWBCTLSW-UHFFFAOYSA-N 1 0 408.889 3.955 20 30 HHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)cc1 ZINC000507871670 1002405374 /nfs/dbraw/zinc/40/53/74/1002405374.db2.gz CWVDWTSQSBJMLA-IBGZPJMESA-N 1 0 419.529 3.729 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499126763 1002511561 /nfs/dbraw/zinc/51/15/61/1002511561.db2.gz MXVPDFJCOHVHPQ-WMZHIEFXSA-N 1 0 411.546 3.770 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)cc1 ZINC000508257155 1002777322 /nfs/dbraw/zinc/77/73/22/1002777322.db2.gz LIZAFUZHUHYZCG-UHFFFAOYSA-N 1 0 418.541 3.907 20 30 HHEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 ZINC000508269049 1002785619 /nfs/dbraw/zinc/78/56/19/1002785619.db2.gz AMANHNVRWLMKKY-FQEVSTJZSA-N 1 0 411.550 3.946 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499485090 1002872333 /nfs/dbraw/zinc/87/23/33/1002872333.db2.gz CTERPTMHNCXVLU-UHFFFAOYSA-N 1 0 421.541 3.849 20 30 HHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000508478306 1002963105 /nfs/dbraw/zinc/96/31/05/1002963105.db2.gz QJSDHVSLOXXPAV-FQEVSTJZSA-N 1 0 420.561 3.616 20 30 HHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508497854 1002980490 /nfs/dbraw/zinc/98/04/90/1002980490.db2.gz NURJCCQDYVHCQM-NHCUHLMSSA-N 1 0 423.605 3.689 20 30 HHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000508505749 1002987669 /nfs/dbraw/zinc/98/76/69/1002987669.db2.gz CSLQYOHIKKFJJE-UHFFFAOYSA-N 1 0 413.541 3.599 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000508658536 1003100607 /nfs/dbraw/zinc/10/06/07/1003100607.db2.gz RLWJHTKWHYPNIA-WRTQPQOASA-N 1 0 416.610 3.513 20 30 HHEDRO C=CCn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000508681588 1003120213 /nfs/dbraw/zinc/12/02/13/1003120213.db2.gz QVIDKMCMBGUGAH-RBBKRZOGSA-N 1 0 419.577 3.774 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508729050 1003169098 /nfs/dbraw/zinc/16/90/98/1003169098.db2.gz CUDFNPHFLDYLKT-SFHVURJKSA-N 1 0 413.566 3.970 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508731043 1003171257 /nfs/dbraw/zinc/17/12/57/1003171257.db2.gz UJQGIXQUFSOMNG-UHFFFAOYSA-N 1 0 410.349 3.880 20 30 HHEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508791370 1003220074 /nfs/dbraw/zinc/22/00/74/1003220074.db2.gz APGPSEYACYNKHD-UWJYYQICSA-N 1 0 423.561 3.601 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000499922540 1003249058 /nfs/dbraw/zinc/24/90/58/1003249058.db2.gz QZAUXWMMNJJKMU-NRFANRHFSA-N 1 0 413.562 3.696 20 30 HHEDRO C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508832990 1003255063 /nfs/dbraw/zinc/25/50/63/1003255063.db2.gz NKYLWANMMOVVJW-IBGZPJMESA-N 1 0 411.550 3.603 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H](CO)c1cccc(Cl)c1F)CCCC2 ZINC000499938256 1003261074 /nfs/dbraw/zinc/26/10/74/1003261074.db2.gz YBCCNMKOSSNCGP-MRXNPFEDSA-N 1 0 421.925 3.943 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508847010 1003268171 /nfs/dbraw/zinc/26/81/71/1003268171.db2.gz SVYHYXJHRMOCCA-UHFFFAOYSA-N 1 0 422.577 3.788 20 30 HHEDRO C=CCn1c([C@H](C)OCCOC)nnc1N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000508856035 1003276103 /nfs/dbraw/zinc/27/61/03/1003276103.db2.gz JNWUOHSPSJNKEG-MWXLCCTBSA-N 1 0 419.614 3.525 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508864701 1003285028 /nfs/dbraw/zinc/28/50/28/1003285028.db2.gz QEBKAUITDYNIKQ-MRXNPFEDSA-N 1 0 403.958 3.961 20 30 HHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508885273 1003309116 /nfs/dbraw/zinc/30/91/16/1003309116.db2.gz OACBYUJAGIRZDY-LJQANCHMSA-N 1 0 402.546 3.992 20 30 HHEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508886055 1003310191 /nfs/dbraw/zinc/31/01/91/1003310191.db2.gz WNTFJKKSMIJLDY-GOSISDBHSA-N 1 0 416.367 3.958 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000499998215 1003315285 /nfs/dbraw/zinc/31/52/85/1003315285.db2.gz GXDMTNZQMOTGIL-UZLBHIALSA-N 1 0 424.932 3.834 20 30 HHEDRO C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508901520 1003336226 /nfs/dbraw/zinc/33/62/26/1003336226.db2.gz UUXVSPBSUOQVPS-UZUQRXQVSA-N 1 0 424.520 3.942 20 30 HHEDRO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000508921830 1003360803 /nfs/dbraw/zinc/36/08/03/1003360803.db2.gz NQBKMMFMCYBGNP-UHFFFAOYSA-N 1 0 422.621 3.688 20 30 HHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508929502 1003374486 /nfs/dbraw/zinc/37/44/86/1003374486.db2.gz APNREXUYPSJVHV-UHFFFAOYSA-N 1 0 409.578 3.918 20 30 HHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508930295 1003376144 /nfs/dbraw/zinc/37/61/44/1003376144.db2.gz KREJLKFGPRLGRW-UHFFFAOYSA-N 1 0 404.562 3.935 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508937942 1003385294 /nfs/dbraw/zinc/38/52/94/1003385294.db2.gz FBKATNWULHMOCZ-GOSISDBHSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508940678 1003391635 /nfs/dbraw/zinc/39/16/35/1003391635.db2.gz ZEUBBEQGPADMQL-KRWDZBQOSA-N 1 0 401.942 3.858 20 30 HHEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000508959682 1003420497 /nfs/dbraw/zinc/42/04/97/1003420497.db2.gz GWLKXOXOOYCCMI-LJQANCHMSA-N 1 0 409.578 3.587 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508994395 1003465673 /nfs/dbraw/zinc/46/56/73/1003465673.db2.gz HADVPNDVAOFOTD-KRWDZBQOSA-N 1 0 401.942 3.858 20 30 HHEDRO C=CCn1c(CC(C)(C)C)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508994776 1003466336 /nfs/dbraw/zinc/46/63/36/1003466336.db2.gz JGESOVNHKFXIRK-OALUTQOASA-N 1 0 403.615 3.768 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000509014696 1003486674 /nfs/dbraw/zinc/48/66/74/1003486674.db2.gz YBQSNTFGWNBZSN-HJNYFJLDSA-N 1 0 409.578 3.877 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)cc1 ZINC000509348371 1003720793 /nfs/dbraw/zinc/72/07/93/1003720793.db2.gz OELNENVROIQZPG-XMMPIXPASA-N 1 0 418.541 3.948 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)CSc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000500504108 1003750941 /nfs/dbraw/zinc/75/09/41/1003750941.db2.gz RXBIAKYPTLOZFM-SFHVURJKSA-N 1 0 409.555 3.667 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000500559557 1003783279 /nfs/dbraw/zinc/78/32/79/1003783279.db2.gz HMLXADSWUSLVFY-LJQANCHMSA-N 1 0 404.436 3.676 20 30 HHEDRO Cc1onc(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000500592441 1003806231 /nfs/dbraw/zinc/80/62/31/1003806231.db2.gz ORPCZQVAAHWDOL-YWZLYKJASA-N 1 0 420.435 3.615 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C(=O)Nc2sccc2C#N)cc1 ZINC000511976095 1003931011 /nfs/dbraw/zinc/93/10/11/1003931011.db2.gz GNBCWQHMMNPJGW-UHFFFAOYSA-N 1 0 418.522 3.603 20 30 HHEDRO C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000500897294 1004036234 /nfs/dbraw/zinc/03/62/34/1004036234.db2.gz XECQZWYPRRAKNW-GPJISDRXSA-N 1 0 421.545 3.634 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000512142962 1004054093 /nfs/dbraw/zinc/05/40/93/1004054093.db2.gz OYXJQGFEGAZCLT-QGZVFWFLSA-N 1 0 421.451 3.873 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000512224370 1004124327 /nfs/dbraw/zinc/12/43/27/1004124327.db2.gz BEYKVMHLTALUJT-IKGGRYGDSA-N 1 0 400.592 3.774 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236093 1004137072 /nfs/dbraw/zinc/13/70/72/1004137072.db2.gz FJQUJQQDRSZXQB-BKMJKUGQSA-N 1 0 416.569 3.920 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)cc1Cl ZINC000509988827 1004249428 /nfs/dbraw/zinc/24/94/28/1004249428.db2.gz ILYWVSLYMHPZHZ-SFHVURJKSA-N 1 0 400.906 3.674 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(Br)s1 ZINC000510082648 1004311253 /nfs/dbraw/zinc/31/12/53/1004311253.db2.gz FWQNHWKCOLARBG-UHFFFAOYSA-N 1 0 406.349 3.515 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CC1 ZINC000501309912 1004344524 /nfs/dbraw/zinc/34/45/24/1004344524.db2.gz SEQYZNBMWUWEBE-GOSISDBHSA-N 1 0 402.420 3.612 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000510143288 1004354699 /nfs/dbraw/zinc/35/46/99/1004354699.db2.gz GQSKCLCOIQYCMI-QHCPKHFHSA-N 1 0 423.536 3.612 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCOCC1)c1ccccc1 ZINC000512516179 1004355292 /nfs/dbraw/zinc/35/52/92/1004355292.db2.gz BECQDGMYHIPYGU-GOSISDBHSA-N 1 0 423.532 3.991 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000510241604 1004418432 /nfs/dbraw/zinc/41/84/32/1004418432.db2.gz GWHWBVXLBWBOCO-UHFFFAOYSA-N 1 0 423.536 3.571 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC000512625875 1004437867 /nfs/dbraw/zinc/43/78/67/1004437867.db2.gz QSICBBWWUHUPSS-NZQKXSOJSA-N 1 0 419.573 3.535 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000510327523 1004484203 /nfs/dbraw/zinc/48/42/03/1004484203.db2.gz PREMOAYJDGQZFA-PELRDEGISA-N 1 0 413.566 3.597 20 30 HHEDRO C[N@H+](CCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000510351147 1004500545 /nfs/dbraw/zinc/50/05/45/1004500545.db2.gz NBVBROWOVAVNSS-UHFFFAOYSA-N 1 0 413.566 3.597 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000501539026 1004500658 /nfs/dbraw/zinc/50/06/58/1004500658.db2.gz VKBUWBVAYLHRDQ-QGZVFWFLSA-N 1 0 400.276 3.763 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512839930 1004600976 /nfs/dbraw/zinc/60/09/76/1004600976.db2.gz LDEDPZZNLJNBSG-MRXNPFEDSA-N 1 0 420.460 3.508 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000510509371 1004631154 /nfs/dbraw/zinc/63/11/54/1004631154.db2.gz VWQIHBKEFZUITO-FQEVSTJZSA-N 1 0 408.502 3.924 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCN(C(=O)N4CCCC4)C3)c2)c1 ZINC000512893136 1004659929 /nfs/dbraw/zinc/65/99/29/1004659929.db2.gz ADZJRGABVHLIFZ-HSZRJFAPSA-N 1 0 418.541 3.907 20 30 HHEDRO N#Cc1ncn(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC000512894735 1004662312 /nfs/dbraw/zinc/66/23/12/1004662312.db2.gz LGLIAXVVVGXCPD-UHFFFAOYSA-N 1 0 417.904 3.505 20 30 HHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+](C)C ZINC000510539892 1004672664 /nfs/dbraw/zinc/67/26/64/1004672664.db2.gz OCDHXQAICCJXMZ-CJFMBICVSA-N 1 0 420.557 3.830 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+](C)C ZINC000510539898 1004672669 /nfs/dbraw/zinc/67/26/69/1004672669.db2.gz OCDHXQAICCJXMZ-NLFFAJNJSA-N 1 0 420.557 3.830 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1C#N ZINC000501747448 1004676052 /nfs/dbraw/zinc/67/60/52/1004676052.db2.gz ZZUVLNWEPGWYAB-IBGZPJMESA-N 1 0 415.497 3.922 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+](CCO)[C@H]1CCCc3ccccc31)CCC2 ZINC000510670078 1004790715 /nfs/dbraw/zinc/79/07/15/1004790715.db2.gz UBMDEJFFTRCAHP-FQEVSTJZSA-N 1 0 409.555 3.809 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC000513120403 1004817519 /nfs/dbraw/zinc/81/75/19/1004817519.db2.gz NJDPHFNDOKMLDJ-IBGZPJMESA-N 1 0 414.571 3.962 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513185383 1004850900 /nfs/dbraw/zinc/85/09/00/1004850900.db2.gz ZFCQAMZBRPRBKV-LJQANCHMSA-N 1 0 423.460 3.959 20 30 HHEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N1CCCCCC1 ZINC000513236800 1004875227 /nfs/dbraw/zinc/87/52/27/1004875227.db2.gz OWQTUPMVZUZQKC-UHFFFAOYSA-N 1 0 416.591 3.550 20 30 HHEDRO C[N@H+](CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000510858108 1004894896 /nfs/dbraw/zinc/89/48/96/1004894896.db2.gz AMYKJYQWUHSKKD-UHFFFAOYSA-N 1 0 406.530 3.633 20 30 HHEDRO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000502153003 1004925790 /nfs/dbraw/zinc/92/57/90/1004925790.db2.gz DRQWRGVOBGJZRQ-SJORKVTESA-N 1 0 422.504 3.614 20 30 HHEDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502197632 1004952775 /nfs/dbraw/zinc/95/27/75/1004952775.db2.gz SFYCTDVNCSOXEZ-FOUBCARRSA-N 1 0 410.562 3.538 20 30 HHEDRO C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000502199722 1004954018 /nfs/dbraw/zinc/95/40/18/1004954018.db2.gz WRIJZHBFIWQHCQ-MOPGFXCFSA-N 1 0 418.541 3.517 20 30 HHEDRO CN(C(=O)C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1)C1(C#N)CCCCC1 ZINC000502218583 1004963585 /nfs/dbraw/zinc/96/35/85/1004963585.db2.gz WFTHJJWOQJJXGP-UHFFFAOYSA-N 1 0 412.456 3.532 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CCc2cccs2)CC1 ZINC000513446356 1004969894 /nfs/dbraw/zinc/96/98/94/1004969894.db2.gz DWUIJFNHICVLLF-SFHVURJKSA-N 1 0 403.617 3.573 20 30 HHEDRO COCCCNC(=O)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000511123497 1005031053 /nfs/dbraw/zinc/03/10/53/1005031053.db2.gz JCLPVMGPSUTMQR-UHFFFAOYSA-N 1 0 421.541 3.502 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000502405590 1005060995 /nfs/dbraw/zinc/06/09/95/1005060995.db2.gz JSQBZLWSJFEAGC-QHCPKHFHSA-N 1 0 419.573 3.988 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511237043 1005085848 /nfs/dbraw/zinc/08/58/48/1005085848.db2.gz VRUZGWAGYGXIDP-PMACEKPBSA-N 1 0 412.578 3.869 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000511515517 1005207378 /nfs/dbraw/zinc/20/73/78/1005207378.db2.gz WHHCVUDUXGRWTM-SFTDATJTSA-N 1 0 403.486 3.559 20 30 HHEDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000513973522 1005208566 /nfs/dbraw/zinc/20/85/66/1005208566.db2.gz YFXDCCIHEGDRDJ-UHFFFAOYSA-N 1 0 409.477 3.583 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000502877374 1005254648 /nfs/dbraw/zinc/25/46/48/1005254648.db2.gz NJTORBAUPBPSBH-OALUTQOASA-N 1 0 402.608 3.849 20 30 HHEDRO CSCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1nnc2ccccn21 ZINC000514097040 1005264105 /nfs/dbraw/zinc/26/41/05/1005264105.db2.gz ZOCARFQSKBOSRO-FQEVSTJZSA-N 1 0 406.559 3.654 20 30 HHEDRO C[NH+]1CCC(CCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000503282712 1005383415 /nfs/dbraw/zinc/38/34/15/1005383415.db2.gz KRBDBWHHYKBKMU-UHFFFAOYSA-N 1 0 405.502 3.664 20 30 HHEDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000503354997 1005396544 /nfs/dbraw/zinc/39/65/44/1005396544.db2.gz HEYGRODZPTZSGP-JPYJTQIMSA-N 1 0 413.525 3.693 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503414621 1005413246 /nfs/dbraw/zinc/41/32/46/1005413246.db2.gz YFALXWQMRKJJPR-ZUKXXSLGSA-N 1 0 411.594 3.718 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3ccc(Br)cc3)CC2)cc1 ZINC000503416062 1005413841 /nfs/dbraw/zinc/41/38/41/1005413841.db2.gz PGQBKRPOSHKEHG-UHFFFAOYSA-N 1 0 412.331 3.817 20 30 HHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCSCc3ccccc3C#N)C2)CC1 ZINC000503419251 1005414797 /nfs/dbraw/zinc/41/47/97/1005414797.db2.gz KEPMBGRCKQEZQW-FQEVSTJZSA-N 1 0 414.619 3.945 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H]2CCCC23CCOCC3)c1C#N ZINC000503426730 1005416937 /nfs/dbraw/zinc/41/69/37/1005416937.db2.gz AVDTYLYCAYVMMO-NRFANRHFSA-N 1 0 424.520 3.982 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000503491065 1005435602 /nfs/dbraw/zinc/43/56/02/1005435602.db2.gz FWSFRUXQFVJGFT-OAQYLSRUSA-N 1 0 408.502 3.924 20 30 HHEDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503520689 1005442624 /nfs/dbraw/zinc/44/26/24/1005442624.db2.gz IGXJHIYQDOBVSZ-SIKLNZKXSA-N 1 0 413.525 3.693 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000503688177 1005480890 /nfs/dbraw/zinc/48/08/90/1005480890.db2.gz GPUSIHYQNHDLFU-FQEVSTJZSA-N 1 0 419.573 3.909 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503769075 1005491394 /nfs/dbraw/zinc/49/13/94/1005491394.db2.gz ZIPXXVKFVVWHDF-IBGZPJMESA-N 1 0 408.546 3.846 20 30 HHEDRO COCCN(C(C)=O)c1nc(CN(Cc2ccc(C#N)cc2)CC(C)C)cs1 ZINC000504127233 1005557757 /nfs/dbraw/zinc/55/77/57/1005557757.db2.gz ZNQFMLCIAAKANM-UHFFFAOYSA-N 1 0 400.548 3.672 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000504353691 1005604756 /nfs/dbraw/zinc/60/47/56/1005604756.db2.gz XWYFLPAEUKPZEP-GOTSBHOMSA-N 1 0 417.509 3.621 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000531081464 1005983939 /nfs/dbraw/zinc/98/39/39/1005983939.db2.gz OFBDEKGSYACEAF-NQIIRXRSSA-N 1 0 406.530 3.687 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000534022645 1005994533 /nfs/dbraw/zinc/99/45/33/1005994533.db2.gz QITULJKRSVDBAX-YADHBBJMSA-N 1 0 401.466 3.905 20 30 HHEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531114866 1006001845 /nfs/dbraw/zinc/00/18/45/1006001845.db2.gz BMTHXQJMPLRGBK-MJGOQNOKSA-N 1 0 418.419 3.573 20 30 HHEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCCC[C@@H]1C ZINC000514695091 1006084510 /nfs/dbraw/zinc/08/45/10/1006084510.db2.gz VOUZLQHUDDXBSQ-NRFANRHFSA-N 1 0 408.594 3.598 20 30 HHEDRO CCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccccc2)CC1 ZINC000514742080 1006096593 /nfs/dbraw/zinc/09/65/93/1006096593.db2.gz DYNOQWMCCYBWPT-UHFFFAOYSA-N 1 0 400.530 3.591 20 30 HHEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c(C(F)(F)F)c1 ZINC000514820960 1006152897 /nfs/dbraw/zinc/15/28/97/1006152897.db2.gz WCKBANCBCLOINU-FQEVSTJZSA-N 1 0 407.411 3.879 20 30 HHEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000514846752 1006169855 /nfs/dbraw/zinc/16/98/55/1006169855.db2.gz LZYGTIIYVJQLLW-QGZVFWFLSA-N 1 0 422.476 3.792 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(=O)OC)c1ccccc1F ZINC000531408137 1006177836 /nfs/dbraw/zinc/17/78/36/1006177836.db2.gz FEMGOJXUDAYLDB-LJQANCHMSA-N 1 0 418.538 3.638 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000534190332 1006179677 /nfs/dbraw/zinc/17/96/77/1006179677.db2.gz OHHIOWXBUVOHAS-UHFFFAOYSA-N 1 0 419.481 3.640 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534381571 1006352196 /nfs/dbraw/zinc/35/21/96/1006352196.db2.gz YTCKIKAPJGDKTF-DOTOQJQBSA-N 1 0 401.576 3.964 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000515294107 1006382744 /nfs/dbraw/zinc/38/27/44/1006382744.db2.gz ZGUBPLXZQXRRHU-JOCHJYFZSA-N 1 0 408.571 3.928 20 30 HHEDRO COc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(Cl)c1OC ZINC000515314695 1006387459 /nfs/dbraw/zinc/38/74/59/1006387459.db2.gz KPEITBOQAJNRDV-UHFFFAOYSA-N 1 0 410.905 3.962 20 30 HHEDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356256 1006414816 /nfs/dbraw/zinc/41/48/16/1006414816.db2.gz HLOFLPBQKSAEHB-LEWJYISDSA-N 1 0 418.585 3.894 20 30 HHEDRO COc1cc(CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1OCc1cccc(C#N)c1 ZINC000538375420 1006646530 /nfs/dbraw/zinc/64/65/30/1006646530.db2.gz HRYNUTWCFZCHMG-OFNKIYASSA-N 1 0 411.571 3.623 20 30 HHEDRO CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000538395377 1006664042 /nfs/dbraw/zinc/66/40/42/1006664042.db2.gz MNFSLBRCVFXUCD-UHFFFAOYSA-N 1 0 405.542 3.861 20 30 HHEDRO O=C1[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1CC(F)(F)F ZINC000538399992 1006668551 /nfs/dbraw/zinc/66/85/51/1006668551.db2.gz AVJYYZKHDBZJIH-NSHDSACASA-N 1 0 408.264 3.977 20 30 HHEDRO C[C@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000538408655 1006676854 /nfs/dbraw/zinc/67/68/54/1006676854.db2.gz KOIRNVHDGADSFE-INIZCTEOSA-N 1 0 401.507 3.591 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1OCCCC#N ZINC000538453790 1006722853 /nfs/dbraw/zinc/72/28/53/1006722853.db2.gz ITJSXYNLOJKOKC-INIZCTEOSA-N 1 0 415.440 3.551 20 30 HHEDRO Cc1cc(NC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)nn1CCC#N ZINC000538620504 1006890302 /nfs/dbraw/zinc/89/03/02/1006890302.db2.gz KYKYXRLLWOZFSK-IBGZPJMESA-N 1 0 414.941 3.935 20 30 HHEDRO COc1ccc(C[NH2+][C@H](CO)c2cccc(Br)c2)cc1OCCCC#N ZINC000532469254 1006908385 /nfs/dbraw/zinc/90/83/85/1006908385.db2.gz KFAFQPWFSPIPOY-GOSISDBHSA-N 1 0 419.319 3.963 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000534891110 1006918797 /nfs/dbraw/zinc/91/87/97/1006918797.db2.gz CGXKYUMQAOHRIH-UHFFFAOYSA-N 1 0 412.484 3.641 20 30 HHEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000516169439 1006927353 /nfs/dbraw/zinc/92/73/53/1006927353.db2.gz YNMNINAAJDFECY-UONOGXRCSA-N 1 0 419.934 3.683 20 30 HHEDRO C[NH+](C)CCCn1c(SCC2(C#N)CC2)nc2sc3c(c2c1=O)CCCC3 ZINC000538660232 1006934150 /nfs/dbraw/zinc/93/41/50/1006934150.db2.gz LOJXMZDGNFLSQL-UHFFFAOYSA-N 1 0 402.589 3.684 20 30 HHEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516210241 1006948526 /nfs/dbraw/zinc/94/85/26/1006948526.db2.gz GLJVCOPTUNPCIO-IBGZPJMESA-N 1 0 401.532 3.503 20 30 HHEDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)Nc3ccccc3SCC#N)C2)CC1 ZINC000532511959 1006949894 /nfs/dbraw/zinc/94/98/94/1006949894.db2.gz POHVYZSITGBZFK-LJQANCHMSA-N 1 0 400.592 3.685 20 30 HHEDRO Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000516225923 1006959239 /nfs/dbraw/zinc/95/92/39/1006959239.db2.gz AORDLKANXKGQDU-NRFANRHFSA-N 1 0 420.557 3.860 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C[C@@H]1C ZINC000532568711 1007000211 /nfs/dbraw/zinc/00/02/11/1007000211.db2.gz TWPGPWOJCXXTAI-AVRDEDQJSA-N 1 0 421.589 3.768 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1C#N ZINC000532581403 1007016400 /nfs/dbraw/zinc/01/64/00/1007016400.db2.gz HGWLDRKLALZIIU-OAQYLSRUSA-N 1 0 419.573 3.855 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534979509 1007038167 /nfs/dbraw/zinc/03/81/67/1007038167.db2.gz GROZKMXHLZEPHG-UHFFFAOYSA-N 1 0 409.555 3.544 20 30 HHEDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccc(F)cc2)cc1 ZINC000532702573 1007116548 /nfs/dbraw/zinc/11/65/48/1007116548.db2.gz SYUZOBPKIHRZHE-QPPBQGQZSA-N 1 0 406.457 3.825 20 30 HHEDRO C=C(C)COc1cc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)ccc1OC ZINC000532747555 1007158028 /nfs/dbraw/zinc/15/80/28/1007158028.db2.gz NFDNOUVDQNACQC-OAQYLSRUSA-N 1 0 409.530 3.712 20 30 HHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)C2)CC1 ZINC000535141007 1007179807 /nfs/dbraw/zinc/17/98/07/1007179807.db2.gz IDAAGYBYDKPDEE-QHCPKHFHSA-N 1 0 403.526 3.941 20 30 HHEDRO C=CCc1cc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC000538979994 1007272655 /nfs/dbraw/zinc/27/26/55/1007272655.db2.gz HYQVQFDLERZDRC-UHFFFAOYSA-N 1 0 424.545 3.543 20 30 HHEDRO Cc1nc(-c2cc3c(s2)CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C3)cs1 ZINC000539001595 1007299670 /nfs/dbraw/zinc/29/96/70/1007299670.db2.gz UNLIZOMZTGCMSF-XCLFUZPHSA-N 1 0 402.589 3.981 20 30 HHEDRO CC[C@@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000516843504 1007319786 /nfs/dbraw/zinc/31/97/86/1007319786.db2.gz SLZZVGWBBQMSHI-NRFANRHFSA-N 1 0 422.598 3.924 20 30 HHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000516894888 1007334727 /nfs/dbraw/zinc/33/47/27/1007334727.db2.gz XDCFBZMBAQRTFZ-UHFFFAOYSA-N 1 0 417.303 3.741 20 30 HHEDRO N#Cc1c(NC(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)sc2c1CCCCC2 ZINC000532971841 1007340439 /nfs/dbraw/zinc/34/04/39/1007340439.db2.gz LITFKQKZDPUNLP-KRWDZBQOSA-N 1 0 400.592 3.777 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532981371 1007352651 /nfs/dbraw/zinc/35/26/51/1007352651.db2.gz BUBZRLCQODTOIG-QGZVFWFLSA-N 1 0 408.571 3.643 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000532991441 1007363666 /nfs/dbraw/zinc/36/36/66/1007363666.db2.gz UDHXBOHDOJFYAG-PGRDOPGGSA-N 1 0 405.498 3.819 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000535323336 1007376795 /nfs/dbraw/zinc/37/67/95/1007376795.db2.gz ZRNYPVQTJXWIDD-OAHLLOKOSA-N 1 0 401.345 3.540 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000533042701 1007402739 /nfs/dbraw/zinc/40/27/39/1007402739.db2.gz JAWLMTCFSKRLJG-UXHICEINSA-N 1 0 400.567 3.642 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000533049000 1007412069 /nfs/dbraw/zinc/41/20/69/1007412069.db2.gz QEVCXROZNYKZKU-SFHVURJKSA-N 1 0 419.460 3.956 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000517104585 1007416080 /nfs/dbraw/zinc/41/60/80/1007416080.db2.gz VJQQUKFCOGKRTP-QFIPXVFZSA-N 1 0 422.529 3.931 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc(CC#N)cc2)ccc1Cl ZINC000535449350 1007510926 /nfs/dbraw/zinc/51/09/26/1007510926.db2.gz BUIIXPJQKAAYKI-UHFFFAOYSA-N 1 0 412.921 3.730 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(OCc2ccccn2)c1 ZINC000539254175 1007548119 /nfs/dbraw/zinc/54/81/19/1007548119.db2.gz RNBXRNHXAUIJER-IBGZPJMESA-N 1 0 406.530 3.996 20 30 HHEDRO C[C@H]([NH2+]CC1(c2ccccc2Cl)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000517317877 1007561178 /nfs/dbraw/zinc/56/11/78/1007561178.db2.gz PSNYWXDHSBOWLK-KRWDZBQOSA-N 1 0 403.954 3.709 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000533241519 1007562276 /nfs/dbraw/zinc/56/22/76/1007562276.db2.gz ZRQYWOSUMONTFH-SFHVURJKSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000533259871 1007576163 /nfs/dbraw/zinc/57/61/63/1007576163.db2.gz MAKXZTKEOCQMHL-MSOLQXFVSA-N 1 0 414.619 3.879 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1C#N ZINC000533277439 1007589132 /nfs/dbraw/zinc/58/91/32/1007589132.db2.gz NOPCVOFSEDWAQW-NRFANRHFSA-N 1 0 411.594 3.981 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)CC1 ZINC000517376981 1007609076 /nfs/dbraw/zinc/60/90/76/1007609076.db2.gz IZXXRQQQVSQPPA-UHFFFAOYSA-N 1 0 418.541 3.590 20 30 HHEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000539333682 1007633866 /nfs/dbraw/zinc/63/38/66/1007633866.db2.gz DCJPPQSTXFAVJJ-YJBOKZPZSA-N 1 0 404.498 3.974 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000539359230 1007659977 /nfs/dbraw/zinc/65/99/77/1007659977.db2.gz IFACWRVCOWYSBA-QFIPXVFZSA-N 1 0 406.530 3.660 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c(C#N)c1C ZINC000517440169 1007661950 /nfs/dbraw/zinc/66/19/50/1007661950.db2.gz KNEPSIPFXORJFF-FASAQXTFSA-N 1 0 400.910 3.784 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+]([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)c1 ZINC000533360545 1007669033 /nfs/dbraw/zinc/66/90/33/1007669033.db2.gz NVJZJSTXRKZKCW-QFIPXVFZSA-N 1 0 420.488 3.543 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000533369588 1007678209 /nfs/dbraw/zinc/67/82/09/1007678209.db2.gz GBNDPYXYQWCRKU-UHFFFAOYSA-N 1 0 406.515 3.613 20 30 HHEDRO CCCN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000517460491 1007684915 /nfs/dbraw/zinc/68/49/15/1007684915.db2.gz HNFCDHQJXHAHRL-HSZRJFAPSA-N 1 0 411.571 3.765 20 30 HHEDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OCc3cccc(C#N)c3)c(OC)c1)CC2 ZINC000533434673 1007748301 /nfs/dbraw/zinc/74/83/01/1007748301.db2.gz LXBHOVAMRHVJLU-NRFANRHFSA-N 1 0 420.509 3.921 20 30 HHEDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000517542748 1007758688 /nfs/dbraw/zinc/75/86/88/1007758688.db2.gz NZFCSXQZRRKXOE-UHFFFAOYSA-N 1 0 421.522 3.799 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(C#N)ccc3NC3CC3)CC2)c1 ZINC000517544911 1007759828 /nfs/dbraw/zinc/75/98/28/1007759828.db2.gz BXKIIMQTTMFDAX-UHFFFAOYSA-N 1 0 403.530 3.592 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000535791919 1007797668 /nfs/dbraw/zinc/79/76/68/1007797668.db2.gz NCTCVXQGAUKKDZ-UHFFFAOYSA-N 1 0 405.542 3.521 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000533495178 1007805999 /nfs/dbraw/zinc/80/59/99/1007805999.db2.gz YMRHNXYRJXBDJK-FQEVSTJZSA-N 1 0 408.502 3.622 20 30 HHEDRO CC(C)(C)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000539528573 1007836216 /nfs/dbraw/zinc/83/62/16/1007836216.db2.gz FJYWZXPKDSHYAZ-PSCUFVCCSA-N 1 0 405.506 3.936 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000517658793 1007870977 /nfs/dbraw/zinc/87/09/77/1007870977.db2.gz RNWUKPGCUSPWOF-UHFFFAOYSA-N 1 0 402.542 3.675 20 30 HHEDRO C=CCn1c(SCC(=O)NCC(C)(C)C[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC000517663927 1007877161 /nfs/dbraw/zinc/87/71/61/1007877161.db2.gz NUIGOZMNUXTDJA-UHFFFAOYSA-N 1 0 421.998 3.581 20 30 HHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1-c1ccccn1 ZINC000533650577 1007962024 /nfs/dbraw/zinc/96/20/24/1007962024.db2.gz ZSUOSIUPEDBZHM-UHFFFAOYSA-N 1 0 414.509 3.833 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000517850314 1008010465 /nfs/dbraw/zinc/01/04/65/1008010465.db2.gz YVIYPZMEXLRILL-GOSISDBHSA-N 1 0 420.513 3.588 20 30 HHEDRO CC[NH+](CC)[C@@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000517880731 1008025751 /nfs/dbraw/zinc/02/57/51/1008025751.db2.gz RIIFYXHJXOMTEW-HSZRJFAPSA-N 1 0 418.541 3.818 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000539766628 1008083214 /nfs/dbraw/zinc/08/32/14/1008083214.db2.gz XMKRKNTWMGFZFB-IBGZPJMESA-N 1 0 406.534 3.932 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000517982224 1008085912 /nfs/dbraw/zinc/08/59/12/1008085912.db2.gz JFBNGWXZQBMASZ-UHFFFAOYSA-N 1 0 402.926 3.869 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000518005238 1008098263 /nfs/dbraw/zinc/09/82/63/1008098263.db2.gz ZEOPXSWQLWQRME-IBGZPJMESA-N 1 0 422.554 3.503 20 30 HHEDRO CCCc1nc2ccccc2n1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000539842303 1008133672 /nfs/dbraw/zinc/13/36/72/1008133672.db2.gz NSHFYPFSOXZRJD-UHFFFAOYSA-N 1 0 417.557 3.841 20 30 HHEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)cc1OC ZINC000539851077 1008139836 /nfs/dbraw/zinc/13/98/36/1008139836.db2.gz KMUNCAVACDGCBZ-QGZVFWFLSA-N 1 0 414.468 3.883 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000533948015 1008225377 /nfs/dbraw/zinc/22/53/77/1008225377.db2.gz LWVOTVYAVXQUDX-UXHICEINSA-N 1 0 401.432 3.802 20 30 HHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000518350356 1008271888 /nfs/dbraw/zinc/27/18/88/1008271888.db2.gz MRKUPUXTKIQNMR-GOSISDBHSA-N 1 0 412.493 3.922 20 30 HHEDRO CC(C)(CCC#N)C[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000518354061 1008273577 /nfs/dbraw/zinc/27/35/77/1008273577.db2.gz YVEHDMNANZFNTM-UHFFFAOYSA-N 1 0 414.413 3.975 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)cc2)nc1 ZINC000540096395 1008285212 /nfs/dbraw/zinc/28/52/12/1008285212.db2.gz FYGCVYUCEWCCMH-UHFFFAOYSA-N 1 0 413.481 3.787 20 30 HHEDRO N#Cc1ccc(CSCC(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000518411674 1008294902 /nfs/dbraw/zinc/29/49/02/1008294902.db2.gz SKIDMCFHCYHMBK-UHFFFAOYSA-N 1 0 402.523 3.688 20 30 HHEDRO CC[N@H+](CCC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1)CC(C)C ZINC000540198957 1008332759 /nfs/dbraw/zinc/33/27/59/1008332759.db2.gz NDDOUTBHIZMZCI-FQEVSTJZSA-N 1 0 402.608 3.805 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC(c2ccccc2C)c2ccccc2C)CC1 ZINC000518552490 1008345560 /nfs/dbraw/zinc/34/55/60/1008345560.db2.gz CVMGDYSTTKWVPN-UHFFFAOYSA-N 1 0 419.569 3.666 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000518578243 1008353011 /nfs/dbraw/zinc/35/30/11/1008353011.db2.gz ZVKZMCXBLGWBNA-UHFFFAOYSA-N 1 0 420.513 3.587 20 30 HHEDRO N#Cc1ccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C(F)(F)F)c1 ZINC000518623386 1008369278 /nfs/dbraw/zinc/36/92/78/1008369278.db2.gz HCQIWHUKBKFUPI-HXUWFJFHSA-N 1 0 403.448 3.958 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540309212 1008375301 /nfs/dbraw/zinc/37/53/01/1008375301.db2.gz DLBSJYMKFCWDJI-UHFFFAOYSA-N 1 0 413.525 3.894 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000540365115 1008401489 /nfs/dbraw/zinc/40/14/89/1008401489.db2.gz HJFJVHJJBGJJKN-QFIPXVFZSA-N 1 0 403.457 3.723 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540389720 1008412806 /nfs/dbraw/zinc/41/28/06/1008412806.db2.gz QQPQCFWLQZQGLM-KRWDZBQOSA-N 1 0 416.481 3.944 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000540398159 1008416323 /nfs/dbraw/zinc/41/63/23/1008416323.db2.gz NLFLMKPGKRKUBP-DLBZAZTESA-N 1 0 413.481 3.883 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000518882354 1008457986 /nfs/dbraw/zinc/45/79/86/1008457986.db2.gz WIYHYQHROLPVOQ-UHFFFAOYSA-N 1 0 407.558 3.812 20 30 HHEDRO N#Cc1ccc(C[NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000540546751 1008476096 /nfs/dbraw/zinc/47/60/96/1008476096.db2.gz BAXOQMUARDBAHR-UHFFFAOYSA-N 1 0 408.493 3.940 20 30 HHEDRO CC[C@H](C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000540558490 1008481525 /nfs/dbraw/zinc/48/15/25/1008481525.db2.gz HMJRSMDHDKENBN-PZJWPPBQSA-N 1 0 410.587 3.758 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000545448802 1008561759 /nfs/dbraw/zinc/56/17/59/1008561759.db2.gz ANKGDLALTYJTBP-UHFFFAOYSA-N 1 0 416.529 3.516 20 30 HHEDRO C=CCOCCSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000549008900 1008582073 /nfs/dbraw/zinc/58/20/73/1008582073.db2.gz FAYGXXWGAILOAR-UHFFFAOYSA-N 1 0 407.605 3.583 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)CCC#N ZINC000549116093 1008682931 /nfs/dbraw/zinc/68/29/31/1008682931.db2.gz NJHOVEMJOGMPHC-JVPBZIDWSA-N 1 0 408.949 3.743 20 30 HHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)CCN2C2CC2)c1 ZINC000549116444 1008684142 /nfs/dbraw/zinc/68/41/42/1008684142.db2.gz PLTXVGYLYSFJFE-NFBKMPQASA-N 1 0 424.932 3.726 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549117260 1008684358 /nfs/dbraw/zinc/68/43/58/1008684358.db2.gz VSDDYMITKNZCRV-ICSRJNTNSA-N 1 0 408.949 3.745 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000519285689 1008696865 /nfs/dbraw/zinc/69/68/65/1008696865.db2.gz GOPIQTLKFFLFCO-UHFFFAOYSA-N 1 0 403.530 3.865 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000549162722 1008733631 /nfs/dbraw/zinc/73/36/31/1008733631.db2.gz RTDQVTMHPGPDJV-ACJLOTCBSA-N 1 0 416.403 3.515 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549260069 1008830670 /nfs/dbraw/zinc/83/06/70/1008830670.db2.gz MFCMFYQQURITDH-UHFFFAOYSA-N 1 0 417.561 3.772 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549260246 1008830766 /nfs/dbraw/zinc/83/07/66/1008830766.db2.gz AXRZCESOVWSXCX-BGYRXZFFSA-N 1 0 424.593 3.632 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549275595 1008845723 /nfs/dbraw/zinc/84/57/23/1008845723.db2.gz FBFLSRSKJSPQLA-OAQYLSRUSA-N 1 0 422.621 3.975 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000519503643 1008874306 /nfs/dbraw/zinc/87/43/06/1008874306.db2.gz UOMLQVKYDIIDNW-QHCPKHFHSA-N 1 0 418.541 3.667 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000549332552 1008911146 /nfs/dbraw/zinc/91/11/46/1008911146.db2.gz CYHYAIGKNKNDIP-QFIPXVFZSA-N 1 0 421.541 3.607 20 30 HHEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000549340705 1008920090 /nfs/dbraw/zinc/92/00/90/1008920090.db2.gz YFZOMOOEOJREFH-IBGZPJMESA-N 1 0 416.529 3.648 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000543350343 1008936137 /nfs/dbraw/zinc/93/61/37/1008936137.db2.gz RWVNDSXLWBRUEP-LJQANCHMSA-N 1 0 422.529 3.712 20 30 HHEDRO COc1cccc([C@H]2[C@H]([NH2+]CC(=O)N(CCC#N)c3ccccc3)CCN2C2CC2)c1 ZINC000549468176 1009061611 /nfs/dbraw/zinc/06/16/11/1009061611.db2.gz IMRZAXQBJRTNGM-NOZRDPDXSA-N 1 0 418.541 3.509 20 30 HHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)CCN2C2CC2)c1 ZINC000549476304 1009073324 /nfs/dbraw/zinc/07/33/24/1009073324.db2.gz MJMRVEBLBSPECR-JTHBVZDNSA-N 1 0 424.932 3.726 20 30 HHEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000549476180 1009073414 /nfs/dbraw/zinc/07/34/14/1009073414.db2.gz JVYCXENRJZWAGR-FGZHOGPDSA-N 1 0 413.468 3.937 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549483875 1009084656 /nfs/dbraw/zinc/08/46/56/1009084656.db2.gz UZPJHLWCSFCPSE-KNQAVFIVSA-N 1 0 416.447 3.729 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2Cc2ccccc2)c1 ZINC000549494082 1009096877 /nfs/dbraw/zinc/09/68/77/1009096877.db2.gz ZYFCAFBCBUYREA-HSZRJFAPSA-N 1 0 412.541 3.930 20 30 HHEDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000519990596 1009140417 /nfs/dbraw/zinc/14/04/17/1009140417.db2.gz MGJDEJHRPQHPFV-ZDUSSCGKSA-N 1 0 404.565 3.554 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549637894 1009264431 /nfs/dbraw/zinc/26/44/31/1009264431.db2.gz MPXQCIMLRKEIPB-GHTZIAJQSA-N 1 0 411.550 3.535 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000549655043 1009282900 /nfs/dbraw/zinc/28/29/00/1009282900.db2.gz LIVMEAJJNSYANS-GOSISDBHSA-N 1 0 416.367 3.958 20 30 HHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000549656400 1009284251 /nfs/dbraw/zinc/28/42/51/1009284251.db2.gz FPPNEYNZFAEKRI-UHFFFAOYSA-N 1 0 423.605 3.578 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549699380 1009328788 /nfs/dbraw/zinc/32/87/88/1009328788.db2.gz OPGGCQFJROGVSI-OALUTQOASA-N 1 0 413.566 3.748 20 30 HHEDRO COc1ccccc1[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1noc(C)n1 ZINC000543769776 1009339950 /nfs/dbraw/zinc/33/99/50/1009339950.db2.gz GXYTXHJTAOSUTE-QHCPKHFHSA-N 1 0 417.513 3.602 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000543835442 1009397539 /nfs/dbraw/zinc/39/75/39/1009397539.db2.gz BCMOPISICYVMQC-QFIPXVFZSA-N 1 0 411.505 3.722 20 30 HHEDRO CC[NH+]1CCN(c2ccc(-c3noc(CSCc4ccc(C#N)cc4)n3)cn2)CC1 ZINC000546398925 1009412452 /nfs/dbraw/zinc/41/24/52/1009412452.db2.gz ARSJDVLKUXSBPB-UHFFFAOYSA-N 1 0 420.542 3.579 20 30 HHEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870691 1009438826 /nfs/dbraw/zinc/43/88/26/1009438826.db2.gz JLGDVFLXJPLMEG-GOSISDBHSA-N 1 0 405.523 3.854 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885195 1009460858 /nfs/dbraw/zinc/46/08/58/1009460858.db2.gz WPWMBHSRZPUESN-QFBILLFUSA-N 1 0 418.476 3.840 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)n2)c(F)c1 ZINC000543885310 1009461911 /nfs/dbraw/zinc/46/19/11/1009461911.db2.gz TXABDMPWILAUCO-UHFFFAOYSA-N 1 0 410.497 3.613 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)cc1 ZINC000520332054 1009465137 /nfs/dbraw/zinc/46/51/37/1009465137.db2.gz WYWPSNCRDQITBL-NRFANRHFSA-N 1 0 404.445 3.917 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccsc1 ZINC000543890532 1009469257 /nfs/dbraw/zinc/46/92/57/1009469257.db2.gz FURHBHWQMQFMMT-QGZVFWFLSA-N 1 0 414.922 3.883 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543893045 1009473365 /nfs/dbraw/zinc/47/33/65/1009473365.db2.gz XPZNKJMAMZPCRN-UHFFFAOYSA-N 1 0 424.455 3.618 20 30 HHEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000520422925 1009545093 /nfs/dbraw/zinc/54/50/93/1009545093.db2.gz UKUGOVKDQRHTJZ-SFHVURJKSA-N 1 0 404.514 3.606 20 30 HHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)ccc1OC ZINC000549945361 1009554345 /nfs/dbraw/zinc/55/43/45/1009554345.db2.gz GYYUPJWKPKZVDQ-UHFFFAOYSA-N 1 0 410.518 3.606 20 30 HHEDRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC[N@@H+]1C ZINC000549963473 1009570793 /nfs/dbraw/zinc/57/07/93/1009570793.db2.gz NPVNPCVXMWFHQY-HXUWFJFHSA-N 1 0 406.559 3.703 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C1 ZINC000550037139 1009633259 /nfs/dbraw/zinc/63/32/59/1009633259.db2.gz MXFVTVFYYNASKD-RBBKRZOGSA-N 1 0 422.577 3.554 20 30 HHEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)C2)CC1 ZINC000520731159 1009798452 /nfs/dbraw/zinc/79/84/52/1009798452.db2.gz BMDZVYQYUMOJRM-HXUWFJFHSA-N 1 0 420.582 3.561 20 30 HHEDRO CCN(C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546905954 1009863793 /nfs/dbraw/zinc/86/37/93/1009863793.db2.gz VPKUJMKFDLRJFR-HSZRJFAPSA-N 1 0 413.525 3.789 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@H]1CCCO1 ZINC000544460543 1010083689 /nfs/dbraw/zinc/08/36/89/1010083689.db2.gz OMSWBZNHQKVLAC-RBBKRZOGSA-N 1 0 406.530 3.713 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000521078292 1010094849 /nfs/dbraw/zinc/09/48/49/1010094849.db2.gz QTENSMGODFWJRX-UHFFFAOYSA-N 1 0 414.456 3.701 20 30 HHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@H+](C)Cc1ccccc1 ZINC000521095958 1010114532 /nfs/dbraw/zinc/11/45/32/1010114532.db2.gz ZLVZQRPNUYFRJA-SFHVURJKSA-N 1 0 403.482 3.981 20 30 HHEDRO COc1cccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1OC ZINC000521196573 1010224104 /nfs/dbraw/zinc/22/41/04/1010224104.db2.gz NMELTHXWPHVDPZ-UHFFFAOYSA-N 1 0 409.530 3.692 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C#N)cc1OC)[NH+]1CCCCC1 ZINC000547415191 1010294118 /nfs/dbraw/zinc/29/41/18/1010294118.db2.gz AIYFCRXVDCLVOI-FQEVSTJZSA-N 1 0 408.502 3.924 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000551116083 1010380013 /nfs/dbraw/zinc/38/00/13/1010380013.db2.gz PCEKXUZHRLVFDS-UHFFFAOYSA-N 1 0 419.550 3.968 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)CC1 ZINC000521577369 1010475228 /nfs/dbraw/zinc/47/52/28/1010475228.db2.gz IBZJMKRGTHGYBD-UHFFFAOYSA-N 1 0 417.351 3.632 20 30 HHEDRO Cc1nc(-c2nc(-c3ccc(N4CCC[N@@H+](C)CC4)c(Cl)c3)no2)ccc1C#N ZINC000545061875 1010587221 /nfs/dbraw/zinc/58/72/21/1010587221.db2.gz BAGVMBKUXZVEOI-UHFFFAOYSA-N 1 0 408.893 3.774 20 30 HHEDRO CC(C)[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cccc(Br)c1 ZINC000521814864 1010637236 /nfs/dbraw/zinc/63/72/36/1010637236.db2.gz PCGHQNHJQLDSLQ-UHFFFAOYSA-N 1 0 400.320 3.848 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@H](C)c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000521821764 1010642134 /nfs/dbraw/zinc/64/21/34/1010642134.db2.gz UWHGDULNXNEIFF-OAQYLSRUSA-N 1 0 404.558 3.674 20 30 HHEDRO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000521834158 1010646612 /nfs/dbraw/zinc/64/66/12/1010646612.db2.gz VGPHNWMOZFNONO-UHFFFAOYSA-N 1 0 420.534 3.972 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000521921647 1010712362 /nfs/dbraw/zinc/71/23/62/1010712362.db2.gz MHPVJYFZGOYHTB-IAGOWNOFSA-N 1 0 402.457 3.585 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000548906273 1010756786 /nfs/dbraw/zinc/75/67/86/1010756786.db2.gz YQHYNMAXADDVTH-LJQANCHMSA-N 1 0 423.586 3.622 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc(OC)c1OC ZINC000522115663 1010819798 /nfs/dbraw/zinc/81/97/98/1010819798.db2.gz LPWREXUICHLXLQ-HXOBKFHXSA-N 1 0 403.567 3.742 20 30 HHEDRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000522197234 1010861156 /nfs/dbraw/zinc/86/11/56/1010861156.db2.gz QVGLPINMMWSGBH-KRWDZBQOSA-N 1 0 407.283 3.722 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000522285455 1010906985 /nfs/dbraw/zinc/90/69/85/1010906985.db2.gz QJJCICYMSACZEE-UHFFFAOYSA-N 1 0 416.481 3.520 20 30 HHEDRO N#Cc1cccc(OCc2cccc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2)c1 ZINC000522321964 1010928940 /nfs/dbraw/zinc/92/89/40/1010928940.db2.gz UYYRJHLWHQESDV-UHFFFAOYSA-N 1 0 411.505 3.925 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000522997319 1011450837 /nfs/dbraw/zinc/45/08/37/1011450837.db2.gz XCAHRJUBCNWRHG-UHFFFAOYSA-N 1 0 421.589 3.895 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000523053543 1011522617 /nfs/dbraw/zinc/52/26/17/1011522617.db2.gz VDQXWNBKYWTTBA-ZWKOTPCHSA-N 1 0 420.513 3.668 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540864678 1011539749 /nfs/dbraw/zinc/53/97/49/1011539749.db2.gz OBSKRTQUDZXQNT-QGZVFWFLSA-N 1 0 412.563 3.994 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083422 1011553212 /nfs/dbraw/zinc/55/32/12/1011553212.db2.gz CXTIGYZSKTWMIG-ROUUACIJSA-N 1 0 420.513 3.526 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C2CCC(CO)CC2)c1C#N ZINC000536348712 1011553600 /nfs/dbraw/zinc/55/36/00/1011553600.db2.gz NLVNDJZOLYUBHS-UHFFFAOYSA-N 1 0 400.567 3.903 20 30 HHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1OC ZINC000523197131 1011685480 /nfs/dbraw/zinc/68/54/80/1011685480.db2.gz BSWKDLDYFYGOMU-JOCHJYFZSA-N 1 0 421.541 3.679 20 30 HHEDRO C[N@H+](CCCNC(=O)c1occc1COc1cccc(C#N)c1)Cc1ccccc1 ZINC000523228534 1011717189 /nfs/dbraw/zinc/71/71/89/1011717189.db2.gz JSRHDENZTJGHFU-UHFFFAOYSA-N 1 0 403.482 3.982 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[N@@H+]1Cc1ccccc1 ZINC000541098501 1011743973 /nfs/dbraw/zinc/74/39/73/1011743973.db2.gz KSCDEURZRQKHSK-APWZRJJASA-N 1 0 418.476 3.668 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(F)(c3cccnc3)CC2)c(OC)c1 ZINC000551748304 1011907384 /nfs/dbraw/zinc/90/73/84/1011907384.db2.gz OTJOTNNTDFGPKU-HXUWFJFHSA-N 1 0 400.494 3.519 20 30 HHEDRO CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000551932512 1012028645 /nfs/dbraw/zinc/02/86/45/1012028645.db2.gz WGVJQYUKRZDQED-CQSZACIVSA-N 1 0 411.303 3.912 20 30 HHEDRO C[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1Cl ZINC000552090146 1012105584 /nfs/dbraw/zinc/10/55/84/1012105584.db2.gz BUQIKXKZEFIXKT-HIFRSBDPSA-N 1 0 409.964 3.635 20 30 HHEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000536872586 1012112419 /nfs/dbraw/zinc/11/24/19/1012112419.db2.gz WDUBWVVCUWPZAW-MOPGFXCFSA-N 1 0 403.482 3.524 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000523577112 1012124597 /nfs/dbraw/zinc/12/45/97/1012124597.db2.gz BFZCOEGIKLMZPW-UHFFFAOYSA-N 1 0 409.530 3.678 20 30 HHEDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000552112865 1012129836 /nfs/dbraw/zinc/12/98/36/1012129836.db2.gz YEQARXKIXLLQJR-UHFFFAOYSA-N 1 0 403.530 3.934 20 30 HHEDRO C[C@@H](CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCCCC1 ZINC000541455333 1012215085 /nfs/dbraw/zinc/21/50/85/1012215085.db2.gz LCHKTISLYFGHHG-HNNXBMFYSA-N 1 0 400.914 3.783 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000541494394 1012270467 /nfs/dbraw/zinc/27/04/67/1012270467.db2.gz FSJMEGVINJGFCJ-FQEVSTJZSA-N 1 0 414.550 3.559 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)cc1 ZINC000552282089 1012293970 /nfs/dbraw/zinc/29/39/70/1012293970.db2.gz VOTQKDORFPCRPR-HSZRJFAPSA-N 1 0 424.495 3.586 20 30 HHEDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1OC ZINC000552282058 1012294423 /nfs/dbraw/zinc/29/44/23/1012294423.db2.gz TZAFKCZOLMBWNN-HRAATJIYSA-N 1 0 407.514 3.600 20 30 HHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000537023140 1012330840 /nfs/dbraw/zinc/33/08/40/1012330840.db2.gz MYAJTJXDWMWBCP-AWEZNQCLSA-N 1 0 415.440 3.668 20 30 HHEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000537024599 1012332761 /nfs/dbraw/zinc/33/27/61/1012332761.db2.gz RBEGNWFZYXBKGP-QGZVFWFLSA-N 1 0 403.486 3.820 20 30 HHEDRO CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000552363185 1012372581 /nfs/dbraw/zinc/37/25/81/1012372581.db2.gz FZFYBVKLFYBHMD-SFTDATJTSA-N 1 0 402.970 3.621 20 30 HHEDRO C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599868 1012393002 /nfs/dbraw/zinc/39/30/02/1012393002.db2.gz RJYJDTRKWWCASI-CEXWTWQISA-N 1 0 400.542 3.703 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067657 1012405735 /nfs/dbraw/zinc/40/57/35/1012405735.db2.gz ZFMDZRORYLABJX-OFNKIYASSA-N 1 0 406.457 3.847 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](C)C1 ZINC000523784058 1012433937 /nfs/dbraw/zinc/43/39/37/1012433937.db2.gz DBBVCRUILKVDPI-RDPSFJRHSA-N 1 0 420.557 3.740 20 30 HHEDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)cnn1C ZINC000541661337 1012489390 /nfs/dbraw/zinc/48/93/90/1012489390.db2.gz HBCFNVDPEDHXKF-MRXNPFEDSA-N 1 0 416.529 3.559 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000523877571 1012574301 /nfs/dbraw/zinc/57/43/01/1012574301.db2.gz FCYVDCVLQCKKMO-KZNAEPCWSA-N 1 0 403.567 3.598 20 30 HHEDRO C=CC[N@H+](Cc1c(C2CC2)nc2sccn12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537180804 1012589522 /nfs/dbraw/zinc/58/95/22/1012589522.db2.gz VSBDFCFYBGIBQL-OAHLLOKOSA-N 1 0 405.531 3.998 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CC1 ZINC000537226251 1012656237 /nfs/dbraw/zinc/65/62/37/1012656237.db2.gz SQPIPDYATUCBGZ-UHFFFAOYSA-N 1 0 404.408 3.523 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000537282150 1012737118 /nfs/dbraw/zinc/73/71/18/1012737118.db2.gz WNNHYKJJVWIMIS-VWKPWSFCSA-N 1 0 403.548 3.588 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3OCCn3ccnc3)CC2)cc1 ZINC000541903097 1012762820 /nfs/dbraw/zinc/76/28/20/1012762820.db2.gz OCUZHSIAGNLXDJ-UHFFFAOYSA-N 1 0 401.514 3.910 20 30 HHEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000552755179 1012763084 /nfs/dbraw/zinc/76/30/84/1012763084.db2.gz FJKQOVCFTAQNBJ-UHFFFAOYSA-N 1 0 407.470 3.917 20 30 HHEDRO N#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)s1 ZINC000537326026 1012782743 /nfs/dbraw/zinc/78/27/43/1012782743.db2.gz YYFWVJBZTGCUCZ-UHFFFAOYSA-N 1 0 401.488 3.849 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000524073445 1012836512 /nfs/dbraw/zinc/83/65/12/1012836512.db2.gz LNKGNWXHXZRMMN-QHCPKHFHSA-N 1 0 421.541 3.842 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000541973586 1012838939 /nfs/dbraw/zinc/83/89/39/1012838939.db2.gz XPTMNSSZJRXTQF-YLJYHZDGSA-N 1 0 424.570 3.827 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@H+](C)Cc1ccccc1 ZINC000542027220 1012922653 /nfs/dbraw/zinc/92/26/53/1012922653.db2.gz YTVMYDZBDOSVAG-MRXNPFEDSA-N 1 0 406.465 3.525 20 30 HHEDRO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]2CCCC[C@H]12 ZINC000542053148 1012964298 /nfs/dbraw/zinc/96/42/98/1012964298.db2.gz XVCPWNGEHGRVEJ-MOXWOTFGSA-N 1 0 424.589 3.867 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)C2=O)cc1 ZINC000542056667 1012971470 /nfs/dbraw/zinc/97/14/70/1012971470.db2.gz CSRGZSHBKBHCBM-ROUUACIJSA-N 1 0 417.435 3.606 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000524190000 1012994132 /nfs/dbraw/zinc/99/41/32/1012994132.db2.gz KOEZQDLVSPVYBY-HXUWFJFHSA-N 1 0 417.557 3.615 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[NH+](C)C)cc1 ZINC000553053764 1013027837 /nfs/dbraw/zinc/02/78/37/1013027837.db2.gz KEUCCKJKLQTYAT-NZQKXSOJSA-N 1 0 408.521 3.505 20 30 HHEDRO N#CCOc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000729685262 1071809093 /nfs/dbraw/zinc/80/90/93/1071809093.db2.gz AZJDVSHAEPHTQP-UHFFFAOYSA-N 1 0 403.276 3.803 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC3COC3)c(F)c2)no1 ZINC001211975841 1071829909 /nfs/dbraw/zinc/82/99/09/1071829909.db2.gz RFGIGMHIVVCDEF-APWZRJJASA-N 1 0 419.497 3.731 20 30 HHEDRO C[C@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001212065124 1071943190 /nfs/dbraw/zinc/94/31/90/1071943190.db2.gz YGADMHSWGSBVLN-KBXCAEBGSA-N 1 0 423.460 3.518 20 30 HHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1Br ZINC000487841202 1072102188 /nfs/dbraw/zinc/10/21/88/1072102188.db2.gz QZOZLWAIWUXFNJ-UHFFFAOYSA-N 1 0 414.307 3.502 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000536741063 1072192347 /nfs/dbraw/zinc/19/23/47/1072192347.db2.gz GOWSVEIKISSXRW-DEOSSOPVSA-N 1 0 424.976 3.809 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(C)cc1 ZINC000912836274 1072289507 /nfs/dbraw/zinc/28/95/07/1072289507.db2.gz INXFTYXHCUSJTH-UHFFFAOYSA-O 1 0 408.547 3.786 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=S)NCC1CC[NH+](C)CC1 ZINC000760479283 1072386992 /nfs/dbraw/zinc/38/69/92/1072386992.db2.gz WINSJUYMXRZSDS-UHFFFAOYSA-N 1 0 414.388 3.793 20 30 HHEDRO N#Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1Cl ZINC000586815452 1072434695 /nfs/dbraw/zinc/43/46/95/1072434695.db2.gz ZGYOYBRVPJTGJW-SFHVURJKSA-N 1 0 403.860 3.985 20 30 HHEDRO Cc1ccc([C@H](C)[N@H+](C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000539365316 1072695587 /nfs/dbraw/zinc/69/55/87/1072695587.db2.gz PICYDQLTPUGOEB-WMZHIEFXSA-N 1 0 408.521 3.536 20 30 HHEDRO COc1cc(OC)c2ncc(C#N)c(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)c2c1 ZINC000587987411 1072731160 /nfs/dbraw/zinc/73/11/60/1072731160.db2.gz LVEZLBGLSSYJBW-IBGZPJMESA-N 1 0 402.498 3.834 20 30 HHEDRO CC1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000588023044 1072760052 /nfs/dbraw/zinc/76/00/52/1072760052.db2.gz OHJMPAYYONTQJO-HXUWFJFHSA-N 1 0 414.981 3.951 20 30 HHEDRO CC[NH+]1CCN([C@@H](C)CNc2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479378388 1072786992 /nfs/dbraw/zinc/78/69/92/1072786992.db2.gz LHOUCIWLMJRNAO-HNNXBMFYSA-N 1 0 416.367 3.615 20 30 HHEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000555129178 1073180382 /nfs/dbraw/zinc/18/03/82/1073180382.db2.gz KRCRYDMNBFAXIE-IFMALSPDSA-N 1 0 418.532 3.763 20 30 HHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CCC(=O)Nc3sccc3C#N)CCN2C2CC2)c1 ZINC000555131395 1073183263 /nfs/dbraw/zinc/18/32/63/1073183263.db2.gz MVWQTDPMKGQRLP-TZIWHRDSSA-N 1 0 410.543 3.525 20 30 HHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000555249758 1073279679 /nfs/dbraw/zinc/27/96/79/1073279679.db2.gz ZTXWVSODBXVISP-PMACEKPBSA-N 1 0 403.615 3.768 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000555249751 1073279698 /nfs/dbraw/zinc/27/96/98/1073279698.db2.gz ZSIADNNPBZNABY-GOSISDBHSA-N 1 0 410.522 3.742 20 30 HHEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000555262571 1073295324 /nfs/dbraw/zinc/29/53/24/1073295324.db2.gz QYIWZEXMWNFMJU-SFTDATJTSA-N 1 0 419.614 3.527 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000555285965 1073308456 /nfs/dbraw/zinc/30/84/56/1073308456.db2.gz AKMSHQSTHDKHCI-GOSISDBHSA-N 1 0 404.436 3.655 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000555303430 1073321562 /nfs/dbraw/zinc/32/15/62/1073321562.db2.gz RTSYAMBMNCLNKX-UHFFFAOYSA-N 1 0 422.577 3.698 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCOCc2ccc(C#N)cc2)C1 ZINC000588879074 1073324881 /nfs/dbraw/zinc/32/48/81/1073324881.db2.gz JRIWINCUMMCQHE-LJQANCHMSA-N 1 0 400.567 3.617 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(Br)c1 ZINC000588985357 1073370777 /nfs/dbraw/zinc/37/07/77/1073370777.db2.gz PFACCOLJNQNUQJ-FQEVSTJZSA-N 1 0 403.295 3.887 20 30 HHEDRO N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000590186688 1073631986 /nfs/dbraw/zinc/63/19/86/1073631986.db2.gz OSHOFPFNGOUREL-MRXNPFEDSA-N 1 0 402.420 3.614 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000555657374 1073710518 /nfs/dbraw/zinc/71/05/18/1073710518.db2.gz IHTYPMBNSNQKEU-IAGOWNOFSA-N 1 0 410.587 3.712 20 30 HHEDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000590388830 1073808414 /nfs/dbraw/zinc/80/84/14/1073808414.db2.gz NWDUJERXPYCPJZ-SFHVURJKSA-N 1 0 405.498 3.676 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3c4ccccc4CC34CCOCC4)C2=O)cc1 ZINC000573023643 1074062245 /nfs/dbraw/zinc/06/22/45/1074062245.db2.gz YSODNEVTBDKEJQ-DHIUTWEWSA-N 1 0 401.510 3.737 20 30 HHEDRO N#CC1(NC(=O)CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCCCC1 ZINC000591334475 1074236857 /nfs/dbraw/zinc/23/68/57/1074236857.db2.gz PQUHPVGQZYDNBQ-UHFFFAOYSA-N 1 0 422.495 3.556 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000591497253 1074346534 /nfs/dbraw/zinc/34/65/34/1074346534.db2.gz BMBNDJNKNLFKIO-UHFFFAOYSA-N 1 0 406.530 3.731 20 30 HHEDRO N#Cc1ccc(C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000573409728 1074401082 /nfs/dbraw/zinc/40/10/82/1074401082.db2.gz QLXRQGFFXPZDQF-UHFFFAOYSA-N 1 0 406.427 3.628 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000592071245 1074687757 /nfs/dbraw/zinc/68/77/57/1074687757.db2.gz PMUOOWUGPSHFGY-UHFFFAOYSA-N 1 0 408.333 3.653 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000592075722 1074687862 /nfs/dbraw/zinc/68/78/62/1074687862.db2.gz BYXGMLQJQUZNMP-UHFFFAOYSA-N 1 0 400.954 3.842 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000592077157 1074688216 /nfs/dbraw/zinc/68/82/16/1074688216.db2.gz DJACGEZJZRWYFC-UHFFFAOYSA-N 1 0 415.541 3.764 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)CC1 ZINC000592524202 1074781112 /nfs/dbraw/zinc/78/11/12/1074781112.db2.gz YNJBADKXGNJOJB-UHFFFAOYSA-N 1 0 417.351 3.649 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c2)cc1 ZINC000574216085 1075177703 /nfs/dbraw/zinc/17/77/03/1075177703.db2.gz GTTAOXPHJYXUKW-RUZDIDTESA-N 1 0 413.477 3.926 20 30 HHEDRO C=CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213445 1075544588 /nfs/dbraw/zinc/54/45/88/1075544588.db2.gz OUUDBGDTFTUGSZ-QGZVFWFLSA-N 1 0 402.506 3.737 20 30 HHEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCCCC23CC[NH2+]CC3)nc1C(F)(F)F ZINC001164419900 718912210 /nfs/dbraw/zinc/91/22/10/718912210.db2.gz DCDOWGUZROFZFV-UHFFFAOYSA-N 1 0 409.790 3.678 20 30 HHEDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)c(C)c1Cl ZINC001164839038 720512414 /nfs/dbraw/zinc/51/24/14/720512414.db2.gz SADDLIOAHYBUBL-QWFCFKBJSA-N 1 0 412.969 3.798 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3C#C[Si](C)(C)C)CC[C@@H]21 ZINC001164842090 720569038 /nfs/dbraw/zinc/56/90/38/720569038.db2.gz WKVGFCUSNNZDQH-VABKMULXSA-N 1 0 421.665 3.885 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(C#N)cnc3cnc(Cl)cc31)[C@@H]2C ZINC001164855707 720935339 /nfs/dbraw/zinc/93/53/39/720935339.db2.gz JHJUAHUVFBDMRD-CQSZACIVSA-N 1 0 409.925 3.773 20 30 HHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900963 721515223 /nfs/dbraw/zinc/51/52/23/721515223.db2.gz VEQVWTPQOHTWLN-HOCLYGCPSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164905718 721582624 /nfs/dbraw/zinc/58/26/24/721582624.db2.gz VJIXMCOAPUGYQR-IBGZPJMESA-N 1 0 403.864 3.739 20 30 HHEDRO N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164906232 721709882 /nfs/dbraw/zinc/70/98/82/721709882.db2.gz LKGDRRAQHXXHHT-OAQYLSRUSA-N 1 0 408.456 3.567 20 30 HHEDRO N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C(F)(F)F)c1 ZINC000301345703 970878895 /nfs/dbraw/zinc/87/88/95/970878895.db2.gz GQTVRFBFNDPRFO-GOSISDBHSA-N 1 0 416.447 3.886 20 30 HHEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)c2c1 ZINC000301352938 970884254 /nfs/dbraw/zinc/88/42/54/970884254.db2.gz JNICUEFUUZAAGX-UHFFFAOYSA-N 1 0 419.573 3.542 20 30 HHEDRO N#Cc1ccccc1OCC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000537537343 1013051926 /nfs/dbraw/zinc/05/19/26/1013051926.db2.gz SGFNRWJOGQNLID-UHFFFAOYSA-N 1 0 420.431 3.905 20 30 HHEDRO Cc1cccc([C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)N2CCOCC2)c1 ZINC000301387896 970901366 /nfs/dbraw/zinc/90/13/66/970901366.db2.gz YAPUFNWQIFYCLR-JOCHJYFZSA-N 1 0 417.469 3.809 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000537539349 1013053746 /nfs/dbraw/zinc/05/37/46/1013053746.db2.gz FDOSXLIEVKJMDQ-OAQYLSRUSA-N 1 0 410.493 3.684 20 30 HHEDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n2c3ccccc3nc2c1C#N ZINC000301716958 971039416 /nfs/dbraw/zinc/03/94/16/971039416.db2.gz XYTPCLZSBQFMBY-FCHUYYIVSA-N 1 0 403.530 3.847 20 30 HHEDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000542122864 1013057614 /nfs/dbraw/zinc/05/76/14/1013057614.db2.gz HEUQQHLCXOZNLZ-INIZCTEOSA-N 1 0 405.502 3.865 20 30 HHEDRO C=CCNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000301882730 971097728 /nfs/dbraw/zinc/09/77/28/971097728.db2.gz NABZWDWCJJBXHL-YWZLYKJASA-N 1 0 402.901 3.895 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000302063637 971167190 /nfs/dbraw/zinc/16/71/90/971167190.db2.gz VASLCCWEEQNOBW-SFHVURJKSA-N 1 0 424.451 3.887 20 30 HHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000542154300 1013090114 /nfs/dbraw/zinc/09/01/14/1013090114.db2.gz NMOOMJKLAQOQJK-HNNXBMFYSA-N 1 0 421.607 3.889 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC(C[NH+]3CCCC3)CC2)c1C#N ZINC000303177410 971544204 /nfs/dbraw/zinc/54/42/04/971544204.db2.gz JTEYZFYTBOZFHU-UHFFFAOYSA-N 1 0 419.573 3.712 20 30 HHEDRO CSc1cccc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000303185021 971547904 /nfs/dbraw/zinc/54/79/04/971547904.db2.gz VGBINIYCFFNNMD-UHFFFAOYSA-N 1 0 412.559 3.670 20 30 HHEDRO COc1ccc(-c2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)c(F)c2)c(F)c1 ZINC000303313535 971622296 /nfs/dbraw/zinc/62/22/96/971622296.db2.gz PPXRFTRSSQMDEW-UHFFFAOYSA-N 1 0 401.457 3.948 20 30 HHEDRO CCOCCC[NH+]=C(NCc1ccc(OC)cc1)NCc1cccc2cccnc21 ZINC000303368323 971663633 /nfs/dbraw/zinc/66/36/33/971663633.db2.gz IUAJFIHHXGUTSR-UHFFFAOYSA-N 1 0 406.530 3.905 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000303378477 971670283 /nfs/dbraw/zinc/67/02/83/971670283.db2.gz PUCKHRZYKAISBP-OAQYLSRUSA-N 1 0 400.954 3.633 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000303400840 971683234 /nfs/dbraw/zinc/68/32/34/971683234.db2.gz OVNQWKCJSHRLOC-UHFFFAOYSA-N 1 0 408.502 3.579 20 30 HHEDRO C[NH+](C)C1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCOCC1 ZINC000303564312 971858682 /nfs/dbraw/zinc/85/86/82/971858682.db2.gz NYVQLEULYDRGID-UHFFFAOYSA-N 1 0 409.555 3.691 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C(=O)N3CCCCC3)cc2)cc1Cl ZINC000303776142 972021333 /nfs/dbraw/zinc/02/13/33/972021333.db2.gz HNVSGFLQHSTZCN-UHFFFAOYSA-N 1 0 400.910 3.902 20 30 HHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2CS(=O)(=O)NC(C)C)cc1 ZINC000303781356 972023939 /nfs/dbraw/zinc/02/39/39/972023939.db2.gz MBOOFKFTLZLOMJ-KRWDZBQOSA-N 1 0 416.591 3.955 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303788954 972028466 /nfs/dbraw/zinc/02/84/66/972028466.db2.gz JPVGPWSHBNHPFZ-LPHOPBHVSA-N 1 0 417.962 3.885 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000303800215 972037167 /nfs/dbraw/zinc/03/71/67/972037167.db2.gz JMMHWAAJNJCXNO-JOCHJYFZSA-N 1 0 408.933 3.525 20 30 HHEDRO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000542186582 1013128441 /nfs/dbraw/zinc/12/84/41/1013128441.db2.gz YAIALQSUILYUSM-HNNXBMFYSA-N 1 0 418.415 3.850 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000542224009 1013178211 /nfs/dbraw/zinc/17/82/11/1013178211.db2.gz JGDZQBLDQMWHKL-UHFFFAOYSA-N 1 0 412.921 3.599 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000303865962 972407696 /nfs/dbraw/zinc/40/76/96/972407696.db2.gz BZFWUNTXRVZJDX-UHFFFAOYSA-N 1 0 400.548 3.521 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000303865710 972407740 /nfs/dbraw/zinc/40/77/40/972407740.db2.gz QAABELRPRWVYNI-UHFFFAOYSA-N 1 0 417.962 3.711 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000303874231 972415094 /nfs/dbraw/zinc/41/50/94/972415094.db2.gz HAZPJUIZRPKJDO-AWEZNQCLSA-N 1 0 403.324 3.711 20 30 HHEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000303882591 972422764 /nfs/dbraw/zinc/42/27/64/972422764.db2.gz LPFZXUIMBDVWRK-FHWLQOOXSA-N 1 0 402.583 3.555 20 30 HHEDRO COc1cc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1OCCO ZINC000303885672 972425724 /nfs/dbraw/zinc/42/57/24/972425724.db2.gz JXOMPLDZFFKPDX-LBPRGKRZSA-N 1 0 412.317 3.539 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000303884692 972425917 /nfs/dbraw/zinc/42/59/17/972425917.db2.gz MVDSYVWTLXPZNO-AWEZNQCLSA-N 1 0 403.324 3.711 20 30 HHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000303893225 972432780 /nfs/dbraw/zinc/43/27/80/972432780.db2.gz RUNXZCYEKWRKJE-LJQANCHMSA-N 1 0 410.562 3.838 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccnc(OCC(F)(F)F)c2)c1 ZINC000303910122 972481675 /nfs/dbraw/zinc/48/16/75/972481675.db2.gz YPUOENDSWXDQBY-UHFFFAOYSA-N 1 0 412.412 3.747 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000542269340 1013230579 /nfs/dbraw/zinc/23/05/79/1013230579.db2.gz IROJLWSBKLFNQT-MRXNPFEDSA-N 1 0 400.592 3.776 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)c1 ZINC000542281206 1013242539 /nfs/dbraw/zinc/24/25/39/1013242539.db2.gz ZNNVPBISZBJMFW-QGZVFWFLSA-N 1 0 420.431 3.860 20 30 HHEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553290005 1013246545 /nfs/dbraw/zinc/24/65/45/1013246545.db2.gz XTFMPTKIGYMLFG-IBGZPJMESA-N 1 0 402.970 3.809 20 30 HHEDRO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000008147629 961450040 /nfs/dbraw/zinc/45/00/40/961450040.db2.gz HJUNCADDVMXFKN-UHFFFAOYSA-N 1 0 410.522 3.581 20 30 HHEDRO CC[NH+](CC)CCn1c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)nc2ccccc21 ZINC000010653069 961875090 /nfs/dbraw/zinc/87/50/90/961875090.db2.gz ZVYHTWMRWCNYJG-QGZVFWFLSA-N 1 0 405.502 3.656 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000542423406 1013376035 /nfs/dbraw/zinc/37/60/35/1013376035.db2.gz ZFVSLCBXKOMUTP-QUCCMNQESA-N 1 0 414.550 3.702 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000553537802 1013434587 /nfs/dbraw/zinc/43/45/87/1013434587.db2.gz SJGUKRPSIXOMBE-ZTCOLXNVSA-N 1 0 419.569 3.979 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2c(C)[nH]c(C(=O)OCC)c2C)C(=S)NCC)cc1 ZINC000022687153 963697142 /nfs/dbraw/zinc/69/71/42/963697142.db2.gz YNSLWOMVTIJGOY-UHFFFAOYSA-O 1 0 416.567 3.597 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691539 963698882 /nfs/dbraw/zinc/69/88/82/963698882.db2.gz MFSLMYLGMCAQMR-MRXNPFEDSA-O 1 0 405.490 3.522 20 30 HHEDRO CN(C)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccccc2)cc1 ZINC000022735078 963705855 /nfs/dbraw/zinc/70/58/55/963705855.db2.gz RQURIAHNUWDQAE-UHFFFAOYSA-O 1 0 404.559 3.811 20 30 HHEDRO CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734675 963706151 /nfs/dbraw/zinc/70/61/51/963706151.db2.gz USAOLMRCUXTNSC-UHFFFAOYSA-O 1 0 420.514 3.940 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000024445307 964001265 /nfs/dbraw/zinc/00/12/65/964001265.db2.gz XPRPZTCUJRKCAI-UHFFFAOYSA-N 1 0 405.523 3.765 20 30 HHEDRO CC(C)([C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542518482 1013462488 /nfs/dbraw/zinc/46/24/88/1013462488.db2.gz RZCNOBNXXAVDRN-OAQYLSRUSA-N 1 0 418.532 3.813 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000542531731 1013475260 /nfs/dbraw/zinc/47/52/60/1013475260.db2.gz KTHZKXWAAPDUAA-UXHICEINSA-N 1 0 412.578 3.575 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000025934158 964395672 /nfs/dbraw/zinc/39/56/72/964395672.db2.gz UIUVMTZKJGFWIZ-UHFFFAOYSA-N 1 0 421.932 3.620 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000051852228 964721394 /nfs/dbraw/zinc/72/13/94/964721394.db2.gz MXWAVKOLKLWKFU-UHFFFAOYSA-N 1 0 400.885 3.892 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953249 965007564 /nfs/dbraw/zinc/00/75/64/965007564.db2.gz RZPXJMXLXGPBTP-NCMKUFGYSA-N 1 0 410.562 3.656 20 30 HHEDRO Cc1ccc([C@@H](NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000028155094 965047716 /nfs/dbraw/zinc/04/77/16/965047716.db2.gz XTBQRGJHKDGNAA-AREMUKBSSA-N 1 0 416.569 3.642 20 30 HHEDRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@@H](O)COc4ccc(C#N)cc4)CC3)c2c1 ZINC000053073596 965054971 /nfs/dbraw/zinc/05/49/71/965054971.db2.gz JKZVRVFEYRXUSO-LJQANCHMSA-N 1 0 403.482 3.577 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](CCc3ccccc3)CC2)ccc1Cl ZINC000029157067 965286660 /nfs/dbraw/zinc/28/66/60/965286660.db2.gz JFUBPPJFIRNRMX-UHFFFAOYSA-N 1 0 424.976 3.755 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057171690 965324480 /nfs/dbraw/zinc/32/44/80/965324480.db2.gz GTKXERFMJOFNCQ-QHCPKHFHSA-N 1 0 402.542 3.509 20 30 HHEDRO N#Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000029364236 965359138 /nfs/dbraw/zinc/35/91/38/965359138.db2.gz IKXUROJHFGLGRW-UHFFFAOYSA-N 1 0 410.521 3.810 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000553733103 1013578230 /nfs/dbraw/zinc/57/82/30/1013578230.db2.gz GMLWOMDOEBOGTR-HSZRJFAPSA-N 1 0 405.542 3.660 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054720116 965620855 /nfs/dbraw/zinc/62/08/55/965620855.db2.gz RNNXYOFSYGTSJX-OFNKIYASSA-N 1 0 417.557 3.615 20 30 HHEDRO COc1ccc(C([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000030536352 965721201 /nfs/dbraw/zinc/72/12/01/965721201.db2.gz SNANQBSGADWTMF-NRFANRHFSA-N 1 0 418.493 3.694 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1Br ZINC000030537455 965722292 /nfs/dbraw/zinc/72/22/92/965722292.db2.gz JQYKVLJUWYABQC-PBHICJAKSA-N 1 0 419.319 3.614 20 30 HHEDRO CN(C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000055171770 965774002 /nfs/dbraw/zinc/77/40/02/965774002.db2.gz MXCOEKBXNATTED-RUZDIDTESA-N 1 0 416.569 3.602 20 30 HHEDRO CCN(CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469364 966159430 /nfs/dbraw/zinc/15/94/30/966159430.db2.gz OHSDWRIGGZOZMB-JOCHJYFZSA-N 1 0 418.585 3.984 20 30 HHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000060688992 966259983 /nfs/dbraw/zinc/25/99/83/966259983.db2.gz OPBULLINOCVXFD-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000036684936 966439706 /nfs/dbraw/zinc/43/97/06/966439706.db2.gz JDTQUFLLZSZEAF-JPYJTQIMSA-N 1 0 407.514 3.678 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(OC)c1 ZINC000036841712 966464196 /nfs/dbraw/zinc/46/41/96/966464196.db2.gz IBWNSRDHQIZHIC-UHFFFAOYSA-N 1 0 409.530 3.501 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000553846625 1013654350 /nfs/dbraw/zinc/65/43/50/1013654350.db2.gz JSKZYFRCRCILQE-NRFANRHFSA-N 1 0 410.562 3.587 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1 ZINC000062368159 966650263 /nfs/dbraw/zinc/65/02/63/966650263.db2.gz ITGRVZPNUCVMJU-UHFFFAOYSA-N 1 0 401.308 3.916 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2CC)C(=S)NCC)cc1 ZINC000063440129 966857932 /nfs/dbraw/zinc/85/79/32/966857932.db2.gz IOBCXPHKAQRNMN-UHFFFAOYSA-O 1 0 400.568 3.876 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000063482352 966873322 /nfs/dbraw/zinc/87/33/22/966873322.db2.gz GCQWOEPFEMPGHF-UHFFFAOYSA-N 1 0 418.419 3.655 20 30 HHEDRO CC(C)[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(C#N)cc1 ZINC000063750714 966946738 /nfs/dbraw/zinc/94/67/38/966946738.db2.gz ORTFONRWZFXZAF-UHFFFAOYSA-N 1 0 408.521 3.647 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063789266 966958629 /nfs/dbraw/zinc/95/86/29/966958629.db2.gz JPWVFCWEWSGOPL-CVDCTZTESA-N 1 0 406.530 3.552 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000538129923 1013691237 /nfs/dbraw/zinc/69/12/37/1013691237.db2.gz WTHKVCHIRMZWPB-SJORKVTESA-N 1 0 408.502 3.640 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3nncn3C3CC3)C1)CCCC2 ZINC000538138352 1013699252 /nfs/dbraw/zinc/69/92/52/1013699252.db2.gz SFTWOEAGLQKSED-HNNXBMFYSA-N 1 0 424.574 3.633 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045029815 967336345 /nfs/dbraw/zinc/33/63/45/967336345.db2.gz MPYVXGAVDPOUQQ-UHFFFAOYSA-N 1 0 408.571 3.755 20 30 HHEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000065281767 967427369 /nfs/dbraw/zinc/42/73/69/967427369.db2.gz UHRVUMUVENFTRZ-UHFFFAOYSA-N 1 0 423.557 3.896 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000538168891 1013729128 /nfs/dbraw/zinc/72/91/28/1013729128.db2.gz WCYKYFZBZNDPEU-HNNXBMFYSA-N 1 0 420.469 3.636 20 30 HHEDRO CC(C)Oc1ccc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000045894709 967588813 /nfs/dbraw/zinc/58/88/13/967588813.db2.gz MPBNGLKWBLBSTK-UHFFFAOYSA-N 1 0 408.546 3.661 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(C)C ZINC000046049224 967647801 /nfs/dbraw/zinc/64/78/01/967647801.db2.gz RUAMFYMITKDPFE-RBBKRZOGSA-N 1 0 412.578 3.745 20 30 HHEDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 ZINC000542913578 1013753792 /nfs/dbraw/zinc/75/37/92/1013753792.db2.gz NRQFRCNRIGEIHZ-QHCPKHFHSA-N 1 0 416.525 3.790 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)C(C)C ZINC000046905580 968005009 /nfs/dbraw/zinc/00/50/09/968005009.db2.gz UFECNODMUKRVKF-JOCHJYFZSA-N 1 0 413.562 3.695 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000047186831 968081061 /nfs/dbraw/zinc/08/10/61/968081061.db2.gz NHPFXVQVPGUOFW-SFHVURJKSA-N 1 0 407.514 3.636 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000538224116 1013773733 /nfs/dbraw/zinc/77/37/33/1013773733.db2.gz LPMPIQRCXGVCEH-OAHLLOKOSA-N 1 0 402.491 3.611 20 30 HHEDRO C=CCC[C@H]([NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000538233296 1013781453 /nfs/dbraw/zinc/78/14/53/1013781453.db2.gz PVBNGZFSGRMTQW-FVCZOJIISA-N 1 0 400.485 3.772 20 30 HHEDRO C=CCC[C@H]([NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000538233299 1013781803 /nfs/dbraw/zinc/78/18/03/1013781803.db2.gz PVBNGZFSGRMTQW-JSJNYSNDSA-N 1 0 400.485 3.772 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2)c(Cl)c1 ZINC000542955829 1013786203 /nfs/dbraw/zinc/78/62/03/1013786203.db2.gz GHKPGSKDAHXDFQ-GOSISDBHSA-N 1 0 420.904 3.793 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000542956782 1013787527 /nfs/dbraw/zinc/78/75/27/1013787527.db2.gz FIXLZPJWVXQIQA-UHFFFAOYSA-N 1 0 400.914 3.641 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)Cc1ccccc1 ZINC000048184219 968474234 /nfs/dbraw/zinc/47/42/34/968474234.db2.gz OPLNULAQDWYSNY-FQEVSTJZSA-N 1 0 403.482 3.633 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000065930522 968720419 /nfs/dbraw/zinc/72/04/19/968720419.db2.gz BHHUOIYZBADIBL-UHFFFAOYSA-N 1 0 418.566 3.738 20 30 HHEDRO CC(C)Oc1ncc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000065930292 968720527 /nfs/dbraw/zinc/72/05/27/968720527.db2.gz GHBRSQBVXLDZJD-UHFFFAOYSA-N 1 0 400.910 3.598 20 30 HHEDRO Cc1oc(-c2cccs2)nc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930673 968720654 /nfs/dbraw/zinc/72/06/54/968720654.db2.gz JTASGTSXLQPBTN-UHFFFAOYSA-N 1 0 408.527 3.716 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000065930496 968720740 /nfs/dbraw/zinc/72/07/40/968720740.db2.gz QNEYQBPZSKGCIU-UHFFFAOYSA-N 1 0 417.513 3.521 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000065938955 968729524 /nfs/dbraw/zinc/72/95/24/968729524.db2.gz SAFPQAWUNMGUOJ-MRXNPFEDSA-N 1 0 419.447 3.935 20 30 HHEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cccc(OC)c1 ZINC000071972296 968917611 /nfs/dbraw/zinc/91/76/11/968917611.db2.gz RKZZSIKBJFQJMX-HXUWFJFHSA-N 1 0 421.950 3.582 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(OC)c1 ZINC000072005776 968927621 /nfs/dbraw/zinc/92/76/21/968927621.db2.gz ZEUGBRQXJWNKFU-UHFFFAOYSA-N 1 0 400.563 3.917 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+](Cc3cccc(OC)c3)CC2)c(OC)c1 ZINC000072005152 968927726 /nfs/dbraw/zinc/92/77/26/968927726.db2.gz AOBMXGOVWQTAEF-UHFFFAOYSA-N 1 0 424.541 3.592 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000097428606 969137039 /nfs/dbraw/zinc/13/70/39/969137039.db2.gz IQMJWJUEBVBELV-HSZRJFAPSA-N 1 0 417.557 3.617 20 30 HHEDRO CCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000097491138 969145418 /nfs/dbraw/zinc/14/54/18/969145418.db2.gz KBPCIPIJJXCULX-UHFFFAOYSA-N 1 0 413.443 3.957 20 30 HHEDRO Cc1cccc(C)c1NC(=O)[C@@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000097571493 969166019 /nfs/dbraw/zinc/16/60/19/969166019.db2.gz AUFPGBMPVDLAPH-LJQANCHMSA-N 1 0 408.546 3.953 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000554253853 1013877551 /nfs/dbraw/zinc/87/75/51/1013877551.db2.gz RXELMABOVUEUKB-NRFANRHFSA-N 1 0 404.514 3.692 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109307122 969495561 /nfs/dbraw/zinc/49/55/61/969495561.db2.gz YHYJRDXROXRJLT-XUZZJYLKSA-N 1 0 405.542 3.990 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(OC)c1 ZINC000109484983 969523768 /nfs/dbraw/zinc/52/37/68/969523768.db2.gz SJHMFJBLIQALBN-UHFFFAOYSA-N 1 0 412.555 3.990 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000109805561 969568971 /nfs/dbraw/zinc/56/89/71/969568971.db2.gz SGPBQUBLQIBBBS-GOSISDBHSA-N 1 0 414.550 3.558 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110285020 969647829 /nfs/dbraw/zinc/64/78/29/969647829.db2.gz ZQCVFBFSYOICIC-UHFFFAOYSA-N 1 0 418.541 3.904 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040246 969765084 /nfs/dbraw/zinc/76/50/84/969765084.db2.gz VFEZUPSHUQJNFG-QGZVFWFLSA-N 1 0 411.525 3.811 20 30 HHEDRO NC(=NOCC(=O)Nc1ccc(F)cc1Cl)c1cccc(C[NH+]2CCCCC2)c1 ZINC000116600140 969908389 /nfs/dbraw/zinc/90/83/89/969908389.db2.gz OQTMXXGLSXSREM-UHFFFAOYSA-N 1 0 418.900 3.741 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000195632995 969920512 /nfs/dbraw/zinc/92/05/12/969920512.db2.gz ZGNKIQYDMDIJDQ-UHFFFAOYSA-N 1 0 415.459 3.974 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2c(n1)onc2C(C)C ZINC000195692182 969961038 /nfs/dbraw/zinc/96/10/38/969961038.db2.gz FDCSGXKSAWHCMJ-UHFFFAOYSA-N 1 0 405.502 3.730 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](O)COc3ccc(F)cc3)c2)c1 ZINC000140524207 970079949 /nfs/dbraw/zinc/07/99/49/970079949.db2.gz KJALNULJYHCTSF-JOCHJYFZSA-N 1 0 406.457 3.806 20 30 HHEDRO N#Cc1ccc(OCC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000236599124 970145245 /nfs/dbraw/zinc/14/52/45/970145245.db2.gz KRCSHRDYZDBZQE-UHFFFAOYSA-N 1 0 403.276 3.651 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c1 ZINC000236631329 970148798 /nfs/dbraw/zinc/14/87/98/970148798.db2.gz GCLWGZNRUWVTPE-UHFFFAOYSA-N 1 0 416.319 3.651 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237009385 970207146 /nfs/dbraw/zinc/20/71/46/970207146.db2.gz FEQAZJHTUROZCJ-ZWKOTPCHSA-N 1 0 415.559 3.859 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1OCCCC#N ZINC000237332369 970265123 /nfs/dbraw/zinc/26/51/23/970265123.db2.gz ULJJIZQJFGVHEH-GOSISDBHSA-N 1 0 413.905 3.926 20 30 HHEDRO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000237380462 970274295 /nfs/dbraw/zinc/27/42/95/970274295.db2.gz UQYHSEIUIHIRNL-LJQANCHMSA-N 1 0 405.477 3.855 20 30 HHEDRO Cc1nc(COc2ccc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)cc2)no1 ZINC000237671759 970334853 /nfs/dbraw/zinc/33/48/53/970334853.db2.gz CERJRTFYBGVAAV-IBGZPJMESA-N 1 0 421.476 3.726 20 30 HHEDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000237774180 970363677 /nfs/dbraw/zinc/36/36/77/970363677.db2.gz RTCLZARPXDBQGL-HSZRJFAPSA-N 1 0 402.494 3.975 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccnc2N2CCOCC2)c1 ZINC000237838604 970378670 /nfs/dbraw/zinc/37/86/70/970378670.db2.gz MBSWEKIOKGCEDJ-UHFFFAOYSA-N 1 0 414.509 3.659 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000237865687 970384291 /nfs/dbraw/zinc/38/42/91/970384291.db2.gz DRXNAJOKKYOERC-UHFFFAOYSA-N 1 0 407.905 3.637 20 30 HHEDRO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1Cl ZINC000554605810 1013987692 /nfs/dbraw/zinc/98/76/92/1013987692.db2.gz DVGZXYOIUNXFJX-NRFANRHFSA-N 1 0 423.944 3.870 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000150333737 970443139 /nfs/dbraw/zinc/44/31/39/970443139.db2.gz OYRLBYWDKGYQKX-PXNSSMCTSA-N 1 0 407.562 3.931 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ncnc4ccc(Br)cc43)CC2)cc1 ZINC000261374439 970631998 /nfs/dbraw/zinc/63/19/98/970631998.db2.gz XZMGPIKAXDXTIJ-UHFFFAOYSA-N 1 0 422.330 3.976 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1 ZINC000303970610 972558250 /nfs/dbraw/zinc/55/82/50/972558250.db2.gz CSQGEKCRUMDMHK-FQEVSTJZSA-N 1 0 416.953 3.927 20 30 HHEDRO CC(=O)Nc1cccc(OCCNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303973143 972560377 /nfs/dbraw/zinc/56/03/77/972560377.db2.gz GRROPJOHIXCPST-LBPRGKRZSA-N 1 0 409.317 3.996 20 30 HHEDRO CC1CCN(c2ccc(CNC(=[NH2+])NCc3ccc(OC(F)(F)F)cc3)cn2)CC1 ZINC000304463707 972599618 /nfs/dbraw/zinc/59/96/18/972599618.db2.gz AGVBEACZTNIOAX-UHFFFAOYSA-N 1 0 421.467 3.821 20 30 HHEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304512712 972602671 /nfs/dbraw/zinc/60/26/71/972602671.db2.gz XPZSWUNFSGEPQO-UHFFFAOYSA-N 1 0 417.435 3.992 20 30 HHEDRO C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1ccccc1Br ZINC000304675932 972602859 /nfs/dbraw/zinc/60/28/59/972602859.db2.gz CZNUBWUIGJYQFD-CYBMUJFWSA-N 1 0 420.307 3.805 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl ZINC000304751943 972604153 /nfs/dbraw/zinc/60/41/53/972604153.db2.gz JTCHXXPKIMLFNG-SECBINFHSA-N 1 0 421.254 3.880 20 30 HHEDRO CC(C)[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)NC(=O)OC(C)(C)C ZINC000304762286 972605719 /nfs/dbraw/zinc/60/57/19/972605719.db2.gz VMCHKVRFCRLWOQ-CQSZACIVSA-N 1 0 404.433 3.861 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2csc(CCc3ccccc3)n2)cc1OC ZINC000304813366 972606747 /nfs/dbraw/zinc/60/67/47/972606747.db2.gz PJXLVLZFDHJGKM-UHFFFAOYSA-N 1 0 410.543 3.550 20 30 HHEDRO [NH2+]=C(NCCc1nc(C(F)(F)F)cs1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304771941 972606864 /nfs/dbraw/zinc/60/68/64/972606864.db2.gz AKGLHORFIDQVPS-UHFFFAOYSA-N 1 0 412.359 3.708 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000304805161 972607020 /nfs/dbraw/zinc/60/70/20/972607020.db2.gz QXACUGFITRIXDA-AWEZNQCLSA-N 1 0 414.472 3.724 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCOc2ncc(Cl)cc2Cl)c1 ZINC000305093842 972609707 /nfs/dbraw/zinc/60/97/07/972609707.db2.gz YKSWLEZRKWIPQR-UHFFFAOYSA-N 1 0 413.305 3.991 20 30 HHEDRO CC[C@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000305225055 972611474 /nfs/dbraw/zinc/61/14/74/972611474.db2.gz YFOBAUIGZMPMPY-CYBMUJFWSA-N 1 0 415.437 3.564 20 30 HHEDRO C#CC[N@@H+](C)CCCNCc1cc(Br)cc(Br)c1OCC ZINC000392769938 972857308 /nfs/dbraw/zinc/85/73/08/972857308.db2.gz QUYLIDATNYYUQF-UHFFFAOYSA-N 1 0 418.173 3.655 20 30 HHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000394231017 972863669 /nfs/dbraw/zinc/86/36/69/972863669.db2.gz ZCYSULFBGYJTJE-UHFFFAOYSA-N 1 0 423.351 3.950 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000409518921 972973751 /nfs/dbraw/zinc/97/37/51/972973751.db2.gz FDERINCBYGXACB-MSOLQXFVSA-N 1 0 410.331 3.913 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCOc4c(Br)cccc43)C2=O)cc1 ZINC000409841661 973310780 /nfs/dbraw/zinc/31/07/80/973310780.db2.gz BBUVQZLPTXKWQZ-QZTJIDSGSA-N 1 0 412.287 3.539 20 30 HHEDRO COc1ccc2ccccc2c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000410204518 973700531 /nfs/dbraw/zinc/70/05/31/973700531.db2.gz PHHKGATUVLZMMB-UHFFFAOYSA-N 1 0 416.525 3.993 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000426068380 974191864 /nfs/dbraw/zinc/19/18/64/974191864.db2.gz BLLJDRNHDZYHEM-FCHUYYIVSA-N 1 0 420.513 3.850 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1-c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000426413712 974437835 /nfs/dbraw/zinc/43/78/35/974437835.db2.gz XZALKOJTJFYDAB-UHFFFAOYSA-N 1 0 416.510 3.945 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNc1cccc(C#N)c1 ZINC000426432610 974445983 /nfs/dbraw/zinc/44/59/83/974445983.db2.gz YDRWKEYFNHYZAJ-UHFFFAOYSA-N 1 0 404.436 3.579 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000426536640 974514007 /nfs/dbraw/zinc/51/40/07/974514007.db2.gz BVSMOKJVHYTBQR-ZWKOTPCHSA-N 1 0 411.999 3.867 20 30 HHEDRO C=CCOc1ccc(C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000427298527 975034615 /nfs/dbraw/zinc/03/46/15/975034615.db2.gz DCKDURKEOQTMGH-KDURUIRLSA-N 1 0 416.562 3.612 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000427310046 975042830 /nfs/dbraw/zinc/04/28/30/975042830.db2.gz XFGZCLBPNHXOFA-RTBURBONSA-N 1 0 415.603 3.529 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000427508251 975152338 /nfs/dbraw/zinc/15/23/38/975152338.db2.gz ZJRWJEKQZRCTJK-RUZDIDTESA-N 1 0 421.541 3.751 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c(Cl)c1 ZINC000427642396 975221291 /nfs/dbraw/zinc/22/12/91/975221291.db2.gz PNGNKAPIDIVZAK-UHFFFAOYSA-N 1 0 424.913 3.970 20 30 HHEDRO N#Cc1cnc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000428029838 975396340 /nfs/dbraw/zinc/39/63/40/975396340.db2.gz GPPZUJKOBSURTJ-UHFFFAOYSA-N 1 0 419.312 3.533 20 30 HHEDRO C[C@@]1(CNC(=O)CCCC(=O)Nc2ccccc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000428333506 975642818 /nfs/dbraw/zinc/64/28/18/975642818.db2.gz KLSMAMOKHWQTQM-VWLOTQADSA-N 1 0 418.541 3.838 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1Cl ZINC000428409512 975729678 /nfs/dbraw/zinc/72/96/78/975729678.db2.gz WBUCRPDVMDWZSW-UHFFFAOYSA-N 1 0 412.921 3.926 20 30 HHEDRO N#CCCn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1-c1ccccc1 ZINC000428707855 975999468 /nfs/dbraw/zinc/99/94/68/975999468.db2.gz IKTLKSKIIPLJBF-JOCHJYFZSA-N 1 0 413.525 3.858 20 30 HHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)C1 ZINC000428990207 976271420 /nfs/dbraw/zinc/27/14/20/976271420.db2.gz HNRJWOSYGRKPQY-UWVAXJGDSA-N 1 0 414.619 3.879 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429005390 976286015 /nfs/dbraw/zinc/28/60/15/976286015.db2.gz GFPDXZVVWTVNEH-XMMPIXPASA-N 1 0 407.558 3.718 20 30 HHEDRO COCCS(=O)(=O)c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000429430504 976708911 /nfs/dbraw/zinc/70/89/11/976708911.db2.gz RSMQQEMQQXKPKP-UHFFFAOYSA-N 1 0 412.555 3.600 20 30 HHEDRO C[NH+](C)[C@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000429529117 976789723 /nfs/dbraw/zinc/78/97/23/976789723.db2.gz OKTHJMKKWPQLKO-IBGZPJMESA-N 1 0 419.573 3.582 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1cccc(F)c1 ZINC000429734471 977025018 /nfs/dbraw/zinc/02/50/18/977025018.db2.gz IMLWTHUBXCVYBQ-OAQYLSRUSA-N 1 0 405.477 3.636 20 30 HHEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CCCC1 ZINC000429811198 977085442 /nfs/dbraw/zinc/08/54/42/977085442.db2.gz NWMBLVWVEUFGNY-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO C=CCn1c(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1-c1ccncc1 ZINC000430097763 977318022 /nfs/dbraw/zinc/31/80/22/977318022.db2.gz BZYQYVOJFUMMGG-NRFANRHFSA-N 1 0 421.570 3.909 20 30 HHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000430107228 977321812 /nfs/dbraw/zinc/32/18/12/977321812.db2.gz RMPKVUWCQMXCHV-DEOSSOPVSA-N 1 0 408.498 3.694 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292801 977453448 /nfs/dbraw/zinc/45/34/48/977453448.db2.gz JUQPDXXPGXULTE-MOPGFXCFSA-N 1 0 411.571 3.636 20 30 HHEDRO Cc1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)n(C2CC[NH+](C)CC2)n1 ZINC000430482900 977588518 /nfs/dbraw/zinc/58/85/18/977588518.db2.gz JWSLCUHSMJICTJ-UHFFFAOYSA-N 1 0 419.485 3.754 20 30 HHEDRO Cc1noc(C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2)n1 ZINC000431176989 978076408 /nfs/dbraw/zinc/07/64/08/978076408.db2.gz FZPKUDPILFUULF-UTKZUKDTSA-N 1 0 403.486 3.587 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431265064 978150908 /nfs/dbraw/zinc/15/09/08/978150908.db2.gz GNMUHVSNUHUCBG-GOTSBHOMSA-N 1 0 403.526 3.713 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)c2cccc(SCC#N)c2)CCOCC1)c1ccccc1 ZINC000431325356 978211265 /nfs/dbraw/zinc/21/12/65/978211265.db2.gz FYISNTGQCXGJSS-SFHVURJKSA-N 1 0 409.555 3.932 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](Oc4ccncc4)C3)sc2C1 ZINC000431610382 978382688 /nfs/dbraw/zinc/38/26/88/978382688.db2.gz PXSRRPKXSLUTLK-RDJZCZTQSA-N 1 0 410.543 3.621 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000431801602 978524123 /nfs/dbraw/zinc/52/41/23/978524123.db2.gz PHMMGWCPMOFJOZ-UHFFFAOYSA-N 1 0 419.447 3.632 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000432489913 978844686 /nfs/dbraw/zinc/84/46/86/978844686.db2.gz NEIILZWJRZQQQR-NRFANRHFSA-N 1 0 421.497 3.941 20 30 HHEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1OC ZINC000432499705 978851319 /nfs/dbraw/zinc/85/13/19/978851319.db2.gz ILNZSFSOTAAALU-UHFFFAOYSA-N 1 0 402.882 3.588 20 30 HHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000432546806 978878332 /nfs/dbraw/zinc/87/83/32/978878332.db2.gz PPZUMLLNTNXYMY-HXUWFJFHSA-N 1 0 410.562 3.638 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432563688 978888937 /nfs/dbraw/zinc/88/89/37/978888937.db2.gz VJCIEKOMTRVTPG-IBGZPJMESA-N 1 0 407.514 3.890 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[NH2+][C@@H]1CC3CCC1CC3)CCCC2 ZINC000433004568 979039072 /nfs/dbraw/zinc/03/90/72/979039072.db2.gz FVLHRJIPLFQXAM-JWYNLTDQSA-N 1 0 410.562 3.524 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000433039854 979049423 /nfs/dbraw/zinc/04/94/23/979049423.db2.gz NZTIQDVWHOSALK-HSZRJFAPSA-N 1 0 408.521 3.889 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000433108221 979076630 /nfs/dbraw/zinc/07/66/30/979076630.db2.gz ZQIILAZRXBSTKI-UHFFFAOYSA-N 1 0 418.463 3.847 20 30 HHEDRO COc1ccccc1-c1noc(C2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000433177696 979121169 /nfs/dbraw/zinc/12/11/69/979121169.db2.gz VKAVXIXCMNQIEA-UHFFFAOYSA-N 1 0 404.470 3.875 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H](C#N)CCc3ccccc3)CC2)c1 ZINC000433229737 979163501 /nfs/dbraw/zinc/16/35/01/979163501.db2.gz ZVSLSKVFKANTFX-XMMPIXPASA-N 1 0 418.585 3.786 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)c(-c2ccncc2)n1 ZINC000433304716 979226300 /nfs/dbraw/zinc/22/63/00/979226300.db2.gz OBEXIRUVAQFCLA-UHFFFAOYSA-N 1 0 415.545 3.924 20 30 HHEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433321632 979235501 /nfs/dbraw/zinc/23/55/01/979235501.db2.gz YOHOTEHMPAOMPM-AUSIDOKSSA-N 1 0 400.530 3.784 20 30 HHEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC(F)F ZINC000433335446 979244609 /nfs/dbraw/zinc/24/46/09/979244609.db2.gz LTMJEPZUSOVQOG-UHFFFAOYSA-N 1 0 413.428 3.759 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)c(-c2ccncc2)n1 ZINC000433340877 979249219 /nfs/dbraw/zinc/24/92/19/979249219.db2.gz QTCTXPVJVGWLIR-UHFFFAOYSA-N 1 0 401.518 3.534 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000433386962 979268795 /nfs/dbraw/zinc/26/87/95/979268795.db2.gz FOSQDGSNSGLLTI-LJQANCHMSA-N 1 0 406.530 3.525 20 30 HHEDRO CN(c1ccc(OCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000433394418 979273446 /nfs/dbraw/zinc/27/34/46/979273446.db2.gz LVKKNTVEKGLOBH-UHFFFAOYSA-N 1 0 419.934 3.511 20 30 HHEDRO CC[N@H+](CCNC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)CCC(F)(F)F ZINC000433621715 979432035 /nfs/dbraw/zinc/43/20/35/979432035.db2.gz LOYMXGAOXUIOHU-ZDUSSCGKSA-N 1 0 403.342 3.845 20 30 HHEDRO Cn1cc(-c2cc(F)ccc2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000433807252 979589796 /nfs/dbraw/zinc/58/97/96/979589796.db2.gz FBETUMSXLDQPIN-UHFFFAOYSA-N 1 0 420.492 3.694 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000433939203 979698842 /nfs/dbraw/zinc/69/88/42/979698842.db2.gz GSDOKKDAUWWMFC-UHFFFAOYSA-N 1 0 415.497 3.690 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2ncc3n2CCCC3)CC1)C(C)C ZINC000433942879 979701487 /nfs/dbraw/zinc/70/14/87/979701487.db2.gz XJNZABIHOOAUIS-JOCHJYFZSA-N 1 0 413.610 3.807 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2ncc3n2CCCC3)CC1)C(C)C ZINC000433942880 979702358 /nfs/dbraw/zinc/70/23/58/979702358.db2.gz XJNZABIHOOAUIS-QFIPXVFZSA-N 1 0 413.610 3.807 20 30 HHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccccc1C#N ZINC000434314619 980075725 /nfs/dbraw/zinc/07/57/25/980075725.db2.gz MFMCGKFSLOORCY-NRFANRHFSA-N 1 0 415.497 3.528 20 30 HHEDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000434980810 980546934 /nfs/dbraw/zinc/54/69/34/980546934.db2.gz BOKPOPWTADTMDJ-UXHICEINSA-N 1 0 423.561 3.505 20 30 HHEDRO CCN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000434989379 980552613 /nfs/dbraw/zinc/55/26/13/980552613.db2.gz AFHQAIIUHFMKOR-DEOSSOPVSA-N 1 0 414.557 3.955 20 30 HHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000435000701 980560263 /nfs/dbraw/zinc/56/02/63/980560263.db2.gz SWQUAZFJSHPPBU-UHFFFAOYSA-N 1 0 421.545 3.720 20 30 HHEDRO N#Cc1cccc(C2(C(=O)N[C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CC2)c1 ZINC000435021292 980577312 /nfs/dbraw/zinc/57/73/12/980577312.db2.gz PJZOASQWTBIJQM-FQEVSTJZSA-N 1 0 413.443 3.999 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3(c4cccc(C#N)c4)CC3)cc2)C[C@H](C)O1 ZINC000435044354 980592331 /nfs/dbraw/zinc/59/23/31/980592331.db2.gz FXKFBQPESRDUDW-KDURUIRLSA-N 1 0 403.526 3.515 20 30 HHEDRO COc1ccc([C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+]2CCCCC2)cc1 ZINC000435050726 980597095 /nfs/dbraw/zinc/59/70/95/980597095.db2.gz MUVAVMCBQOGHIP-QHCPKHFHSA-N 1 0 403.526 3.942 20 30 HHEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC)cc1OC ZINC000435124283 980656439 /nfs/dbraw/zinc/65/64/39/980656439.db2.gz NVCZDMQFICGKLC-UHFFFAOYSA-N 1 0 405.502 3.898 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131000 980662242 /nfs/dbraw/zinc/66/22/42/980662242.db2.gz AHQSRNZQKAPAFA-LEWJYISDSA-N 1 0 406.578 3.945 20 30 HHEDRO CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435133944 980665543 /nfs/dbraw/zinc/66/55/43/980665543.db2.gz UIBFDGFAMUXTGP-HSZRJFAPSA-N 1 0 400.530 3.565 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000435632590 980968066 /nfs/dbraw/zinc/96/80/66/980968066.db2.gz PYHWPEUTUJKGRK-MRXNPFEDSA-N 1 0 410.493 3.662 20 30 HHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)CNc3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000435835569 981053424 /nfs/dbraw/zinc/05/34/24/981053424.db2.gz NCUSWBFEVIBIQM-UHFFFAOYSA-N 1 0 421.545 3.540 20 30 HHEDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332747 981305918 /nfs/dbraw/zinc/30/59/18/981305918.db2.gz IECRPYUJUUJJNF-RBUKOAKNSA-N 1 0 420.557 3.773 20 30 HHEDRO N#CCCCOc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000437034452 981705144 /nfs/dbraw/zinc/70/51/44/981705144.db2.gz FCOOLDWGXQEQHB-UHFFFAOYSA-N 1 0 420.513 3.585 20 30 HHEDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437089562 981755913 /nfs/dbraw/zinc/75/59/13/981755913.db2.gz HGFWDNGYHCOLBS-FVWXCPNNSA-N 1 0 423.473 3.558 20 30 HHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437096686 981758784 /nfs/dbraw/zinc/75/87/84/981758784.db2.gz MTJCXLKGQCUFOK-HQLNMQRFSA-N 1 0 405.546 3.538 20 30 HHEDRO CC(=O)NCCc1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437110103 981766216 /nfs/dbraw/zinc/76/62/16/981766216.db2.gz ZSFRELRKXOUNKJ-YTZBPGPESA-N 1 0 406.530 3.673 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1cccc(C)c1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437328377 981979901 /nfs/dbraw/zinc/97/99/01/981979901.db2.gz BRYRNOXLHOWQRK-NRFANRHFSA-N 1 0 418.541 3.708 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437348225 981998649 /nfs/dbraw/zinc/99/86/49/981998649.db2.gz VDZAOZJSKJIBEY-NRFANRHFSA-N 1 0 422.504 3.539 20 30 HHEDRO COc1cc(CNC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000460366178 982142228 /nfs/dbraw/zinc/14/22/28/982142228.db2.gz YRBCRGLVVCVHSI-QZTJIDSGSA-N 1 0 406.530 3.523 20 30 HHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460375715 982152985 /nfs/dbraw/zinc/15/29/85/982152985.db2.gz QJUDEGMOVFZXAC-LJQANCHMSA-N 1 0 410.522 3.884 20 30 HHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000437717142 982314901 /nfs/dbraw/zinc/31/49/01/982314901.db2.gz AKHAOJGYRVOZHN-IMWIBFENSA-N 1 0 418.541 3.729 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000437748528 982334575 /nfs/dbraw/zinc/33/45/75/982334575.db2.gz QRNGQXFAUKIIOE-UEVCKROQSA-N 1 0 405.498 3.674 20 30 HHEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)c2)cc1 ZINC000437760350 982340540 /nfs/dbraw/zinc/34/05/40/982340540.db2.gz QMOGNJLZJRKVGX-JOCHJYFZSA-N 1 0 402.498 3.810 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460566437 982351266 /nfs/dbraw/zinc/35/12/66/982351266.db2.gz RXUWSBKXSYAYDG-KBPBESRZSA-N 1 0 407.360 3.531 20 30 HHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437882589 982433209 /nfs/dbraw/zinc/43/32/09/982433209.db2.gz QXSHVJBCFQEQCE-HNNXBMFYSA-N 1 0 419.394 3.782 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000437950916 982482293 /nfs/dbraw/zinc/48/22/93/982482293.db2.gz FCCZUWOQFIYSJS-JCTONOIOSA-N 1 0 419.525 3.983 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)C[C@H]1C ZINC000460746650 982505255 /nfs/dbraw/zinc/50/52/55/982505255.db2.gz DSWIJBAOPOVSAL-UYAOXDASSA-N 1 0 410.566 3.694 20 30 HHEDRO CSc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000437988146 982509147 /nfs/dbraw/zinc/50/91/47/982509147.db2.gz ADGRRLQIJHWSAW-UHFFFAOYSA-N 1 0 408.571 3.740 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460783870 982536457 /nfs/dbraw/zinc/53/64/57/982536457.db2.gz ZBYOIHJFPIWUKB-UEXGIBASSA-N 1 0 411.550 3.533 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460791216 982544625 /nfs/dbraw/zinc/54/46/25/982544625.db2.gz FHTSZDWMALBEMV-GHTZIAJQSA-N 1 0 410.566 3.552 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460796176 982549067 /nfs/dbraw/zinc/54/90/67/982549067.db2.gz FNDIADONOOKYHS-NQIIRXRSSA-N 1 0 413.566 3.608 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N(CCC)CCN1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000460880739 982620156 /nfs/dbraw/zinc/62/01/56/982620156.db2.gz KQCYNXIRAVOMEW-OAQYLSRUSA-N 1 0 408.537 3.641 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000460886036 982624248 /nfs/dbraw/zinc/62/42/48/982624248.db2.gz UPHAJBIATKZDJS-DNVCBOLYSA-N 1 0 419.367 3.747 20 30 HHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460937662 982675989 /nfs/dbraw/zinc/67/59/89/982675989.db2.gz OUHOBPMISZWPBM-AZUAARDMSA-N 1 0 404.562 3.989 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460949341 982684129 /nfs/dbraw/zinc/68/41/29/982684129.db2.gz BVRYNVGSOJBNJI-QHCPKHFHSA-N 1 0 416.573 3.941 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000438286258 982700995 /nfs/dbraw/zinc/70/09/95/982700995.db2.gz YCBHFDGQCFCWOR-DNVJHFABSA-N 1 0 404.514 3.626 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000438376116 982753012 /nfs/dbraw/zinc/75/30/12/982753012.db2.gz ITVOYAHRMLXODD-FXAWDEMLSA-N 1 0 416.447 3.605 20 30 HHEDRO N#Cc1csc(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000438485249 982831506 /nfs/dbraw/zinc/83/15/06/982831506.db2.gz LCVVGGRKSGMSKB-UHFFFAOYSA-N 1 0 416.550 3.872 20 30 HHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CCOCc1ccc(C#N)cc1)[NH+](C)C ZINC000461224406 982934641 /nfs/dbraw/zinc/93/46/41/982934641.db2.gz GCJAPVZXHBIIDI-WMZHIEFXSA-N 1 0 408.546 3.716 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000438627797 982948117 /nfs/dbraw/zinc/94/81/17/982948117.db2.gz BHTARRMFHDGUQM-KDOFPFPSSA-N 1 0 412.456 3.836 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438655572 982973371 /nfs/dbraw/zinc/97/33/71/982973371.db2.gz MHPQNFYZKHKIIU-UZLBHIALSA-N 1 0 424.932 3.834 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1 ZINC000461428548 983091722 /nfs/dbraw/zinc/09/17/22/983091722.db2.gz IJQLDTREWOBGFO-DHIUTWEWSA-N 1 0 420.553 3.783 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC000461428550 983091864 /nfs/dbraw/zinc/09/18/64/983091864.db2.gz IJQLDTREWOBGFO-PKTZIBPZSA-N 1 0 420.553 3.783 20 30 HHEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000438858477 983124356 /nfs/dbraw/zinc/12/43/56/983124356.db2.gz OLYKVJVXUHZQHI-XMMPIXPASA-N 1 0 419.573 3.668 20 30 HHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461484407 983139814 /nfs/dbraw/zinc/13/98/14/983139814.db2.gz FPKFDKWAYODSOG-PXNSSMCTSA-N 1 0 418.570 3.990 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461509549 983157485 /nfs/dbraw/zinc/15/74/85/983157485.db2.gz RRURLEAOJDPTAG-IAGOWNOFSA-N 1 0 406.559 3.845 20 30 HHEDRO C[C@H]1C[NH+](CC2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)CC2)C[C@H](C)O1 ZINC000439153648 983277264 /nfs/dbraw/zinc/27/72/64/983277264.db2.gz MJBAZBMZMDNJMI-KBPBESRZSA-N 1 0 418.463 3.849 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([C@H]4CCCO4)CC3)sc2C1 ZINC000439292817 983348637 /nfs/dbraw/zinc/34/86/37/983348637.db2.gz IWQSZHREUJCFES-DNVCBOLYSA-N 1 0 401.576 3.964 20 30 HHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000439390571 983390658 /nfs/dbraw/zinc/39/06/58/983390658.db2.gz VYFIZDBJMCVMFW-CQSZACIVSA-N 1 0 415.444 3.902 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000439454650 983417812 /nfs/dbraw/zinc/41/78/12/983417812.db2.gz OGHCUXMMCQXNAZ-ROUUACIJSA-N 1 0 416.591 3.646 20 30 HHEDRO CCCc1c(NC(=O)NCC2(C[NH+](C)C)CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439673539 983495400 /nfs/dbraw/zinc/49/54/00/983495400.db2.gz UZMWAXXAFOXGKL-UHFFFAOYSA-N 1 0 408.550 3.940 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440486506 983774055 /nfs/dbraw/zinc/77/40/55/983774055.db2.gz YROVXXYYZNNQOV-UZUQRXQVSA-N 1 0 409.555 3.833 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1C ZINC000440648280 983837373 /nfs/dbraw/zinc/83/73/73/983837373.db2.gz WSBUOBHVIWVKMD-XMMPIXPASA-N 1 0 405.542 3.922 20 30 HHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000440802315 983912721 /nfs/dbraw/zinc/91/27/21/983912721.db2.gz CYRJQXLXEGGEPH-NRFANRHFSA-N 1 0 407.514 3.809 20 30 HHEDRO COc1cc(C[NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)ccc1C#N ZINC000440831723 983928036 /nfs/dbraw/zinc/92/80/36/983928036.db2.gz NMRMEMZMJGONBD-FOIQADDNSA-N 1 0 417.912 3.911 20 30 HHEDRO C=CCC[C@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865774 983941883 /nfs/dbraw/zinc/94/18/83/983941883.db2.gz QCCJYQOGFHGXKG-LPHOPBHVSA-N 1 0 412.500 3.648 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441272568 984152111 /nfs/dbraw/zinc/15/21/11/984152111.db2.gz AEXCSSYEHDDYQM-IXDOHACOSA-N 1 0 401.576 3.964 20 30 HHEDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441273756 984153085 /nfs/dbraw/zinc/15/30/85/984153085.db2.gz XVNGHPHISUHEDK-LSDHHAIUSA-N 1 0 405.951 3.916 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000441686195 984395167 /nfs/dbraw/zinc/39/51/67/984395167.db2.gz IYGKZEXMTCEDOY-LZJOCLMNSA-N 1 0 424.570 3.827 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1 ZINC000441766964 984440141 /nfs/dbraw/zinc/44/01/41/984440141.db2.gz OGYUSSLQDMMTNV-SFHVURJKSA-N 1 0 423.513 3.549 20 30 HHEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000441772975 984443623 /nfs/dbraw/zinc/44/36/23/984443623.db2.gz ANEBDONEIDQDLZ-UHFFFAOYSA-N 1 0 420.513 3.526 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000441906128 984530213 /nfs/dbraw/zinc/53/02/13/984530213.db2.gz SHKXDOSUADYIKQ-CQSZACIVSA-N 1 0 424.467 3.532 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000442269610 984783146 /nfs/dbraw/zinc/78/31/46/984783146.db2.gz PBNUPZHKQIMXBL-UHFFFAOYSA-N 1 0 413.905 3.837 20 30 HHEDRO N#Cc1ccc(OC2CN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)C2)cc1 ZINC000461927436 984935966 /nfs/dbraw/zinc/93/59/66/984935966.db2.gz ILQSEZDVWVQBHG-UHFFFAOYSA-N 1 0 420.513 3.718 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)c1 ZINC000461982400 984966525 /nfs/dbraw/zinc/96/65/25/984966525.db2.gz GTLVNCKNCNLOPR-UHFFFAOYSA-N 1 0 406.530 3.805 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000462007541 984987295 /nfs/dbraw/zinc/98/72/95/984987295.db2.gz GXMSNZDVUMUHSM-IBGZPJMESA-N 1 0 417.340 3.735 20 30 HHEDRO C[C@@H](C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1 ZINC000462044962 985019139 /nfs/dbraw/zinc/01/91/39/985019139.db2.gz AAMKOUARURNLKG-GOSISDBHSA-N 1 0 410.949 3.644 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000442634898 985110608 /nfs/dbraw/zinc/11/06/08/985110608.db2.gz OHJHIGIMLCJMHN-OAQYLSRUSA-N 1 0 421.541 3.561 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000462158082 985132544 /nfs/dbraw/zinc/13/25/44/985132544.db2.gz QPFMSIKSDFIVFH-UHFFFAOYSA-N 1 0 417.962 3.744 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1cccs1 ZINC000462304674 985290727 /nfs/dbraw/zinc/29/07/27/985290727.db2.gz XTNDNEQUYSSVBK-SCLBCKFNSA-N 1 0 409.964 3.635 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000443010338 985333946 /nfs/dbraw/zinc/33/39/46/985333946.db2.gz DIQYPDSIFHTTHP-JXFKEZNVSA-N 1 0 401.507 3.543 20 30 HHEDRO N#Cc1c(Cl)cccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000443079115 985365393 /nfs/dbraw/zinc/36/53/93/985365393.db2.gz NCMJSGNRSXIXDG-AYHJJNSGSA-N 1 0 415.946 3.686 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443120897 985389449 /nfs/dbraw/zinc/38/94/49/985389449.db2.gz BCJBJARHQMBXTL-HNNXBMFYSA-N 1 0 403.935 3.716 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443130677 985395483 /nfs/dbraw/zinc/39/54/83/985395483.db2.gz NQXFKHXTMQGPKC-OXJNMPFZSA-N 1 0 417.962 3.885 20 30 HHEDRO CCN(C(=O)NCc1ccc(C#N)c(OC)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462476618 985433591 /nfs/dbraw/zinc/43/35/91/985433591.db2.gz AQBLYKANTXDELC-XMSQKQJNSA-N 1 0 406.530 3.934 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443495178 985669713 /nfs/dbraw/zinc/66/97/13/985669713.db2.gz XCIUWUCTTHGOPG-UHFFFAOYSA-N 1 0 411.412 3.861 20 30 HHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443671182 985876859 /nfs/dbraw/zinc/87/68/59/985876859.db2.gz BOPWBWQDDWIESU-PMACEKPBSA-N 1 0 421.541 3.756 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024039 985982854 /nfs/dbraw/zinc/98/28/54/985982854.db2.gz WCEQNFLFEWNABY-DVECYGJZSA-N 1 0 418.541 3.632 20 30 HHEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC000443795906 985996895 /nfs/dbraw/zinc/99/68/95/985996895.db2.gz ADPFROZCWQDDHS-LGQZFRORSA-N 1 0 419.573 3.577 20 30 HHEDRO CC(C)c1nn(C)c2sc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc12 ZINC000463120363 986084934 /nfs/dbraw/zinc/08/49/34/986084934.db2.gz PKRATJLNRQQHOF-UHFFFAOYSA-N 1 0 409.559 3.834 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c(OC)c1 ZINC000463202755 986173872 /nfs/dbraw/zinc/17/38/72/986173872.db2.gz ZLVPOGJQNLHVGS-VTSJOCERSA-N 1 0 417.590 3.815 20 30 HHEDRO N#Cc1ccc(C2(C(=O)NC3CC[NH+](CCOc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000444031570 986227088 /nfs/dbraw/zinc/22/70/88/986227088.db2.gz NDIWXYGFNNCVTC-UHFFFAOYSA-N 1 0 423.944 3.903 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000463263339 986231236 /nfs/dbraw/zinc/23/12/36/986231236.db2.gz VILUMPIUNQZYQP-DHIUTWEWSA-N 1 0 406.530 3.552 20 30 HHEDRO Cn1cc([C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cn1 ZINC000463283842 986250497 /nfs/dbraw/zinc/25/04/97/986250497.db2.gz BOQHYCBVADCHJN-XMMPIXPASA-N 1 0 403.505 3.774 20 30 HHEDRO Cn1cc([C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2)cn1 ZINC000463283841 986250856 /nfs/dbraw/zinc/25/08/56/986250856.db2.gz BOQHYCBVADCHJN-DEOSSOPVSA-N 1 0 403.505 3.774 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCN3CCc4c(Cl)cccc4C3)CC2)cc1 ZINC000463290677 986258184 /nfs/dbraw/zinc/25/81/84/986258184.db2.gz TXOMTGOKHSCRQC-UHFFFAOYSA-N 1 0 408.977 3.824 20 30 HHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(-n2cc(Cl)cn2)n1 ZINC000468620553 986336186 /nfs/dbraw/zinc/33/61/86/986336186.db2.gz KQYNXUTYJIZASM-UHFFFAOYSA-N 1 0 417.904 3.791 20 30 HHEDRO C[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000468663033 986373146 /nfs/dbraw/zinc/37/31/46/986373146.db2.gz VFDVHPZZDLZDBM-JHMXWDHMSA-N 1 0 409.574 3.783 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444780 986424399 /nfs/dbraw/zinc/42/43/99/986424399.db2.gz SMZPQPGCCGOIPG-CJFMBICVSA-N 1 0 423.532 3.778 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444781 986424696 /nfs/dbraw/zinc/42/46/96/986424696.db2.gz SMZPQPGCCGOIPG-CPJSRVTESA-N 1 0 423.532 3.778 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444782 986424745 /nfs/dbraw/zinc/42/47/45/986424745.db2.gz SMZPQPGCCGOIPG-NBGIEHNGSA-N 1 0 423.532 3.778 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000444398651 986578300 /nfs/dbraw/zinc/57/83/00/986578300.db2.gz VCYCDQWQHCHWIG-UHFFFAOYSA-N 1 0 419.529 3.589 20 30 HHEDRO Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000468873714 986581000 /nfs/dbraw/zinc/58/10/00/986581000.db2.gz FVKAWUVUKAUDJO-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444602189 986789064 /nfs/dbraw/zinc/78/90/64/986789064.db2.gz YWBLASSOLYLONT-YADHBBJMSA-N 1 0 419.569 3.749 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444627832 986814586 /nfs/dbraw/zinc/81/45/86/986814586.db2.gz ZIYIRMIAJGXLPD-SANMLTNESA-N 1 0 416.613 3.988 20 30 HHEDRO C=CCc1cc(CNC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)cc(OC)c1OC ZINC000469127428 986846548 /nfs/dbraw/zinc/84/65/48/986846548.db2.gz YTYZTXXNXQHYJJ-UHFFFAOYSA-N 1 0 423.557 3.504 20 30 HHEDRO CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000444754955 986916738 /nfs/dbraw/zinc/91/67/38/986916738.db2.gz VFTYGNRIJQYVAH-RBUKOAKNSA-N 1 0 412.578 3.724 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469223800 986946402 /nfs/dbraw/zinc/94/64/02/986946402.db2.gz ZCGWUIKYBUBAMQ-DYESRHJHSA-N 1 0 400.482 3.854 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000444820489 986973878 /nfs/dbraw/zinc/97/38/78/986973878.db2.gz WACJDUSEOZIBIA-KRWDZBQOSA-N 1 0 415.607 3.618 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000444825260 986981083 /nfs/dbraw/zinc/98/10/83/986981083.db2.gz JMPDELMJJFJZRN-GOSISDBHSA-N 1 0 422.529 3.968 20 30 HHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000469294624 987009981 /nfs/dbraw/zinc/00/99/81/987009981.db2.gz REFRWIKLKLZIHB-UHFFFAOYSA-N 1 0 400.482 3.916 20 30 HHEDRO CCO[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000445000932 987130600 /nfs/dbraw/zinc/13/06/00/987130600.db2.gz QWILANWBWDBMJH-QHCPKHFHSA-N 1 0 406.530 3.553 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000469472748 987157100 /nfs/dbraw/zinc/15/71/00/987157100.db2.gz PSVFAVXRTHOPPO-JOCHJYFZSA-N 1 0 408.546 3.881 20 30 HHEDRO C[NH+](C)C1(CNC(=O)c2cn(CCCC#N)c3ccccc23)Cc2ccccc2C1 ZINC000469475406 987159182 /nfs/dbraw/zinc/15/91/82/987159182.db2.gz ZISWCRQOVHPGCJ-UHFFFAOYSA-N 1 0 400.526 3.774 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000469617312 987279213 /nfs/dbraw/zinc/27/92/13/987279213.db2.gz JWGKSXSZSMTKIK-IBGZPJMESA-N 1 0 407.514 3.527 20 30 HHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000469634217 987293299 /nfs/dbraw/zinc/29/32/99/987293299.db2.gz RXBFQMMRRHSLSH-JOCHJYFZSA-N 1 0 420.557 3.699 20 30 HHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000470211587 988136834 /nfs/dbraw/zinc/13/68/34/988136834.db2.gz JSVGYNLIISMHDT-QFIPXVFZSA-N 1 0 403.526 3.941 20 30 HHEDRO CCc1nc2ccc(Cl)cn2c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000464286134 988407564 /nfs/dbraw/zinc/40/75/64/988407564.db2.gz QGEYUKKZZOOPGE-UHFFFAOYSA-N 1 0 421.932 3.838 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3c(Br)ccc(Cl)c3C2)CC1 ZINC000464364763 988522376 /nfs/dbraw/zinc/52/23/76/988522376.db2.gz JGSHGMDYNKRYOK-UHFFFAOYSA-N 1 0 412.759 3.821 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)N(CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000470525654 988526687 /nfs/dbraw/zinc/52/66/87/988526687.db2.gz JQFJJDCLMZBGBB-WOJBJXKFSA-N 1 0 406.530 3.655 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)ccc21 ZINC000470561247 988577652 /nfs/dbraw/zinc/57/76/52/988577652.db2.gz PZMYAAJSTBGUIY-UHFFFAOYSA-N 1 0 423.561 3.752 20 30 HHEDRO CN(C(=O)C[N@H+](CCCOc1ccccc1)C1CCOCC1)C1(C#N)CCCCC1 ZINC000464583100 988762610 /nfs/dbraw/zinc/76/26/10/988762610.db2.gz RGECLAVFPGLNQV-UHFFFAOYSA-N 1 0 413.562 3.621 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)ccc21 ZINC000470844360 988922578 /nfs/dbraw/zinc/92/25/78/988922578.db2.gz LHDJVDMRASNDBI-LJQANCHMSA-N 1 0 408.546 3.863 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000464773479 988998515 /nfs/dbraw/zinc/99/85/15/988998515.db2.gz JGHYFXKMANZTRF-IAGOWNOFSA-N 1 0 402.608 3.737 20 30 HHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967767 989031401 /nfs/dbraw/zinc/03/14/01/989031401.db2.gz MVUSWMXXVCMQIV-SFHVURJKSA-N 1 0 414.619 3.881 20 30 HHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000470967766 989031688 /nfs/dbraw/zinc/03/16/88/989031688.db2.gz MVUSWMXXVCMQIV-GOSISDBHSA-N 1 0 414.619 3.881 20 30 HHEDRO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCN(c2ccccn2)CC1 ZINC000464813227 989047597 /nfs/dbraw/zinc/04/75/97/989047597.db2.gz XDGVSGKDEGDRHM-UHFFFAOYSA-N 1 0 402.502 3.742 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](C[N@H+](C)CC4CC4)C3)sc2C1 ZINC000470983507 989048366 /nfs/dbraw/zinc/04/83/66/989048366.db2.gz OBFFNNQPAMUGLZ-WMZOPIPTSA-N 1 0 414.619 3.737 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471159490 989277556 /nfs/dbraw/zinc/27/75/56/989277556.db2.gz GRXWQGLLLWFTOG-DEOSSOPVSA-N 1 0 400.526 3.789 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464980013 989282452 /nfs/dbraw/zinc/28/24/52/989282452.db2.gz JFMYGAPWRIQMPU-ZJSXRUAMSA-N 1 0 405.542 3.942 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000471230087 989374153 /nfs/dbraw/zinc/37/41/53/989374153.db2.gz LGNQNQLAYOEVRW-SFHVURJKSA-N 1 0 406.530 3.742 20 30 HHEDRO N#CCCn1ncc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1-c1ccccc1 ZINC000471284653 989440029 /nfs/dbraw/zinc/44/00/29/989440029.db2.gz YFWREYTZKUPLRH-NRFANRHFSA-N 1 0 413.525 3.716 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 ZINC000471295636 989455764 /nfs/dbraw/zinc/45/57/64/989455764.db2.gz CBNMAPVYGLZANH-OAQYLSRUSA-N 1 0 405.546 3.959 20 30 HHEDRO Cc1c2cc(F)ccc2oc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000471310642 989472048 /nfs/dbraw/zinc/47/20/48/989472048.db2.gz PIIHUBCYYWGURA-UHFFFAOYSA-N 1 0 415.490 3.505 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)c1ccccc1 ZINC000471369467 989543157 /nfs/dbraw/zinc/54/31/57/989543157.db2.gz ODVSPQIQEHVMQG-GOTSBHOMSA-N 1 0 419.573 3.677 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000471567889 989769070 /nfs/dbraw/zinc/76/90/70/989769070.db2.gz YTEKFTDXSHPZCH-XMMPIXPASA-N 1 0 421.541 3.710 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000471569390 989770577 /nfs/dbraw/zinc/77/05/77/989770577.db2.gz GYZXNTBUUSNMNM-QHCPKHFHSA-N 1 0 407.514 3.923 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471599161 989802958 /nfs/dbraw/zinc/80/29/58/989802958.db2.gz OTYVDDSATKHQPX-HXUWFJFHSA-N 1 0 415.459 3.878 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000465574000 989942052 /nfs/dbraw/zinc/94/20/52/989942052.db2.gz OTOXXAARMZSPED-DHIUTWEWSA-N 1 0 406.530 3.608 20 30 HHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCSCc1ccccc1C#N ZINC000465634505 990020881 /nfs/dbraw/zinc/02/08/81/990020881.db2.gz QHPWUJPWRROOBX-OAQYLSRUSA-N 1 0 422.598 3.955 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000471969815 990135267 /nfs/dbraw/zinc/13/52/67/990135267.db2.gz KOVIHGXWJXLEKO-HNNXBMFYSA-N 1 0 401.486 3.585 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)C2)n1 ZINC000471971879 990137214 /nfs/dbraw/zinc/13/72/14/990137214.db2.gz XIIUTLAITNNQQV-QHCPKHFHSA-N 1 0 419.573 3.635 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2CN(C)Cc2ccco2)CC1 ZINC000465873932 990988646 /nfs/dbraw/zinc/98/86/46/990988646.db2.gz WXMQQIPLNCACHL-UHFFFAOYSA-N 1 0 410.562 3.751 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000465919785 991051572 /nfs/dbraw/zinc/05/15/72/991051572.db2.gz IZTPWGKMMASYQP-UHFFFAOYSA-N 1 0 406.530 3.812 20 30 HHEDRO C=CC1CCN(C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000466061016 991234018 /nfs/dbraw/zinc/23/40/18/991234018.db2.gz FGWYWUZOHINNHZ-UHFFFAOYSA-N 1 0 410.484 3.565 20 30 HHEDRO CO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000466088486 991267363 /nfs/dbraw/zinc/26/73/63/991267363.db2.gz GJGVNFZZRLRMGW-NRFANRHFSA-N 1 0 414.937 3.673 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000466107800 991285539 /nfs/dbraw/zinc/28/55/39/991285539.db2.gz OKJZAXIWSZHXIQ-KNQAVFIVSA-N 1 0 406.530 3.632 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)cc1OCCCC#N ZINC000466475584 991767847 /nfs/dbraw/zinc/76/78/47/991767847.db2.gz UNLZQPOADBTPHY-RXVVDRJESA-N 1 0 407.514 3.657 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466531318 991830339 /nfs/dbraw/zinc/83/03/39/991830339.db2.gz TVINHQIFKSZBEZ-WIYYLYMNSA-N 1 0 408.502 3.955 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000466592721 991908679 /nfs/dbraw/zinc/90/86/79/991908679.db2.gz IJSGXPFNDBSFQI-UHFFFAOYSA-N 1 0 413.547 3.859 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH+]2CCN(c3cccs3)CC2)sc2c1CCCC2 ZINC000466670840 991985484 /nfs/dbraw/zinc/98/54/84/991985484.db2.gz KCAVNDCTNYIXDR-UHFFFAOYSA-N 1 0 400.573 3.711 20 30 HHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC2 ZINC000467211343 992536050 /nfs/dbraw/zinc/53/60/50/992536050.db2.gz LLLHLGSMKMUOIF-QRVBRYPASA-N 1 0 400.592 3.824 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cc2ccccc2o1 ZINC000467274861 992596746 /nfs/dbraw/zinc/59/67/46/992596746.db2.gz JIKZIHSIBHSEQA-WMZOPIPTSA-N 1 0 408.527 3.554 20 30 HHEDRO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467300625 992625919 /nfs/dbraw/zinc/62/59/19/992625919.db2.gz UMGYCLQYIOVODZ-UHFFFAOYSA-N 1 0 407.352 3.631 20 30 HHEDRO C=C(C)CN(CC)C(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301719 992627294 /nfs/dbraw/zinc/62/72/94/992627294.db2.gz QUGQSIXTOOABLX-UHFFFAOYSA-N 1 0 409.368 3.855 20 30 HHEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC000467666905 992925495 /nfs/dbraw/zinc/92/54/95/992925495.db2.gz DXHOKNLEVUJQNJ-UHFFFAOYSA-N 1 0 410.518 3.950 20 30 HHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000472266098 993289951 /nfs/dbraw/zinc/28/99/51/993289951.db2.gz PYEQDSVAFCDQPR-RXVVDRJESA-N 1 0 402.498 3.600 20 30 HHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](CC)CN1C(C)=O ZINC000472322939 993333629 /nfs/dbraw/zinc/33/36/29/993333629.db2.gz GWTSQGPLWTXSLW-DLBZAZTESA-N 1 0 416.591 3.548 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472629312 993570938 /nfs/dbraw/zinc/57/09/38/993570938.db2.gz KVFXDHCLNCZHSC-KRWDZBQOSA-N 1 0 408.546 3.589 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000481064298 993904350 /nfs/dbraw/zinc/90/43/50/993904350.db2.gz UTOVHZUDSHABIH-UWJYYQICSA-N 1 0 415.534 3.512 20 30 HHEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481167706 993997798 /nfs/dbraw/zinc/99/77/98/993997798.db2.gz LWLSINLAXLOUFE-LLGFUMIMSA-N 1 0 422.598 3.936 20 30 HHEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169847 994001175 /nfs/dbraw/zinc/00/11/75/994001175.db2.gz JDRRPDFRWUGIIY-NMMYMHLASA-N 1 0 422.548 3.961 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000473175226 994042398 /nfs/dbraw/zinc/04/23/98/994042398.db2.gz SKLKKYYFEWGUKS-QHCPKHFHSA-N 1 0 407.539 3.959 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000481266616 994085305 /nfs/dbraw/zinc/08/53/05/994085305.db2.gz CXVCXVCPCPAZDO-YADHBBJMSA-N 1 0 422.598 3.978 20 30 HHEDRO CN1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000481286870 994102450 /nfs/dbraw/zinc/10/24/50/994102450.db2.gz SCYRNGMDYKBTID-HKUYNNGSSA-N 1 0 401.461 3.960 20 30 HHEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C ZINC000473313316 994173982 /nfs/dbraw/zinc/17/39/82/994173982.db2.gz WWMRKKROBAVTNA-UHFFFAOYSA-N 1 0 422.529 3.914 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000481484606 994317495 /nfs/dbraw/zinc/31/74/95/994317495.db2.gz LDEFCFIJWSYWBW-DYESRHJHSA-N 1 0 412.509 3.526 20 30 HHEDRO N#Cc1ccc(CSCC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000473517393 994371716 /nfs/dbraw/zinc/37/17/16/994371716.db2.gz AASCXNKLUOLQLK-UHFFFAOYSA-N 1 0 411.493 3.713 20 30 HHEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1OC)c1ccc(F)c(F)c1 ZINC000481610588 994465992 /nfs/dbraw/zinc/46/59/92/994465992.db2.gz QIZDBOFMBONEQB-VGOFRKELSA-N 1 0 405.441 3.823 20 30 HHEDRO N#Cc1ccc(C2(C(=O)N[C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 ZINC000473593142 994471202 /nfs/dbraw/zinc/47/12/02/994471202.db2.gz QFMMJBYMGYIWKL-FQEVSTJZSA-N 1 0 413.443 3.999 20 30 HHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4cc(C#N)ccn4)cc3)CC2)c1 ZINC000481621997 994483927 /nfs/dbraw/zinc/48/39/27/994483927.db2.gz DVMVPDPUVUSGOB-UHFFFAOYSA-N 1 0 411.509 3.836 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000481649229 994512150 /nfs/dbraw/zinc/51/21/50/994512150.db2.gz CWUPFTWVUCZAPX-XMMPIXPASA-N 1 0 423.582 3.910 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@]3(C1)OCc1ccccc13)CCC2 ZINC000481717119 994578348 /nfs/dbraw/zinc/57/83/48/994578348.db2.gz ISGUUFZQHQSUCP-HSZRJFAPSA-N 1 0 407.539 3.959 20 30 HHEDRO N#CC1(NC(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CCCCC1 ZINC000481735282 994592419 /nfs/dbraw/zinc/59/24/19/994592419.db2.gz ICTLLSAOZVFLGD-SFHVURJKSA-N 1 0 408.315 3.972 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000473808913 994734860 /nfs/dbraw/zinc/73/48/60/994734860.db2.gz PMDJJHLPJAUJRO-QGZVFWFLSA-N 1 0 411.377 3.912 20 30 HHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000481880861 994745149 /nfs/dbraw/zinc/74/51/49/994745149.db2.gz FQDNBYSWYVNMGE-YLJYHZDGSA-N 1 0 401.919 3.517 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000481920143 994792424 /nfs/dbraw/zinc/79/24/24/994792424.db2.gz TVGVGCWXXOFERD-RUZDIDTESA-N 1 0 405.542 3.827 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)CSCc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482017933 994928289 /nfs/dbraw/zinc/92/82/89/994928289.db2.gz KMCWLENFZYSKCF-ISKFKSNPSA-N 1 0 421.566 3.894 20 30 HHEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474236507 995233988 /nfs/dbraw/zinc/23/39/88/995233988.db2.gz FNPYKHJSYDXJRI-OAQYLSRUSA-N 1 0 400.526 3.944 20 30 HHEDRO CC1([N@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000474270074 995266972 /nfs/dbraw/zinc/26/69/72/995266972.db2.gz WXEGVYYOKYWMNW-UHFFFAOYSA-N 1 0 405.498 3.738 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)nnc1-c1ccco1 ZINC000482427881 995419800 /nfs/dbraw/zinc/41/98/00/995419800.db2.gz REABRQFMZMZEKK-QGZVFWFLSA-N 1 0 417.579 3.539 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000482432485 995425217 /nfs/dbraw/zinc/42/52/17/995425217.db2.gz BHERQRMYLNSASE-HXUWFJFHSA-N 1 0 421.541 3.513 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482478913 995484649 /nfs/dbraw/zinc/48/46/49/995484649.db2.gz OJWZXVBPSZVSBC-UTKZUKDTSA-N 1 0 406.534 3.787 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000482616566 995612753 /nfs/dbraw/zinc/61/27/53/995612753.db2.gz VCKWOAIXOCNAKV-LADGPHEKSA-N 1 0 418.541 3.633 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000482736695 995715532 /nfs/dbraw/zinc/71/55/32/995715532.db2.gz XLZDXJWVZQAFDQ-AUSIDOKSSA-N 1 0 416.468 3.990 20 30 HHEDRO C[C@H](CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)OCc1ccccc1 ZINC000475046595 995889668 /nfs/dbraw/zinc/88/96/68/995889668.db2.gz FLTTUSFYVLFSKM-GOSISDBHSA-N 1 0 406.486 3.924 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)Cc2cnccc2C)cc1 ZINC000483061051 995948009 /nfs/dbraw/zinc/94/80/09/995948009.db2.gz YJSHOESLNFQUSJ-UHFFFAOYSA-N 1 0 417.513 3.748 20 30 HHEDRO CC[C@@H]1CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@]2(CCOC2)O1 ZINC000483138342 995997492 /nfs/dbraw/zinc/99/74/92/995997492.db2.gz BKESOKLGMQMJAH-RDGATRHJSA-N 1 0 422.525 3.916 20 30 HHEDRO CC[C@H]1CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@]2(CCOC2)O1 ZINC000483138337 995997636 /nfs/dbraw/zinc/99/76/36/995997636.db2.gz BKESOKLGMQMJAH-DHLKQENFSA-N 1 0 422.525 3.916 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000483270288 996072537 /nfs/dbraw/zinc/07/25/37/996072537.db2.gz NCGOCRSTPRQDEU-QGZVFWFLSA-N 1 0 411.811 3.882 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+](CC1CC1)CC1CCC1)CCCC2 ZINC000483276011 996075867 /nfs/dbraw/zinc/07/58/67/996075867.db2.gz CHBGVZYUTNRMIB-FQEVSTJZSA-N 1 0 424.589 3.868 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000483313047 996092957 /nfs/dbraw/zinc/09/29/57/996092957.db2.gz RQKHYPBFOLWKCW-UHFFFAOYSA-N 1 0 415.603 3.769 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(-c2ccncc2)n1 ZINC000475428657 996131794 /nfs/dbraw/zinc/13/17/94/996131794.db2.gz FZICNTRKAMSTAS-UHFFFAOYSA-N 1 0 412.497 3.774 20 30 HHEDRO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483369784 996132155 /nfs/dbraw/zinc/13/21/55/996132155.db2.gz TWYJHQCVWVLCFL-HNNXBMFYSA-N 1 0 418.423 3.748 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483396067 996149762 /nfs/dbraw/zinc/14/97/62/996149762.db2.gz OQSPQKDYODCNCN-JTHBVZDNSA-N 1 0 421.566 3.789 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483482794 996209149 /nfs/dbraw/zinc/20/91/49/996209149.db2.gz KYZRXONNVTZPSL-PUHATCMVSA-N 1 0 408.590 3.704 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)CC3(C#N)CCCCC3)cc2)C1 ZINC000475562207 996220252 /nfs/dbraw/zinc/22/02/52/996220252.db2.gz MYLWZDLQIMFMLT-IBGZPJMESA-N 1 0 403.592 3.812 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000475654913 996280312 /nfs/dbraw/zinc/28/03/12/996280312.db2.gz KSCHVPUUQHKDNU-UHFFFAOYSA-N 1 0 420.513 3.988 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475655717 996280802 /nfs/dbraw/zinc/28/08/02/996280802.db2.gz KQSHNPXRUKTVHD-YADARESESA-N 1 0 423.582 3.946 20 30 HHEDRO CCc1nnc(-c2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)o1 ZINC000475675060 996292719 /nfs/dbraw/zinc/29/27/19/996292719.db2.gz GFABFUWDWJNZID-UHFFFAOYSA-N 1 0 418.501 3.766 20 30 HHEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000475728903 996328225 /nfs/dbraw/zinc/32/82/25/996328225.db2.gz VBULFUUZUJXMKR-XWSJACJDSA-N 1 0 412.578 3.722 20 30 HHEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000483724329 996350733 /nfs/dbraw/zinc/35/07/33/996350733.db2.gz KVJYPGACQITRQK-LEWJYISDSA-N 1 0 412.509 3.650 20 30 HHEDRO C[C@@H]1[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000475807919 996383804 /nfs/dbraw/zinc/38/38/04/996383804.db2.gz CSOKJNCKTCPNHA-NFBKMPQASA-N 1 0 402.542 3.576 20 30 HHEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000475925717 996475808 /nfs/dbraw/zinc/47/58/08/996475808.db2.gz KYDVTQQYXCTGCS-HSZRJFAPSA-N 1 0 416.525 3.592 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000476136276 996625884 /nfs/dbraw/zinc/62/58/84/996625884.db2.gz FMYGQUICJJPTJR-GMAHTHKFSA-N 1 0 418.541 3.879 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1C#N ZINC000484612314 996943821 /nfs/dbraw/zinc/94/38/21/996943821.db2.gz GAEVUNIDYOFFPA-NHCUHLMSSA-N 1 0 420.517 3.526 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1C#N ZINC000484613688 996945249 /nfs/dbraw/zinc/94/52/49/996945249.db2.gz BBEBGTTVPARGTN-FCHUYYIVSA-N 1 0 416.529 3.874 20 30 HHEDRO CC(C)(C#N)c1ccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000476569892 997066512 /nfs/dbraw/zinc/06/65/12/997066512.db2.gz OHYBQCXZEQXRIO-UHFFFAOYSA-N 1 0 405.542 3.935 20 30 HHEDRO Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000484876942 997241129 /nfs/dbraw/zinc/24/11/29/997241129.db2.gz DWPRWHUVWRWBEF-UHFFFAOYSA-N 1 0 418.472 3.608 20 30 HHEDRO COc1ccccc1-c1csc(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)n1 ZINC000485094659 997470303 /nfs/dbraw/zinc/47/03/03/997470303.db2.gz LVMHNFHVDRTNSS-UHFFFAOYSA-N 1 0 412.559 3.760 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000476947435 997563692 /nfs/dbraw/zinc/56/36/92/997563692.db2.gz CUXBQIRPNYPHET-QGZVFWFLSA-N 1 0 410.484 3.624 20 30 HHEDRO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237569 997618998 /nfs/dbraw/zinc/61/89/98/997618998.db2.gz ZWBNPCBZNIDHTM-NGYIFUPDSA-N 1 0 402.542 3.554 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)C2=O)cc1 ZINC000477064482 997710090 /nfs/dbraw/zinc/71/00/90/997710090.db2.gz KMOVDVFVQRSHPP-RSXGOPAZSA-N 1 0 414.553 3.652 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485314059 997723826 /nfs/dbraw/zinc/72/38/26/997723826.db2.gz CMKFRUQMFCDUSY-GPMSIDNRSA-N 1 0 400.592 3.632 20 30 HHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485350150 997771427 /nfs/dbraw/zinc/77/14/27/997771427.db2.gz QHCFKQHTHGZMIW-SGNDLWITSA-N 1 0 403.526 3.759 20 30 HHEDRO COc1c(Br)cccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485415487 997848816 /nfs/dbraw/zinc/84/88/16/997848816.db2.gz QQEFDDMUQXXSJV-SFHVURJKSA-N 1 0 414.303 3.615 20 30 HHEDRO C=CCSc1ccccc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000485452838 997895357 /nfs/dbraw/zinc/89/53/57/997895357.db2.gz DVGNSOVMZVTPLR-UHFFFAOYSA-N 1 0 409.599 3.902 20 30 HHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000477499924 998220700 /nfs/dbraw/zinc/22/07/00/998220700.db2.gz ARLOATTXUIIHKV-KRWDZBQOSA-N 1 0 417.497 3.702 20 30 HHEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000485821953 998288710 /nfs/dbraw/zinc/28/87/10/998288710.db2.gz OQUQCHKZHXQDLH-QGZVFWFLSA-N 1 0 402.947 3.924 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cc(F)cc(Br)c1 ZINC000485841390 998306744 /nfs/dbraw/zinc/30/67/44/998306744.db2.gz IACPIBRXOSPSSB-SFHVURJKSA-N 1 0 404.283 3.817 20 30 HHEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000477920637 998658135 /nfs/dbraw/zinc/65/81/35/998658135.db2.gz MPPVXFMCSVZYRC-GDBMZVCRSA-N 1 0 401.370 3.547 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)c1C#N ZINC000486248002 998674490 /nfs/dbraw/zinc/67/44/90/998674490.db2.gz BSVPCNBTVSVPGY-UHFFFAOYSA-N 1 0 423.561 3.507 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](C)c3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000486249489 998675174 /nfs/dbraw/zinc/67/51/74/998675174.db2.gz JIFXQOQNHASDOY-IRBZQWRBSA-N 1 0 404.514 3.905 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000486294251 998699601 /nfs/dbraw/zinc/69/96/01/998699601.db2.gz VLLICAVKOTXIRR-UHFFFAOYSA-N 1 0 417.351 3.714 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000478058174 998741086 /nfs/dbraw/zinc/74/10/86/998741086.db2.gz KSQVPXLSDRVYTO-FXAWDEMLSA-N 1 0 400.592 3.702 20 30 HHEDRO Cn1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000478299927 998872781 /nfs/dbraw/zinc/87/27/81/998872781.db2.gz RNFJZWSCNWGBFQ-UHFFFAOYSA-N 1 0 409.603 3.800 20 30 HHEDRO CSc1nnc(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n1CC(C)C ZINC000478300785 998873907 /nfs/dbraw/zinc/87/39/07/998873907.db2.gz HJLBXTNJJYKXIN-UHFFFAOYSA-N 1 0 423.590 3.651 20 30 HHEDRO Cn1cc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c(-c2ccc(C#N)cc2)n1 ZINC000478355902 998912376 /nfs/dbraw/zinc/91/23/76/998912376.db2.gz LPRSNTVZGPJZBW-UHFFFAOYSA-N 1 0 418.888 3.994 20 30 HHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000487393746 999158847 /nfs/dbraw/zinc/15/88/47/999158847.db2.gz MAQLZXKOVRLRJB-JOCHJYFZSA-N 1 0 417.601 3.917 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000487930706 999319258 /nfs/dbraw/zinc/31/92/58/999319258.db2.gz CLLVRDACFWUWPA-UHFFFAOYSA-N 1 0 401.308 3.747 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCc4c(O)cccc43)CC2)cc1 ZINC000479246798 999345175 /nfs/dbraw/zinc/34/51/75/999345175.db2.gz RSDLETVLABVIMY-JOCHJYFZSA-N 1 0 404.514 3.559 20 30 HHEDRO N#CC1(NC(=O)c2cccc([C@H]3CCCOC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479282806 999363934 /nfs/dbraw/zinc/36/39/34/999363934.db2.gz QPQQBPRENNEHTC-QHCPKHFHSA-N 1 0 403.526 3.869 20 30 HHEDRO CC(C)COc1cccc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479286593 999366050 /nfs/dbraw/zinc/36/60/50/999366050.db2.gz OBYNVRDLOORAQA-UHFFFAOYSA-N 1 0 421.541 3.775 20 30 HHEDRO N#CC1(NC(=O)Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479315782 999380910 /nfs/dbraw/zinc/38/09/10/999380910.db2.gz POPIEOPTGSAVCR-UHFFFAOYSA-N 1 0 401.432 3.922 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4nn(-c5ccccc5)cc43)C2=O)cc1 ZINC000479435516 999415259 /nfs/dbraw/zinc/41/52/59/999415259.db2.gz HICGEOCJHQWVGY-LADGPHEKSA-N 1 0 411.509 3.907 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000488332721 999444388 /nfs/dbraw/zinc/44/43/88/999444388.db2.gz TWFPCYRZUQWAKJ-IAGOWNOFSA-N 1 0 402.564 3.798 20 30 HHEDRO Cc1cc(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479536687 999466201 /nfs/dbraw/zinc/46/62/01/999466201.db2.gz MYKULYCKLGNCPL-XMMPIXPASA-N 1 0 417.557 3.615 20 30 HHEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000488479822 999501851 /nfs/dbraw/zinc/50/18/51/999501851.db2.gz BUFGXGYFCWCTAK-IERDGZPVSA-N 1 0 424.932 3.628 20 30 HHEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488482790 999503188 /nfs/dbraw/zinc/50/31/88/999503188.db2.gz SDSISISGYNZVSB-IIBYNOLFSA-N 1 0 424.932 3.628 20 30 HHEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000479623778 999506319 /nfs/dbraw/zinc/50/63/19/999506319.db2.gz ATINHTSZOCAGSJ-UHFFFAOYSA-N 1 0 422.598 3.713 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)(F)F ZINC000488502851 999509860 /nfs/dbraw/zinc/50/98/60/999509860.db2.gz IVEBYJYBAYCLNX-KDOFPFPSSA-N 1 0 403.404 3.909 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000488510816 999513101 /nfs/dbraw/zinc/51/31/01/999513101.db2.gz CNPQQEBQCJQQET-UGKGYDQZSA-N 1 0 408.542 3.829 20 30 HHEDRO COCCC[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000479671819 999530455 /nfs/dbraw/zinc/53/04/55/999530455.db2.gz LYUWESSUAORZET-UHFFFAOYSA-N 1 0 409.555 3.940 20 30 HHEDRO CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000479684513 999535894 /nfs/dbraw/zinc/53/58/94/999535894.db2.gz AWDUXZZBNBGYPU-BJKOFHAPSA-N 1 0 407.558 3.675 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488910112 999644191 /nfs/dbraw/zinc/64/41/91/999644191.db2.gz HDLOYNPWFHLVRF-INIZCTEOSA-N 1 0 401.507 3.550 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000488919986 999647131 /nfs/dbraw/zinc/64/71/31/999647131.db2.gz XXBPYPFKPBMNRC-INIZCTEOSA-N 1 0 401.507 3.550 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488920632 999647399 /nfs/dbraw/zinc/64/73/99/999647399.db2.gz RALGUUZQXGWYDX-APWZRJJASA-N 1 0 401.507 3.543 20 30 HHEDRO Cc1ccc2c(ncc(C#N)c2NC2CCN(CC[NH+](C)C)CC2)c1Br ZINC000479942637 999657017 /nfs/dbraw/zinc/65/70/17/999657017.db2.gz TUKXTDYOOORGST-UHFFFAOYSA-N 1 0 416.367 3.615 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCCC[N@H+]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000479969279 999668463 /nfs/dbraw/zinc/66/84/63/999668463.db2.gz XHWRPZKRLFUCQY-KRWDZBQOSA-N 1 0 417.579 3.587 20 30 HHEDRO N#Cc1c(C#N)c2c(nc1NCC1([NH+]3CCCCC3)CCOCC1)CCCCCC2 ZINC000479984393 999674036 /nfs/dbraw/zinc/67/40/36/999674036.db2.gz GEJACJLCGGOJCK-UHFFFAOYSA-N 1 0 407.562 3.931 20 30 HHEDRO Cn1cc(C[NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479993730 999678579 /nfs/dbraw/zinc/67/85/79/999678579.db2.gz WIKMHAJETDTLEG-UHFFFAOYSA-N 1 0 422.492 3.896 20 30 HHEDRO N#Cc1c(C#N)c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc2c1CCCCCC2 ZINC000480085670 999713292 /nfs/dbraw/zinc/71/32/92/999713292.db2.gz YBQLZAYEJDPQIT-DHIUTWEWSA-N 1 0 407.562 3.664 20 30 HHEDRO N#Cc1c(C#N)c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc2c1CCCCCC2 ZINC000480085676 999713344 /nfs/dbraw/zinc/71/33/44/999713344.db2.gz YBQLZAYEJDPQIT-XZOQPEGZSA-N 1 0 407.562 3.664 20 30 HHEDRO C=CCCCS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000489443900 999768858 /nfs/dbraw/zinc/76/88/58/999768858.db2.gz XBJOPNFBRCZDEN-SJLPKXTDSA-N 1 0 404.498 3.974 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NC2CC[NH+](C(C)(C)C)CC2)nnc1-c1ccco1 ZINC000480525126 999818423 /nfs/dbraw/zinc/81/84/23/999818423.db2.gz MJZADWVUSGHJLH-UHFFFAOYSA-N 1 0 417.579 3.585 20 30 HHEDRO CCNC(=O)Nc1ccc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000490289203 999929454 /nfs/dbraw/zinc/92/94/54/999929454.db2.gz GFNHZFHUWYBDAW-UHFFFAOYSA-N 1 0 422.533 3.604 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000490370690 999946389 /nfs/dbraw/zinc/94/63/89/999946389.db2.gz NAEPVRUYXOOSOI-INIZCTEOSA-N 1 0 424.932 3.698 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000491074097 1000042450 /nfs/dbraw/zinc/04/24/50/1000042450.db2.gz DCZIOYVUADKYCG-HXUWFJFHSA-N 1 0 401.507 3.598 20 30 HHEDRO Cc1ccc(C(=O)NC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)s1 ZINC000491145847 1000049999 /nfs/dbraw/zinc/04/99/99/1000049999.db2.gz NJCRTSWSIAQNIA-UHFFFAOYSA-N 1 0 419.554 3.723 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000491571081 1000084486 /nfs/dbraw/zinc/08/44/86/1000084486.db2.gz ZUUYWXAMFNBVSJ-FPOVZHCZSA-N 1 0 419.550 3.694 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000492211011 1000115541 /nfs/dbraw/zinc/11/55/41/1000115541.db2.gz PJAAANQHHIUKLU-FXAWDEMLSA-N 1 0 406.486 3.917 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000494026801 1000273981 /nfs/dbraw/zinc/27/39/81/1000273981.db2.gz KCLDKAMVBWFEOJ-UXPWSPDFSA-N 1 0 416.591 3.828 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504896638 1000434514 /nfs/dbraw/zinc/43/45/14/1000434514.db2.gz UOCBDVGYNKBTFY-QFIPXVFZSA-N 1 0 408.571 3.755 20 30 HHEDRO C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000504913611 1000445101 /nfs/dbraw/zinc/44/51/01/1000445101.db2.gz GOODONAPKOAWQS-SFHVURJKSA-N 1 0 408.571 3.537 20 30 HHEDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494812983 1000671945 /nfs/dbraw/zinc/67/19/45/1000671945.db2.gz ZUURTDWPOHXZJS-OALUTQOASA-N 1 0 412.578 3.867 20 30 HHEDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494812986 1000672163 /nfs/dbraw/zinc/67/21/63/1000672163.db2.gz ZUURTDWPOHXZJS-RBUKOAKNSA-N 1 0 412.578 3.867 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c(OC)c1 ZINC000505287567 1000673177 /nfs/dbraw/zinc/67/31/77/1000673177.db2.gz MRPOANZPANEZJS-LJQANCHMSA-N 1 0 415.534 3.549 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)C[C@H](C)O1 ZINC000505325468 1000702871 /nfs/dbraw/zinc/70/28/71/1000702871.db2.gz IITWTTACLODLBX-ROUUACIJSA-N 1 0 423.532 3.901 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C[C@@H](C)O1 ZINC000505344463 1000714568 /nfs/dbraw/zinc/71/45/68/1000714568.db2.gz OTRQGKQKUWEEFX-QZTJIDSGSA-N 1 0 421.516 3.655 20 30 HHEDRO C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505634012 1000945912 /nfs/dbraw/zinc/94/59/12/1000945912.db2.gz QHNBXCKLDYRTRQ-NTKDMRAZSA-N 1 0 406.530 3.521 20 30 HHEDRO C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505634013 1000946147 /nfs/dbraw/zinc/94/61/47/1000946147.db2.gz QHNBXCKLDYRTRQ-YADARESESA-N 1 0 406.530 3.521 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000505774504 1001016495 /nfs/dbraw/zinc/01/64/95/1001016495.db2.gz XCSAOMZDUAAXKL-UHFFFAOYSA-N 1 0 400.866 3.536 20 30 HHEDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000495450492 1001016854 /nfs/dbraw/zinc/01/68/54/1001016854.db2.gz QMALMSXCCNTFDP-ZWKOTPCHSA-N 1 0 403.592 3.946 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4ccnn4C)C3)sc2C1 ZINC000505848811 1001059420 /nfs/dbraw/zinc/05/94/20/1001059420.db2.gz ZTYFLCASZGDHHS-HZPDHXFCSA-N 1 0 411.575 3.686 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)C(C)C ZINC000496011989 1001110768 /nfs/dbraw/zinc/11/07/68/1001110768.db2.gz AAKPBQSQJHBELX-DHIUTWEWSA-N 1 0 411.590 3.662 20 30 HHEDRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000506052769 1001193779 /nfs/dbraw/zinc/19/37/79/1001193779.db2.gz YNUYYQAKYGZYFY-UHFFFAOYSA-N 1 0 420.513 3.902 20 30 HHEDRO CCOC(=O)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000506123375 1001234394 /nfs/dbraw/zinc/23/43/94/1001234394.db2.gz USNFAAFHERVHJY-OAHLLOKOSA-N 1 0 417.575 3.738 20 30 HHEDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nn1-c1cccc(C#N)c1 ZINC000506203223 1001276850 /nfs/dbraw/zinc/27/68/50/1001276850.db2.gz CAUKPYLNGSLXNJ-NRFANRHFSA-N 1 0 405.546 3.781 20 30 HHEDRO Cc1nc(COc2ccc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cc2)no1 ZINC000506270346 1001319969 /nfs/dbraw/zinc/31/99/69/1001319969.db2.gz CEZFPKVRTPAQCE-UHFFFAOYSA-N 1 0 417.513 3.537 20 30 HHEDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](c2ccccc2)C1 ZINC000497400452 1001339136 /nfs/dbraw/zinc/33/91/36/1001339136.db2.gz HSTWYGNWXKELOS-FGZHOGPDSA-N 1 0 401.466 3.558 20 30 HHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000497402448 1001340660 /nfs/dbraw/zinc/34/06/60/1001340660.db2.gz CQJPTXFSIVQSHG-BJKOFHAPSA-N 1 0 411.505 3.965 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1C(F)(F)F ZINC000497569219 1001439709 /nfs/dbraw/zinc/43/97/09/1001439709.db2.gz GJKLWASZCFCKBC-UHFFFAOYSA-N 1 0 415.481 3.510 20 30 HHEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000506757283 1001515658 /nfs/dbraw/zinc/51/56/58/1001515658.db2.gz FKBNFHKDGUXUKM-KRWDZBQOSA-N 1 0 400.542 3.540 20 30 HHEDRO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000497883689 1001549346 /nfs/dbraw/zinc/54/93/46/1001549346.db2.gz MMLFCHCVMZJPAJ-OAHLLOKOSA-N 1 0 403.885 3.708 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000497983437 1001590506 /nfs/dbraw/zinc/59/05/06/1001590506.db2.gz MYDZMPSXQMJJDL-UHFFFAOYSA-N 1 0 422.598 3.857 20 30 HHEDRO CCOC(=O)c1c(C)csc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000506990672 1001750801 /nfs/dbraw/zinc/75/08/01/1001750801.db2.gz QYOQIVNRUVWDLO-UHFFFAOYSA-N 1 0 414.531 3.701 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000498373722 1001804973 /nfs/dbraw/zinc/80/49/73/1001804973.db2.gz OYRLBYWDKGYQKX-YLJYHZDGSA-N 1 0 407.562 3.931 20 30 HHEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1OCC(=O)N1CCCC1 ZINC000507144619 1001835918 /nfs/dbraw/zinc/83/59/18/1001835918.db2.gz QBUYWIBWMRAQAR-UHFFFAOYSA-N 1 0 421.541 3.979 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000507180481 1001867878 /nfs/dbraw/zinc/86/78/78/1001867878.db2.gz LKXJXZDJRGQJAY-IBGZPJMESA-N 1 0 400.567 3.866 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000507180482 1001868098 /nfs/dbraw/zinc/86/80/98/1001868098.db2.gz LKXJXZDJRGQJAY-LJQANCHMSA-N 1 0 400.567 3.866 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)NC3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000498526745 1001947702 /nfs/dbraw/zinc/94/77/02/1001947702.db2.gz BNCKHBUOGKTQDJ-GOTSBHOMSA-N 1 0 416.525 3.833 20 30 HHEDRO C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(C#N)c1 ZINC000507286929 1001971001 /nfs/dbraw/zinc/97/10/01/1001971001.db2.gz WDNLSCBZXCJBBV-HYBUGGRVSA-N 1 0 417.553 3.707 20 30 HHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)c(OCC)c2)CC1 ZINC000507609846 1002215418 /nfs/dbraw/zinc/21/54/18/1002215418.db2.gz GJTHCHJYCRGZFM-UHFFFAOYSA-N 1 0 421.545 3.540 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498906223 1002299948 /nfs/dbraw/zinc/29/99/48/1002299948.db2.gz GNSZEUOBKXYBOS-TZIWHRDSSA-N 1 0 411.546 3.913 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3nnc(C4CC4)[nH]3)C1)CCCC2 ZINC000498910071 1002303586 /nfs/dbraw/zinc/30/35/86/1002303586.db2.gz BUXFPAGJEPRJHX-HNNXBMFYSA-N 1 0 424.574 3.702 20 30 HHEDRO CCOc1c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(C)nn1CC(C)C ZINC000507768087 1002334176 /nfs/dbraw/zinc/33/41/76/1002334176.db2.gz SVNFCRWMWJNVGQ-UHFFFAOYSA-N 1 0 411.550 3.993 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000508002096 1002530744 /nfs/dbraw/zinc/53/07/44/1002530744.db2.gz XXJNUWDGZYWTGJ-UHFFFAOYSA-N 1 0 400.486 3.552 20 30 HHEDRO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000508461990 1002947687 /nfs/dbraw/zinc/94/76/87/1002947687.db2.gz RETSRUCAAWXFSX-UHFFFAOYSA-N 1 0 420.561 3.615 20 30 HHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000508480280 1002964281 /nfs/dbraw/zinc/96/42/81/1002964281.db2.gz FCQJMGGKOUUERS-UHFFFAOYSA-N 1 0 414.642 3.582 20 30 HHEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508495956 1002979128 /nfs/dbraw/zinc/97/91/28/1002979128.db2.gz BKOIGNPSGSZTCS-UHFFFAOYSA-N 1 0 410.385 3.922 20 30 HHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508497090 1002979661 /nfs/dbraw/zinc/97/96/61/1002979661.db2.gz IXIQEZKFAYHCGT-GOSISDBHSA-N 1 0 407.518 3.924 20 30 HHEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508741114 1003178658 /nfs/dbraw/zinc/17/86/58/1003178658.db2.gz UWVQQDQSTLIYNC-HXUWFJFHSA-N 1 0 409.578 3.918 20 30 HHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508788435 1003217662 /nfs/dbraw/zinc/21/76/62/1003217662.db2.gz CNXSRSNGUUBUNV-INIZCTEOSA-N 1 0 401.942 3.790 20 30 HHEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508792152 1003220580 /nfs/dbraw/zinc/22/05/80/1003220580.db2.gz DLACFTNMOZRLDM-FCHUYYIVSA-N 1 0 416.573 3.961 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508796711 1003225268 /nfs/dbraw/zinc/22/52/68/1003225268.db2.gz XMPWXQMJJXYARJ-GOSISDBHSA-N 1 0 413.591 3.830 20 30 HHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508815453 1003240036 /nfs/dbraw/zinc/24/00/36/1003240036.db2.gz ASQVYKFUFTYRDM-OAQYLSRUSA-N 1 0 404.562 3.951 20 30 HHEDRO C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508832992 1003254689 /nfs/dbraw/zinc/25/46/89/1003254689.db2.gz NKYLWANMMOVVJW-LJQANCHMSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508861718 1003281622 /nfs/dbraw/zinc/28/16/22/1003281622.db2.gz BNLLSOAPGIFVCB-FXAWDEMLSA-N 1 0 411.525 3.635 20 30 HHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508886756 1003312329 /nfs/dbraw/zinc/31/23/29/1003312329.db2.gz DSVZRWQZEYKXQT-QFIPXVFZSA-N 1 0 412.541 3.961 20 30 HHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508939400 1003388767 /nfs/dbraw/zinc/38/87/67/1003388767.db2.gz SHVFWJQJMUZCJF-NRFANRHFSA-N 1 0 407.562 3.808 20 30 HHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508949970 1003404655 /nfs/dbraw/zinc/40/46/55/1003404655.db2.gz JPEARZNKLFEZBK-QZTJIDSGSA-N 1 0 413.566 3.667 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508989096 1003460926 /nfs/dbraw/zinc/46/09/26/1003460926.db2.gz ZDHWTOMSXMUIEF-IBGZPJMESA-N 1 0 410.566 3.501 20 30 HHEDRO C=CCn1c(N2CC[C@@H](C[NH+](CC)CC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000508998230 1003469406 /nfs/dbraw/zinc/46/94/06/1003469406.db2.gz MDQYFKICWVPPAL-KRWDZBQOSA-N 1 0 405.493 3.761 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000509010346 1003481486 /nfs/dbraw/zinc/48/14/86/1003481486.db2.gz INFAPFSWPYLTLF-UHFFFAOYSA-N 1 0 401.580 3.732 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000500123881 1003486393 /nfs/dbraw/zinc/48/63/93/1003486393.db2.gz LTUZECOKCOSFBF-UHFFFAOYSA-N 1 0 423.536 3.571 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509105416 1003556430 /nfs/dbraw/zinc/55/64/30/1003556430.db2.gz DMKANLSYFALNCQ-HXUWFJFHSA-N 1 0 403.404 3.960 20 30 HHEDRO CSc1cccc(F)c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000509363360 1003792552 /nfs/dbraw/zinc/79/25/52/1003792552.db2.gz GANYVKGPXZZAFF-UHFFFAOYSA-N 1 0 400.523 3.693 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511847255 1003825494 /nfs/dbraw/zinc/82/54/94/1003825494.db2.gz PXJCSDXOGAHLJY-DNVCBOLYSA-N 1 0 417.431 3.735 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)s1 ZINC000509402306 1003834613 /nfs/dbraw/zinc/83/46/13/1003834613.db2.gz WDYZVIJGTNHTFV-UHFFFAOYSA-N 1 0 405.321 3.628 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500648973 1003862673 /nfs/dbraw/zinc/86/26/73/1003862673.db2.gz GDUCAQVIHMBHNJ-DYESRHJHSA-N 1 0 415.534 3.685 20 30 HHEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000509620292 1003986049 /nfs/dbraw/zinc/98/60/49/1003986049.db2.gz TZWUAJIFUPXSHQ-HXUWFJFHSA-N 1 0 423.941 3.853 20 30 HHEDRO C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000500897296 1004036929 /nfs/dbraw/zinc/03/69/29/1004036929.db2.gz XECQZWYPRRAKNW-VCQPGSONSA-N 1 0 421.545 3.634 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000512199818 1004099710 /nfs/dbraw/zinc/09/97/10/1004099710.db2.gz DUXLMMDCGKRHKK-IBGZPJMESA-N 1 0 406.313 3.953 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512231362 1004131464 /nfs/dbraw/zinc/13/14/64/1004131464.db2.gz YJVJXTGNWRXGEL-UTKZUKDTSA-N 1 0 411.594 3.979 20 30 HHEDRO CCC[C@]1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCOC1 ZINC000512261908 1004163523 /nfs/dbraw/zinc/16/35/23/1004163523.db2.gz ORVYNEPRGCQENU-QHCPKHFHSA-N 1 0 412.509 3.651 20 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CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)cc1 ZINC000513328443 1004914045 /nfs/dbraw/zinc/91/40/45/1004914045.db2.gz YGTMRRHYXFLQJW-DEOSSOPVSA-N 1 0 420.557 3.560 20 30 HHEDRO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000510950556 1004950113 /nfs/dbraw/zinc/95/01/13/1004950113.db2.gz LIQLFRMGGYDRFO-HNNXBMFYSA-N 1 0 422.369 3.717 20 30 HHEDRO C=CCn1c(SCC(=O)NC2CC[NH+](C(C)C)CC2)nnc1-c1cccc(C)c1 ZINC000511014662 1004980318 /nfs/dbraw/zinc/98/03/18/1004980318.db2.gz NECDIKGNIXMVNW-UHFFFAOYSA-N 1 0 413.591 3.521 20 30 HHEDRO C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000502294845 1004998250 /nfs/dbraw/zinc/99/82/50/1004998250.db2.gz QBPFJOODASRDCQ-IBGZPJMESA-N 1 0 400.526 3.804 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1C#N ZINC000513575108 1005031444 /nfs/dbraw/zinc/03/14/44/1005031444.db2.gz UJHMUXVHCXEIAC-GOSISDBHSA-N 1 0 406.555 3.947 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000511246746 1005089370 /nfs/dbraw/zinc/08/93/70/1005089370.db2.gz DXHLZAUNVKIHNF-FXAWDEMLSA-N 1 0 415.578 3.885 20 30 HHEDRO N#Cc1ccc(C2=CC[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000502493186 1005090795 /nfs/dbraw/zinc/09/07/95/1005090795.db2.gz CFLXKPGEFTYJTJ-UHFFFAOYSA-N 1 0 404.426 3.554 20 30 HHEDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000513713606 1005093180 /nfs/dbraw/zinc/09/31/80/1005093180.db2.gz QMUQCVSMIJQRDN-QHGAOEGBSA-N 1 0 417.509 3.913 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000511257337 1005095326 /nfs/dbraw/zinc/09/53/26/1005095326.db2.gz DCZIGFJJZPDFBJ-HXUWFJFHSA-N 1 0 403.592 3.681 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511259723 1005096023 /nfs/dbraw/zinc/09/60/23/1005096023.db2.gz QLOKXGSZKBRQMY-KDURUIRLSA-N 1 0 412.578 3.868 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502509596 1005096470 /nfs/dbraw/zinc/09/64/70/1005096470.db2.gz WDDKFPOEXGRUFY-QHCPKHFHSA-N 1 0 404.510 3.824 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000513724891 1005097481 /nfs/dbraw/zinc/09/74/81/1005097481.db2.gz KAZRGHMHFREUCR-HXOBKFHXSA-N 1 0 413.541 3.534 20 30 HHEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000502538796 1005108808 /nfs/dbraw/zinc/10/88/08/1005108808.db2.gz CPUKMFLOYLNLAV-UHFFFAOYSA-N 1 0 409.555 3.615 20 30 HHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000502676734 1005174983 /nfs/dbraw/zinc/17/49/83/1005174983.db2.gz CYSIEUNCVIGLGY-UHFFFAOYSA-N 1 0 413.566 3.551 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000511507075 1005204809 /nfs/dbraw/zinc/20/48/09/1005204809.db2.gz QUXFEJKRPITHQF-NHCUHLMSSA-N 1 0 403.486 3.559 20 30 HHEDRO N#Cc1ccnc(N2CC[NH+](CCCCOc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000511613661 1005244813 /nfs/dbraw/zinc/24/48/13/1005244813.db2.gz PJUNFCOETVHWBZ-UHFFFAOYSA-N 1 0 404.436 3.953 20 30 HHEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000514103276 1005266361 /nfs/dbraw/zinc/26/63/61/1005266361.db2.gz BAJDGGKLDMBIJO-SFHVURJKSA-N 1 0 418.541 3.535 20 30 HHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1 ZINC000502914659 1005272578 /nfs/dbraw/zinc/27/25/78/1005272578.db2.gz XTKKGVWYFVFXAF-UHFFFAOYSA-N 1 0 401.514 3.824 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000511717688 1005290617 /nfs/dbraw/zinc/29/06/17/1005290617.db2.gz ZDZCLHHSOYJHJB-VQIMIIECSA-N 1 0 424.932 3.567 20 30 HHEDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)nn1-c1cccc(C#N)c1 ZINC000502998276 1005309684 /nfs/dbraw/zinc/30/96/84/1005309684.db2.gz KMHANPVGTJFTJN-UHFFFAOYSA-N 1 0 417.538 3.854 20 30 HHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511773696 1005319266 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KEPMBGRCKQEZQW-HXUWFJFHSA-N 1 0 414.619 3.945 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503434095 1005419326 /nfs/dbraw/zinc/41/93/26/1005419326.db2.gz YXBBOMHSEFMLIZ-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC000503511193 1005440791 /nfs/dbraw/zinc/44/07/91/1005440791.db2.gz YEHPDOSZAWAVEF-YQQQUEKLSA-N 1 0 415.946 3.686 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000503900471 1005507543 /nfs/dbraw/zinc/50/75/43/1005507543.db2.gz JBMWWOHAHXWWGM-UHFFFAOYSA-N 1 0 400.526 3.630 20 30 HHEDRO COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000503911848 1005510567 /nfs/dbraw/zinc/51/05/67/1005510567.db2.gz QSUWTMXZZUGANH-GOSISDBHSA-N 1 0 422.529 3.554 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000504429775 1005626723 /nfs/dbraw/zinc/62/67/23/1005626723.db2.gz XCLXCZOKTPRZQB-UHFFFAOYSA-N 1 0 422.529 3.581 20 30 HHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)N3CCC(C)(C#N)CC3)cc2)C[C@H]1C ZINC000504444109 1005630801 /nfs/dbraw/zinc/63/08/01/1005630801.db2.gz TTZNUHWBPRKJRV-BGYRXZFFSA-N 1 0 412.578 3.531 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000514546035 1006030956 /nfs/dbraw/zinc/03/09/56/1006030956.db2.gz KALPCNYQFLQZKT-NRFANRHFSA-N 1 0 406.530 3.626 20 30 HHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000531207621 1006047258 /nfs/dbraw/zinc/04/72/58/1006047258.db2.gz CVFNRTDCYXTKPG-SFHVURJKSA-N 1 0 413.319 3.750 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)NCCc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000514623321 1006056384 /nfs/dbraw/zinc/05/63/84/1006056384.db2.gz FFXUKASVJUMXFM-JOCHJYFZSA-N 1 0 406.530 3.636 20 30 HHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000534098520 1006070528 /nfs/dbraw/zinc/07/05/28/1006070528.db2.gz NVHJBSXTQMGZNJ-UHFFFAOYSA-N 1 0 410.909 3.556 20 30 HHEDRO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000534100786 1006073564 /nfs/dbraw/zinc/07/35/64/1006073564.db2.gz PUAOONBNMZJTEQ-QFIPXVFZSA-N 1 0 416.529 3.725 20 30 HHEDRO N#C[C@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCc2ccccc2C1 ZINC000514879642 1006181011 /nfs/dbraw/zinc/18/10/11/1006181011.db2.gz AKEVZYBQZWZNCQ-GGAORHGYSA-N 1 0 409.480 3.711 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443964 1006200365 /nfs/dbraw/zinc/20/03/65/1006200365.db2.gz YPBZQDAYYBENDF-IAGOWNOFSA-N 1 0 410.474 3.898 20 30 HHEDRO COc1cccc(C2(CNC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000515050109 1006267341 /nfs/dbraw/zinc/26/73/41/1006267341.db2.gz CKPLSYCAIWTXPG-UHFFFAOYSA-N 1 0 418.541 3.516 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1C#N ZINC000515168909 1006322670 /nfs/dbraw/zinc/32/26/70/1006322670.db2.gz JETIJGWIJOXFTN-XMSQKQJNSA-N 1 0 423.536 3.602 20 30 HHEDRO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000531648761 1006329350 /nfs/dbraw/zinc/32/93/50/1006329350.db2.gz KMIFNCQXCRIAMZ-IBGZPJMESA-N 1 0 424.976 3.939 20 30 HHEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000531715617 1006374750 /nfs/dbraw/zinc/37/47/50/1006374750.db2.gz SKLNHESNOBVBTH-QFBILLFUSA-N 1 0 410.493 3.682 20 30 HHEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)ccc1=O ZINC000534492075 1006490025 /nfs/dbraw/zinc/49/00/25/1006490025.db2.gz KHEFUGZOBCKKKN-UHFFFAOYSA-N 1 0 418.522 3.685 20 30 HHEDRO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000534565607 1006555477 /nfs/dbraw/zinc/55/54/77/1006555477.db2.gz ZTAALNAVFJHBMF-UHFFFAOYSA-N 1 0 401.514 3.769 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000534594364 1006576768 /nfs/dbraw/zinc/57/67/68/1006576768.db2.gz IQSZRGALLYXMPU-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(C#N)c(C)c1C ZINC000515717333 1006615240 /nfs/dbraw/zinc/61/52/40/1006615240.db2.gz BTMROISBAKYISU-GOSISDBHSA-N 1 0 414.600 3.985 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000515735626 1006630193 /nfs/dbraw/zinc/63/01/93/1006630193.db2.gz DFVZSZFHFQZOBA-QGZVFWFLSA-N 1 0 421.379 3.676 20 30 HHEDRO C=C[C@@H](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000534660788 1006638082 /nfs/dbraw/zinc/63/80/82/1006638082.db2.gz KRTJFZBTKAQGDL-NRFANRHFSA-N 1 0 411.590 3.577 20 30 HHEDRO CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000538373036 1006643823 /nfs/dbraw/zinc/64/38/23/1006643823.db2.gz VKCPBHWLIDSFPE-VGSWGCGISA-N 1 0 412.509 3.547 20 30 HHEDRO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000538373029 1006644014 /nfs/dbraw/zinc/64/40/14/1006644014.db2.gz VKCPBHWLIDSFPE-HTAPYJJXSA-N 1 0 412.509 3.547 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000515759252 1006648878 /nfs/dbraw/zinc/64/88/78/1006648878.db2.gz FEONXWKUZCLQCD-GASCZTMLSA-N 1 0 417.497 3.613 20 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ZINC000534795221 1006798340 /nfs/dbraw/zinc/79/83/40/1006798340.db2.gz IAKWCQUTGKBPOM-UHFFFAOYSA-N 1 0 400.335 3.763 20 30 HHEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(OCc3cccc(C#N)c3)c1)CC2 ZINC000538719371 1006993676 /nfs/dbraw/zinc/99/36/76/1006993676.db2.gz FYXALILGYQYADM-ZEQRLZLVSA-N 1 0 406.526 3.889 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CCNc2cccc(C)n2)cc1OC ZINC000532867100 1007255474 /nfs/dbraw/zinc/25/54/74/1007255474.db2.gz VWSXCMLIGQKSSU-UHFFFAOYSA-N 1 0 406.324 3.928 20 30 HHEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532916736 1007288643 /nfs/dbraw/zinc/28/86/43/1007288643.db2.gz YWQGBHTWKQZNPH-OAHLLOKOSA-N 1 0 408.893 3.814 20 30 HHEDRO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000532922899 1007295070 /nfs/dbraw/zinc/29/50/70/1007295070.db2.gz BPSVJPWMPJSPQG-SFHVURJKSA-N 1 0 402.608 3.931 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532963738 1007331236 /nfs/dbraw/zinc/33/12/36/1007331236.db2.gz LSQHCYHQIDYJCS-UHFFFAOYSA-N 1 0 417.469 3.876 20 30 HHEDRO COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1OCCCC#N ZINC000532993921 1007364101 /nfs/dbraw/zinc/36/41/01/1007364101.db2.gz LYCQBTTZWMPHDI-FQEVSTJZSA-N 1 0 409.534 3.525 20 30 HHEDRO COC(=O)CCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000533023048 1007383287 /nfs/dbraw/zinc/38/32/87/1007383287.db2.gz LXAJIOQVVRTOHE-OAHLLOKOSA-N 1 0 417.575 3.738 20 30 HHEDRO COC(=O)CCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000533023047 1007383558 /nfs/dbraw/zinc/38/35/58/1007383558.db2.gz LXAJIOQVVRTOHE-HNNXBMFYSA-N 1 0 417.575 3.738 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000533042704 1007402843 /nfs/dbraw/zinc/40/28/43/1007402843.db2.gz JAWLMTCFSKRLJG-WOJBJXKFSA-N 1 0 400.567 3.642 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000533053860 1007418089 /nfs/dbraw/zinc/41/80/89/1007418089.db2.gz KZXPEPXTPKPRBX-LVCYWYKZSA-N 1 0 421.507 3.510 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000535397611 1007464191 /nfs/dbraw/zinc/46/41/91/1007464191.db2.gz FGKVLVMKQKNNKI-IRLDBZIGSA-N 1 0 409.530 3.677 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000539228510 1007520526 /nfs/dbraw/zinc/52/05/26/1007520526.db2.gz FWWUWOGDYKSVAX-ROUUACIJSA-N 1 0 424.520 3.666 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000539231195 1007524498 /nfs/dbraw/zinc/52/44/98/1007524498.db2.gz QBWXOWYVCGLXHB-GOSISDBHSA-N 1 0 412.493 3.778 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000539233886 1007528126 /nfs/dbraw/zinc/52/81/26/1007528126.db2.gz OXASWEWYKNAPRN-GOSISDBHSA-N 1 0 412.493 3.778 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535465551 1007529129 /nfs/dbraw/zinc/52/91/29/1007529129.db2.gz ANYBOZFCWWDYOR-KKSFZXQISA-N 1 0 403.548 3.539 20 30 HHEDRO C[C@@H](C(=O)N1CCSc2ccccc21)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000533220560 1007544589 /nfs/dbraw/zinc/54/45/89/1007544589.db2.gz OXKQSMMGKLSGSY-IBGZPJMESA-N 1 0 420.582 3.593 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000517304362 1007552884 /nfs/dbraw/zinc/55/28/84/1007552884.db2.gz GNOGZVBETHYZAM-LJQANCHMSA-N 1 0 424.372 3.755 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000539259273 1007553942 /nfs/dbraw/zinc/55/39/42/1007553942.db2.gz BPOUFGLVQLUUJB-RBUKOAKNSA-N 1 0 417.513 3.867 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1C#N ZINC000535508564 1007564448 /nfs/dbraw/zinc/56/44/48/1007564448.db2.gz ZIVMBOSXHTZRFP-UHFFFAOYSA-N 1 0 412.497 3.689 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000533259873 1007576526 /nfs/dbraw/zinc/57/65/26/1007576526.db2.gz MAKXZTKEOCQMHL-ROUUACIJSA-N 1 0 414.619 3.879 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000517341901 1007581577 /nfs/dbraw/zinc/58/15/77/1007581577.db2.gz NMMKMMMSTXVSDH-UHFFFAOYSA-N 1 0 410.331 3.913 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535544655 1007584692 /nfs/dbraw/zinc/58/46/92/1007584692.db2.gz ZUCNMEJSJKWKSZ-INIZCTEOSA-N 1 0 418.501 3.547 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cc(Br)ccc2OC)CC1 ZINC000533278879 1007591249 /nfs/dbraw/zinc/59/12/49/1007591249.db2.gz XPTVDQCRVGRGPI-UHFFFAOYSA-N 1 0 410.356 3.640 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000533285004 1007598021 /nfs/dbraw/zinc/59/80/21/1007598021.db2.gz LUGRQEVCPOLFBY-GOSISDBHSA-N 1 0 422.573 3.979 20 30 HHEDRO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000533290195 1007603131 /nfs/dbraw/zinc/60/31/31/1007603131.db2.gz SQDVDHQXYDWOPY-GOSISDBHSA-N 1 0 416.443 3.671 20 30 HHEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000539350121 1007651593 /nfs/dbraw/zinc/65/15/93/1007651593.db2.gz GBVHXGGVGGHJLR-UHFFFAOYSA-N 1 0 403.404 3.805 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000539360712 1007662311 /nfs/dbraw/zinc/66/23/11/1007662311.db2.gz PZNAKSSOFGYMFW-HSZRJFAPSA-N 1 0 411.590 3.971 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000535679059 1007706421 /nfs/dbraw/zinc/70/64/21/1007706421.db2.gz FSVGQBQFKZUUPU-MRXNPFEDSA-N 1 0 413.547 3.738 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1cccc(Br)c1)Cc1ccc(C#N)cc1 ZINC000533402551 1007713209 /nfs/dbraw/zinc/71/32/09/1007713209.db2.gz ZSYVMBPBSMLKAJ-UHFFFAOYSA-N 1 0 416.319 3.798 20 30 HHEDRO C[N@H+](CCCC(=O)OC(C)(C)C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533428567 1007738693 /nfs/dbraw/zinc/73/86/93/1007738693.db2.gz ZLQAUVNNSMCXAJ-UHFFFAOYSA-N 1 0 405.564 3.881 20 30 HHEDRO CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000533436234 1007749399 /nfs/dbraw/zinc/74/93/99/1007749399.db2.gz GVTPRBGONIBNJG-OALUTQOASA-N 1 0 412.578 3.868 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000539491577 1007803381 /nfs/dbraw/zinc/80/33/81/1007803381.db2.gz QUFFHVBQYUOHBZ-OALUTQOASA-N 1 0 416.978 3.851 20 30 HHEDRO Cc1cc(F)ccc1N(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(C#N)c1 ZINC000533521743 1007842173 /nfs/dbraw/zinc/84/21/73/1007842173.db2.gz OJHWYEOSCMANGK-UHFFFAOYSA-N 1 0 420.532 3.755 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000535882519 1007901544 /nfs/dbraw/zinc/90/15/44/1007901544.db2.gz IQOIFZSMVBGQDH-UHFFFAOYSA-N 1 0 406.246 3.775 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000517699215 1007912359 /nfs/dbraw/zinc/91/23/59/1007912359.db2.gz KSHHMFSLGFSMHD-DEOSSOPVSA-N 1 0 421.541 3.753 20 30 HHEDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000517699697 1007913132 /nfs/dbraw/zinc/91/31/32/1007913132.db2.gz VLJZXXDDFDRTEO-UHFFFAOYSA-N 1 0 402.538 3.851 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)cc1OC ZINC000539610058 1007926704 /nfs/dbraw/zinc/92/67/04/1007926704.db2.gz OJOFPCISJODYRZ-OAHLLOKOSA-N 1 0 411.477 3.670 20 30 HHEDRO Cc1cccc(C)c1OCCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000517737259 1007938592 /nfs/dbraw/zinc/93/85/92/1007938592.db2.gz XPTSXGIWHFGYRX-UHFFFAOYSA-N 1 0 408.546 3.717 20 30 HHEDRO N#CC1(c2ccc(C(=O)NC3CC[NH+](CCOc4ccc(F)cc4)CC3)cc2)CC1 ZINC000539673067 1007993496 /nfs/dbraw/zinc/99/34/96/1007993496.db2.gz UHXSNIFHFXMHTM-UHFFFAOYSA-N 1 0 407.489 3.654 20 30 HHEDRO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Br ZINC000535997838 1008041431 /nfs/dbraw/zinc/04/14/31/1008041431.db2.gz BZQZVJVTIYTBLQ-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000533740442 1008066474 /nfs/dbraw/zinc/06/64/74/1008066474.db2.gz JLHBBIWXDDEHIZ-UHFFFAOYSA-N 1 0 401.898 3.954 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000517965405 1008074917 /nfs/dbraw/zinc/07/49/17/1008074917.db2.gz HCXFTFULVJIWLY-UHFFFAOYSA-N 1 0 421.545 3.911 20 30 HHEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cn2)CC1 ZINC000517985466 1008087534 /nfs/dbraw/zinc/08/75/34/1008087534.db2.gz NHCHBMMRVIMWJL-UHFFFAOYSA-N 1 0 414.575 3.749 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)cn2)CC1 ZINC000539774765 1008089614 /nfs/dbraw/zinc/08/96/14/1008089614.db2.gz YTLQQRIMUFVWAI-UHFFFAOYSA-N 1 0 413.481 3.750 20 30 HHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cc1F ZINC000518000566 1008095308 /nfs/dbraw/zinc/09/53/08/1008095308.db2.gz PTFQIUQEMGKEON-CZUORRHYSA-N 1 0 407.283 3.745 20 30 HHEDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000539831678 1008125070 /nfs/dbraw/zinc/12/50/70/1008125070.db2.gz GEKORVWBSITSSJ-LJQANCHMSA-N 1 0 407.562 3.838 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900354 1008173020 /nfs/dbraw/zinc/17/30/20/1008173020.db2.gz WYPINPFVNWUPAZ-QLBJFCOMSA-N 1 0 405.542 3.821 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000518163873 1008190783 /nfs/dbraw/zinc/19/07/83/1008190783.db2.gz OLAKOPMNIJSGEL-UHFFFAOYSA-N 1 0 421.541 3.834 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1)CC1CC1 ZINC000539953405 1008203172 /nfs/dbraw/zinc/20/31/72/1008203172.db2.gz ZXNMAYSIEHLYEE-UHFFFAOYSA-N 1 0 409.983 3.734 20 30 HHEDRO N#Cc1ccnc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000518232974 1008217656 /nfs/dbraw/zinc/21/76/56/1008217656.db2.gz CGPWSOCTPQELFQ-HSZRJFAPSA-N 1 0 411.509 3.655 20 30 HHEDRO C=CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c1 ZINC000518271933 1008234993 /nfs/dbraw/zinc/23/49/93/1008234993.db2.gz RSUPBWSVYNTSMW-UHFFFAOYSA-N 1 0 410.514 3.663 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH+]1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000540054330 1008261667 /nfs/dbraw/zinc/26/16/67/1008261667.db2.gz VGHRGIXEGHJHLA-DEOSSOPVSA-N 1 0 424.976 3.809 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000518332922 1008264847 /nfs/dbraw/zinc/26/48/47/1008264847.db2.gz KQLGMFYNSRVNLQ-OAQYLSRUSA-N 1 0 423.536 3.617 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540082007 1008277577 /nfs/dbraw/zinc/27/75/77/1008277577.db2.gz JSAVLNRMDQNELX-DHIUTWEWSA-N 1 0 403.530 3.779 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)CC1 ZINC000518496962 1008328234 /nfs/dbraw/zinc/32/82/34/1008328234.db2.gz OFSKYNPLIFCOGV-UHFFFAOYSA-N 1 0 409.530 3.830 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCSc2ncnc3sc(C)c(C)c32)CC1 ZINC000518497055 1008328594 /nfs/dbraw/zinc/32/85/94/1008328594.db2.gz UVYCZTJSHAEXRH-UHFFFAOYSA-N 1 0 404.605 3.947 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000518551830 1008345572 /nfs/dbraw/zinc/34/55/72/1008345572.db2.gz WVOOPNWBVNSJOX-CALCHBBNSA-N 1 0 411.477 3.719 20 30 HHEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCCC1 ZINC000518567054 1008348559 /nfs/dbraw/zinc/34/85/59/1008348559.db2.gz SJKGLTJKDICWHW-NRFANRHFSA-N 1 0 420.513 3.526 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c3c(cccc31)CC2)C(C)C ZINC000518593205 1008359192 /nfs/dbraw/zinc/35/91/92/1008359192.db2.gz DRFLTJZHAIIGSW-QFIPXVFZSA-N 1 0 405.542 3.692 20 30 HHEDRO C=CCOc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1OC ZINC000518652255 1008380228 /nfs/dbraw/zinc/38/02/28/1008380228.db2.gz HCRCHXGLGVPTDT-UHFFFAOYSA-N 1 0 406.526 3.923 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000540327618 1008381955 /nfs/dbraw/zinc/38/19/55/1008381955.db2.gz KAPPUWZYHJRTCA-GOSISDBHSA-N 1 0 421.522 3.657 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000540361680 1008400032 /nfs/dbraw/zinc/40/00/32/1008400032.db2.gz MWTCLYNNGPJEQA-AWEZNQCLSA-N 1 0 412.433 3.624 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccc(C(F)(F)F)cc1 ZINC000540428871 1008429522 /nfs/dbraw/zinc/42/95/22/1008429522.db2.gz ATXBNMCQXNFVNH-KRWDZBQOSA-N 1 0 409.408 3.921 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518837460 1008439833 /nfs/dbraw/zinc/43/98/33/1008439833.db2.gz VKRVZIYWXSEIIP-AZUAARDMSA-N 1 0 415.557 3.620 20 30 HHEDRO CC1(c2ccccc2)CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000540546475 1008476159 /nfs/dbraw/zinc/47/61/59/1008476159.db2.gz PDQZLBKWCQVKRV-NRFANRHFSA-N 1 0 422.598 3.511 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000519088806 1008526447 /nfs/dbraw/zinc/52/64/47/1008526447.db2.gz ROFXROYBGGXYHF-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542958520 1008531072 /nfs/dbraw/zinc/53/10/72/1008531072.db2.gz DXJCAPFIKICMCW-SFHVURJKSA-N 1 0 422.920 3.692 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)n2)c(F)c1 ZINC000542961332 1008533916 /nfs/dbraw/zinc/53/39/16/1008533916.db2.gz JUSISDRGNQJRJA-LJQANCHMSA-N 1 0 422.464 3.825 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000542961351 1008533962 /nfs/dbraw/zinc/53/39/62/1008533962.db2.gz KLPQQHZQVCJONN-UHFFFAOYSA-N 1 0 412.925 3.926 20 30 HHEDRO CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000548950930 1008536586 /nfs/dbraw/zinc/53/65/86/1008536586.db2.gz ZUCIQEFTMDMXPI-IBGZPJMESA-N 1 0 417.347 3.822 20 30 HHEDRO C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000548954486 1008539265 /nfs/dbraw/zinc/53/92/65/1008539265.db2.gz ASDOBNUMFJVTTC-OALUTQOASA-N 1 0 423.561 3.951 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549252947 1008824184 /nfs/dbraw/zinc/82/41/84/1008824184.db2.gz KYKZJGISLWJMRL-UHFFFAOYSA-N 1 0 420.561 3.760 20 30 HHEDRO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000549254150 1008825655 /nfs/dbraw/zinc/82/56/55/1008825655.db2.gz SANXNZVEMANRSU-UHFFFAOYSA-N 1 0 415.626 3.916 20 30 HHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549263195 1008833413 /nfs/dbraw/zinc/83/34/13/1008833413.db2.gz SVQBVEYGWPOEOA-RTBURBONSA-N 1 0 401.599 3.837 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000549301541 1008876765 /nfs/dbraw/zinc/87/67/65/1008876765.db2.gz BRVBLMUMDHCGON-QFIPXVFZSA-N 1 0 419.577 3.746 20 30 HHEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000549301880 1008877045 /nfs/dbraw/zinc/87/70/45/1008877045.db2.gz OTHHBICHAQTZQJ-UHFFFAOYSA-N 1 0 420.561 3.551 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000519512366 1008886366 /nfs/dbraw/zinc/88/63/66/1008886366.db2.gz DDBMCDZTEOKBBL-NRFANRHFSA-N 1 0 422.529 3.576 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543352081 1008939626 /nfs/dbraw/zinc/93/96/26/1008939626.db2.gz NMQPLVFXEZTUFM-OAQYLSRUSA-N 1 0 422.529 3.569 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1cc(C)sc1C ZINC000543440116 1009027619 /nfs/dbraw/zinc/02/76/19/1009027619.db2.gz SAWDFCKAPIKELZ-OAHLLOKOSA-N 1 0 402.564 3.981 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000549467398 1009059129 /nfs/dbraw/zinc/05/91/29/1009059129.db2.gz CMFFTRLRCQEFCG-RXYZOABWSA-N 1 0 412.484 3.977 20 30 HHEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CCN2C2CC2)c1 ZINC000549470847 1009065049 /nfs/dbraw/zinc/06/50/49/1009065049.db2.gz DXDNPHPLGYBAPV-GMAHTHKFSA-N 1 0 415.497 3.684 20 30 HHEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000549476179 1009073821 /nfs/dbraw/zinc/07/38/21/1009073821.db2.gz JVYCXENRJZWAGR-FCHUYYIVSA-N 1 0 413.468 3.937 20 30 HHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)s2)cc1 ZINC000543500855 1009089786 /nfs/dbraw/zinc/08/97/86/1009089786.db2.gz SBVFXEVQAZTNGH-SPLOXXLWSA-N 1 0 400.548 3.832 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549597905 1009225839 /nfs/dbraw/zinc/22/58/39/1009225839.db2.gz JAYDEICJNPSYSB-UHFFFAOYSA-N 1 0 405.550 3.878 20 30 HHEDRO COc1cc(-c2noc([C@@H](C)Oc3ccc(C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000546279151 1009301075 /nfs/dbraw/zinc/30/10/75/1009301075.db2.gz ILMNIYHXZQELND-OAHLLOKOSA-N 1 0 408.458 3.697 20 30 HHEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173314 1009318430 /nfs/dbraw/zinc/31/84/30/1009318430.db2.gz DILQPKPXRDMWCF-UHFFFAOYSA-N 1 0 421.541 3.836 20 30 HHEDRO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195124 1009334311 /nfs/dbraw/zinc/33/43/11/1009334311.db2.gz UTGDAJZSCMHMFE-MRXNPFEDSA-N 1 0 421.530 3.956 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000543764279 1009334468 /nfs/dbraw/zinc/33/44/68/1009334468.db2.gz RXBZRONYBDQSBQ-UHFFFAOYSA-N 1 0 418.476 3.623 20 30 HHEDRO Cc1nc([C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2F)no1 ZINC000543769359 1009340316 /nfs/dbraw/zinc/34/03/16/1009340316.db2.gz VLFLARMKNHWZOA-QFIPXVFZSA-N 1 0 405.477 3.732 20 30 HHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549734739 1009358098 /nfs/dbraw/zinc/35/80/98/1009358098.db2.gz QLFCQJLJNZRZFL-RTBURBONSA-N 1 0 401.599 3.837 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885193 1009461136 /nfs/dbraw/zinc/46/11/36/1009461136.db2.gz WPWMBHSRZPUESN-APWZRJJASA-N 1 0 418.476 3.840 20 30 HHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543890806 1009469276 /nfs/dbraw/zinc/46/92/76/1009469276.db2.gz ZCJVBNGYUXEEDC-UHFFFAOYSA-N 1 0 400.914 3.641 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000543968094 1009571710 /nfs/dbraw/zinc/57/17/10/1009571710.db2.gz UXKWKDJIFUURST-UHFFFAOYSA-N 1 0 408.428 3.590 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)CCCC2)CC1 ZINC000520787772 1009857979 /nfs/dbraw/zinc/85/79/79/1009857979.db2.gz CXCDISYNBMYOKU-UHFFFAOYSA-N 1 0 412.578 3.902 20 30 HHEDRO C[C@H](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+]1CCCCC1 ZINC000544258820 1009872137 /nfs/dbraw/zinc/87/21/37/1009872137.db2.gz IUGIIHOLVZFZES-OAHLLOKOSA-N 1 0 400.914 3.783 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000520930870 1009984776 /nfs/dbraw/zinc/98/47/76/1009984776.db2.gz NJZOWOMOWFMNEC-GOSISDBHSA-N 1 0 416.591 3.648 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCN(c4cccnc4)C3=O)c2)c1 ZINC000544364991 1009993436 /nfs/dbraw/zinc/99/34/36/1009993436.db2.gz DRJNMNLPWOOWRA-XMMPIXPASA-N 1 0 412.493 3.817 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cc1 ZINC000544514248 1010138702 /nfs/dbraw/zinc/13/87/02/1010138702.db2.gz ITLVBNGJYKXOJP-HOOSLVGPSA-N 1 0 407.514 3.875 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(Cc3ccccc3)CCCC2)CC1 ZINC000544531598 1010160432 /nfs/dbraw/zinc/16/04/32/1010160432.db2.gz WPBXJHDMMGLCRL-OAQYLSRUSA-N 1 0 422.598 3.602 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000544561088 1010189684 /nfs/dbraw/zinc/18/96/84/1010189684.db2.gz BEJXJGWYMBMYDY-GOSISDBHSA-N 1 0 424.520 3.934 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000521279304 1010274054 /nfs/dbraw/zinc/27/40/54/1010274054.db2.gz ATFBMENPEUZVEL-UHFFFAOYSA-N 1 0 422.529 3.564 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000551179367 1010421725 /nfs/dbraw/zinc/42/17/25/1010421725.db2.gz BVVMEPLOGWFQGX-QFIPXVFZSA-N 1 0 407.514 3.533 20 30 HHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)C1 ZINC000551277490 1010489467 /nfs/dbraw/zinc/48/94/67/1010489467.db2.gz LBSZXJODWRBDGZ-AWEZNQCLSA-N 1 0 418.419 3.945 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551401686 1010563691 /nfs/dbraw/zinc/56/36/91/1010563691.db2.gz MWKUXZQIVUDJPO-UHFFFAOYSA-N 1 0 419.348 3.533 20 30 HHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccccc2SCCC#N)c1 ZINC000521742831 1010587149 /nfs/dbraw/zinc/58/71/49/1010587149.db2.gz UHTSTIQFPSOOCO-UHFFFAOYSA-N 1 0 424.570 3.530 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548870756 1010748702 /nfs/dbraw/zinc/74/87/02/1010748702.db2.gz WYHSIWMSWUSDMI-UHFFFAOYSA-N 1 0 421.545 3.891 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000548883950 1010752085 /nfs/dbraw/zinc/75/20/85/1010752085.db2.gz RKKLHOFLOAYJBG-FQEVSTJZSA-N 1 0 406.505 3.517 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000548899312 1010754978 /nfs/dbraw/zinc/75/49/78/1010754978.db2.gz AXXBALWEQYULPV-UHFFFAOYSA-N 1 0 409.578 3.837 20 30 HHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)c1 ZINC000548908152 1010756739 /nfs/dbraw/zinc/75/67/39/1010756739.db2.gz AQEOKAPRQNKAAF-UHFFFAOYSA-N 1 0 424.497 3.840 20 30 HHEDRO COC1CCN(C2(C[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)CCCC2)CC1 ZINC000522213246 1010868993 /nfs/dbraw/zinc/86/89/93/1010868993.db2.gz MNAVQAMTKZDZBI-UHFFFAOYSA-N 1 0 421.589 3.977 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000522433953 1011009351 /nfs/dbraw/zinc/00/93/51/1011009351.db2.gz NXALNYJJWJNAOR-UHFFFAOYSA-N 1 0 424.520 3.520 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000522586313 1011093957 /nfs/dbraw/zinc/09/39/57/1011093957.db2.gz ILRVZFIGQQYABC-UHFFFAOYSA-N 1 0 413.905 3.845 20 30 HHEDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000540615742 1011267341 /nfs/dbraw/zinc/26/73/41/1011267341.db2.gz SQOJZDIMEMRECI-FEPNQTLGSA-N 1 0 408.498 3.978 20 30 HHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000522845745 1011285398 /nfs/dbraw/zinc/28/53/98/1011285398.db2.gz DBYDJXFLYDWIBE-JOCHJYFZSA-N 1 0 408.502 3.925 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000540979563 1011612036 /nfs/dbraw/zinc/61/20/36/1011612036.db2.gz XBSQTBCHQXWACY-GOSISDBHSA-N 1 0 424.505 3.903 20 30 HHEDRO C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541095550 1011740994 /nfs/dbraw/zinc/74/09/94/1011740994.db2.gz XFLMTVZETDUAOI-KRWDZBQOSA-N 1 0 402.502 3.866 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)Cc1ccccc1 ZINC000541104487 1011751652 /nfs/dbraw/zinc/75/16/52/1011751652.db2.gz CIGNKRHGLWGIOP-IBGZPJMESA-N 1 0 422.920 3.692 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)C1 ZINC000541105302 1011752494 /nfs/dbraw/zinc/75/24/94/1011752494.db2.gz JLPITFFTQQNHJP-YOEHRIQHSA-N 1 0 400.914 3.591 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000541117004 1011768730 /nfs/dbraw/zinc/76/87/30/1011768730.db2.gz IMHBIBROTHEGSN-RXAIFQJESA-N 1 0 403.935 3.675 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541123320 1011779800 /nfs/dbraw/zinc/77/98/00/1011779800.db2.gz MPWIXLJEXGYOCZ-UYZZBQRDSA-N 1 0 401.557 3.524 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000541141867 1011800448 /nfs/dbraw/zinc/80/04/48/1011800448.db2.gz NUOIWADLQIMZAT-QGZVFWFLSA-N 1 0 420.904 3.643 20 30 HHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000536697573 1011866895 /nfs/dbraw/zinc/86/68/95/1011866895.db2.gz NHAUNRVRFCQMJJ-GOSISDBHSA-N 1 0 411.468 3.992 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(CCCn3ccnc3)CC2)c1C ZINC000541204410 1011874687 /nfs/dbraw/zinc/87/46/87/1011874687.db2.gz ZTQDWRTXQGCIMP-UHFFFAOYSA-N 1 0 407.562 3.939 20 30 HHEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000541216177 1011888206 /nfs/dbraw/zinc/88/82/06/1011888206.db2.gz DDVBXHYFAWTDHN-PPDQVPDSSA-N 1 0 408.502 3.659 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccccc4OC(F)F)C3)CC2)cc1 ZINC000552044083 1012062601 /nfs/dbraw/zinc/06/26/01/1012062601.db2.gz PBRLFSHOPMZERH-IBGZPJMESA-N 1 0 412.484 3.997 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000523586296 1012138401 /nfs/dbraw/zinc/13/84/01/1012138401.db2.gz CBKQSRUPQLNYBT-UHFFFAOYSA-N 1 0 411.509 3.663 20 30 HHEDRO CCc1cccc2c1OCC[C@@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000523626378 1012207420 /nfs/dbraw/zinc/20/74/20/1012207420.db2.gz BLXVOJDLCGIBBU-QHCPKHFHSA-N 1 0 418.541 3.862 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OCCOC ZINC000541499741 1012279207 /nfs/dbraw/zinc/27/92/07/1012279207.db2.gz CLJHUWBCEWALGS-OALUTQOASA-N 1 0 402.539 3.606 20 30 HHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000536991784 1012293706 /nfs/dbraw/zinc/29/37/06/1012293706.db2.gz CVWQCUIKRJUHOC-UHFFFAOYSA-N 1 0 410.493 3.574 20 30 HHEDRO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](CCCOCC(F)(F)F)CC3)c2c1 ZINC000536997432 1012298318 /nfs/dbraw/zinc/29/83/18/1012298318.db2.gz VYEVCQASCNFPCW-UHFFFAOYSA-N 1 0 406.452 3.814 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)c1 ZINC000541551704 1012339888 /nfs/dbraw/zinc/33/98/88/1012339888.db2.gz RPDXBSMNUFBQRS-XMMPIXPASA-N 1 0 412.493 3.817 20 30 HHEDRO Cc1c(Br)c(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ncc1[N+](=O)[O-] ZINC000541577332 1012368414 /nfs/dbraw/zinc/36/84/14/1012368414.db2.gz RMEOGSZFLSXUNP-UHFFFAOYSA-N 1 0 418.295 3.501 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067655 1012405356 /nfs/dbraw/zinc/40/53/56/1012405356.db2.gz ZFMDZRORYLABJX-NFBKMPQASA-N 1 0 406.457 3.847 20 30 HHEDRO Cc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000552427938 1012446376 /nfs/dbraw/zinc/44/63/76/1012446376.db2.gz ZIBCPAHZTZVYBB-UHFFFAOYSA-N 1 0 408.477 3.566 20 30 HHEDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541636582 1012451657 /nfs/dbraw/zinc/45/16/57/1012451657.db2.gz ADKCIHFBRSUYPJ-RDTXWAMCSA-N 1 0 416.591 3.630 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC1 ZINC000523910645 1012628287 /nfs/dbraw/zinc/62/82/87/1012628287.db2.gz URTSEVNXMJHVOS-GDLZYMKVSA-N 1 0 411.571 3.907 20 30 HHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1ccc(C)cc1 ZINC000537221172 1012646818 /nfs/dbraw/zinc/64/68/18/1012646818.db2.gz SWLKQNMDDBLMTG-UHFFFAOYSA-N 1 0 416.529 3.957 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)n2)c(F)c1 ZINC000542000370 1012880046 /nfs/dbraw/zinc/88/00/46/1012880046.db2.gz RTMPHWHZGLRWQH-UHFFFAOYSA-N 1 0 421.501 3.684 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000542025752 1012919802 /nfs/dbraw/zinc/91/98/02/1012919802.db2.gz FIALOZMEPALPDD-KXBFYZLASA-N 1 0 424.936 3.878 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000542033184 1012930755 /nfs/dbraw/zinc/93/07/55/1012930755.db2.gz OALKCJZMLDKFOF-UHFFFAOYSA-N 1 0 412.925 3.880 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 ZINC000542034581 1012933741 /nfs/dbraw/zinc/93/37/41/1012933741.db2.gz FIQWFCSVOBORLF-UHFFFAOYSA-N 1 0 408.893 3.781 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000524151394 1012940239 /nfs/dbraw/zinc/94/02/39/1012940239.db2.gz CWIWYKDLLQUINH-UHFFFAOYSA-N 1 0 408.502 3.753 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)C2=O)cc1 ZINC000542056666 1012971241 /nfs/dbraw/zinc/97/12/41/1012971241.db2.gz CSRGZSHBKBHCBM-QZTJIDSGSA-N 1 0 417.435 3.606 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 ZINC000542059005 1012976085 /nfs/dbraw/zinc/97/60/85/1012976085.db2.gz FGQXVUHVVITWKD-UHFFFAOYSA-N 1 0 421.476 3.856 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032855 1013009816 /nfs/dbraw/zinc/00/98/16/1013009816.db2.gz BGXKIEFQMQXNMC-UGKGYDQZSA-N 1 0 420.532 3.647 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(=O)OC)c1ccsc1 ZINC000537511131 1013024114 /nfs/dbraw/zinc/02/41/14/1013024114.db2.gz JFAKNUWZBCFAID-QGZVFWFLSA-N 1 0 406.577 3.560 20 30 HHEDRO Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1CCC#N ZINC000537515840 1013029166 /nfs/dbraw/zinc/02/91/66/1013029166.db2.gz XJCVCUMGQBBHLV-HDICACEKSA-N 1 0 408.550 3.905 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)cc1 ZINC000553062417 1013035324 /nfs/dbraw/zinc/03/53/24/1013035324.db2.gz RJQMYJOVTKVCFX-MRXNPFEDSA-N 1 0 401.919 3.588 20 30 HHEDRO N#Cc1ccc(C(=O)NCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cc1 ZINC000904433340 1071761886 /nfs/dbraw/zinc/76/18/86/1071761886.db2.gz DXLYCJRJHNRISL-UHFFFAOYSA-N 1 0 401.470 3.524 20 30 HHEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C(C)(C)C)cc1 ZINC000729669152 1071783331 /nfs/dbraw/zinc/78/33/31/1071783331.db2.gz DLNSIBWBKFCMKY-AWEZNQCLSA-O 1 0 417.551 3.978 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@@H](C)c2ccccc2)[n+]2cccc(C)c2)c1 ZINC000729669472 1071783468 /nfs/dbraw/zinc/78/34/68/1071783468.db2.gz FRMCODSMNMEBBE-INIZCTEOSA-O 1 0 423.514 3.952 20 30 HHEDRO CCCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C(C)(C)C)cc1 ZINC000729668113 1071786065 /nfs/dbraw/zinc/78/60/65/1071786065.db2.gz BMDCEXBQMJIEGL-UHFFFAOYSA-O 1 0 403.524 3.590 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2ccccc2)c1 ZINC000729668168 1071786207 /nfs/dbraw/zinc/78/62/07/1071786207.db2.gz FEHDJOWTNOMOSH-UHFFFAOYSA-O 1 0 417.413 3.683 20 30 HHEDRO C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000729686085 1071823221 /nfs/dbraw/zinc/82/32/21/1071823221.db2.gz XIPLZYOWVDNQAK-CYBMUJFWSA-N 1 0 403.276 3.973 20 30 HHEDRO CCc1ccc([C@@H](CNS(=O)(=O)Cc2csc(C#N)c2)[NH+](CC)CC)cc1 ZINC001212021074 1071901370 /nfs/dbraw/zinc/90/13/70/1071901370.db2.gz JHRGICDDUJLFGQ-HXUWFJFHSA-N 1 0 405.589 3.685 20 30 HHEDRO N#Cc1cnc2c(F)ccc(F)c2c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000611540021 1072131108 /nfs/dbraw/zinc/13/11/08/1072131108.db2.gz VKNIZVDEVKJLGT-UHFFFAOYSA-N 1 0 400.473 3.713 20 30 HHEDRO CC[NH+]1CCN(c2ccc(CNc3c(C#N)cnc4c(F)cc(F)cc43)cn2)CC1 ZINC000488254609 1072170894 /nfs/dbraw/zinc/17/08/94/1072170894.db2.gz LWFMKOFPZSHBRQ-UHFFFAOYSA-N 1 0 408.456 3.534 20 30 HHEDRO COc1ccc(-c2nnc(CNC(NCCc3cccs3)=[NH+]C(C)(C)C)[nH]2)cc1 ZINC000912506480 1072243879 /nfs/dbraw/zinc/24/38/79/1072243879.db2.gz OHKIJRPTDGNGNS-UHFFFAOYSA-N 1 0 412.563 3.618 20 30 HHEDRO COc1ccc(CNC(NCc2cc(OC)c(OC)c(OC)c2)=[NH+]C(C)(C)C)cc1 ZINC000912506846 1072243956 /nfs/dbraw/zinc/24/39/56/1072243956.db2.gz DMNVHVUGMGZPFV-UHFFFAOYSA-N 1 0 415.534 3.755 20 30 HHEDRO N#CCOc1cccc(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000760387907 1072303444 /nfs/dbraw/zinc/30/34/44/1072303444.db2.gz VUOVDWVJSXGXNL-OAQYLSRUSA-N 1 0 411.933 3.956 20 30 HHEDRO C[NH+](C)CCCOc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000586776235 1072412571 /nfs/dbraw/zinc/41/25/71/1072412571.db2.gz YRGCGEMUUYXUSH-UHFFFAOYSA-N 1 0 424.520 3.883 20 30 HHEDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccs1 ZINC000554951977 1072984657 /nfs/dbraw/zinc/98/46/57/1072984657.db2.gz FUPHPPZTCNDQTN-IBGZPJMESA-N 1 0 405.951 3.998 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CCC4(CCOCC4)[C@@H]3O)c2)c1 ZINC000554939850 1072987015 /nfs/dbraw/zinc/98/70/15/1072987015.db2.gz RGLYXRQDKSYAHK-ISKFKSNPSA-N 1 0 406.526 3.795 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)cc2OCC)CC1 ZINC000555013444 1073066849 /nfs/dbraw/zinc/06/68/49/1073066849.db2.gz RALBLTUMJSPCIA-UHFFFAOYSA-N 1 0 400.292 3.759 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000572051044 1073123720 /nfs/dbraw/zinc/12/37/20/1073123720.db2.gz YAYXAZWEXJLGBM-CJMONDIMSA-N 1 0 400.885 3.713 20 30 HHEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000555129183 1073180457 /nfs/dbraw/zinc/18/04/57/1073180457.db2.gz KRCRYDMNBFAXIE-IRLDBZIGSA-N 1 0 418.532 3.763 20 30 HHEDRO COc1ccc([C@H](CNC(=O)NCc2ccc(C#N)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000555176170 1073234088 /nfs/dbraw/zinc/23/40/88/1073234088.db2.gz FBMQYEVMHQNXKG-QFIPXVFZSA-N 1 0 422.529 3.602 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(C)C)C1 ZINC000555238347 1073271176 /nfs/dbraw/zinc/27/11/76/1073271176.db2.gz NGCPOUFRDFPGNE-QFIPXVFZSA-N 1 0 422.621 3.701 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000555244390 1073287889 /nfs/dbraw/zinc/28/78/89/1073287889.db2.gz JGZBJMILASYWKV-UHFFFAOYSA-N 1 0 415.969 3.723 20 30 HHEDRO C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000555247762 1073290347 /nfs/dbraw/zinc/29/03/47/1073290347.db2.gz IDIRVJJZOAOVTQ-UHFFFAOYSA-N 1 0 413.614 3.664 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000555264047 1073295831 /nfs/dbraw/zinc/29/58/31/1073295831.db2.gz LYIHSELBXYUEKV-HNNXBMFYSA-N 1 0 421.387 3.780 20 30 HHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000555343868 1073355348 /nfs/dbraw/zinc/35/53/48/1073355348.db2.gz DIGXMTDBFYZTME-IRLDBZIGSA-N 1 0 404.562 3.926 20 30 HHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000555343869 1073355435 /nfs/dbraw/zinc/35/54/35/1073355435.db2.gz DIGXMTDBFYZTME-RBBKRZOGSA-N 1 0 404.562 3.926 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)C1 ZINC000555356686 1073368047 /nfs/dbraw/zinc/36/80/47/1073368047.db2.gz MWGAZSODTNYTQU-HXUWFJFHSA-N 1 0 410.566 3.553 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H]4C[N@H+](C)C[C@H]43)sc2C1 ZINC000590010634 1073449347 /nfs/dbraw/zinc/44/93/47/1073449347.db2.gz RFPZIQRMBSCZDI-FRQCXROJSA-N 1 0 414.619 3.735 20 30 HHEDRO N#CCc1cccc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c1 ZINC000589980344 1073458137 /nfs/dbraw/zinc/45/81/37/1073458137.db2.gz QAIGVCHPSRTFIU-UHFFFAOYSA-N 1 0 404.495 3.511 20 30 HHEDRO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000590041985 1073500467 /nfs/dbraw/zinc/50/04/67/1073500467.db2.gz KTHRUPJIELTCKO-XMMPIXPASA-N 1 0 411.509 3.655 20 30 HHEDRO N#Cc1cc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)ccn1 ZINC000590184502 1073630561 /nfs/dbraw/zinc/63/05/61/1073630561.db2.gz DWHKXDZRCWQMGP-UHFFFAOYSA-N 1 0 404.283 3.736 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000555574424 1073640900 /nfs/dbraw/zinc/64/09/00/1073640900.db2.gz MRNLOBDLLLHDPY-QFIPXVFZSA-N 1 0 406.457 3.806 20 30 HHEDRO N#Cc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cnc1C(F)(F)F ZINC000555618508 1073682932 /nfs/dbraw/zinc/68/29/32/1073682932.db2.gz QHLXBBBPOXCVAA-UHFFFAOYSA-N 1 0 406.433 3.773 20 30 HHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000590289395 1073708387 /nfs/dbraw/zinc/70/83/87/1073708387.db2.gz FDMQUIWUFLOQJO-OAHLLOKOSA-N 1 0 402.420 3.709 20 30 HHEDRO c1ccc(C2(CNC(NCCc3nnc4ccccn43)=[NH+]C3CCCCC3)CC2)cc1 ZINC000899893201 1073951753 /nfs/dbraw/zinc/95/17/53/1073951753.db2.gz NIVVGNNDTZIPPH-UHFFFAOYSA-N 1 0 416.573 3.872 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000555991491 1074022454 /nfs/dbraw/zinc/02/24/54/1074022454.db2.gz WLVMMPCDJYDZBH-NRFANRHFSA-N 1 0 419.569 3.892 20 30 HHEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)cc2C1=O ZINC000615203388 1074108818 /nfs/dbraw/zinc/10/88/18/1074108818.db2.gz GBNHRMIBKQJYRV-UHFFFAOYSA-N 1 0 417.509 3.749 20 30 HHEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)c1 ZINC000591486704 1074339883 /nfs/dbraw/zinc/33/98/83/1074339883.db2.gz NZYIKZWSJSDOIA-UHFFFAOYSA-N 1 0 412.493 3.844 20 30 HHEDRO C=CCN(CC=C)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000573407173 1074398768 /nfs/dbraw/zinc/39/87/68/1074398768.db2.gz HHNLDLRWYZZSCA-KRIYCRJKSA-N 1 0 415.965 3.571 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)CC1 ZINC000592069185 1074687272 /nfs/dbraw/zinc/68/72/72/1074687272.db2.gz NWFNHAVYHVPNPA-UHFFFAOYSA-N 1 0 401.507 3.828 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2Cl)CC1 ZINC000592297035 1074719125 /nfs/dbraw/zinc/71/91/25/1074719125.db2.gz TZPKUXQAKRHVQI-UHFFFAOYSA-N 1 0 400.748 3.942 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000573988233 1074749309 /nfs/dbraw/zinc/74/93/09/1074749309.db2.gz CFWGQXRKGXXBIA-WPSZSDGUSA-N 1 0 413.562 3.893 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000574181080 1075171226 /nfs/dbraw/zinc/17/12/26/1075171226.db2.gz RXHSKRSRVLFQEJ-HXUWFJFHSA-N 1 0 400.542 3.540 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)c2)cc1 ZINC000574216090 1075177670 /nfs/dbraw/zinc/17/76/70/1075177670.db2.gz GTTAOXPHJYXUKW-VWLOTQADSA-N 1 0 413.477 3.926 20 30 HHEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(S(=O)(=O)N3CCCCC3)s1)CC2 ZINC000574964463 1075434141 /nfs/dbraw/zinc/43/41/41/1075434141.db2.gz JHPVRQMLZNNBPQ-HXUWFJFHSA-N 1 0 415.584 3.614 20 30 HHEDRO O=C1c2ccccc2C(Nc2nc(Cl)nc3c2CC[NH2+]CC3)=C1c1ccccc1 ZINC001168411174 1075646306 /nfs/dbraw/zinc/64/63/06/1075646306.db2.gz RPXNIVRGWPOBKZ-UHFFFAOYSA-N 1 0 402.885 3.995 20 30 HHEDRO O=C(NCc1nc(-c2ccncc2)no1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000328606699 569418569 /nfs/dbraw/zinc/41/85/69/569418569.db2.gz SLIJBQVIXUKGNR-AUSIDOKSSA-N 1 0 403.486 3.890 20 30 HHEDRO Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)cc1C#N ZINC001164705877 719906863 /nfs/dbraw/zinc/90/68/63/719906863.db2.gz DZDLHUYVLMTIRN-UHFFFAOYSA-N 1 0 402.951 3.848 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1C#C[Si](C)(C)C)C2 ZINC001164815055 720151233 /nfs/dbraw/zinc/15/12/33/720151233.db2.gz HPUJFFLIHQWGRO-UPVQGACJSA-N 1 0 411.666 3.804 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc4ccc(C#N)cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840847 720532253 /nfs/dbraw/zinc/53/22/53/720532253.db2.gz UEXJELQWMMMFMI-QNWVGRARSA-N 1 0 400.530 3.681 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C4(C#N)CCC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840108 720543709 /nfs/dbraw/zinc/54/37/09/720543709.db2.gz RLHLKJZMVUJNMZ-ILWGZMRPSA-N 1 0 404.562 3.601 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C#N)c4ccccc4n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839236 720602407 /nfs/dbraw/zinc/60/24/07/720602407.db2.gz MQLRDCUHXBUPOU-SXWKCWPCSA-N 1 0 400.530 3.681 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)c(C#N)cc1C#N)CC2 ZINC001164844534 720688879 /nfs/dbraw/zinc/68/88/79/720688879.db2.gz SUXKMCSOLDBXQG-FQEVSTJZSA-N 1 0 421.932 3.738 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(C#N)c[nH]c3n1)CC2 ZINC001164839617 720696624 /nfs/dbraw/zinc/69/66/24/720696624.db2.gz APNXYFLKCMNNAE-HXUWFJFHSA-N 1 0 401.514 3.694 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)ccc1C#N)[C@H]2C ZINC001164856995 720967015 /nfs/dbraw/zinc/96/70/15/720967015.db2.gz DSFRJRAZROQPNV-ZDUSSCGKSA-N 1 0 408.884 3.769 20 30 HHEDRO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759979 721046958 /nfs/dbraw/zinc/04/69/58/721046958.db2.gz SIRWQVCFWXGRKY-UHFFFAOYSA-N 1 0 414.557 3.973 20 30 HHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164759427 721250627 /nfs/dbraw/zinc/25/06/27/721250627.db2.gz AEDHSTPTBNUPLZ-ROUUACIJSA-N 1 0 420.948 3.760 20 30 HHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904701 721546899 /nfs/dbraw/zinc/54/68/99/721546899.db2.gz FZRRSBDRXXJMKN-WBVHZDCISA-N 1 0 422.838 3.633 20 30 HHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C#C[Si](C)(C)C)[C@H]2CCCO[C@H]12 ZINC001164804687 721565321 /nfs/dbraw/zinc/56/53/21/721565321.db2.gz MCPQIPYPJFTFHR-ZRBLBEILSA-N 1 0 420.633 3.574 20 30 HHEDRO N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164906231 721710197 /nfs/dbraw/zinc/71/01/97/721710197.db2.gz LKGDRRAQHXXHHT-NRFANRHFSA-N 1 0 408.456 3.567 20 30 HHEDRO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967409 722078088 /nfs/dbraw/zinc/07/80/88/722078088.db2.gz FCGXYEPSWYVDCT-OKILXGFUSA-N 1 0 403.313 3.713 20 30 HHEDRO CCOc1cc2[nH+]ccc(N3CCN(c4ncccc4C#N)CC3)c2cc1OCC ZINC000301164344 970781740 /nfs/dbraw/zinc/78/17/40/970781740.db2.gz HKYSSCFAMUKHQB-UHFFFAOYSA-N 1 0 403.486 3.625 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301295564 970854622 /nfs/dbraw/zinc/85/46/22/970854622.db2.gz XIODDDYTMZZKSH-CQSZACIVSA-N 1 0 402.445 3.621 20 30 HHEDRO CC[NH+]1CCN(c2ccc(CNc3c(C#N)cnc4c(C)cc(C)cc43)cn2)CC1 ZINC000301377029 970895247 /nfs/dbraw/zinc/89/52/47/970895247.db2.gz RSQFDYKIKREWLC-UHFFFAOYSA-N 1 0 400.530 3.872 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ncnc2ccc(Br)cc21 ZINC000301618758 971004491 /nfs/dbraw/zinc/00/44/91/971004491.db2.gz DDKBZFGPJHPFKK-UHFFFAOYSA-N 1 0 410.319 3.832 20 30 HHEDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000542122865 1013056796 /nfs/dbraw/zinc/05/67/96/1013056796.db2.gz HEUQQHLCXOZNLZ-MRXNPFEDSA-N 1 0 405.502 3.865 20 30 HHEDRO Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)n2c3ccccc3nc2c1C#N ZINC000301881664 971097387 /nfs/dbraw/zinc/09/73/87/971097387.db2.gz MHMWGJNRJNCZSI-UHFFFAOYSA-N 1 0 400.486 3.615 20 30 HHEDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n2c3ccccc3nc2c1C#N ZINC000302042829 971159115 /nfs/dbraw/zinc/15/91/15/971159115.db2.gz IYGYDAFJEPAQEN-HXUWFJFHSA-N 1 0 411.509 3.846 20 30 HHEDRO N#Cc1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000302887209 971372509 /nfs/dbraw/zinc/37/25/09/971372509.db2.gz NPCUDOSAYSGBCX-SFHVURJKSA-N 1 0 400.320 3.890 20 30 HHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553125751 1013087100 /nfs/dbraw/zinc/08/71/00/1013087100.db2.gz XZJDZQJGKYWEOF-IBGZPJMESA-N 1 0 400.542 3.685 20 30 HHEDRO N#Cc1c(NC(=O)CN2CCC(C[NH+]3CCCC3)CC2)sc2c1CCCCC2 ZINC000303232551 971572274 /nfs/dbraw/zinc/57/22/74/971572274.db2.gz ZAIBCOUTHZQHJO-UHFFFAOYSA-N 1 0 400.592 3.635 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000303286381 971599759 /nfs/dbraw/zinc/59/97/59/971599759.db2.gz VYOGXTNYBVDFJR-HSZRJFAPSA-N 1 0 403.530 3.688 20 30 HHEDRO CC(C)COc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000303290265 971603461 /nfs/dbraw/zinc/60/34/61/971603461.db2.gz KUGHGZLNWDRGMU-UHFFFAOYSA-N 1 0 405.542 3.870 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000303308879 971618294 /nfs/dbraw/zinc/61/82/94/971618294.db2.gz RNKCTSQKALDMJD-UHFFFAOYSA-N 1 0 400.526 3.979 20 30 HHEDRO CN(C(=O)CN1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)C1(C#N)CCCCC1 ZINC000537564253 1013100547 /nfs/dbraw/zinc/10/05/47/1013100547.db2.gz RQRNZOFNLQVOOV-LJQANCHMSA-N 1 0 412.582 3.717 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000303352234 971651352 /nfs/dbraw/zinc/65/13/52/971651352.db2.gz FJTAVHSRHYEYLX-GOSISDBHSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000303385759 971675400 /nfs/dbraw/zinc/67/54/00/971675400.db2.gz NQYLGBNIRUDKTQ-RTBURBONSA-N 1 0 400.592 3.827 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303535777 971836745 /nfs/dbraw/zinc/83/67/45/971836745.db2.gz XLNLYACXAFFSAF-NOTZXAQLSA-N 1 0 419.573 3.658 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000303733978 971986647 /nfs/dbraw/zinc/98/66/47/971986647.db2.gz VUCBYVWHFYFRLS-SFHVURJKSA-N 1 0 406.530 3.550 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc(-c3csc(C)n3)cc2)cc1OC ZINC000303788796 972028095 /nfs/dbraw/zinc/02/80/95/972028095.db2.gz USFXQSSQXOSCSI-UHFFFAOYSA-N 1 0 410.543 3.783 20 30 HHEDRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303791410 972030404 /nfs/dbraw/zinc/03/04/04/972030404.db2.gz XNOONGCQYKRQGQ-UHFFFAOYSA-N 1 0 402.564 3.565 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(c3ccc(F)cc3)CCCCC2)CC1 ZINC000303868741 972410213 /nfs/dbraw/zinc/41/02/13/972410213.db2.gz DMLHMOWZXIGJFX-UHFFFAOYSA-N 1 0 404.530 3.553 20 30 HHEDRO [NH2+]=C(NCC1(c2ccccc2)CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303888392 972428790 /nfs/dbraw/zinc/42/87/90/972428790.db2.gz OXOPVXABYKHCGI-UHFFFAOYSA-N 1 0 412.965 3.525 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000303891744 972431519 /nfs/dbraw/zinc/43/15/19/972431519.db2.gz NHTSKAXNDBPNDM-LJQANCHMSA-N 1 0 402.926 3.921 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccccc2OCc2ccccc2)cc1OC ZINC000303896804 972435037 /nfs/dbraw/zinc/43/50/37/972435037.db2.gz UUOLNXTYQXVBOP-UHFFFAOYSA-N 1 0 419.525 3.930 20 30 HHEDRO C[C@@H](NC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000303902275 972472222 /nfs/dbraw/zinc/47/22/22/972472222.db2.gz XTRVFZZSXAHCKV-BXUZGUMPSA-N 1 0 400.281 3.538 20 30 HHEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000303904651 972474555 /nfs/dbraw/zinc/47/45/55/972474555.db2.gz YXQLQZNZFQYLLV-BEFAXECRSA-N 1 0 418.632 3.509 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 ZINC000303905886 972477015 /nfs/dbraw/zinc/47/70/15/972477015.db2.gz VSBKIEDTRLUAGZ-LIRRHRJNSA-N 1 0 420.916 3.676 20 30 HHEDRO C#CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1 ZINC000303912274 972485301 /nfs/dbraw/zinc/48/53/01/972485301.db2.gz RJIMLFPHDNKLHI-UHFFFAOYSA-N 1 0 415.331 3.665 20 30 HHEDRO COc1ccc(NC(=S)C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)cc1 ZINC000006896569 960949127 /nfs/dbraw/zinc/94/91/27/960949127.db2.gz LAUMNICDAWJTSN-UHFFFAOYSA-O 1 0 408.459 3.942 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC000553288683 1013244845 /nfs/dbraw/zinc/24/48/45/1013244845.db2.gz KJJICVFLSRSZRL-XLIONFOSSA-N 1 0 408.521 3.769 20 30 HHEDRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000553425261 1013344302 /nfs/dbraw/zinc/34/43/02/1013344302.db2.gz KNDINAHWVCJLSC-PEBVRCNWSA-N 1 0 418.364 3.632 20 30 HHEDRO COc1ccc(CNC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2ccccc2)cc1 ZINC000022692731 963699498 /nfs/dbraw/zinc/69/94/98/963699498.db2.gz ZHETXXBNXTWJJM-UHFFFAOYSA-O 1 0 413.469 3.990 20 30 HHEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NCc1ccccc1)[n+]1cccc(CO)c1 ZINC000022730791 963705078 /nfs/dbraw/zinc/70/50/78/963705078.db2.gz MKJIOAJUXOVOCM-UHFFFAOYSA-O 1 0 417.554 3.684 20 30 HHEDRO CCOC(=O)c1[nH]c(C)c(C(=O)C(C(=S)NC)[n+]2ccc(C(C)(C)C)cc2)c1C ZINC000022734786 963706012 /nfs/dbraw/zinc/70/60/12/963706012.db2.gz GGHGBBOVVKOVJC-UHFFFAOYSA-O 1 0 416.567 3.551 20 30 HHEDRO CCCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022803565 963719914 /nfs/dbraw/zinc/71/99/14/963719914.db2.gz VURLJWMBVRPWQN-UHFFFAOYSA-O 1 0 421.384 3.741 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000022808723 963720720 /nfs/dbraw/zinc/72/07/20/963720720.db2.gz MHTYOUQFFKCDAM-UHFFFAOYSA-N 1 0 420.557 3.540 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000542529315 1013471744 /nfs/dbraw/zinc/47/17/44/1013471744.db2.gz XBGYFKONQRVKTI-SNVBAGLBSA-N 1 0 413.831 3.877 20 30 HHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051052644 964452436 /nfs/dbraw/zinc/45/24/36/964452436.db2.gz KVDLNTTZXIGAMD-DOTOQJQBSA-N 1 0 404.942 3.557 20 30 HHEDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000542555315 1013497555 /nfs/dbraw/zinc/49/75/55/1013497555.db2.gz CMHVZWKHOSNKSS-KRWDZBQOSA-N 1 0 401.532 3.960 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000026338045 964529110 /nfs/dbraw/zinc/52/91/10/964529110.db2.gz HRKWNWUPISLEAU-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CC(N)=O)C2CCCCC2)sc2c1CCCCC2 ZINC000542561919 1013504468 /nfs/dbraw/zinc/50/44/68/1013504468.db2.gz HRXBGCNYIXHBRT-GOSISDBHSA-N 1 0 416.591 3.631 20 30 HHEDRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c(C)c1 ZINC000027211599 964820221 /nfs/dbraw/zinc/82/02/21/964820221.db2.gz XGGVUGUCYQBRNT-JOCHJYFZSA-N 1 0 406.526 3.704 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027418084 964885509 /nfs/dbraw/zinc/88/55/09/964885509.db2.gz DMSFPJVRBPTESP-IQJRZOLZSA-N 1 0 410.562 3.656 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccccc1CC ZINC000052485671 964916038 /nfs/dbraw/zinc/91/60/38/964916038.db2.gz MUSDVHRGYOHADZ-UHFFFAOYSA-N 1 0 413.591 3.786 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)ccc1S(C)(=O)=O ZINC000537974098 1013551369 /nfs/dbraw/zinc/55/13/69/1013551369.db2.gz NATZLPWAKQPWSV-OAHLLOKOSA-N 1 0 404.557 3.554 20 30 HHEDRO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172723 965773652 /nfs/dbraw/zinc/77/36/52/965773652.db2.gz SKCFHFGTXWDBIV-UHFFFAOYSA-N 1 0 404.558 3.503 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000059358252 966016912 /nfs/dbraw/zinc/01/69/12/966016912.db2.gz NDUPOPAVKHOFGK-NRFANRHFSA-N 1 0 422.529 3.570 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000060090238 966060230 /nfs/dbraw/zinc/06/02/30/966060230.db2.gz ILUUIYJZBUHHMF-NRFANRHFSA-N 1 0 405.502 3.563 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032065196 966186449 /nfs/dbraw/zinc/18/64/49/966186449.db2.gz RDJMNMSNKURNRQ-UHFFFAOYSA-N 1 0 424.548 3.773 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCOCC2)ccc1OC ZINC000060927393 966329711 /nfs/dbraw/zinc/32/97/11/966329711.db2.gz TWDUTILAFYMUPW-HXUWFJFHSA-N 1 0 400.519 3.715 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)ccc1OC ZINC000060949583 966334175 /nfs/dbraw/zinc/33/41/75/966334175.db2.gz LXWASMWXPWDYDN-QFIPXVFZSA-N 1 0 414.521 3.952 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000041167548 966527222 /nfs/dbraw/zinc/52/72/22/966527222.db2.gz ADKRQWPHGUJVIT-NRFANRHFSA-N 1 0 419.573 3.829 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c3c(cccc31)CC2)C(C)C ZINC000062205309 966623241 /nfs/dbraw/zinc/62/32/41/966623241.db2.gz DRFLTJZHAIIGSW-JOCHJYFZSA-N 1 0 405.542 3.692 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC3(CCC[N@H+]3C)CC2)c1C#N ZINC000538095549 1013666179 /nfs/dbraw/zinc/66/61/79/1013666179.db2.gz PJOCBYRIAQXORB-UHFFFAOYSA-N 1 0 423.536 3.604 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(C#N)cc1 ZINC000062485247 966687991 /nfs/dbraw/zinc/68/79/91/966687991.db2.gz KWBHGMAFPTXPAE-UHFFFAOYSA-N 1 0 404.436 3.850 20 30 HHEDRO Cc1cc(C)n(Cc2cccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000063505812 966878322 /nfs/dbraw/zinc/87/83/22/966878322.db2.gz LPQQWFSPTHATRE-UHFFFAOYSA-N 1 0 415.541 3.624 20 30 HHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000063753437 966947230 /nfs/dbraw/zinc/94/72/30/966947230.db2.gz BIZHURGWCFYHMQ-GOSISDBHSA-N 1 0 409.313 3.753 20 30 HHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000538132632 1013693920 /nfs/dbraw/zinc/69/39/20/1013693920.db2.gz PJFMAMDCXFBIOB-UHFFFAOYSA-N 1 0 421.975 3.870 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000043996111 967088968 /nfs/dbraw/zinc/08/89/68/967088968.db2.gz JKTOCQDGYMYJPM-UHFFFAOYSA-N 1 0 410.587 3.687 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3nncn3C3CC3)C1)CCCC2 ZINC000538138353 1013699462 /nfs/dbraw/zinc/69/94/62/1013699462.db2.gz SFTWOEAGLQKSED-OAHLLOKOSA-N 1 0 424.574 3.633 20 30 HHEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1 ZINC000538140701 1013701859 /nfs/dbraw/zinc/70/18/59/1013701859.db2.gz CRFLFDIMHGHJQF-UHFFFAOYSA-N 1 0 405.498 3.764 20 30 HHEDRO COc1ccc(C[NH2+]CC2(N3CCSCC3)CCCC2)cc1OCCCC#N ZINC000064613970 967249979 /nfs/dbraw/zinc/24/99/79/967249979.db2.gz QEOKRSIZDWHVIH-UHFFFAOYSA-N 1 0 403.592 3.829 20 30 HHEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000538161032 1013722691 /nfs/dbraw/zinc/72/26/91/1013722691.db2.gz HRQSELWTYKUPOM-QGZVFWFLSA-N 1 0 403.486 3.820 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000045787398 967552669 /nfs/dbraw/zinc/55/26/69/967552669.db2.gz RDSVWNWXGJQVED-RTBURBONSA-N 1 0 406.530 3.509 20 30 HHEDRO Cc1nc(SCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000046442367 967803604 /nfs/dbraw/zinc/80/36/04/967803604.db2.gz QIXCSEQRUVBHPW-UHFFFAOYSA-N 1 0 408.571 3.535 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000538207866 1013762047 /nfs/dbraw/zinc/76/20/47/1013762047.db2.gz JSKRKCGIAPJART-UHFFFAOYSA-N 1 0 422.529 3.970 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc(Br)c1 ZINC000047011561 968031194 /nfs/dbraw/zinc/03/11/94/968031194.db2.gz NMLIEVBJSWOGDO-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO C/C=C/c1ccc(OCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000047010522 968031541 /nfs/dbraw/zinc/03/15/41/968031541.db2.gz IWQFRXCVNNLPOQ-AATRIKPKSA-N 1 0 407.514 3.569 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000538230855 1013779903 /nfs/dbraw/zinc/77/99/03/1013779903.db2.gz ZUUHQHIKPDVFAS-SJORKVTESA-N 1 0 420.542 3.808 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000047950837 968376387 /nfs/dbraw/zinc/37/63/87/968376387.db2.gz QEWYKGYWHSMNON-IBGZPJMESA-N 1 0 414.600 3.989 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000048092363 968418249 /nfs/dbraw/zinc/41/82/49/968418249.db2.gz FQMRGZYCRZYKLR-NRFANRHFSA-N 1 0 409.555 3.753 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)cc1 ZINC000048160225 968462228 /nfs/dbraw/zinc/46/22/28/968462228.db2.gz MGFWUYKMQKYNBZ-IBGZPJMESA-N 1 0 400.548 3.869 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048160568 968463534 /nfs/dbraw/zinc/46/35/34/968463534.db2.gz YQDCUDYRLAPRIA-UHFFFAOYSA-N 1 0 406.530 3.561 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccccc1 ZINC000538259395 1013801286 /nfs/dbraw/zinc/80/12/86/1013801286.db2.gz GMPGHBYOKAXTIZ-FGZHOGPDSA-N 1 0 418.603 3.632 20 30 HHEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000538280395 1013818569 /nfs/dbraw/zinc/81/85/69/1013818569.db2.gz XMDTZKUIPNSFTH-OAHLLOKOSA-N 1 0 419.403 3.741 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000554142990 1013820152 /nfs/dbraw/zinc/82/01/52/1013820152.db2.gz RMZNMIZKFUNOAD-FQEVSTJZSA-N 1 0 410.905 3.668 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccc(F)cc1F ZINC000065930312 968720614 /nfs/dbraw/zinc/72/06/14/968720614.db2.gz XBAKGDKIODTDQB-UHFFFAOYSA-N 1 0 401.457 3.586 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000065931073 968721836 /nfs/dbraw/zinc/72/18/36/968721836.db2.gz KMQXANPHNZDVSX-UHFFFAOYSA-N 1 0 413.905 3.577 20 30 HHEDRO Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c(C#N)c(C)c1C ZINC000065931708 968721958 /nfs/dbraw/zinc/72/19/58/968721958.db2.gz KIDKZOPDNQTVGZ-UHFFFAOYSA-N 1 0 414.550 3.700 20 30 HHEDRO C=CCOc1cccc(NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000554180003 1013839826 /nfs/dbraw/zinc/83/98/26/1013839826.db2.gz UOISEFJYMUVHSS-QHCPKHFHSA-N 1 0 420.557 3.675 20 30 HHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000097059748 969086296 /nfs/dbraw/zinc/08/62/96/969086296.db2.gz MMOBNYQNOZNWLD-LJQANCHMSA-N 1 0 416.529 3.553 20 30 HHEDRO C[C@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097061461 969086532 /nfs/dbraw/zinc/08/65/32/969086532.db2.gz WOFDOHFJPMKRBX-UWJYYQICSA-N 1 0 420.582 3.703 20 30 HHEDRO C[C@@H](Sc1nc2c(cc1C#N)CCCC2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097061454 969086597 /nfs/dbraw/zinc/08/65/97/969086597.db2.gz WOFDOHFJPMKRBX-DYESRHJHSA-N 1 0 420.582 3.703 20 30 HHEDRO Cc1cc([C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)ccc1F ZINC000538322558 1013849018 /nfs/dbraw/zinc/84/90/18/1013849018.db2.gz CHCZZLMCZPKPGE-JOCHJYFZSA-N 1 0 403.461 3.871 20 30 HHEDRO C[C@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000097571487 969165994 /nfs/dbraw/zinc/16/59/94/969165994.db2.gz OETSJESOOUFQAS-HNNXBMFYSA-N 1 0 416.472 3.615 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1Cl ZINC000108389035 969378943 /nfs/dbraw/zinc/37/89/43/969378943.db2.gz XLWQFEHHQXBGBE-UHFFFAOYSA-N 1 0 403.935 3.676 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2)CC1 ZINC000108598055 969398750 /nfs/dbraw/zinc/39/87/50/969398750.db2.gz HVERGHLQKODOGE-DEOSSOPVSA-N 1 0 420.557 3.738 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2)CC1 ZINC000108598051 969398843 /nfs/dbraw/zinc/39/88/43/969398843.db2.gz HVERGHLQKODOGE-XMMPIXPASA-N 1 0 420.557 3.738 20 30 HHEDRO CCCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000109144181 969468790 /nfs/dbraw/zinc/46/87/90/969468790.db2.gz FJWFBEOMNBBXEJ-UHFFFAOYSA-N 1 0 414.594 3.734 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)CC1 ZINC000109269846 969488358 /nfs/dbraw/zinc/48/83/58/969488358.db2.gz PCWQXFIQSBXERN-UHFFFAOYSA-N 1 0 410.537 3.732 20 30 HHEDRO NC(=NOCC(=O)Nc1ccccc1Cl)c1cccc(C[NH+]2CCCCC2)c1 ZINC000110181870 969634247 /nfs/dbraw/zinc/63/42/47/969634247.db2.gz FITLHIDJRIEBRS-UHFFFAOYSA-N 1 0 400.910 3.602 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110986426 969754115 /nfs/dbraw/zinc/75/41/15/969754115.db2.gz XMGUDIBBTLRDDN-DOTOQJQBSA-N 1 0 404.942 3.557 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000195668231 969943955 /nfs/dbraw/zinc/94/39/55/969943955.db2.gz RBLUNRXRDMKZIG-DEOSSOPVSA-N 1 0 405.542 3.990 20 30 HHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(c(Br)c1)OCO2 ZINC000195674352 969947564 /nfs/dbraw/zinc/94/75/64/969947564.db2.gz KYQXNZBJNZMDSE-UHFFFAOYSA-N 1 0 403.276 3.698 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCCCC1 ZINC000195674008 969947881 /nfs/dbraw/zinc/94/78/81/969947881.db2.gz GUECYNPHXYSBQF-IBGZPJMESA-N 1 0 412.578 3.868 20 30 HHEDRO Cc1nc(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)no1 ZINC000195687015 969957926 /nfs/dbraw/zinc/95/79/26/969957926.db2.gz AEVLJBBVWPIOHP-UHFFFAOYSA-N 1 0 404.474 3.512 20 30 HHEDRO N#Cc1ccccc1NC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccccc1 ZINC000127671152 969972135 /nfs/dbraw/zinc/97/21/35/969972135.db2.gz KYEQYUZENAVBOR-UHFFFAOYSA-O 1 0 400.483 3.832 20 30 HHEDRO CCCNC(=S)C(C(=O)c1ccc(OC(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000128966128 969973623 /nfs/dbraw/zinc/97/36/23/969973623.db2.gz YUQICAYKHAQMLE-UHFFFAOYSA-O 1 0 400.568 3.766 20 30 HHEDRO N#Cc1c(F)cccc1N1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000139234118 970025389 /nfs/dbraw/zinc/02/53/89/970025389.db2.gz ZWXZSOUVCBRPNP-UHFFFAOYSA-N 1 0 402.473 3.994 20 30 HHEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000236755456 970168769 /nfs/dbraw/zinc/16/87/69/970168769.db2.gz YJPIMGKQJQPAST-HXUWFJFHSA-N 1 0 409.534 3.953 20 30 HHEDRO C=C(C)C[NH+]1CCC(NCc2cc(Br)ccc2OCCOCC)CC1 ZINC000236948557 970192569 /nfs/dbraw/zinc/19/25/69/970192569.db2.gz MJYNMTRRGRSBKA-UHFFFAOYSA-N 1 0 411.384 3.995 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)Cn2ccnc2C)cc1OC ZINC000237257809 970249957 /nfs/dbraw/zinc/24/99/57/970249957.db2.gz FNMNJHSJMSLKPK-AWEZNQCLSA-N 1 0 408.340 3.953 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554515176 1013969874 /nfs/dbraw/zinc/96/98/74/1013969874.db2.gz ZWNLXCLTWWJWCP-HXUWFJFHSA-N 1 0 405.926 3.816 20 30 HHEDRO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237346621 970267814 /nfs/dbraw/zinc/26/78/14/970267814.db2.gz HJUGLXJEMRMEIK-UHFFFAOYSA-N 1 0 420.534 3.972 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)cc1OC ZINC000237350987 970268250 /nfs/dbraw/zinc/26/82/50/970268250.db2.gz FOCWIBASLPSSRX-UHFFFAOYSA-N 1 0 401.551 3.856 20 30 HHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000237496989 970302100 /nfs/dbraw/zinc/30/21/00/970302100.db2.gz BWTHFPCAZZPMGT-SFHVURJKSA-N 1 0 415.497 3.984 20 30 HHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237548050 970311017 /nfs/dbraw/zinc/31/10/17/970311017.db2.gz APBFOHGZPCUCTG-QYZOEREBSA-N 1 0 407.514 3.517 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000237723091 970347230 /nfs/dbraw/zinc/34/72/30/970347230.db2.gz WQLLYYVNHCHQNU-UHFFFAOYSA-N 1 0 405.477 3.513 20 30 HHEDRO N#CCCn1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000237829153 970376138 /nfs/dbraw/zinc/37/61/38/970376138.db2.gz USDJRHFSCQERPP-UHFFFAOYSA-N 1 0 400.530 3.613 20 30 HHEDRO COc1ccc(NC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2ccccc2)cn1 ZINC000171063881 970493541 /nfs/dbraw/zinc/49/35/41/970493541.db2.gz AOIGPICTYUJLMY-UHFFFAOYSA-O 1 0 400.430 3.707 20 30 HHEDRO Cc1noc(C)c1C(=O)C(C(=S)NCCc1cccs1)[n+]1cccc(C)c1 ZINC000186967906 970493646 /nfs/dbraw/zinc/49/36/46/970493646.db2.gz DMYNVRQJMBEXRI-UHFFFAOYSA-O 1 0 400.549 3.720 20 30 HHEDRO COc1ccc(CC(=[NH2+])NOC=C(O)c2cc(C)n(Cc3cccs3)c2C)cc1 ZINC000195594121 970536634 /nfs/dbraw/zinc/53/66/34/970536634.db2.gz RNHZCMOQKPCHAE-UHFFFAOYSA-N 1 0 411.527 3.938 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3cccc(OCC#N)c3)cc2)CC1 ZINC000261410970 970659591 /nfs/dbraw/zinc/65/95/91/970659591.db2.gz JWZARSRLFNCXFP-UHFFFAOYSA-N 1 0 406.530 3.820 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 ZINC000303968048 972555743 /nfs/dbraw/zinc/55/57/43/972555743.db2.gz ADYIJMUGFHNHAN-UHFFFAOYSA-N 1 0 401.518 3.809 20 30 HHEDRO COc1ccccc1N1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303968009 972556010 /nfs/dbraw/zinc/55/60/10/972556010.db2.gz AALNBRCRYTXJFF-AWEZNQCLSA-N 1 0 408.424 3.847 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2cccc(C(=O)OCc3ccccc3)c2)cc1OC ZINC000303973150 972560410 /nfs/dbraw/zinc/56/04/10/972560410.db2.gz GRYMRJMNMHXRRJ-UHFFFAOYSA-N 1 0 419.481 3.988 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)c1 ZINC000303976000 972562364 /nfs/dbraw/zinc/56/23/64/972562364.db2.gz JPWYATFLPZCTOD-HNNXBMFYSA-N 1 0 402.926 3.919 20 30 HHEDRO Cc1c(Cl)cccc1NC(=O)CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303986946 972569525 /nfs/dbraw/zinc/56/95/25/972569525.db2.gz UZUUDICROMWWGB-UHFFFAOYSA-N 1 0 402.882 3.565 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303990400 972570606 /nfs/dbraw/zinc/57/06/06/972570606.db2.gz YMUDCGHNCZQYPJ-LJQANCHMSA-N 1 0 422.451 3.514 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NC[C@@H](C)CSc2ccccc2OC)cc1OC ZINC000303991587 972571556 /nfs/dbraw/zinc/57/15/56/972571556.db2.gz ZTDWPAWQKJWDPH-OAHLLOKOSA-N 1 0 403.548 3.545 20 30 HHEDRO COc1ccccc1[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)N1CCCCC1 ZINC000304513791 972602538 /nfs/dbraw/zinc/60/25/38/972602538.db2.gz YADFHGIUXZJVRV-RTWAWAEBSA-N 1 0 408.546 3.650 20 30 HHEDRO COc1ccc(CNC(=O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000304503411 972602547 /nfs/dbraw/zinc/60/25/47/972602547.db2.gz QDHZKPIMWXUKDQ-UHFFFAOYSA-N 1 0 404.470 3.531 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCCCN1c2ccccc2OCC1=O)c1ccc(Cl)cc1Cl ZINC000304750109 972604004 /nfs/dbraw/zinc/60/40/04/972604004.db2.gz IDWPTJVVDWHDJO-CYBMUJFWSA-N 1 0 421.328 3.774 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3ccccc3Br)CC2)cc1OC ZINC000304737441 972604311 /nfs/dbraw/zinc/60/43/11/972604311.db2.gz ALKMLCWKSWCTNC-UHFFFAOYSA-N 1 0 418.335 3.602 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccccc3Cl)CCOCC2)cc1OC ZINC000304765014 972607029 /nfs/dbraw/zinc/60/70/29/972607029.db2.gz YSDDRWZVUWQDDG-UHFFFAOYSA-N 1 0 403.910 3.832 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H](O)c1cc2ccccc2s1 ZINC000305005736 972608584 /nfs/dbraw/zinc/60/85/84/972608584.db2.gz PHVPBFHNFNEEOI-OAHLLOKOSA-N 1 0 409.433 3.938 20 30 HHEDRO [NH2+]=C(NCc1ccc(Cn2ccccc2=O)cc1)Nc1ccccc1OC(F)(F)F ZINC000305212586 972610239 /nfs/dbraw/zinc/61/02/39/972610239.db2.gz HKWINQOOKHQHBU-UHFFFAOYSA-N 1 0 416.403 3.722 20 30 HHEDRO COc1cc2c(cc1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)O[C@@H](C)C2 ZINC000305173834 972610494 /nfs/dbraw/zinc/61/04/94/972610494.db2.gz FTEJWPWTKNIBRC-LBPRGKRZSA-N 1 0 409.408 3.522 20 30 HHEDRO [NH2+]=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)Nc1ccccc1OC(F)(F)F ZINC000305227965 972611713 /nfs/dbraw/zinc/61/17/13/972611713.db2.gz KZUNEAHFIMNLIP-QGZVFWFLSA-N 1 0 422.407 3.630 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(-c3ccccc3C#N)cc2)cc1OC ZINC000305771736 972615033 /nfs/dbraw/zinc/61/50/33/972615033.db2.gz RTLXSIQWQGMWSB-UHFFFAOYSA-N 1 0 414.509 3.889 20 30 HHEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379704727 972774097 /nfs/dbraw/zinc/77/40/97/972774097.db2.gz KIHWVTTXWVLBLW-YJBOKZPZSA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000409488927 972939816 /nfs/dbraw/zinc/93/98/16/972939816.db2.gz XAVKXDIJSKPONG-ACJLOTCBSA-N 1 0 411.449 3.547 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000409518133 972973060 /nfs/dbraw/zinc/97/30/60/972973060.db2.gz KPPGCMFPRVSKJG-SJORKVTESA-N 1 0 410.331 3.913 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000409520371 972975913 /nfs/dbraw/zinc/97/59/13/972975913.db2.gz LESLROQKQIHROG-CQSZACIVSA-N 1 0 410.331 3.770 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(C#N)cc1 ZINC000554844304 1014071893 /nfs/dbraw/zinc/07/18/93/1014071893.db2.gz SWASYBWJBYBWTG-VGSWGCGISA-N 1 0 410.949 3.816 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409562500 973014447 /nfs/dbraw/zinc/01/44/47/973014447.db2.gz RDIOUQMHPQBBHY-FMKPAKJESA-N 1 0 415.481 3.603 20 30 HHEDRO C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409744061 973219956 /nfs/dbraw/zinc/21/99/56/973219956.db2.gz CSZACBXLOZLSDU-SIKLNZKXSA-N 1 0 413.525 3.869 20 30 HHEDRO C[C@@H]1C[C@@H](CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000409860821 973329031 /nfs/dbraw/zinc/32/90/31/973329031.db2.gz RPKQIDXZGGGNHL-DENIHFKCSA-N 1 0 413.525 3.774 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000409860822 973329151 /nfs/dbraw/zinc/32/91/51/973329151.db2.gz RPKQIDXZGGGNHL-KNQAVFIVSA-N 1 0 413.525 3.774 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410322944 973873360 /nfs/dbraw/zinc/87/33/60/973873360.db2.gz YPLWUMZYPSOMTF-UHFFFAOYSA-N 1 0 422.598 3.798 20 30 HHEDRO N#CC1(CCC[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CCOCC1 ZINC000410418105 974015802 /nfs/dbraw/zinc/01/58/02/974015802.db2.gz BRVZNBHUFQGIBD-UHFFFAOYSA-N 1 0 405.926 3.797 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C#N)cc3Cl)CC2)c1 ZINC000426127522 974249892 /nfs/dbraw/zinc/24/98/92/974249892.db2.gz ISQKMNJAVLIPRB-UHFFFAOYSA-N 1 0 411.937 3.854 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000426565963 974532925 /nfs/dbraw/zinc/53/29/25/974532925.db2.gz DCMSEOAZAMIHEF-HXUWFJFHSA-N 1 0 405.542 3.822 20 30 HHEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000426752953 974636548 /nfs/dbraw/zinc/63/65/48/974636548.db2.gz BNMUSHJXLCRZPX-QGZVFWFLSA-N 1 0 402.947 3.924 20 30 HHEDRO C=CC[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000426845994 974707846 /nfs/dbraw/zinc/70/78/46/974707846.db2.gz QRKLRDYLOCZROE-QHCPKHFHSA-N 1 0 411.590 3.577 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@H]1C ZINC000426985077 974800129 /nfs/dbraw/zinc/80/01/29/974800129.db2.gz DQRJPHKYCHVEPI-XLIONFOSSA-N 1 0 420.513 3.620 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H](C)Cn3cccn3)sc2C1 ZINC000427003833 974815951 /nfs/dbraw/zinc/81/59/51/974815951.db2.gz ASZJGHPHGQDCGR-JKSUJKDBSA-N 1 0 413.591 3.974 20 30 HHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427283995 975024024 /nfs/dbraw/zinc/02/40/24/975024024.db2.gz YPXZFBBINPWCAB-QHCPKHFHSA-N 1 0 415.541 3.853 20 30 HHEDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000427763045 975275034 /nfs/dbraw/zinc/27/50/34/975275034.db2.gz JHKGQXSFUVHETL-INIZCTEOSA-N 1 0 423.460 3.649 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1OCCc2sccc21 ZINC000427826123 975311003 /nfs/dbraw/zinc/31/10/03/975311003.db2.gz ZSQALFRMIBCBDR-FTLABTOESA-N 1 0 401.557 3.789 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000427928147 975354240 /nfs/dbraw/zinc/35/42/40/975354240.db2.gz KWXKZCDSORQUOC-SFHVURJKSA-N 1 0 404.514 3.627 20 30 HHEDRO CC(C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[NH+]1CCC(C)CC1 ZINC000428213334 975537184 /nfs/dbraw/zinc/53/71/84/975537184.db2.gz ROHMVNLYFDASCE-QFIPXVFZSA-N 1 0 407.562 3.950 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000428563603 975876331 /nfs/dbraw/zinc/87/63/31/975876331.db2.gz ZSHZPDTYJZTVAN-LADGPHEKSA-N 1 0 404.489 3.859 20 30 HHEDRO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000428785013 976060219 /nfs/dbraw/zinc/06/02/19/976060219.db2.gz TYJGULKGFRZYEI-VWLOTQADSA-N 1 0 415.493 3.554 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1Cl ZINC000428992291 976273249 /nfs/dbraw/zinc/27/32/49/976273249.db2.gz JZUFIKLGFQIGGM-YRISNDGFSA-N 1 0 402.970 3.557 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)c2)cc1 ZINC000429072149 976356665 /nfs/dbraw/zinc/35/66/65/976356665.db2.gz UUVRCWHKGRAQSN-IBGZPJMESA-N 1 0 406.486 3.537 20 30 HHEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000429314943 976584856 /nfs/dbraw/zinc/58/48/56/976584856.db2.gz ZDQXLDJNWWRCCE-VQTJNVASSA-N 1 0 412.534 3.740 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccco1 ZINC000429647920 976941253 /nfs/dbraw/zinc/94/12/53/976941253.db2.gz TYHNWSINASWTQL-FQEVSTJZSA-N 1 0 405.502 3.870 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc(SCC#N)c2)c1 ZINC000429949527 977222135 /nfs/dbraw/zinc/22/21/35/977222135.db2.gz OFQSPTLLNHIOES-UHFFFAOYSA-N 1 0 410.543 3.626 20 30 HHEDRO COc1ccccc1-n1nccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000430015762 977272546 /nfs/dbraw/zinc/27/25/46/977272546.db2.gz BBAUBRZMVMPICT-GOSISDBHSA-N 1 0 405.477 3.650 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)nc1 ZINC000430185813 977378000 /nfs/dbraw/zinc/37/80/00/977378000.db2.gz KHDNDKYKECLOBV-QHCPKHFHSA-N 1 0 422.492 3.854 20 30 HHEDRO Cn1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c(-c2ccc(C#N)cc2)n1 ZINC000430322659 977476134 /nfs/dbraw/zinc/47/61/34/977476134.db2.gz NKSCLSRPVUNUKM-UHFFFAOYSA-N 1 0 408.509 3.994 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2cccc(SCC#N)c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000430588946 977646606 /nfs/dbraw/zinc/64/66/06/977646606.db2.gz BIRZNWZDOWETBU-FQEVSTJZSA-N 1 0 422.554 3.721 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430642650 977664687 /nfs/dbraw/zinc/66/46/87/977664687.db2.gz VSXRRHSLNNLNNK-KNQAVFIVSA-N 1 0 421.541 3.895 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000430664977 977676032 /nfs/dbraw/zinc/67/60/32/977676032.db2.gz JSDZBBTWLRMEOL-SIKLNZKXSA-N 1 0 408.542 3.972 20 30 HHEDRO CC1(C)C[N@@H+](C2(CNC(=O)c3cccc(SCC#N)c3)CCCCC2)CCO1 ZINC000430692188 977698056 /nfs/dbraw/zinc/69/80/56/977698056.db2.gz QORHDKZKGXALDI-UHFFFAOYSA-N 1 0 401.576 3.846 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431377987 978251998 /nfs/dbraw/zinc/25/19/98/978251998.db2.gz QTLQCGHBYKEHTE-XMSQKQJNSA-N 1 0 418.541 3.596 20 30 HHEDRO Cc1nc(SCC(=O)NCC2CC[NH+](CCC(C)C)CC2)c(C#N)c(C)c1C ZINC000431554005 978357613 /nfs/dbraw/zinc/35/76/13/978357613.db2.gz YBDSRIFDVCVKKT-UHFFFAOYSA-N 1 0 402.608 3.845 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000431758368 978489376 /nfs/dbraw/zinc/48/93/76/978489376.db2.gz FYRMHGINQPAPGL-UHFFFAOYSA-N 1 0 406.741 3.975 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000431957626 978618679 /nfs/dbraw/zinc/61/86/79/978618679.db2.gz GTJTXHAVBAEUGJ-GHTZIAJQSA-N 1 0 406.530 3.687 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000431971963 978624926 /nfs/dbraw/zinc/62/49/26/978624926.db2.gz MIGKCIMMPKBFCU-UHFFFAOYSA-N 1 0 406.505 3.895 20 30 HHEDRO CC(C)(C)[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000431999001 978638505 /nfs/dbraw/zinc/63/85/05/978638505.db2.gz BEEWEYPXDFHBCH-UHFFFAOYSA-N 1 0 402.495 3.827 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+]([C@H](C)c3ccncc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000432032250 978653933 /nfs/dbraw/zinc/65/39/33/978653933.db2.gz LUQZVDRLQQBQIG-XXBNENTESA-N 1 0 418.541 3.669 20 30 HHEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)nc1 ZINC000432921598 979012586 /nfs/dbraw/zinc/01/25/86/979012586.db2.gz DQMLNDOROOVJRD-QFIPXVFZSA-N 1 0 419.529 3.667 20 30 HHEDRO C[C@@H](c1ccccc1)N1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433012486 979041396 /nfs/dbraw/zinc/04/13/96/979041396.db2.gz TWPMRMURKGILQE-URXFXBBRSA-N 1 0 404.558 3.917 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H](O)Cc3ccccc3)sc2C1 ZINC000433065379 979056330 /nfs/dbraw/zinc/05/63/30/979056330.db2.gz CGAHMXWUEKCSIX-WMZOPIPTSA-N 1 0 411.571 3.609 20 30 HHEDRO COc1ccccc1-c1noc(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)n1 ZINC000433170579 979114503 /nfs/dbraw/zinc/11/45/03/979114503.db2.gz XWTJNGYXIQVUBZ-UHFFFAOYSA-N 1 0 404.470 3.875 20 30 HHEDRO C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CN1Cc1ccccc1 ZINC000433306399 979227172 /nfs/dbraw/zinc/22/71/72/979227172.db2.gz QZPHCJDBPZMGJB-CVDCTZTESA-N 1 0 400.530 3.611 20 30 HHEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(O[C@H]2CCOC2)c1 ZINC000433311645 979229572 /nfs/dbraw/zinc/22/95/72/979229572.db2.gz NGFJLPZPUHHHMV-QFIPXVFZSA-N 1 0 417.513 3.625 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c(-c2ccncc2)n1 ZINC000433311333 979229695 /nfs/dbraw/zinc/22/96/95/979229695.db2.gz GVBWADGHXCSACA-QHCPKHFHSA-N 1 0 400.530 3.785 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000433311689 979229775 /nfs/dbraw/zinc/22/97/75/979229775.db2.gz IKWXEHBCYIQCIP-QHCPKHFHSA-N 1 0 400.530 3.613 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2(c3ccccc3)CCOCC2)c(-c2ccncc2)n1 ZINC000433340811 979249571 /nfs/dbraw/zinc/24/95/71/979249571.db2.gz QKTTUWNHHICJSO-UHFFFAOYSA-N 1 0 401.514 3.697 20 30 HHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000433432846 979301916 /nfs/dbraw/zinc/30/19/16/979301916.db2.gz JNZRNJSREDOITB-UHFFFAOYSA-N 1 0 408.452 3.953 20 30 HHEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000434416308 980157637 /nfs/dbraw/zinc/15/76/37/980157637.db2.gz OBIYCRLOESOCIN-LJQANCHMSA-N 1 0 413.905 3.581 20 30 HHEDRO Cc1ccn(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)n1 ZINC000434509921 980221212 /nfs/dbraw/zinc/22/12/12/980221212.db2.gz KLCXONIZABNRRT-HNNXBMFYSA-N 1 0 411.575 3.915 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2)C(C)C ZINC000434726374 980360831 /nfs/dbraw/zinc/36/08/31/980360831.db2.gz AYLOVDAKCKJGLA-SFHVURJKSA-N 1 0 418.607 3.555 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C1=O ZINC000434863731 980456039 /nfs/dbraw/zinc/45/60/39/980456039.db2.gz CCLPITUXULZBJL-SFHVURJKSA-N 1 0 415.946 3.716 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434896505 980477390 /nfs/dbraw/zinc/47/73/90/980477390.db2.gz QWAHLUSVSZBSNW-FPOVZHCZSA-N 1 0 408.546 3.830 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434896503 980477543 /nfs/dbraw/zinc/47/75/43/980477543.db2.gz QWAHLUSVSZBSNW-CTNGQTDRSA-N 1 0 408.546 3.830 20 30 HHEDRO CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435133945 980665661 /nfs/dbraw/zinc/66/56/61/980665661.db2.gz UIBFDGFAMUXTGP-QHCPKHFHSA-N 1 0 400.530 3.565 20 30 HHEDRO Cc1cc(NC(=O)COc2ccccc2C#N)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435265204 980749234 /nfs/dbraw/zinc/74/92/34/980749234.db2.gz FGCVLEUXTFCRLF-NRFANRHFSA-N 1 0 415.497 3.528 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435375957 980825646 /nfs/dbraw/zinc/82/56/46/980825646.db2.gz XFAXVZHAWNYHTL-NQIIRXRSSA-N 1 0 415.497 3.608 20 30 HHEDRO CCC1(CNS(=O)(=O)c2ccc(C#N)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000435431034 980858758 /nfs/dbraw/zinc/85/87/58/980858758.db2.gz BIQMGZCDIUPWPJ-UHFFFAOYSA-N 1 0 403.573 3.590 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1(c3cccc(C#N)c3)CC1)c1ccccc1O2 ZINC000435675293 980983160 /nfs/dbraw/zinc/98/31/60/980983160.db2.gz VCHVCAGJXVFLSK-OAQYLSRUSA-N 1 0 401.510 3.694 20 30 HHEDRO Cc1cc(NC(=O)CNc2ccc(C#N)cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435692973 980989456 /nfs/dbraw/zinc/98/94/56/980989456.db2.gz HQZJLNLIXIIKPY-QFIPXVFZSA-N 1 0 414.513 3.561 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000436270597 981278716 /nfs/dbraw/zinc/27/87/16/981278716.db2.gz NQOAXXBJMDDOTI-OXQOHEQNSA-N 1 0 406.958 3.585 20 30 HHEDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1OCCCC#N ZINC000436406002 981351526 /nfs/dbraw/zinc/35/15/26/981351526.db2.gz FWOJWJXUXHPEGM-LPHOPBHVSA-N 1 0 400.441 3.951 20 30 HHEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000436504388 981406411 /nfs/dbraw/zinc/40/64/11/981406411.db2.gz NDPYBJNQLYKQBL-UHFFFAOYSA-N 1 0 409.534 3.698 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448378408 981735452 /nfs/dbraw/zinc/73/54/52/981735452.db2.gz YYVXXDJYLRTDET-RDPSFJRHSA-N 1 0 400.526 3.962 20 30 HHEDRO CC(=O)N1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc2C1 ZINC000437080312 981750193 /nfs/dbraw/zinc/75/01/93/981750193.db2.gz DXUWKUIKMXMYCP-BBHUYCHWSA-N 1 0 404.514 3.726 20 30 HHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437087304 981755326 /nfs/dbraw/zinc/75/53/26/981755326.db2.gz VBSGUGYIERJAMZ-SRWJYRBRSA-N 1 0 408.502 3.659 20 30 HHEDRO CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460196385 981971005 /nfs/dbraw/zinc/97/10/05/981971005.db2.gz HCQATKJLMDLPHC-UHFFFAOYSA-N 1 0 404.518 3.759 20 30 HHEDRO C=C(C)COCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000460357051 982129808 /nfs/dbraw/zinc/12/98/08/982129808.db2.gz FBEMCSKJBAQMAZ-UHFFFAOYSA-N 1 0 424.383 3.648 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000460358235 982132261 /nfs/dbraw/zinc/13/22/61/982132261.db2.gz LHCCTEWZWCNKDH-IRXDYDNUSA-N 1 0 410.949 3.896 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460383142 982161659 /nfs/dbraw/zinc/16/16/59/982161659.db2.gz DFDTZNXOIZDCDF-UYAOXDASSA-N 1 0 408.550 3.614 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460383703 982162399 /nfs/dbraw/zinc/16/23/99/982162399.db2.gz CNIBLUBENJMIGZ-UHFFFAOYSA-N 1 0 413.529 3.500 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460386644 982165939 /nfs/dbraw/zinc/16/59/39/982165939.db2.gz IXKCBDOIQIGAGB-GOEBONIOSA-N 1 0 421.387 3.921 20 30 HHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460389901 982169665 /nfs/dbraw/zinc/16/96/65/982169665.db2.gz UIZBPLKXWRTHDC-IRLDBZIGSA-N 1 0 407.562 3.985 20 30 HHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)s2)cc1 ZINC000437542631 982172163 /nfs/dbraw/zinc/17/21/63/982172163.db2.gz WZHKTCHFSOQEBH-IBGZPJMESA-N 1 0 409.559 3.992 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460542155 982329345 /nfs/dbraw/zinc/32/93/45/982329345.db2.gz IJJKLWXJPUOYLH-PKOBYXMFSA-N 1 0 413.566 3.705 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460543351 982330176 /nfs/dbraw/zinc/33/01/76/982330176.db2.gz IKJBJMGXRURKLR-RBUKOAKNSA-N 1 0 411.550 3.505 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000460562796 982348233 /nfs/dbraw/zinc/34/82/33/982348233.db2.gz IGOFFYGDOCJNDM-DHIUTWEWSA-N 1 0 422.621 3.612 20 30 HHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460583672 982368270 /nfs/dbraw/zinc/36/82/70/982368270.db2.gz KYVFSYSFPPQPKA-FPOVZHCZSA-N 1 0 404.562 3.920 20 30 HHEDRO CC(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460641019 982415768 /nfs/dbraw/zinc/41/57/68/982415768.db2.gz VOCCRDVLGVCQFG-UHFFFAOYSA-N 1 0 403.534 3.513 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460786575 982538781 /nfs/dbraw/zinc/53/87/81/982538781.db2.gz KJPDMCGRJZQSSR-UHFFFAOYSA-N 1 0 413.566 3.849 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2)c1 ZINC000438050048 982552031 /nfs/dbraw/zinc/55/20/31/982552031.db2.gz MKMFPVCXKSYIDC-FQEVSTJZSA-N 1 0 408.502 3.709 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H]1C(C)C ZINC000460804017 982556695 /nfs/dbraw/zinc/55/66/95/982556695.db2.gz OXSDLWZZVDFCCK-QHCPKHFHSA-N 1 0 422.621 3.844 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460937991 982675892 /nfs/dbraw/zinc/67/58/92/982675892.db2.gz PLDBWFWPXYAVQK-KRWDZBQOSA-N 1 0 401.942 3.856 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460941840 982679628 /nfs/dbraw/zinc/67/96/28/982679628.db2.gz UXGBWRVLYLYAHQ-UHFFFAOYSA-N 1 0 402.546 3.937 20 30 HHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460942917 982679993 /nfs/dbraw/zinc/67/99/93/982679993.db2.gz GEIJVUBFMRLUKK-SZPZYZBQSA-N 1 0 417.557 3.801 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000438445593 982797275 /nfs/dbraw/zinc/79/72/75/982797275.db2.gz QFYBQSOBFAIFMT-MJGOQNOKSA-N 1 0 413.484 3.760 20 30 HHEDRO CCC1(CC)CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000438506115 982846270 /nfs/dbraw/zinc/84/62/70/982846270.db2.gz PGKNMQHKDYBPBM-SFHVURJKSA-N 1 0 412.578 3.868 20 30 HHEDRO CCC1(CC)CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000438506114 982846483 /nfs/dbraw/zinc/84/64/83/982846483.db2.gz PGKNMQHKDYBPBM-GOSISDBHSA-N 1 0 412.578 3.868 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438646649 982964985 /nfs/dbraw/zinc/96/49/85/982964985.db2.gz MNGWFEXXOWNFKZ-IYBDPMFKSA-N 1 0 423.483 3.599 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000438659218 982976767 /nfs/dbraw/zinc/97/67/67/982976767.db2.gz XQOIBBSFRGUZMM-SIKLNZKXSA-N 1 0 421.541 3.874 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000438659219 982976986 /nfs/dbraw/zinc/97/69/86/982976986.db2.gz XQOIBBSFRGUZMM-UGKGYDQZSA-N 1 0 421.541 3.874 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000438693428 983006134 /nfs/dbraw/zinc/00/61/34/983006134.db2.gz FRZQQKYZMZXOCH-NRFANRHFSA-N 1 0 405.502 3.563 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461424395 983087473 /nfs/dbraw/zinc/08/74/73/983087473.db2.gz GDTDTVZWSZDXDY-ARNLJNQMSA-N 1 0 417.553 3.942 20 30 HHEDRO C[C@@H]1C[NH+](CC2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)CC2)C[C@@H](C)O1 ZINC000439153650 983277384 /nfs/dbraw/zinc/27/73/84/983277384.db2.gz MJBAZBMZMDNJMI-ZIAGYGMSSA-N 1 0 418.463 3.849 20 30 HHEDRO CCCc1c(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706652 983510170 /nfs/dbraw/zinc/51/01/70/983510170.db2.gz WGKYAAGASCANNE-UTKZUKDTSA-N 1 0 408.550 3.890 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C#N ZINC000439743064 983522165 /nfs/dbraw/zinc/52/21/65/983522165.db2.gz IPXXOYRCXOJIGH-OAHLLOKOSA-N 1 0 421.570 3.903 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000439987020 983606496 /nfs/dbraw/zinc/60/64/96/983606496.db2.gz FKNDZBZXAYIEOJ-UHFFFAOYSA-N 1 0 412.578 3.567 20 30 HHEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000440049386 983625514 /nfs/dbraw/zinc/62/55/14/983625514.db2.gz IUWPHGLNNDXPFZ-LPHOPBHVSA-N 1 0 424.932 3.662 20 30 HHEDRO COc1cc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)ccc1C#N ZINC000440812513 983917519 /nfs/dbraw/zinc/91/75/19/983917519.db2.gz JYCKQYRAKCGSEP-MRXNPFEDSA-N 1 0 400.320 3.945 20 30 HHEDRO COc1cc(C#N)ccc1OCCN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440935360 983988338 /nfs/dbraw/zinc/98/83/38/983988338.db2.gz KTVSFZTYORBJNY-LJQANCHMSA-N 1 0 419.481 3.586 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441282508 984157590 /nfs/dbraw/zinc/15/75/90/984157590.db2.gz VQMBEXDSTIXUTN-FCHUYYIVSA-N 1 0 420.557 3.712 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1C#N ZINC000441798489 984461380 /nfs/dbraw/zinc/46/13/80/984461380.db2.gz URBQVROPCVKRES-ROUUACIJSA-N 1 0 418.541 3.600 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c1C#N ZINC000441998541 984586561 /nfs/dbraw/zinc/58/65/61/984586561.db2.gz NZJYDGHNNDSRBS-UYAOXDASSA-N 1 0 406.530 3.687 20 30 HHEDRO CCCNc1ccc(C#N)cc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000461706259 984722604 /nfs/dbraw/zinc/72/26/04/984722604.db2.gz VLDBTMPIYSLYGZ-UHFFFAOYSA-N 1 0 405.546 3.921 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)CC1 ZINC000442282337 984788716 /nfs/dbraw/zinc/78/87/16/984788716.db2.gz BPWUDRRMJTTWOE-UHFFFAOYSA-N 1 0 421.541 3.588 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000461886274 984910273 /nfs/dbraw/zinc/91/02/73/984910273.db2.gz WICBJEBFUFMANC-UHFFFAOYSA-N 1 0 408.502 3.574 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000461974348 984959668 /nfs/dbraw/zinc/95/96/68/984959668.db2.gz UWVMJNLTNRFENF-UHFFFAOYSA-N 1 0 408.502 3.574 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000461994188 984976075 /nfs/dbraw/zinc/97/60/75/984976075.db2.gz JFXWYGNMAYWNNC-SFHVURJKSA-N 1 0 404.514 3.556 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000462177817 985157555 /nfs/dbraw/zinc/15/75/55/985157555.db2.gz BBVOCPRBAAGFKI-MBSDFSHPSA-N 1 0 415.493 3.981 20 30 HHEDRO C[C@@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000462215622 985196157 /nfs/dbraw/zinc/19/61/57/985196157.db2.gz RCHCPXAWAQTNMP-HXUWFJFHSA-N 1 0 405.542 3.849 20 30 HHEDRO C[N@@H+]1CCN(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1(C)C ZINC000442959549 985302361 /nfs/dbraw/zinc/30/23/61/985302361.db2.gz AICAQJRBMRRUOA-UHFFFAOYSA-N 1 0 422.598 3.606 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1C ZINC000443361237 985523284 /nfs/dbraw/zinc/52/32/84/985523284.db2.gz MJEFEHDHVRQDIQ-XLIONFOSSA-N 1 0 420.513 3.620 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1C ZINC000443374811 985534997 /nfs/dbraw/zinc/53/49/97/985534997.db2.gz QJKCYTHGUXMKBP-FXAWDEMLSA-N 1 0 420.513 3.620 20 30 HHEDRO N#CCCn1cc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c(-c2ccccc2)n1 ZINC000462853692 985779384 /nfs/dbraw/zinc/77/93/84/985779384.db2.gz JQTDPFYWNXPRKE-HSZRJFAPSA-N 1 0 401.514 3.642 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000443641953 985830878 /nfs/dbraw/zinc/83/08/78/985830878.db2.gz XHPYAQAACJBVHU-OXQOHEQNSA-N 1 0 404.445 3.823 20 30 HHEDRO N#Cc1cccc(CNC(=O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000443658883 985857709 /nfs/dbraw/zinc/85/77/09/985857709.db2.gz WCXGTIJIOVREQV-UHFFFAOYSA-N 1 0 422.532 3.562 20 30 HHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)cc2)cc1 ZINC000443812104 986008601 /nfs/dbraw/zinc/00/86/01/986008601.db2.gz XZJSTSPNFRQSNK-XMMPIXPASA-N 1 0 419.525 3.872 20 30 HHEDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000443902048 986099825 /nfs/dbraw/zinc/09/98/25/986099825.db2.gz QOPSEVMAQXLRBQ-JTHBVZDNSA-N 1 0 409.555 3.542 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2noc(C3CC3)n2)CC1)C(C)C ZINC000463154434 986126204 /nfs/dbraw/zinc/12/62/04/986126204.db2.gz DHYMQBQXHQTMFQ-IBGZPJMESA-N 1 0 401.555 3.535 20 30 HHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207048 986178988 /nfs/dbraw/zinc/17/89/88/986178988.db2.gz YPXHPLCBMPCLTA-NJDAHSKKSA-N 1 0 422.491 3.579 20 30 HHEDRO Cc1cc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)ccc1C#N ZINC000443993753 986195068 /nfs/dbraw/zinc/19/50/68/986195068.db2.gz BGEPDZHCXWCIII-UHFFFAOYSA-N 1 0 407.495 3.747 20 30 HHEDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)C2)n(C)n1 ZINC000444002723 986200130 /nfs/dbraw/zinc/20/01/30/986200130.db2.gz GIFGYONFWIOECV-QHCPKHFHSA-N 1 0 415.541 3.938 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000463246993 986216184 /nfs/dbraw/zinc/21/61/84/986216184.db2.gz LSOGVYQZHCUICH-OXJNMPFZSA-N 1 0 421.379 3.933 20 30 HHEDRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000444029619 986224552 /nfs/dbraw/zinc/22/45/52/986224552.db2.gz YSWUWEIUYDIJRT-LJQANCHMSA-N 1 0 408.502 3.579 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@](CO)(c3ccccc3)C2)sc2c1CCCCC2 ZINC000463364630 986331518 /nfs/dbraw/zinc/33/15/18/986331518.db2.gz FCNOKLDNMJCEHX-XMMPIXPASA-N 1 0 423.582 3.853 20 30 HHEDRO C[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000468663035 986372883 /nfs/dbraw/zinc/37/28/83/986372883.db2.gz VFDVHPZZDLZDBM-QFZRFWILSA-N 1 0 409.574 3.783 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1C#N ZINC000444214299 986398236 /nfs/dbraw/zinc/39/82/36/986398236.db2.gz RAULNXJNPFFYOZ-HXUWFJFHSA-N 1 0 411.594 3.838 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000463433857 986409295 /nfs/dbraw/zinc/40/92/95/986409295.db2.gz ZATDTPLRVSHQGO-UYAOXDASSA-N 1 0 400.592 3.550 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463440116 986417698 /nfs/dbraw/zinc/41/76/98/986417698.db2.gz MXYSGXRGIINRRD-KUKRUZIOSA-N 1 0 411.590 3.623 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463440119 986417992 /nfs/dbraw/zinc/41/79/92/986417992.db2.gz MXYSGXRGIINRRD-QWIQBYFBSA-N 1 0 411.590 3.623 20 30 HHEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463489397 986464590 /nfs/dbraw/zinc/46/45/90/986464590.db2.gz JHIQLURJVPRRRQ-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000468791083 986502150 /nfs/dbraw/zinc/50/21/50/986502150.db2.gz BYAJXXUOQIEBEG-QGZVFWFLSA-N 1 0 420.488 3.904 20 30 HHEDRO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444387760 986563266 /nfs/dbraw/zinc/56/32/66/986563266.db2.gz CGDHPPHOZVEDIN-UHFFFAOYSA-N 1 0 407.518 3.947 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000468912334 986619226 /nfs/dbraw/zinc/61/92/26/986619226.db2.gz ILXYTDSXLUOVGT-HXUWFJFHSA-N 1 0 412.534 3.693 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468981425 986687616 /nfs/dbraw/zinc/68/76/16/986687616.db2.gz KQCIEXUJSHHCCP-GOSISDBHSA-N 1 0 400.482 3.950 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469008325 986713413 /nfs/dbraw/zinc/71/34/13/986713413.db2.gz PFPKJAKZXUHJMJ-NHCUHLMSSA-N 1 0 421.589 3.576 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)on2)c1 ZINC000469052524 986762845 /nfs/dbraw/zinc/76/28/45/986762845.db2.gz QSDFSRLPFLELAD-UHFFFAOYSA-N 1 0 400.482 3.855 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444780335 986936604 /nfs/dbraw/zinc/93/66/04/986936604.db2.gz DTSUMBHDNQYIIM-NRFANRHFSA-N 1 0 405.542 3.639 20 30 HHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000444815826 986969718 /nfs/dbraw/zinc/96/97/18/986969718.db2.gz HIODCTDBACKMAL-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000444820150 986973850 /nfs/dbraw/zinc/97/38/50/986973850.db2.gz UTPMIGXMDDURGR-KRWDZBQOSA-N 1 0 415.607 3.761 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1C#N ZINC000444867779 987023742 /nfs/dbraw/zinc/02/37/42/987023742.db2.gz AQZUFQYGSCVZJX-UHFFFAOYSA-N 1 0 414.550 3.702 20 30 HHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000444901490 987050512 /nfs/dbraw/zinc/05/05/12/987050512.db2.gz MFIDJYLUGFUSCG-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000469499784 987178792 /nfs/dbraw/zinc/17/87/92/987178792.db2.gz OPBODRLFBBGPAX-UHFFFAOYSA-N 1 0 400.482 3.780 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000470020302 987630553 /nfs/dbraw/zinc/63/05/53/987630553.db2.gz XNDSMAMVMOSRTG-RPWUZVMVSA-N 1 0 404.558 3.569 20 30 HHEDRO Cc1ccc([C@H]2OCCC[C@H]2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000470030899 987642777 /nfs/dbraw/zinc/64/27/77/987642777.db2.gz RPOYYQYKTAOLKN-DNQXCXABSA-N 1 0 420.557 3.860 20 30 HHEDRO Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000470030898 987642875 /nfs/dbraw/zinc/64/28/75/987642875.db2.gz RPOYYQYKTAOLKN-BJKOFHAPSA-N 1 0 420.557 3.860 20 30 HHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)n1 ZINC000470334635 988299796 /nfs/dbraw/zinc/29/97/96/988299796.db2.gz AOLOSCIOZQTYBS-UHFFFAOYSA-N 1 0 422.464 3.678 20 30 HHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nc2cc(Cl)ccc2c1=O ZINC000470438627 988410427 /nfs/dbraw/zinc/41/04/27/988410427.db2.gz OQIQWAMLWAXEJX-UHFFFAOYSA-N 1 0 421.010 3.744 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)ccc21 ZINC000470536814 988541970 /nfs/dbraw/zinc/54/19/70/988541970.db2.gz HCCUBOBLRCYOCE-UHFFFAOYSA-N 1 0 423.561 3.798 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H]1C ZINC000470545343 988553190 /nfs/dbraw/zinc/55/31/90/988553190.db2.gz DJMKKAVZDMGZFL-FXAWDEMLSA-N 1 0 411.550 3.606 20 30 HHEDRO C[NH+](C)CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C1CCCC1 ZINC000470548476 988559398 /nfs/dbraw/zinc/55/93/98/988559398.db2.gz WVRNZQPFFPCHKP-UHFFFAOYSA-N 1 0 411.550 3.608 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464588176 988767230 /nfs/dbraw/zinc/76/72/30/988767230.db2.gz VRLABXWJRFSSNZ-UHFFFAOYSA-N 1 0 413.543 3.898 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C(=O)OC)c(F)c1 ZINC000464783142 989012156 /nfs/dbraw/zinc/01/21/56/989012156.db2.gz GPMWUXPLDIEUJC-UHFFFAOYSA-N 1 0 418.538 3.711 20 30 HHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC000464854134 989108040 /nfs/dbraw/zinc/10/80/40/989108040.db2.gz DRQIFMFBHVVYNU-ZENLRNHISA-N 1 0 412.335 3.725 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471087347 989181855 /nfs/dbraw/zinc/18/18/55/989181855.db2.gz SYICMCNEAODACS-DXIQSLLYSA-N 1 0 424.907 3.842 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000464977361 989278625 /nfs/dbraw/zinc/27/86/25/989278625.db2.gz AIDLXLDWHKUXRC-JOCHJYFZSA-N 1 0 407.514 3.842 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000464985988 989290406 /nfs/dbraw/zinc/29/04/06/989290406.db2.gz MRXOCLXEQVCQKN-LJQANCHMSA-N 1 0 419.525 3.984 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@@H](C)C1 ZINC000471228045 989372048 /nfs/dbraw/zinc/37/20/48/989372048.db2.gz RKYKNUKUEBONKU-MBSDFSHPSA-N 1 0 421.589 3.626 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000471274926 989425610 /nfs/dbraw/zinc/42/56/10/989425610.db2.gz YXVYJMYGVIYWNS-HXUWFJFHSA-N 1 0 415.493 3.982 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)C2)n1 ZINC000471467929 989661620 /nfs/dbraw/zinc/66/16/20/989661620.db2.gz QDIMSWPCLTXEGV-NZQKXSOJSA-N 1 0 419.573 3.505 20 30 HHEDRO COc1ccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)[NH+]2CCCCC2)cc1 ZINC000465397603 989746968 /nfs/dbraw/zinc/74/69/68/989746968.db2.gz BWCARSRKSLIKDW-QFIPXVFZSA-N 1 0 410.493 3.732 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)NCCOc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000465425900 989770453 /nfs/dbraw/zinc/77/04/53/989770453.db2.gz CDOTUXVCVSKPHY-HXUWFJFHSA-N 1 0 412.559 3.771 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000465534378 989897087 /nfs/dbraw/zinc/89/70/87/989897087.db2.gz QEEZNQCIRPSEHT-RPWUZVMVSA-N 1 0 402.542 3.916 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@H](C)C1 ZINC000466021635 991188868 /nfs/dbraw/zinc/18/88/68/991188868.db2.gz VVINALUHNNOEKZ-XBYSBRQOSA-N 1 0 412.578 3.605 20 30 HHEDRO CO[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000466352225 991616539 /nfs/dbraw/zinc/61/65/39/991616539.db2.gz JTPWPFOYHBGMHM-OAQYLSRUSA-N 1 0 414.937 3.673 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CCC2CCOCC2)cc1 ZINC000466476104 991768002 /nfs/dbraw/zinc/76/80/02/991768002.db2.gz WNCIIACQDHQKDS-UHFFFAOYSA-N 1 0 424.545 3.661 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466522588 991816241 /nfs/dbraw/zinc/81/62/41/991816241.db2.gz NLRWJGIAKLTJCP-UGKGYDQZSA-N 1 0 418.541 3.774 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466604497 991921045 /nfs/dbraw/zinc/92/10/45/991921045.db2.gz OXPMAXUYXUDPEN-UHFFFAOYSA-N 1 0 407.518 3.892 20 30 HHEDRO CC1(C)CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466605224 991921603 /nfs/dbraw/zinc/92/16/03/991921603.db2.gz YSBDSSFHHJUYLP-UHFFFAOYSA-N 1 0 407.518 3.892 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466616696 991933065 /nfs/dbraw/zinc/93/30/65/991933065.db2.gz OCQSUFMWTDLRCR-UYAOXDASSA-N 1 0 407.518 3.796 20 30 HHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466618254 991934326 /nfs/dbraw/zinc/93/43/26/991934326.db2.gz LFYNFRMRWDOCAB-KRWDZBQOSA-N 1 0 408.506 3.506 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1c(F)cccc1OC(F)F ZINC000466755447 992064131 /nfs/dbraw/zinc/06/41/31/992064131.db2.gz RKKUSMRFKJCRJD-UHFFFAOYSA-N 1 0 420.435 3.572 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466932809 992244211 /nfs/dbraw/zinc/24/42/11/992244211.db2.gz CXORULRFKSOXKC-UGSOOPFHSA-N 1 0 410.331 3.769 20 30 HHEDRO N#Cc1cccc(-n2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000466985515 992295482 /nfs/dbraw/zinc/29/54/82/992295482.db2.gz MBRHIPDOOPYILG-UHFFFAOYSA-N 1 0 419.916 3.792 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@@H]1C ZINC000467148921 992464888 /nfs/dbraw/zinc/46/48/88/992464888.db2.gz NXHXDZZXPBBTQH-LAUBAEHRSA-N 1 0 407.562 3.709 20 30 HHEDRO CCN(C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000467295587 992621299 /nfs/dbraw/zinc/62/12/99/992621299.db2.gz RFSRNJVJDVAAHK-NRFANRHFSA-N 1 0 404.558 3.989 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000467632207 992895562 /nfs/dbraw/zinc/89/55/62/992895562.db2.gz CSBGOKSUIZSJMU-UHFFFAOYSA-N 1 0 410.514 3.717 20 30 HHEDRO CCc1nnc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(C#N)c1CC ZINC000467795288 993030489 /nfs/dbraw/zinc/03/04/89/993030489.db2.gz MMVVRTKBGLLAQU-UHFFFAOYSA-N 1 0 423.561 3.575 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000472097801 993148882 /nfs/dbraw/zinc/14/88/82/993148882.db2.gz YTFLFLNIRWUJJJ-QFIPXVFZSA-N 1 0 420.944 3.922 20 30 HHEDRO Cc1nn(C)c(N2CC[NH+](CCCCOc3ccccc3C(F)(F)F)CC2)c1C#N ZINC000472155260 993207375 /nfs/dbraw/zinc/20/73/75/993207375.db2.gz MDLULWUACXCEJQ-UHFFFAOYSA-N 1 0 421.467 3.600 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)C2)n1 ZINC000472158238 993208707 /nfs/dbraw/zinc/20/87/07/993208707.db2.gz QJCWUYQJBBHLTJ-XJUOHMSHSA-N 1 0 423.605 3.591 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)C2)n1 ZINC000472158216 993209214 /nfs/dbraw/zinc/20/92/14/993209214.db2.gz QJCWUYQJBBHLTJ-FUDKSRODSA-N 1 0 423.605 3.591 20 30 HHEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472254761 993281383 /nfs/dbraw/zinc/28/13/83/993281383.db2.gz GHHGIOPHRJQKQI-RTWAWAEBSA-N 1 0 412.534 3.572 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000472574342 993542559 /nfs/dbraw/zinc/54/25/59/993542559.db2.gz MBDARPDIRRTFEC-ICSRJNTNSA-N 1 0 414.431 3.678 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000472721207 993647373 /nfs/dbraw/zinc/64/73/73/993647373.db2.gz IYEUQMPALGFGHV-UHFFFAOYSA-N 1 0 412.921 3.639 20 30 HHEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000480790543 993659107 /nfs/dbraw/zinc/65/91/07/993659107.db2.gz OWMZQDJKHRBMQU-UHFFFAOYSA-N 1 0 419.573 3.513 20 30 HHEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893684 993819771 /nfs/dbraw/zinc/81/97/71/993819771.db2.gz CHFFBRKUNMDNTK-PMACEKPBSA-N 1 0 419.573 3.611 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000481064297 993904820 /nfs/dbraw/zinc/90/48/20/993904820.db2.gz UTOVHZUDSHABIH-UTKZUKDTSA-N 1 0 415.534 3.512 20 30 HHEDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H](C)C1 ZINC000481169443 994000110 /nfs/dbraw/zinc/00/01/10/994000110.db2.gz CBQFORXYBGEDEX-WIRSXHRWSA-N 1 0 412.578 3.770 20 30 HHEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169846 994001696 /nfs/dbraw/zinc/00/16/96/994001696.db2.gz JDRRPDFRWUGIIY-MZLICYQSSA-N 1 0 422.548 3.961 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182122 994012091 /nfs/dbraw/zinc/01/20/91/994012091.db2.gz OXIPMWNHVFFACA-JOPUDMMZSA-N 1 0 410.606 3.806 20 30 HHEDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H]1C ZINC000481183481 994014263 /nfs/dbraw/zinc/01/42/63/994014263.db2.gz BKJGMBVYALVLIT-IKVWTGGYSA-N 1 0 412.578 3.770 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000473175225 994042288 /nfs/dbraw/zinc/04/22/88/994042288.db2.gz SKLKKYYFEWGUKS-HSZRJFAPSA-N 1 0 407.539 3.959 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473429241 994280020 /nfs/dbraw/zinc/28/00/20/994280020.db2.gz CAYXSKJSEZUFEM-FVRICEFQSA-N 1 0 415.553 3.514 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)c1 ZINC000481667736 994527480 /nfs/dbraw/zinc/52/74/80/994527480.db2.gz HJUVMRHUTFIGFH-PKTZIBPZSA-N 1 0 405.498 3.738 20 30 HHEDRO Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481668696 994528892 /nfs/dbraw/zinc/52/88/92/994528892.db2.gz UDQUJTDWDSKETB-IBGZPJMESA-N 1 0 406.530 3.803 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000473793836 994718024 /nfs/dbraw/zinc/71/80/24/994718024.db2.gz HWYMWHMPZUZLBY-HSQYWUDLSA-N 1 0 419.525 3.893 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000473796314 994721260 /nfs/dbraw/zinc/72/12/60/994721260.db2.gz XTKNJUYKRFNXKE-HSQYWUDLSA-N 1 0 419.525 3.893 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1cccc(C#N)c1 ZINC000473796316 994721674 /nfs/dbraw/zinc/72/16/74/994721674.db2.gz XTKNJUYKRFNXKE-WTOYTKOKSA-N 1 0 419.525 3.893 20 30 HHEDRO 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/nfs/dbraw/zinc/44/15/21/999441521.db2.gz SSOWPSNCLVGMBV-HSZRJFAPSA-N 1 0 424.497 3.989 20 30 HHEDRO Cc1cc(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479536685 999466022 /nfs/dbraw/zinc/46/60/22/999466022.db2.gz MYKULYCKLGNCPL-DEOSSOPVSA-N 1 0 417.557 3.615 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3csc(-c4ccco4)n3)CC2)cc1 ZINC000479581544 999489034 /nfs/dbraw/zinc/48/90/34/999489034.db2.gz INAFUHCSOLRDKC-UHFFFAOYSA-N 1 0 421.526 3.692 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)c(F)c1 ZINC000488464555 999495230 /nfs/dbraw/zinc/49/52/30/999495230.db2.gz JXBNFRLWOLUZSB-ORAYPTAESA-N 1 0 416.294 3.912 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4ncc(C(F)(F)F)cc43)C2=O)cc1 ZINC000488491583 999505788 /nfs/dbraw/zinc/50/57/88/999505788.db2.gz VUKRBQDFSNKZTG-WOJBJXKFSA-N 1 0 414.431 3.740 20 30 HHEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488497496 999507941 /nfs/dbraw/zinc/50/79/41/999507941.db2.gz MCHUEGCPQXJRHA-FOIQADDNSA-N 1 0 401.432 3.899 20 30 HHEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000488503108 999510120 /nfs/dbraw/zinc/51/01/20/999510120.db2.gz UWYZVVKSHZXWJW-RDTXWAMCSA-N 1 0 415.440 3.620 20 30 HHEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000488503104 999510223 /nfs/dbraw/zinc/51/02/23/999510223.db2.gz UWYZVVKSHZXWJW-KDOFPFPSSA-N 1 0 415.440 3.620 20 30 HHEDRO C[C@@]1(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000489059137 999685678 /nfs/dbraw/zinc/68/56/78/999685678.db2.gz HHRMGTKHMMEUSG-NOZRDPDXSA-N 1 0 418.541 3.696 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000489197197 999720371 /nfs/dbraw/zinc/72/03/71/999720371.db2.gz MXGAOUCYUJGRQZ-UHFFFAOYSA-N 1 0 424.520 3.902 20 30 HHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000489384776 999755983 /nfs/dbraw/zinc/75/59/83/999755983.db2.gz BBTLPHZZGDCMHW-OAQYLSRUSA-N 1 0 419.573 3.955 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000480270202 999760351 /nfs/dbraw/zinc/76/03/51/999760351.db2.gz MXSLIZNTGCGNGZ-RHSMWYFYSA-N 1 0 410.453 3.727 20 30 HHEDRO COCC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@H]1CCO[C@@H]1C ZINC000489409400 999760990 /nfs/dbraw/zinc/76/09/90/999760990.db2.gz GLPAABLSDZLSTN-GCJKJVERSA-N 1 0 410.514 3.772 20 30 HHEDRO C=CCCCS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000489443896 999768657 /nfs/dbraw/zinc/76/86/57/999768657.db2.gz XBJOPNFBRCZDEN-AEFFLSMTSA-N 1 0 404.498 3.974 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000480378472 999784279 /nfs/dbraw/zinc/78/42/79/999784279.db2.gz SQBHCTWPGLBGSW-VGOFRKELSA-N 1 0 410.518 3.705 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C(C)C ZINC000480568366 999828836 /nfs/dbraw/zinc/82/88/36/999828836.db2.gz KDUUIZPQGVIRBE-UEQSERJNSA-N 1 0 411.590 3.899 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489811153 999842514 /nfs/dbraw/zinc/84/25/14/999842514.db2.gz YBBSEYBSNXLRFJ-UHFFFAOYSA-N 1 0 420.557 3.637 20 30 HHEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)cc1 ZINC000490058058 999886816 /nfs/dbraw/zinc/88/68/16/999886816.db2.gz FKUHJIHVWJFUJX-KSEOMHKRSA-N 1 0 422.598 3.643 20 30 HHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@H]2C1 ZINC000490402185 999951903 /nfs/dbraw/zinc/95/19/03/999951903.db2.gz PIEUAKUBNNMYRD-CVDCTZTESA-N 1 0 404.514 3.890 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490512473 999969929 /nfs/dbraw/zinc/96/99/29/999969929.db2.gz DWFFYONGTPUTHY-IBGZPJMESA-N 1 0 424.932 3.521 20 30 HHEDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)ccc1OCc1cccc(C#N)c1 ZINC000490653810 999989318 /nfs/dbraw/zinc/98/93/18/999989318.db2.gz RXRZXEXVGIEAOE-FGZHOGPDSA-N 1 0 419.525 3.636 20 30 HHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000490792834 1000006783 /nfs/dbraw/zinc/00/67/83/1000006783.db2.gz KFOMLXOSJAXMSP-UHFFFAOYSA-N 1 0 405.527 3.729 20 30 HHEDRO C=CCN1CCC([NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CC1 ZINC000491042949 1000038759 /nfs/dbraw/zinc/03/87/59/1000038759.db2.gz YRFRJGRJFMRTRI-JOCHJYFZSA-N 1 0 420.525 3.698 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)C2=O)cc1 ZINC000492351450 1000122913 /nfs/dbraw/zinc/12/29/13/1000122913.db2.gz MSOGEUXIDAKRRP-SFHVURJKSA-N 1 0 417.435 3.606 20 30 HHEDRO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000492463680 1000128161 /nfs/dbraw/zinc/12/81/61/1000128161.db2.gz QSRVPQHFSYRLKT-INIZCTEOSA-N 1 0 408.462 3.718 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000494076736 1000297318 /nfs/dbraw/zinc/29/73/18/1000297318.db2.gz DLUZMAGXGFTLCG-LZQZEXGQSA-N 1 0 402.564 3.580 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000494079735 1000298695 /nfs/dbraw/zinc/29/86/95/1000298695.db2.gz OXUMYJLYKYAWLO-BJKOFHAPSA-N 1 0 403.526 3.586 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Br)s1 ZINC000494244551 1000384266 /nfs/dbraw/zinc/38/42/66/1000384266.db2.gz JRLPZLWEKTWPQN-UHFFFAOYSA-N 1 0 422.348 3.859 20 30 HHEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000494252259 1000390644 /nfs/dbraw/zinc/39/06/44/1000390644.db2.gz WPQPKKJFDKWSFD-QFBILLFUSA-N 1 0 405.832 3.875 20 30 HHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000494489439 1000519598 /nfs/dbraw/zinc/51/95/98/1000519598.db2.gz DFLVTKSXAAQWKF-UHFFFAOYSA-N 1 0 403.935 3.891 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1C ZINC000494542130 1000545911 /nfs/dbraw/zinc/54/59/11/1000545911.db2.gz MUAUMFXUZWCPSS-XMMPIXPASA-N 1 0 405.542 3.922 20 30 HHEDRO CC1CC[NH+](C2CCC(NC(=O)CCCC(=O)Nc3ccccc3C#N)CC2)CC1 ZINC000505123597 1000561906 /nfs/dbraw/zinc/56/19/06/1000561906.db2.gz NQNKWCNOTKINTL-UHFFFAOYSA-N 1 0 410.562 3.826 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494586309 1000565617 /nfs/dbraw/zinc/56/56/17/1000565617.db2.gz YVBRPEWYMMZAET-RPBOFIJWSA-N 1 0 417.553 3.803 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC2)cc1 ZINC000505131436 1000567340 /nfs/dbraw/zinc/56/73/40/1000567340.db2.gz RTZZPAASEOWGIH-NRFANRHFSA-N 1 0 421.516 3.979 20 30 HHEDRO COc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+]2CCCC2)cc1 ZINC000505169169 1000592458 /nfs/dbraw/zinc/59/24/58/1000592458.db2.gz IZZVZPWCZMYPQO-QFIPXVFZSA-N 1 0 407.489 3.691 20 30 HHEDRO CN(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC000505181475 1000601480 /nfs/dbraw/zinc/60/14/80/1000601480.db2.gz GBPHOTWEAIEFDO-QFIPXVFZSA-N 1 0 410.949 3.597 20 30 HHEDRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000494787049 1000656099 /nfs/dbraw/zinc/65/60/99/1000656099.db2.gz YFUODYLKURIGME-APWZRJJASA-N 1 0 410.562 3.619 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000505308810 1000690323 /nfs/dbraw/zinc/69/03/23/1000690323.db2.gz VBUPVMXWGMYZIF-QFIPXVFZSA-N 1 0 420.532 3.695 20 30 HHEDRO CC[C@](C)(C#N)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000505337630 1000710887 /nfs/dbraw/zinc/71/08/87/1000710887.db2.gz KOWYRUPOZGTQDS-HXUWFJFHSA-N 1 0 410.484 3.664 20 30 HHEDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494884663 1000711317 /nfs/dbraw/zinc/71/13/17/1000711317.db2.gz BOTBAWYGPJHXCC-MSOLQXFVSA-N 1 0 400.567 3.724 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C[C@H](C)O1 ZINC000505344464 1000714488 /nfs/dbraw/zinc/71/44/88/1000714488.db2.gz OTRQGKQKUWEEFX-ROUUACIJSA-N 1 0 421.516 3.655 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@H]3CCC[C@@H]31)CCCC2 ZINC000494900623 1000720298 /nfs/dbraw/zinc/72/02/98/1000720298.db2.gz AYQRBEYJSPQVTG-LQWHRVPQSA-N 1 0 410.562 3.621 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000505673144 1000968161 /nfs/dbraw/zinc/96/81/61/1000968161.db2.gz LPZGAFDJOWHNOS-UGKGYDQZSA-N 1 0 405.542 3.771 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000505799234 1001032344 /nfs/dbraw/zinc/03/23/44/1001032344.db2.gz NWMUAXQXXMQGLR-MHECFPHRSA-N 1 0 413.562 3.796 20 30 HHEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000495653923 1001057741 /nfs/dbraw/zinc/05/77/41/1001057741.db2.gz IWHMPRVKDUZQIZ-IBGZPJMESA-N 1 0 422.598 3.713 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC000505918037 1001099885 /nfs/dbraw/zinc/09/98/85/1001099885.db2.gz WYJNXKZJKWDNID-UHFFFAOYSA-N 1 0 420.532 3.648 20 30 HHEDRO C=CCc1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc(OC)c1OC ZINC000496244395 1001145425 /nfs/dbraw/zinc/14/54/25/1001145425.db2.gz LKFSYMWHQRQWES-QFIPXVFZSA-N 1 0 423.557 3.954 20 30 HHEDRO N#Cc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000496357370 1001164734 /nfs/dbraw/zinc/16/47/34/1001164734.db2.gz NCEQXASXNAMICJ-UHFFFAOYSA-N 1 0 401.432 3.854 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1OCCCC#N ZINC000506138361 1001243064 /nfs/dbraw/zinc/24/30/64/1001243064.db2.gz RLCKCPODSPZBPG-LJQANCHMSA-N 1 0 405.502 3.800 20 30 HHEDRO Cn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1-c1ccccc1 ZINC000496934604 1001251167 /nfs/dbraw/zinc/25/11/67/1001251167.db2.gz RDDMSYDWFYPRSB-UHFFFAOYSA-N 1 0 402.502 3.554 20 30 HHEDRO Cc1cc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)nn1-c1cccc(C#N)c1 ZINC000506199026 1001274273 /nfs/dbraw/zinc/27/42/73/1001274273.db2.gz MTYODGOSFWFKFO-GOSISDBHSA-N 1 0 401.514 3.912 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506230174 1001294205 /nfs/dbraw/zinc/29/42/05/1001294205.db2.gz AUZAXTKOAOBKIP-UHFFFAOYSA-N 1 0 409.505 3.766 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000506478583 1001431300 /nfs/dbraw/zinc/43/13/00/1001431300.db2.gz GWUKRJMOSRXITQ-RBUKOAKNSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000506478584 1001431342 /nfs/dbraw/zinc/43/13/42/1001431342.db2.gz GWUKRJMOSRXITQ-RTBURBONSA-N 1 0 400.592 3.827 20 30 HHEDRO Cc1cc(NC(=O)N2CCC(C)(C#N)CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000506745085 1001511529 /nfs/dbraw/zinc/51/15/29/1001511529.db2.gz UXEKRXNLJSTFTQ-HXUWFJFHSA-N 1 0 406.534 3.796 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(C)C ZINC000498353689 1001791489 /nfs/dbraw/zinc/79/14/89/1001791489.db2.gz KGCRMWMNIWPHCQ-QFIPXVFZSA-N 1 0 412.578 3.745 20 30 HHEDRO C=CCc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc(OC)c1O ZINC000498368881 1001801008 /nfs/dbraw/zinc/80/10/08/1001801008.db2.gz FRRYUSBDQKDESG-VXKWHMMOSA-N 1 0 416.949 3.944 20 30 HHEDRO CCC(CC)[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000498388464 1001817874 /nfs/dbraw/zinc/81/78/74/1001817874.db2.gz DWMONQJFBXTRMI-FGZHOGPDSA-N 1 0 400.567 3.615 20 30 HHEDRO Cc1cc(C#N)ccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507269975 1001953820 /nfs/dbraw/zinc/95/38/20/1001953820.db2.gz LXLLYFSZAWNXHZ-QFIPXVFZSA-N 1 0 403.526 3.525 20 30 HHEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000507421019 1002062326 /nfs/dbraw/zinc/06/23/26/1002062326.db2.gz KVRKVPLDGKNRPO-BEFAXECRSA-N 1 0 408.458 3.711 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507595539 1002202680 /nfs/dbraw/zinc/20/26/80/1002202680.db2.gz HCDXZAJEVVNHQT-UHFFFAOYSA-N 1 0 404.514 3.514 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000507634036 1002235481 /nfs/dbraw/zinc/23/54/81/1002235481.db2.gz DWEUEDCCDHCCDX-FBHNJWQJSA-N 1 0 411.571 3.992 20 30 HHEDRO C=CCc1cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000507833271 1002375974 /nfs/dbraw/zinc/37/59/74/1002375974.db2.gz KVNAORVWNZVXPO-GHTZIAJQSA-N 1 0 400.906 3.844 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000499103562 1002495390 /nfs/dbraw/zinc/49/53/90/1002495390.db2.gz VFYWCTZVQKBURH-UHFFFAOYSA-N 1 0 401.530 3.823 20 30 HHEDRO COCC1(C#N)CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000499194388 1002584155 /nfs/dbraw/zinc/58/41/55/1002584155.db2.gz VHQRAAYCOOLYMH-TZIWHRDSSA-N 1 0 400.567 3.714 20 30 HHEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000508090675 1002614209 /nfs/dbraw/zinc/61/42/09/1002614209.db2.gz YGQONELPTHHMNG-UHFFFAOYSA-N 1 0 422.577 3.574 20 30 HHEDRO CC(C)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000508206217 1002738822 /nfs/dbraw/zinc/73/88/22/1002738822.db2.gz HIXGSMYKMPRYHE-QHCPKHFHSA-N 1 0 412.578 3.868 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000508276013 1002789024 /nfs/dbraw/zinc/78/90/24/1002789024.db2.gz RVYANNRUVWAGSE-UHFFFAOYSA-N 1 0 406.486 3.919 20 30 HHEDRO C=CCN1CC[C@H]([NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)C1=O ZINC000499548724 1002931019 /nfs/dbraw/zinc/93/10/19/1002931019.db2.gz MCQMVAKSURIEKR-QHCPKHFHSA-N 1 0 406.526 3.648 20 30 HHEDRO COc1ccc(NC(=O)C2([NH2+]CCCC3(C#N)CCOCC3)CCCC2)cc1OC ZINC000499563201 1002942327 /nfs/dbraw/zinc/94/23/27/1002942327.db2.gz LTVGKLMUXDBPCF-UHFFFAOYSA-N 1 0 415.534 3.645 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508465763 1002950877 /nfs/dbraw/zinc/95/08/77/1002950877.db2.gz RKVZUUVMIOGSJG-QZTJIDSGSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508474896 1002958923 /nfs/dbraw/zinc/95/89/23/1002958923.db2.gz WKIXNDWMTOUWSN-NRFANRHFSA-N 1 0 420.605 3.729 20 30 HHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508478847 1002963216 /nfs/dbraw/zinc/96/32/16/1002963216.db2.gz UISVTHNMEDBBJO-OAQYLSRUSA-N 1 0 402.546 3.793 20 30 HHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508497855 1002980715 /nfs/dbraw/zinc/98/07/15/1002980715.db2.gz NURJCCQDYVHCQM-OYRHEFFESA-N 1 0 423.605 3.689 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)o1 ZINC000508646907 1003093973 /nfs/dbraw/zinc/09/39/73/1003093973.db2.gz VTULIFBTDQHATC-JOCHJYFZSA-N 1 0 422.529 3.850 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508706489 1003143717 /nfs/dbraw/zinc/14/37/17/1003143717.db2.gz OZXSRVILXLFSHR-UHFFFAOYSA-N 1 0 417.561 3.976 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[NH+](C)C)cc1 ZINC000508706307 1003143940 /nfs/dbraw/zinc/14/39/40/1003143940.db2.gz JQZPZSRYUMIFRV-HSZRJFAPSA-N 1 0 408.521 3.641 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508793442 1003221905 /nfs/dbraw/zinc/22/19/05/1003221905.db2.gz HUBXHUJDXUVGCB-KRWDZBQOSA-N 1 0 401.580 3.541 20 30 HHEDRO C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508813110 1003238512 /nfs/dbraw/zinc/23/85/12/1003238512.db2.gz NELPUCVJFCSZKY-HXUWFJFHSA-N 1 0 417.561 3.629 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000508834445 1003256146 /nfs/dbraw/zinc/25/61/46/1003256146.db2.gz UQQKUUSTBJLZJY-HNNXBMFYSA-N 1 0 422.360 3.596 20 30 HHEDRO C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508848711 1003269566 /nfs/dbraw/zinc/26/95/66/1003269566.db2.gz ZRFKUBIWRDWZHU-FCHUYYIVSA-N 1 0 407.562 3.774 20 30 HHEDRO C=CC[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000508855408 1003275739 /nfs/dbraw/zinc/27/57/39/1003275739.db2.gz JGZTZNOCNUVPRC-YADARESESA-N 1 0 419.529 3.969 20 30 HHEDRO C=CCn1c(CC2CCCC2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508888938 1003317243 /nfs/dbraw/zinc/31/72/43/1003317243.db2.gz QGYVLYWVZTVNIC-RTBURBONSA-N 1 0 401.599 3.522 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)c1 ZINC000508915193 1003354327 /nfs/dbraw/zinc/35/43/27/1003354327.db2.gz VIYWLAZTCHIVQF-DEOSSOPVSA-N 1 0 419.525 3.967 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508928654 1003373988 /nfs/dbraw/zinc/37/39/88/1003373988.db2.gz AVSRNUTYJIZNDJ-IBGZPJMESA-N 1 0 417.561 3.833 20 30 HHEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508949969 1003404626 /nfs/dbraw/zinc/40/46/26/1003404626.db2.gz JPEARZNKLFEZBK-HDICACEKSA-N 1 0 413.566 3.667 20 30 HHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508995252 1003466294 /nfs/dbraw/zinc/46/62/94/1003466294.db2.gz BMONZNGSTVTICM-KNQAVFIVSA-N 1 0 407.562 3.539 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000509000679 1003472871 /nfs/dbraw/zinc/47/28/71/1003472871.db2.gz YLCDQGGCSKYKBP-MRXNPFEDSA-N 1 0 401.942 3.932 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)CC2)c1 ZINC000509212887 1003628038 /nfs/dbraw/zinc/62/80/38/1003628038.db2.gz RXDSSHCUGYGIOS-UHFFFAOYSA-N 1 0 405.517 3.896 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500350007 1003648453 /nfs/dbraw/zinc/64/84/53/1003648453.db2.gz BBYPWFAMOPQMOT-QGZVFWFLSA-N 1 0 416.591 3.600 20 30 HHEDRO C=CCOc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1OC ZINC000500445305 1003722956 /nfs/dbraw/zinc/72/29/56/1003722956.db2.gz BFVXJHOKYWELDI-LJQANCHMSA-N 1 0 424.541 3.890 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000509506877 1003910892 /nfs/dbraw/zinc/91/08/92/1003910892.db2.gz KCVYICOZXQMWKF-UYAOXDASSA-N 1 0 408.571 3.922 20 30 HHEDRO N#Cc1c(F)cccc1N1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000509536393 1003930176 /nfs/dbraw/zinc/93/01/76/1003930176.db2.gz BHNJIFJVCCOWEU-UHFFFAOYSA-N 1 0 402.473 3.994 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000509553512 1003941351 /nfs/dbraw/zinc/94/13/51/1003941351.db2.gz HQJSQUPEJNHPSF-AZUAARDMSA-N 1 0 409.534 3.502 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)C2)n1 ZINC000500876302 1004021815 /nfs/dbraw/zinc/02/18/15/1004021815.db2.gz PCWCARXXSKRHKB-QHCPKHFHSA-N 1 0 423.605 3.593 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(OC)c1 ZINC000500881269 1004025558 /nfs/dbraw/zinc/02/55/58/1004025558.db2.gz RQBVMCKHAWPWRR-UHFFFAOYSA-N 1 0 400.563 3.917 20 30 HHEDRO C[C@H]1C[C@@H](CCNC(=O)NCCOc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000509787636 1004096656 /nfs/dbraw/zinc/09/66/56/1004096656.db2.gz HTJYUZMECJUWTD-SIKLNZKXSA-N 1 0 406.530 3.537 20 30 HHEDRO C=C(C)C[N@H+](CCC(=O)Nc1ccccc1Br)Cc1ccc(CO)o1 ZINC000512199256 1004100341 /nfs/dbraw/zinc/10/03/41/1004100341.db2.gz VQNAWMMDWKAJCI-UHFFFAOYSA-N 1 0 407.308 3.941 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512211750 1004112850 /nfs/dbraw/zinc/11/28/50/1004112850.db2.gz KPGWWWZKWIKNCO-KKSFZXQISA-N 1 0 423.536 3.602 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000501019280 1004121752 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406.530 3.843 20 30 HHEDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000512346264 1004234004 /nfs/dbraw/zinc/23/40/04/1004234004.db2.gz LVIIBRIXTFJFRF-GOTSBHOMSA-N 1 0 402.498 3.973 20 30 HHEDRO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000501188743 1004265182 /nfs/dbraw/zinc/26/51/82/1004265182.db2.gz NLNAYNXAHLUGBX-UHFFFAOYSA-N 1 0 405.546 3.981 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510099395 1004323309 /nfs/dbraw/zinc/32/33/09/1004323309.db2.gz OLTYBZMKNKGTEW-LAUBAEHRSA-N 1 0 420.557 3.625 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1)C1CC1 ZINC000510105136 1004327538 /nfs/dbraw/zinc/32/75/38/1004327538.db2.gz LGZVQVQLLLMLHU-XMMPIXPASA-N 1 0 402.542 3.521 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(Br)s3)CC2)cc1 ZINC000510120895 1004337992 /nfs/dbraw/zinc/33/79/92/1004337992.db2.gz UEGQEZBLFUWPBP-UHFFFAOYSA-N 1 0 418.360 3.659 20 30 HHEDRO C=CCn1c(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1cccc(C)c1 ZINC000512493269 1004341623 /nfs/dbraw/zinc/34/16/23/1004341623.db2.gz GKBONIIUQCFOGV-JOCHJYFZSA-N 1 0 420.582 3.951 20 30 HHEDRO C=C(C)C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cnn(C(C)C)c1 ZINC000512510945 1004351175 /nfs/dbraw/zinc/35/11/75/1004351175.db2.gz AKKUUZJSPHLISZ-UHFFFAOYSA-N 1 0 413.478 3.749 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512511797 1004352006 /nfs/dbraw/zinc/35/20/06/1004352006.db2.gz LWRLFNIZESDBTJ-ZJSXRUAMSA-N 1 0 423.605 3.621 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501388325 1004384065 /nfs/dbraw/zinc/38/40/65/1004384065.db2.gz UCVMKAYYZZFWFA-PZJWPPBQSA-N 1 0 411.546 3.770 20 30 HHEDRO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)C1CCN(C(=O)c2ccccc2)CC1 ZINC000512560223 1004385665 /nfs/dbraw/zinc/38/56/65/1004385665.db2.gz CLHXLPXELUFLGV-UHFFFAOYSA-N 1 0 401.514 3.723 20 30 HHEDRO C=CCOc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000512579812 1004398083 /nfs/dbraw/zinc/39/80/83/1004398083.db2.gz XEXRVIIZNDDDMM-UHFFFAOYSA-N 1 0 408.542 3.927 20 30 HHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000512590386 1004406001 /nfs/dbraw/zinc/40/60/01/1004406001.db2.gz MTZJVVHAYWBIKD-UHFFFAOYSA-N 1 0 405.498 3.982 20 30 HHEDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000512632236 1004444550 /nfs/dbraw/zinc/44/45/50/1004444550.db2.gz YDERLJKRMVAIJQ-CYBMUJFWSA-N 1 0 404.283 3.931 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000501503210 1004472352 /nfs/dbraw/zinc/47/23/52/1004472352.db2.gz NQVVSVQCVQSLIH-QGZVFWFLSA-N 1 0 400.276 3.763 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000510325734 1004482793 /nfs/dbraw/zinc/48/27/93/1004482793.db2.gz VOJZUQRGMMWQIZ-UHFFFAOYSA-N 1 0 400.885 3.768 20 30 HHEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000510368989 1004515005 /nfs/dbraw/zinc/51/50/05/1004515005.db2.gz IOWQCLLLPVPZNB-WBMJQRKESA-N 1 0 415.437 3.578 20 30 HHEDRO C[C@@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000501605970 1004547519 /nfs/dbraw/zinc/54/75/19/1004547519.db2.gz LAWACWVXRFJXIW-FQEVSTJZSA-N 1 0 402.420 3.757 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1OCCCC#N ZINC000510425615 1004558242 /nfs/dbraw/zinc/55/82/42/1004558242.db2.gz CEZMZOAOUMTPQB-UHFFFAOYSA-N 1 0 413.562 3.848 20 30 HHEDRO N#Cc1ccc(OC2CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000512805785 1004570101 /nfs/dbraw/zinc/57/01/01/1004570101.db2.gz MCUDNBDLWZGUAA-HSZRJFAPSA-N 1 0 423.532 3.832 20 30 HHEDRO CC(C)(C#N)CNC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000512893049 1004659351 /nfs/dbraw/zinc/65/93/51/1004659351.db2.gz ADOJXKOCDROSDF-UHFFFAOYSA-N 1 0 420.557 3.670 20 30 HHEDRO C[C@H]1CN(C2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)CCO1 ZINC000510561187 1004704551 /nfs/dbraw/zinc/70/45/51/1004704551.db2.gz UZYUOLPRQGCRRI-FQEVSTJZSA-N 1 0 405.542 3.822 20 30 HHEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)n2c1 ZINC000513031389 1004768536 /nfs/dbraw/zinc/76/85/36/1004768536.db2.gz FFBWIMSQJGUBCC-KRWDZBQOSA-N 1 0 402.433 3.775 20 30 HHEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1=O ZINC000513035384 1004770731 /nfs/dbraw/zinc/77/07/31/1004770731.db2.gz HLKMIHNHNSBKLF-SFHVURJKSA-N 1 0 415.335 3.561 20 30 HHEDRO CCCC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000510660505 1004785243 /nfs/dbraw/zinc/78/52/43/1004785243.db2.gz ZJVQODRZVCWBIM-UHFFFAOYSA-N 1 0 407.518 3.893 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000513089540 1004799329 /nfs/dbraw/zinc/79/93/29/1004799329.db2.gz PGQBBZDUZJMWOB-UHFFFAOYSA-N 1 0 410.497 3.659 20 30 HHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c1 ZINC000513125880 1004820818 /nfs/dbraw/zinc/82/08/18/1004820818.db2.gz LDVRTEFKRRSNQZ-LJQANCHMSA-N 1 0 414.571 3.962 20 30 HHEDRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000501972060 1004838697 /nfs/dbraw/zinc/83/86/97/1004838697.db2.gz TWKKABCLLCHRRB-QFIPXVFZSA-N 1 0 421.541 3.772 20 30 HHEDRO Cc1oc(NC(=O)C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(C#N)c1C ZINC000513206782 1004861150 /nfs/dbraw/zinc/86/11/50/1004861150.db2.gz ZKOBKTHXOUSQCL-FQEVSTJZSA-N 1 0 421.419 3.717 20 30 HHEDRO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000502191914 1004949231 /nfs/dbraw/zinc/94/92/31/1004949231.db2.gz AKBMCHRJLGWHNQ-MRXNPFEDSA-N 1 0 424.932 3.740 20 30 HHEDRO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502195406 1004951212 /nfs/dbraw/zinc/95/12/12/1004951212.db2.gz MGHLQOCDQMEFSY-UHFFFAOYSA-N 1 0 418.541 3.646 20 30 HHEDRO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000502199724 1004953894 /nfs/dbraw/zinc/95/38/94/1004953894.db2.gz WRIJZHBFIWQHCQ-RBUKOAKNSA-N 1 0 418.541 3.517 20 30 HHEDRO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502200955 1004954588 /nfs/dbraw/zinc/95/45/88/1004954588.db2.gz ZIILPAFXBCDQFI-SFHVURJKSA-N 1 0 418.541 3.649 20 30 HHEDRO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000502214676 1004961522 /nfs/dbraw/zinc/96/15/22/1004961522.db2.gz BDPHFCJJXGVZNM-UHFFFAOYSA-N 1 0 420.435 3.794 20 30 HHEDRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000513490056 1004988372 /nfs/dbraw/zinc/98/83/72/1004988372.db2.gz LHVOVGNQRNDILL-IBGZPJMESA-N 1 0 403.320 3.971 20 30 HHEDRO CC(C)[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000513490057 1004988529 /nfs/dbraw/zinc/98/85/29/1004988529.db2.gz LHVOVGNQRNDILL-LJQANCHMSA-N 1 0 403.320 3.971 20 30 HHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(-c2ccc(C#N)cc2)n1 ZINC000502341970 1005021983 /nfs/dbraw/zinc/02/19/83/1005021983.db2.gz PYDLVTWQZLKDDW-HXUWFJFHSA-N 1 0 400.530 3.871 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000502379758 1005046465 /nfs/dbraw/zinc/04/64/65/1005046465.db2.gz XRZFZTGEWXOCBT-UHFFFAOYSA-N 1 0 412.603 3.654 20 30 HHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000502382454 1005048291 /nfs/dbraw/zinc/04/82/91/1005048291.db2.gz VXJMZSSXGDGDRY-UHFFFAOYSA-N 1 0 406.408 3.748 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000502408554 1005062754 /nfs/dbraw/zinc/06/27/54/1005062754.db2.gz UWHKPUTWKXTRMV-XMMPIXPASA-N 1 0 406.574 3.763 20 30 HHEDRO COc1cc(NC(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000502518172 1005098858 /nfs/dbraw/zinc/09/88/58/1005098858.db2.gz UEEHODGKIVHHSN-UHFFFAOYSA-N 1 0 421.497 3.702 20 30 HHEDRO COc1ccc([C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N2CCCC2)cc1 ZINC000513762414 1005114546 /nfs/dbraw/zinc/11/45/46/1005114546.db2.gz RENGIPIUWBFPAI-VWLOTQADSA-N 1 0 404.558 3.962 20 30 HHEDRO COc1ccc([C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N2CCCC2)cc1 ZINC000513762411 1005114593 /nfs/dbraw/zinc/11/45/93/1005114593.db2.gz RENGIPIUWBFPAI-RUZDIDTESA-N 1 0 404.558 3.962 20 30 HHEDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 ZINC000502564537 1005120723 /nfs/dbraw/zinc/12/07/23/1005120723.db2.gz VRWJDVQALQOOEY-SIKLNZKXSA-N 1 0 414.550 3.583 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@]3(Cc4ccc(Cl)cc4)CCOC3)C2=O)cc1 ZINC000502602566 1005135513 /nfs/dbraw/zinc/13/55/13/1005135513.db2.gz SRSNRMBERVGKHU-JTHBVZDNSA-N 1 0 409.917 3.698 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@]3(Cc4ccc(Cl)cc4)CCOC3)C2=O)cc1 ZINC000502602564 1005135660 /nfs/dbraw/zinc/13/56/60/1005135660.db2.gz SRSNRMBERVGKHU-GMAHTHKFSA-N 1 0 409.917 3.698 20 30 HHEDRO CCC1(CNS(=O)(=O)Cc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000513847923 1005157076 /nfs/dbraw/zinc/15/70/76/1005157076.db2.gz WSTIRVQJDSXMLI-UHFFFAOYSA-N 1 0 411.571 3.670 20 30 HHEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000511484956 1005196937 /nfs/dbraw/zinc/19/69/37/1005196937.db2.gz UUUFIXBSSCFYIS-HXUWFJFHSA-N 1 0 424.932 3.536 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC#Cc2cccc(F)c2)C1 ZINC000513947388 1005198488 /nfs/dbraw/zinc/19/84/88/1005198488.db2.gz WZGSWUASCXULRC-UHFFFAOYSA-N 1 0 403.501 3.715 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc2c(cc1SC)OCCO2)C(C)C ZINC000513972318 1005208158 /nfs/dbraw/zinc/20/81/58/1005208158.db2.gz AFIYQDXICHBZLF-QGZVFWFLSA-N 1 0 405.564 4.000 20 30 HHEDRO N#Cc1ccc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c([N+](=O)[O-])c1 ZINC000511697428 1005281428 /nfs/dbraw/zinc/28/14/28/1005281428.db2.gz KCXZUEDSQBILHW-UHFFFAOYSA-N 1 0 414.469 3.927 20 30 HHEDRO C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000511717687 1005290537 /nfs/dbraw/zinc/29/05/37/1005290537.db2.gz ZDZCLHHSOYJHJB-QFBILLFUSA-N 1 0 424.932 3.567 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]31)CCC2 ZINC000511796058 1005332533 /nfs/dbraw/zinc/33/25/33/1005332533.db2.gz KREHOLGIRXKLFS-HKBOAZHASA-N 1 0 421.566 3.942 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000503140166 1005355755 /nfs/dbraw/zinc/35/57/55/1005355755.db2.gz SBUAKVAHPZPPFN-FPGHNAPASA-N 1 0 413.562 3.760 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC000503406962 1005410690 /nfs/dbraw/zinc/41/06/90/1005410690.db2.gz PGMJVHZZXMWZAG-YWMUFLPLSA-N 1 0 405.564 3.509 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503414455 1005413224 /nfs/dbraw/zinc/41/32/24/1005413224.db2.gz YFALXWQMRKJJPR-PGPPMQCXSA-N 1 0 411.594 3.718 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCCC23CCOCC3)c1C#N ZINC000503416262 1005413806 /nfs/dbraw/zinc/41/38/06/1005413806.db2.gz QNHGOLUAEYFIOK-OAQYLSRUSA-N 1 0 406.530 3.843 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503451580 1005424566 /nfs/dbraw/zinc/42/45/66/1005424566.db2.gz BNSUOMFYAXXUSH-UHFFFAOYSA-N 1 0 405.951 3.744 20 30 HHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000503778671 1005492464 /nfs/dbraw/zinc/49/24/64/1005492464.db2.gz NZQSOMJOGLVXCB-UHFFFAOYSA-N 1 0 406.530 3.763 20 30 HHEDRO CCOc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(Cl)c1OC ZINC000503929281 1005514006 /nfs/dbraw/zinc/51/40/06/1005514006.db2.gz MOBOBEDLTZSJFJ-LJQANCHMSA-N 1 0 413.905 3.904 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@H]1c1ccccc1 ZINC000534017643 1005987476 /nfs/dbraw/zinc/98/74/76/1005987476.db2.gz FIGOPZKKGLLNOD-NZQKXSOJSA-N 1 0 401.466 3.905 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(S(=O)(=O)CCCC#N)cc3)n2)cc1 ZINC000531348662 1006140067 /nfs/dbraw/zinc/14/00/67/1006140067.db2.gz OUGDEQYOXJAIKB-UHFFFAOYSA-N 1 0 410.499 3.543 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)CCS4(=O)=O)c2)c1 ZINC000531557529 1006272695 /nfs/dbraw/zinc/27/26/95/1006272695.db2.gz LCMKYVHGFFYYAQ-UHFFFAOYSA-N 1 0 418.518 3.757 20 30 HHEDRO C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000534384198 1006356330 /nfs/dbraw/zinc/35/63/30/1006356330.db2.gz KWLQHHQDYULJNK-NMNUPHIUSA-N 1 0 411.594 3.598 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000532103473 1006637005 /nfs/dbraw/zinc/63/70/05/1006637005.db2.gz RSYGFOIZAKORPN-UHFFFAOYSA-N 1 0 414.575 3.640 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000515759254 1006649231 /nfs/dbraw/zinc/64/92/31/1006649231.db2.gz FEONXWKUZCLQCD-HUUCEWRRSA-N 1 0 417.497 3.613 20 30 HHEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000538390562 1006660585 /nfs/dbraw/zinc/66/05/85/1006660585.db2.gz BTRPGIYMQBZXMR-UZUQRXQVSA-N 1 0 405.498 3.834 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538391495 1006661290 /nfs/dbraw/zinc/66/12/90/1006661290.db2.gz GGIHVWXUBJFYEM-RPWUZVMVSA-N 1 0 420.532 3.832 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000534689406 1006671879 /nfs/dbraw/zinc/67/18/79/1006671879.db2.gz BCZRKSNOZDXGDG-KRWDZBQOSA-N 1 0 424.511 3.610 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc4c(cc3OC(F)F)OCO4)C2)c(F)c1 ZINC000538405178 1006673418 /nfs/dbraw/zinc/67/34/18/1006673418.db2.gz YTWKXGIJBQCUBK-OAHLLOKOSA-N 1 0 419.403 3.786 20 30 HHEDRO CN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000538408589 1006675494 /nfs/dbraw/zinc/67/54/94/1006675494.db2.gz XXZTYUWTNIOBFW-ZEQRLZLVSA-N 1 0 410.512 3.836 20 30 HHEDRO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccccc2)no1 ZINC000538408576 1006675696 /nfs/dbraw/zinc/67/56/96/1006675696.db2.gz JPDBIXFVSYTJAI-GOSISDBHSA-N 1 0 401.514 3.966 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](Cc2c(C)cc(C)cc2C)C(F)(F)F)c1C#N ZINC000534797539 1006801560 /nfs/dbraw/zinc/80/15/60/1006801560.db2.gz JJMVWAMCURKFDV-QGZVFWFLSA-N 1 0 421.467 3.718 20 30 HHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000534954393 1006999046 /nfs/dbraw/zinc/99/90/46/1006999046.db2.gz UVDCUTNLBMGGLM-KRWDZBQOSA-N 1 0 411.333 3.549 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c(OC)c1 ZINC000538781166 1007062449 /nfs/dbraw/zinc/06/24/49/1007062449.db2.gz LETBZHFSBOUWHP-NHCUHLMSSA-N 1 0 421.541 3.678 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2NCc2ccccc2Cl)c1C#N ZINC000535004522 1007063227 /nfs/dbraw/zinc/06/32/27/1007063227.db2.gz ANXSWJACKJDAKN-UHFFFAOYSA-N 1 0 422.920 3.951 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000516510235 1007120194 /nfs/dbraw/zinc/12/01/94/1007120194.db2.gz VYJXSCKQTPLGCB-OALUTQOASA-N 1 0 421.541 3.740 20 30 HHEDRO Cc1cccnc1[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000532707887 1007122339 /nfs/dbraw/zinc/12/23/39/1007122339.db2.gz CFTPOCJOFYWOIO-FQEVSTJZSA-N 1 0 403.448 3.863 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1C#N ZINC000516553616 1007152247 /nfs/dbraw/zinc/15/22/47/1007152247.db2.gz FLXDPIHHNBQVSX-UHFFFAOYSA-N 1 0 423.904 3.918 20 30 HHEDRO C[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCCN(CCOc2ccc(C#N)cc2)CC1 ZINC000532825397 1007208863 /nfs/dbraw/zinc/20/88/63/1007208863.db2.gz NQVMTWAKIWBCLO-HSZRJFAPSA-N 1 0 418.541 3.674 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CC[NH+](C)C)CC1 ZINC000532926036 1007298006 /nfs/dbraw/zinc/29/80/06/1007298006.db2.gz IELKGOGTIROXMC-INIZCTEOSA-N 1 0 402.608 3.879 20 30 HHEDRO COc1ccc([C@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000516847334 1007321958 /nfs/dbraw/zinc/32/19/58/1007321958.db2.gz RKHDENRIEICDPL-NHCUHLMSSA-N 1 0 405.498 3.908 20 30 HHEDRO C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532957803 1007324016 /nfs/dbraw/zinc/32/40/16/1007324016.db2.gz DOPCJVPOLRRPMB-QHCPKHFHSA-N 1 0 419.504 3.959 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000516994173 1007362983 /nfs/dbraw/zinc/36/29/83/1007362983.db2.gz FPSOFEKHKYMOPG-OAQYLSRUSA-N 1 0 408.502 3.542 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533042273 1007400692 /nfs/dbraw/zinc/40/06/92/1007400692.db2.gz IRPKCNOGVVXVNK-RDJZCZTQSA-N 1 0 415.925 3.578 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000533048999 1007412229 /nfs/dbraw/zinc/41/22/29/1007412229.db2.gz QEVCXROZNYKZKU-GOSISDBHSA-N 1 0 419.460 3.956 20 30 HHEDRO C=C[C@H](CC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1)c1ccccc1 ZINC000535384924 1007449329 /nfs/dbraw/zinc/44/93/29/1007449329.db2.gz FYQIBWNAYXDSCZ-OAQYLSRUSA-N 1 0 411.590 3.528 20 30 HHEDRO C=C[C@@H](CC(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1)c1ccccc1 ZINC000535384923 1007449363 /nfs/dbraw/zinc/44/93/63/1007449363.db2.gz FYQIBWNAYXDSCZ-NRFANRHFSA-N 1 0 411.590 3.528 20 30 HHEDRO COc1ccc(C#N)cc1CN1CCC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2OC)CC1 ZINC000533148622 1007486163 /nfs/dbraw/zinc/48/61/63/1007486163.db2.gz YPKXPOJSBVNESO-HSZRJFAPSA-N 1 0 418.541 3.934 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000539208460 1007501646 /nfs/dbraw/zinc/50/16/46/1007501646.db2.gz HGRFMLLBEVBYEH-QHCPKHFHSA-N 1 0 420.557 3.868 20 30 HHEDRO Cc1ccc2[nH]c([C@@H]3CCCN(CC(=O)N(CCC#N)c4ccccc4)C3)nc2c1 ZINC000539221128 1007513711 /nfs/dbraw/zinc/51/37/11/1007513711.db2.gz UATJFGJOPBLFAS-LJQANCHMSA-N 1 0 401.514 3.998 20 30 HHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)NCc3cccc(C#N)c3)cc2)C[C@@H]1C ZINC000539242409 1007535643 /nfs/dbraw/zinc/53/56/43/1007535643.db2.gz KXZYAFWOXYMEEX-PMACEKPBSA-N 1 0 420.557 3.567 20 30 HHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000539251944 1007544968 /nfs/dbraw/zinc/54/49/68/1007544968.db2.gz GDZWWLIFUATGCB-GCJKJVERSA-N 1 0 403.482 3.623 20 30 HHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000539251943 1007545067 /nfs/dbraw/zinc/54/50/67/1007545067.db2.gz GDZWWLIFUATGCB-AVRDEDQJSA-N 1 0 403.482 3.623 20 30 HHEDRO C[C@@H](c1nc(Cc2ccccc2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000533222872 1007546680 /nfs/dbraw/zinc/54/66/80/1007546680.db2.gz GHHPVMGVYTUCCC-IBGZPJMESA-N 1 0 401.514 3.801 20 30 HHEDRO N#Cc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000533237239 1007557445 /nfs/dbraw/zinc/55/74/45/1007557445.db2.gz HMGNIEKEOHMHAB-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)c1C#N ZINC000535503006 1007559049 /nfs/dbraw/zinc/55/90/49/1007559049.db2.gz BPHGMNKWPHXOPA-FQEVSTJZSA-N 1 0 401.514 3.788 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276818 1007571122 /nfs/dbraw/zinc/57/11/22/1007571122.db2.gz NWLKKVROOKRSNG-NPMXOYFQSA-N 1 0 408.477 3.537 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000533259874 1007576558 /nfs/dbraw/zinc/57/65/58/1007576558.db2.gz MAKXZTKEOCQMHL-ZWKOTPCHSA-N 1 0 414.619 3.879 20 30 HHEDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000533268511 1007584178 /nfs/dbraw/zinc/58/41/78/1007584178.db2.gz RGCPYHUDJJTATC-LEWJYISDSA-N 1 0 412.578 3.567 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000533277327 1007589438 /nfs/dbraw/zinc/58/94/38/1007589438.db2.gz FSOBJKCTKWRVOY-OALUTQOASA-N 1 0 400.592 3.970 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc([S@@](C)=O)cc1 ZINC000539370964 1007675054 /nfs/dbraw/zinc/67/50/54/1007675054.db2.gz XORVILAEUFPJDS-GMYLUUGSSA-N 1 0 415.584 3.915 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533375371 1007687911 /nfs/dbraw/zinc/68/79/11/1007687911.db2.gz SOSPVNSEQSXGPY-IXDOHACOSA-N 1 0 400.592 3.774 20 30 HHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000517487467 1007712952 /nfs/dbraw/zinc/71/29/52/1007712952.db2.gz PGYZRMVHSQRMRE-UHFFFAOYSA-N 1 0 416.525 3.851 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1CCOCC1 ZINC000539422460 1007728487 /nfs/dbraw/zinc/72/84/87/1007728487.db2.gz OAKUKNVUZAGAEZ-QFIPXVFZSA-N 1 0 420.557 3.961 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H](OCC(F)(F)F)C2)sc2c1CCCC2 ZINC000533428278 1007738627 /nfs/dbraw/zinc/73/86/27/1007738627.db2.gz BHXUANIKQLUDKZ-ZDUSSCGKSA-N 1 0 415.481 3.870 20 30 HHEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)C ZINC000539490956 1007802482 /nfs/dbraw/zinc/80/24/82/1007802482.db2.gz JDFNBENSMHJXBX-REWPJTCUSA-N 1 0 410.587 3.752 20 30 HHEDRO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000539508123 1007817684 /nfs/dbraw/zinc/81/76/84/1007817684.db2.gz LJHAQWGEGPSXMI-IBGZPJMESA-N 1 0 411.571 3.971 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533511461 1007830096 /nfs/dbraw/zinc/83/00/96/1007830096.db2.gz LQVYZVLXMDDIMQ-VQQMMKBISA-N 1 0 400.542 3.798 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(F)c1 ZINC000517663575 1007876314 /nfs/dbraw/zinc/87/63/14/1007876314.db2.gz DITZHVRUDIDGMU-NRFANRHFSA-N 1 0 404.445 3.917 20 30 HHEDRO COc1ccc(CN2CCC[C@@H]([N@H+](C)Cc3ccc(OC)c(C#N)c3)CC2)cc1C#N ZINC000533607064 1007906814 /nfs/dbraw/zinc/90/68/14/1007906814.db2.gz UHLIFJQSVSJQLH-HSZRJFAPSA-N 1 0 418.541 3.934 20 30 HHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C2)CC1 ZINC000535900422 1007919913 /nfs/dbraw/zinc/91/99/13/1007919913.db2.gz BJQQVFQIKHQSNN-HSZRJFAPSA-N 1 0 403.526 3.941 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)[NH+](C)C)cc1 ZINC000517743758 1007942443 /nfs/dbraw/zinc/94/24/43/1007942443.db2.gz JCSJTUVIPICTOL-DEOSSOPVSA-N 1 0 419.573 3.645 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000535969900 1008008233 /nfs/dbraw/zinc/00/82/33/1008008233.db2.gz CFSBAWJTQUYOOL-OAQYLSRUSA-N 1 0 410.562 3.696 20 30 HHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(COc4ccc(C#N)cc4)c3)C2)CC1 ZINC000533698297 1008021725 /nfs/dbraw/zinc/02/17/25/1008021725.db2.gz CIWCFTYRLXGGIV-HSZRJFAPSA-N 1 0 403.526 3.941 20 30 HHEDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccc1=O ZINC000535983550 1008024094 /nfs/dbraw/zinc/02/40/94/1008024094.db2.gz MAKAMTMHEPWRIM-UHFFFAOYSA-N 1 0 416.481 3.521 20 30 HHEDRO C=CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831185 1008124080 /nfs/dbraw/zinc/12/40/80/1008124080.db2.gz AXEJBJYURMNIQH-SFHVURJKSA-N 1 0 413.485 3.994 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000533809619 1008127860 /nfs/dbraw/zinc/12/78/60/1008127860.db2.gz ZJPSJKAITVZVSA-FQEVSTJZSA-N 1 0 419.554 3.900 20 30 HHEDRO CC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)Cc2ccccc2C1 ZINC000539879738 1008157242 /nfs/dbraw/zinc/15/72/42/1008157242.db2.gz PAZQABOEVCVJPQ-UHFFFAOYSA-N 1 0 402.542 3.581 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000539897400 1008171420 /nfs/dbraw/zinc/17/14/20/1008171420.db2.gz MDCWBTAAFQATIE-FUHWJXTLSA-N 1 0 409.368 3.939 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)CC1 ZINC000518241861 1008222429 /nfs/dbraw/zinc/22/24/29/1008222429.db2.gz JAJYIVDEEZYQTQ-UHFFFAOYSA-N 1 0 404.514 3.602 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1OC ZINC000518270158 1008234702 /nfs/dbraw/zinc/23/47/02/1008234702.db2.gz XUDAFEUWCLKNKQ-MRXNPFEDSA-N 1 0 418.335 3.768 20 30 HHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000540053132 1008260643 /nfs/dbraw/zinc/26/06/43/1008260643.db2.gz SJXAMIFNQUHFJC-SFHVURJKSA-N 1 0 401.555 3.524 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000540104437 1008290280 /nfs/dbraw/zinc/29/02/80/1008290280.db2.gz WXAGBSIUGQOHGX-UHFFFAOYSA-N 1 0 406.530 3.869 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000518472367 1008320452 /nfs/dbraw/zinc/32/04/52/1008320452.db2.gz QAAXAHIRAXDINA-UHFFFAOYSA-N 1 0 415.497 3.631 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000518496175 1008328229 /nfs/dbraw/zinc/32/82/29/1008328229.db2.gz MHFQSHCNDARPCT-UHFFFAOYSA-N 1 0 403.324 3.610 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000518496857 1008328236 /nfs/dbraw/zinc/32/82/36/1008328236.db2.gz KGBCLUQKYUIXCF-UHFFFAOYSA-N 1 0 421.379 3.654 20 30 HHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@H]1C ZINC000540343587 1008389990 /nfs/dbraw/zinc/38/99/90/1008389990.db2.gz XVYJTZNVQXWGFK-WOJBJXKFSA-N 1 0 420.557 3.567 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000540363470 1008400309 /nfs/dbraw/zinc/40/03/09/1008400309.db2.gz NPMDIUHKUDFHSI-CQSZACIVSA-N 1 0 412.433 3.624 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518751263 1008413935 /nfs/dbraw/zinc/41/39/35/1008413935.db2.gz MIXHVWXYFLCBQR-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO COC[C@H]([NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000540409120 1008420726 /nfs/dbraw/zinc/42/07/26/1008420726.db2.gz XIMSYXCYDAIWHE-QFIPXVFZSA-N 1 0 420.513 3.924 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000540431013 1008430358 /nfs/dbraw/zinc/43/03/58/1008430358.db2.gz WOPDRSAPVBWVTF-IAGOWNOFSA-N 1 0 420.542 3.951 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-n2ccnn2)cc1 ZINC000540431050 1008430478 /nfs/dbraw/zinc/43/04/78/1008430478.db2.gz WDJFQKRINBSDIM-HNNXBMFYSA-N 1 0 420.542 3.759 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000542980321 1008556990 /nfs/dbraw/zinc/55/69/90/1008556990.db2.gz HGJOYQMZDSTUAS-KPOHSRMJSA-N 1 0 401.507 3.549 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549037935 1008605785 /nfs/dbraw/zinc/60/57/85/1008605785.db2.gz XFFMTHCTVVHFFX-QFIXIFRTSA-N 1 0 408.949 3.601 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000519209634 1008614507 /nfs/dbraw/zinc/61/45/07/1008614507.db2.gz VIJKAKUPSUCGLW-UHFFFAOYSA-N 1 0 420.557 3.637 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000519271058 1008679907 /nfs/dbraw/zinc/67/99/07/1008679907.db2.gz LCIXDSMYBNXHIC-UHFFFAOYSA-N 1 0 416.525 3.928 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549115549 1008682105 /nfs/dbraw/zinc/68/21/05/1008682105.db2.gz JHRCASMYMWHXQQ-HIFRSBDPSA-N 1 0 402.354 3.746 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(I)cc1 ZINC000549175001 1008748004 /nfs/dbraw/zinc/74/80/04/1008748004.db2.gz XLWDOWDXAQOFIT-CHWSQXEVSA-N 1 0 419.266 3.841 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000519383105 1008777575 /nfs/dbraw/zinc/77/75/75/1008777575.db2.gz IIUIZKYECJGIEK-JOCHJYFZSA-N 1 0 410.562 3.983 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549251178 1008821729 /nfs/dbraw/zinc/82/17/29/1008821729.db2.gz OWHKWVGGPZNTDX-GOSISDBHSA-N 1 0 413.566 3.707 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549260604 1008831284 /nfs/dbraw/zinc/83/12/84/1008831284.db2.gz HDKCGSBNKJZUIM-FQEVSTJZSA-N 1 0 417.561 3.976 20 30 HHEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000549340706 1008920377 /nfs/dbraw/zinc/92/03/77/1008920377.db2.gz YFZOMOOEOJREFH-LJQANCHMSA-N 1 0 416.529 3.648 20 30 HHEDRO CSC1(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC[NH+](C)CC1 ZINC000519617673 1008932034 /nfs/dbraw/zinc/93/20/34/1008932034.db2.gz SZKVTIHIRARVIG-UHFFFAOYSA-N 1 0 409.555 3.694 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)CC1 ZINC000543352658 1008940576 /nfs/dbraw/zinc/94/05/76/1008940576.db2.gz USYSAVYXWKJVMQ-IBGZPJMESA-N 1 0 414.598 3.782 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549376575 1008960143 /nfs/dbraw/zinc/96/01/43/1008960143.db2.gz DJBCCRRRHVJZID-UHFFFAOYSA-N 1 0 422.577 3.556 20 30 HHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000519756859 1008995760 /nfs/dbraw/zinc/99/57/60/1008995760.db2.gz BTRCCEGQPZWTKP-FQEVSTJZSA-N 1 0 402.542 3.873 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000519783693 1009004623 /nfs/dbraw/zinc/00/46/23/1009004623.db2.gz AOUHSSFVPODRCG-QAPCUYQASA-N 1 0 401.942 3.930 20 30 HHEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000549426421 1009015034 /nfs/dbraw/zinc/01/50/34/1009015034.db2.gz RSWPUPATWMSYDB-UHFFFAOYSA-N 1 0 402.420 3.675 20 30 HHEDRO COC(=O)C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000543463394 1009051287 /nfs/dbraw/zinc/05/12/87/1009051287.db2.gz LUAXXGMINPLDJQ-GOSISDBHSA-N 1 0 417.575 3.929 20 30 HHEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CCN2C2CC2)c1 ZINC000549470846 1009064308 /nfs/dbraw/zinc/06/43/08/1009064308.db2.gz DXDNPHPLGYBAPV-GGAORHGYSA-N 1 0 415.497 3.684 20 30 HHEDRO CC(C)C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(C#N)cc1 ZINC000519908220 1009069407 /nfs/dbraw/zinc/06/94/07/1009069407.db2.gz MZTDBSZEQVBXMQ-UHFFFAOYSA-N 1 0 404.514 3.782 20 30 HHEDRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccs1 ZINC000543487191 1009076612 /nfs/dbraw/zinc/07/66/12/1009076612.db2.gz YDOMZBVBSNWMGO-QZTJIDSGSA-N 1 0 416.616 3.895 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549654363 1009282310 /nfs/dbraw/zinc/28/23/10/1009282310.db2.gz OWMUHPROINBCAC-QFIPXVFZSA-N 1 0 423.561 3.679 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000549675295 1009307058 /nfs/dbraw/zinc/30/70/58/1009307058.db2.gz GJSSBIUBSSQCHJ-HSZRJFAPSA-N 1 0 423.605 3.945 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000520161649 1009310124 /nfs/dbraw/zinc/31/01/24/1009310124.db2.gz JSYPVABIFGJYJE-UHFFFAOYSA-N 1 0 405.546 3.785 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549688980 1009318229 /nfs/dbraw/zinc/31/82/29/1009318229.db2.gz TZMMDDYIOBBFOM-KNQAVFIVSA-N 1 0 423.561 3.679 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000549697410 1009327384 /nfs/dbraw/zinc/32/73/84/1009327384.db2.gz CECSIOGGUHFAEH-IBGZPJMESA-N 1 0 411.598 3.736 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NCc3cccc(C[NH+]4CCCC4)c3)n2)c(F)c1 ZINC000543883820 1009459643 /nfs/dbraw/zinc/45/96/43/1009459643.db2.gz AHJOOZUNTOATHA-UHFFFAOYSA-N 1 0 418.476 3.801 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000543892303 1009472363 /nfs/dbraw/zinc/47/23/63/1009472363.db2.gz IOVLQNWEDGQGKV-GJZGRUSLSA-N 1 0 400.914 3.639 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)CC2)c1 ZINC000520546538 1009631459 /nfs/dbraw/zinc/63/14/59/1009631459.db2.gz KZFVZCXKBNTXKI-OAQYLSRUSA-N 1 0 421.516 3.979 20 30 HHEDRO COc1cc(C#N)ccc1NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000546707105 1009691058 /nfs/dbraw/zinc/69/10/58/1009691058.db2.gz AJXZBOJTQYUEDD-KRWDZBQOSA-N 1 0 408.502 3.588 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C[C@@H]1CC=CCC1 ZINC000544106514 1009716775 /nfs/dbraw/zinc/71/67/75/1009716775.db2.gz OGXYTXRBFOAYOZ-RTBURBONSA-N 1 0 410.562 3.644 20 30 HHEDRO CS[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@@H]1[NH+](C)C ZINC000546843697 1009802068 /nfs/dbraw/zinc/80/20/68/1009802068.db2.gz BCGITNWHQXTESE-VXKWHMMOSA-N 1 0 424.570 3.955 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000544335995 1009960290 /nfs/dbraw/zinc/96/02/90/1009960290.db2.gz LGDXOSJQVKOSNL-IBGZPJMESA-N 1 0 411.477 3.573 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000550802564 1010189371 /nfs/dbraw/zinc/18/93/71/1010189371.db2.gz IHVFFNSWNRAWFX-LJQANCHMSA-N 1 0 416.447 3.647 20 30 HHEDRO COc1cc(CCC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000521195054 1010222741 /nfs/dbraw/zinc/22/27/41/1010222741.db2.gz TVURVZZVOLDLPB-UHFFFAOYSA-N 1 0 421.541 3.536 20 30 HHEDRO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)CC2 ZINC000521196574 1010223953 /nfs/dbraw/zinc/22/39/53/1010223953.db2.gz NNCDRLWQFPHGAK-UHFFFAOYSA-N 1 0 421.541 3.618 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000547293146 1010238144 /nfs/dbraw/zinc/23/81/44/1010238144.db2.gz OWUVZQIPGZMLTH-FQEVSTJZSA-N 1 0 413.315 3.850 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000550979004 1010295278 /nfs/dbraw/zinc/29/52/78/1010295278.db2.gz HDFQYJKAHXKGRB-RBUKOAKNSA-N 1 0 418.541 3.515 20 30 HHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ccnn2-c2ccc(C#N)cc2)[C@H](C(F)(F)F)C1 ZINC000551113125 1010377568 /nfs/dbraw/zinc/37/75/68/1010377568.db2.gz VNYYQSCNCIFTBC-HZPDHXFCSA-N 1 0 405.424 3.591 20 30 HHEDRO C=CCCCCNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000521514278 1010428781 /nfs/dbraw/zinc/42/87/81/1010428781.db2.gz QSKPVAKKOAUPSJ-VCYXJBJXSA-N 1 0 417.981 3.843 20 30 HHEDRO CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544848653 1010433206 /nfs/dbraw/zinc/43/32/06/1010433206.db2.gz CXUZYRMXPBTWAD-QFIPXVFZSA-N 1 0 421.541 3.849 20 30 HHEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c1 ZINC000551232173 1010454616 /nfs/dbraw/zinc/45/46/16/1010454616.db2.gz ZCXWASXTMPBOPU-XMMPIXPASA-N 1 0 405.498 3.766 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c(OC)c1 ZINC000548026698 1010505127 /nfs/dbraw/zinc/50/51/27/1010505127.db2.gz JMBHYIZVUBSVSL-IBGZPJMESA-N 1 0 403.469 3.616 20 30 HHEDRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551401237 1010562658 /nfs/dbraw/zinc/56/26/58/1010562658.db2.gz ADUKDVDDINNAPM-UHFFFAOYSA-N 1 0 404.333 3.620 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCN(c4ccc(F)c(F)c4)CC3)C2=O)cc1 ZINC000551448490 1010591874 /nfs/dbraw/zinc/59/18/74/1010591874.db2.gz UPIMJLLJMQLYCE-JOCHJYFZSA-N 1 0 410.468 3.544 20 30 HHEDRO CC(C)[C@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCN(C)CC1 ZINC000521811148 1010635666 /nfs/dbraw/zinc/63/56/66/1010635666.db2.gz VMPZPFTXFCXHIO-QHCPKHFHSA-N 1 0 421.545 3.744 20 30 HHEDRO CC(C)[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(Br)cc1 ZINC000521815028 1010637371 /nfs/dbraw/zinc/63/73/71/1010637371.db2.gz ZSICETPKYUTMRC-UHFFFAOYSA-N 1 0 400.320 3.848 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000548831705 1010740164 /nfs/dbraw/zinc/74/01/64/1010740164.db2.gz HDDVJULYQUFPKX-IBGZPJMESA-N 1 0 405.546 3.778 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ccc1Cl ZINC000551708499 1010752352 /nfs/dbraw/zinc/75/23/52/1010752352.db2.gz VSAONLUAGFRFQI-JOCHJYFZSA-N 1 0 424.976 3.754 20 30 HHEDRO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000522177398 1010849492 /nfs/dbraw/zinc/84/94/92/1010849492.db2.gz CCTWTTLOROVYPH-ZDUSSCGKSA-N 1 0 416.747 3.564 20 30 HHEDRO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000522197236 1010861191 /nfs/dbraw/zinc/86/11/91/1010861191.db2.gz QVGLPINMMWSGBH-QGZVFWFLSA-N 1 0 407.283 3.722 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)CC1 ZINC000522484838 1011040827 /nfs/dbraw/zinc/04/08/27/1011040827.db2.gz HCAYCSMFOJCVNO-LJQANCHMSA-N 1 0 421.541 3.922 20 30 HHEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000540589799 1011246528 /nfs/dbraw/zinc/24/65/28/1011246528.db2.gz LRHZKTXDBFKODS-ASSNKEHSSA-N 1 0 423.538 3.948 20 30 HHEDRO COc1cccc([C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N2CCCC2)c1 ZINC000540596871 1011252467 /nfs/dbraw/zinc/25/24/67/1011252467.db2.gz GKYYMVVXWRLZSI-SANMLTNESA-N 1 0 418.585 3.958 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](CO)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000540609264 1011260873 /nfs/dbraw/zinc/26/08/73/1011260873.db2.gz ZNCFVROOYVOZOR-NRFANRHFSA-N 1 0 403.448 3.865 20 30 HHEDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1CCC#N ZINC000540816052 1011477145 /nfs/dbraw/zinc/47/71/45/1011477145.db2.gz YBACBXARCBHPDO-KXBFYZLASA-N 1 0 418.904 3.712 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1C#N ZINC000536298907 1011485257 /nfs/dbraw/zinc/48/52/57/1011485257.db2.gz GMHBWGKPFDULAB-UHFFFAOYSA-N 1 0 405.527 3.978 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000540826434 1011489987 /nfs/dbraw/zinc/48/99/87/1011489987.db2.gz GEJYZALNKXEBRC-QFIPXVFZSA-N 1 0 424.520 3.934 20 30 HHEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCCC1 ZINC000523078299 1011547418 /nfs/dbraw/zinc/54/74/18/1011547418.db2.gz FTFGEXYVFWKHFW-JOCHJYFZSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000536343323 1011547565 /nfs/dbraw/zinc/54/75/65/1011547565.db2.gz JSNURYIPFVSLAT-MRXNPFEDSA-N 1 0 402.502 3.741 20 30 HHEDRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000536343320 1011547729 /nfs/dbraw/zinc/54/77/29/1011547729.db2.gz JSNURYIPFVSLAT-INIZCTEOSA-N 1 0 402.502 3.741 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000536375783 1011584816 /nfs/dbraw/zinc/58/48/16/1011584816.db2.gz YHPLDTGXNXACRO-VXKWHMMOSA-N 1 0 411.505 3.590 20 30 HHEDRO CC(C)S(=O)(=O)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000540973097 1011608881 /nfs/dbraw/zinc/60/88/81/1011608881.db2.gz WAPMRPGDTFLIFW-UHFFFAOYSA-N 1 0 411.571 3.958 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000540979641 1011612054 /nfs/dbraw/zinc/61/20/54/1011612054.db2.gz JKDDIYJWVLIMQD-WMZOPIPTSA-N 1 0 418.476 3.668 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541123312 1011778835 /nfs/dbraw/zinc/77/88/35/1011778835.db2.gz MPWIXLJEXGYOCZ-BBFKWACYSA-N 1 0 401.557 3.524 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129163 1011787801 /nfs/dbraw/zinc/78/78/01/1011787801.db2.gz UMWDXBZBUJMJBL-ZWKOTPCHSA-N 1 0 409.452 3.707 20 30 HHEDRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000541137451 1011796689 /nfs/dbraw/zinc/79/66/89/1011796689.db2.gz AYVBKFPRFDZFBQ-UHFFFAOYSA-N 1 0 404.942 3.511 20 30 HHEDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541155769 1011816428 /nfs/dbraw/zinc/81/64/28/1011816428.db2.gz DKFGYAKYWYAUSP-IBGZPJMESA-N 1 0 420.557 3.821 20 30 HHEDRO N#CCCn1cc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccncc2)n1 ZINC000551833908 1011991418 /nfs/dbraw/zinc/99/14/18/1011991418.db2.gz HVUKYEIANAWVIM-UHFFFAOYSA-N 1 0 422.483 3.849 20 30 HHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000552031871 1012056444 /nfs/dbraw/zinc/05/64/44/1012056444.db2.gz LHAMOJHEZPIXBT-NRFANRHFSA-N 1 0 422.525 3.713 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000552031872 1012056798 /nfs/dbraw/zinc/05/67/98/1012056798.db2.gz LHAMOJHEZPIXBT-OAQYLSRUSA-N 1 0 422.525 3.713 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000541380436 1012098313 /nfs/dbraw/zinc/09/83/13/1012098313.db2.gz LCPUKQGSIPUFPH-GGAORHGYSA-N 1 0 410.493 3.591 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3OCC3CC3)CC2)cc1 ZINC000523567084 1012106745 /nfs/dbraw/zinc/10/67/45/1012106745.db2.gz OYVVMRWMSBBHCP-UHFFFAOYSA-N 1 0 418.541 3.765 20 30 HHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000552145602 1012166933 /nfs/dbraw/zinc/16/69/33/1012166933.db2.gz VYXBOISMHUQQOY-JXFKEZNVSA-N 1 0 409.313 3.512 20 30 HHEDRO C[NH+](C)C[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000552210748 1012223576 /nfs/dbraw/zinc/22/35/76/1012223576.db2.gz UGPARHDZLGKJEW-LJQANCHMSA-N 1 0 401.963 3.906 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536943548 1012241771 /nfs/dbraw/zinc/24/17/71/1012241771.db2.gz SSHJWMSDTGTRDH-NHCUHLMSSA-N 1 0 422.976 3.954 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536943547 1012242626 /nfs/dbraw/zinc/24/26/26/1012242626.db2.gz SSHJWMSDTGTRDH-LEWJYISDSA-N 1 0 422.976 3.954 20 30 HHEDRO Cc1ccc(C(=O)N2CCC([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CC2)cc1 ZINC000552249849 1012259719 /nfs/dbraw/zinc/25/97/19/1012259719.db2.gz MXBOGHQMCGTCIW-UHFFFAOYSA-N 1 0 402.542 3.730 20 30 HHEDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1OC ZINC000552282060 1012294385 /nfs/dbraw/zinc/29/43/85/1012294385.db2.gz TZAFKCZOLMBWNN-IIBYNOLFSA-N 1 0 407.514 3.600 20 30 HHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3ccc(C#N)cc3)c2)cc1 ZINC000523734672 1012353640 /nfs/dbraw/zinc/35/36/40/1012353640.db2.gz BQKOQYKKGCXDAW-UHFFFAOYSA-N 1 0 407.495 3.657 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000541575315 1012365597 /nfs/dbraw/zinc/36/55/97/1012365597.db2.gz XJFNBSYMGNHVNA-UHFFFAOYSA-N 1 0 422.529 3.954 20 30 HHEDRO CC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000537051709 1012379152 /nfs/dbraw/zinc/37/91/52/1012379152.db2.gz FMFIPFWEFJDXGN-QFIPXVFZSA-N 1 0 407.514 3.679 20 30 HHEDRO C[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601598 1012398023 /nfs/dbraw/zinc/39/80/23/1012398023.db2.gz IVPKBBHOYDQDMS-QZTJIDSGSA-N 1 0 402.970 3.829 20 30 HHEDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000537097555 1012459768 /nfs/dbraw/zinc/45/97/68/1012459768.db2.gz TXKZZQYPHFVDQV-CACYBRCYSA-N 1 0 401.551 3.982 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000537109038 1012482147 /nfs/dbraw/zinc/48/21/47/1012482147.db2.gz UNRORBZRHDRFJA-RTBURBONSA-N 1 0 404.514 3.799 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(-n2cccn2)cc1 ZINC000537136081 1012522758 /nfs/dbraw/zinc/52/27/58/1012522758.db2.gz JQDSILJGFMKVNH-CABCVRRESA-N 1 0 405.527 3.972 20 30 HHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)c3ccc(CC#N)cc3)cc2)C[C@H]1C ZINC000537140981 1012532668 /nfs/dbraw/zinc/53/26/68/1012532668.db2.gz CZYOXYHEGMNCGX-BGYRXZFFSA-N 1 0 405.542 3.692 20 30 HHEDRO C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cccc2ccccc21 ZINC000537161619 1012560878 /nfs/dbraw/zinc/56/08/78/1012560878.db2.gz QSLZOAHGFLZSES-QFIPXVFZSA-N 1 0 418.566 3.742 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000537162134 1012562218 /nfs/dbraw/zinc/56/22/18/1012562218.db2.gz MNEMBHALOJZJMS-RBUKOAKNSA-N 1 0 412.559 3.667 20 30 HHEDRO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000537162179 1012562391 /nfs/dbraw/zinc/56/23/91/1012562391.db2.gz OEFMGNJXZMBHCS-NHCUHLMSSA-N 1 0 408.571 3.603 20 30 HHEDRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537287649 1012744302 /nfs/dbraw/zinc/74/43/02/1012744302.db2.gz GMJMHYCOEXUKPY-NHCUHLMSSA-N 1 0 410.587 3.834 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000541908249 1012767760 /nfs/dbraw/zinc/76/77/60/1012767760.db2.gz XLBBERCEUDTVIX-UHFFFAOYSA-N 1 0 412.513 3.763 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)cc1OCCCC#N ZINC000537326890 1012783628 /nfs/dbraw/zinc/78/36/28/1012783628.db2.gz GXCNEFJUJTYMIL-LJQANCHMSA-N 1 0 411.477 3.802 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)c2)c1 ZINC000524044744 1012795264 /nfs/dbraw/zinc/79/52/64/1012795264.db2.gz DUVBYAWLUXTDHE-QHCPKHFHSA-N 1 0 417.509 3.575 20 30 HHEDRO COc1cc(CNC(=O)C[NH+]2CCC(CC#N)CC2)ccc1OCc1ccccc1 ZINC000541952161 1012814456 /nfs/dbraw/zinc/81/44/56/1012814456.db2.gz QZPUZJQFKVCETB-UHFFFAOYSA-N 1 0 407.514 3.516 20 30 HHEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369571 1012841583 /nfs/dbraw/zinc/84/15/83/1012841583.db2.gz SZQJHOBFHCHGBG-RBUKOAKNSA-N 1 0 406.452 3.929 20 30 HHEDRO COc1ccc(C2(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)CCCCC2)cc1 ZINC000552836553 1012845212 /nfs/dbraw/zinc/84/52/12/1012845212.db2.gz JEKKUJWGATWZHC-JOCHJYFZSA-N 1 0 408.542 3.993 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000524082726 1012850355 /nfs/dbraw/zinc/85/03/55/1012850355.db2.gz LLZDFKIINPBPDD-UHFFFAOYSA-N 1 0 413.562 3.885 20 30 HHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552895099 1012896979 /nfs/dbraw/zinc/89/69/79/1012896979.db2.gz CZSWKRMAZNMJMW-QGZVFWFLSA-N 1 0 402.970 3.665 20 30 HHEDRO C[NH+](C)CCN(C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CCCC1 ZINC000542026753 1012922173 /nfs/dbraw/zinc/92/21/73/1012922173.db2.gz VITADARNQLFJLL-UHFFFAOYSA-N 1 0 400.914 3.735 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)C2=O)cc1 ZINC000542056668 1012971316 /nfs/dbraw/zinc/97/13/16/1012971316.db2.gz CSRGZSHBKBHCBM-ZWKOTPCHSA-N 1 0 417.435 3.606 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000524211488 1013018274 /nfs/dbraw/zinc/01/82/74/1013018274.db2.gz LHJXWNQHAMAZHX-DHIUTWEWSA-N 1 0 406.530 3.552 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000729670647 1071788850 /nfs/dbraw/zinc/78/88/50/1071788850.db2.gz SAWXPBPJADAXML-UHFFFAOYSA-O 1 0 417.551 3.978 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001211975656 1071828856 /nfs/dbraw/zinc/82/88/56/1071828856.db2.gz MZOBAEVKOSZCNA-NQIIRXRSSA-N 1 0 414.550 3.651 20 30 HHEDRO Cc1cccc2nc(C3CC[NH+](C[C@H](O)COc4ccc(CC#N)cc4)CC3)oc21 ZINC000614925922 1071988989 /nfs/dbraw/zinc/98/89/89/1071988989.db2.gz RQYPMEZYQZCJNG-FQEVSTJZSA-N 1 0 405.498 3.822 20 30 HHEDRO Cc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611918219 1072159938 /nfs/dbraw/zinc/15/99/38/1072159938.db2.gz AZEXRJLKEWGXCV-UHFFFAOYSA-N 1 0 404.430 3.515 20 30 HHEDRO N#CCOc1cccc(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000760392120 1072313910 /nfs/dbraw/zinc/31/39/10/1072313910.db2.gz IITDDJQBIVHRRI-RUZDIDTESA-N 1 0 403.526 3.646 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)c(F)c1 ZINC000586920392 1072502681 /nfs/dbraw/zinc/50/26/81/1072502681.db2.gz WWERLQHYVBBXGC-FCHUYYIVSA-N 1 0 420.532 3.552 20 30 HHEDRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001691597040 1072513842 /nfs/dbraw/zinc/51/38/42/1072513842.db2.gz UVEAYJYJKNAWIB-MJGOQNOKSA-N 1 0 400.596 3.789 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571272594 1072595117 /nfs/dbraw/zinc/59/51/17/1072595117.db2.gz NTFPFKNLPPQMDI-NQIIRXRSSA-N 1 0 403.885 3.773 20 30 HHEDRO CCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccc2)CC1 ZINC000555182699 1073226008 /nfs/dbraw/zinc/22/60/08/1073226008.db2.gz APXVHDHUSBYAOQ-UHFFFAOYSA-N 1 0 400.530 3.591 20 30 HHEDRO C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C2CC2)CC1 ZINC000555253947 1073282796 /nfs/dbraw/zinc/28/27/96/1073282796.db2.gz WJNKAWMAKOJSAH-UHFFFAOYSA-N 1 0 420.330 3.707 20 30 HHEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000555262569 1073295434 /nfs/dbraw/zinc/29/54/34/1073295434.db2.gz QYIWZEXMWNFMJU-NHCUHLMSSA-N 1 0 419.614 3.527 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCOCc2ccc(C#N)cc2)C1 ZINC000588879063 1073324921 /nfs/dbraw/zinc/32/49/21/1073324921.db2.gz JRIWINCUMMCQHE-IBGZPJMESA-N 1 0 400.567 3.617 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000590097752 1073582618 /nfs/dbraw/zinc/58/26/18/1073582618.db2.gz UUHDBGSCTYQABO-FGCOXFRFSA-N 1 0 402.542 3.655 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000590195173 1073643002 /nfs/dbraw/zinc/64/30/02/1073643002.db2.gz RNXHHYVZKZTUQC-JOCHJYFZSA-N 1 0 407.514 3.533 20 30 HHEDRO N#Cc1cc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cnc1C(F)(F)F ZINC000590211983 1073684658 /nfs/dbraw/zinc/68/46/58/1073684658.db2.gz GQEMTVJVTGRVCD-SFHVURJKSA-N 1 0 402.420 3.929 20 30 HHEDRO CC(C)C[C@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000590615116 1073942150 /nfs/dbraw/zinc/94/21/50/1073942150.db2.gz QWYZHVWHTREIME-VWLOTQADSA-N 1 0 418.585 3.970 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C(C)C ZINC000760790160 1073983818 /nfs/dbraw/zinc/98/38/18/1073983818.db2.gz SGXVCHYRCBRVIS-MRXNPFEDSA-N 1 0 410.312 3.786 20 30 HHEDRO C=CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573021320 1074061950 /nfs/dbraw/zinc/06/19/50/1074061950.db2.gz SOVKFQGUEUKFGE-BGYRXZFFSA-N 1 0 403.505 3.838 20 30 HHEDRO N#Cc1ccc2nc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)ncc2c1 ZINC000573040913 1074070630 /nfs/dbraw/zinc/07/06/30/1074070630.db2.gz VWZDDAOOEOLCND-GOSISDBHSA-N 1 0 407.424 3.597 20 30 HHEDRO N#Cc1cccc(COc2ccc(NC(=O)NCCNc3cc[nH+]cc3)cc2Cl)c1 ZINC000573334331 1074361518 /nfs/dbraw/zinc/36/15/18/1074361518.db2.gz GLXSRPALSREAJD-UHFFFAOYSA-N 1 0 421.888 3.841 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C4(C)OCCO4)CC3)sc2C1 ZINC000760897886 1074614439 /nfs/dbraw/zinc/61/44/39/1074614439.db2.gz HLGFJBSULZURJD-HNNXBMFYSA-N 1 0 417.575 3.548 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)CC1 ZINC000592075648 1074687836 /nfs/dbraw/zinc/68/78/36/1074687836.db2.gz RMQITVMIVLLNKF-UHFFFAOYSA-N 1 0 418.541 3.992 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)CC1 ZINC000592077130 1074688204 /nfs/dbraw/zinc/68/82/04/1074688204.db2.gz AADMHWDJMPZJJT-HUUFRCNWSA-N 1 0 415.622 3.500 20 30 HHEDRO Oc1ccc(Br)cc1/C=N/C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760977987 1074770223 /nfs/dbraw/zinc/77/02/23/1074770223.db2.gz FUDFJPSNBQWTDI-VVJWVBNBSA-N 1 0 403.320 3.865 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000592495426 1074771484 /nfs/dbraw/zinc/77/14/84/1074771484.db2.gz VEROUSMANZNRSN-RYUDHWBXSA-N 1 0 401.395 3.846 20 30 HHEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594363876 1075293117 /nfs/dbraw/zinc/29/31/17/1075293117.db2.gz JINCEUBITSMGPN-NRFANRHFSA-N 1 0 421.566 3.563 20 30 HHEDRO COCC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000574994079 1075439874 /nfs/dbraw/zinc/43/98/74/1075439874.db2.gz NEPQEYSJOSDZMD-LJQANCHMSA-N 1 0 406.313 3.849 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c(Cl)nn2)c1 ZINC001164625550 719126449 /nfs/dbraw/zinc/12/64/49/719126449.db2.gz YFYYMQSGCRMCSC-ZBFHGGJFSA-N 1 0 421.854 3.727 20 30 HHEDRO N#C[C@H](c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723963 720405759 /nfs/dbraw/zinc/40/57/59/720405759.db2.gz IIPODJCCRVCVJE-PMOQBDJRSA-N 1 0 414.488 3.519 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(Cl)cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836704 720544392 /nfs/dbraw/zinc/54/43/92/720544392.db2.gz KSMDHTNWJXSPEQ-XYJFISCASA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C#C[Si](C)(C)C)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835187 720639380 /nfs/dbraw/zinc/63/93/80/720639380.db2.gz AOGCATQFZWOTOB-RJGXRXQPSA-N 1 0 421.665 3.885 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(C#N)c[nH]c3n1)CC2 ZINC001164839612 720695614 /nfs/dbraw/zinc/69/56/14/720695614.db2.gz APNXYFLKCMNNAE-FQEVSTJZSA-N 1 0 401.514 3.694 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)ncc1C#N)[C@H]2C ZINC001164856141 720968062 /nfs/dbraw/zinc/96/80/62/720968062.db2.gz BAOKFTURKDBUDJ-ZDUSSCGKSA-N 1 0 408.884 3.769 20 30 HHEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164897842 721513482 /nfs/dbraw/zinc/51/34/82/721513482.db2.gz GNZKIZBDXJVBIU-AEFFLSMTSA-N 1 0 400.885 3.705 20 30 HHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900961 721515394 /nfs/dbraw/zinc/51/53/94/721515394.db2.gz VEQVWTPQOHTWLN-GDBMZVCRSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl ZINC001164906348 721535849 /nfs/dbraw/zinc/53/58/49/721535849.db2.gz JZNBZEQPGBFJKN-WMZOPIPTSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906276 721699626 /nfs/dbraw/zinc/69/96/26/721699626.db2.gz NBUZDPNOVGBPOI-LJQANCHMSA-N 1 0 403.864 3.739 20 30 HHEDRO N#Cc1cc2c(nc1N1CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C1)CCC2 ZINC001164913083 721724547 /nfs/dbraw/zinc/72/45/47/721724547.db2.gz SIFVGUKWJPBBID-QFIPXVFZSA-N 1 0 409.484 3.575 20 30 HHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5[nH]c(C#N)cc5n4)CC3)C2)cc1 ZINC001164939155 721930664 /nfs/dbraw/zinc/93/06/64/721930664.db2.gz JMEONRJSTFEKJX-UHFFFAOYSA-N 1 0 401.514 3.614 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000301407551 970913312 /nfs/dbraw/zinc/91/33/12/970913312.db2.gz MTWSVZBWIGDSLM-FQEVSTJZSA-N 1 0 412.541 3.540 20 30 HHEDRO C=CCOC[C@@H]1NC(=O)N(Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000553087446 1013055881 /nfs/dbraw/zinc/05/58/81/1013055881.db2.gz LXLOGJABANRIGH-QHCPKHFHSA-N 1 0 419.525 3.572 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)c(Br)c1 ZINC000301879094 971096480 /nfs/dbraw/zinc/09/64/80/971096480.db2.gz UTARUTRFVKHQEB-UHFFFAOYSA-N 1 0 400.320 3.958 20 30 HHEDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000524255921 1013066977 /nfs/dbraw/zinc/06/69/77/1013066977.db2.gz GIMDYQLNYBVCCK-UHFFFAOYSA-N 1 0 423.513 3.696 20 30 HHEDRO CC1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553102689 1013067938 /nfs/dbraw/zinc/06/79/38/1013067938.db2.gz AHICDJJILLRXEX-UHFFFAOYSA-N 1 0 414.981 3.905 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000302944341 971409862 /nfs/dbraw/zinc/40/98/62/971409862.db2.gz BVYGRELYXVOOPC-HSZRJFAPSA-N 1 0 405.473 3.577 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000302944344 971410210 /nfs/dbraw/zinc/41/02/10/971410210.db2.gz BVYGRELYXVOOPC-QHCPKHFHSA-N 1 0 405.473 3.577 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000303185975 971548734 /nfs/dbraw/zinc/54/87/34/971548734.db2.gz YENWIEOFTIOOKT-LJQANCHMSA-N 1 0 411.502 3.581 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(I)c2)CC1 ZINC000303261420 971585738 /nfs/dbraw/zinc/58/57/38/971585738.db2.gz HVRLKLWKZFYBMA-UHFFFAOYSA-N 1 0 418.706 3.715 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000303281402 971596568 /nfs/dbraw/zinc/59/65/68/971596568.db2.gz ISIFYDKMMHTGQR-UHFFFAOYSA-N 1 0 406.368 3.820 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCCC(C)C)c(OC)c2)CC1 ZINC000303336757 971639767 /nfs/dbraw/zinc/63/97/67/971639767.db2.gz OLCWTWLPFTXRFS-UHFFFAOYSA-N 1 0 403.567 3.960 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000303470754 971772792 /nfs/dbraw/zinc/77/27/92/971772792.db2.gz HOPHRNYVXMOMRA-VLCRHTCISA-N 1 0 409.574 3.537 20 30 HHEDRO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccccc1 ZINC000303498165 971797132 /nfs/dbraw/zinc/79/71/32/971797132.db2.gz UJZCOPGSSDCSMJ-KRWDZBQOSA-N 1 0 403.448 3.877 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303761883 972011605 /nfs/dbraw/zinc/01/16/05/972011605.db2.gz ORUDMORACBHSDU-UTKZUKDTSA-N 1 0 420.557 3.720 20 30 HHEDRO Cn1ccnc1[C@](O)(CC[NH+]=C(Nc1ccccc1)N1CCCCC1)C(F)(F)F ZINC000303790386 972029438 /nfs/dbraw/zinc/02/94/38/972029438.db2.gz WEOGQZRGKAPULU-LJQANCHMSA-N 1 0 409.456 3.514 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303788956 972028189 /nfs/dbraw/zinc/02/81/89/972028189.db2.gz JPVGPWSHBNHPFZ-VQIMIIECSA-N 1 0 417.962 3.885 20 30 HHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000303789050 972029020 /nfs/dbraw/zinc/02/90/20/972029020.db2.gz UZXDSNFWUHEIHU-UHFFFAOYSA-N 1 0 416.591 3.566 20 30 HHEDRO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000542186583 1013128546 /nfs/dbraw/zinc/12/85/46/1013128546.db2.gz YAIALQSUILYUSM-OAHLLOKOSA-N 1 0 418.415 3.850 20 30 HHEDRO [NH2+]=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303863927 972406066 /nfs/dbraw/zinc/40/60/66/972406066.db2.gz ARXZGNNOPDDNJP-SIKLNZKXSA-N 1 0 412.965 3.945 20 30 HHEDRO COc1ccc(OC)c([C@@H](O)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303871178 972412818 /nfs/dbraw/zinc/41/28/18/972412818.db2.gz BNNZZBUDWVDVQO-GTNSWQLSSA-N 1 0 412.317 3.710 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(Oc3cccnc3)c(F)c2)cc1OC ZINC000303874492 972416314 /nfs/dbraw/zinc/41/63/14/972416314.db2.gz HFSGSPJFLYYPRT-UHFFFAOYSA-N 1 0 410.449 3.635 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(COc3ccccc3)cc2)cc1OC ZINC000303874852 972416494 /nfs/dbraw/zinc/41/64/94/972416494.db2.gz DDVKZZIEZQOINK-UHFFFAOYSA-N 1 0 405.498 3.887 20 30 HHEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 ZINC000303876928 972418420 /nfs/dbraw/zinc/41/84/20/972418420.db2.gz FDHOITJYJUSTFL-INIZCTEOSA-N 1 0 414.575 3.651 20 30 HHEDRO CCNC(=O)COc1cccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303879560 972420409 /nfs/dbraw/zinc/42/04/09/972420409.db2.gz JQZGNFWPZHKFCK-ZDUSSCGKSA-N 1 0 423.344 3.674 20 30 HHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1 ZINC000007974077 961388504 /nfs/dbraw/zinc/38/85/04/961388504.db2.gz JPOUCLJXVIHZNO-UHFFFAOYSA-N 1 0 413.543 3.976 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(O)c(OC)c1 ZINC000008185924 961467117 /nfs/dbraw/zinc/46/71/17/961467117.db2.gz CSXFBWJRNVYHHU-UHFFFAOYSA-N 1 0 424.497 3.709 20 30 HHEDRO COC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)c1C ZINC000010170672 961756041 /nfs/dbraw/zinc/75/60/41/961756041.db2.gz JBDJRRQIANIHOD-UHFFFAOYSA-O 1 0 408.503 3.757 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553355685 1013296340 /nfs/dbraw/zinc/29/63/40/1013296340.db2.gz IOMXCHFOUZVANY-KRWDZBQOSA-N 1 0 411.525 3.811 20 30 HHEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000553357517 1013297300 /nfs/dbraw/zinc/29/73/00/1013297300.db2.gz SWVLQIHLJGWICS-MRXNPFEDSA-N 1 0 405.477 3.979 20 30 HHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000011215198 962033259 /nfs/dbraw/zinc/03/32/59/962033259.db2.gz MUVKBIZMXCUASJ-UHFFFAOYSA-N 1 0 413.543 3.976 20 30 HHEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000553450140 1013363387 /nfs/dbraw/zinc/36/33/87/1013363387.db2.gz PEJVDPMLADDPDS-SFHVURJKSA-N 1 0 416.541 3.762 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553511093 1013410539 /nfs/dbraw/zinc/41/05/39/1013410539.db2.gz PHCVSFWDENSLND-VWLOTQADSA-N 1 0 406.526 3.998 20 30 HHEDRO CCNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022686706 963697378 /nfs/dbraw/zinc/69/73/78/963697378.db2.gz SNVQUZJEEHBHEW-UHFFFAOYSA-O 1 0 416.567 3.551 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(F)c(F)c1)C(=S)NC[C@@H]1CCCO1 ZINC000022691255 963698004 /nfs/dbraw/zinc/69/80/04/963698004.db2.gz ZPTGGOLLYFPGJK-INIZCTEOSA-O 1 0 405.490 3.522 20 30 HHEDRO CNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022733714 963705781 /nfs/dbraw/zinc/70/57/81/963705781.db2.gz SKVNUKGJCODAKF-UHFFFAOYSA-O 1 0 406.487 3.631 20 30 HHEDRO CNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022733804 963706054 /nfs/dbraw/zinc/70/60/54/963706054.db2.gz NHEJNCHDFGJZHK-UHFFFAOYSA-O 1 0 406.487 3.631 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000023604803 963859530 /nfs/dbraw/zinc/85/95/30/963859530.db2.gz QBZJZBQNNIKOHM-UHFFFAOYSA-O 1 0 421.590 3.756 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000553553319 1013451307 /nfs/dbraw/zinc/45/13/07/1013451307.db2.gz QNUMOANMJVMJPB-LJQANCHMSA-N 1 0 420.557 3.541 20 30 HHEDRO CC(=O)c1ccc(C#N)c(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000542508380 1013453284 /nfs/dbraw/zinc/45/32/84/1013453284.db2.gz VQRZVKNUNUYWMU-UHFFFAOYSA-N 1 0 407.514 3.863 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)c1C#N ZINC000542519199 1013462436 /nfs/dbraw/zinc/46/24/36/1013462436.db2.gz XWTWEFAMNGKCFQ-JOCHJYFZSA-N 1 0 403.486 3.692 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000025304433 964236988 /nfs/dbraw/zinc/23/69/88/964236988.db2.gz SFNPIJZLQCZNCP-IFMALSPDSA-N 1 0 424.541 3.514 20 30 HHEDRO COC[C@@H]([NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccco1 ZINC000542559220 1013501940 /nfs/dbraw/zinc/50/19/40/1013501940.db2.gz PBCSRCBJJUIEAB-LJQANCHMSA-N 1 0 410.474 3.517 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000051753194 964686927 /nfs/dbraw/zinc/68/69/27/964686927.db2.gz JEADEBIDZVQPNK-UHFFFAOYSA-N 1 0 419.504 3.639 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc(OC)c1OC ZINC000051778560 964696400 /nfs/dbraw/zinc/69/64/00/964696400.db2.gz WZRHTMUJULPSJC-UHFFFAOYSA-N 1 0 403.567 3.694 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccccc1CC ZINC000027309988 964845413 /nfs/dbraw/zinc/84/54/13/964845413.db2.gz QXBLBHPXIUBOJG-UHFFFAOYSA-O 1 0 422.574 3.768 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000052485690 964916128 /nfs/dbraw/zinc/91/61/28/964916128.db2.gz MAFATDHNRVSUTP-GUDVDZBRSA-N 1 0 419.639 3.668 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000052485679 964916223 /nfs/dbraw/zinc/91/62/23/964916223.db2.gz OFQUFGKQXZIXQV-RTBURBONSA-N 1 0 419.639 3.764 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953152 965007108 /nfs/dbraw/zinc/00/71/08/965007108.db2.gz DJDGXHQGZWGTLN-RBUKOAKNSA-N 1 0 422.504 3.812 20 30 HHEDRO C[N@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1ccccc1C#N ZINC000028895842 965210589 /nfs/dbraw/zinc/21/05/89/965210589.db2.gz LZSVHXGGCGELOV-UHFFFAOYSA-N 1 0 402.292 3.660 20 30 HHEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000537979740 1013555649 /nfs/dbraw/zinc/55/56/49/1013555649.db2.gz TWSAEVDXNATOSE-PBPGXSGUSA-N 1 0 413.543 3.507 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000057167806 965320328 /nfs/dbraw/zinc/32/03/28/965320328.db2.gz CTRMTFIRGDWGHK-UHFFFAOYSA-N 1 0 416.481 3.520 20 30 HHEDRO CCOC(=O)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000029393071 965367344 /nfs/dbraw/zinc/36/73/44/965367344.db2.gz LBENCLFYWQEBDK-UHFFFAOYSA-N 1 0 420.560 3.816 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC(c2cccc(C)c2)c2cccc(C)c2)CC1 ZINC000553734013 1013578307 /nfs/dbraw/zinc/57/83/07/1013578307.db2.gz MJTAHYLZEXGWQC-UHFFFAOYSA-N 1 0 419.569 3.666 20 30 HHEDRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000054677395 965607324 /nfs/dbraw/zinc/60/73/24/965607324.db2.gz YIJFBLZVYDQRRE-OAHLLOKOSA-N 1 0 413.547 3.788 20 30 HHEDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n1 ZINC000054679021 965608203 /nfs/dbraw/zinc/60/82/03/965608203.db2.gz BKCCXILNBSHPQB-UHFFFAOYSA-N 1 0 413.547 3.788 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000054809215 965654609 /nfs/dbraw/zinc/65/46/09/965654609.db2.gz SZYMWEVUHVWHGE-UHFFFAOYSA-N 1 0 402.542 3.897 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)Cc1ccc(C#N)cc1 ZINC000058396944 965719108 /nfs/dbraw/zinc/71/91/08/965719108.db2.gz BDMSBAATTBZBLP-UHFFFAOYSA-N 1 0 424.976 3.766 20 30 HHEDRO COc1ccc(C([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000030536350 965720936 /nfs/dbraw/zinc/72/09/36/965720936.db2.gz SNANQBSGADWTMF-OAQYLSRUSA-N 1 0 418.493 3.694 20 30 HHEDRO COc1ccccc1-c1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cs1 ZINC000058879854 965937900 /nfs/dbraw/zinc/93/79/00/965937900.db2.gz XIBYZVYFEDIDHP-UHFFFAOYSA-N 1 0 420.538 3.894 20 30 HHEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc(OC)c1OC ZINC000059001683 965988096 /nfs/dbraw/zinc/98/80/96/965988096.db2.gz CMHVJOZUZSYNRC-UHFFFAOYSA-N 1 0 400.494 3.775 20 30 HHEDRO CC[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477290 966163649 /nfs/dbraw/zinc/16/36/49/966163649.db2.gz QZXPQVUNYCQWPO-LJQANCHMSA-N 1 0 401.514 3.502 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000056168337 966243716 /nfs/dbraw/zinc/24/37/16/966243716.db2.gz KCVYICOZXQMWKF-AZUAARDMSA-N 1 0 408.571 3.922 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000032446390 966257172 /nfs/dbraw/zinc/25/71/72/966257172.db2.gz GPVKQCJOWKVSLL-JOCHJYFZSA-N 1 0 408.542 3.756 20 30 HHEDRO COc1c(F)cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000056717818 966430309 /nfs/dbraw/zinc/43/03/09/966430309.db2.gz AXJKRQXEOYPJSE-UHFFFAOYSA-N 1 0 400.429 3.585 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000061774852 966548527 /nfs/dbraw/zinc/54/85/27/966548527.db2.gz HBIHGPKNESUHLS-UHFFFAOYSA-N 1 0 412.559 3.698 20 30 HHEDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542760156 1013665900 /nfs/dbraw/zinc/66/59/00/1013665900.db2.gz LTQIUDVVXPWSFL-LJQANCHMSA-N 1 0 420.557 3.774 20 30 HHEDRO C=CCOc1ccc(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1OC ZINC000063264114 966796970 /nfs/dbraw/zinc/79/69/70/966796970.db2.gz UJZVVEWWOXYGSU-UHFFFAOYSA-N 1 0 424.541 3.911 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000063400415 966844193 /nfs/dbraw/zinc/84/41/93/966844193.db2.gz TYKKXGAAMKIJND-FQEVSTJZSA-N 1 0 400.454 3.734 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCn3ccc4ccccc43)CC2)cc1 ZINC000042821434 966853361 /nfs/dbraw/zinc/85/33/61/966853361.db2.gz HHBVJFKJVNAMAK-UHFFFAOYSA-N 1 0 415.541 3.821 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000063503829 966877673 /nfs/dbraw/zinc/87/76/73/966877673.db2.gz WNHGGTGFOSOBFZ-IBGZPJMESA-N 1 0 419.447 3.529 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000043139381 966915350 /nfs/dbraw/zinc/91/53/50/966915350.db2.gz GEQRFBJHXATJRO-HSZRJFAPSA-N 1 0 406.530 3.935 20 30 HHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000063753445 966947905 /nfs/dbraw/zinc/94/79/05/966947905.db2.gz DQEIJBZDIDSGCE-SFHVURJKSA-N 1 0 409.313 3.753 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000063788419 966957868 /nfs/dbraw/zinc/95/78/68/966957868.db2.gz PPFKSWNRSUURGD-UHFFFAOYSA-N 1 0 408.546 3.757 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CCN1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000064129412 967060028 /nfs/dbraw/zinc/06/00/28/967060028.db2.gz GDADOIKYZKMJFC-UHFFFAOYSA-N 1 0 400.592 3.635 20 30 HHEDRO N#Cc1cc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)ccc1Cl ZINC000064279994 967118977 /nfs/dbraw/zinc/11/89/77/967118977.db2.gz ZNLKEFDILXKTRJ-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000044566449 967241559 /nfs/dbraw/zinc/24/15/59/967241559.db2.gz GGZDITVRYNZZSM-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC)[NH+]2CCCCC2)cc1 ZINC000064743596 967279965 /nfs/dbraw/zinc/27/99/65/967279965.db2.gz NCDJDFGCNJXCER-OAQYLSRUSA-N 1 0 408.502 3.924 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)ccc1OCc1ccccc1 ZINC000538154310 1013714716 /nfs/dbraw/zinc/71/47/16/1013714716.db2.gz CRIFCSBDWQMVAU-XDHUDOTRSA-N 1 0 407.514 3.733 20 30 HHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccoc1C ZINC000065169541 967399588 /nfs/dbraw/zinc/39/95/88/967399588.db2.gz WPSNPJYJNUASIU-IBGZPJMESA-N 1 0 410.543 3.544 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000065290445 967429652 /nfs/dbraw/zinc/42/96/52/967429652.db2.gz UJUSBQLWHCLLMI-QFIPXVFZSA-N 1 0 423.557 3.896 20 30 HHEDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1OC ZINC000538175807 1013735158 /nfs/dbraw/zinc/73/51/58/1013735158.db2.gz UEDCLORILBGUNF-BWKNWUBXSA-N 1 0 421.541 3.694 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 ZINC000538199068 1013754651 /nfs/dbraw/zinc/75/46/51/1013754651.db2.gz MSBFURBBHIFWIH-MJGOQNOKSA-N 1 0 406.530 3.707 20 30 HHEDRO C[C@@H]([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542943007 1013775907 /nfs/dbraw/zinc/77/59/07/1013775907.db2.gz ZBTDGEHXHMXUHF-QGZVFWFLSA-N 1 0 421.522 3.602 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000542937640 1013771302 /nfs/dbraw/zinc/77/13/02/1013771302.db2.gz YMNPREWLHUDBJT-ZIAGYGMSSA-N 1 0 418.419 3.652 20 30 HHEDRO CC(C)C[NH+]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000047782956 968310490 /nfs/dbraw/zinc/31/04/90/968310490.db2.gz GPJJYEBLFSNICM-UHFFFAOYSA-N 1 0 416.576 3.521 20 30 HHEDRO C[C@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000554114205 1013803461 /nfs/dbraw/zinc/80/34/61/1013803461.db2.gz BMNOQONUKCGAHX-HNNXBMFYSA-N 1 0 419.497 3.730 20 30 HHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)C1 ZINC000554128953 1013811492 /nfs/dbraw/zinc/81/14/92/1013811492.db2.gz VWAMRQSBRCPDKO-JXQFQVJHSA-N 1 0 403.526 3.940 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000078602572 969005182 /nfs/dbraw/zinc/00/51/82/969005182.db2.gz OYWYHYDLUUQUFP-UHFFFAOYSA-N 1 0 410.484 3.578 20 30 HHEDRO Cc1ccc(NC(=O)[C@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c(F)c1 ZINC000097571247 969164895 /nfs/dbraw/zinc/16/48/95/969164895.db2.gz MMYRVFVGASWBSX-KRWDZBQOSA-N 1 0 412.509 3.784 20 30 HHEDRO CCOc1ccc(NC(=O)[C@@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000097571461 969165446 /nfs/dbraw/zinc/16/54/46/969165446.db2.gz ZVFBLCMKWZBLQK-GOSISDBHSA-N 1 0 424.545 3.735 20 30 HHEDRO Cc1ccc(NC(=O)[C@@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC000097571479 969166032 /nfs/dbraw/zinc/16/60/32/969166032.db2.gz KYZNVLXBWPCECG-QGZVFWFLSA-N 1 0 412.509 3.784 20 30 HHEDRO C[C@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000097571498 969166071 /nfs/dbraw/zinc/16/60/71/969166071.db2.gz IJWPJRVIYXQRSQ-OALUTQOASA-N 1 0 420.557 3.676 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC3CC[NH+](C(C)C)CC3)c2)c1 ZINC000107703172 969326964 /nfs/dbraw/zinc/32/69/64/969326964.db2.gz QEZWOJNOCREABZ-UHFFFAOYSA-N 1 0 419.525 3.867 20 30 HHEDRO COc1ccc([C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[NH+]2CCCC2)cc1 ZINC000108467865 969387470 /nfs/dbraw/zinc/38/74/70/969387470.db2.gz RTENWOQZCZJGJO-LADGPHEKSA-N 1 0 421.541 3.924 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000108975832 969442872 /nfs/dbraw/zinc/44/28/72/969442872.db2.gz IIEHFRTYZLQRRA-LEWJYISDSA-N 1 0 412.578 3.567 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109307127 969495773 /nfs/dbraw/zinc/49/57/73/969495773.db2.gz YHYJRDXROXRJLT-ZJSXRUAMSA-N 1 0 405.542 3.990 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)cc1 ZINC000554272810 1013887254 /nfs/dbraw/zinc/88/72/54/1013887254.db2.gz SYIRTTGYIPXXAA-INIZCTEOSA-N 1 0 424.545 3.538 20 30 HHEDRO COc1cc(C#N)ccc1OC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110124254 969626823 /nfs/dbraw/zinc/62/68/23/969626823.db2.gz OHAZITIXBDLNMZ-HXUWFJFHSA-N 1 0 404.388 3.927 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C[C@H](C)C#N ZINC000110984526 969754130 /nfs/dbraw/zinc/75/41/30/969754130.db2.gz YXSLISARIIUDJJ-QGZVFWFLSA-N 1 0 408.502 3.758 20 30 HHEDRO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000116401647 969891274 /nfs/dbraw/zinc/89/12/74/969891274.db2.gz SFYCTDVNCSOXEZ-IDVKNYFZSA-N 1 0 410.562 3.538 20 30 HHEDRO CCOc1cc2c(cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000195713678 969975335 /nfs/dbraw/zinc/97/53/35/969975335.db2.gz MAPIGRHDHQBHHB-KRWDZBQOSA-N 1 0 422.529 3.876 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCN(c4cccc(Br)c4)C3)n2c1 ZINC000236656153 970152313 /nfs/dbraw/zinc/15/23/13/970152313.db2.gz LXOYTUCJGITDJZ-INIZCTEOSA-N 1 0 410.319 3.585 20 30 HHEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)S(=O)(=O)c1ccc(Br)cc1 ZINC000236731975 970165288 /nfs/dbraw/zinc/16/52/88/970165288.db2.gz BKJGYQOWTBCUMS-UHFFFAOYSA-N 1 0 413.362 3.724 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237013111 970206764 /nfs/dbraw/zinc/20/67/64/970206764.db2.gz FEQAZJHTUROZCJ-MSOLQXFVSA-N 1 0 415.559 3.859 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1OC ZINC000237212871 970243273 /nfs/dbraw/zinc/24/32/73/970243273.db2.gz FNMNJHSJMSLKPK-CQSZACIVSA-N 1 0 408.340 3.953 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc(OC)c1O ZINC000237431828 970285302 /nfs/dbraw/zinc/28/53/02/970285302.db2.gz FAJYCHVVTUBYGE-OAQYLSRUSA-N 1 0 416.949 3.946 20 30 HHEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc(C#N)cc3)c2)cc1 ZINC000237475710 970295250 /nfs/dbraw/zinc/29/52/50/970295250.db2.gz PEXJOXDSNLJRQN-UHFFFAOYSA-N 1 0 401.466 3.988 20 30 HHEDRO Cc1cccc(COc2c(C)cc(C[NH2+]CCNC(=O)C3N=CC=CC3=O)cc2C)c1 ZINC000237648662 970328905 /nfs/dbraw/zinc/32/89/05/970328905.db2.gz DXQOSXSCADCUQS-BZZOAKBMSA-N 1 0 419.525 3.807 20 30 HHEDRO Cc1ccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)N2CCOCC2)o1 ZINC000237650121 970329783 /nfs/dbraw/zinc/32/97/83/970329783.db2.gz LFRYTHIIOJZEDN-QFIPXVFZSA-N 1 0 419.529 3.528 20 30 HHEDRO Cc1nc(COc2ccc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cc2)no1 ZINC000237669140 970334963 /nfs/dbraw/zinc/33/49/63/970334963.db2.gz CERJRTFYBGVAAV-LJQANCHMSA-N 1 0 421.476 3.726 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c(-c2ccccc2)n1 ZINC000237829274 970376787 /nfs/dbraw/zinc/37/67/87/970376787.db2.gz GABIPCGMMAJGPM-UHFFFAOYSA-N 1 0 407.562 3.588 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(-c2ccccc2)n1 ZINC000237853172 970380621 /nfs/dbraw/zinc/38/06/21/970380621.db2.gz KKQNKQPWOAPPOE-UHFFFAOYSA-N 1 0 419.504 3.729 20 30 HHEDRO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)c2)cc1 ZINC000237875669 970386615 /nfs/dbraw/zinc/38/66/15/970386615.db2.gz HMXMRLZUXPBBQN-UHFFFAOYSA-N 1 0 409.493 3.734 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(CN3CCCC3=O)c2)c(-c2ccccc2)n1 ZINC000238063523 970431713 /nfs/dbraw/zinc/43/17/13/970431713.db2.gz LZPHAMCZEXOFOE-UHFFFAOYSA-N 1 0 413.525 3.876 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN(C)C[C@@H]2CCCCO2)c1C#N ZINC000165861621 970460903 /nfs/dbraw/zinc/46/09/03/970460903.db2.gz FBFZWWCMFYIMHP-FQEVSTJZSA-N 1 0 412.509 3.603 20 30 HHEDRO COc1ccc(NC(=S)C(C(=O)c2c(C)noc2C)[n+]2ccccc2)cc1F ZINC000186965942 970493300 /nfs/dbraw/zinc/49/33/00/970493300.db2.gz WKLBZJLDSBXAHI-UHFFFAOYSA-O 1 0 400.455 3.778 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000195539209 970500596 /nfs/dbraw/zinc/50/05/96/970500596.db2.gz BVMNVDIMRNWYEE-KRWDZBQOSA-N 1 0 423.395 3.900 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1Cl ZINC000303969337 972556747 /nfs/dbraw/zinc/55/67/47/972556747.db2.gz BQVACSHUSRUSBE-SFHVURJKSA-N 1 0 423.344 3.802 20 30 HHEDRO Cc1ccc(NC(=[NH2+])NCCCNC(=O)c2ccc(Br)cc2)cc1C ZINC000303970299 972557827 /nfs/dbraw/zinc/55/78/27/972557827.db2.gz CNENBJCDFUYKIB-UHFFFAOYSA-N 1 0 403.324 3.613 20 30 HHEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCNC(=O)c2cccc(Br)c2)c1 ZINC000303977035 972563508 /nfs/dbraw/zinc/56/35/08/972563508.db2.gz KSUUMQXUBZGWEG-UHFFFAOYSA-N 1 0 403.324 3.613 20 30 HHEDRO [NH2+]=C(NCCNC(=O)Cc1cccc(F)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000304513443 972602565 /nfs/dbraw/zinc/60/25/65/972602565.db2.gz ULTMPENQNUDOCW-UHFFFAOYSA-N 1 0 406.461 3.704 20 30 HHEDRO C[C@H]1CN(C(=O)c2ccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)cc2)C[C@H](C)O1 ZINC000304678019 972602736 /nfs/dbraw/zinc/60/27/36/972602736.db2.gz NYIFAHOEYDAVKW-ROUUACIJSA-N 1 0 420.557 3.742 20 30 HHEDRO COc1ccccc1[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)N1CCCCC1 ZINC000304513799 972603007 /nfs/dbraw/zinc/60/30/07/972603007.db2.gz YADFHGIUXZJVRV-SFTDATJTSA-N 1 0 408.546 3.650 20 30 HHEDRO C[C@H](NC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl ZINC000304751945 972603901 /nfs/dbraw/zinc/60/39/01/972603901.db2.gz JTCHXXPKIMLFNG-VIFPVBQESA-N 1 0 421.254 3.880 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1ccccc1CS(C)(=O)=O)c1ccc(Cl)cc1Cl ZINC000304760676 972605284 /nfs/dbraw/zinc/60/52/84/972605284.db2.gz SUPMCTADQCIMQS-LBPRGKRZSA-N 1 0 414.358 3.704 20 30 HHEDRO [NH2+]=C(NCc1nccn1CCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304806768 972607101 /nfs/dbraw/zinc/60/71/01/972607101.db2.gz FFBISCKAURKPQY-UHFFFAOYSA-N 1 0 403.408 3.951 20 30 HHEDRO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000305060438 972608524 /nfs/dbraw/zinc/60/85/24/972608524.db2.gz IUXYUVSSPJCZOD-UHFFFAOYSA-N 1 0 424.526 3.704 20 30 HHEDRO COc1cc2[nH]c(CCCNC(=[NH2+])Nc3ccc(OC)c(OC)c3)cc2c(OC)c1 ZINC000304833893 972608595 /nfs/dbraw/zinc/60/85/95/972608595.db2.gz MFXJQSCAHLMFHG-UHFFFAOYSA-N 1 0 412.490 3.562 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@H](CNC(=[NH2+])Nc3ccc(OC)c(Cl)c3)C2)c1 ZINC000305047856 972608672 /nfs/dbraw/zinc/60/86/72/972608672.db2.gz YWKKEERRINMYBL-CQSZACIVSA-N 1 0 418.925 3.619 20 30 HHEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305180910 972610042 /nfs/dbraw/zinc/61/00/42/972610042.db2.gz BZNBBUTWSSEXSZ-ZDUSSCGKSA-N 1 0 415.437 3.564 20 30 HHEDRO COc1ccccc1N1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000305195580 972610132 /nfs/dbraw/zinc/61/01/32/972610132.db2.gz DPQVTOGQIUPSBH-CQSZACIVSA-N 1 0 408.424 3.847 20 30 HHEDRO [NH2+]=C(NCc1ccccc1CN1CCCC1=O)Nc1ccccc1OC(F)(F)F ZINC000305174398 972610290 /nfs/dbraw/zinc/61/02/90/972610290.db2.gz ALFNQYYZSSESAH-UHFFFAOYSA-N 1 0 406.408 3.634 20 30 HHEDRO CC(C)(C)OC(=O)N[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000305750839 972614569 /nfs/dbraw/zinc/61/45/69/972614569.db2.gz RLXYZARESHMRJO-CQSZACIVSA-N 1 0 402.417 3.615 20 30 HHEDRO CC(C)(C)OC(=O)N[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000305734003 972615043 /nfs/dbraw/zinc/61/50/43/972615043.db2.gz LEVYSZOUHDICIP-CYBMUJFWSA-N 1 0 402.417 3.615 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409827760 973299288 /nfs/dbraw/zinc/29/92/88/973299288.db2.gz UIQVBVNQVVYGAB-UHFFFAOYSA-N 1 0 407.543 3.790 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H]([NH2+][C@H]3CCOc4c(Br)cccc43)C2=O)cc1 ZINC000409841667 973310513 /nfs/dbraw/zinc/31/05/13/973310513.db2.gz BBUVQZLPTXKWQZ-ZWKOTPCHSA-N 1 0 412.287 3.539 20 30 HHEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000425954430 974059117 /nfs/dbraw/zinc/05/91/17/974059117.db2.gz VVCBWCKVMQIZDZ-UHFFFAOYSA-N 1 0 420.513 3.526 20 30 HHEDRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cccnc12 ZINC000426082810 974206146 /nfs/dbraw/zinc/20/61/46/974206146.db2.gz BJIVVTWQHLDSMJ-UHFFFAOYSA-N 1 0 415.497 3.855 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)cc1 ZINC000426109968 974232670 /nfs/dbraw/zinc/23/26/70/974232670.db2.gz DHTCVAAJBJIUAV-DHIUTWEWSA-N 1 0 420.513 3.850 20 30 HHEDRO N#CCCN(Cc1ccccn1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426127787 974249863 /nfs/dbraw/zinc/24/98/63/974249863.db2.gz NPNQXYNLDVWLPM-UHFFFAOYSA-N 1 0 407.518 3.894 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000426543745 974519204 /nfs/dbraw/zinc/51/92/04/974519204.db2.gz KCZOVPNJSJSQTN-LJAQVGFWSA-N 1 0 412.559 3.694 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+]1CCC(C)CC1 ZINC000426663853 974589544 /nfs/dbraw/zinc/58/95/44/974589544.db2.gz NQLIECOWEBABRI-SFHVURJKSA-N 1 0 420.513 3.526 20 30 HHEDRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+]1CCCC1 ZINC000426686220 974598997 /nfs/dbraw/zinc/59/89/97/974598997.db2.gz CMFUYNJYERJMLQ-OAQYLSRUSA-N 1 0 420.513 3.526 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426776232 974651861 /nfs/dbraw/zinc/65/18/61/974651861.db2.gz XGFYJIPJMYNQQN-AZUAARDMSA-N 1 0 406.592 3.701 20 30 HHEDRO COc1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1NC(C)=O ZINC000426985240 974799926 /nfs/dbraw/zinc/79/99/26/974799926.db2.gz WGPDHQVAGYRINA-VMEOHVCESA-N 1 0 408.502 3.961 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H]1C ZINC000426985075 974800021 /nfs/dbraw/zinc/80/00/21/974800021.db2.gz DQRJPHKYCHVEPI-FXAWDEMLSA-N 1 0 420.513 3.620 20 30 HHEDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000427490139 975144805 /nfs/dbraw/zinc/14/48/05/975144805.db2.gz HJLFQSJRMCRSPS-QGZVFWFLSA-N 1 0 424.570 3.748 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1Cl ZINC000428401080 975721255 /nfs/dbraw/zinc/72/12/55/975721255.db2.gz ORFISAUCEYMWIK-UHFFFAOYSA-N 1 0 412.921 3.926 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)cc(OC)c1O ZINC000428534486 975830863 /nfs/dbraw/zinc/83/08/63/975830863.db2.gz IMGFFDSFRVUYCE-INIZCTEOSA-N 1 0 420.347 3.833 20 30 HHEDRO N#CCCn1ncc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1-c1ccccc1 ZINC000428641450 975942377 /nfs/dbraw/zinc/94/23/77/975942377.db2.gz JKTDYVUCVRHUAQ-UHFFFAOYSA-N 1 0 405.546 3.991 20 30 HHEDRO C[C@H](NC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795332 976071385 /nfs/dbraw/zinc/07/13/85/976071385.db2.gz RAUKETFEELOVOC-BBRMVZONSA-N 1 0 419.312 3.591 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C#N ZINC000429014324 976295834 /nfs/dbraw/zinc/29/58/34/976295834.db2.gz YDYBZDPDLDFMDZ-HYFFOGBASA-N 1 0 411.594 3.692 20 30 HHEDRO C=CCOc1cccc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429054934 976342309 /nfs/dbraw/zinc/34/23/09/976342309.db2.gz KZWOZIMZNPABDX-KDURUIRLSA-N 1 0 401.551 3.995 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[NH+](C1CCC1)C1CCC1)CCCC2 ZINC000429125811 976411587 /nfs/dbraw/zinc/41/15/87/976411587.db2.gz FWCSWFCBIZJAIV-LJQANCHMSA-N 1 0 410.562 3.763 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000429134696 976421350 /nfs/dbraw/zinc/42/13/50/976421350.db2.gz RJZLSQFGDIGQFC-OPAMFIHVSA-N 1 0 413.543 3.686 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)cc1 ZINC000429308620 976581590 /nfs/dbraw/zinc/58/15/90/976581590.db2.gz LKHYEGJMYVYQSY-MRXNPFEDSA-N 1 0 418.497 3.969 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429312906 976583700 /nfs/dbraw/zinc/58/37/00/976583700.db2.gz AJKUNFBTAFPLOO-SFHVURJKSA-N 1 0 418.472 3.506 20 30 HHEDRO Cc1noc(C[C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c2ccccc2)n1 ZINC000429541672 976806161 /nfs/dbraw/zinc/80/61/61/976806161.db2.gz PKHJIDXUFJHWQP-OAQYLSRUSA-N 1 0 417.513 3.815 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000429560746 976828658 /nfs/dbraw/zinc/82/86/58/976828658.db2.gz KAFUUIURDWRQTA-DEOSSOPVSA-N 1 0 422.529 3.760 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000429587067 976863491 /nfs/dbraw/zinc/86/34/91/976863491.db2.gz CYPMQMFPXAMETN-UHFFFAOYSA-N 1 0 420.492 3.538 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1 ZINC000429587533 976863579 /nfs/dbraw/zinc/86/35/79/976863579.db2.gz FDCMXHSWKKEOLV-UHFFFAOYSA-N 1 0 410.566 3.928 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(F)cc1 ZINC000429603659 976885334 /nfs/dbraw/zinc/88/53/34/976885334.db2.gz GUAFHLGMJOAUHO-NRFANRHFSA-N 1 0 405.477 3.636 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)[NH+](C)C)cc1 ZINC000429640329 976931600 /nfs/dbraw/zinc/93/16/00/976931600.db2.gz MRPQURLGNHIUCA-QFIPXVFZSA-N 1 0 401.514 3.805 20 30 HHEDRO N#CCCn1ncc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000429727494 977017381 /nfs/dbraw/zinc/01/73/81/977017381.db2.gz VBGRVDUMCQOOSC-UHFFFAOYSA-N 1 0 413.525 3.812 20 30 HHEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C1CCCC1 ZINC000429782003 977065988 /nfs/dbraw/zinc/06/59/88/977065988.db2.gz HRPYMZCWYOYMQK-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000429810846 977085699 /nfs/dbraw/zinc/08/56/99/977085699.db2.gz CBHLXESZZTXDLK-UGKGYDQZSA-N 1 0 413.525 3.857 20 30 HHEDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430184564 977376850 /nfs/dbraw/zinc/37/68/50/977376850.db2.gz GQSWKYAPWRCZRS-JOCHJYFZSA-N 1 0 401.514 3.777 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)C[C@@H](C)O1 ZINC000430738593 977719015 /nfs/dbraw/zinc/71/90/15/977719015.db2.gz ZQMVAZSYDPCXAS-QZTJIDSGSA-N 1 0 409.555 3.841 20 30 HHEDRO C=CCN1C(=O)N(Cc2cccc(C[NH+]3CCCC3)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430751278 977728869 /nfs/dbraw/zinc/72/88/69/977728869.db2.gz UNXKVYJENIZHRF-QHCPKHFHSA-N 1 0 403.526 3.844 20 30 HHEDRO C=CCN1C(=O)N([C@@H](C[NH+]2CCCC2)c2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430853673 977806872 /nfs/dbraw/zinc/80/68/72/977806872.db2.gz XKVVBGPDZPRDDO-PKTZIBPZSA-N 1 0 403.526 3.885 20 30 HHEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000430994370 977939563 /nfs/dbraw/zinc/93/95/63/977939563.db2.gz VEZZWFNYGARQJJ-AUSIDOKSSA-N 1 0 407.514 3.690 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431036259 977969430 /nfs/dbraw/zinc/96/94/30/977969430.db2.gz VXBPBTGOANSWCM-UEVCKROQSA-N 1 0 403.526 3.883 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431133109 978039920 /nfs/dbraw/zinc/03/99/20/978039920.db2.gz RKCBSPDJMPBQFN-SFTDATJTSA-N 1 0 407.514 3.786 20 30 HHEDRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431977752 978627582 /nfs/dbraw/zinc/62/75/82/978627582.db2.gz PMQZUIYWWJYXTJ-ZJSXRUAMSA-N 1 0 419.573 3.931 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432085656 978674412 /nfs/dbraw/zinc/67/44/12/978674412.db2.gz RGANFWVFEALONR-KRWDZBQOSA-N 1 0 406.368 3.674 20 30 HHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000432536829 978871445 /nfs/dbraw/zinc/87/14/45/978871445.db2.gz RXJVNGDAPJNADK-IBGZPJMESA-N 1 0 409.555 3.676 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCCO1 ZINC000432542046 978875721 /nfs/dbraw/zinc/87/57/21/978875721.db2.gz MTFXXBNEMQEIII-QGZVFWFLSA-N 1 0 411.477 3.720 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432563689 978888764 /nfs/dbraw/zinc/88/87/64/978888764.db2.gz VJCIEKOMTRVTPG-LJQANCHMSA-N 1 0 407.514 3.890 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000432620877 978913496 /nfs/dbraw/zinc/91/34/96/978913496.db2.gz VFBGTIWKZZMDML-DEOSSOPVSA-N 1 0 402.542 3.969 20 30 HHEDRO C[C@H](c1ccccc1)N1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433012485 979041526 /nfs/dbraw/zinc/04/15/26/979041526.db2.gz TWPMRMURKGILQE-QPPBQGQZSA-N 1 0 404.558 3.917 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(CO)(c3ccccc3)CC2)sc2c1CCCC2 ZINC000433060686 979055025 /nfs/dbraw/zinc/05/50/25/979055025.db2.gz ZWHZHKBFJSIJHQ-UHFFFAOYSA-N 1 0 423.582 3.853 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433118715 979081891 /nfs/dbraw/zinc/08/18/91/979081891.db2.gz YPDWGBSDYYCKJZ-NRFANRHFSA-N 1 0 420.582 3.713 20 30 HHEDRO O[C@@H](COCC(F)(F)F)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000433196521 979135069 /nfs/dbraw/zinc/13/50/69/979135069.db2.gz KLAQUJFIMQTKMT-GFCCVEGCSA-N 1 0 403.338 3.906 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2nc(C(F)(F)F)cs2)c(-c2ccncc2)n1 ZINC000433311858 979229258 /nfs/dbraw/zinc/22/92/58/979229258.db2.gz OFLPDRAXIGBEMG-UHFFFAOYSA-N 1 0 406.437 3.666 20 30 HHEDRO CC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CCc2ccccc2C1 ZINC000433318055 979233007 /nfs/dbraw/zinc/23/30/07/979233007.db2.gz MYYDCHOVWHZYJF-XMMPIXPASA-N 1 0 414.557 3.785 20 30 HHEDRO Cc1ccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)N2CCCC2)o1 ZINC000433336951 979246213 /nfs/dbraw/zinc/24/62/13/979246213.db2.gz XMGVBBQONJSWLQ-NRFANRHFSA-N 1 0 404.518 3.687 20 30 HHEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1Cl ZINC000433341010 979249179 /nfs/dbraw/zinc/24/91/79/979249179.db2.gz QTYXGLPUBIKDIS-OAQYLSRUSA-N 1 0 408.937 3.905 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433366821 979257694 /nfs/dbraw/zinc/25/76/94/979257694.db2.gz OVDLVKQIXGJNNZ-XZOQPEGZSA-N 1 0 405.542 3.978 20 30 HHEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CNc1ccc(C#N)cc1 ZINC000434360151 980114350 /nfs/dbraw/zinc/11/43/50/980114350.db2.gz OLLFARNHSNCGCR-JOCHJYFZSA-N 1 0 414.513 3.561 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CN[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434866869 980457636 /nfs/dbraw/zinc/45/76/36/980457636.db2.gz FAYZTZDBKUJYJK-HMFYCAOWSA-N 1 0 422.598 3.993 20 30 HHEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1Br ZINC000434878769 980463759 /nfs/dbraw/zinc/46/37/59/980463759.db2.gz FQSOILVRJWALNL-NHYWBVRUSA-N 1 0 420.332 3.847 20 30 HHEDRO COC(=O)[C@@H](Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1cccc(C#N)c1 ZINC000434881530 980465611 /nfs/dbraw/zinc/46/56/11/980465611.db2.gz VRYXPRNETOKRPN-QHCPKHFHSA-N 1 0 420.513 3.699 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000435002895 980562569 /nfs/dbraw/zinc/56/25/69/980562569.db2.gz ADLAIKJFHHFXSB-FQEVSTJZSA-N 1 0 409.486 3.604 20 30 HHEDRO CC[NH+](CC)CCOc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)ccc1OC ZINC000435010341 980568396 /nfs/dbraw/zinc/56/83/96/980568396.db2.gz XYDZMNYLQNBURX-UHFFFAOYSA-N 1 0 407.514 3.958 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131003 980662055 /nfs/dbraw/zinc/66/20/55/980662055.db2.gz AHQSRNZQKAPAFA-SFTDATJTSA-N 1 0 406.578 3.945 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000435176078 980699420 /nfs/dbraw/zinc/69/94/20/980699420.db2.gz FCXKUSOFPSECOL-UHFFFAOYSA-N 1 0 400.748 3.595 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC000435539326 980929498 /nfs/dbraw/zinc/92/94/98/980929498.db2.gz GOXAHLXXYRCLCA-UHFFFAOYSA-N 1 0 417.513 3.957 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)cc1C#N ZINC000435556103 980939986 /nfs/dbraw/zinc/93/99/86/980939986.db2.gz KHHCFBBMSCZGSM-UHFFFAOYSA-N 1 0 410.518 3.650 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(C(F)(F)F)c1 ZINC000435629469 980967213 /nfs/dbraw/zinc/96/72/13/980967213.db2.gz XOZVWOVNLKOIIM-INIZCTEOSA-N 1 0 415.481 3.652 20 30 HHEDRO Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000436080154 981191250 /nfs/dbraw/zinc/19/12/50/981191250.db2.gz DIJKVQJEKVUQGW-UHFFFAOYSA-N 1 0 414.509 3.712 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)C2)c(F)c1 ZINC000436232377 981261166 /nfs/dbraw/zinc/26/11/66/981261166.db2.gz OHTPVHVNXJHVIC-OAQYLSRUSA-N 1 0 407.468 3.840 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 ZINC000436267893 981277347 /nfs/dbraw/zinc/27/73/47/981277347.db2.gz DWYXPARCOCOVID-UHFFFAOYSA-N 1 0 405.380 3.593 20 30 HHEDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436344054 981313118 /nfs/dbraw/zinc/31/31/18/981313118.db2.gz KIPQUHWUPLNAEQ-RBUKOAKNSA-N 1 0 420.557 3.773 20 30 HHEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000436501172 981404160 /nfs/dbraw/zinc/40/41/60/981404160.db2.gz BSHWUSYRQLEKMU-UHFFFAOYSA-N 1 0 409.534 3.698 20 30 HHEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000436503319 981406109 /nfs/dbraw/zinc/40/61/09/981406109.db2.gz LSXLKYYLVDWGNV-UHFFFAOYSA-N 1 0 409.534 3.698 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000448199533 981611468 /nfs/dbraw/zinc/61/14/68/981611468.db2.gz VPVLMFLOALHUPI-RXVVDRJESA-N 1 0 405.498 3.819 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448223561 981637994 /nfs/dbraw/zinc/63/79/94/981637994.db2.gz OQKGVFSSUBZHOD-YLJYHZDGSA-N 1 0 405.464 3.715 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OCC(F)(F)F ZINC000448383144 981740085 /nfs/dbraw/zinc/74/00/85/981740085.db2.gz OPJIHYNJJOLXDJ-KSSFIOAISA-N 1 0 422.451 3.980 20 30 HHEDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437096695 981759761 /nfs/dbraw/zinc/75/97/61/981759761.db2.gz MTJCXLKGQCUFOK-LEUVYRNLSA-N 1 0 405.546 3.538 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000437263860 981921171 /nfs/dbraw/zinc/92/11/71/981921171.db2.gz UZUPQQPSMCPANG-BMIGLBTASA-N 1 0 404.146 3.865 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)cc1OC ZINC000437342374 981992628 /nfs/dbraw/zinc/99/26/28/981992628.db2.gz DIJGDIGQJISWQG-CABCVRRESA-N 1 0 412.324 3.844 20 30 HHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460389904 982169722 /nfs/dbraw/zinc/16/97/22/982169722.db2.gz UIZBPLKXWRTHDC-UNMCSNQZSA-N 1 0 407.562 3.985 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460566438 982351484 /nfs/dbraw/zinc/35/14/84/982351484.db2.gz RXUWSBKXSYAYDG-KGLIPLIRSA-N 1 0 407.360 3.531 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000460673868 982439519 /nfs/dbraw/zinc/43/95/19/982439519.db2.gz RDQFLWUOJAWUQH-GOSISDBHSA-N 1 0 419.639 3.622 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000437954863 982485666 /nfs/dbraw/zinc/48/56/66/982485666.db2.gz LMMMPDQLVIBDDN-KVSKMBFKSA-N 1 0 412.452 3.594 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460786674 982539371 /nfs/dbraw/zinc/53/93/71/982539371.db2.gz LCAMFNGPVXEEGW-LQWHRVPQSA-N 1 0 411.550 3.676 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460929164 982667392 /nfs/dbraw/zinc/66/73/92/982667392.db2.gz CVFIOUIGHZRHDV-JOCHJYFZSA-N 1 0 402.546 3.551 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460964187 982694564 /nfs/dbraw/zinc/69/45/64/982694564.db2.gz RTIYGMSZGREGFC-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO Cn1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000438479840 982828368 /nfs/dbraw/zinc/82/83/68/982828368.db2.gz QECLUKVFTBRUCN-UHFFFAOYSA-N 1 0 412.497 3.705 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 ZINC000461189536 982906993 /nfs/dbraw/zinc/90/69/93/982906993.db2.gz CTEYFKLAFADBPG-UHFFFAOYSA-N 1 0 411.575 3.518 20 30 HHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000438645595 982963780 /nfs/dbraw/zinc/96/37/80/982963780.db2.gz DNSYEFBVUFZULP-UHFFFAOYSA-N 1 0 420.435 3.882 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438661519 982979090 /nfs/dbraw/zinc/97/90/90/982979090.db2.gz SIPBNLOLYSFKLU-QFBILLFUSA-N 1 0 424.932 3.834 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)Nc3cc(F)cc(F)c3)CC2)c1 ZINC000438832877 983102912 /nfs/dbraw/zinc/10/29/12/983102912.db2.gz GFRNWAIDSVLBJN-UHFFFAOYSA-N 1 0 412.440 3.516 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000438836025 983105240 /nfs/dbraw/zinc/10/52/40/983105240.db2.gz DRHUHHSERAPGBY-DNQXCXABSA-N 1 0 419.573 3.709 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)on2)c1 ZINC000461454943 983121416 /nfs/dbraw/zinc/12/14/16/983121416.db2.gz JAGURBSQIFGXLP-YADHBBJMSA-N 1 0 412.493 3.807 20 30 HHEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000439348766 983375289 /nfs/dbraw/zinc/37/52/89/983375289.db2.gz AQHJCKXJOPJAEI-UHFFFAOYSA-N 1 0 405.502 3.760 20 30 HHEDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000439493608 983428959 /nfs/dbraw/zinc/42/89/59/983428959.db2.gz MZDHGHBJJSORAS-VQIMIIECSA-N 1 0 414.600 3.530 20 30 HHEDRO N#Cc1cccc(CCNC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000439503918 983431545 /nfs/dbraw/zinc/43/15/45/983431545.db2.gz JPJWGGQEZJXARN-UHFFFAOYSA-N 1 0 419.529 3.737 20 30 HHEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000439594198 983464428 /nfs/dbraw/zinc/46/44/28/983464428.db2.gz IWTPDCFUCRJZFT-UHFFFAOYSA-N 1 0 412.578 3.688 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000439636713 983479320 /nfs/dbraw/zinc/47/93/20/983479320.db2.gz DJPZATVFLBQCCS-IEGUWTFLSA-N 1 0 406.530 3.585 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439668981 983493348 /nfs/dbraw/zinc/49/33/48/983493348.db2.gz BKWDDMGVNPLFEA-HXUWFJFHSA-N 1 0 406.534 3.789 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000440049385 983625494 /nfs/dbraw/zinc/62/54/94/983625494.db2.gz IUWPHGLNNDXPFZ-APWZRJJASA-N 1 0 424.932 3.662 20 30 HHEDRO Cc1nc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1C#N ZINC000440431141 983754913 /nfs/dbraw/zinc/75/49/13/983754913.db2.gz OSBVNBSROHVYFJ-GOSISDBHSA-N 1 0 416.447 3.788 20 30 HHEDRO N#Cc1c(NC(=O)C[NH2+][C@@]2(CO)CCCc3ccccc32)sc2c1CCCCC2 ZINC000440483743 983773153 /nfs/dbraw/zinc/77/31/53/983773153.db2.gz GUAQPYGNFCKSMA-HSZRJFAPSA-N 1 0 409.555 3.641 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1C#N ZINC000440496826 983776703 /nfs/dbraw/zinc/77/67/03/983776703.db2.gz GCDNMQNQWKJOCK-UHFFFAOYSA-N 1 0 420.513 3.561 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000440537820 983788212 /nfs/dbraw/zinc/78/82/12/983788212.db2.gz ZTVOHLDYIZCJOU-GOSISDBHSA-N 1 0 424.932 3.521 20 30 HHEDRO COCCC[NH+]1CCC(Nc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440647977 983837657 /nfs/dbraw/zinc/83/76/57/983837657.db2.gz IGTLZMRVWAUXQI-UHFFFAOYSA-N 1 0 403.324 3.782 20 30 HHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H]1[NH+]1CCCC1 ZINC000440652040 983839402 /nfs/dbraw/zinc/83/94/02/983839402.db2.gz WMAAZCUYJSNRFT-DLBZAZTESA-N 1 0 417.376 3.885 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@H]2CO)sc2c1CCCCC2 ZINC000440909879 983966580 /nfs/dbraw/zinc/96/65/80/983966580.db2.gz GSRYDCWSYPTXRE-HXUWFJFHSA-N 1 0 409.555 3.809 20 30 HHEDRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000441242005 984133741 /nfs/dbraw/zinc/13/37/41/984133741.db2.gz ZMJPORGYSOECBZ-YADARESESA-N 1 0 419.573 3.823 20 30 HHEDRO Cc1oc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000441273482 984152424 /nfs/dbraw/zinc/15/24/24/984152424.db2.gz CQLMNYBMXFJZGM-ZIAGYGMSSA-N 1 0 403.910 3.674 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441412143 984238072 /nfs/dbraw/zinc/23/80/72/984238072.db2.gz IBOKSSSTBIUMAL-MAUKXSAKSA-N 1 0 424.467 3.532 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000441420267 984241426 /nfs/dbraw/zinc/24/14/26/984241426.db2.gz YYDBTXJSIWXWQF-GCJKJVERSA-N 1 0 414.981 3.844 20 30 HHEDRO N#CC1CCC(CNC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000441680462 984392167 /nfs/dbraw/zinc/39/21/67/984392167.db2.gz JIUBONMEOUNBAX-UHFFFAOYSA-N 1 0 411.550 3.953 20 30 HHEDRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000441800083 984462310 /nfs/dbraw/zinc/46/23/10/984462310.db2.gz JVVKWNHLBICRJL-UHFFFAOYSA-N 1 0 420.513 3.526 20 30 HHEDRO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)ccc1F ZINC000442055760 984614581 /nfs/dbraw/zinc/61/45/81/984614581.db2.gz UTAOQFCVGCQVIR-UHFFFAOYSA-N 1 0 410.371 3.979 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CSCc3ccccc3)c2)CC1 ZINC000442312168 984809387 /nfs/dbraw/zinc/80/93/87/984809387.db2.gz UONHSWFGIVTYKV-UHFFFAOYSA-N 1 0 423.582 3.825 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000461937033 984941530 /nfs/dbraw/zinc/94/15/30/984941530.db2.gz SNKXWFIDOBCXFR-BEFAXECRSA-N 1 0 419.957 3.615 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462090723 985061876 /nfs/dbraw/zinc/06/18/76/985061876.db2.gz XAKCWIAJQOSBFB-SFHVURJKSA-N 1 0 421.549 3.647 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1)CC1CC1 ZINC000462098661 985069394 /nfs/dbraw/zinc/06/93/94/985069394.db2.gz DLYYTSOIOJXZPI-UHFFFAOYSA-N 1 0 421.549 3.505 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000442634895 985110635 /nfs/dbraw/zinc/11/06/35/985110635.db2.gz OHJHIGIMLCJMHN-NRFANRHFSA-N 1 0 421.541 3.561 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000462191450 985173554 /nfs/dbraw/zinc/17/35/54/985173554.db2.gz SOCRBQDFMOXCRE-YCRPNKLZSA-N 1 0 408.571 3.607 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000443090089 985369626 /nfs/dbraw/zinc/36/96/26/985369626.db2.gz XTISMPFQKCKGAX-UHFFFAOYSA-N 1 0 403.470 3.512 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443091568 985370078 /nfs/dbraw/zinc/37/00/78/985370078.db2.gz FAVQRXWRYXNWIS-UHFFFAOYSA-N 1 0 411.980 3.806 20 30 HHEDRO COc1cc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000462469949 985427712 /nfs/dbraw/zinc/42/77/12/985427712.db2.gz BIISYUFLRJNIDL-UHFFFAOYSA-N 1 0 418.541 3.765 20 30 HHEDRO C[C@H](C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462547892 985495496 /nfs/dbraw/zinc/49/54/96/985495496.db2.gz JLSYBXJRQKGTJM-HBMCJLEFSA-N 1 0 419.569 3.987 20 30 HHEDRO C[C@@H](C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462547898 985495525 /nfs/dbraw/zinc/49/55/25/985495525.db2.gz JLSYBXJRQKGTJM-QHAWAJNXSA-N 1 0 419.569 3.987 20 30 HHEDRO N#CCSc1cccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000443336382 985502444 /nfs/dbraw/zinc/50/24/44/985502444.db2.gz RNKKVXRFTZCSCN-UHFFFAOYSA-N 1 0 413.518 3.715 20 30 HHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000443671183 985877278 /nfs/dbraw/zinc/87/72/78/985877278.db2.gz BOPWBWQDDWIESU-WOJBJXKFSA-N 1 0 421.541 3.756 20 30 HHEDRO COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000468235515 985932841 /nfs/dbraw/zinc/93/28/41/985932841.db2.gz SVFUDUZQPKYOFS-QFIPXVFZSA-N 1 0 420.557 3.760 20 30 HHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1 ZINC000443799127 985998877 /nfs/dbraw/zinc/99/88/77/985998877.db2.gz BUDCJDIUICJBCU-HXUWFJFHSA-N 1 0 423.488 3.817 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443843686 986045949 /nfs/dbraw/zinc/04/59/49/986045949.db2.gz OZLOJXLAICDILK-GCJKJVERSA-N 1 0 409.530 3.696 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443886465 986087060 /nfs/dbraw/zinc/08/70/60/986087060.db2.gz UIIIMXJOEMZQOZ-UHFFFAOYSA-N 1 0 420.391 3.689 20 30 HHEDRO N#CC1(CS(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000463347836 986315679 /nfs/dbraw/zinc/31/56/79/986315679.db2.gz FDLRRJADCQCVFK-UHFFFAOYSA-N 1 0 416.374 3.525 20 30 HHEDRO CC(C)(C#N)CCC[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000463420942 986391360 /nfs/dbraw/zinc/39/13/60/986391360.db2.gz DOJSUKDYDKTANC-XMMPIXPASA-N 1 0 418.585 3.992 20 30 HHEDRO O=C(C[N@H+](C[C@@H]1CCCO1)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444213071 986396480 /nfs/dbraw/zinc/39/64/80/986396480.db2.gz OTFMREBHHVPEOD-FQEVSTJZSA-N 1 0 408.464 3.597 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000463504116 986479994 /nfs/dbraw/zinc/47/99/94/986479994.db2.gz YZIMITPHVPMBBC-JOCHJYFZSA-N 1 0 410.514 3.836 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463506958 986482480 /nfs/dbraw/zinc/48/24/80/986482480.db2.gz MQMWGGYBOQUMLS-QZTJIDSGSA-N 1 0 401.432 3.669 20 30 HHEDRO Cc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cccc1C(=O)Nc1ccccc1 ZINC000444400310 986580176 /nfs/dbraw/zinc/58/01/76/986580176.db2.gz WENAFEBIQRGOTA-UHFFFAOYSA-N 1 0 407.518 3.947 20 30 HHEDRO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468897760 986604091 /nfs/dbraw/zinc/60/40/91/986604091.db2.gz HEYLDAFEPZAOPJ-DYESRHJHSA-N 1 0 400.482 3.854 20 30 HHEDRO C=CCN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000444458418 986640598 /nfs/dbraw/zinc/64/05/98/986640598.db2.gz FATVQCNHHOZURI-UHFFFAOYSA-N 1 0 410.587 3.602 20 30 HHEDRO C=CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000444463753 986646107 /nfs/dbraw/zinc/64/61/07/986646107.db2.gz YNLONELAKKSYJN-UHFFFAOYSA-N 1 0 410.587 3.997 20 30 HHEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000469034458 986744314 /nfs/dbraw/zinc/74/43/14/986744314.db2.gz QVVFUUKHCVJODE-FQEVSTJZSA-N 1 0 417.340 3.887 20 30 HHEDRO C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444555923 986747704 /nfs/dbraw/zinc/74/77/04/986747704.db2.gz UHZZWXNZVKCIQN-SFHVURJKSA-N 1 0 423.582 3.768 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444627830 986814414 /nfs/dbraw/zinc/81/44/14/986814414.db2.gz ZIYIRMIAJGXLPD-AREMUKBSSA-N 1 0 416.613 3.988 20 30 HHEDRO C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1)C(=O)NC1(C#N)CCC1 ZINC000469104988 986820698 /nfs/dbraw/zinc/82/06/98/986820698.db2.gz UQHFJKJVMKIZBK-IBGZPJMESA-N 1 0 413.525 3.639 20 30 HHEDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677690 986859303 /nfs/dbraw/zinc/85/93/03/986859303.db2.gz UOKCVIKAVGQNFQ-DHIUTWEWSA-N 1 0 406.526 3.929 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4nccn4C)C3)sc2C1 ZINC000444791412 986946656 /nfs/dbraw/zinc/94/66/56/986946656.db2.gz BMFAGBNQRFAZDI-JKSUJKDBSA-N 1 0 411.575 3.686 20 30 HHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000469255223 986974547 /nfs/dbraw/zinc/97/45/47/986974547.db2.gz NXGSRDFIKJLDTL-SCLBCKFNSA-N 1 0 414.303 3.785 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444826177 986982448 /nfs/dbraw/zinc/98/24/48/986982448.db2.gz YNBQPWZQQBJVCN-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000469437418 987123842 /nfs/dbraw/zinc/12/38/42/987123842.db2.gz YCGYCFRIHXSYEZ-ZEQRLZLVSA-N 1 0 420.557 3.798 20 30 HHEDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000469759782 987413436 /nfs/dbraw/zinc/41/34/36/987413436.db2.gz CYGYQVABHBKZDX-MRXNPFEDSA-N 1 0 414.465 3.696 20 30 HHEDRO FC(F)(F)c1ccc(O[C@@H]2CC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)nc1 ZINC000469786516 987432139 /nfs/dbraw/zinc/43/21/39/987432139.db2.gz OEBCDDFCLQSYDC-LLVKDONJSA-N 1 0 408.289 3.768 20 30 HHEDRO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000470030900 987642698 /nfs/dbraw/zinc/64/26/98/987642698.db2.gz RPOYYQYKTAOLKN-RPWUZVMVSA-N 1 0 420.557 3.860 20 30 HHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000470232131 988167398 /nfs/dbraw/zinc/16/73/98/988167398.db2.gz JOLAABHSFUSLBE-QFIPXVFZSA-N 1 0 403.526 3.941 20 30 HHEDRO N#CCCCC[NH2+]Cc1cc(I)c(Br)cc1F ZINC000464059773 988180937 /nfs/dbraw/zinc/18/09/37/988180937.db2.gz ZHNKSEYUROZGAF-UHFFFAOYSA-N 1 0 411.056 3.976 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1C ZINC000470309972 988267559 /nfs/dbraw/zinc/26/75/59/988267559.db2.gz UPPANEQUWUUPTL-UHFFFAOYSA-N 1 0 407.562 3.932 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000470479282 988468586 /nfs/dbraw/zinc/46/85/86/988468586.db2.gz CUZSNINQKLUXMI-SFHVURJKSA-N 1 0 405.498 3.676 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H]1C ZINC000470545344 988553204 /nfs/dbraw/zinc/55/32/04/988553204.db2.gz DJMKKAVZDMGZFL-PXNSSMCTSA-N 1 0 411.550 3.606 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470555393 988569952 /nfs/dbraw/zinc/56/99/52/988569952.db2.gz HSSBOWWGYPOISY-QFIPXVFZSA-N 1 0 419.529 3.694 20 30 HHEDRO C=CCOCCC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000470777600 988828337 /nfs/dbraw/zinc/82/83/37/988828337.db2.gz YAHJDVRECIOFJM-UHFFFAOYSA-N 1 0 401.288 3.727 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470967324 989031568 /nfs/dbraw/zinc/03/15/68/989031568.db2.gz KHPHTGPIRHIZQC-RPWUZVMVSA-N 1 0 400.526 3.611 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C#N ZINC000470974681 989038691 /nfs/dbraw/zinc/03/86/91/989038691.db2.gz KLCSAEODILFYMN-NRFANRHFSA-N 1 0 419.573 3.568 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000470993553 989058733 /nfs/dbraw/zinc/05/87/33/989058733.db2.gz OADVQBSAHCFGKO-AOYPEHQESA-N 1 0 412.537 3.755 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834716 989077322 /nfs/dbraw/zinc/07/73/22/989077322.db2.gz SYKNHULZOPXERQ-HKUYNNGSSA-N 1 0 410.949 3.993 20 30 HHEDRO Cc1ccc([C@H]2CC[N@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012622 989082012 /nfs/dbraw/zinc/08/20/12/989082012.db2.gz RJEISHRDROYLMO-UNMCSNQZSA-N 1 0 422.598 3.563 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000464974688 989275406 /nfs/dbraw/zinc/27/54/06/989275406.db2.gz UXUAYWXFIPKHEJ-FQEVSTJZSA-N 1 0 419.525 3.890 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(I)ccc2Cl)CC1 ZINC000471286032 989442093 /nfs/dbraw/zinc/44/20/93/989442093.db2.gz IADDTYUNYWJSFR-UHFFFAOYSA-N 1 0 418.706 3.715 20 30 HHEDRO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471573056 989774982 /nfs/dbraw/zinc/77/49/82/989774982.db2.gz JDGLDIUQAFTFLQ-VQIMIIECSA-N 1 0 404.436 3.728 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000471580686 989784311 /nfs/dbraw/zinc/78/43/11/989784311.db2.gz KBELVAFHQSQXEW-XMMPIXPASA-N 1 0 421.541 3.710 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000471581665 989785593 /nfs/dbraw/zinc/78/55/93/989785593.db2.gz QGOFGBWYLWHWAE-DEOSSOPVSA-N 1 0 421.541 3.710 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)C2)n1 ZINC000471822280 990002153 /nfs/dbraw/zinc/00/21/53/990002153.db2.gz MUCDPHMZMAEKEK-QHCPKHFHSA-N 1 0 419.573 3.635 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)C2)n1 ZINC000471864404 990036882 /nfs/dbraw/zinc/03/68/82/990036882.db2.gz RZAMXZISLQWDPT-UGKGYDQZSA-N 1 0 419.573 3.724 20 30 HHEDRO C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000465683176 990067552 /nfs/dbraw/zinc/06/75/52/990067552.db2.gz DQHADJBEOAVKBJ-YGOYIFOWSA-N 1 0 402.542 3.915 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000471950826 990115073 /nfs/dbraw/zinc/11/50/73/990115073.db2.gz BTGOWXFGSNFGSF-DEOSSOPVSA-N 1 0 400.526 3.789 20 30 HHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000471956663 990121469 /nfs/dbraw/zinc/12/14/69/990121469.db2.gz SGOBCVUAOZDLFQ-UHFFFAOYSA-N 1 0 400.914 3.737 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465855631 990966350 /nfs/dbraw/zinc/96/63/50/990966350.db2.gz BBFNCVRSTQJCLM-HNNXBMFYSA-N 1 0 410.356 3.556 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000465861271 990972827 /nfs/dbraw/zinc/97/28/27/990972827.db2.gz GTTUZHSECCMGAV-SFHVURJKSA-N 1 0 404.986 3.769 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)CCCC2)CC1 ZINC000465902298 991030553 /nfs/dbraw/zinc/03/05/53/991030553.db2.gz JTRNRHJLVXDOKF-DHIUTWEWSA-N 1 0 424.589 3.891 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NCCOc3ccc(C#N)cc3)c2)CC1 ZINC000465932011 991067399 /nfs/dbraw/zinc/06/73/99/991067399.db2.gz ABHURZGCDGLXOY-UHFFFAOYSA-N 1 0 406.530 3.668 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000465940318 991078820 /nfs/dbraw/zinc/07/88/20/991078820.db2.gz YOWLMCIIHSZOFM-SFHVURJKSA-N 1 0 420.410 3.790 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000466251356 991490893 /nfs/dbraw/zinc/49/08/93/991490893.db2.gz PEDQBVJINLRTDD-UHFFFAOYSA-N 1 0 411.502 3.711 20 30 HHEDRO CCO[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C12CCCC2 ZINC000466435280 991723432 /nfs/dbraw/zinc/72/34/32/991723432.db2.gz XHQDNPGILWMOHD-YADHBBJMSA-N 1 0 410.562 3.513 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000466974119 992286166 /nfs/dbraw/zinc/28/61/66/992286166.db2.gz JHMNLBLFDACDRK-UHFFFAOYSA-N 1 0 403.448 3.660 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000467135854 992452612 /nfs/dbraw/zinc/45/26/12/992452612.db2.gz KWEKVSOPPAPTCJ-YJBOKZPZSA-N 1 0 419.497 3.510 20 30 HHEDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000467165531 992483735 /nfs/dbraw/zinc/48/37/35/992483735.db2.gz MTYAXHKHRMMHPS-RBUKOAKNSA-N 1 0 412.578 3.724 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000467486175 992775340 /nfs/dbraw/zinc/77/53/40/992775340.db2.gz NMQDUGYIGNFULR-YOEHRIQHSA-N 1 0 400.429 3.944 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C1 ZINC000472165118 993213260 /nfs/dbraw/zinc/21/32/60/993213260.db2.gz VXKNTFFEKQSEFM-QHCPKHFHSA-N 1 0 406.530 3.875 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1Cl ZINC000472272956 993294152 /nfs/dbraw/zinc/29/41/52/993294152.db2.gz FMIDSWVJPZZMLN-HXUWFJFHSA-N 1 0 424.932 3.825 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472300421 993314009 /nfs/dbraw/zinc/31/40/09/993314009.db2.gz PZTUHAKBBHFLCH-QTJGBDASSA-N 1 0 402.542 3.990 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C#N)ccc3OC)CC[N@@H+]2C2CC2)c1 ZINC000472310597 993322174 /nfs/dbraw/zinc/32/21/74/993322174.db2.gz GQJTZQREUHCFSH-SIKLNZKXSA-N 1 0 406.486 3.675 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000472440168 993443211 /nfs/dbraw/zinc/44/32/11/993443211.db2.gz WNBGAOAHAVPQPP-RBUKOAKNSA-N 1 0 408.546 3.754 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccnc1 ZINC000472555970 993532220 /nfs/dbraw/zinc/53/22/20/993532220.db2.gz WQHVMLRAXQZSDW-UHFFFAOYSA-N 1 0 412.559 3.761 20 30 HHEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000480775337 993641035 /nfs/dbraw/zinc/64/10/35/993641035.db2.gz BTLWVUJRXYSFEN-IBGZPJMESA-N 1 0 409.965 3.641 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472947928 993878212 /nfs/dbraw/zinc/87/82/12/993878212.db2.gz GKIMZPLODXJDKH-HNNXBMFYSA-N 1 0 412.361 3.983 20 30 HHEDRO CN(Cc1ccc(C#N)cc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000481149850 993983945 /nfs/dbraw/zinc/98/39/45/993983945.db2.gz ZFBBSSFTBXFDAJ-UHFFFAOYSA-N 1 0 413.363 3.855 20 30 HHEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184759 994016401 /nfs/dbraw/zinc/01/64/01/994016401.db2.gz FLNKXXVDEOVSJW-ZFGGDYGUSA-N 1 0 404.558 3.822 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1)c1ccccc1 ZINC000481205615 994038646 /nfs/dbraw/zinc/03/86/46/994038646.db2.gz WKCRAXIIKGQNQB-OAQYLSRUSA-N 1 0 420.488 3.760 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000473194514 994057958 /nfs/dbraw/zinc/05/79/58/994057958.db2.gz QFUYWYDBPCFYOL-LJQANCHMSA-N 1 0 401.576 3.537 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000481266608 994085407 /nfs/dbraw/zinc/08/54/07/994085407.db2.gz CXVCXVCPCPAZDO-FCHUYYIVSA-N 1 0 422.598 3.978 20 30 HHEDRO C=C(C)[C@H](N[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617675 994476708 /nfs/dbraw/zinc/47/67/08/994476708.db2.gz WFMQIUDVTHNFMG-LLBVYWAGSA-N 1 0 413.512 3.951 20 30 HHEDRO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481672533 994532352 /nfs/dbraw/zinc/53/23/52/994532352.db2.gz ZXWXOQVLCABDGU-HSZRJFAPSA-N 1 0 411.571 3.943 20 30 HHEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000481834860 994686576 /nfs/dbraw/zinc/68/65/76/994686576.db2.gz CAQDAOOPHORUMS-IBGZPJMESA-N 1 0 414.347 3.890 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481848637 994704274 /nfs/dbraw/zinc/70/42/74/994704274.db2.gz OZEOJTVCEIVDDB-NGYIFUPDSA-N 1 0 403.526 3.839 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000473793837 994718142 /nfs/dbraw/zinc/71/81/42/994718142.db2.gz HWYMWHMPZUZLBY-MTNREXPMSA-N 1 0 419.525 3.893 20 30 HHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000481872404 994735695 /nfs/dbraw/zinc/73/56/95/994735695.db2.gz WFUGYHNMWKXQNZ-VQIMIIECSA-N 1 0 401.919 3.517 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473819608 994747975 /nfs/dbraw/zinc/74/79/75/994747975.db2.gz HGJHSFLBQITKFQ-UHFFFAOYSA-N 1 0 423.517 3.957 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000481904635 994776120 /nfs/dbraw/zinc/77/61/20/994776120.db2.gz LYYYEBPVAHTQBO-UHFFFAOYSA-N 1 0 410.906 3.697 20 30 HHEDRO CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481913231 994786294 /nfs/dbraw/zinc/78/62/94/994786294.db2.gz DLYXREFBNOTUJH-DEOSSOPVSA-N 1 0 402.542 3.503 20 30 HHEDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473986340 994973617 /nfs/dbraw/zinc/97/36/17/994973617.db2.gz JLADEGWFUOTEQU-VXKWHMMOSA-N 1 0 417.513 3.901 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000473988207 994975847 /nfs/dbraw/zinc/97/58/47/994975847.db2.gz SFQNLMNGZDKXOF-REWPJTCUSA-N 1 0 409.530 3.646 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Br)cc1 ZINC000482102555 995047731 /nfs/dbraw/zinc/04/77/31/995047731.db2.gz SNMBPSFJXCAEMY-UHFFFAOYSA-N 1 0 414.347 3.844 20 30 HHEDRO Cn1cc(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccc(F)cc21 ZINC000474077339 995062728 /nfs/dbraw/zinc/06/27/28/995062728.db2.gz AAEHLDUGSLOFDD-UHFFFAOYSA-N 1 0 421.520 3.505 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474215770 995210247 /nfs/dbraw/zinc/21/02/47/995210247.db2.gz MUUJONOSNKYENQ-GOSISDBHSA-N 1 0 408.571 3.643 20 30 HHEDRO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474236159 995233368 /nfs/dbraw/zinc/23/33/68/995233368.db2.gz XFLMOCVXALABQW-QFIPXVFZSA-N 1 0 410.949 3.793 20 30 HHEDRO N#Cc1ccc(Cl)cc1OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000474402603 995371960 /nfs/dbraw/zinc/37/19/60/995371960.db2.gz KHOMSQKXBZDKAW-UHFFFAOYSA-N 1 0 401.919 3.778 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482695622 995687031 /nfs/dbraw/zinc/68/70/31/995687031.db2.gz SZPVUXVUMBGGBA-PGRDOPGGSA-N 1 0 402.441 3.600 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000482736697 995715438 /nfs/dbraw/zinc/71/54/38/995715438.db2.gz XLZDXJWVZQAFDQ-WMZHIEFXSA-N 1 0 416.468 3.990 20 30 HHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482888850 995820014 /nfs/dbraw/zinc/82/00/14/995820014.db2.gz LIQZPNZFJGSSEY-AAIMPIBUSA-N 1 0 407.537 3.561 20 30 HHEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nnn1-c1ccccc1 ZINC000482889339 995820638 /nfs/dbraw/zinc/82/06/38/995820638.db2.gz MAEJXUPAICLPFD-VQIMIIECSA-N 1 0 404.493 3.906 20 30 HHEDRO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)c1 ZINC000482952115 995877264 /nfs/dbraw/zinc/87/72/64/995877264.db2.gz XDKRYSSHDWFUOX-MMPATGFWSA-N 1 0 411.590 3.684 20 30 HHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC[C@@H]21 ZINC000482974581 995893411 /nfs/dbraw/zinc/89/34/11/995893411.db2.gz BFYNBOGDRSJGTE-UGKGYDQZSA-N 1 0 417.513 3.759 20 30 HHEDRO COc1ccc(CN(CCc2ccccn2)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000483073986 995955744 /nfs/dbraw/zinc/95/57/44/995955744.db2.gz LTDMSJXZCWYIBX-UHFFFAOYSA-N 1 0 400.482 3.645 20 30 HHEDRO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000483208690 996038829 /nfs/dbraw/zinc/03/88/29/996038829.db2.gz ZJNOQKPOZLURHJ-UHFFFAOYSA-N 1 0 401.532 3.613 20 30 HHEDRO CC1(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000483246802 996058465 /nfs/dbraw/zinc/05/84/65/996058465.db2.gz LQOASTSDODSZIY-QHCPKHFHSA-N 1 0 403.526 3.760 20 30 HHEDRO CC1(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000483265691 996070609 /nfs/dbraw/zinc/07/06/09/996070609.db2.gz USMFCVNACZIVOW-UHFFFAOYSA-N 1 0 413.525 3.867 20 30 HHEDRO Cn1cc(C[NH+]2CCC(Oc3ccccc3I)CC2)cc1C#N ZINC000483298656 996086782 /nfs/dbraw/zinc/08/67/82/996086782.db2.gz RCQPKLMZXMCRSU-UHFFFAOYSA-N 1 0 421.282 3.545 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315047 996093864 /nfs/dbraw/zinc/09/38/64/996093864.db2.gz NAXBLZMQTVCCDK-JTHBVZDNSA-N 1 0 415.484 3.518 20 30 HHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000475457521 996152936 /nfs/dbraw/zinc/15/29/36/996152936.db2.gz ICVYIRDTYYGCTP-FQEVSTJZSA-N 1 0 420.513 3.622 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000483409520 996159723 /nfs/dbraw/zinc/15/97/23/996159723.db2.gz UFJRPYSXNLJJIP-XZOQPEGZSA-N 1 0 421.566 3.789 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000483409517 996159772 /nfs/dbraw/zinc/15/97/72/996159772.db2.gz UFJRPYSXNLJJIP-DHIUTWEWSA-N 1 0 421.566 3.789 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483478367 996206485 /nfs/dbraw/zinc/20/64/85/996206485.db2.gz SZHDQIWDVPYAKW-WNOPAQSVSA-N 1 0 402.542 3.872 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483482793 996209166 /nfs/dbraw/zinc/20/91/66/996209166.db2.gz KYZRXONNVTZPSL-MZYLBHOOSA-N 1 0 408.590 3.704 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475564838 996221584 /nfs/dbraw/zinc/22/15/84/996221584.db2.gz BYSLLJUJTRHHBO-UHFFFAOYSA-N 1 0 405.951 3.744 20 30 HHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)C1 ZINC000475632215 996264136 /nfs/dbraw/zinc/26/41/36/996264136.db2.gz DVBHDVJYIMYXJB-QRQLOZEOSA-N 1 0 423.342 3.928 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC000483586204 996267306 /nfs/dbraw/zinc/26/73/06/996267306.db2.gz DBTZWQBVKMNRSR-UHFFFAOYSA-N 1 0 414.456 3.942 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000475662422 996285225 /nfs/dbraw/zinc/28/52/25/996285225.db2.gz POSOROOGYGTGAS-UHFFFAOYSA-N 1 0 406.486 3.679 20 30 HHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475744851 996342693 /nfs/dbraw/zinc/34/26/93/996342693.db2.gz CRSZJMGRXWRRLL-HXUWFJFHSA-N 1 0 414.347 3.918 20 30 HHEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000483724332 996350781 /nfs/dbraw/zinc/35/07/81/996350781.db2.gz KVJYPGACQITRQK-NHCUHLMSSA-N 1 0 412.509 3.650 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475789875 996372965 /nfs/dbraw/zinc/37/29/65/996372965.db2.gz KRPDMARZZSHXTB-FPOVZHCZSA-N 1 0 403.592 3.775 20 30 HHEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(OC(F)F)c1 ZINC000475816823 996389712 /nfs/dbraw/zinc/38/97/12/996389712.db2.gz PDENJQGUJDXUBC-UHFFFAOYSA-N 1 0 415.440 3.585 20 30 HHEDRO N#Cc1ccc(CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C2CC2)cc1 ZINC000483848218 996424617 /nfs/dbraw/zinc/42/46/17/996424617.db2.gz QASICNHAPHTRBI-UHFFFAOYSA-N 1 0 412.603 3.984 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000476048950 996566530 /nfs/dbraw/zinc/56/65/30/996566530.db2.gz IFJXPJPJKYJNIH-LPHOPBHVSA-N 1 0 402.420 3.785 20 30 HHEDRO Cc1cc(C)n(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2F)n1 ZINC000484119150 996580365 /nfs/dbraw/zinc/58/03/65/996580365.db2.gz TWOVRTRUHCNDRB-UHFFFAOYSA-N 1 0 419.504 3.704 20 30 HHEDRO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000484299421 996687839 /nfs/dbraw/zinc/68/78/39/996687839.db2.gz PEBZDMXOOVEZRV-DEOSSOPVSA-N 1 0 405.498 3.527 20 30 HHEDRO C[C@@H]1C[C@H](CCNS(=O)(=O)CC2(C#N)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000476424785 996892750 /nfs/dbraw/zinc/89/27/50/996892750.db2.gz HOVKDDWOWARFKD-CTNGQTDRSA-N 1 0 403.592 3.681 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000476443072 996914550 /nfs/dbraw/zinc/91/45/50/996914550.db2.gz IRODBDCKHJRKTJ-NRFANRHFSA-N 1 0 407.514 3.626 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC(C)(C)CC[NH+]3CCCCCC3)C2)n1 ZINC000476819936 997378657 /nfs/dbraw/zinc/37/86/57/997378657.db2.gz OFQZBIJEMYSAPG-NRFANRHFSA-N 1 0 411.594 3.639 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(F)cc(Br)c3)C2=O)cc1 ZINC000485245076 997628761 /nfs/dbraw/zinc/62/87/61/997628761.db2.gz LBGUETKAYZYDSK-SFHVURJKSA-N 1 0 402.267 3.745 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(F)c(Br)c3)C2=O)cc1 ZINC000485280632 997676188 /nfs/dbraw/zinc/67/61/88/997676188.db2.gz AYLCBUXPYYKGAK-GOSISDBHSA-N 1 0 402.267 3.745 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)C2=O)cc1 ZINC000485331776 997746234 /nfs/dbraw/zinc/74/62/34/997746234.db2.gz OHWLWGDBEWRTRR-IBGZPJMESA-N 1 0 411.889 3.658 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000477157427 997817899 /nfs/dbraw/zinc/81/78/99/997817899.db2.gz FWHXHJHONDRRLM-IIAWOOMASA-N 1 0 415.481 3.603 20 30 HHEDRO Cc1ccc(CNC(=O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc1F ZINC000477165655 997830883 /nfs/dbraw/zinc/83/08/83/997830883.db2.gz SOQQOONRVWDDQR-UHFFFAOYSA-N 1 0 409.505 3.803 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc2ncsc2c1 ZINC000485839007 998304468 /nfs/dbraw/zinc/30/44/68/998304468.db2.gz CNVOKNNHAQWCQO-AWEZNQCLSA-N 1 0 402.483 3.643 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCc2c(C)cc(C)cc2C1 ZINC000485893603 998347327 /nfs/dbraw/zinc/34/73/27/998347327.db2.gz ITTLPYDOOHCUEL-UHFFFAOYSA-N 1 0 408.546 3.627 20 30 HHEDRO CCN(CCC#N)C(=O)C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000477637676 998355517 /nfs/dbraw/zinc/35/55/17/998355517.db2.gz OTRFTRGFMYCULV-UHFFFAOYSA-N 1 0 421.541 3.623 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000477712094 998433808 /nfs/dbraw/zinc/43/38/08/998433808.db2.gz CPAGTSSLBXOEIG-UHFFFAOYSA-N 1 0 421.541 3.950 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)c2)cc1 ZINC000486039997 998487098 /nfs/dbraw/zinc/48/70/98/998487098.db2.gz CRENCNPNELWSKN-UHFFFAOYSA-N 1 0 419.525 3.925 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000477747445 998490224 /nfs/dbraw/zinc/49/02/24/998490224.db2.gz PKJMRBFHXDTKIZ-DEOSSOPVSA-N 1 0 421.541 3.805 20 30 HHEDRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477760687 998508237 /nfs/dbraw/zinc/50/82/37/998508237.db2.gz NNILYRBXLVOSSX-KBPBESRZSA-N 1 0 416.875 3.745 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC)ccc2OCc2ccccc2)CC1 ZINC000477953825 998678902 /nfs/dbraw/zinc/67/89/02/998678902.db2.gz DDNQQWUKMOKLOS-UHFFFAOYSA-N 1 0 423.513 3.824 20 30 HHEDRO N#CCCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000486311115 998706619 /nfs/dbraw/zinc/70/66/19/998706619.db2.gz LZCNQNPQUKJPKO-FQEVSTJZSA-N 1 0 405.498 3.617 20 30 HHEDRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000478170591 998799874 /nfs/dbraw/zinc/79/98/74/998799874.db2.gz FYEMGYYVDSWVOF-INIZCTEOSA-N 1 0 412.896 3.692 20 30 HHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000478374036 998923694 /nfs/dbraw/zinc/92/36/94/998923694.db2.gz SMQYKEJSQVOVQA-LEWJYISDSA-N 1 0 401.466 3.558 20 30 HHEDRO N#Cc1c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cn2ccccc12 ZINC000486819332 998954478 /nfs/dbraw/zinc/95/44/78/998954478.db2.gz DNLNZHPKTLFXOQ-NTKDMRAZSA-N 1 0 410.481 3.810 20 30 HHEDRO CCCCOc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC ZINC000486885321 998991080 /nfs/dbraw/zinc/99/10/80/998991080.db2.gz UFUJVIZPWDWAFX-NRFANRHFSA-N 1 0 407.514 3.636 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000487003403 999032384 /nfs/dbraw/zinc/03/23/84/999032384.db2.gz XZOIWWDDINSBNV-FQEVSTJZSA-N 1 0 418.463 3.978 20 30 HHEDRO CC(C)([C@H](NC(=O)CNc1cccc(C#N)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000487111676 999065635 /nfs/dbraw/zinc/06/56/35/999065635.db2.gz NUXDCTBEFYSKQY-JOCHJYFZSA-N 1 0 412.484 3.980 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1 ZINC000487160374 999084242 /nfs/dbraw/zinc/08/42/42/999084242.db2.gz XWUAENAIVFONGP-LJQANCHMSA-N 1 0 419.525 3.984 20 30 HHEDRO COc1ccc(SCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479221623 999331683 /nfs/dbraw/zinc/33/16/83/999331683.db2.gz SWTLZEGTVJHGCZ-UHFFFAOYSA-N 1 0 409.555 3.852 20 30 HHEDRO COc1ccc(OCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479240427 999340327 /nfs/dbraw/zinc/34/03/27/999340327.db2.gz GPGAIKBITYMWHK-UHFFFAOYSA-N 1 0 407.514 3.529 20 30 HHEDRO N#CC1(NC(=O)Cc2ccc(Br)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000479250133 999346620 /nfs/dbraw/zinc/34/66/20/999346620.db2.gz SYKVDDCPRPMYCH-UHFFFAOYSA-N 1 0 418.360 3.728 20 30 HHEDRO Cc1ccc(-c2nc(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cs2)o1 ZINC000479286841 999366145 /nfs/dbraw/zinc/36/61/45/999366145.db2.gz PASYJHURRCLWMQ-UHFFFAOYSA-N 1 0 420.538 3.929 20 30 HHEDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479290072 999367550 /nfs/dbraw/zinc/36/75/50/999367550.db2.gz SJBRGUSAHHCPIG-KRWDZBQOSA-N 1 0 424.526 3.750 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)C2=O)cc1 ZINC000479435520 999415363 /nfs/dbraw/zinc/41/53/63/999415363.db2.gz HICGEOCJHQWVGY-VWNXMTODSA-N 1 0 411.509 3.907 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4nn(-c5ccccc5)cc43)C2=O)cc1 ZINC000479452505 999424278 /nfs/dbraw/zinc/42/42/78/999424278.db2.gz IXXSTBJNHZITJW-ISKFKSNPSA-N 1 0 411.509 3.512 20 30 HHEDRO CCOc1cc2[nH+]ccc(N3CCN(c4ccc(C#N)cn4)CC3)c2cc1OCC ZINC000488325907 999441054 /nfs/dbraw/zinc/44/10/54/999441054.db2.gz KDXNQUIBDQHVRW-UHFFFAOYSA-N 1 0 403.486 3.625 20 30 HHEDRO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000488389543 999470894 /nfs/dbraw/zinc/47/08/94/999470894.db2.gz ZLDMDZNZHGMLEG-PKTZIBPZSA-N 1 0 412.578 3.759 20 30 HHEDRO CCC(CC)[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000488389539 999470909 /nfs/dbraw/zinc/47/09/09/999470909.db2.gz ZLDMDZNZHGMLEG-DHIUTWEWSA-N 1 0 412.578 3.759 20 30 HHEDRO CCC(CC)[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000488389545 999471035 /nfs/dbraw/zinc/47/10/35/999471035.db2.gz ZLDMDZNZHGMLEG-XZOQPEGZSA-N 1 0 412.578 3.759 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000488393937 999472970 /nfs/dbraw/zinc/47/29/70/999472970.db2.gz HFUIOLVPAYWOHH-UHFFFAOYSA-N 1 0 422.533 3.608 20 30 HHEDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488461288 999493857 /nfs/dbraw/zinc/49/38/57/999493857.db2.gz INZICGRBFNQBBC-HTAPYJJXSA-N 1 0 419.529 3.540 20 30 HHEDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476582 999500130 /nfs/dbraw/zinc/50/01/30/999500130.db2.gz GYHLTYUMGQAJAA-OALUTQOASA-N 1 0 424.526 3.728 20 30 HHEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476807 999500577 /nfs/dbraw/zinc/50/05/77/999500577.db2.gz MEJOOUOJZCLMGD-MGPUTAFESA-N 1 0 417.538 3.837 20 30 HHEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488482786 999503045 /nfs/dbraw/zinc/50/30/45/999503045.db2.gz SDSISISGYNZVSB-HRAATJIYSA-N 1 0 424.932 3.628 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(Br)c1 ZINC000488484337 999503596 /nfs/dbraw/zinc/50/35/96/999503596.db2.gz UOFAOCBJAFIKMY-YJYMSZOUSA-N 1 0 416.294 3.912 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc4C3)C2=O)cc1 ZINC000488503981 999510396 /nfs/dbraw/zinc/51/03/96/999510396.db2.gz VZGRILZPBLGLHU-RTWAWAEBSA-N 1 0 424.342 3.569 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc4C3)C2=O)cc1 ZINC000488503979 999510541 /nfs/dbraw/zinc/51/05/41/999510541.db2.gz VZGRILZPBLGLHU-LEWJYISDSA-N 1 0 424.342 3.569 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c(C)c1C ZINC000488512085 999513387 /nfs/dbraw/zinc/51/33/87/999513387.db2.gz DQGPIYZEBCFTOF-OPAMFIHVSA-N 1 0 422.598 3.997 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000488723053 999588580 /nfs/dbraw/zinc/58/85/80/999588580.db2.gz HFKQUMCNFBNOQN-SFHVURJKSA-N 1 0 420.532 3.748 20 30 HHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488792529 999609697 /nfs/dbraw/zinc/60/96/97/999609697.db2.gz HAIXFWCUQLSADQ-GOSISDBHSA-N 1 0 407.539 3.504 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488920635 999647348 /nfs/dbraw/zinc/64/73/48/999647348.db2.gz RALGUUZQXGWYDX-LPHOPBHVSA-N 1 0 401.507 3.543 20 30 HHEDRO Cn1cc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000479927439 999651547 /nfs/dbraw/zinc/65/15/47/999651547.db2.gz RBQMQJQUTXXYQR-UHFFFAOYSA-N 1 0 401.392 3.585 20 30 HHEDRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)c1 ZINC000479970338 999668716 /nfs/dbraw/zinc/66/87/16/999668716.db2.gz QUPYTYRJUXVNLR-IBGZPJMESA-N 1 0 401.514 3.583 20 30 HHEDRO N#Cc1c(C#N)c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc2c1CCCCCC2 ZINC000480085632 999713315 /nfs/dbraw/zinc/71/33/15/999713315.db2.gz MABIGGOEZOCDJB-LJQANCHMSA-N 1 0 407.562 3.565 20 30 HHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Br)c(C)ccc32)C[C@H]1[NH+](C)C ZINC000480087781 999713715 /nfs/dbraw/zinc/71/37/15/999713715.db2.gz CYSYEWFEADBGLM-CABCVRRESA-N 1 0 405.365 3.659 20 30 HHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccc(C)cc1 ZINC000480424216 999795629 /nfs/dbraw/zinc/79/56/29/999795629.db2.gz CVIJORWYPGPWSA-QFIPXVFZSA-N 1 0 420.582 3.951 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1OCCCC#N ZINC000480462855 999804566 /nfs/dbraw/zinc/80/45/66/999804566.db2.gz DQRWTEIVORZCDD-NRFANRHFSA-N 1 0 407.514 3.577 20 30 HHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000480463110 999804626 /nfs/dbraw/zinc/80/46/26/999804626.db2.gz UMFICLHYRXEJND-UHFFFAOYSA-N 1 0 402.901 3.838 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(C#N)cc3Cl)cc2)C1 ZINC000490375460 999947477 /nfs/dbraw/zinc/94/74/77/999947477.db2.gz QDTPSZABYZKGPQ-MRXNPFEDSA-N 1 0 424.932 3.698 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056080 1000040008 /nfs/dbraw/zinc/04/00/08/1000040008.db2.gz IEYPSDOUQPISBO-PKTZIBPZSA-N 1 0 416.606 3.751 20 30 HHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491115954 1000047265 /nfs/dbraw/zinc/04/72/65/1000047265.db2.gz ZNJSTVODVGANHB-FQEVSTJZSA-N 1 0 413.525 3.601 20 30 HHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493636148 1000182485 /nfs/dbraw/zinc/18/24/85/1000182485.db2.gz QEYPIQAHZWKQBU-MRXNPFEDSA-N 1 0 415.419 3.878 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(C#N)c(C)c1C ZINC000494000599 1000261422 /nfs/dbraw/zinc/26/14/22/1000261422.db2.gz SQAVIXZKTXIJNH-GHTZIAJQSA-N 1 0 408.571 3.750 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(C#N)c(C)c1C ZINC000494000600 1000261967 /nfs/dbraw/zinc/26/19/67/1000261967.db2.gz SQAVIXZKTXIJNH-NQIIRXRSSA-N 1 0 408.571 3.750 20 30 HHEDRO N#Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Oc1ccccc1 ZINC000504768740 1000361583 /nfs/dbraw/zinc/36/15/83/1000361583.db2.gz APHJAKCOOLZHMT-IBGZPJMESA-N 1 0 420.513 3.927 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1OCC ZINC000494406937 1000477500 /nfs/dbraw/zinc/47/75/00/1000477500.db2.gz RGHJJJWTIFGBAQ-OAHLLOKOSA-N 1 0 406.324 3.714 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000494465352 1000506870 /nfs/dbraw/zinc/50/68/70/1000506870.db2.gz BAIYOUKJDMGCCB-FPOVZHCZSA-N 1 0 419.859 3.985 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Br)cs1 ZINC000494483690 1000517209 /nfs/dbraw/zinc/51/72/09/1000517209.db2.gz ODLXLLHVENMDAB-LRDDRELGSA-N 1 0 404.333 3.834 20 30 HHEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000505328404 1000705195 /nfs/dbraw/zinc/70/51/95/1000705195.db2.gz FWHZGOWQBUCETI-KRWDZBQOSA-N 1 0 404.580 3.597 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000505673143 1000968094 /nfs/dbraw/zinc/96/80/94/1000968094.db2.gz LPZGAFDJOWHNOS-SIKLNZKXSA-N 1 0 405.542 3.771 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)c1C#N ZINC000495375507 1000989442 /nfs/dbraw/zinc/98/94/42/1000989442.db2.gz YAJVJHLXTXIQKB-QHCPKHFHSA-N 1 0 422.573 3.884 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000505799405 1001032764 /nfs/dbraw/zinc/03/27/64/1001032764.db2.gz QBONUYMFGZUNRX-YKSBVNFPSA-N 1 0 413.562 3.837 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000505799402 1001032775 /nfs/dbraw/zinc/03/27/75/1001032775.db2.gz QBONUYMFGZUNRX-GBXCKJPGSA-N 1 0 413.562 3.837 20 30 HHEDRO CS[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000495671556 1001060525 /nfs/dbraw/zinc/06/05/25/1001060525.db2.gz ODTOOUSGBPCLDB-FPOVZHCZSA-N 1 0 411.596 3.968 20 30 HHEDRO O=C(C[N@@H+]1CC[C@@H](COc2ccccc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000505855080 1001063406 /nfs/dbraw/zinc/06/34/06/1001063406.db2.gz BATRSQBIXKNIDT-LJQANCHMSA-N 1 0 416.443 3.574 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1OC ZINC000505912463 1001096406 /nfs/dbraw/zinc/09/64/06/1001096406.db2.gz MZAFFAYIBSVQJW-IBGZPJMESA-N 1 0 408.477 3.762 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000506100952 1001220205 /nfs/dbraw/zinc/22/02/05/1001220205.db2.gz LSPWBVRWQLENPU-UHFFFAOYSA-N 1 0 405.546 3.688 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(-c2ccccc2)n1 ZINC000506126031 1001235814 /nfs/dbraw/zinc/23/58/14/1001235814.db2.gz QNCNCTJIVACOCD-HXUWFJFHSA-N 1 0 411.513 3.886 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)[NH+]2CCCC2)o1 ZINC000506176368 1001261729 /nfs/dbraw/zinc/26/17/29/1001261729.db2.gz XQPLXTPLLCPOMW-OAQYLSRUSA-N 1 0 403.486 3.521 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2)CC1 ZINC000506196289 1001271805 /nfs/dbraw/zinc/27/18/05/1001271805.db2.gz XPRMRLQLCCKBLL-DEOSSOPVSA-N 1 0 413.562 3.796 20 30 HHEDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000497413240 1001349610 /nfs/dbraw/zinc/34/96/10/1001349610.db2.gz AHURILVKMOIEQK-RTWAWAEBSA-N 1 0 412.578 3.567 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)C(C)C ZINC000497425161 1001357251 /nfs/dbraw/zinc/35/72/51/1001357251.db2.gz FSYJZYCIHAMOJN-HXUWFJFHSA-N 1 0 417.529 3.566 20 30 HHEDRO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nn1-c1cccc(C#N)c1 ZINC000506504792 1001443327 /nfs/dbraw/zinc/44/33/27/1001443327.db2.gz YCPBORVESGIJSI-GHTZIAJQSA-N 1 0 405.546 3.779 20 30 HHEDRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617655 1001460408 /nfs/dbraw/zinc/46/04/08/1001460408.db2.gz HMVDMBPBUJUDSN-GHTZIAJQSA-N 1 0 407.514 3.630 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 ZINC000506678578 1001491177 /nfs/dbraw/zinc/49/11/77/1001491177.db2.gz PHXXZYXNAIAIPR-UHFFFAOYSA-N 1 0 403.530 3.898 20 30 HHEDRO C[NH+](C)CCOc1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)ccn1 ZINC000497715378 1001493886 /nfs/dbraw/zinc/49/38/86/1001493886.db2.gz WSSUCVNIANGMHW-UHFFFAOYSA-N 1 0 416.481 3.725 20 30 HHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000506745904 1001512063 /nfs/dbraw/zinc/51/20/63/1001512063.db2.gz ZNJMNOVYZWWWMW-GAJHUEQPSA-N 1 0 415.534 3.607 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(=O)NC1CCCC1)C(C)C ZINC000497928721 1001568634 /nfs/dbraw/zinc/56/86/34/1001568634.db2.gz WSXHMLVABOCHAE-FQEVSTJZSA-N 1 0 419.639 3.668 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000498389988 1001819131 /nfs/dbraw/zinc/81/91/31/1001819131.db2.gz KFOQEADAUDJIKN-UHFFFAOYSA-N 1 0 408.502 3.968 20 30 HHEDRO COc1cccc([C@@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)[NH+](C)C)c1 ZINC000507118598 1001819793 /nfs/dbraw/zinc/81/97/93/1001819793.db2.gz YSZATRYBUCXPGL-HXUWFJFHSA-N 1 0 412.440 3.853 20 30 HHEDRO CC(C)[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[NH+]1CCN(C)CC1 ZINC000498456266 1001883972 /nfs/dbraw/zinc/88/39/72/1001883972.db2.gz BUDLWGASHNIQBO-DEOSSOPVSA-N 1 0 420.557 3.547 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000498528150 1001948674 /nfs/dbraw/zinc/94/86/74/1001948674.db2.gz UWTYBOUYCJVBMZ-OAQYLSRUSA-N 1 0 405.546 3.781 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507539994 1002146466 /nfs/dbraw/zinc/14/64/66/1002146466.db2.gz XJOUHXGFGXRQHS-GCJKJVERSA-N 1 0 420.532 3.865 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000507642479 1002243511 /nfs/dbraw/zinc/24/35/11/1002243511.db2.gz CMGFYFCBAGQPPB-JIFJKGJMSA-N 1 0 403.570 3.863 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000507642482 1002244078 /nfs/dbraw/zinc/24/40/78/1002244078.db2.gz CMGFYFCBAGQPPB-ZARIYHHDSA-N 1 0 403.570 3.863 20 30 HHEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000507654248 1002253287 /nfs/dbraw/zinc/25/32/87/1002253287.db2.gz SAFFQLCLQVDLCB-RHKCVOJBSA-N 1 0 411.571 3.992 20 30 HHEDRO CC(C)N(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000507671651 1002266885 /nfs/dbraw/zinc/26/68/85/1002266885.db2.gz WCJWGILTEVVHHX-UHFFFAOYSA-N 1 0 422.598 3.956 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000498900887 1002292202 /nfs/dbraw/zinc/29/22/02/1002292202.db2.gz XYJIBSYVOOZHNO-HSZRJFAPSA-N 1 0 410.606 3.994 20 30 HHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)nc1 ZINC000507728628 1002313550 /nfs/dbraw/zinc/31/35/50/1002313550.db2.gz YXJQJOMFRWIUIS-UHFFFAOYSA-N 1 0 418.400 3.943 20 30 HHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCN1CC(F)F ZINC000498928514 1002325541 /nfs/dbraw/zinc/32/55/41/1002325541.db2.gz XWAIFNSRLLRLFL-CABCVRRESA-N 1 0 424.561 3.734 20 30 HHEDRO C=CCc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000507833272 1002375688 /nfs/dbraw/zinc/37/56/88/1002375688.db2.gz KVNAORVWNZVXPO-NQIIRXRSSA-N 1 0 400.906 3.844 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000507848534 1002387341 /nfs/dbraw/zinc/38/73/41/1002387341.db2.gz VVKSFZKSWJHZOZ-SFHVURJKSA-N 1 0 420.431 3.860 20 30 HHEDRO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499048054 1002428917 /nfs/dbraw/zinc/42/89/17/1002428917.db2.gz LSAXGQVMWDPFGF-SFHVURJKSA-N 1 0 418.545 3.786 20 30 HHEDRO CCC[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+]1CCOC ZINC000499440018 1002826116 /nfs/dbraw/zinc/82/61/16/1002826116.db2.gz LAUWUKYXNSCFBI-QHCPKHFHSA-N 1 0 421.541 3.710 20 30 HHEDRO C=CCc1ccc(OCC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC000499465509 1002854623 /nfs/dbraw/zinc/85/46/23/1002854623.db2.gz SQLGAFREXMZCNR-UHFFFAOYSA-N 1 0 409.530 3.573 20 30 HHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C[C@@H]1C ZINC000499589716 1002964872 /nfs/dbraw/zinc/96/48/72/1002964872.db2.gz CPGHGVNTFKUYGB-KBPBESRZSA-N 1 0 416.576 3.648 20 30 HHEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508493388 1002976631 /nfs/dbraw/zinc/97/66/31/1002976631.db2.gz YEVHMPOFIDNAGR-UHFFFAOYSA-N 1 0 413.566 3.610 20 30 HHEDRO C=CCn1c(-c2ccccc2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508507269 1002988911 /nfs/dbraw/zinc/98/89/11/1002988911.db2.gz HHAZMOXDRJSXIW-WOJBJXKFSA-N 1 0 409.578 3.847 20 30 HHEDRO C=CCn1c(-c2ccccc2)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508507266 1002989067 /nfs/dbraw/zinc/98/90/67/1002989067.db2.gz HHAZMOXDRJSXIW-PMACEKPBSA-N 1 0 409.578 3.847 20 30 HHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000508507788 1002989674 /nfs/dbraw/zinc/98/96/74/1002989674.db2.gz UXWAWQCTTAUDOR-CQSZACIVSA-N 1 0 410.349 3.595 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508735125 1003173377 /nfs/dbraw/zinc/17/33/77/1003173377.db2.gz UOQWKMXGLDYGBM-SFHVURJKSA-N 1 0 411.550 3.677 20 30 HHEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508748936 1003184634 /nfs/dbraw/zinc/18/46/34/1003184634.db2.gz TUZPGFKCPXSGLI-PGRDOPGGSA-N 1 0 423.561 3.505 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000508858299 1003278111 /nfs/dbraw/zinc/27/81/11/1003278111.db2.gz RFHGUCRNCBLLEH-HXUWFJFHSA-N 1 0 418.545 3.736 20 30 HHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508864372 1003284179 /nfs/dbraw/zinc/28/41/79/1003284179.db2.gz OENQJHYDVRIQMV-QGZVFWFLSA-N 1 0 407.518 3.567 20 30 HHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000508875746 1003295969 /nfs/dbraw/zinc/29/59/69/1003295969.db2.gz VTYXJLJUFUMQTF-UHFFFAOYSA-N 1 0 415.607 3.830 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000508885202 1003309496 /nfs/dbraw/zinc/30/94/96/1003309496.db2.gz NJVNZWKNBRAQOA-JOCHJYFZSA-N 1 0 402.546 3.551 20 30 HHEDRO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508886387 1003310880 /nfs/dbraw/zinc/31/08/80/1003310880.db2.gz AFQMUQKTKZRLQP-UHFFFAOYSA-N 1 0 415.969 3.723 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508903645 1003340656 /nfs/dbraw/zinc/34/06/56/1003340656.db2.gz PVSIHQJDDMQWBW-VXKWHMMOSA-N 1 0 407.562 3.774 20 30 HHEDRO C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508912976 1003352678 /nfs/dbraw/zinc/35/26/78/1003352678.db2.gz NRDATNPZVRSDNS-LJQANCHMSA-N 1 0 413.566 3.703 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508920239 1003357806 /nfs/dbraw/zinc/35/78/06/1003357806.db2.gz JCKANCMXSAEWJL-SFHVURJKSA-N 1 0 405.550 3.689 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000508936748 1003383574 /nfs/dbraw/zinc/38/35/74/1003383574.db2.gz YXWJHIWAFWMHQB-UHFFFAOYSA-N 1 0 401.510 3.926 20 30 HHEDRO C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508956394 1003415123 /nfs/dbraw/zinc/41/51/23/1003415123.db2.gz PKTYVWWMURMEPB-HXUWFJFHSA-N 1 0 408.594 3.585 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(-c2cccs2)no1 ZINC000508964846 1003430890 /nfs/dbraw/zinc/43/08/90/1003430890.db2.gz DXPTYGRDTOKSFJ-UHFFFAOYSA-N 1 0 423.542 3.583 20 30 HHEDRO C=CCn1c(N2CCC[C@H]([NH+]3CCCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000509000231 1003472131 /nfs/dbraw/zinc/47/21/31/1003472131.db2.gz STNORUZVCOOLIK-KRWDZBQOSA-N 1 0 403.477 3.657 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COCc3ccccc3Cl)CC2)cc1 ZINC000509067020 1003528881 /nfs/dbraw/zinc/52/88/81/1003528881.db2.gz VLSPMBIPXDZGFO-IBGZPJMESA-N 1 0 400.906 3.633 20 30 HHEDRO CSc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000500251096 1003582231 /nfs/dbraw/zinc/58/22/31/1003582231.db2.gz MZDHGHBJJSORAS-QFBILLFUSA-N 1 0 414.600 3.530 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000500416057 1003703478 /nfs/dbraw/zinc/70/34/78/1003703478.db2.gz MQOKDCJMBMIAMM-INIZCTEOSA-N 1 0 416.472 3.994 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)CSCc2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000500445056 1003722644 /nfs/dbraw/zinc/72/26/44/1003722644.db2.gz AGFKRAJTVUHCKZ-IBGZPJMESA-N 1 0 423.582 3.808 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000509384871 1003813394 /nfs/dbraw/zinc/81/33/94/1003813394.db2.gz IBOSXPNWTFUSIK-UHFFFAOYSA-N 1 0 418.541 3.907 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511847257 1003826498 /nfs/dbraw/zinc/82/64/98/1003826498.db2.gz PXJCSDXOGAHLJY-KXBFYZLASA-N 1 0 417.431 3.735 20 30 HHEDRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2c(n1)onc2C(C)C ZINC000509440264 1003863266 /nfs/dbraw/zinc/86/32/66/1003863266.db2.gz RHQGEQFOJODJSI-UHFFFAOYSA-N 1 0 419.529 3.984 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000509616467 1003983237 /nfs/dbraw/zinc/98/32/37/1003983237.db2.gz ILELMMZKJOUUCK-FQEVSTJZSA-N 1 0 423.941 3.853 20 30 HHEDRO C=C(C)C[N@H+](CCC(=O)Nc1cccc(Br)c1)Cc1ccc(CO)o1 ZINC000512183617 1004086271 /nfs/dbraw/zinc/08/62/71/1004086271.db2.gz VPYPVNHKDFRARS-UHFFFAOYSA-N 1 0 407.308 3.941 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000512199819 1004100250 /nfs/dbraw/zinc/10/02/50/1004100250.db2.gz DUXLMMDCGKRHKK-LJQANCHMSA-N 1 0 406.313 3.953 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000512224374 1004125284 /nfs/dbraw/zinc/12/52/84/1004125284.db2.gz BEYKVMHLTALUJT-ZACQAIPSSA-N 1 0 400.592 3.774 20 30 HHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512228572 1004128320 /nfs/dbraw/zinc/12/83/20/1004128320.db2.gz PNGIOUBJLRZLMB-IRXDYDNUSA-N 1 0 400.592 3.776 20 30 HHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512228571 1004128499 /nfs/dbraw/zinc/12/84/99/1004128499.db2.gz PNGIOUBJLRZLMB-IAGOWNOFSA-N 1 0 400.592 3.776 20 30 HHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512228570 1004128705 /nfs/dbraw/zinc/12/87/05/1004128705.db2.gz PNGIOUBJLRZLMB-DLBZAZTESA-N 1 0 400.592 3.776 20 30 HHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000512230717 1004130397 /nfs/dbraw/zinc/13/03/97/1004130397.db2.gz WPDYVEMKUANOIA-HNNXBMFYSA-N 1 0 400.302 3.897 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236094 1004137166 /nfs/dbraw/zinc/13/71/66/1004137166.db2.gz FJQUJQQDRSZXQB-GJZUVCINSA-N 1 0 416.569 3.920 20 30 HHEDRO C[NH+](C)CCn1ccc(NC(=O)c2ccccc2SCc2ccc(C#N)cc2)n1 ZINC000509840206 1004138829 /nfs/dbraw/zinc/13/88/29/1004138829.db2.gz PKLYSWHUNHDUSR-UHFFFAOYSA-N 1 0 405.527 3.861 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000512314296 1004210189 /nfs/dbraw/zinc/21/01/89/1004210189.db2.gz NEPZCPZCTNMZPM-UHFFFAOYSA-N 1 0 424.520 3.630 20 30 HHEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000509966937 1004236732 /nfs/dbraw/zinc/23/67/32/1004236732.db2.gz HQZAYKDWNDFCAL-UVKLAMSESA-N 1 0 418.541 3.672 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510089689 1004315469 /nfs/dbraw/zinc/31/54/69/1004315469.db2.gz UIYDNGWTPJZHFR-AUSIDOKSSA-N 1 0 421.589 3.763 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512459970 1004318839 /nfs/dbraw/zinc/31/88/39/1004318839.db2.gz MQKGXKULLRXVIQ-ZFWWWQNUSA-N 1 0 415.481 3.508 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000512594887 1004409960 /nfs/dbraw/zinc/40/99/60/1004409960.db2.gz GEYUSOWNWREQFQ-UHFFFAOYSA-N 1 0 403.461 3.938 20 30 HHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000512599166 1004413188 /nfs/dbraw/zinc/41/31/88/1004413188.db2.gz YVJNJQVFTJMMBT-UHFFFAOYSA-N 1 0 402.420 3.709 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 ZINC000512625876 1004438931 /nfs/dbraw/zinc/43/89/31/1004438931.db2.gz QSICBBWWUHUPSS-OFNKIYASSA-N 1 0 419.573 3.535 20 30 HHEDRO C[C@@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512669010 1004478702 /nfs/dbraw/zinc/47/87/02/1004478702.db2.gz YGPVUBBBRKTISY-OAHLLOKOSA-N 1 0 419.497 3.730 20 30 HHEDRO C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512696227 1004500938 /nfs/dbraw/zinc/50/09/38/1004500938.db2.gz ZPATYSQRIDXHEH-QUCCMNQESA-N 1 0 410.562 3.764 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000510401080 1004538758 /nfs/dbraw/zinc/53/87/58/1004538758.db2.gz GKXOEUVIJACRMJ-OAQYLSRUSA-N 1 0 417.513 3.629 20 30 HHEDRO C=CC[C@@H]1N(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCC1(C)C ZINC000512755719 1004539397 /nfs/dbraw/zinc/53/93/97/1004539397.db2.gz LCVBYKJQTHGPLJ-YZGWKJHDSA-N 1 0 417.619 3.841 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510405346 1004542279 /nfs/dbraw/zinc/54/22/79/1004542279.db2.gz BZJHUANQXLCYGN-UTKZUKDTSA-N 1 0 405.477 3.758 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000510411751 1004547279 /nfs/dbraw/zinc/54/72/79/1004547279.db2.gz GTJRILGJOVNXOC-UHFFFAOYSA-N 1 0 421.545 3.682 20 30 HHEDRO Cc1noc(C2(C)CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)n1 ZINC000510423111 1004556783 /nfs/dbraw/zinc/55/67/83/1004556783.db2.gz CISOETVVGZNVJK-UHFFFAOYSA-N 1 0 424.549 3.775 20 30 HHEDRO CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccco1 ZINC000510432904 1004562893 /nfs/dbraw/zinc/56/28/93/1004562893.db2.gz ZPWMIMPNZLOVKK-WFASDCNBSA-N 1 0 415.437 3.578 20 30 HHEDRO N#Cc1ccc(OC2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000512805786 1004570267 /nfs/dbraw/zinc/57/02/67/1004570267.db2.gz MCUDNBDLWZGUAA-QHCPKHFHSA-N 1 0 423.532 3.832 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812510 1004574772 /nfs/dbraw/zinc/57/47/72/1004574772.db2.gz VKUCLSPPCVHZCF-FQEVSTJZSA-N 1 0 410.489 3.709 20 30 HHEDRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512843382 1004605123 /nfs/dbraw/zinc/60/51/23/1004605123.db2.gz GZDCRBNNUNVFKL-UHFFFAOYSA-N 1 0 411.477 3.968 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510527335 1004657970 /nfs/dbraw/zinc/65/79/70/1004657970.db2.gz WZWJKQDRRUZROO-HOYKHHGWSA-N 1 0 409.530 3.842 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)C2)n1 ZINC000510542744 1004675480 /nfs/dbraw/zinc/67/54/80/1004675480.db2.gz BULGQQNGUGUOHQ-RRPUWOKSSA-N 1 0 419.573 3.594 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000510548326 1004683636 /nfs/dbraw/zinc/68/36/36/1004683636.db2.gz ANZYGZKJIIPIFM-NRFANRHFSA-N 1 0 408.502 3.829 20 30 HHEDRO Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000510550936 1004687546 /nfs/dbraw/zinc/68/75/46/1004687546.db2.gz TZBJXBKBFKTPRP-JPYJTQIMSA-N 1 0 401.514 3.782 20 30 HHEDRO CC1CCC([NH+]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)CC1 ZINC000512960640 1004729755 /nfs/dbraw/zinc/72/97/55/1004729755.db2.gz CVZHMODMAYQMHL-UHFFFAOYSA-N 1 0 412.553 3.637 20 30 HHEDRO C[C@H](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[NH+]1CCCCC1 ZINC000501871837 1004788670 /nfs/dbraw/zinc/78/86/70/1004788670.db2.gz MUMSVZDLRYNGFY-QGZVFWFLSA-N 1 0 402.514 3.515 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513097256 1004803980 /nfs/dbraw/zinc/80/39/80/1004803980.db2.gz SAESAKYQQYUDDJ-HZPDHXFCSA-N 1 0 410.497 3.658 20 30 HHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000513106854 1004810410 /nfs/dbraw/zinc/81/04/10/1004810410.db2.gz AYRPIMVNWJSCFM-UHFFFAOYSA-N 1 0 420.492 3.787 20 30 HHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513113001 1004813447 /nfs/dbraw/zinc/81/34/47/1004813447.db2.gz IKPNFJOMMGTMAR-UHFFFAOYSA-N 1 0 412.494 3.540 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000501992644 1004850538 /nfs/dbraw/zinc/85/05/38/1004850538.db2.gz YQKZNXWBPFYIDA-MRXNPFEDSA-N 1 0 419.447 3.935 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000501999249 1004853902 /nfs/dbraw/zinc/85/39/02/1004853902.db2.gz HXZYOPZXTJOCGW-UHFFFAOYSA-N 1 0 420.542 3.596 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000513202450 1004858826 /nfs/dbraw/zinc/85/88/26/1004858826.db2.gz WGGCIGLMQDNOSZ-KRWDZBQOSA-N 1 0 410.480 3.932 20 30 HHEDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000513216987 1004866024 /nfs/dbraw/zinc/86/60/24/1004866024.db2.gz CWIFRWHIQYJIER-MRXNPFEDSA-N 1 0 416.591 3.598 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000502187025 1004946637 /nfs/dbraw/zinc/94/66/37/1004946637.db2.gz QFALQNLZWWMKBX-UHFFFAOYSA-N 1 0 410.905 3.891 20 30 HHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502291742 1004996645 /nfs/dbraw/zinc/99/66/45/1004996645.db2.gz KACVTBOBBUTWMN-UHFFFAOYSA-N 1 0 418.541 3.888 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1ccccc1[N+](=O)[O-] ZINC000511061034 1005002586 /nfs/dbraw/zinc/00/25/86/1005002586.db2.gz WVIAUJRFRYQOLX-UHFFFAOYSA-N 1 0 412.515 3.910 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(-c2ccncc2)n1 ZINC000502307026 1005003056 /nfs/dbraw/zinc/00/30/56/1005003056.db2.gz DLWIGZPXWCNCOQ-FQEVSTJZSA-N 1 0 415.545 3.771 20 30 HHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000502334141 1005017923 /nfs/dbraw/zinc/01/79/23/1005017923.db2.gz SDKBPONLXFGDID-IBGZPJMESA-N 1 0 407.518 3.668 20 30 HHEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(-c2ccc(C#N)cc2)n1 ZINC000502341969 1005021937 /nfs/dbraw/zinc/02/19/37/1005021937.db2.gz PYDLVTWQZLKDDW-FQEVSTJZSA-N 1 0 400.530 3.871 20 30 HHEDRO N#Cc1ccccc1OCc1cccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000513699009 1005087557 /nfs/dbraw/zinc/08/75/57/1005087557.db2.gz ICYZEYUQJYJOEN-UHFFFAOYSA-N 1 0 419.525 3.512 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@]3(Cc4ccc(Cl)cc4)CCOC3)C2=O)cc1 ZINC000502602562 1005135543 /nfs/dbraw/zinc/13/55/43/1005135543.db2.gz SRSNRMBERVGKHU-FYYLOGMGSA-N 1 0 409.917 3.698 20 30 HHEDRO Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000502658791 1005166229 /nfs/dbraw/zinc/16/62/29/1005166229.db2.gz PCJYROBJJVHZJP-UHFFFAOYSA-N 1 0 404.518 3.651 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCOc1ccc(C#N)cc1 ZINC000511464514 1005187108 /nfs/dbraw/zinc/18/71/08/1005187108.db2.gz TWFQQWCJWHFRSA-QFIPXVFZSA-N 1 0 406.530 3.537 20 30 HHEDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000511475455 1005192778 /nfs/dbraw/zinc/19/27/78/1005192778.db2.gz DWLANWJCLDEOES-SIKLNZKXSA-N 1 0 421.541 3.500 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000511515516 1005207308 /nfs/dbraw/zinc/20/73/08/1005207308.db2.gz WHHCVUDUXGRWTM-RTWAWAEBSA-N 1 0 403.486 3.559 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000511515513 1005207424 /nfs/dbraw/zinc/20/74/24/1005207424.db2.gz WHHCVUDUXGRWTM-LEWJYISDSA-N 1 0 403.486 3.559 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 ZINC000511543702 1005217715 /nfs/dbraw/zinc/21/77/15/1005217715.db2.gz VFMSJYUOAXARCJ-XLIONFOSSA-N 1 0 406.404 3.937 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000502877368 1005254729 /nfs/dbraw/zinc/25/47/29/1005254729.db2.gz NJTORBAUPBPSBH-KDURUIRLSA-N 1 0 402.608 3.849 20 30 HHEDRO C=CCNC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000511670598 1005270058 /nfs/dbraw/zinc/27/00/58/1005270058.db2.gz HUEQVJLHKCAIDR-SFHVURJKSA-N 1 0 404.436 3.703 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000511685884 1005276186 /nfs/dbraw/zinc/27/61/86/1005276186.db2.gz IXOJMHRXSZAEIA-AEFFLSMTSA-N 1 0 424.932 3.567 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000511740310 1005301310 /nfs/dbraw/zinc/30/13/10/1005301310.db2.gz JGDJDKIVSGHSQW-STZQEDGTSA-N 1 0 420.532 3.550 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(OC)c1 ZINC000511757995 1005309944 /nfs/dbraw/zinc/30/99/44/1005309944.db2.gz QGBLNWXBHAAVIJ-YCAMKHIRSA-N 1 0 423.553 3.668 20 30 HHEDRO COc1cc(Br)ccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514243388 1005330059 /nfs/dbraw/zinc/33/00/59/1005330059.db2.gz RYTYUPCGJKVQIJ-SFHVURJKSA-N 1 0 414.303 3.615 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)nn1-c1cccc(C#N)c1 ZINC000503058580 1005331084 /nfs/dbraw/zinc/33/10/84/1005331084.db2.gz KQDGATJKIOEXBU-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000503260172 1005379248 /nfs/dbraw/zinc/37/92/48/1005379248.db2.gz BJQQINYGWBMYEA-MRXNPFEDSA-N 1 0 412.921 3.692 20 30 HHEDRO CCCCCc1nnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)s1 ZINC000503402576 1005409287 /nfs/dbraw/zinc/40/92/87/1005409287.db2.gz AWOYBJWZPYTSRX-UHFFFAOYSA-N 1 0 400.552 3.738 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000503476954 1005432258 /nfs/dbraw/zinc/43/22/58/1005432258.db2.gz BBUNULIZCNJSNJ-HNNXBMFYSA-N 1 0 413.472 3.861 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000503700745 1005483002 /nfs/dbraw/zinc/48/30/02/1005483002.db2.gz GAXPZEAUIHGMSP-GOSISDBHSA-N 1 0 423.536 3.658 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000504023593 1005534791 /nfs/dbraw/zinc/53/47/91/1005534791.db2.gz VMVYPPSVTZGJGM-UHFFFAOYSA-N 1 0 405.542 3.772 20 30 HHEDRO CCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000514426192 1005984900 /nfs/dbraw/zinc/98/49/00/1005984900.db2.gz MUEAIYYOTAJEJX-ADLFWFRXSA-N 1 0 422.495 3.560 20 30 HHEDRO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534097304 1006069938 /nfs/dbraw/zinc/06/99/38/1006069938.db2.gz VGFCBXXICNOROC-SNVBAGLBSA-N 1 0 420.304 3.846 20 30 HHEDRO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000534100785 1006073784 /nfs/dbraw/zinc/07/37/84/1006073784.db2.gz PUAOONBNMZJTEQ-JOCHJYFZSA-N 1 0 416.529 3.725 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(C#N)c(C)c1C ZINC000514807987 1006139101 /nfs/dbraw/zinc/13/91/01/1006139101.db2.gz YDUSLMBGDYBXKJ-FQEVSTJZSA-N 1 0 402.608 3.843 20 30 HHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000514817710 1006149541 /nfs/dbraw/zinc/14/95/41/1006149541.db2.gz AVMPYNVHSUSQGT-HSZRJFAPSA-N 1 0 415.541 3.853 20 30 HHEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3SC[C@@H](C)C#N)C2)CC1 ZINC000531587014 1006288768 /nfs/dbraw/zinc/28/87/68/1006288768.db2.gz CCIVMGNXTAAVNA-OALUTQOASA-N 1 0 415.607 3.571 20 30 HHEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)C2)CC1 ZINC000531587017 1006289720 /nfs/dbraw/zinc/28/97/20/1006289720.db2.gz CCIVMGNXTAAVNA-RTBURBONSA-N 1 0 415.607 3.571 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000515276875 1006374233 /nfs/dbraw/zinc/37/42/33/1006374233.db2.gz SDPAJKANQWEYRF-INIZCTEOSA-N 1 0 424.932 3.698 20 30 HHEDRO CSCc1cc(F)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000532037196 1006592480 /nfs/dbraw/zinc/59/24/80/1006592480.db2.gz WCFIHYLNNLTNKW-UHFFFAOYSA-N 1 0 414.550 3.834 20 30 HHEDRO CCC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538388853 1006658375 /nfs/dbraw/zinc/65/83/75/1006658375.db2.gz HYIMZUQWPVDNHW-DHIUTWEWSA-N 1 0 408.521 3.666 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc2ccccc21 ZINC000538390009 1006659103 /nfs/dbraw/zinc/65/91/03/1006659103.db2.gz MNMPYSDBDMDHHV-AVRDEDQJSA-N 1 0 418.566 3.961 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCNc3ncc(Cl)cc3Cl)CC2)cc1 ZINC000538394604 1006664266 /nfs/dbraw/zinc/66/42/66/1006664266.db2.gz HIFBZFDBYCELET-UHFFFAOYSA-N 1 0 404.345 3.926 20 30 HHEDRO COc1ccc(C[C@H](C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000534699338 1006685287 /nfs/dbraw/zinc/68/52/87/1006685287.db2.gz CKHCBAKFTMQUQF-FQEVSTJZSA-N 1 0 420.557 3.663 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000515831534 1006707260 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C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000533343721 1007651013 /nfs/dbraw/zinc/65/10/13/1007651013.db2.gz BJZOOOQQMMEWRE-OAQYLSRUSA-N 1 0 424.541 3.514 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000539360896 1007663537 /nfs/dbraw/zinc/66/35/37/1007663537.db2.gz BFKGZWSRXXDWKI-LDQXTDLNSA-N 1 0 410.514 3.615 20 30 HHEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539363562 1007666426 /nfs/dbraw/zinc/66/64/26/1007666426.db2.gz OEMDVCDHHCHPGW-NHCUHLMSSA-N 1 0 408.571 3.603 20 30 HHEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000539365513 1007669516 /nfs/dbraw/zinc/66/95/16/1007669516.db2.gz YCANMLLILGZGBS-FCHUYYIVSA-N 1 0 424.520 3.745 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000517468076 1007693636 /nfs/dbraw/zinc/69/36/36/1007693636.db2.gz HWHATFWUIOIIKX-DLBZAZTESA-N 1 0 416.591 3.504 20 30 HHEDRO 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LENFWUBQSYSVHJ-OAQYLSRUSA-N 1 0 408.937 3.905 20 30 HHEDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000540183293 1008326118 /nfs/dbraw/zinc/32/61/18/1008326118.db2.gz GWHXNWJDSNRGDQ-AWEZNQCLSA-N 1 0 407.392 3.843 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CCc2ncc(-c3ccccc3Br)o2)CC1 ZINC000518501835 1008329651 /nfs/dbraw/zinc/32/96/51/1008329651.db2.gz UZITVVHAMATZCC-UHFFFAOYSA-N 1 0 418.335 3.803 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000518505066 1008330585 /nfs/dbraw/zinc/33/05/85/1008330585.db2.gz DPVADLCIDJJPKX-VWLOTQADSA-N 1 0 403.526 3.840 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000518512975 1008333243 /nfs/dbraw/zinc/33/32/43/1008333243.db2.gz JAJVMTIUEUDVDE-FQEVSTJZSA-N 1 0 422.976 3.956 20 30 HHEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000518610714 1008364706 /nfs/dbraw/zinc/36/47/06/1008364706.db2.gz WDKWBPYSYNNEFN-UHFFFAOYSA-N 1 0 421.541 3.756 20 30 HHEDRO O=C1CCCN1C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000540320474 1008378565 /nfs/dbraw/zinc/37/85/65/1008378565.db2.gz BLYXURQDNZYIHI-FQEVSTJZSA-N 1 0 402.416 3.890 20 30 HHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)NCc3ccc(C#N)cc3)cc2)C[C@H]1C ZINC000540343585 1008390142 /nfs/dbraw/zinc/39/01/42/1008390142.db2.gz XVYJTZNVQXWGFK-BGYRXZFFSA-N 1 0 420.557 3.567 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000540353598 1008395320 /nfs/dbraw/zinc/39/53/20/1008395320.db2.gz BJOHWVWYDOOGMX-QGZVFWFLSA-N 1 0 407.514 3.855 20 30 HHEDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000518750095 1008413384 /nfs/dbraw/zinc/41/33/84/1008413384.db2.gz FPQBEXMGPDTTFL-QGZVFWFLSA-N 1 0 416.591 3.600 20 30 HHEDRO COc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)ccc1OCc1ccccc1Cl ZINC000518818131 1008431159 /nfs/dbraw/zinc/43/11/59/1008431159.db2.gz ZIRLNHIMOXJRFU-UHFFFAOYSA-N 1 0 413.905 3.645 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000540432451 1008431311 /nfs/dbraw/zinc/43/13/11/1008431311.db2.gz ODQZRRUOZZATKA-MRXNPFEDSA-N 1 0 408.893 3.518 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518837461 1008439972 /nfs/dbraw/zinc/43/99/72/1008439972.db2.gz VKRVZIYWXSEIIP-ICSRJNTNSA-N 1 0 415.557 3.620 20 30 HHEDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000519051484 1008511622 /nfs/dbraw/zinc/51/16/22/1008511622.db2.gz GWHKJORMSROLSX-ROUUACIJSA-N 1 0 408.502 3.971 20 30 HHEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000542961859 1008533536 /nfs/dbraw/zinc/53/35/36/1008533536.db2.gz MHMRSTQOOSDOTG-UHFFFAOYSA-N 1 0 400.914 3.782 20 30 HHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 ZINC000542962375 1008534879 /nfs/dbraw/zinc/53/48/79/1008534879.db2.gz PMLCNSFFDGVFRP-UHFFFAOYSA-N 1 0 420.492 3.787 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549036336 1008604230 /nfs/dbraw/zinc/60/42/30/1008604230.db2.gz RBIQVPRFXDJDNL-ACRUOGEOSA-N 1 0 414.912 3.691 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000519292957 1008705137 /nfs/dbraw/zinc/70/51/37/1008705137.db2.gz QJRWQTCUEIVNBR-DEOSSOPVSA-N 1 0 423.557 3.937 20 30 HHEDRO Cc1cc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)nn1-c1cccc(C#N)c1 ZINC000545691888 1008785689 /nfs/dbraw/zinc/78/56/89/1008785689.db2.gz ROEBZXBYELSSBG-UHFFFAOYSA-N 1 0 414.469 3.710 20 30 HHEDRO N#Cc1ccc2nc(NC[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)ccc2c1 ZINC000549232376 1008802718 /nfs/dbraw/zinc/80/27/18/1008802718.db2.gz CRDCJEJTZABNGO-QHCPKHFHSA-N 1 0 412.537 4.447 20 30 HHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000549235879 1008805973 /nfs/dbraw/zinc/80/59/73/1008805973.db2.gz PYMZAEMLLCHOIR-DNVJHFABSA-N 1 0 417.509 3.825 20 30 HHEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)CCC(=O)N2 ZINC000519844647 1009027693 /nfs/dbraw/zinc/02/76/93/1009027693.db2.gz GLLYVOVZHMCEAZ-INIZCTEOSA-N 1 0 400.486 3.594 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549665496 1009294390 /nfs/dbraw/zinc/29/43/90/1009294390.db2.gz NOUGUICVEFANRI-BGYRXZFFSA-N 1 0 424.593 3.550 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549667612 1009297348 /nfs/dbraw/zinc/29/73/48/1009297348.db2.gz WZMCACHMMHQEIY-SFHVURJKSA-N 1 0 413.566 3.707 20 30 HHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549680178 1009311442 /nfs/dbraw/zinc/31/14/42/1009311442.db2.gz BIZMZEKMSYROQU-NRFANRHFSA-N 1 0 404.562 3.818 20 30 HHEDRO CCOc1ccc(CCC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000520173156 1009318191 /nfs/dbraw/zinc/31/81/91/1009318191.db2.gz QBDXBSACQLIOIX-UHFFFAOYSA-N 1 0 405.542 3.918 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc(C)c1OC(F)F ZINC000520233913 1009356435 /nfs/dbraw/zinc/35/64/35/1009356435.db2.gz QNEBTQOJLOIKGF-UHFFFAOYSA-N 1 0 401.457 3.981 20 30 HHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549734559 1009358159 /nfs/dbraw/zinc/35/81/59/1009358159.db2.gz GKAPCHHNYICSGX-UHFFFAOYSA-N 1 0 404.562 3.922 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000549770578 1009384306 /nfs/dbraw/zinc/38/43/06/1009384306.db2.gz OMAJSNYNYSNINO-MBSDFSHPSA-N 1 0 406.505 3.572 20 30 HHEDRO C=CC[N@H+](Cc1c(C)nn(-c2ccccn2)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000549802232 1009409555 /nfs/dbraw/zinc/40/95/55/1009409555.db2.gz WSUNLDCJHFEPHT-GOSISDBHSA-N 1 0 414.517 3.609 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCCC[C@@H]1C ZINC000543886928 1009462929 /nfs/dbraw/zinc/46/29/29/1009462929.db2.gz WICZXADROYXGJL-GJZGRUSLSA-N 1 0 400.914 3.782 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)c(F)c1 ZINC000543887781 1009465064 /nfs/dbraw/zinc/46/50/64/1009465064.db2.gz HVHCJQZHUXCMQH-IBGZPJMESA-N 1 0 418.476 3.669 20 30 HHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543890226 1009468372 /nfs/dbraw/zinc/46/83/72/1009468372.db2.gz NLRLPZSEOPTJND-MRXNPFEDSA-N 1 0 400.914 3.783 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3cc(C)cc(Br)c3o2)c1C#N ZINC000543955471 1009558338 /nfs/dbraw/zinc/55/83/38/1009558338.db2.gz WNDDLIYQBUZUPN-UHFFFAOYSA-N 1 0 416.279 3.503 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)c1C#N ZINC000550101829 1009702143 /nfs/dbraw/zinc/70/21/43/1009702143.db2.gz MSIXZJPZPQXFON-OAQYLSRUSA-N 1 0 400.567 3.807 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000520697516 1009764544 /nfs/dbraw/zinc/76/45/44/1009764544.db2.gz JFWCTJQWZVIJLH-OALUTQOASA-N 1 0 412.578 3.967 20 30 HHEDRO C[C@@H](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+]1CCCCC1 ZINC000544258819 1009871355 /nfs/dbraw/zinc/87/13/55/1009871355.db2.gz IUGIIHOLVZFZES-HNNXBMFYSA-N 1 0 400.914 3.783 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000544309997 1009932994 /nfs/dbraw/zinc/93/29/94/1009932994.db2.gz RNAFRJWPLAWRDK-RXVVDRJESA-N 1 0 422.529 3.616 20 30 HHEDRO C[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@H+](C)Cc1ccccc1 ZINC000521095957 1010114783 /nfs/dbraw/zinc/11/47/83/1010114783.db2.gz ZLVZQRPNUYFRJA-GOSISDBHSA-N 1 0 403.482 3.981 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(Cc3ccccc3)CCCC2)CC1 ZINC000544531597 1010160546 /nfs/dbraw/zinc/16/05/46/1010160546.db2.gz WPBXJHDMMGLCRL-NRFANRHFSA-N 1 0 422.598 3.602 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000550876475 1010234565 /nfs/dbraw/zinc/23/45/65/1010234565.db2.gz HYBMVWSWVJKJLE-UHFFFAOYSA-N 1 0 407.558 3.748 20 30 HHEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000521265883 1010266872 /nfs/dbraw/zinc/26/68/72/1010266872.db2.gz UBEOUKZUPKWWJL-ZWKOTPCHSA-N 1 0 404.514 3.606 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCSCc1ccccc1C#N ZINC000521384686 1010348007 /nfs/dbraw/zinc/34/80/07/1010348007.db2.gz KPLSWPMGNITMTE-UHFFFAOYSA-N 1 0 414.550 3.704 20 30 HHEDRO C=CCOc1ccc(-c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)cc1OC ZINC000544921410 1010494698 /nfs/dbraw/zinc/49/46/98/1010494698.db2.gz QBMLHXWMTIJICI-UHFFFAOYSA-N 1 0 406.486 3.729 20 30 HHEDRO Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000551302829 1010504721 /nfs/dbraw/zinc/50/47/21/1010504721.db2.gz WVIVKUCRHIAWKB-FQEVSTJZSA-N 1 0 403.461 3.902 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc(C#N)c(Cl)c2)cc1OC ZINC000548304604 1010588555 /nfs/dbraw/zinc/58/85/55/1010588555.db2.gz PBFZUCYYMFYZNF-UHFFFAOYSA-N 1 0 415.921 3.871 20 30 HHEDRO FC1(c2cccnc2)CCN(CC#CC[NH+]2CCC(F)(c3cccnc3)CC2)CC1 ZINC000551465313 1010601671 /nfs/dbraw/zinc/60/16/71/1010601671.db2.gz ZQJRSOCHGHWDNA-UHFFFAOYSA-N 1 0 410.512 3.701 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000521807232 1010632986 /nfs/dbraw/zinc/63/29/86/1010632986.db2.gz HOELVQAUZSCGST-YVHKJVDXSA-N 1 0 416.591 3.646 20 30 HHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@H](CCCC#N)c3ccccc3)cccc21 ZINC000551598607 1010686974 /nfs/dbraw/zinc/68/69/74/1010686974.db2.gz IJZJNPAVIMVRFL-TZIWHRDSSA-N 1 0 420.513 3.562 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C(F)(F)F ZINC000521890741 1010689418 /nfs/dbraw/zinc/68/94/18/1010689418.db2.gz KLQHOGOCKNBCPN-UHFFFAOYSA-N 1 0 404.436 3.850 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000521901466 1010695641 /nfs/dbraw/zinc/69/56/41/1010695641.db2.gz JWXKDTWYTHKGPC-CQSZACIVSA-N 1 0 412.397 3.879 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Oc2ccccc2)cn1 ZINC000548829105 1010739673 /nfs/dbraw/zinc/73/96/73/1010739673.db2.gz XDJZIXOEKKBHSK-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc2)cc1 ZINC000521962518 1010739923 /nfs/dbraw/zinc/73/99/23/1010739923.db2.gz HMSNYECJQHBXMK-UHFFFAOYSA-N 1 0 419.525 3.729 20 30 HHEDRO C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000548854045 1010745118 /nfs/dbraw/zinc/74/51/18/1010745118.db2.gz RJXKVIANLASRDN-LJQANCHMSA-N 1 0 423.561 3.808 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000548901040 1010755217 /nfs/dbraw/zinc/75/52/17/1010755217.db2.gz NNAURYADXCBQRF-UHFFFAOYSA-N 1 0 423.586 3.622 20 30 HHEDRO C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000548916015 1010758858 /nfs/dbraw/zinc/75/88/58/1010758858.db2.gz BXJUNSJLWBYEEO-UHFFFAOYSA-N 1 0 403.530 3.585 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548930470 1010766092 /nfs/dbraw/zinc/76/60/92/1010766092.db2.gz BXJSXKTYGGOAIT-ZEQRLZLVSA-N 1 0 416.569 3.944 20 30 HHEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000522218689 1010872357 /nfs/dbraw/zinc/87/23/57/1010872357.db2.gz GARFSBDFLKLGDH-UHFFFAOYSA-N 1 0 422.533 3.780 20 30 HHEDRO C[C@H](Nc1cccc(OCCCC#N)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000522278274 1010901260 /nfs/dbraw/zinc/90/12/60/1010901260.db2.gz SBYNMWWOFMLUKG-FQEVSTJZSA-N 1 0 420.557 3.950 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000522482166 1011038881 /nfs/dbraw/zinc/03/88/81/1011038881.db2.gz WGQCYRYLLCFCEN-UHFFFAOYSA-N 1 0 400.454 3.693 20 30 HHEDRO C=CC[C@@H](C)NC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000522573387 1011086630 /nfs/dbraw/zinc/08/66/30/1011086630.db2.gz QROMJICVIGLYGQ-QGZVFWFLSA-N 1 0 412.500 3.871 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000522658219 1011142342 /nfs/dbraw/zinc/14/23/42/1011142342.db2.gz SPYIJSXWQKFBDC-UHFFFAOYSA-N 1 0 421.969 3.814 20 30 HHEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000540594685 1011251009 /nfs/dbraw/zinc/25/10/09/1011251009.db2.gz XEVZDXNUHSMUEJ-XMMPIXPASA-N 1 0 405.542 3.789 20 30 HHEDRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)c(F)c1 ZINC000540707721 1011359180 /nfs/dbraw/zinc/35/91/80/1011359180.db2.gz DADIHZSUKDWRPW-OAHLLOKOSA-N 1 0 421.563 3.827 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000540712166 1011362808 /nfs/dbraw/zinc/36/28/08/1011362808.db2.gz JEFINWHDFINLRF-XMMPIXPASA-N 1 0 424.545 3.540 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(C#N)cc3)c(C(F)(F)F)c2)CC1 ZINC000522921495 1011366227 /nfs/dbraw/zinc/36/62/27/1011366227.db2.gz CWEXKMLAXYKLQD-UHFFFAOYSA-N 1 0 402.420 3.510 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H]1c1ccccc1 ZINC000536266110 1011435386 /nfs/dbraw/zinc/43/53/86/1011435386.db2.gz XIJDNOHIBRRAPB-GMAHTHKFSA-N 1 0 401.466 3.905 20 30 HHEDRO Cc1cc(NC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)nn1CCC#N ZINC000540818086 1011479594 /nfs/dbraw/zinc/47/95/94/1011479594.db2.gz FAHRGIQTUTXQEX-FQEVSTJZSA-N 1 0 408.550 3.700 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)c1C#N ZINC000536302597 1011492100 /nfs/dbraw/zinc/49/21/00/1011492100.db2.gz FRLAHPFDDQWURM-UHFFFAOYSA-N 1 0 419.485 3.552 20 30 HHEDRO CCN(Cc1ccccc1)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1 ZINC000536305488 1011497760 /nfs/dbraw/zinc/49/77/60/1011497760.db2.gz RZEUYLVAXAEUIG-UHFFFAOYSA-N 1 0 416.529 3.712 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540863000 1011534437 /nfs/dbraw/zinc/53/44/37/1011534437.db2.gz BMHOXLLHXSRIAC-IBGZPJMESA-N 1 0 409.534 3.991 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C2CCC(CO)CC2)c1C#N ZINC000536347038 1011551154 /nfs/dbraw/zinc/55/11/54/1011551154.db2.gz AVLGJFBSBSRUTJ-UHFFFAOYSA-N 1 0 412.509 3.526 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)sc2c1CCCC2 ZINC000536347365 1011551535 /nfs/dbraw/zinc/55/15/35/1011551535.db2.gz CDVHXZRMRKFCNB-JKSUJKDBSA-N 1 0 419.616 3.814 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2)cc1 ZINC000523157975 1011637871 /nfs/dbraw/zinc/63/78/71/1011637871.db2.gz AVGPEPNYWGSPMF-IBGZPJMESA-N 1 0 404.514 3.533 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536475404 1011691466 /nfs/dbraw/zinc/69/14/66/1011691466.db2.gz HRFCOLCMEPNYPS-HXUWFJFHSA-N 1 0 403.526 3.840 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541089470 1011733354 /nfs/dbraw/zinc/73/33/54/1011733354.db2.gz XWQJCNIUTKEWEI-INIZCTEOSA-N 1 0 418.522 3.963 20 30 HHEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000541097607 1011743593 /nfs/dbraw/zinc/74/35/93/1011743593.db2.gz AHEPEKZHUKLHRM-UHFFFAOYSA-N 1 0 400.914 3.735 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[N@@H+]1Cc1ccccc1 ZINC000541098502 1011744193 /nfs/dbraw/zinc/74/41/93/1011744193.db2.gz KSCDEURZRQKHSK-LPHOPBHVSA-N 1 0 418.476 3.668 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccccc1 ZINC000541097872 1011744255 /nfs/dbraw/zinc/74/42/55/1011744255.db2.gz RBMHRTQWGYDIQQ-LJQANCHMSA-N 1 0 408.893 3.822 20 30 HHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000541098602 1011745526 /nfs/dbraw/zinc/74/55/26/1011745526.db2.gz ZWXKBEKUKUXYPK-UHFFFAOYSA-N 1 0 400.914 3.735 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H](C)C1 ZINC000541105300 1011752317 /nfs/dbraw/zinc/75/23/17/1011752317.db2.gz JLPITFFTQQNHJP-RHSMWYFYSA-N 1 0 400.914 3.591 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105954 1011753074 /nfs/dbraw/zinc/75/30/74/1011753074.db2.gz AVTOPJPJXXWGPZ-MBSDFSHPSA-N 1 0 406.530 3.696 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105958 1011753442 /nfs/dbraw/zinc/75/34/42/1011753442.db2.gz AVTOPJPJXXWGPZ-WZONZLPQSA-N 1 0 406.530 3.696 20 30 HHEDRO C=CC1CC[NH+](Cc2ccc(OCCn3c(C)ncc3[N+](=O)[O-])c(OCC)c2)CC1 ZINC000536672737 1011829130 /nfs/dbraw/zinc/82/91/30/1011829130.db2.gz KFLCNYGVDLAZFP-UHFFFAOYSA-N 1 0 414.506 3.975 20 30 HHEDRO C=CC[N@@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675225 1011834883 /nfs/dbraw/zinc/83/48/83/1011834883.db2.gz GEQJYHZSWKGLLD-IAGOWNOFSA-N 1 0 405.502 3.744 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000541201753 1011871542 /nfs/dbraw/zinc/87/15/42/1011871542.db2.gz KQIIANUFWPOFMB-IBGZPJMESA-N 1 0 411.525 3.850 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(F)(c3cccnc3)CC2)c(OC)c1 ZINC000551748303 1011907361 /nfs/dbraw/zinc/90/73/61/1011907361.db2.gz OTJOTNNTDFGPKU-FQEVSTJZSA-N 1 0 400.494 3.519 20 30 HHEDRO CCc1nc2ccccc2n1C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000536745658 1011931183 /nfs/dbraw/zinc/93/11/83/1011931183.db2.gz FBPRNQPUTBKPPH-QHCPKHFHSA-N 1 0 413.525 3.913 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cnc(C)[nH]c2=O)cc1OCC ZINC000541377548 1012094112 /nfs/dbraw/zinc/09/41/12/1012094112.db2.gz CDRBSFVFKQGQPU-UHFFFAOYSA-N 1 0 408.296 3.506 20 30 HHEDRO N#Cc1ccc(OCC[NH2+]C2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000536891364 1012144328 /nfs/dbraw/zinc/14/43/28/1012144328.db2.gz XKSMJKWJDCRKPO-UHFFFAOYSA-N 1 0 414.347 3.954 20 30 HHEDRO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000552248666 1012260169 /nfs/dbraw/zinc/26/01/69/1012260169.db2.gz OLRSFFPSDZGUQC-HXUWFJFHSA-N 1 0 404.558 3.538 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C#N)ccc1OCCOC ZINC000541499742 1012279411 /nfs/dbraw/zinc/27/94/11/1012279411.db2.gz CLJHUWBCEWALGS-RBUKOAKNSA-N 1 0 402.539 3.606 20 30 HHEDRO Cc1ccnn1-c1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000541499574 1012279459 /nfs/dbraw/zinc/27/94/59/1012279459.db2.gz UKBQAXGWDATAKD-UHFFFAOYSA-N 1 0 402.502 3.648 20 30 HHEDRO C[C@H]1C[NH+](CC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@H](C)O1 ZINC000536983735 1012283934 /nfs/dbraw/zinc/28/39/34/1012283934.db2.gz YVCWRYWUTSVHAK-GJZGRUSLSA-N 1 0 400.473 3.710 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1)CC(C)C ZINC000536985981 1012288788 /nfs/dbraw/zinc/28/87/88/1012288788.db2.gz GLVSSHUQLGFQIA-UHFFFAOYSA-N 1 0 418.969 3.757 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000537023141 1012330209 /nfs/dbraw/zinc/33/02/09/1012330209.db2.gz MYAJTJXDWMWBCP-CQSZACIVSA-N 1 0 415.440 3.668 20 30 HHEDRO C[C@@H](NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000537034973 1012351246 /nfs/dbraw/zinc/35/12/46/1012351246.db2.gz IFNRZFDMOFIKAI-LJQANCHMSA-N 1 0 406.530 3.636 20 30 HHEDRO N#Cc1cccc(OCc2cccc(C(=O)NCC3([NH+]4CCCC4)CCOCC3)c2)c1 ZINC000523746125 1012367369 /nfs/dbraw/zinc/36/73/69/1012367369.db2.gz XNBJATVKHARYRE-UHFFFAOYSA-N 1 0 419.525 3.512 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067656 1012405146 /nfs/dbraw/zinc/40/51/46/1012405146.db2.gz ZFMDZRORYLABJX-NZQKXSOJSA-N 1 0 406.457 3.847 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000537068183 1012407544 /nfs/dbraw/zinc/40/75/44/1012407544.db2.gz STOITMOJEWLLCW-INIZCTEOSA-N 1 0 416.481 3.984 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@@H](C)C1 ZINC000523784056 1012433615 /nfs/dbraw/zinc/43/36/15/1012433615.db2.gz DBBVCRUILKVDPI-GBXCKJPGSA-N 1 0 420.557 3.740 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000541694529 1012541195 /nfs/dbraw/zinc/54/11/95/1012541195.db2.gz BDDZYANCJYEFMZ-HRAATJIYSA-N 1 0 418.497 3.711 20 30 HHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)ccc2NC1=O ZINC000537157327 1012553200 /nfs/dbraw/zinc/55/32/00/1012553200.db2.gz AAHVYLXOBHEIBS-VFVRVIDISA-N 1 0 410.474 3.555 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000537282152 1012737509 /nfs/dbraw/zinc/73/75/09/1012737509.db2.gz WNNHYKJJVWIMIS-XFQAVAEZSA-N 1 0 403.548 3.588 20 30 HHEDRO COc1ccccc1N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000537294098 1012751869 /nfs/dbraw/zinc/75/18/69/1012751869.db2.gz UGRNFKVGTGYPLL-UHFFFAOYSA-N 1 0 404.558 3.790 20 30 HHEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369572 1012841940 /nfs/dbraw/zinc/84/19/40/1012841940.db2.gz SZQJHOBFHCHGBG-RTBURBONSA-N 1 0 406.452 3.929 20 30 HHEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000552918288 1012916821 /nfs/dbraw/zinc/91/68/21/1012916821.db2.gz GBLDMWTYQBPFLJ-MRXNPFEDSA-N 1 0 422.472 3.948 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542026215 1012921211 /nfs/dbraw/zinc/92/12/11/1012921211.db2.gz NXHAXZCLWPOGLI-INIZCTEOSA-N 1 0 414.941 3.887 20 30 HHEDRO CC1(C)CC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC(C)(C)[NH2+]1 ZINC000542030731 1012927490 /nfs/dbraw/zinc/92/74/90/1012927490.db2.gz OMCXRRFDIBDNGL-UHFFFAOYSA-N 1 0 400.914 3.828 20 30 HHEDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000542033361 1012930598 /nfs/dbraw/zinc/93/05/98/1012930598.db2.gz VXNCSKGKQQNMAQ-UHFFFAOYSA-N 1 0 408.893 3.781 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000542035537 1012935231 /nfs/dbraw/zinc/93/52/31/1012935231.db2.gz HNEGUUIMFBDRLI-GOSISDBHSA-N 1 0 412.925 3.880 20 30 HHEDRO N#CC1(c2ccc(C(=O)NCCCC[NH+]3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000537483764 1012994333 /nfs/dbraw/zinc/99/43/33/1012994333.db2.gz CGEJNKCIRFQWLE-UHFFFAOYSA-N 1 0 402.542 3.574 20 30 HHEDRO C[NH+](C)Cc1ccnc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000553043379 1013017828 /nfs/dbraw/zinc/01/78/28/1013017828.db2.gz SHKHAVDJSFMYBB-UHFFFAOYSA-N 1 0 411.937 3.913 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000553044017 1013019189 /nfs/dbraw/zinc/01/91/89/1013019189.db2.gz RCWGQULAEUVRQI-OAQYLSRUSA-N 1 0 420.532 3.647 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000524211492 1013019451 /nfs/dbraw/zinc/01/94/51/1013019451.db2.gz LHJXWNQHAMAZHX-XZOQPEGZSA-N 1 0 406.530 3.552 20 30 HHEDRO CCCCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc2c(c1)CCCC2 ZINC000729668098 1071786241 /nfs/dbraw/zinc/78/62/41/1071786241.db2.gz AVWUUOLLJHTOCZ-UHFFFAOYSA-O 1 0 415.535 3.561 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001211975954 1071829540 /nfs/dbraw/zinc/82/95/40/1071829540.db2.gz VLOGDGSHLQMTMY-RTWAWAEBSA-N 1 0 414.550 3.651 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ncccc2Br)no1 ZINC001211975448 1071828973 /nfs/dbraw/zinc/82/89/73/1071828973.db2.gz HDTFMUNWVOUGFS-ZFWWWQNUSA-N 1 0 409.328 3.972 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001211975884 1071829926 /nfs/dbraw/zinc/82/99/26/1071829926.db2.gz SANONSYQPBMOAV-RTWAWAEBSA-N 1 0 414.550 3.651 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001211975701 1071829944 /nfs/dbraw/zinc/82/99/44/1071829944.db2.gz NTNVKNXNYYJGLC-MOPGFXCFSA-N 1 0 401.507 3.860 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533309886 1071847722 /nfs/dbraw/zinc/84/77/22/1071847722.db2.gz XASKIJZNOXRZNE-NRFANRHFSA-N 1 0 416.525 3.944 20 30 HHEDRO COc1ccc2c(c1)[C@H]([N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1)CCO2 ZINC000536740638 1072195234 /nfs/dbraw/zinc/19/52/34/1072195234.db2.gz FJJDWJPPEIRISI-JOCHJYFZSA-N 1 0 407.514 3.783 20 30 HHEDRO COc1ccc(-c2nnc(CNC(NCCc3ccccc3)=[NH+]C(C)(C)C)[nH]2)cc1 ZINC000912506658 1072243892 /nfs/dbraw/zinc/24/38/92/1072243892.db2.gz SHWRWHKFYBNXCR-UHFFFAOYSA-N 1 0 406.534 3.557 20 30 HHEDRO C=CCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc(CC)cc1 ZINC000912775424 1072281757 /nfs/dbraw/zinc/28/17/57/1072281757.db2.gz BCUJTNDOEXQPHV-UHFFFAOYSA-O 1 0 408.547 3.650 20 30 HHEDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)CC1 ZINC000760386918 1072301585 /nfs/dbraw/zinc/30/15/85/1072301585.db2.gz XJPOCLWUUHMCKA-UHFFFAOYSA-N 1 0 406.530 3.548 20 30 HHEDRO N#CCOc1cccc(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000760452962 1072371317 /nfs/dbraw/zinc/37/13/17/1072371317.db2.gz AOIXRRBYJOFHFI-UHFFFAOYSA-N 1 0 411.933 3.909 20 30 HHEDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001212113228 1072499222 /nfs/dbraw/zinc/49/92/22/1072499222.db2.gz DLUVLNWCARHDKK-UHFFFAOYSA-N 1 0 405.570 3.587 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000587706284 1072651709 /nfs/dbraw/zinc/65/17/09/1072651709.db2.gz VFMPQTHXJIIUCK-MOPGFXCFSA-N 1 0 420.557 3.761 20 30 HHEDRO CC(C)(C)c1ccc(C#N)c(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000588070504 1072776941 /nfs/dbraw/zinc/77/69/41/1072776941.db2.gz HHOJMXMGGCORGS-JOCHJYFZSA-N 1 0 403.574 3.647 20 30 HHEDRO COC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168362685 1072877607 /nfs/dbraw/zinc/87/76/07/1072877607.db2.gz BPGGRFDAQHKQPS-UHFFFAOYSA-N 1 0 415.534 3.619 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c(OC)c1 ZINC000571962955 1072957087 /nfs/dbraw/zinc/95/70/87/1072957087.db2.gz JUDURSZVFIXTLN-FQEVSTJZSA-N 1 0 409.526 3.719 20 30 HHEDRO C[C@H]1[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000572196098 1073225179 /nfs/dbraw/zinc/22/51/79/1073225179.db2.gz JQPNKAOWOMSLLH-CYFREDJKSA-N 1 0 418.541 3.774 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000555248649 1073278805 /nfs/dbraw/zinc/27/88/05/1073278805.db2.gz YFMQPSXPJQVCRD-UHFFFAOYSA-N 1 0 415.607 3.972 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000555243123 1073285677 /nfs/dbraw/zinc/28/56/77/1073285677.db2.gz HMZYGQHWBWUJHG-HXUWFJFHSA-N 1 0 409.578 3.766 20 30 HHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000555255319 1073303962 /nfs/dbraw/zinc/30/39/62/1073303962.db2.gz CYTHVRKJFBXJOO-PKOBYXMFSA-N 1 0 401.530 3.910 20 30 HHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000588980838 1073369520 /nfs/dbraw/zinc/36/95/20/1073369520.db2.gz VAUCLESPUXOZPV-QGZVFWFLSA-N 1 0 409.313 3.753 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)c1C ZINC000555512051 1073579048 /nfs/dbraw/zinc/57/90/48/1073579048.db2.gz SCSGDJNKUAMGEX-SFHVURJKSA-N 1 0 424.511 3.803 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1C#N ZINC000555735691 1073781566 /nfs/dbraw/zinc/78/15/66/1073781566.db2.gz YEFVYMTVZXLCJL-QFIPXVFZSA-N 1 0 408.546 3.681 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(Nc4ccccc4)n3)CC2)cc1 ZINC000591415689 1074280716 /nfs/dbraw/zinc/28/07/16/1074280716.db2.gz MWHHRQDSBJXAJA-UHFFFAOYSA-N 1 0 403.555 4.466 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000591415673 1074280750 /nfs/dbraw/zinc/28/07/50/1074280750.db2.gz FKNCKWBNHQFQKV-RSXGOPAZSA-N 1 0 419.569 3.521 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000592302016 1074719380 /nfs/dbraw/zinc/71/93/80/1074719380.db2.gz QSYZCFVNAFUUJI-STQMWFEESA-N 1 0 401.395 3.799 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000592302000 1074719551 /nfs/dbraw/zinc/71/95/51/1074719551.db2.gz OPNQUVKWQLHEHW-UHFFFAOYSA-N 1 0 403.954 3.985 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC[NH+](CC=C)CC1 ZINC000592524169 1074771443 /nfs/dbraw/zinc/77/14/43/1074771443.db2.gz QHVOADNCZDQMFJ-UHFFFAOYSA-N 1 0 410.331 3.936 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1 ZINC000592524178 1074781240 /nfs/dbraw/zinc/78/12/40/1074781240.db2.gz SUOWZDHBCJFWRT-UHFFFAOYSA-N 1 0 402.882 3.957 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000574069330 1075159170 /nfs/dbraw/zinc/15/91/70/1075159170.db2.gz QVHXVCRBEHBHFH-HOYKHHGWSA-N 1 0 412.493 3.988 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000574423846 1075239050 /nfs/dbraw/zinc/23/90/50/1075239050.db2.gz VKVMAFQTXUNAOH-MRXNPFEDSA-N 1 0 419.978 3.553 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000594124785 1075264990 /nfs/dbraw/zinc/26/49/90/1075264990.db2.gz KSDBJHKUGARHQA-LDQXTDLNSA-N 1 0 413.562 3.604 20 30 HHEDRO CC(C)[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000574873871 1075399367 /nfs/dbraw/zinc/39/93/67/1075399367.db2.gz JRBNAKWOYKEPFS-REWPJTCUSA-N 1 0 405.498 3.812 20 30 HHEDRO CCOC(=O)c1cc(C)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001164629896 719067758 /nfs/dbraw/zinc/06/77/58/719067758.db2.gz ZVMSCCTXRZIVID-KNQAVFIVSA-N 1 0 404.514 3.539 20 30 HHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1C#N)CC2 ZINC001164710355 720097559 /nfs/dbraw/zinc/09/75/59/720097559.db2.gz JFZMVPVBBQYSMH-IBGZPJMESA-N 1 0 411.937 3.509 20 30 HHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1 ZINC001164721678 720338783 /nfs/dbraw/zinc/33/87/83/720338783.db2.gz CZHJSFWMTTWPSX-QTJGBDASSA-N 1 0 410.525 3.689 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)c(Cl)cc3C#N)CC[C@@H]21 ZINC001164836670 720545017 /nfs/dbraw/zinc/54/50/17/720545017.db2.gz KSMDHTNWJXSPEQ-BQFCYCMXSA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)ccc1C#N)[C@@H]2C ZINC001164858985 721000400 /nfs/dbraw/zinc/00/04/00/721000400.db2.gz JSFQEOPJUGBYSC-QGZVFWFLSA-N 1 0 401.518 3.633 20 30 HHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164759428 721250765 /nfs/dbraw/zinc/25/07/65/721250765.db2.gz AEDHSTPTBNUPLZ-ZWKOTPCHSA-N 1 0 420.948 3.760 20 30 HHEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908753 721564797 /nfs/dbraw/zinc/56/47/97/721564797.db2.gz RXYXJBBSPQJLBL-UKRRQHHQSA-N 1 0 407.276 3.741 20 30 HHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(cc3C#N)CCCC4)C[C@H]21 ZINC001165027384 721823520 /nfs/dbraw/zinc/82/35/20/721823520.db2.gz SAFFLIJWYAJKCG-BPUDTRNYSA-N 1 0 401.558 3.964 20 30 HHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH]ccc5ncc(C#N)c4-5)CC3)C2)cc1 ZINC001164938599 721929816 /nfs/dbraw/zinc/92/98/16/721929816.db2.gz AFHGBHSKCKHNIJ-UHFFFAOYSA-N 1 0 401.514 3.614 20 30 HHEDRO N#Cc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301330640 970870388 /nfs/dbraw/zinc/87/03/88/970870388.db2.gz DOTUHUOKBBUXCE-UHFFFAOYSA-N 1 0 405.433 3.866 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)C2)c(F)c1 ZINC000553102235 1013067618 /nfs/dbraw/zinc/06/76/18/1013067618.db2.gz HDMCRXQAINBVGU-NRFANRHFSA-N 1 0 412.553 3.638 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000524265731 1013078262 /nfs/dbraw/zinc/07/82/62/1013078262.db2.gz SIOAGIFLUFUFRV-QFIPXVFZSA-N 1 0 409.530 3.896 20 30 HHEDRO CC1=CC[N@H+](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000553123681 1013085068 /nfs/dbraw/zinc/08/50/68/1013085068.db2.gz NRQQWFIQQWVBST-UHFFFAOYSA-N 1 0 400.954 3.586 20 30 HHEDRO CN1CCC([NH+]2CCC(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)CC1 ZINC000303218482 971565441 /nfs/dbraw/zinc/56/54/41/971565441.db2.gz UPSOFKPDYCUMDA-UHFFFAOYSA-N 1 0 418.541 3.639 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000303313976 971622285 /nfs/dbraw/zinc/62/22/85/971622285.db2.gz SYSMLEVCTXNBEX-INIZCTEOSA-N 1 0 424.372 3.612 20 30 HHEDRO C=CCOc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1OC ZINC000303469711 971771480 /nfs/dbraw/zinc/77/14/80/971771480.db2.gz QFXLWCDVKZTZAS-UHFFFAOYSA-N 1 0 404.576 3.742 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCCO)[C@@H]2CCc3ccccc32)sc2c1CCC2 ZINC000303566420 971860183 /nfs/dbraw/zinc/86/01/83/971860183.db2.gz OFELJPFPDOOXEG-HXUWFJFHSA-N 1 0 409.555 3.809 20 30 HHEDRO CCC[N@H+](CCc1cccc(F)c1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000303607722 971896270 /nfs/dbraw/zinc/89/62/70/971896270.db2.gz OFUAUMVBHUSBRY-UHFFFAOYSA-N 1 0 405.477 3.776 20 30 HHEDRO [NH2+]=C(NCc1coc(-c2cccs2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303790412 972029690 /nfs/dbraw/zinc/02/96/90/972029690.db2.gz WGKDMHAHUFGGTG-UHFFFAOYSA-N 1 0 401.923 3.693 20 30 HHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)c1cccc(OC)c1 ZINC000303780853 972023769 /nfs/dbraw/zinc/02/37/69/972023769.db2.gz LTADEYQSYLUPHA-HXUWFJFHSA-N 1 0 400.523 3.522 20 30 HHEDRO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000553196090 1013153279 /nfs/dbraw/zinc/15/32/79/1013153279.db2.gz CIMURVLWNOLWNV-HSZRJFAPSA-N 1 0 411.509 3.655 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)cc1 ZINC000303874801 972416061 /nfs/dbraw/zinc/41/60/61/972416061.db2.gz DBWBJIOMYJOAOL-KUHUBIRLSA-N 1 0 420.916 3.676 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)N1CCCCC1 ZINC000303885686 972425819 /nfs/dbraw/zinc/42/58/19/972425819.db2.gz JXWFHFRAHYIMKK-HXUWFJFHSA-N 1 0 424.545 3.810 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3cccc(Cl)c3)CCOCC2)cc1OC ZINC000303886382 972427065 /nfs/dbraw/zinc/42/70/65/972427065.db2.gz NROXKQVVIUFBJD-UHFFFAOYSA-N 1 0 417.937 3.510 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1OC ZINC000303892627 972432813 /nfs/dbraw/zinc/43/28/13/972432813.db2.gz NTBWWDKWXLSTOA-LJQANCHMSA-N 1 0 416.953 3.599 20 30 HHEDRO Cc1cccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 ZINC000303894810 972433722 /nfs/dbraw/zinc/43/37/22/972433722.db2.gz PBQMRUAZUOIBSH-HNAYVOBHSA-N 1 0 404.917 3.976 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCc2cccnc2Oc2cccc(F)c2)cc1OC ZINC000303904892 972475905 /nfs/dbraw/zinc/47/59/05/972475905.db2.gz VEYXFFHYWBQXDA-UHFFFAOYSA-N 1 0 424.476 3.677 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1Cl ZINC000303905328 972475612 /nfs/dbraw/zinc/47/56/12/972475612.db2.gz VLHIUHWHHWIARH-ZDUSSCGKSA-N 1 0 423.344 3.626 20 30 HHEDRO COc1ccccc1[C@H](CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)[NH+](C)C ZINC000553250588 1013216576 /nfs/dbraw/zinc/21/65/76/1013216576.db2.gz DYJVGPKPQJCHAK-INIZCTEOSA-N 1 0 400.404 3.669 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c(OC)c1 ZINC000553283083 1013241140 /nfs/dbraw/zinc/24/11/40/1013241140.db2.gz LAMVYHAMKFSTML-OAQYLSRUSA-N 1 0 415.505 3.598 20 30 HHEDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000007995600 961392234 /nfs/dbraw/zinc/39/22/34/961392234.db2.gz UOUBDXSDSUPZOT-UHFFFAOYSA-N 1 0 424.570 3.709 20 30 HHEDRO N#Cc1ccncc1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000553308031 1013262260 /nfs/dbraw/zinc/26/22/60/1013262260.db2.gz AFXILCPPHHZGGN-UHFFFAOYSA-N 1 0 411.509 3.523 20 30 HHEDRO O=C(c1ccc(F)cc1F)C(C(=S)Nc1ccc(F)cc1)[n+]1cccc(CO)c1 ZINC000010829279 961921620 /nfs/dbraw/zinc/92/16/20/961921620.db2.gz QFKMUEMFDBVICF-UHFFFAOYSA-O 1 0 417.432 3.935 20 30 HHEDRO Cc1nc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000011226722 962037326 /nfs/dbraw/zinc/03/73/26/962037326.db2.gz LICMKIYHRFMMST-UHFFFAOYSA-N 1 0 408.571 3.751 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Br)cc1)C(=S)NC1CC1 ZINC000022688450 963696960 /nfs/dbraw/zinc/69/69/60/963696960.db2.gz KYSPGERVVAZGBE-UHFFFAOYSA-O 1 0 404.353 3.990 20 30 HHEDRO COCCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc2c(c1)CCCC2 ZINC000022792794 963718142 /nfs/dbraw/zinc/71/81/42/963718142.db2.gz FEWJEPFOQORIGT-UHFFFAOYSA-O 1 0 409.984 3.743 20 30 HHEDRO CCCNC(=S)C(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[n+]1ccc(CC)cc1 ZINC000022806235 963720586 /nfs/dbraw/zinc/72/05/86/963720586.db2.gz LTVLTHLRUMUGSO-UHFFFAOYSA-O 1 0 416.567 3.597 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCOc3ccc(Br)cc3)CC2)cc1 ZINC000022850367 963728227 /nfs/dbraw/zinc/72/82/27/963728227.db2.gz BKHLPLHQGMPDQH-UHFFFAOYSA-N 1 0 414.347 3.907 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000024445304 964001426 /nfs/dbraw/zinc/00/14/26/964001426.db2.gz GWYPNFVVYGHNKD-UHFFFAOYSA-N 1 0 405.523 3.765 20 30 HHEDRO COc1ccc(-c2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000024825355 964085457 /nfs/dbraw/zinc/08/54/57/964085457.db2.gz FQBBSALIVDNVQE-UHFFFAOYSA-N 1 0 402.498 3.930 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000542529314 1013472216 /nfs/dbraw/zinc/47/22/16/1013472216.db2.gz XBGYFKONQRVKTI-JTQLQIEISA-N 1 0 413.831 3.877 20 30 HHEDRO CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000542533870 1013478157 /nfs/dbraw/zinc/47/81/57/1013478157.db2.gz PWFPOFQRPHYGMG-RTWAWAEBSA-N 1 0 402.970 3.621 20 30 HHEDRO CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000025303736 964235846 /nfs/dbraw/zinc/23/58/46/964235846.db2.gz MNNIZRKPMJEPGM-XMMPIXPASA-N 1 0 421.585 3.803 20 30 HHEDRO Cc1nc(-c2cc3c(s2)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C3)cs1 ZINC000537895679 1013478980 /nfs/dbraw/zinc/47/89/80/1013478980.db2.gz AIVWAUQMXSWKBK-QGZVFWFLSA-N 1 0 411.552 3.850 20 30 HHEDRO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000542549566 1013493088 /nfs/dbraw/zinc/49/30/88/1013493088.db2.gz KGPQXAOHKCYZTI-NRFANRHFSA-N 1 0 400.444 3.784 20 30 HHEDRO CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000028694273 965163696 /nfs/dbraw/zinc/16/36/96/965163696.db2.gz WXJXMSXCALBSKX-UHFFFAOYSA-O 1 0 400.568 3.967 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000028960328 965226000 /nfs/dbraw/zinc/22/60/00/965226000.db2.gz NEPQJILDTWTKSJ-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)CC1 ZINC000553710835 1013564000 /nfs/dbraw/zinc/56/40/00/1013564000.db2.gz BJHATLXOOCRHLO-NRFANRHFSA-N 1 0 411.546 3.711 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000054223092 965432729 /nfs/dbraw/zinc/43/27/29/965432729.db2.gz ABILOEDQUBBSPL-NQIIRXRSSA-N 1 0 407.514 3.678 20 30 HHEDRO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000029755190 965486039 /nfs/dbraw/zinc/48/60/39/965486039.db2.gz CLDUKAFKBPVQHU-AVRDEDQJSA-N 1 0 407.514 3.678 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000029755187 965486299 /nfs/dbraw/zinc/48/62/99/965486299.db2.gz CLDUKAFKBPVQHU-XMSQKQJNSA-N 1 0 407.514 3.678 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)sc2C1 ZINC000054423646 965510874 /nfs/dbraw/zinc/51/08/74/965510874.db2.gz VCEIXYPFFBQNEG-KRWDZBQOSA-N 1 0 408.571 3.895 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000054454811 965524652 /nfs/dbraw/zinc/52/46/52/965524652.db2.gz KNJALBYTGLSOFA-UHFFFAOYSA-N 1 0 407.905 3.970 20 30 HHEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058397040 965718942 /nfs/dbraw/zinc/71/89/42/965718942.db2.gz JDVUAJILUHQPSG-UHFFFAOYSA-N 1 0 407.514 3.589 20 30 HHEDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1Br ZINC000030537451 965722353 /nfs/dbraw/zinc/72/23/53/965722353.db2.gz JQYKVLJUWYABQC-WMLDXEAASA-N 1 0 419.319 3.614 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000030580228 965735635 /nfs/dbraw/zinc/73/56/35/965735635.db2.gz WUEOGFCFFSLKFS-QHCPKHFHSA-N 1 0 408.521 3.690 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000058560009 965783164 /nfs/dbraw/zinc/78/31/64/965783164.db2.gz JCFWNWOYMAAFEU-HNNXBMFYSA-N 1 0 412.437 3.985 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[NH+]1CCCCC1 ZINC000055752507 966049315 /nfs/dbraw/zinc/04/93/15/966049315.db2.gz HYSBDBDJZZSSIJ-WIYYLYMNSA-N 1 0 407.514 3.678 20 30 HHEDRO CC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477364 966163373 /nfs/dbraw/zinc/16/33/73/966163373.db2.gz NRYDSSJIISATCP-LJQANCHMSA-N 1 0 418.541 3.818 20 30 HHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000538055030 1013631167 /nfs/dbraw/zinc/63/11/67/1013631167.db2.gz FIXTUVMEXPPLHG-FQEVSTJZSA-N 1 0 418.541 3.525 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000032269634 966209794 /nfs/dbraw/zinc/20/97/94/966209794.db2.gz RYTUDXFEORYERU-IBGZPJMESA-N 1 0 409.555 3.796 20 30 HHEDRO COc1ccc(C(C)(C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000060576884 966213100 /nfs/dbraw/zinc/21/31/00/966213100.db2.gz USQMXALGMNZOSF-UHFFFAOYSA-N 1 0 420.557 3.762 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056515961 966360800 /nfs/dbraw/zinc/36/08/00/966360800.db2.gz RZNQNENNBSKPDW-UHFFFAOYSA-N 1 0 401.308 3.916 20 30 HHEDRO C=CCOc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000553840251 1013649219 /nfs/dbraw/zinc/64/92/19/1013649219.db2.gz RFCSMSLPJNFIPO-UHFFFAOYSA-N 1 0 423.557 3.971 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000056802154 966469521 /nfs/dbraw/zinc/46/95/21/966469521.db2.gz LPVHCAWOLSANRU-UHFFFAOYSA-N 1 0 408.502 3.705 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000062046294 966605945 /nfs/dbraw/zinc/60/59/45/966605945.db2.gz YNUVRZQSHRCAGQ-MRXNPFEDSA-N 1 0 424.932 3.841 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081467 966748622 /nfs/dbraw/zinc/74/86/22/966748622.db2.gz WGLVGQYMYAZFCA-UHFFFAOYSA-N 1 0 421.541 3.754 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633634 966814481 /nfs/dbraw/zinc/81/44/81/966814481.db2.gz VITIAVGHCBXXLB-SFHVURJKSA-N 1 0 407.514 3.916 20 30 HHEDRO CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741071 966840362 /nfs/dbraw/zinc/84/03/62/966840362.db2.gz SXLQHQCRTDQQLH-MRXNPFEDSA-N 1 0 401.457 3.901 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(OC(F)F)c1 ZINC000538119718 1013682221 /nfs/dbraw/zinc/68/22/21/1013682221.db2.gz ROUCBTQGMUUCGW-CQSZACIVSA-N 1 0 411.412 3.635 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc(OC)c1OC ZINC000538124910 1013687147 /nfs/dbraw/zinc/68/71/47/1013687147.db2.gz DYTHDRFPJQTLRI-GFCCVEGCSA-N 1 0 403.866 3.527 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000538129917 1013691534 /nfs/dbraw/zinc/69/15/34/1013691534.db2.gz WTHKVCHIRMZWPB-DLBZAZTESA-N 1 0 408.502 3.640 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3ccc(Br)s3)CCC2)CC1 ZINC000553921010 1013702512 /nfs/dbraw/zinc/70/25/12/1013702512.db2.gz GVOYOHWHJDZVBC-UHFFFAOYSA-N 1 0 412.397 3.882 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000064497669 967214597 /nfs/dbraw/zinc/21/45/97/967214597.db2.gz UFLMNZJGWOTHPL-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1OCCCC#N ZINC000064613484 967249629 /nfs/dbraw/zinc/24/96/29/967249629.db2.gz NHXKDFKBXLNZIA-UHFFFAOYSA-N 1 0 401.551 3.502 20 30 HHEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cn2)n1 ZINC000542860066 1013715763 /nfs/dbraw/zinc/71/57/63/1013715763.db2.gz ASKKWKGTTBCEAR-UHFFFAOYSA-N 1 0 400.530 3.510 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000045303851 967413646 /nfs/dbraw/zinc/41/36/46/967413646.db2.gz HXBLPRYRJDVLTI-UHFFFAOYSA-N 1 0 416.447 3.995 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CC(=O)Nc2cccc(F)c2)cc1OC ZINC000065275802 967423397 /nfs/dbraw/zinc/42/33/97/967423397.db2.gz QXTGVEJBIDHJLT-UHFFFAOYSA-N 1 0 423.282 3.890 20 30 HHEDRO C=CCc1cc(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000065285063 967428617 /nfs/dbraw/zinc/42/86/17/967428617.db2.gz VQBATOUMYOBBMZ-UHFFFAOYSA-N 1 0 423.557 3.680 20 30 HHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000045789820 967553097 /nfs/dbraw/zinc/55/30/97/967553097.db2.gz IUGBTFMXVPLVCJ-UHFFFAOYSA-N 1 0 419.573 3.820 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542899680 1013742603 /nfs/dbraw/zinc/74/26/03/1013742603.db2.gz ABTGMVQOFKTGFW-PXNSSMCTSA-N 1 0 424.570 3.969 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccccc1 ZINC000538203453 1013758363 /nfs/dbraw/zinc/75/83/63/1013758363.db2.gz MSBFURBBHIFWIH-HKUYNNGSSA-N 1 0 406.530 3.707 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538209019 1013762622 /nfs/dbraw/zinc/76/26/22/1013762622.db2.gz WOHDMVYXXLLSKP-HUUCEWRRSA-N 1 0 422.554 3.913 20 30 HHEDRO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542941722 1013774758 /nfs/dbraw/zinc/77/47/58/1013774758.db2.gz DNJUFXWZLDIPGF-JTSKRJEESA-N 1 0 407.514 3.580 20 30 HHEDRO O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964473 968379362 /nfs/dbraw/zinc/37/93/62/968379362.db2.gz HIUFKSNNJZXYFA-SFHVURJKSA-N 1 0 406.511 3.789 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000048159647 968462433 /nfs/dbraw/zinc/46/24/33/968462433.db2.gz JQTGIJAUODKFTM-UHFFFAOYSA-N 1 0 406.530 3.910 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000048163458 968465993 /nfs/dbraw/zinc/46/59/93/968465993.db2.gz OFEGRTMQHDJXSY-FQEVSTJZSA-N 1 0 401.466 3.735 20 30 HHEDRO COc1cccc([C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[NH+](C)C)c1 ZINC000048184689 968474874 /nfs/dbraw/zinc/47/48/74/968474874.db2.gz IBXCVXPBPIFZTL-NRFANRHFSA-N 1 0 419.481 3.772 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000065930768 968720721 /nfs/dbraw/zinc/72/07/21/968720721.db2.gz KTPQDKQYXGRVEF-UHFFFAOYSA-N 1 0 407.905 3.806 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000065975140 968746050 /nfs/dbraw/zinc/74/60/50/968746050.db2.gz WDETUCNTUBSUDT-UHFFFAOYSA-N 1 0 419.550 3.978 20 30 HHEDRO CCOc1ccccc1NC(=O)[C@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000097571470 969165970 /nfs/dbraw/zinc/16/59/70/969165970.db2.gz ZAJAJQKWUFUBFO-SFHVURJKSA-N 1 0 424.545 3.735 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccccc1OC ZINC000105418370 969237285 /nfs/dbraw/zinc/23/72/85/969237285.db2.gz INHPAPLRWBJEHP-UHFFFAOYSA-N 1 0 414.893 3.509 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000110391462 969661511 /nfs/dbraw/zinc/66/15/11/969661511.db2.gz OTCUPJKEBBCEOO-QGZVFWFLSA-N 1 0 409.509 3.916 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CNc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000111072560 969772381 /nfs/dbraw/zinc/77/23/81/969772381.db2.gz PUMFZYCUKKSSGO-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO CCCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000116557365 969904123 /nfs/dbraw/zinc/90/41/23/969904123.db2.gz DEMYBICACKEFIY-JOCHJYFZSA-N 1 0 421.541 3.849 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(CC[NH+](C)C)CC2)cc1C ZINC000139972403 970057045 /nfs/dbraw/zinc/05/70/45/970057045.db2.gz VQVIAANMRYCUMT-UHFFFAOYSA-N 1 0 407.562 3.885 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)COc3ccc(F)cc3)c2)c1 ZINC000140524087 970079154 /nfs/dbraw/zinc/07/91/54/970079154.db2.gz KJALNULJYHCTSF-QFIPXVFZSA-N 1 0 406.457 3.806 20 30 HHEDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000236581508 970143345 /nfs/dbraw/zinc/14/33/45/970143345.db2.gz YHWVHFQYXQMBBK-LJQANCHMSA-N 1 0 400.542 3.683 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)c1 ZINC000236608649 970146202 /nfs/dbraw/zinc/14/62/02/970146202.db2.gz ORWKLPJAEQSLRZ-UHFFFAOYSA-N 1 0 416.319 3.651 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)ccc1OC ZINC000142902793 970172941 /nfs/dbraw/zinc/17/29/41/970172941.db2.gz BCBUWPHNIRQZQC-OALUTQOASA-N 1 0 411.546 3.949 20 30 HHEDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000236957176 970195029 /nfs/dbraw/zinc/19/50/29/970195029.db2.gz RSZCHPPIUXHUMH-SFHVURJKSA-N 1 0 407.514 3.771 20 30 HHEDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000236957209 970195223 /nfs/dbraw/zinc/19/52/23/970195223.db2.gz RSZCHPPIUXHUMH-GOSISDBHSA-N 1 0 407.514 3.771 20 30 HHEDRO CCOc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC(F)F ZINC000237081231 970219481 /nfs/dbraw/zinc/21/94/81/970219481.db2.gz KEJYZLGVHJQFMQ-UHFFFAOYSA-N 1 0 402.445 3.712 20 30 HHEDRO CCc1cc(N2CCC[C@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)ncn1 ZINC000237090691 970221074 /nfs/dbraw/zinc/22/10/74/970221074.db2.gz VDAGGCDWXMKMRH-QFIPXVFZSA-N 1 0 415.545 3.575 20 30 HHEDRO COc1cccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)N(C)C)c1 ZINC000237288647 970256503 /nfs/dbraw/zinc/25/65/03/970256503.db2.gz GAVNTFLVGDWUAL-HSZRJFAPSA-N 1 0 403.530 3.865 20 30 HHEDRO C=CCn1c(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccccc1 ZINC000145299502 970257733 /nfs/dbraw/zinc/25/77/33/970257733.db2.gz ATYDYJDVWFZRQN-OAQYLSRUSA-N 1 0 406.555 3.642 20 30 HHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)cc(OC)c1O ZINC000237350794 970268358 /nfs/dbraw/zinc/26/83/58/970268358.db2.gz PNBIOLNIDAVAPI-UHFFFAOYSA-N 1 0 401.551 3.726 20 30 HHEDRO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](O)COc4ccc(CC#N)cc4)CC3)c2c1 ZINC000145737803 970270466 /nfs/dbraw/zinc/27/04/66/970270466.db2.gz DKRPAHDZGAXQEG-FQEVSTJZSA-N 1 0 419.525 3.862 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2(N3CCSCC3)CCCC2)c(-c2ccccc2)n1 ZINC000237829309 970376678 /nfs/dbraw/zinc/37/66/78/970376678.db2.gz SUXRYGHSCJRKNE-UHFFFAOYSA-N 1 0 409.603 3.915 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](O)COc3ccc(F)c(F)c3)c2)c1 ZINC000237971742 970407912 /nfs/dbraw/zinc/40/79/12/970407912.db2.gz BQEBBGKZZFVCKC-HXUWFJFHSA-N 1 0 424.447 3.945 20 30 HHEDRO C[C@@H](NC(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000254928381 970582545 /nfs/dbraw/zinc/58/25/45/970582545.db2.gz YDWFWEBXDJBSNK-LJQANCHMSA-N 1 0 417.509 3.904 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1Cl ZINC000261369576 970629271 /nfs/dbraw/zinc/62/92/71/970629271.db2.gz VDEBBESRJBYSSW-UHFFFAOYSA-N 1 0 411.889 3.841 20 30 HHEDRO CCc1cccc(NC(=[NH2+])NCCCNC(=O)c2cccc(Br)c2)c1 ZINC000303985807 972568127 /nfs/dbraw/zinc/56/81/27/972568127.db2.gz UAKBFTMUFKZEIJ-UHFFFAOYSA-N 1 0 403.324 3.558 20 30 HHEDRO COc1ccc(OC)c([C@@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304503206 972601106 /nfs/dbraw/zinc/60/11/06/972601106.db2.gz SOCTVXMPEVYRNK-NRFANRHFSA-N 1 0 407.470 3.956 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000304492784 972601348 /nfs/dbraw/zinc/60/13/48/972601348.db2.gz OIIPMOCGSRKFND-KRWDZBQOSA-N 1 0 410.440 3.810 20 30 HHEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])NCc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000304488560 972601545 /nfs/dbraw/zinc/60/15/45/972601545.db2.gz KYNNIXYKLUKHPQ-INIZCTEOSA-N 1 0 422.451 3.525 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCCCCC2)nc1 ZINC000304512690 972602764 /nfs/dbraw/zinc/60/27/64/972602764.db2.gz XOTMWVDRYGFDNS-UHFFFAOYSA-N 1 0 421.467 3.965 20 30 HHEDRO CN(C)[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000304739951 972604196 /nfs/dbraw/zinc/60/41/96/972604196.db2.gz BKRXFUJILYGXEF-HNNXBMFYSA-N 1 0 402.367 3.893 20 30 HHEDRO [NH2+]=C(NCCCC(=O)N1Cc2ccccc2C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304740901 972604367 /nfs/dbraw/zinc/60/43/67/972604367.db2.gz BWVQIAMOLJHJRY-UHFFFAOYSA-N 1 0 406.408 3.634 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)c2ccc(OCC(C)C)cc2)CC1 ZINC000304748744 972604380 /nfs/dbraw/zinc/60/43/80/972604380.db2.gz HIAADVLITNBIJO-UHFFFAOYSA-N 1 0 418.582 3.524 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2Oc2cccc(C)c2)CC1 ZINC000304758866 972605518 /nfs/dbraw/zinc/60/55/18/972605518.db2.gz QOQZJDYZUVGOKR-UHFFFAOYSA-N 1 0 410.518 3.813 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCC2(c3ccccc3Cl)CCOCC2)cc1 ZINC000304762091 972605708 /nfs/dbraw/zinc/60/57/08/972605708.db2.gz VHWOSNXJVHAWFJ-UHFFFAOYSA-N 1 0 401.938 3.544 20 30 HHEDRO CCOc1ccc([C@H](C)NC(=O)CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1 ZINC000304931118 972608090 /nfs/dbraw/zinc/60/80/90/972608090.db2.gz CIRGTOUFANIUGX-KRWDZBQOSA-N 1 0 408.546 3.958 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@H](CNC(=[NH2+])Nc3cccc4c3CCCC4)C2)c1 ZINC000305018141 972608710 /nfs/dbraw/zinc/60/87/10/972608710.db2.gz MSUSANVCIMAMPW-QGZVFWFLSA-N 1 0 408.546 3.836 20 30 HHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(O[C@@H]2CCOC2)c1 ZINC000305077010 972609948 /nfs/dbraw/zinc/60/99/48/972609948.db2.gz VTDBKZCVYLFJSZ-QGZVFWFLSA-N 1 0 409.408 3.988 20 30 HHEDRO [NH2+]=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ccccc1OC(F)(F)F ZINC000305264611 972611909 /nfs/dbraw/zinc/61/19/09/972611909.db2.gz YLVOCHULCPDURH-UHFFFAOYSA-N 1 0 406.408 3.634 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCCCOc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000305460140 972613554 /nfs/dbraw/zinc/61/35/54/972613554.db2.gz VGEDSQXHFRDMOE-UHFFFAOYSA-N 1 0 402.804 3.958 20 30 HHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000392221021 972850181 /nfs/dbraw/zinc/85/01/81/972850181.db2.gz ZOHAYCOYNRQCKL-UHFFFAOYSA-N 1 0 407.352 3.588 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000409573700 973022942 /nfs/dbraw/zinc/02/29/42/973022942.db2.gz GEIMDCBMVFBDHY-OAQYLSRUSA-N 1 0 419.569 3.876 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000409649270 973099748 /nfs/dbraw/zinc/09/97/48/973099748.db2.gz CBPZJKAEGZNCPH-FPOVZHCZSA-N 1 0 403.364 3.810 20 30 HHEDRO Cc1cc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)ccc1OCC[NH+]1CCCC1 ZINC000409716916 973191446 /nfs/dbraw/zinc/19/14/46/973191446.db2.gz NHVGQENYGXZIQX-UHFFFAOYSA-N 1 0 415.497 3.779 20 30 HHEDRO N#Cc1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000410017408 973498717 /nfs/dbraw/zinc/49/87/17/973498717.db2.gz TZVNAULOKVVJBL-UHFFFAOYSA-N 1 0 411.937 3.936 20 30 HHEDRO C=CCN1CC[C@@H]([N@H+](CCc2ccc(OC)c(OC)c2)Cc2ccsc2)C1=O ZINC000410400078 973999733 /nfs/dbraw/zinc/99/97/33/973999733.db2.gz GWPAUXZOAZVRKW-LJQANCHMSA-N 1 0 400.544 3.597 20 30 HHEDRO C[C@@](C#N)(NC(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000425928530 974038759 /nfs/dbraw/zinc/03/87/59/974038759.db2.gz YKSUFNDHVBSRQS-MJGOQNOKSA-N 1 0 408.315 3.827 20 30 HHEDRO CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425968679 974072282 /nfs/dbraw/zinc/07/22/82/974072282.db2.gz VBPISBWKRXGYNL-JOCHJYFZSA-N 1 0 402.460 3.626 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176453 974287112 /nfs/dbraw/zinc/28/71/12/974287112.db2.gz MWHLXKCODAOJNV-LSDHHAIUSA-N 1 0 417.575 3.737 20 30 HHEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000426512770 974498297 /nfs/dbraw/zinc/49/82/97/974498297.db2.gz DAVKNSPZYODCCB-SFHVURJKSA-N 1 0 420.513 3.526 20 30 HHEDRO CC(C)(C)[N@@H+]1C[C@@H](c2nc(COCC(F)(F)C(F)F)no2)[C@H](C(F)(F)F)C1 ZINC000426571888 974536790 /nfs/dbraw/zinc/53/67/90/974536790.db2.gz WTZODBGZITXOLU-RKDXNWHRSA-N 1 0 407.330 3.863 20 30 HHEDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000426776744 974652672 /nfs/dbraw/zinc/65/26/72/974652672.db2.gz HJLFQSJRMCRSPS-KRWDZBQOSA-N 1 0 424.570 3.748 20 30 HHEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000426812797 974679192 /nfs/dbraw/zinc/67/91/92/974679192.db2.gz ZZPQHAGNNPLTQY-SFHVURJKSA-N 1 0 413.543 3.560 20 30 HHEDRO C=CCn1c(SCC(=O)N[C@H](C)C[N@H+](C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000427496282 975147625 /nfs/dbraw/zinc/14/76/25/975147625.db2.gz VRFMJQVEKAMSEQ-OAHLLOKOSA-N 1 0 421.998 3.722 20 30 HHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000428234764 975552828 /nfs/dbraw/zinc/55/28/28/975552828.db2.gz DTNXCHCLKHAMRW-UHFFFAOYSA-N 1 0 403.486 3.656 20 30 HHEDRO CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000428526505 975819171 /nfs/dbraw/zinc/81/91/71/975819171.db2.gz IVTYNWOEOSTSLA-QFIPXVFZSA-N 1 0 413.525 3.810 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)cc(OC)c1O ZINC000428529706 975822999 /nfs/dbraw/zinc/82/29/99/975822999.db2.gz BMIJFHQCJKHNQD-QGZVFWFLSA-N 1 0 420.347 3.833 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)ccc1OC ZINC000428533670 975829530 /nfs/dbraw/zinc/82/95/30/975829530.db2.gz DRYUCEUIJIIUAS-UHFFFAOYSA-N 1 0 409.935 3.997 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)nc1 ZINC000428801423 976079730 /nfs/dbraw/zinc/07/97/30/976079730.db2.gz FIEWIDFNQSNJRH-MRXNPFEDSA-N 1 0 409.287 3.917 20 30 HHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H](C)C1 ZINC000428988720 976270424 /nfs/dbraw/zinc/27/04/24/976270424.db2.gz CBMHHZOCSBJDHG-NHAYFPRASA-N 1 0 414.619 3.735 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C#N ZINC000429016182 976297460 /nfs/dbraw/zinc/29/74/60/976297460.db2.gz AVTKXKMGXKGETM-YZZKKUAISA-N 1 0 419.573 3.566 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H](C4CCC4)C3)sc2C1 ZINC000429228038 976520920 /nfs/dbraw/zinc/52/09/20/976520920.db2.gz QFXXLTITLPTIFV-WBVHZDCISA-N 1 0 401.576 3.822 20 30 HHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000429385684 976659328 /nfs/dbraw/zinc/65/93/28/976659328.db2.gz IEVQPQFQNLYBMG-DEOSSOPVSA-N 1 0 424.633 3.994 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000429560748 976828762 /nfs/dbraw/zinc/82/87/62/976828762.db2.gz KAFUUIURDWRQTA-XMMPIXPASA-N 1 0 422.529 3.760 20 30 HHEDRO C[C@H](NC(=O)c1cccc(SCC#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000429786457 977067726 /nfs/dbraw/zinc/06/77/26/977067726.db2.gz UKFMMUQDYWOHGI-INIZCTEOSA-N 1 0 412.534 3.684 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)nc1 ZINC000430165941 977361341 /nfs/dbraw/zinc/36/13/41/977361341.db2.gz DDJSKCMWGRMEMD-SFHVURJKSA-N 1 0 412.287 3.645 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430647224 977666733 /nfs/dbraw/zinc/66/67/33/977666733.db2.gz FFCQCLXUKZIXNI-AVRDEDQJSA-N 1 0 407.562 3.516 20 30 HHEDRO C=CCN1C(=O)N(Cc2cccc(C[NH+]3CCCC3)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430751277 977729190 /nfs/dbraw/zinc/72/91/90/977729190.db2.gz UNXKVYJENIZHRF-HSZRJFAPSA-N 1 0 403.526 3.844 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cccc(SCC#N)c3)CC2)c1 ZINC000430776965 977750144 /nfs/dbraw/zinc/75/01/44/977750144.db2.gz RURDZGBFLLBRGW-UHFFFAOYSA-N 1 0 422.598 3.943 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000430861990 977820780 /nfs/dbraw/zinc/82/07/80/977820780.db2.gz CKLKPLWNKKGICC-IRLDBZIGSA-N 1 0 405.546 3.637 20 30 HHEDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1OCCCC#N ZINC000430875977 977841534 /nfs/dbraw/zinc/84/15/34/977841534.db2.gz PLYRSTRPMZJQPT-HXUWFJFHSA-N 1 0 407.514 3.863 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431036257 977969533 /nfs/dbraw/zinc/96/95/33/977969533.db2.gz VXBPBTGOANSWCM-PTUXOGIPSA-N 1 0 403.526 3.883 20 30 HHEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000431155317 978056148 /nfs/dbraw/zinc/05/61/48/978056148.db2.gz DVAHBKPNNQPEOE-UHFFFAOYSA-N 1 0 418.440 3.786 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000432092520 978676768 /nfs/dbraw/zinc/67/67/68/978676768.db2.gz IMIAUVDBUDYCAG-MRXNPFEDSA-N 1 0 411.531 3.696 20 30 HHEDRO CC(C)(CNC(=O)CCCC(=O)Nc1ccccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000432532589 978868729 /nfs/dbraw/zinc/86/87/29/978868729.db2.gz XCOUNFCDSZPSFD-UHFFFAOYSA-N 1 0 418.541 3.620 20 30 HHEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000433009174 979040707 /nfs/dbraw/zinc/04/07/07/979040707.db2.gz GQHPPVCHLLGGTM-SFHVURJKSA-N 1 0 408.893 3.884 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H](O)Cc3ccccc3)sc2C1 ZINC000433065378 979056509 /nfs/dbraw/zinc/05/65/09/979056509.db2.gz CGAHMXWUEKCSIX-SJLPKXTDSA-N 1 0 411.571 3.609 20 30 HHEDRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433066136 979056767 /nfs/dbraw/zinc/05/67/67/979056767.db2.gz GCLSOQWCOMNVEN-LEWJYISDSA-N 1 0 404.470 3.580 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCCO1 ZINC000433110268 979077336 /nfs/dbraw/zinc/07/73/36/979077336.db2.gz OMWZIUVNCWSKBN-SFHVURJKSA-N 1 0 408.502 3.973 20 30 HHEDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CN1Cc1ccccc1 ZINC000433306403 979226769 /nfs/dbraw/zinc/22/67/69/979226769.db2.gz QZPHCJDBPZMGJB-WMZHIEFXSA-N 1 0 400.530 3.611 20 30 HHEDRO CC1CCN(c2ccc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)cn2)CC1 ZINC000433311602 979229377 /nfs/dbraw/zinc/22/93/77/979229377.db2.gz MXXMJHZHMVQGJE-UHFFFAOYSA-N 1 0 415.545 3.780 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2ccc(Br)cc2)c(-c2ccncc2)n1 ZINC000433310732 979229506 /nfs/dbraw/zinc/22/95/06/979229506.db2.gz DKOKPGHNWHHUJS-UHFFFAOYSA-N 1 0 410.319 3.954 20 30 HHEDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433321634 979235196 /nfs/dbraw/zinc/23/51/96/979235196.db2.gz YOHOTEHMPAOMPM-CVDCTZTESA-N 1 0 400.530 3.784 20 30 HHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1Cl ZINC000433340883 979249361 /nfs/dbraw/zinc/24/93/61/979249361.db2.gz QTYXGLPUBIKDIS-NRFANRHFSA-N 1 0 408.937 3.905 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCO1 ZINC000433487834 979332536 /nfs/dbraw/zinc/33/25/36/979332536.db2.gz LGUFNVZIAZUIMA-GOSISDBHSA-N 1 0 408.502 3.973 20 30 HHEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH2+][C@H](C)c1ccccc1 ZINC000433887440 979652137 /nfs/dbraw/zinc/65/21/37/979652137.db2.gz HWOBXUYGULDABJ-APWZRJJASA-N 1 0 410.493 3.518 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000434778520 980394329 /nfs/dbraw/zinc/39/43/29/980394329.db2.gz VEYSYALYBRQVJO-BGYRXZFFSA-N 1 0 421.541 3.756 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C1=O ZINC000434859700 980453853 /nfs/dbraw/zinc/45/38/53/980453853.db2.gz FLPIPIYYIJKGQV-SFHVURJKSA-N 1 0 415.946 3.716 20 30 HHEDRO COC(=O)[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000434866342 980456782 /nfs/dbraw/zinc/45/67/82/980456782.db2.gz CGFXGYCOMISGPN-QHCPKHFHSA-N 1 0 420.513 3.699 20 30 HHEDRO Cc1cc(NC(=O)NCc2cccc(C#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435516470 980913672 /nfs/dbraw/zinc/91/36/72/980913672.db2.gz LQIXXMABPDKBJC-QFIPXVFZSA-N 1 0 414.513 3.832 20 30 HHEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000435632016 980968120 /nfs/dbraw/zinc/96/81/20/980968120.db2.gz KEUXPESCVXVNRY-JXFKEZNVSA-N 1 0 410.493 3.518 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000435737094 981009617 /nfs/dbraw/zinc/00/96/17/981009617.db2.gz DLKWRAKLBSZOIU-YVEFUNNKSA-N 1 0 404.385 3.615 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1C#N ZINC000435830507 981050336 /nfs/dbraw/zinc/05/03/36/981050336.db2.gz GPWPHESJPAHEDV-QGZVFWFLSA-N 1 0 422.529 3.530 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000436283556 981283399 /nfs/dbraw/zinc/28/33/99/981283399.db2.gz LRNQMBYZMYRBPZ-AXHNFQJDSA-N 1 0 408.564 3.830 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436293345 981286513 /nfs/dbraw/zinc/28/65/13/981286513.db2.gz CVYJJLNULATJRC-BWAGFHJFSA-N 1 0 403.519 3.889 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000436307800 981290169 /nfs/dbraw/zinc/29/01/69/981290169.db2.gz LMPGOVJCKOBVFE-WTANOLMUSA-N 1 0 405.340 3.970 20 30 HHEDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436344053 981313132 /nfs/dbraw/zinc/31/31/32/981313132.db2.gz KIPQUHWUPLNAEQ-OALUTQOASA-N 1 0 420.557 3.773 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436387357 981341964 /nfs/dbraw/zinc/34/19/64/981341964.db2.gz KMJPGWNCEFAQQS-KRWDZBQOSA-N 1 0 408.481 3.688 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(F)cc3c2[nH]c2c(F)cccc2c3=O)CC1 ZINC000436415818 981357321 /nfs/dbraw/zinc/35/73/21/981357321.db2.gz BNBGCKSYMFNOHP-UHFFFAOYSA-N 1 0 411.452 3.730 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000448199528 981611801 /nfs/dbraw/zinc/61/18/01/981611801.db2.gz VPVLMFLOALHUPI-GHTZIAJQSA-N 1 0 405.498 3.819 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000448325718 981701165 /nfs/dbraw/zinc/70/11/65/981701165.db2.gz RVHRAICCVUBHQS-OAQYLSRUSA-N 1 0 420.513 3.526 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000448327167 981701697 /nfs/dbraw/zinc/70/16/97/981701697.db2.gz HJEUWFOHIZCMNU-NRFANRHFSA-N 1 0 420.513 3.526 20 30 HHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000448328165 981702130 /nfs/dbraw/zinc/70/21/30/981702130.db2.gz PEDSNUMVRKIMJT-NRFANRHFSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437080563 981750979 /nfs/dbraw/zinc/75/09/79/981750979.db2.gz VNVLQMPJAAHZPS-XRTORIHISA-N 1 0 423.473 3.558 20 30 HHEDRO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)s1 ZINC000437087439 981755082 /nfs/dbraw/zinc/75/50/82/981755082.db2.gz ODYYSDOIIVTFDB-RWBZWWBESA-N 1 0 400.548 3.948 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448403165 981756930 /nfs/dbraw/zinc/75/69/30/981756930.db2.gz WTYYNHINSOKKBR-REWPJTCUSA-N 1 0 422.573 3.981 20 30 HHEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437092268 981757285 /nfs/dbraw/zinc/75/72/85/981757285.db2.gz LMJJBMOYKXNROF-IPJUCJBFSA-N 1 0 408.502 3.659 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460211566 981986488 /nfs/dbraw/zinc/98/64/88/981986488.db2.gz NKULBVDTHCYPSH-OALUTQOASA-N 1 0 400.530 3.936 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460256658 982034046 /nfs/dbraw/zinc/03/40/46/982034046.db2.gz AGWBCUYXFYTNJS-LJQANCHMSA-N 1 0 400.530 3.937 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460272615 982048299 /nfs/dbraw/zinc/04/82/99/982048299.db2.gz ZQGMDVCAZHCCSY-OALUTQOASA-N 1 0 400.530 3.936 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460293014 982070003 /nfs/dbraw/zinc/07/00/03/982070003.db2.gz IPNRAIDBFPAYRG-UHFFFAOYSA-N 1 0 404.493 3.688 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000460358233 982132530 /nfs/dbraw/zinc/13/25/30/982132530.db2.gz LHCCTEWZWCNKDH-DTVZVWBHSA-N 1 0 410.949 3.896 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460374816 982152418 /nfs/dbraw/zinc/15/24/18/982152418.db2.gz IXVOGMNQCNKEMU-UHFFFAOYSA-N 1 0 421.387 3.922 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460377563 982155580 /nfs/dbraw/zinc/15/55/80/982155580.db2.gz UIOXEVRQKYQTNQ-UGKGYDQZSA-N 1 0 417.561 3.770 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460382246 982160993 /nfs/dbraw/zinc/16/09/93/982160993.db2.gz UNNISVXUHBZFEW-ROUUACIJSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC000460388281 982167636 /nfs/dbraw/zinc/16/76/36/982167636.db2.gz PVZCLONAJYNGJQ-GMAHTHKFSA-N 1 0 420.605 3.598 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2nc3ccccc3n2C)c(OC)c1 ZINC000437602002 982223655 /nfs/dbraw/zinc/22/36/55/982223655.db2.gz KIZRWNHDFZWMHG-SIKLNZKXSA-N 1 0 421.541 3.887 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)C[C@H](C)O1 ZINC000437650912 982269543 /nfs/dbraw/zinc/26/95/43/982269543.db2.gz CBUVPOKBJVRQBO-IRXDYDNUSA-N 1 0 407.505 3.871 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460580475 982364901 /nfs/dbraw/zinc/36/49/01/982364901.db2.gz WFSCKUQNFPIVQU-PBHICJAKSA-N 1 0 421.387 3.778 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000437872988 982426011 /nfs/dbraw/zinc/42/60/11/982426011.db2.gz FMSJKYUKSGPVHA-OAQYLSRUSA-N 1 0 420.557 3.978 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460734139 982490819 /nfs/dbraw/zinc/49/08/19/982490819.db2.gz SGVSXHXMJBDCIZ-JOCHJYFZSA-N 1 0 422.577 3.698 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460780794 982533483 /nfs/dbraw/zinc/53/34/83/982533483.db2.gz RTDGRNTXAMUWQO-NRFANRHFSA-N 1 0 402.546 3.935 20 30 HHEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460790457 982543273 /nfs/dbraw/zinc/54/32/73/982543273.db2.gz CSDYVTVWDBSNNZ-IBGZPJMESA-N 1 0 413.566 3.925 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000438074992 982572835 /nfs/dbraw/zinc/57/28/35/982572835.db2.gz NXDNTCTUPYMYOU-JKIUYZKVSA-N 1 0 424.495 4.000 20 30 HHEDRO CC(C)Cn1c(-c2ccoc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460862348 982606682 /nfs/dbraw/zinc/60/66/82/982606682.db2.gz UYSOXGBZCQRIPH-UHFFFAOYSA-N 1 0 404.518 3.778 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460881653 982620768 /nfs/dbraw/zinc/62/07/68/982620768.db2.gz ORARAOMBEPGBQJ-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460918152 982654192 /nfs/dbraw/zinc/65/41/92/982654192.db2.gz QMSJNXYEEHYGDU-UHFFFAOYSA-N 1 0 422.577 3.839 20 30 HHEDRO CCOc1ccc([C@@H]2C[C@H]2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000438337836 982731135 /nfs/dbraw/zinc/73/11/35/982731135.db2.gz HYAUKPQDPYZROG-XZOQPEGZSA-N 1 0 406.530 3.586 20 30 HHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000438468564 982819544 /nfs/dbraw/zinc/81/95/44/982819544.db2.gz SULLINNBZODXEH-UHFFFAOYSA-N 1 0 409.511 3.996 20 30 HHEDRO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000438818373 983091705 /nfs/dbraw/zinc/09/17/05/983091705.db2.gz IVHWZPQOBDZILW-JOCHJYFZSA-N 1 0 412.484 3.934 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000438851632 983118244 /nfs/dbraw/zinc/11/82/44/983118244.db2.gz ZARCHURTEJRILR-XMMPIXPASA-N 1 0 419.573 3.668 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H](CCC#N)c3ccccc3)CC2)c1 ZINC000438856156 983122212 /nfs/dbraw/zinc/12/22/12/983122212.db2.gz WCCUSNDZJBJPRK-XMMPIXPASA-N 1 0 419.573 3.851 20 30 HHEDRO COc1cc(OC)c2ncc(C#N)c(N3CCC[N@H+](Cc4ccccc4)CC3)c2c1 ZINC000439107853 983253089 /nfs/dbraw/zinc/25/30/89/983253089.db2.gz MLQOCBMYBZIHJF-UHFFFAOYSA-N 1 0 402.498 3.836 20 30 HHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000439210632 983312167 /nfs/dbraw/zinc/31/21/67/983312167.db2.gz GKWFDIWZRDXBGL-UHFFFAOYSA-N 1 0 409.477 3.892 20 30 HHEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C#N)cc2Cl)C(C)C)cc1 ZINC000439450718 983415807 /nfs/dbraw/zinc/41/58/07/983415807.db2.gz WUQGZKVEBQBHSD-HXUWFJFHSA-N 1 0 415.921 3.820 20 30 HHEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)CCOCC2)cc1 ZINC000439579316 983459319 /nfs/dbraw/zinc/45/93/19/983459319.db2.gz ZPKLABPGLWHRFF-HXUWFJFHSA-N 1 0 421.541 3.668 20 30 HHEDRO C[C@H]([NH2+]CC1(N2CCSCC2)CCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000439583960 983461285 /nfs/dbraw/zinc/46/12/85/983461285.db2.gz AFAOWSAEMJTERY-FQEVSTJZSA-N 1 0 414.619 3.663 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(Br)cc1Cl ZINC000439612936 983471131 /nfs/dbraw/zinc/47/11/31/983471131.db2.gz SRQQQMSXMDNTBT-UHFFFAOYSA-N 1 0 405.699 3.941 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cnn1-c1cccc(C#N)c1 ZINC000439676626 983496953 /nfs/dbraw/zinc/49/69/53/983496953.db2.gz WZAIAHFVTITTIE-WIYYLYMNSA-N 1 0 406.534 3.644 20 30 HHEDRO CCCc1c(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000439682746 983499285 /nfs/dbraw/zinc/49/92/85/983499285.db2.gz FOMLAVHRLKCKOI-LJQANCHMSA-N 1 0 408.550 3.796 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439731729 983518286 /nfs/dbraw/zinc/51/82/86/983518286.db2.gz KPVJLFFORJVELH-FDDCHVKYSA-N 1 0 406.530 3.698 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000439979703 983603678 /nfs/dbraw/zinc/60/36/78/983603678.db2.gz MOYUVZABGIVWMC-JAQSECSASA-N 1 0 416.591 3.742 20 30 HHEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000440040904 983622245 /nfs/dbraw/zinc/62/22/45/983622245.db2.gz XVJVWQBFLCMFHA-JXFKEZNVSA-N 1 0 424.932 3.662 20 30 HHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCCc1cccc(C#N)c1)C1CCCCC1 ZINC000440149339 983660691 /nfs/dbraw/zinc/66/06/91/983660691.db2.gz VCGBNIIHNWZFDN-UHFFFAOYSA-N 1 0 418.541 3.620 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(F)cc1Br ZINC000440793941 983908941 /nfs/dbraw/zinc/90/89/41/983908941.db2.gz XZQAHALVZSYNRG-UHFFFAOYSA-N 1 0 422.273 3.803 20 30 HHEDRO COc1cc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)ccc1C#N ZINC000440812511 983917530 /nfs/dbraw/zinc/91/75/30/983917530.db2.gz JYCKQYRAKCGSEP-INIZCTEOSA-N 1 0 400.320 3.945 20 30 HHEDRO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000441069236 984053821 /nfs/dbraw/zinc/05/38/21/984053821.db2.gz NVEWJTWYOKBJQG-CJFMBICVSA-N 1 0 400.526 3.721 20 30 HHEDRO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccccc21 ZINC000441143038 984088949 /nfs/dbraw/zinc/08/89/49/984088949.db2.gz USCIKZXKTHENOB-IBGZPJMESA-N 1 0 423.538 3.600 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000441394110 984228044 /nfs/dbraw/zinc/22/80/44/984228044.db2.gz NYGBVQKOWSUIPX-AUSIDOKSSA-N 1 0 423.605 3.979 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396167 984229254 /nfs/dbraw/zinc/22/92/54/984229254.db2.gz UDLKWAYNHSIEQF-UZLBHIALSA-N 1 0 412.603 3.776 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)c1 ZINC000441445577 984255421 /nfs/dbraw/zinc/25/54/21/984255421.db2.gz GLKOQNJFJNDTEA-RXVVDRJESA-N 1 0 401.551 3.597 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000441785249 984451725 /nfs/dbraw/zinc/45/17/25/984451725.db2.gz GAWJYGGEVSRHIA-HDICACEKSA-N 1 0 418.541 3.600 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1cccc(C)c1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000441993291 984583889 /nfs/dbraw/zinc/58/38/89/984583889.db2.gz FBOUQSFKARKZLI-GOSISDBHSA-N 1 0 406.530 3.831 20 30 HHEDRO C=CCC[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(C(F)(F)F)cc1 ZINC000442203666 984723892 /nfs/dbraw/zinc/72/38/92/984723892.db2.gz DDPROABGQNRNFZ-KRWDZBQOSA-N 1 0 409.456 4.293 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)[C@H](C)C1 ZINC000461838574 984844797 /nfs/dbraw/zinc/84/47/97/984844797.db2.gz ZPSVSHQRJVGLKM-QIJUGHKUSA-N 1 0 422.577 3.552 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)ccc2Oc2ccccc2)CC1 ZINC000442421264 984923942 /nfs/dbraw/zinc/92/39/42/984923942.db2.gz DRKOZEVXVRFYEB-UHFFFAOYSA-N 1 0 407.514 3.883 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000461937034 984941599 /nfs/dbraw/zinc/94/15/99/984941599.db2.gz SNKXWFIDOBCXFR-DNVCBOLYSA-N 1 0 419.957 3.615 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000442441900 984942866 /nfs/dbraw/zinc/94/28/66/984942866.db2.gz NCODYXPUYQBOER-UHFFFAOYSA-N 1 0 404.514 3.530 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000462059269 985032719 /nfs/dbraw/zinc/03/27/19/985032719.db2.gz MLTSEVSVYJMTRW-UHFFFAOYSA-N 1 0 404.967 3.523 20 30 HHEDRO CC[C@@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000462158282 985132742 /nfs/dbraw/zinc/13/27/42/985132742.db2.gz VPCQGSCZQMXECK-VWLOTQADSA-N 1 0 420.557 3.510 20 30 HHEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000442674441 985146924 /nfs/dbraw/zinc/14/69/24/985146924.db2.gz CGQKLYVQGNTNMT-HOTGVXAUSA-N 1 0 403.482 3.934 20 30 HHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCOc2cccc(C#N)c2)c2ccccc2)c1 ZINC000462181100 985161247 /nfs/dbraw/zinc/16/12/47/985161247.db2.gz JOJKHTHETPSXCB-QHCPKHFHSA-N 1 0 406.507 3.720 20 30 HHEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000442783685 985214636 /nfs/dbraw/zinc/21/46/36/985214636.db2.gz QOEUGVNHGVSUOZ-UHFFFAOYSA-N 1 0 410.461 3.962 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443130679 985395713 /nfs/dbraw/zinc/39/57/13/985395713.db2.gz NQXFKHXTMQGPKC-OXQOHEQNSA-N 1 0 417.962 3.885 20 30 HHEDRO C[C@@H](c1ccsc1)N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000462457426 985419541 /nfs/dbraw/zinc/41/95/41/985419541.db2.gz ZQHFYMOUXLFZEN-HNNXBMFYSA-N 1 0 402.951 3.981 20 30 HHEDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000462486093 985440686 /nfs/dbraw/zinc/44/06/86/985440686.db2.gz QAJATGVYUJIUIP-NRFANRHFSA-N 1 0 408.502 3.626 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1C ZINC000443361235 985523226 /nfs/dbraw/zinc/52/32/26/985523226.db2.gz MJEFEHDHVRQDIQ-PXNSSMCTSA-N 1 0 420.513 3.620 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443491138 985666183 /nfs/dbraw/zinc/66/61/83/985666183.db2.gz POBCSRSGXOROOP-MRXNPFEDSA-N 1 0 409.983 3.877 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443494077 985668467 /nfs/dbraw/zinc/66/84/67/985668467.db2.gz YOVDDZIWLIEEPG-MRXNPFEDSA-N 1 0 409.983 3.877 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2CNc2ccc(C(F)(F)F)c(C#N)n2)C[C@H](C)O1 ZINC000443511422 985682947 /nfs/dbraw/zinc/68/29/47/985682947.db2.gz SPSXZWRHRSLZKW-GJZGRUSLSA-N 1 0 404.436 4.193 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1cc(Br)cn1C)C(C)C ZINC000468037412 985694361 /nfs/dbraw/zinc/69/43/61/985694361.db2.gz IRYNKQYDIPODCQ-GOSISDBHSA-N 1 0 411.388 3.628 20 30 HHEDRO CC(C)(CCC#N)C[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000462832145 985754100 /nfs/dbraw/zinc/75/41/00/985754100.db2.gz KKUGHOBNVXEOSH-XMMPIXPASA-N 1 0 418.585 3.992 20 30 HHEDRO N#CCSc1ccccc1NC(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443591151 985766997 /nfs/dbraw/zinc/76/69/97/985766997.db2.gz OJDGKKIGPICSAW-UHFFFAOYSA-N 1 0 400.592 3.829 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443640045 985828336 /nfs/dbraw/zinc/82/83/36/985828336.db2.gz PYQRLWFCZYIYJO-BCHFMIIMSA-N 1 0 416.569 3.817 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000462926946 985861769 /nfs/dbraw/zinc/86/17/69/985861769.db2.gz FOUBGNVTFSRXIZ-UHFFFAOYSA-N 1 0 421.589 3.788 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000443673942 985881400 /nfs/dbraw/zinc/88/14/00/985881400.db2.gz IQVLZWIYRZZVRM-HOTGVXAUSA-N 1 0 414.468 3.889 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443675215 985884324 /nfs/dbraw/zinc/88/43/24/985884324.db2.gz QXRKDYWVSYFODA-KDURUIRLSA-N 1 0 406.530 3.921 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000468334890 986031117 /nfs/dbraw/zinc/03/11/17/986031117.db2.gz YLNUAPVYUJPEJR-CQSZACIVSA-N 1 0 410.356 3.858 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463118826 986083512 /nfs/dbraw/zinc/08/35/12/986083512.db2.gz FCUAEEDANXMQPM-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO C=CCc1cc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)cc(OC)c1O ZINC000468475499 986170230 /nfs/dbraw/zinc/17/02/30/986170230.db2.gz NBTOVBJWNMFMKY-SFHVURJKSA-N 1 0 419.319 3.550 20 30 HHEDRO Cc1cc(C[NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)ccc1C#N ZINC000443999131 986197991 /nfs/dbraw/zinc/19/79/91/986197991.db2.gz BELIJPNPXLORIN-UHFFFAOYSA-N 1 0 421.360 3.971 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1Cl ZINC000463439081 986415417 /nfs/dbraw/zinc/41/54/17/986415417.db2.gz YUWBFMBXRQSERD-QHCPKHFHSA-N 1 0 411.933 3.857 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463440866 986418627 /nfs/dbraw/zinc/41/86/27/986418627.db2.gz GOHKYIVDFUWUMW-AREMUKBSSA-N 1 0 419.569 3.867 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1C ZINC000463443887 986423398 /nfs/dbraw/zinc/42/33/98/986423398.db2.gz YJFKZTJVYZWVRE-SANMLTNESA-N 1 0 419.569 3.867 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@](CO)(Cc3ccccc3)C1)CCC2 ZINC000463457385 986437783 /nfs/dbraw/zinc/43/77/83/986437783.db2.gz VJHQBSKNPRSMPB-XMMPIXPASA-N 1 0 423.582 3.754 20 30 HHEDRO Cc1c(Br)cccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463485333 986460604 /nfs/dbraw/zinc/46/06/04/986460604.db2.gz SRYWMQGRXHOAII-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000463528755 986505147 /nfs/dbraw/zinc/50/51/47/986505147.db2.gz RBXUMAKBRFVYKD-NRFANRHFSA-N 1 0 410.514 3.836 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468825787 986535118 /nfs/dbraw/zinc/53/51/18/986535118.db2.gz DZCLGAYJEDCWLV-FQEVSTJZSA-N 1 0 417.340 3.735 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000444382395 986557799 /nfs/dbraw/zinc/55/77/99/986557799.db2.gz LNDBYLQNFOOPFA-UHFFFAOYSA-N 1 0 418.501 3.510 20 30 HHEDRO C[N@H+](CCOc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c1)C1CCOCC1 ZINC000463649054 986627175 /nfs/dbraw/zinc/62/71/75/986627175.db2.gz YLFSEQQGIYWWQH-UHFFFAOYSA-N 1 0 410.474 3.568 20 30 HHEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000468949965 986654279 /nfs/dbraw/zinc/65/42/79/986654279.db2.gz LVPYDWOXUNDTBJ-FQEVSTJZSA-N 1 0 416.447 3.599 20 30 HHEDRO N#CC(CCN1CC[NH+](CC2CCOCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000444644991 986830325 /nfs/dbraw/zinc/83/03/25/986830325.db2.gz YVVFNCWWCLKQOX-UHFFFAOYSA-N 1 0 403.570 3.931 20 30 HHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469170240 986894239 /nfs/dbraw/zinc/89/42/39/986894239.db2.gz RYCIJPBIYLIIEE-UHFFFAOYSA-N 1 0 401.470 3.597 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000469183399 986907649 /nfs/dbraw/zinc/90/76/49/986907649.db2.gz WLIWPWWUYFQNRG-FQEVSTJZSA-N 1 0 417.340 3.735 20 30 HHEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000444774038 986932372 /nfs/dbraw/zinc/93/23/72/986932372.db2.gz HGASRTIWLREEGI-OAQYLSRUSA-N 1 0 403.548 3.635 20 30 HHEDRO CCN(C(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000469231100 986952155 /nfs/dbraw/zinc/95/21/55/986952155.db2.gz SIVYBQFGXFCOEG-OAQYLSRUSA-N 1 0 400.482 3.950 20 30 HHEDRO COc1ccc(C2([NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)CCOCC2)cc1F ZINC000444814475 986967849 /nfs/dbraw/zinc/96/78/49/986967849.db2.gz PCCAABUGNFUTQH-UHFFFAOYSA-N 1 0 417.868 3.593 20 30 HHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000444815827 986969933 /nfs/dbraw/zinc/96/99/33/986969933.db2.gz HIODCTDBACKMAL-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000444823627 986979009 /nfs/dbraw/zinc/97/90/09/986979009.db2.gz QSXHIMHLFQFHLX-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000444824690 986980160 /nfs/dbraw/zinc/98/01/60/986980160.db2.gz AEFISURPXZLDEE-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000469472749 987157199 /nfs/dbraw/zinc/15/71/99/987157199.db2.gz PSVFAVXRTHOPPO-QFIPXVFZSA-N 1 0 408.546 3.881 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCC(=O)N(CCC#N)c1ccccc1 ZINC000469758582 987411844 /nfs/dbraw/zinc/41/18/44/987411844.db2.gz RWKYTRCHDDCSAU-SFTDATJTSA-N 1 0 404.558 3.679 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000469769274 987421433 /nfs/dbraw/zinc/42/14/33/987421433.db2.gz ONGRWYTZWBEBDE-OAHLLOKOSA-N 1 0 409.452 3.747 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1 ZINC000469938191 987562781 /nfs/dbraw/zinc/56/27/81/987562781.db2.gz IQWQZGWKNARHNJ-NRFANRHFSA-N 1 0 405.546 3.959 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21)c1ccccc1 ZINC000445808522 987868581 /nfs/dbraw/zinc/86/85/81/987868581.db2.gz BBSGGKBBXTWIBW-QFIPXVFZSA-N 1 0 416.525 3.725 20 30 HHEDRO CCOC(=O)[C@@](C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000470150016 988058584 /nfs/dbraw/zinc/05/85/84/988058584.db2.gz FXFYRGORKDDDEV-VWLOTQADSA-N 1 0 405.542 3.633 20 30 HHEDRO CCN(CCC[NH+](C)C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000470629704 988643270 /nfs/dbraw/zinc/64/32/70/988643270.db2.gz XXOIYASDABDBEM-UHFFFAOYSA-N 1 0 404.565 3.508 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)ccc21 ZINC000470779075 988830657 /nfs/dbraw/zinc/83/06/57/988830657.db2.gz KUSONZXEGCMDQL-QHCPKHFHSA-N 1 0 416.525 3.873 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000464770942 988995097 /nfs/dbraw/zinc/99/50/97/988995097.db2.gz FKBIIXPGHBOLGM-JOCHJYFZSA-N 1 0 421.589 3.627 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000464826885 989064966 /nfs/dbraw/zinc/06/49/66/989064966.db2.gz GDWPIMGQASKVEN-BJKOFHAPSA-N 1 0 420.532 3.636 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464834720 989077362 /nfs/dbraw/zinc/07/73/62/989077362.db2.gz SYKNHULZOPXERQ-PKOBYXMFSA-N 1 0 410.949 3.993 20 30 HHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000464853936 989106615 /nfs/dbraw/zinc/10/66/15/989106615.db2.gz FYVYFQRIAQDJRA-MRXNPFEDSA-N 1 0 419.451 3.737 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000471047827 989126675 /nfs/dbraw/zinc/12/66/75/989126675.db2.gz MHIPLWNVPOIASF-XZOQPEGZSA-N 1 0 418.541 3.765 20 30 HHEDRO CCC[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000471095542 989192359 /nfs/dbraw/zinc/19/23/59/989192359.db2.gz NKVGTSVKGGVSJG-ZEQRLZLVSA-N 1 0 400.526 3.754 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000464972551 989273109 /nfs/dbraw/zinc/27/31/09/989273109.db2.gz MRJUOTKVOAZQPV-UHFFFAOYSA-N 1 0 407.514 3.842 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000471289396 989447290 /nfs/dbraw/zinc/44/72/90/989447290.db2.gz WIIBCPAVLORGMN-HXUWFJFHSA-N 1 0 408.571 3.609 20 30 HHEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000465150206 989480613 /nfs/dbraw/zinc/48/06/13/989480613.db2.gz VBOLHRPHQXLURI-UHFFFAOYSA-N 1 0 413.481 3.715 20 30 HHEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465158933 989489163 /nfs/dbraw/zinc/48/91/63/989489163.db2.gz YGOAUFQNNHWWIA-LJQANCHMSA-N 1 0 419.529 3.910 20 30 HHEDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000471654817 989858702 /nfs/dbraw/zinc/85/87/02/989858702.db2.gz SQMWCVBPOIDCDT-IBGZPJMESA-N 1 0 400.910 3.695 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000465558937 989924537 /nfs/dbraw/zinc/92/45/37/989924537.db2.gz VMOZUUCQKGPBAW-PKTZIBPZSA-N 1 0 406.530 3.608 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000471800130 989984208 /nfs/dbraw/zinc/98/42/08/989984208.db2.gz UGUQDGPANWXTQV-GGAORHGYSA-N 1 0 416.525 3.593 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000465627363 990012235 /nfs/dbraw/zinc/01/22/35/990012235.db2.gz JHIITYWCQGMOGH-UHFFFAOYSA-N 1 0 412.921 3.554 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471903430 990072863 /nfs/dbraw/zinc/07/28/63/990072863.db2.gz SKGMNBTVBUZSMA-UHFFFAOYSA-N 1 0 422.920 3.993 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471965601 990131241 /nfs/dbraw/zinc/13/12/41/990131241.db2.gz FCLJWZUBKSUDEP-FQEVSTJZSA-N 1 0 415.459 3.878 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000471970022 990135239 /nfs/dbraw/zinc/13/52/39/990135239.db2.gz VZFZHBKUTOARGO-DEOSSOPVSA-N 1 0 400.526 3.933 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)C2)n1 ZINC000471971878 990136871 /nfs/dbraw/zinc/13/68/71/990136871.db2.gz XIIUTLAITNNQQV-HSZRJFAPSA-N 1 0 419.573 3.635 20 30 HHEDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000466074975 991248731 /nfs/dbraw/zinc/24/87/31/991248731.db2.gz WPMJDOLXPFFOGU-UHFFFAOYSA-N 1 0 417.435 3.651 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C(=O)OC)s1 ZINC000466154798 991340553 /nfs/dbraw/zinc/34/05/53/991340553.db2.gz RXGIKLZXEYZUKQ-UHFFFAOYSA-N 1 0 406.577 3.633 20 30 HHEDRO COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466155431 991341707 /nfs/dbraw/zinc/34/17/07/991341707.db2.gz WEQLMCHGUFLTAF-QGZVFWFLSA-N 1 0 410.493 3.684 20 30 HHEDRO C[C@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)Oc1cccc(Cl)c1 ZINC000466174564 991366696 /nfs/dbraw/zinc/36/66/96/991366696.db2.gz BSQFSPXWDFUTKW-QGZVFWFLSA-N 1 0 412.921 3.506 20 30 HHEDRO Cc1ccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000466256836 991501091 /nfs/dbraw/zinc/50/10/91/991501091.db2.gz QSGHRHDFGQPOEA-QHCPKHFHSA-N 1 0 422.529 3.799 20 30 HHEDRO C[C@H](NC(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466620215 991936030 /nfs/dbraw/zinc/93/60/30/991936030.db2.gz SYXZBIIBTRKYPW-ICSRJNTNSA-N 1 0 407.518 3.796 20 30 HHEDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000466679500 991994031 /nfs/dbraw/zinc/99/40/31/991994031.db2.gz KAFYHMCXZRJCCM-MRXNPFEDSA-N 1 0 424.570 3.766 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466932806 992244650 /nfs/dbraw/zinc/24/46/50/992244650.db2.gz CXORULRFKSOXKC-ACJLOTCBSA-N 1 0 410.331 3.769 20 30 HHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000467296245 992622159 /nfs/dbraw/zinc/62/21/59/992622159.db2.gz AUIPDKAPMPPTRL-GOSISDBHSA-N 1 0 412.509 3.792 20 30 HHEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000467439515 992735748 /nfs/dbraw/zinc/73/57/48/992735748.db2.gz VVHJLEFXNLNKSR-QGZVFWFLSA-N 1 0 409.511 3.523 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000467703761 992959309 /nfs/dbraw/zinc/95/93/09/992959309.db2.gz YKKZBWLPLFWTOZ-UHFFFAOYSA-N 1 0 420.557 3.836 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)C2)n1 ZINC000472158236 993208834 /nfs/dbraw/zinc/20/88/34/993208834.db2.gz QJCWUYQJBBHLTJ-GIWBLDEGSA-N 1 0 423.605 3.591 20 30 HHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCS1 ZINC000472249223 993276093 /nfs/dbraw/zinc/27/60/93/993276093.db2.gz HTYNLKPAQQYVDL-SFHVURJKSA-N 1 0 400.548 3.774 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000472440166 993443394 /nfs/dbraw/zinc/44/33/94/993443394.db2.gz WNBGAOAHAVPQPP-MOPGFXCFSA-N 1 0 408.546 3.754 20 30 HHEDRO N#CC(CC[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000472579664 993545125 /nfs/dbraw/zinc/54/51/25/993545125.db2.gz JQPDNRSYSRFPHF-XMMPIXPASA-N 1 0 417.553 3.600 20 30 HHEDRO Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000480745732 993612623 /nfs/dbraw/zinc/61/26/23/993612623.db2.gz WXKMNNNABJVLIV-JOCHJYFZSA-N 1 0 404.514 3.526 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480839375 993713875 /nfs/dbraw/zinc/71/38/75/993713875.db2.gz DVUPEJXHYAEYMD-VXKWHMMOSA-N 1 0 409.555 3.542 20 30 HHEDRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)CC1 ZINC000472848873 993782386 /nfs/dbraw/zinc/78/23/86/993782386.db2.gz LAOWSIWRORWPEV-UHFFFAOYSA-N 1 0 416.569 3.578 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000481010530 993853393 /nfs/dbraw/zinc/85/33/93/993853393.db2.gz JEMHYYDJFGDGJG-UHFFFAOYSA-N 1 0 415.509 3.663 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)C1 ZINC000481013424 993855745 /nfs/dbraw/zinc/85/57/45/993855745.db2.gz LRDZOQQFQVURLR-QGZVFWFLSA-N 1 0 415.534 3.549 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)c1cccs1 ZINC000473111134 994009534 /nfs/dbraw/zinc/00/95/34/994009534.db2.gz YFIMJWMOXZSZMA-OAQYLSRUSA-N 1 0 417.534 3.506 20 30 HHEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000481189112 994021138 /nfs/dbraw/zinc/02/11/38/994021138.db2.gz JRNTYXNGUROMBB-LQWHRVPQSA-N 1 0 412.578 3.914 20 30 HHEDRO C=C(C)CN(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000481214105 994046957 /nfs/dbraw/zinc/04/69/57/994046957.db2.gz UECUIHOQXMMISA-SFHVURJKSA-N 1 0 413.543 3.951 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000481263921 994083248 /nfs/dbraw/zinc/08/32/48/994083248.db2.gz YPQXMXTXAWPZEI-HNNXBMFYSA-N 1 0 400.914 3.783 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000481280168 994096369 /nfs/dbraw/zinc/09/63/69/994096369.db2.gz VXSVUTSUBCAKMJ-HNNXBMFYSA-N 1 0 400.914 3.783 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000481484612 994317575 /nfs/dbraw/zinc/31/75/75/994317575.db2.gz LDEFCFIJWSYWBW-UWJYYQICSA-N 1 0 412.509 3.526 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000473549349 994411821 /nfs/dbraw/zinc/41/18/21/994411821.db2.gz HGRBNWNEEPAVNU-UHFFFAOYSA-N 1 0 410.562 3.627 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(F)c(C#N)c2)cc1OC ZINC000481575874 994414133 /nfs/dbraw/zinc/41/41/33/994414133.db2.gz SCZMQLXTDXLNIU-UHFFFAOYSA-N 1 0 414.481 3.748 20 30 HHEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Br ZINC000473597905 994477708 /nfs/dbraw/zinc/47/77/08/994477708.db2.gz NQTPSIPPNDHJRH-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000473654839 994540439 /nfs/dbraw/zinc/54/04/39/994540439.db2.gz URBVXUIHDIZGSM-IBGZPJMESA-N 1 0 421.545 3.807 20 30 HHEDRO N#CC1(NC(=O)c2ccc(-c3cncnc3)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000481703920 994564984 /nfs/dbraw/zinc/56/49/84/994564984.db2.gz MDKDAUQOAZLTDS-UHFFFAOYSA-N 1 0 415.472 3.571 20 30 HHEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CCCCC1 ZINC000481735280 994592223 /nfs/dbraw/zinc/59/22/23/994592223.db2.gz ICTLLSAOZVFLGD-GOSISDBHSA-N 1 0 408.315 3.972 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)c1 ZINC000481736355 994593219 /nfs/dbraw/zinc/59/32/19/994593219.db2.gz NNHXMOLNVGUUEL-HXUWFJFHSA-N 1 0 416.294 3.817 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(I)cc(C)c2C)CC1 ZINC000481793258 994641351 /nfs/dbraw/zinc/64/13/51/994641351.db2.gz GYUFMBBTUKLDCJ-UHFFFAOYSA-N 1 0 412.315 3.678 20 30 HHEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000481834861 994686864 /nfs/dbraw/zinc/68/68/64/994686864.db2.gz CAQDAOOPHORUMS-LJQANCHMSA-N 1 0 414.347 3.890 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473820952 994749723 /nfs/dbraw/zinc/74/97/23/994749723.db2.gz QGAUACYAALGCML-UHFFFAOYSA-N 1 0 403.530 3.920 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(I)ccc2C)CC1 ZINC000481978859 994873245 /nfs/dbraw/zinc/87/32/45/994873245.db2.gz RSDCTVDLUYZEJU-UHFFFAOYSA-N 1 0 413.303 3.762 20 30 HHEDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473986341 994973260 /nfs/dbraw/zinc/97/32/60/994973260.db2.gz JLADEGWFUOTEQU-YADHBBJMSA-N 1 0 417.513 3.901 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(Br)cn1)C(C)C ZINC000474056894 995046071 /nfs/dbraw/zinc/04/60/71/995046071.db2.gz LNFDKDFLUMBYAU-YJBOKZPZSA-N 1 0 409.372 3.903 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000474095174 995076994 /nfs/dbraw/zinc/07/69/94/995076994.db2.gz JHFUGNVFRWWOQX-UHFFFAOYSA-N 1 0 406.530 3.812 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2I)CC1 ZINC000474145137 995125256 /nfs/dbraw/zinc/12/52/56/995125256.db2.gz OSDGBFGMWJRDMN-UHFFFAOYSA-N 1 0 419.694 3.717 20 30 HHEDRO CCCc1c(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482512443 995522966 /nfs/dbraw/zinc/52/29/66/995522966.db2.gz RNGUGESUAVVSDY-FXAWDEMLSA-N 1 0 406.534 3.787 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000474575536 995537037 /nfs/dbraw/zinc/53/70/37/995537037.db2.gz MPBVUHLSQDEZMC-FZKQIMNGSA-N 1 0 411.449 3.547 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474578237 995539772 /nfs/dbraw/zinc/53/97/72/995539772.db2.gz LEQZPUBEUNJWPC-ACJLOTCBSA-N 1 0 411.449 3.547 20 30 HHEDRO CCN(c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1)C(C)C ZINC000482576904 995580672 /nfs/dbraw/zinc/58/06/72/995580672.db2.gz KMVYZNULGNDVFN-UHFFFAOYSA-N 1 0 405.546 3.604 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000482612563 995610058 /nfs/dbraw/zinc/61/00/58/995610058.db2.gz WLGGZCOIJOCQIY-NFBKMPQASA-N 1 0 406.505 3.893 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000482616568 995612799 /nfs/dbraw/zinc/61/27/99/995612799.db2.gz VCKWOAIXOCNAKV-UPVQGACJSA-N 1 0 418.541 3.633 20 30 HHEDRO CCOc1ccc2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000482707528 995695610 /nfs/dbraw/zinc/69/56/10/995695610.db2.gz KXPSUDHDRPNOJQ-UHFFFAOYSA-N 1 0 402.498 3.855 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000474784763 995709390 /nfs/dbraw/zinc/70/93/90/995709390.db2.gz SYPQGLMFZIMRBQ-UHFFFAOYSA-N 1 0 404.558 3.738 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482779219 995743223 /nfs/dbraw/zinc/74/32/23/995743223.db2.gz VJWOQEWTKDHHPE-GOTSBHOMSA-N 1 0 419.525 3.818 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000474888060 995780054 /nfs/dbraw/zinc/78/00/54/995780054.db2.gz BYGMMEDEUKXWPR-UHFFFAOYSA-N 1 0 421.541 3.756 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1Cl ZINC000482892387 995822716 /nfs/dbraw/zinc/82/27/16/995822716.db2.gz GBTSTOJNLPDCBX-KRWDZBQOSA-N 1 0 424.932 3.682 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475046088 995889909 /nfs/dbraw/zinc/88/99/09/995889909.db2.gz JVFQGYXATYEANW-UHFFFAOYSA-N 1 0 400.592 3.888 20 30 HHEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC[C@H]21 ZINC000482974578 995893479 /nfs/dbraw/zinc/89/34/79/995893479.db2.gz BFYNBOGDRSJGTE-SIKLNZKXSA-N 1 0 417.513 3.759 20 30 HHEDRO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)cc1Cl ZINC000475091543 995916665 /nfs/dbraw/zinc/91/66/65/995916665.db2.gz CIQFWVUVIUEAOI-HKUYNNGSSA-N 1 0 406.933 3.683 20 30 HHEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000483226034 996047263 /nfs/dbraw/zinc/04/72/63/996047263.db2.gz GHDOEVJDIFFINS-GOSISDBHSA-N 1 0 414.481 3.968 20 30 HHEDRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnn(C)c1C#N)[NH+](C)C ZINC000475374714 996098468 /nfs/dbraw/zinc/09/84/68/996098468.db2.gz ZIISEVWYYQGGDI-LJQANCHMSA-N 1 0 422.360 3.827 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)c2)cc1 ZINC000475453219 996149931 /nfs/dbraw/zinc/14/99/31/996149931.db2.gz XENJUZSYULGQLC-HSZRJFAPSA-N 1 0 405.498 3.677 20 30 HHEDRO CS[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483398588 996151511 /nfs/dbraw/zinc/15/15/11/996151511.db2.gz ANMFRGPDGUBUIA-GOTSBHOMSA-N 1 0 421.566 3.789 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000483406821 996157448 /nfs/dbraw/zinc/15/74/48/996157448.db2.gz MOAKVCAXBOYFBD-AEFFLSMTSA-N 1 0 414.493 3.922 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475571249 996224303 /nfs/dbraw/zinc/22/43/03/996224303.db2.gz KVPNVFVSHXMIQD-LJQANCHMSA-N 1 0 403.592 3.812 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475573400 996226171 /nfs/dbraw/zinc/22/61/71/996226171.db2.gz SHCXKIHUGQOASS-IBGZPJMESA-N 1 0 403.592 3.954 20 30 HHEDRO Cn1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1C#N ZINC000475620603 996253877 /nfs/dbraw/zinc/25/38/77/996253877.db2.gz CGXPBJQDCWIWTQ-OAHLLOKOSA-N 1 0 402.214 3.501 20 30 HHEDRO Cc1ccc(-n2cccn2)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000475634080 996265394 /nfs/dbraw/zinc/26/53/94/996265394.db2.gz ZKULRMSMQWTQPJ-UHFFFAOYSA-N 1 0 402.502 3.648 20 30 HHEDRO C[C@@H]1[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000475807933 996383720 /nfs/dbraw/zinc/38/37/20/996383720.db2.gz CSOKJNCKTCPNHA-OFNKIYASSA-N 1 0 402.542 3.576 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483790960 996390012 /nfs/dbraw/zinc/39/00/12/996390012.db2.gz XGCIVGXPGUWPOX-UHFFFAOYSA-N 1 0 402.564 3.830 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000476048948 996566668 /nfs/dbraw/zinc/56/66/68/996566668.db2.gz IFJXPJPJKYJNIH-APWZRJJASA-N 1 0 402.420 3.785 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1-c1ccccc1Cl ZINC000484119946 996580921 /nfs/dbraw/zinc/58/09/21/996580921.db2.gz VFUGLRHBIHSORO-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000484299028 996687660 /nfs/dbraw/zinc/68/76/60/996687660.db2.gz ZDZZAQYJQOFWNE-QGZVFWFLSA-N 1 0 410.518 3.514 20 30 HHEDRO N#CCc1ccc(Oc2ccc(C(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2)cc1 ZINC000476390879 996839943 /nfs/dbraw/zinc/83/99/43/996839943.db2.gz JEOJBEFDYHFQHV-NRFANRHFSA-N 1 0 407.514 3.512 20 30 HHEDRO C=CC[N@@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)CC1CCCCC1 ZINC000484542772 996875656 /nfs/dbraw/zinc/87/56/56/996875656.db2.gz LVLMPRLQFYPHOT-UHFFFAOYSA-N 1 0 403.611 3.742 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1C#N ZINC000484612313 996943832 /nfs/dbraw/zinc/94/38/32/996943832.db2.gz GAEVUNIDYOFFPA-LEWJYISDSA-N 1 0 420.517 3.526 20 30 HHEDRO CS[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1[NH+]1CCCC1 ZINC000484616791 996950114 /nfs/dbraw/zinc/95/01/14/996950114.db2.gz NEDZNAZOGGMNNQ-XKGZKEIXSA-N 1 0 418.632 3.531 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000484619646 996952788 /nfs/dbraw/zinc/95/27/88/996952788.db2.gz MCVPUYAVRVZXFH-BHDDXSALSA-N 1 0 422.598 3.773 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccc(F)c1 ZINC000476538840 997029254 /nfs/dbraw/zinc/02/92/54/997029254.db2.gz OBEAAUPXGDWPAE-HRTMPFAESA-N 1 0 424.520 3.989 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccc(F)c1 ZINC000476538843 997029414 /nfs/dbraw/zinc/02/94/14/997029414.db2.gz OBEAAUPXGDWPAE-LZBANZJXSA-N 1 0 424.520 3.989 20 30 HHEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476713165 997256231 /nfs/dbraw/zinc/25/62/31/997256231.db2.gz PBJSSDOOQHBIGP-DHIRWMJTSA-N 1 0 412.578 3.914 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CC[C@H](C)C1 ZINC000484895947 997264334 /nfs/dbraw/zinc/26/43/34/997264334.db2.gz RDXVIKTWWCZYJG-LPHOPBHVSA-N 1 0 412.534 3.693 20 30 HHEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000485038316 997403274 /nfs/dbraw/zinc/40/32/74/997403274.db2.gz ZJQBZGPLLICKEB-PKOBYXMFSA-N 1 0 422.554 3.862 20 30 HHEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485306380 997714455 /nfs/dbraw/zinc/71/44/55/997714455.db2.gz VJEKNOKGZILNHJ-OAQYLSRUSA-N 1 0 405.498 3.799 20 30 HHEDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076876 997728961 /nfs/dbraw/zinc/72/89/61/997728961.db2.gz POYMVKJXRIYFRM-LOKFHWFJSA-N 1 0 403.935 3.971 20 30 HHEDRO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477151621 997811867 /nfs/dbraw/zinc/81/18/67/997811867.db2.gz NTOXSWVGULPOFA-NRFANRHFSA-N 1 0 424.497 3.507 20 30 HHEDRO C[C@@H]1C[C@@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000485412410 997845240 /nfs/dbraw/zinc/84/52/40/997845240.db2.gz ZLOAUQCODRVWBU-UCFCWBNQSA-N 1 0 402.542 3.696 20 30 HHEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](CCCOc3cccc(C#N)c3)CC2)cs1 ZINC000477274304 997952122 /nfs/dbraw/zinc/95/21/22/997952122.db2.gz YBLLRCUHQVNRGQ-SFHVURJKSA-N 1 0 414.575 3.699 20 30 HHEDRO C=C(C)[C@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccc(F)c(F)c1 ZINC000477665653 998378633 /nfs/dbraw/zinc/37/86/33/998378633.db2.gz SZQJHXVAACFWTK-FQEVSTJZSA-N 1 0 401.457 3.707 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477723444 998451017 /nfs/dbraw/zinc/45/10/17/998451017.db2.gz IYOAHTKUNHNWOL-CQSZACIVSA-N 1 0 416.875 3.746 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1)CC(F)(F)F ZINC000477738841 998475689 /nfs/dbraw/zinc/47/56/89/998475689.db2.gz AWAZXIYKEPJMNB-LJQANCHMSA-N 1 0 424.511 3.756 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000477747447 998490047 /nfs/dbraw/zinc/49/00/47/998490047.db2.gz PKJMRBFHXDTKIZ-XMMPIXPASA-N 1 0 421.541 3.805 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000486233648 998665564 /nfs/dbraw/zinc/66/55/64/998665564.db2.gz PYFGKLMASJDFQA-GOSISDBHSA-N 1 0 400.592 3.970 20 30 HHEDRO C=CCOc1ccccc1CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000486263417 998683535 /nfs/dbraw/zinc/68/35/35/998683535.db2.gz ZVOOHUDWHAVOMS-WIYYLYMNSA-N 1 0 422.525 3.754 20 30 HHEDRO C[NH+](C)CCOc1cc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)ccn1 ZINC000478042158 998730530 /nfs/dbraw/zinc/73/05/30/998730530.db2.gz RKEJPZDUCRQMSD-UHFFFAOYSA-N 1 0 416.481 3.725 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)CC[NH+](C)C ZINC000486395674 998745679 /nfs/dbraw/zinc/74/56/79/998745679.db2.gz UOYXBFDUGQCFTO-UHFFFAOYSA-N 1 0 400.548 3.659 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000486502677 998796988 /nfs/dbraw/zinc/79/69/88/998796988.db2.gz GXYZQGIJMNZCJL-UHFFFAOYSA-N 1 0 420.513 3.898 20 30 HHEDRO Cn1cc(C[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000478170606 998799827 /nfs/dbraw/zinc/79/98/27/998799827.db2.gz FYEMGYYVDSWVOF-MRXNPFEDSA-N 1 0 412.896 3.692 20 30 HHEDRO Cn1cc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478191870 998814098 /nfs/dbraw/zinc/81/40/98/998814098.db2.gz AYMSLQPYXMXSGH-IBGZPJMESA-N 1 0 423.467 3.929 20 30 HHEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478272910 998857019 /nfs/dbraw/zinc/85/70/19/998857019.db2.gz IQUNZOPYTJBUMN-OAQYLSRUSA-N 1 0 414.488 3.728 20 30 HHEDRO Cn1cc(C[NH2+]Cc2ccc(COC3CCOCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000478300249 998873391 /nfs/dbraw/zinc/87/33/91/998873391.db2.gz FUOWCVBGRGHWOP-UHFFFAOYSA-N 1 0 416.525 3.944 20 30 HHEDRO Cc1cc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000478332698 998894616 /nfs/dbraw/zinc/89/46/16/998894616.db2.gz DFTBKWDRTURRCV-DEOSSOPVSA-N 1 0 413.525 3.693 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C(=O)OC)c2C)CC1 ZINC000486761682 998928723 /nfs/dbraw/zinc/92/87/23/998928723.db2.gz LLAVBHRGZWIKRW-UHFFFAOYSA-N 1 0 424.339 3.706 20 30 HHEDRO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1OCc1cccc(C#N)c1 ZINC000486791659 998941798 /nfs/dbraw/zinc/94/17/98/998941798.db2.gz OJLWJVCMQOZKQK-NFBKMPQASA-N 1 0 410.539 3.852 20 30 HHEDRO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486821057 998955407 /nfs/dbraw/zinc/95/54/07/998955407.db2.gz FZSVMUSGRGWTBA-IIBYNOLFSA-N 1 0 406.877 3.605 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Cl)c(Br)c3)C2=O)cc1 ZINC000486901118 998998162 /nfs/dbraw/zinc/99/81/62/998998162.db2.gz UFHPUQBBAAGBPI-SFHVURJKSA-N 1 0 418.722 3.865 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(C)n(C)c2=O)cc1OCC ZINC000487182523 999090255 /nfs/dbraw/zinc/09/02/55/999090255.db2.gz BGQZHPDHOWGQNC-UHFFFAOYSA-N 1 0 421.335 3.710 20 30 HHEDRO Cc1c(Br)cccc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000478703668 999097106 /nfs/dbraw/zinc/09/71/06/999097106.db2.gz MMVUITLSWNIFHT-UHFFFAOYSA-N 1 0 414.347 3.762 20 30 HHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H](C)O1 ZINC000478865379 999183040 /nfs/dbraw/zinc/18/30/40/999183040.db2.gz BVCSHDXFJWXONF-RTBURBONSA-N 1 0 407.514 3.970 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(Cl)cc1 ZINC000478984140 999234221 /nfs/dbraw/zinc/23/42/21/999234221.db2.gz JWNVQLCKOXXPAM-SFHVURJKSA-N 1 0 402.930 3.963 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1Oc1ccccc1C#N ZINC000479180537 999313161 /nfs/dbraw/zinc/31/31/61/999313161.db2.gz AHTGGLUNPZHMLZ-QMHWCDLVSA-N 1 0 405.498 3.674 20 30 HHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000487932016 999319715 /nfs/dbraw/zinc/31/97/15/999319715.db2.gz GFOGDKXYBYTNAF-KBXCAEBGSA-N 1 0 403.324 3.801 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000479197910 999322271 /nfs/dbraw/zinc/32/22/71/999322271.db2.gz ZGNVSTZAXDYZRQ-YADHBBJMSA-N 1 0 419.525 3.848 20 30 HHEDRO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479213747 999328800 /nfs/dbraw/zinc/32/88/00/999328800.db2.gz JHKBUDWQFGQRIR-MRXNPFEDSA-N 1 0 415.896 3.921 20 30 HHEDRO Cc1noc2nc(C3CC3)cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c12 ZINC000479255038 999349427 /nfs/dbraw/zinc/34/94/27/999349427.db2.gz XFTNCEJNROLKGY-UHFFFAOYSA-N 1 0 415.497 3.697 20 30 HHEDRO CCn1cc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000479284004 999364664 /nfs/dbraw/zinc/36/46/64/999364664.db2.gz MEJFTNWCCMANGK-UHFFFAOYSA-N 1 0 400.526 3.878 20 30 HHEDRO COc1ccccc1C[C@@H](C)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479291706 999368788 /nfs/dbraw/zinc/36/87/88/999368788.db2.gz VDVCJAAUBVAJHA-HXUWFJFHSA-N 1 0 405.542 3.938 20 30 HHEDRO N#CC1(NC(=O)c2cc(Br)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000479351747 999398857 /nfs/dbraw/zinc/39/88/57/999398857.db2.gz WJGFTPXREGNJCD-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO Cn1cc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000479588101 999491669 /nfs/dbraw/zinc/49/16/69/999491669.db2.gz QFNYOIXDGDDWPH-UHFFFAOYSA-N 1 0 415.419 3.627 20 30 HHEDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488461293 999493904 /nfs/dbraw/zinc/49/39/04/999493904.db2.gz INZICGRBFNQBBC-VGOFRKELSA-N 1 0 419.529 3.540 20 30 HHEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488473033 999498852 /nfs/dbraw/zinc/49/88/52/999498852.db2.gz VWTWVFBETXBONR-HRAATJIYSA-N 1 0 413.468 3.871 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000488475157 999499638 /nfs/dbraw/zinc/49/96/38/999499638.db2.gz ZWQVVORXCAKIQV-WFASDCNBSA-N 1 0 404.333 3.834 20 30 HHEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476806 999500685 /nfs/dbraw/zinc/50/06/85/999500685.db2.gz MEJOOUOJZCLMGD-FOIQADDNSA-N 1 0 417.538 3.837 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000479613029 999501194 /nfs/dbraw/zinc/50/11/94/999501194.db2.gz JHGVFSFVAVZKEB-UHFFFAOYSA-N 1 0 414.509 3.659 20 30 HHEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000488478843 999501469 /nfs/dbraw/zinc/50/14/69/999501469.db2.gz CAAUNDFNAZWDFZ-WAIKUNEKSA-N 1 0 417.488 3.643 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)cc1 ZINC000488482399 999502641 /nfs/dbraw/zinc/50/26/41/999502641.db2.gz UZABKPXFWHJINT-WOJBJXKFSA-N 1 0 415.415 3.835 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)(F)F ZINC000488502850 999509703 /nfs/dbraw/zinc/50/97/03/999509703.db2.gz IVEBYJYBAYCLNX-KBXCAEBGSA-N 1 0 403.404 3.909 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc4C3)C2=O)cc1 ZINC000488503982 999510441 /nfs/dbraw/zinc/51/04/41/999510441.db2.gz VZGRILZPBLGLHU-SFTDATJTSA-N 1 0 424.342 3.569 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)ccc1F ZINC000488833121 999621670 /nfs/dbraw/zinc/62/16/70/999621670.db2.gz ZVKHAUCGBICQAA-UHFFFAOYSA-N 1 0 401.507 3.552 20 30 HHEDRO Cn1cc(C[NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479886117 999636486 /nfs/dbraw/zinc/63/64/86/999636486.db2.gz IQBCLGSQQGJWQO-UHFFFAOYSA-N 1 0 422.492 3.896 20 30 HHEDRO C[C@@H]1CN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC[N@@H+](C2CCC2)C1 ZINC000488920076 999647355 /nfs/dbraw/zinc/64/73/55/999647355.db2.gz PBQVXWJYOYBEDJ-NLMOZGTASA-N 1 0 410.562 3.764 20 30 HHEDRO COc1cccc(Cl)c1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000479964176 999666262 /nfs/dbraw/zinc/66/62/62/999666262.db2.gz TVYPXDDGJFUWSP-UHFFFAOYSA-N 1 0 412.921 3.638 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000480297315 999765365 /nfs/dbraw/zinc/76/53/65/999765365.db2.gz UGMXUKBMWHFYSI-QVKFZJNVSA-N 1 0 406.465 3.696 20 30 HHEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000480365168 999781362 /nfs/dbraw/zinc/78/13/62/999781362.db2.gz JQFYXIOHKKJAND-UHFFFAOYSA-N 1 0 400.914 3.737 20 30 HHEDRO C=CCn1c(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccc(C)cc1 ZINC000480424215 999795408 /nfs/dbraw/zinc/79/54/08/999795408.db2.gz CVIJORWYPGPWSA-JOCHJYFZSA-N 1 0 420.582 3.951 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C)C(C)C ZINC000480541397 999821974 /nfs/dbraw/zinc/82/19/74/999821974.db2.gz LKYBHJOTRZTMRB-AZUAARDMSA-N 1 0 414.598 3.721 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)C2=O)cc1 ZINC000490016670 999878255 /nfs/dbraw/zinc/87/82/55/999878255.db2.gz ZANBDHYCAMYGDD-UGKGYDQZSA-N 1 0 405.473 3.788 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)CC1 ZINC000490355423 999943600 /nfs/dbraw/zinc/94/36/00/999943600.db2.gz SCUHDIAYJCURTE-NRFANRHFSA-N 1 0 424.932 3.740 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000490381534 999948662 /nfs/dbraw/zinc/94/86/62/999948662.db2.gz WESDXVXDUUMUDH-INIZCTEOSA-N 1 0 424.932 3.841 20 30 HHEDRO C=CCN1CCC([NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CC1 ZINC000491043051 1000038686 /nfs/dbraw/zinc/03/86/86/1000038686.db2.gz YRFRJGRJFMRTRI-QFIPXVFZSA-N 1 0 420.525 3.698 20 30 HHEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491043198 1000038743 /nfs/dbraw/zinc/03/87/43/1000038743.db2.gz ZUVYTKQSNUKMBH-DEOSSOPVSA-N 1 0 412.599 3.982 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000491114226 1000046978 /nfs/dbraw/zinc/04/69/78/1000046978.db2.gz VKCHZJZIGDMMEL-UHFFFAOYSA-N 1 0 424.570 3.516 20 30 HHEDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccccc2C1 ZINC000492250783 1000117800 /nfs/dbraw/zinc/11/78/00/1000117800.db2.gz GSJAHGLKEYQQBN-OFNKIYASSA-N 1 0 406.505 3.749 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492492416 1000129445 /nfs/dbraw/zinc/12/94/45/1000129445.db2.gz WFHZBGMOFZQKHC-INIZCTEOSA-N 1 0 419.451 3.874 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000493047589 1000155561 /nfs/dbraw/zinc/15/55/61/1000155561.db2.gz PIOCHWGOINUMJN-UHFFFAOYSA-N 1 0 403.482 3.934 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493473661 1000175515 /nfs/dbraw/zinc/17/55/15/1000175515.db2.gz PYAICDBRGJYMDK-FYYLOGMGSA-N 1 0 422.573 3.953 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000504691147 1000328094 /nfs/dbraw/zinc/32/80/94/1000328094.db2.gz FNGKPIQKIVZHQA-UHFFFAOYSA-N 1 0 416.525 3.864 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC)c(Br)cc2C)CC1 ZINC000494169423 1000339473 /nfs/dbraw/zinc/33/94/73/1000339473.db2.gz GSXLTCJSCQEOCV-UHFFFAOYSA-N 1 0 424.339 3.706 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000494465346 1000506242 /nfs/dbraw/zinc/50/62/42/1000506242.db2.gz BAIYOUKJDMGCCB-CTNGQTDRSA-N 1 0 419.859 3.985 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494468907 1000509020 /nfs/dbraw/zinc/50/90/20/1000509020.db2.gz SMAHYPOERCBYHK-WOVYWWTOSA-N 1 0 417.481 3.833 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494475312 1000512334 /nfs/dbraw/zinc/51/23/34/1000512334.db2.gz SJEVTZCFVLYDPI-MZEILVMUSA-N 1 0 405.489 3.704 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000494475999 1000512955 /nfs/dbraw/zinc/51/29/55/1000512955.db2.gz UFOLCKZMKZXFTP-HCLVMJGWSA-N 1 0 419.468 3.561 20 30 HHEDRO CCOc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000505204320 1000617167 /nfs/dbraw/zinc/61/71/67/1000617167.db2.gz NIHCRWMXMXEONC-SFHVURJKSA-N 1 0 424.545 3.800 20 30 HHEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494753313 1000635410 /nfs/dbraw/zinc/63/54/10/1000635410.db2.gz XVOZLSQVBPLUDL-LQWHRVPQSA-N 1 0 412.578 3.867 20 30 HHEDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000495055948 1000803350 /nfs/dbraw/zinc/80/33/50/1000803350.db2.gz ASRFHCJQCQNGBT-QRVBRYPASA-N 1 0 412.578 3.867 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 ZINC000505778458 1001019047 /nfs/dbraw/zinc/01/90/47/1001019047.db2.gz SGTCWCQNYJMTOO-KOSHJBKYSA-N 1 0 413.562 3.939 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000505782738 1001021592 /nfs/dbraw/zinc/02/15/92/1001021592.db2.gz OIPXSLZDSCVPIS-DEOSSOPVSA-N 1 0 413.562 3.796 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000505784982 1001022048 /nfs/dbraw/zinc/02/20/48/1001022048.db2.gz RRSOQPIIIRTFKE-ICSRJNTNSA-N 1 0 404.297 3.784 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000505790139 1001024917 /nfs/dbraw/zinc/02/49/17/1001024917.db2.gz OVSKCGYMFVSTRZ-SFHVURJKSA-N 1 0 420.513 3.779 20 30 HHEDRO Cc1cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)nn1-c1cccc(C#N)c1 ZINC000505793675 1001027461 /nfs/dbraw/zinc/02/74/61/1001027461.db2.gz WDSNWFBKNNURIM-UHFFFAOYSA-N 1 0 405.546 3.781 20 30 HHEDRO N#C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000505934474 1001111642 /nfs/dbraw/zinc/11/16/42/1001111642.db2.gz ZXXJKDFSMZPSEZ-UYAOXDASSA-N 1 0 405.395 3.961 20 30 HHEDRO N#Cc1cccc(C2(NC(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)CC2)c1 ZINC000496245660 1001146335 /nfs/dbraw/zinc/14/63/35/1001146335.db2.gz NMYSFCGKOWJCRO-UHFFFAOYSA-N 1 0 404.514 3.521 20 30 HHEDRO C[NH2+]C(C)(C)CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000496355275 1001164908 /nfs/dbraw/zinc/16/49/08/1001164908.db2.gz CYVULJLZPTWNKM-UHFFFAOYSA-N 1 0 411.453 3.744 20 30 HHEDRO C=CCSc1ccccc1NC(=O)CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506023440 1001170239 /nfs/dbraw/zinc/17/02/39/1001170239.db2.gz XTPUOFVUXIHBNZ-UHFFFAOYSA-N 1 0 417.619 3.728 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[NH+](C)C)cc1 ZINC000506031610 1001176406 /nfs/dbraw/zinc/17/64/06/1001176406.db2.gz QPFLAWOXGMFREL-DEOSSOPVSA-N 1 0 422.548 3.895 20 30 HHEDRO C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000496628869 1001206582 /nfs/dbraw/zinc/20/65/82/1001206582.db2.gz GAQCTVZKPUQGBI-KPDCDPCYSA-N 1 0 423.536 3.657 20 30 HHEDRO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000496628892 1001207257 /nfs/dbraw/zinc/20/72/57/1001207257.db2.gz GAQCTVZKPUQGBI-XTQVGHSUSA-N 1 0 423.536 3.657 20 30 HHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000506129567 1001238219 /nfs/dbraw/zinc/23/82/19/1001238219.db2.gz ZYXCZEAKIWUGFK-UHFFFAOYSA-N 1 0 415.541 3.932 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cn(-c4ccc(F)cc4Cl)nn3)CC2)cc1 ZINC000506269948 1001320065 /nfs/dbraw/zinc/32/00/65/1001320065.db2.gz QONPZHPERYLQNL-UHFFFAOYSA-N 1 0 424.911 3.639 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000506452467 1001419877 /nfs/dbraw/zinc/41/98/77/1001419877.db2.gz DYYCLVJCDPOBFM-OAHLLOKOSA-N 1 0 407.917 3.719 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000506486190 1001435411 /nfs/dbraw/zinc/43/54/11/1001435411.db2.gz FGUWIWJBOHRYOB-HSZRJFAPSA-N 1 0 409.530 3.743 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000497693478 1001487093 /nfs/dbraw/zinc/48/70/93/1001487093.db2.gz BXUYFQINVHQLKB-LJQANCHMSA-N 1 0 411.502 3.662 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1OCCCC#N ZINC000506721763 1001505023 /nfs/dbraw/zinc/50/50/23/1001505023.db2.gz IDONPYDBIPBAAB-UHFFFAOYSA-N 1 0 421.541 3.906 20 30 HHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000506745906 1001512221 /nfs/dbraw/zinc/51/22/21/1001512221.db2.gz ZNJMNOVYZWWWMW-SBUREZEXSA-N 1 0 415.534 3.607 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc2c(C)cccc2c(=O)[nH]1 ZINC000497926604 1001568264 /nfs/dbraw/zinc/56/82/64/1001568264.db2.gz CCSLICSQXVEUAT-UHFFFAOYSA-N 1 0 424.574 3.742 20 30 HHEDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000506924787 1001596558 /nfs/dbraw/zinc/59/65/58/1001596558.db2.gz ALGBYCJAUDBWGR-BUKVSMQUSA-N 1 0 424.932 3.537 20 30 HHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)cc2)CC1 ZINC000498028672 1001612720 /nfs/dbraw/zinc/61/27/20/1001612720.db2.gz RVJSONLMFVSLAL-UHFFFAOYSA-N 1 0 414.513 3.527 20 30 HHEDRO Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)n2c3ccccc3nc2c1C#N ZINC000507036876 1001775010 /nfs/dbraw/zinc/77/50/10/1001775010.db2.gz LAXBPKFDMYMBFP-UHFFFAOYSA-N 1 0 403.530 3.606 20 30 HHEDRO N#CCCn1cc(CN2CC[NH+](CCc3cccs3)CC2)c(-c2ccccc2)n1 ZINC000507064393 1001787884 /nfs/dbraw/zinc/78/78/84/1001787884.db2.gz KKMCCUPNBUTXGG-UHFFFAOYSA-N 1 0 405.571 3.886 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](C(=O)NCC4CC4)C3)c2)c1 ZINC000507064604 1001788580 /nfs/dbraw/zinc/78/85/80/1001788580.db2.gz MHXSYOGYXJRTLZ-QHCPKHFHSA-N 1 0 403.526 3.875 20 30 HHEDRO Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)nn1-c1cccc(C#N)c1 ZINC000507083469 1001797315 /nfs/dbraw/zinc/79/73/15/1001797315.db2.gz HOLCASNBBLLIBY-UNMCSNQZSA-N 1 0 419.916 3.881 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccc(F)cc1F ZINC000498375333 1001806510 /nfs/dbraw/zinc/80/65/10/1001806510.db2.gz OXSFPRWRJBXNOS-UHFFFAOYSA-N 1 0 401.457 3.586 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)cc1OC ZINC000498376568 1001807254 /nfs/dbraw/zinc/80/72/54/1001807254.db2.gz UTOSNYIHKVXNGK-IUODEOHRSA-N 1 0 412.246 3.814 20 30 HHEDRO C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507259992 1001943981 /nfs/dbraw/zinc/94/39/81/1001943981.db2.gz OTQGNZLQHQFCBV-JOCHJYFZSA-N 1 0 420.553 3.910 20 30 HHEDRO COC(=O)[C@H](C)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000507363201 1002024811 /nfs/dbraw/zinc/02/48/11/1002024811.db2.gz VDWGANAHWUKTBD-MRXNPFEDSA-N 1 0 413.905 3.852 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000507475858 1002093344 /nfs/dbraw/zinc/09/33/44/1002093344.db2.gz IDCXIOVABRDNQA-QVQNZMNRSA-N 1 0 414.553 3.554 20 30 HHEDRO C[C@H]1CCC[C@](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)([NH+](C)C)C1 ZINC000507555346 1002161292 /nfs/dbraw/zinc/16/12/92/1002161292.db2.gz ZDYLJHYYMNEMSM-SBUREZEXSA-N 1 0 400.542 3.540 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000498840343 1002225678 /nfs/dbraw/zinc/22/56/78/1002225678.db2.gz YJUDPPHYKWIOAS-OAQYLSRUSA-N 1 0 410.493 3.684 20 30 HHEDRO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507631233 1002233949 /nfs/dbraw/zinc/23/39/49/1002233949.db2.gz XOEKFNBMTHRBFS-UHFFFAOYSA-N 1 0 411.571 3.867 20 30 HHEDRO COc1ccc([C@H](CO)N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000499020417 1002396565 /nfs/dbraw/zinc/39/65/65/1002396565.db2.gz JSVAJCVVCJFUAH-UZLBHIALSA-N 1 0 413.543 3.551 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)ccc1Br ZINC000499060622 1002443739 /nfs/dbraw/zinc/44/37/39/1002443739.db2.gz WMANBEDNLIEDMK-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507929980 1002464170 /nfs/dbraw/zinc/46/41/70/1002464170.db2.gz KDVNKXLFNLDFKL-OAQYLSRUSA-N 1 0 424.511 3.656 20 30 HHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000508016724 1002541349 /nfs/dbraw/zinc/54/13/49/1002541349.db2.gz GMXLODASQJKHFB-GOSISDBHSA-N 1 0 416.591 3.601 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000508276172 1002789344 /nfs/dbraw/zinc/78/93/44/1002789344.db2.gz SHCBUMIYPKSZII-UHFFFAOYSA-N 1 0 424.501 3.591 20 30 HHEDRO CCC[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+]1CCOC ZINC000499445774 1002833261 /nfs/dbraw/zinc/83/32/61/1002833261.db2.gz ZQNLLBHJVQBHIR-HSZRJFAPSA-N 1 0 421.541 3.710 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508487674 1002970832 /nfs/dbraw/zinc/97/08/32/1002970832.db2.gz GSTNUZOIYKFSBY-ROUUACIJSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508488193 1002971803 /nfs/dbraw/zinc/97/18/03/1002971803.db2.gz INMLBAJNTCNQCN-QZTJIDSGSA-N 1 0 401.530 3.911 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000499596221 1002971903 /nfs/dbraw/zinc/97/19/03/1002971903.db2.gz OKIDJFDWAGKJLX-FQEVSTJZSA-N 1 0 407.562 3.931 20 30 HHEDRO N#CC1(CCC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCOCC1 ZINC000499620453 1002989651 /nfs/dbraw/zinc/98/96/51/1002989651.db2.gz SUBDLCGHCXDPPS-FQEVSTJZSA-N 1 0 421.545 3.942 20 30 HHEDRO COCC[N@H+](C)CCCC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000499642941 1003007538 /nfs/dbraw/zinc/00/75/38/1003007538.db2.gz WGXDBIBNKYEMRM-UHFFFAOYSA-N 1 0 411.506 3.589 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1noc(C)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000499677883 1003033233 /nfs/dbraw/zinc/03/32/33/1003033233.db2.gz BYEOHAGEDKSFPT-GOSISDBHSA-N 1 0 408.424 3.615 20 30 HHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508738541 1003177122 /nfs/dbraw/zinc/17/71/22/1003177122.db2.gz GUVVDNOSQSXNEA-UGKGYDQZSA-N 1 0 407.562 3.805 20 30 HHEDRO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000508741614 1003179319 /nfs/dbraw/zinc/17/93/19/1003179319.db2.gz YNKSYIXDLCEYNV-UHFFFAOYSA-N 1 0 410.909 3.515 20 30 HHEDRO C=CCn1c(-c2cccn2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508792153 1003220817 /nfs/dbraw/zinc/22/08/17/1003220817.db2.gz DLACFTNMOZRLDM-FGZHOGPDSA-N 1 0 416.573 3.961 20 30 HHEDRO C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508792423 1003221153 /nfs/dbraw/zinc/22/11/53/1003221153.db2.gz FGLBBDUMODHUDH-UHFFFAOYSA-N 1 0 420.605 3.729 20 30 HHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508850039 1003270932 /nfs/dbraw/zinc/27/09/32/1003270932.db2.gz TVJMMPMWOBRDMO-CTNGQTDRSA-N 1 0 407.562 3.517 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508861725 1003282075 /nfs/dbraw/zinc/28/20/75/1003282075.db2.gz BNLLSOAPGIFVCB-YLJYHZDGSA-N 1 0 411.525 3.635 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508874600 1003294678 /nfs/dbraw/zinc/29/46/78/1003294678.db2.gz RMPZSIJSNWILGW-KRWDZBQOSA-N 1 0 403.477 3.797 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[NH+](C)C ZINC000508898439 1003330758 /nfs/dbraw/zinc/33/07/58/1003330758.db2.gz QCRRZBNCXSYNQC-TZYHBYERSA-N 1 0 406.530 3.641 20 30 HHEDRO C=CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000508909046 1003350126 /nfs/dbraw/zinc/35/01/26/1003350126.db2.gz XMUSRDYOWLKIHI-QFIPXVFZSA-N 1 0 421.589 3.993 20 30 HHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000508911563 1003351268 /nfs/dbraw/zinc/35/12/68/1003351268.db2.gz BESMGQRMIBMUKV-IBGZPJMESA-N 1 0 418.545 3.726 20 30 HHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000508920699 1003358916 /nfs/dbraw/zinc/35/89/16/1003358916.db2.gz VUDMISKTWUDGLV-GHTZIAJQSA-N 1 0 423.565 3.675 20 30 HHEDRO Cc1ccc(C)n1-c1nc(CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cs1 ZINC000508930212 1003376073 /nfs/dbraw/zinc/37/60/73/1003376073.db2.gz AYNIARCSJONNLU-UHFFFAOYSA-N 1 0 421.570 3.555 20 30 HHEDRO C=CCc1cc(C[NH2+]CCCN2CCN(c3cccc(C)c3)CC2)cc(OC)c1O ZINC000500286352 1003599705 /nfs/dbraw/zinc/59/97/05/1003599705.db2.gz HITISZYOVTYVON-UHFFFAOYSA-N 1 0 409.574 3.740 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)CC(C)C ZINC000509296619 1003690972 /nfs/dbraw/zinc/69/09/72/1003690972.db2.gz NEUJIUNDIRVIGV-FQEVSTJZSA-N 1 0 400.567 3.868 20 30 HHEDRO Cc1cc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n2c3ccccc3nc2c1C#N ZINC000500517275 1003757619 /nfs/dbraw/zinc/75/76/19/1003757619.db2.gz SGYVTKUEKMAVRD-BGYRXZFFSA-N 1 0 416.573 3.662 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)s1 ZINC000509369709 1003798516 /nfs/dbraw/zinc/79/85/16/1003798516.db2.gz FEOWTCHXDHQQGY-GFCCVEGCSA-N 1 0 405.321 3.628 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc1OCC ZINC000509420703 1003849036 /nfs/dbraw/zinc/84/90/36/1003849036.db2.gz ZQJGHXGQVDEDOZ-IAGOWNOFSA-N 1 0 423.351 3.656 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500648979 1003862710 /nfs/dbraw/zinc/86/27/10/1003862710.db2.gz GDUCAQVIHMBHNJ-UTKZUKDTSA-N 1 0 415.534 3.685 20 30 HHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511886515 1003863133 /nfs/dbraw/zinc/86/31/33/1003863133.db2.gz DPOZQKYBUHHIOM-DNVJHFABSA-N 1 0 411.509 3.951 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509453976 1003874829 /nfs/dbraw/zinc/87/48/29/1003874829.db2.gz QYTDFQJNECWCHJ-NRFANRHFSA-N 1 0 410.518 3.787 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000509492292 1003902845 /nfs/dbraw/zinc/90/28/45/1003902845.db2.gz KTAAWYNNOAFCBL-OAHLLOKOSA-N 1 0 414.912 3.984 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000500747823 1003934732 /nfs/dbraw/zinc/93/47/32/1003934732.db2.gz ZATIAPNPCOVAAX-XLIONFOSSA-N 1 0 407.562 3.931 20 30 HHEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2C1=O ZINC000500779025 1003951020 /nfs/dbraw/zinc/95/10/20/1003951020.db2.gz YDHJCSFIHPHZRD-KRWDZBQOSA-N 1 0 417.509 3.953 20 30 HHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509570991 1003952256 /nfs/dbraw/zinc/95/22/56/1003952256.db2.gz RGFSYNRPSGHCHI-UWJYYQICSA-N 1 0 410.518 3.833 20 30 HHEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2nc(C(F)(F)F)ccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000509626723 1003990189 /nfs/dbraw/zinc/99/01/89/1003990189.db2.gz UBLYWJJCJCYJQP-MAUKXSAKSA-N 1 0 406.456 3.615 20 30 HHEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000512074810 1004002995 /nfs/dbraw/zinc/00/29/95/1004002995.db2.gz VCNHFQFBMSIJNW-MZKRTTBSSA-N 1 0 407.562 3.537 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000512142958 1004053979 /nfs/dbraw/zinc/05/39/79/1004053979.db2.gz OYXJQGFEGAZCLT-KRWDZBQOSA-N 1 0 421.451 3.873 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)c1 ZINC000509726716 1004054646 /nfs/dbraw/zinc/05/46/46/1004054646.db2.gz GKOWOITZMBAMTG-UHFFFAOYSA-N 1 0 405.546 3.655 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000500968681 1004085047 /nfs/dbraw/zinc/08/50/47/1004085047.db2.gz SHURYJZETZOSQV-LAUBAEHRSA-N 1 0 415.534 3.512 20 30 HHEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000500969105 1004085225 /nfs/dbraw/zinc/08/52/25/1004085225.db2.gz ISTHUTVCUCEOGH-MRXNPFEDSA-N 1 0 416.576 3.506 20 30 HHEDRO CC1CCC(N(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)CC1 ZINC000500972331 1004087258 /nfs/dbraw/zinc/08/72/58/1004087258.db2.gz IUXKARSIIJMSNP-UHFFFAOYSA-N 1 0 408.590 3.636 20 30 HHEDRO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000512272716 1004174454 /nfs/dbraw/zinc/17/44/54/1004174454.db2.gz UKVFQJXHOVJYAG-INIZCTEOSA-N 1 0 402.608 3.879 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000512281958 1004184494 /nfs/dbraw/zinc/18/44/94/1004184494.db2.gz PSJUZFVYWPGKND-GOSISDBHSA-N 1 0 408.521 3.649 20 30 HHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)ccn1 ZINC000512305760 1004206272 /nfs/dbraw/zinc/20/62/72/1004206272.db2.gz WOGPRMZYNDWCEB-UHFFFAOYSA-N 1 0 402.454 3.938 20 30 HHEDRO CC[NH+](CC)[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000509926546 1004211798 /nfs/dbraw/zinc/21/17/98/1004211798.db2.gz HQHNQRXRCCKHTB-YDPRHXJPSA-N 1 0 406.530 3.843 20 30 HHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000512432107 1004298261 /nfs/dbraw/zinc/29/82/61/1004298261.db2.gz CUFLSGHLNHUWAJ-MRXNPFEDSA-N 1 0 420.273 3.600 20 30 HHEDRO CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000512493070 1004341718 /nfs/dbraw/zinc/34/17/18/1004341718.db2.gz CBQLHCUHRLLCGU-UHFFFAOYSA-N 1 0 417.509 3.948 20 30 HHEDRO C=C(C)C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cnn(C(C)C)c1 ZINC000512506872 1004349755 /nfs/dbraw/zinc/34/97/55/1004349755.db2.gz QZUHFWSRHVTWQC-UHFFFAOYSA-N 1 0 423.561 3.998 20 30 HHEDRO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000510160182 1004365493 /nfs/dbraw/zinc/36/54/93/1004365493.db2.gz QNPGNHZUJQRHNT-UHFFFAOYSA-N 1 0 413.562 3.851 20 30 HHEDRO CC(C)CNC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000510162547 1004367413 /nfs/dbraw/zinc/36/74/13/1004367413.db2.gz XGECQSLDTMNAIE-UHFFFAOYSA-N 1 0 421.545 3.540 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000512637022 1004449600 /nfs/dbraw/zinc/44/96/00/1004449600.db2.gz QQNSDLIEJHDECP-UHFFFAOYSA-N 1 0 423.557 3.936 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)cc(OC)c1O ZINC000512676982 1004485173 /nfs/dbraw/zinc/48/51/73/1004485173.db2.gz GEWDENZJOLHVPJ-UHFFFAOYSA-N 1 0 400.544 3.894 20 30 HHEDRO CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccco1 ZINC000510420339 1004554614 /nfs/dbraw/zinc/55/46/14/1004554614.db2.gz DKPKGADVCDONEL-DOMZBBRYSA-N 1 0 415.437 3.578 20 30 HHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)ccc1OC ZINC000501618809 1004556723 /nfs/dbraw/zinc/55/67/23/1004556723.db2.gz BCIQKSDHFKUXSA-UHFFFAOYSA-N 1 0 410.518 3.951 20 30 HHEDRO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510521338 1004647003 /nfs/dbraw/zinc/64/70/03/1004647003.db2.gz FVRMOLZESVBSMS-HKUYNNGSSA-N 1 0 400.592 3.744 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)c1 ZINC000510522716 1004650359 /nfs/dbraw/zinc/65/03/59/1004650359.db2.gz IRVCAYMCGUDRRK-UHFFFAOYSA-N 1 0 402.454 3.720 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000510536932 1004669287 /nfs/dbraw/zinc/66/92/87/1004669287.db2.gz ZHMBXPASRAQPRE-QZTJIDSGSA-N 1 0 422.529 3.888 20 30 HHEDRO CCc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CCn2cnc(C#N)n2)cc1 ZINC000512904051 1004671947 /nfs/dbraw/zinc/67/19/47/1004671947.db2.gz LRZKURBAOBKMGV-UHFFFAOYSA-N 1 0 411.513 3.663 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000501812957 1004752694 /nfs/dbraw/zinc/75/26/94/1004752694.db2.gz MOBSLGATCWYDIW-DEOSSOPVSA-N 1 0 419.550 3.790 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000501812958 1004752832 /nfs/dbraw/zinc/75/28/32/1004752832.db2.gz MOBSLGATCWYDIW-XMMPIXPASA-N 1 0 419.550 3.790 20 30 HHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C2)CC1 ZINC000513113686 1004813917 /nfs/dbraw/zinc/81/39/17/1004813917.db2.gz QURQAXGUNBKTKW-SFHVURJKSA-N 1 0 424.524 3.859 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C#N ZINC000513157427 1004837178 /nfs/dbraw/zinc/83/71/78/1004837178.db2.gz BDYGJVVBSXBBNN-WCRBZPEASA-N 1 0 411.594 3.977 20 30 HHEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513174024 1004844956 /nfs/dbraw/zinc/84/49/56/1004844956.db2.gz NNYNHGXXDHZNNM-GOSISDBHSA-N 1 0 409.433 3.568 20 30 HHEDRO CN(C(=O)C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)C1(C#N)CCCCC1 ZINC000513187642 1004851616 /nfs/dbraw/zinc/85/16/16/1004851616.db2.gz FAWGYXYZTKLNKG-HXUWFJFHSA-N 1 0 423.479 3.681 20 30 HHEDRO C[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000510872139 1004903274 /nfs/dbraw/zinc/90/32/74/1004903274.db2.gz NLYBLQWKCOKPOH-LJQANCHMSA-N 1 0 418.541 3.558 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)NCCCC3CCCCC3)CC2)c1 ZINC000502159732 1004930206 /nfs/dbraw/zinc/93/02/06/1004930206.db2.gz SEJODEZHETWXGG-UHFFFAOYSA-N 1 0 410.562 3.685 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000510919016 1004932381 /nfs/dbraw/zinc/93/23/81/1004932381.db2.gz GKTKVOKXRDESDE-UHFFFAOYSA-N 1 0 418.541 3.907 20 30 HHEDRO N#CC1(F)CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000510943644 1004946864 /nfs/dbraw/zinc/94/68/64/1004946864.db2.gz BZZGWZPPKUMICE-HXUWFJFHSA-N 1 0 404.432 3.759 20 30 HHEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502197634 1004952977 /nfs/dbraw/zinc/95/29/77/1004952977.db2.gz SFYCTDVNCSOXEZ-QLDGJZPUSA-N 1 0 410.562 3.538 20 30 HHEDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000502200578 1004954598 /nfs/dbraw/zinc/95/45/98/1004954598.db2.gz YJMCTKPQENZTEV-GOSISDBHSA-N 1 0 404.514 3.650 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2sccc2C#N)ccc1Cl ZINC000511190700 1005066948 /nfs/dbraw/zinc/06/69/48/1005066948.db2.gz NIJVLKPHTKBGRT-UHFFFAOYSA-N 1 0 404.923 3.597 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](c3cccc(Cl)c3)N3CCOCC3)CC2)cc1 ZINC000513655612 1005068632 /nfs/dbraw/zinc/06/86/32/1005068632.db2.gz NSWISPSBMSQFRX-XMMPIXPASA-N 1 0 424.976 3.844 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3cccc(Br)c3)CC2)cc1 ZINC000513673653 1005077359 /nfs/dbraw/zinc/07/73/59/1005077359.db2.gz VLMQBMHIOCCEJE-UHFFFAOYSA-N 1 0 400.320 3.958 20 30 HHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccco1 ZINC000513697415 1005086801 /nfs/dbraw/zinc/08/68/01/1005086801.db2.gz NIUDAACYBMOKJS-UYAOXDASSA-N 1 0 404.532 3.534 20 30 HHEDRO CC[C@@H]1C[C@@]1([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccc(C)c1 ZINC000502559710 1005118647 /nfs/dbraw/zinc/11/86/47/1005118647.db2.gz NSGLVENHBWHVAU-IZIIKQMZSA-N 1 0 422.598 3.680 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000502656279 1005164374 /nfs/dbraw/zinc/16/43/74/1005164374.db2.gz VKDBLTIVDKPMKE-SFHVURJKSA-N 1 0 422.529 3.978 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000502679919 1005177452 /nfs/dbraw/zinc/17/74/52/1005177452.db2.gz OGKWXOPHASXIJW-XMMPIXPASA-N 1 0 411.546 3.914 20 30 HHEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3Sc3ccccc3C#N)[C@H]2C1 ZINC000502726662 1005192533 /nfs/dbraw/zinc/19/25/33/1005192533.db2.gz OFTKGRQVJUIQTG-VQTJNVASSA-N 1 0 407.539 3.645 20 30 HHEDRO COc1ccc(C[C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000511478931 1005194111 /nfs/dbraw/zinc/19/41/11/1005194111.db2.gz CCIQXJCFYGOHJG-IBGZPJMESA-N 1 0 421.541 3.557 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC000511507080 1005204582 /nfs/dbraw/zinc/20/45/82/1005204582.db2.gz QUXFEJKRPITHQF-SFTDATJTSA-N 1 0 403.486 3.559 20 30 HHEDRO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[NH+]1CCCC1 ZINC000511530172 1005212462 /nfs/dbraw/zinc/21/24/62/1005212462.db2.gz FUHIZSWOAXZYCJ-QGZVFWFLSA-N 1 0 405.502 3.664 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2CCCC23CCOCC3)c1C#N ZINC000502822557 1005232452 /nfs/dbraw/zinc/23/24/52/1005232452.db2.gz JIGRNOUVZTWEOY-NRFANRHFSA-N 1 0 424.520 3.982 20 30 HHEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000511640531 1005256459 /nfs/dbraw/zinc/25/64/59/1005256459.db2.gz NKEZIRZJQUTPPW-XVWOVUINSA-N 1 0 410.562 3.776 20 30 HHEDRO COc1cccc([C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N2CCCC2)c1 ZINC000514093525 1005262550 /nfs/dbraw/zinc/26/25/50/1005262550.db2.gz JGVUHCFFXZHUPP-RUZDIDTESA-N 1 0 404.558 3.962 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000511717685 1005290682 /nfs/dbraw/zinc/29/06/82/1005290682.db2.gz ZDZCLHHSOYJHJB-APWZRJJASA-N 1 0 424.932 3.567 20 30 HHEDRO C=CCc1cc(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000514232299 1005324241 /nfs/dbraw/zinc/32/42/41/1005324241.db2.gz KCCUZFXZFSQTQN-ROUUACIJSA-N 1 0 403.567 3.600 20 30 HHEDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000514242082 1005329011 /nfs/dbraw/zinc/32/90/11/1005329011.db2.gz PVUNPPSOXGEBPW-HOCLYGCPSA-N 1 0 402.539 3.598 20 30 HHEDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000514242080 1005329175 /nfs/dbraw/zinc/32/91/75/1005329175.db2.gz PVUNPPSOXGEBPW-GOEBONIOSA-N 1 0 402.539 3.598 20 30 HHEDRO Cc1cc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)nn1-c1cccc(C#N)c1 ZINC000503112946 1005350309 /nfs/dbraw/zinc/35/03/09/1005350309.db2.gz TUOUISYDCWCCAK-UHFFFAOYSA-N 1 0 412.497 3.821 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000503222488 1005371251 /nfs/dbraw/zinc/37/12/51/1005371251.db2.gz WNHGGTGFOSOBFZ-LJQANCHMSA-N 1 0 419.447 3.529 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Br)c1 ZINC000503375331 1005401700 /nfs/dbraw/zinc/40/17/00/1005401700.db2.gz KTKOTVGUTQWYQK-UHFFFAOYSA-N 1 0 401.308 3.916 20 30 HHEDRO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503396463 1005407577 /nfs/dbraw/zinc/40/75/77/1005407577.db2.gz MAVXHUMGYQSONZ-QHCPKHFHSA-N 1 0 413.525 3.789 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)C(C)C ZINC000503427712 1005417222 /nfs/dbraw/zinc/41/72/22/1005417222.db2.gz FDPGUXLHFFPGQC-UNMCSNQZSA-N 1 0 412.578 3.745 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000503490253 1005435612 /nfs/dbraw/zinc/43/56/12/1005435612.db2.gz DDNSUCLYIIESSH-NQIIRXRSSA-N 1 0 407.514 3.544 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000503690708 1005481123 /nfs/dbraw/zinc/48/11/23/1005481123.db2.gz RCWNEEYWNDBPCA-SFHVURJKSA-N 1 0 423.536 3.658 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC ZINC000503962849 1005520550 /nfs/dbraw/zinc/52/05/50/1005520550.db2.gz RAFXCTCCWTUABT-OAQYLSRUSA-N 1 0 405.498 3.807 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000504234311 1005579309 /nfs/dbraw/zinc/57/93/09/1005579309.db2.gz COWRDEMUSMOWHF-HSZRJFAPSA-N 1 0 402.542 3.896 20 30 HHEDRO CC[NH+](CC)CCn1c(NC(=O)[C@@H](C)Oc2ccccc2C#N)nc2ccccc21 ZINC000514496589 1006006076 /nfs/dbraw/zinc/00/60/76/1006006076.db2.gz GTPNIJUJKUKZQO-QGZVFWFLSA-N 1 0 405.502 3.656 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2C(C)C)CC1 ZINC000534100511 1006072256 /nfs/dbraw/zinc/07/22/56/1006072256.db2.gz IIHOLYRJMGEWJG-UHFFFAOYSA-N 1 0 422.367 3.668 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000531449966 1006204433 /nfs/dbraw/zinc/20/44/33/1006204433.db2.gz WPRWWQAVFJOMLD-ZHSNQQFMSA-N 1 0 407.514 3.873 20 30 HHEDRO N#CCCN(C(=O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534227704 1006225860 /nfs/dbraw/zinc/22/58/60/1006225860.db2.gz DEVYNFHLDPGJML-UHFFFAOYSA-N 1 0 416.569 3.921 20 30 HHEDRO COc1nc2ccccc2cc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000534348271 1006312811 /nfs/dbraw/zinc/31/28/11/1006312811.db2.gz IUDHTMIOFPXAGG-UHFFFAOYSA-N 1 0 400.482 3.966 20 30 HHEDRO N#CCCN(C(=O)C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1)c1cccc(Cl)c1 ZINC000534355199 1006315457 /nfs/dbraw/zinc/31/54/57/1006315457.db2.gz OFJHYQHVCQYERJ-JOCHJYFZSA-N 1 0 411.933 3.860 20 30 HHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1NC(C)=O ZINC000531715563 1006374726 /nfs/dbraw/zinc/37/47/26/1006374726.db2.gz JGGTUISAUHXUJM-HNAYVOBHSA-N 1 0 410.493 3.984 20 30 HHEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000515322564 1006393305 /nfs/dbraw/zinc/39/33/05/1006393305.db2.gz QJIQDNNDIJGAON-JXFKEZNVSA-N 1 0 417.347 3.866 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000515406895 1006444884 /nfs/dbraw/zinc/44/48/84/1006444884.db2.gz QUSPNNJTKNXFRA-NRFANRHFSA-N 1 0 407.514 3.507 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000515444273 1006466469 /nfs/dbraw/zinc/46/64/69/1006466469.db2.gz VKXLMJANFBYQSX-HOTGVXAUSA-N 1 0 412.921 3.871 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)CC2)cc1 ZINC000538395211 1006664140 /nfs/dbraw/zinc/66/41/40/1006664140.db2.gz GUNIDSXIUIUESK-QHCPKHFHSA-N 1 0 417.532 3.792 20 30 HHEDRO Cc1ccc(C(=O)N2CCC([NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)CC2)cc1 ZINC000538394857 1006664284 /nfs/dbraw/zinc/66/42/84/1006664284.db2.gz RVCQGDBMZAUHHG-UHFFFAOYSA-N 1 0 416.569 3.726 20 30 HHEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccccc2)no1 ZINC000538408577 1006675429 /nfs/dbraw/zinc/67/54/29/1006675429.db2.gz JPDBIXFVSYTJAI-SFHVURJKSA-N 1 0 401.514 3.966 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000515831532 1006707820 /nfs/dbraw/zinc/70/78/20/1006707820.db2.gz WYELVQLGMCRZAW-FQEVSTJZSA-N 1 0 408.571 3.751 20 30 HHEDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC(C)C)c1 ZINC000532296008 1006778529 /nfs/dbraw/zinc/77/85/29/1006778529.db2.gz PEJIYFQPANCPSW-UHFFFAOYSA-N 1 0 408.546 3.927 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)c1C#N ZINC000534790133 1006791253 /nfs/dbraw/zinc/79/12/53/1006791253.db2.gz UFEUGOSPJZFGKU-UHFFFAOYSA-N 1 0 406.317 3.801 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1ccc(C)cc1 ZINC000538535049 1006796850 /nfs/dbraw/zinc/79/68/50/1006796850.db2.gz OSERQKUZALYBKG-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000532429441 1006872657 /nfs/dbraw/zinc/87/26/57/1006872657.db2.gz WLSLBMUQTGCSKB-DQEYMECFSA-N 1 0 405.542 3.870 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000516107338 1006887142 /nfs/dbraw/zinc/88/71/42/1006887142.db2.gz XWRYZCWOOCOATF-JOCHJYFZSA-N 1 0 409.505 3.935 20 30 HHEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000516210242 1006948337 /nfs/dbraw/zinc/94/83/37/1006948337.db2.gz GLJVCOPTUNPCIO-LJQANCHMSA-N 1 0 401.532 3.503 20 30 HHEDRO Cc1cccc(C)c1OC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000516227118 1006961352 /nfs/dbraw/zinc/96/13/52/1006961352.db2.gz IMYFEJBDPURAEG-HXUWFJFHSA-N 1 0 408.546 3.716 20 30 HHEDRO Cn1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000538696634 1006975761 /nfs/dbraw/zinc/97/57/61/1006975761.db2.gz HPWOCUMNTWNPKK-UHFFFAOYSA-N 1 0 401.392 3.585 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958785 1007003467 /nfs/dbraw/zinc/00/34/67/1007003467.db2.gz GXJODAFFVPVZDX-OXTHUFEASA-N 1 0 415.896 3.927 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOCC23CCCC3)c1C#N ZINC000534965276 1007017143 /nfs/dbraw/zinc/01/71/43/1007017143.db2.gz PZFMSONVOGKEIP-UHFFFAOYSA-N 1 0 410.518 3.592 20 30 HHEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)ccc1OC ZINC000535077186 1007093701 /nfs/dbraw/zinc/09/37/01/1007093701.db2.gz SAPNVILVNXBKII-UHFFFAOYSA-N 1 0 400.441 3.541 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000516495697 1007107111 /nfs/dbraw/zinc/10/71/11/1007107111.db2.gz CEBPJFAKRWYDCV-HSZRJFAPSA-N 1 0 405.542 3.722 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000532694688 1007110404 /nfs/dbraw/zinc/11/04/04/1007110404.db2.gz FMGGRDWNPGWYEW-SFHVURJKSA-N 1 0 423.492 3.560 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000516510236 1007120090 /nfs/dbraw/zinc/12/00/90/1007120090.db2.gz VYJXSCKQTPLGCB-RTBURBONSA-N 1 0 421.541 3.740 20 30 HHEDRO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000532723939 1007133425 /nfs/dbraw/zinc/13/34/25/1007133425.db2.gz PZHLKCMIZXHUBM-QGZVFWFLSA-N 1 0 407.543 3.981 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000532907945 1007283199 /nfs/dbraw/zinc/28/31/99/1007283199.db2.gz ONXTXXAWYPLPOW-NRFANRHFSA-N 1 0 420.557 3.538 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532908110 1007284035 /nfs/dbraw/zinc/28/40/35/1007284035.db2.gz DJDGXHQGZWGTLN-MOPGFXCFSA-N 1 0 422.504 3.812 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000532915534 1007287359 /nfs/dbraw/zinc/28/73/59/1007287359.db2.gz QIGNWXYXAWJLCU-UTKZUKDTSA-N 1 0 424.511 3.656 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000532927032 1007299688 /nfs/dbraw/zinc/29/96/88/1007299688.db2.gz GSSRYKDCUVFYIM-WBVHZDCISA-N 1 0 410.326 3.845 20 30 HHEDRO C=CCC[C@H](NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1 ZINC000532931015 1007304223 /nfs/dbraw/zinc/30/42/23/1007304223.db2.gz WRDHGZBQOOKUSA-ZEQRLZLVSA-N 1 0 406.574 3.982 20 30 HHEDRO CCOc1ccc(C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)cc1 ZINC000532933958 1007306922 /nfs/dbraw/zinc/30/69/22/1007306922.db2.gz SALIQHFQXGPASS-UHFFFAOYSA-N 1 0 417.513 3.992 20 30 HHEDRO CC(C)C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000532933472 1007306959 /nfs/dbraw/zinc/30/69/59/1007306959.db2.gz ULYLRQOEDMRQBP-UHFFFAOYSA-N 1 0 412.497 3.712 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000533038120 1007398367 /nfs/dbraw/zinc/39/83/67/1007398367.db2.gz CNCAEPZXLVNPBK-UHFFFAOYSA-N 1 0 401.470 3.501 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000517112226 1007425664 /nfs/dbraw/zinc/42/56/64/1007425664.db2.gz YWFHEEAAPYHNNJ-UHFFFAOYSA-N 1 0 422.529 3.624 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000539189994 1007489438 /nfs/dbraw/zinc/48/94/38/1007489438.db2.gz JIAYQMDFAQJJBU-UHFFFAOYSA-N 1 0 420.513 3.587 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535465542 1007529151 /nfs/dbraw/zinc/52/91/51/1007529151.db2.gz ANYBOZFCWWDYOR-HRAATJIYSA-N 1 0 403.548 3.539 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N(CC[NH+](C)C)C2CCCC2)nnc1-c1ccco1 ZINC000533198542 1007531284 /nfs/dbraw/zinc/53/12/84/1007531284.db2.gz SRMATCLRDDYEEL-UHFFFAOYSA-N 1 0 417.579 3.539 20 30 HHEDRO N#CCCCOc1cccc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000533210629 1007538292 /nfs/dbraw/zinc/53/82/92/1007538292.db2.gz BRMUIVODCCVFCD-NRFANRHFSA-N 1 0 406.530 3.679 20 30 HHEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1OCC(=O)N1CCCC1 ZINC000539252234 1007545128 /nfs/dbraw/zinc/54/51/28/1007545128.db2.gz IZWBGLLGEWYPTH-OAQYLSRUSA-N 1 0 407.514 3.809 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000533221259 1007545336 /nfs/dbraw/zinc/54/53/36/1007545336.db2.gz RXMSBHNIGXYSME-HXUWFJFHSA-N 1 0 408.521 3.669 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000533222960 1007547039 /nfs/dbraw/zinc/54/70/39/1007547039.db2.gz WEIQABXKSUSVCE-FQEVSTJZSA-N 1 0 422.598 3.731 20 30 HHEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)cc1OC ZINC000539258902 1007553380 /nfs/dbraw/zinc/55/33/80/1007553380.db2.gz JBSPZJRDVGBKRM-YKSBVNFPSA-N 1 0 409.530 3.632 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000539259272 1007554370 /nfs/dbraw/zinc/55/43/70/1007554370.db2.gz BPOUFGLVQLUUJB-OALUTQOASA-N 1 0 417.513 3.867 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000517320525 1007564251 /nfs/dbraw/zinc/56/42/51/1007564251.db2.gz FBUOJPXPGNTXPF-UHFFFAOYSA-N 1 0 411.493 3.869 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)c1C#N ZINC000535509962 1007564838 /nfs/dbraw/zinc/56/48/38/1007564838.db2.gz DRHCUHSDSVHBAT-UHFFFAOYSA-N 1 0 422.436 3.623 20 30 HHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000539276976 1007571244 /nfs/dbraw/zinc/57/12/44/1007571244.db2.gz SEEIURSXXBKFSD-OXQOHEQNSA-N 1 0 411.477 3.973 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000539288997 1007586523 /nfs/dbraw/zinc/58/65/23/1007586523.db2.gz HGBDVOTZWNELBS-UHFFFAOYSA-N 1 0 400.498 3.616 20 30 HHEDRO CC1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 ZINC000533302127 1007619206 /nfs/dbraw/zinc/61/92/06/1007619206.db2.gz YOLREGPTSFYOGP-SFHVURJKSA-N 1 0 412.578 3.868 20 30 HHEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539363564 1007666672 /nfs/dbraw/zinc/66/66/72/1007666672.db2.gz OEMDVCDHHCHPGW-SFTDATJTSA-N 1 0 408.571 3.603 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000517465063 1007689785 /nfs/dbraw/zinc/68/97/85/1007689785.db2.gz TWXVDFXMXMLCTI-KRWDZBQOSA-N 1 0 416.591 3.648 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000517468079 1007693483 /nfs/dbraw/zinc/69/34/83/1007693483.db2.gz HWHATFWUIOIIKX-SJORKVTESA-N 1 0 416.591 3.504 20 30 HHEDRO CCC[N@H+](CCOc1ccc(C#N)cc1OC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000533381348 1007694378 /nfs/dbraw/zinc/69/43/78/1007694378.db2.gz NZUFMKJRKDKYCC-UHFFFAOYSA-N 1 0 423.561 3.734 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535675380 1007699218 /nfs/dbraw/zinc/69/92/18/1007699218.db2.gz LLYNFFPTAHNFPO-IERDGZPVSA-N 1 0 401.869 3.539 20 30 HHEDRO COCCCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000533431982 1007744640 /nfs/dbraw/zinc/74/46/40/1007744640.db2.gz TUTDFYFAQBNXTI-INIZCTEOSA-N 1 0 419.591 3.591 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000535708265 1007748054 /nfs/dbraw/zinc/74/80/54/1007748054.db2.gz RDSAFFRVBHHEKX-UHFFFAOYSA-N 1 0 400.454 3.693 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1F ZINC000535710887 1007750170 /nfs/dbraw/zinc/75/01/70/1007750170.db2.gz PKBJLTUBPYJQPS-UHFFFAOYSA-N 1 0 407.445 3.861 20 30 HHEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CC1 ZINC000533447284 1007762175 /nfs/dbraw/zinc/76/21/75/1007762175.db2.gz CLOFSISAVNVOCL-UHFFFAOYSA-N 1 0 421.589 3.770 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533504318 1007817407 /nfs/dbraw/zinc/81/74/07/1007817407.db2.gz ZLBKEOGQSGTEFE-WMZOPIPTSA-N 1 0 400.498 3.868 20 30 HHEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000533508220 1007824551 /nfs/dbraw/zinc/82/45/51/1007824551.db2.gz PLJDGJOBRMTGCI-CVEARBPZSA-N 1 0 403.482 3.934 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000533509913 1007828055 /nfs/dbraw/zinc/82/80/55/1007828055.db2.gz SHECJSNVWAEZGO-GOSISDBHSA-N 1 0 423.492 3.560 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000533512033 1007830447 /nfs/dbraw/zinc/83/04/47/1007830447.db2.gz SNWDOSHWVVEQOE-CGXNFDGLSA-N 1 0 412.578 3.668 20 30 HHEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000533530599 1007851843 /nfs/dbraw/zinc/85/18/43/1007851843.db2.gz QWHATWHWWLRDCE-UHFFFAOYSA-N 1 0 403.526 3.840 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000517841889 1008007443 /nfs/dbraw/zinc/00/74/43/1008007443.db2.gz WIEZBGNZGFEKLA-UHFFFAOYSA-N 1 0 422.529 3.833 20 30 HHEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C2)CC1 ZINC000539797930 1008102269 /nfs/dbraw/zinc/10/22/69/1008102269.db2.gz FIYVHZJOIGZDMK-NRFANRHFSA-N 1 0 418.541 3.591 20 30 HHEDRO C[C@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000539824139 1008118434 /nfs/dbraw/zinc/11/84/34/1008118434.db2.gz YNQMYMYODATODE-HFZDXXHNSA-N 1 0 418.585 3.595 20 30 HHEDRO C=CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831183 1008124304 /nfs/dbraw/zinc/12/43/04/1008124304.db2.gz AXEJBJYURMNIQH-GOSISDBHSA-N 1 0 413.485 3.994 20 30 HHEDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000533989974 1008251644 /nfs/dbraw/zinc/25/16/44/1008251644.db2.gz PJBYWKZSHJMHBL-UHFFFAOYSA-N 1 0 409.555 3.628 20 30 HHEDRO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000540059717 1008265300 /nfs/dbraw/zinc/26/53/00/1008265300.db2.gz RWEXMXJLQWGRFV-SFHVURJKSA-N 1 0 407.562 3.967 20 30 HHEDRO CC[C@H](CNC(=O)N(C)CCOCc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000518430209 1008302037 /nfs/dbraw/zinc/30/20/37/1008302037.db2.gz OEFRQEFWEDCLOH-XMMPIXPASA-N 1 0 420.557 3.553 20 30 HHEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(N2CCCS2(=O)=O)c1 ZINC000540175421 1008323154 /nfs/dbraw/zinc/32/31/54/1008323154.db2.gz HZMYFMYIVCAEPI-QGZVFWFLSA-N 1 0 415.584 3.682 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)ccc1S(C)(=O)=O ZINC000540186543 1008327684 /nfs/dbraw/zinc/32/76/84/1008327684.db2.gz FYDKTZBOMMIGAY-AWEZNQCLSA-N 1 0 411.445 3.820 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nnc(-c3ccccc3C)n2CC)CC1 ZINC000518496008 1008328242 /nfs/dbraw/zinc/32/82/42/1008328242.db2.gz DFVNEUHIQGAFDS-UHFFFAOYSA-N 1 0 413.591 3.522 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000518501155 1008329570 /nfs/dbraw/zinc/32/95/70/1008329570.db2.gz WLBYZFZWEAQCIM-UHFFFAOYSA-N 1 0 417.351 3.632 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000540327619 1008381705 /nfs/dbraw/zinc/38/17/05/1008381705.db2.gz KAPPUWZYHJRTCA-SFHVURJKSA-N 1 0 421.522 3.657 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000518675670 1008387827 /nfs/dbraw/zinc/38/78/27/1008387827.db2.gz LJPKAMWNIYKKFS-APWZRJJASA-N 1 0 416.591 3.504 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC000540343696 1008390526 /nfs/dbraw/zinc/39/05/26/1008390526.db2.gz FNDPWRMEUBYBSB-GOSISDBHSA-N 1 0 415.559 3.708 20 30 HHEDRO O=C(C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540389580 1008412772 /nfs/dbraw/zinc/41/27/72/1008412772.db2.gz PBXOVXOHPMDTEM-KNQAVFIVSA-N 1 0 416.443 3.541 20 30 HHEDRO O=C(C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540389582 1008412827 /nfs/dbraw/zinc/41/28/27/1008412827.db2.gz PBXOVXOHPMDTEM-UGKGYDQZSA-N 1 0 416.443 3.541 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000518750419 1008413492 /nfs/dbraw/zinc/41/34/92/1008413492.db2.gz NRWWHUHJLMMMFP-DLBZAZTESA-N 1 0 416.591 3.646 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000518789434 1008421199 /nfs/dbraw/zinc/42/11/99/1008421199.db2.gz SPVOFFWZVBAZLH-UHFFFAOYSA-N 1 0 418.371 3.679 20 30 HHEDRO C=CCOc1cccnc1C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540423970 1008427153 /nfs/dbraw/zinc/42/71/53/1008427153.db2.gz NZWUXGOMWPPSEB-HXUWFJFHSA-N 1 0 417.513 3.851 20 30 HHEDRO CC(=O)CCc1ccc(OCc2cccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2)cc1 ZINC000518817355 1008431294 /nfs/dbraw/zinc/43/12/94/1008431294.db2.gz SXZHRMWFKXPKCV-UHFFFAOYSA-N 1 0 419.525 3.505 20 30 HHEDRO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000540511960 1008462252 /nfs/dbraw/zinc/46/22/52/1008462252.db2.gz FQQAWEIDDFWNRG-YLJYHZDGSA-N 1 0 414.550 3.679 20 30 HHEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000540554411 1008479125 /nfs/dbraw/zinc/47/91/25/1008479125.db2.gz VWPMDCJJSYFGCG-NOZRDPDXSA-N 1 0 420.532 3.666 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519020733 1008503202 /nfs/dbraw/zinc/50/32/02/1008503202.db2.gz RHOYHZWTHHTKEN-PTUXOGIPSA-N 1 0 405.542 3.589 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000519051030 1008511601 /nfs/dbraw/zinc/51/16/01/1008511601.db2.gz MDVHPVIDIYVWKA-PZJWPPBQSA-N 1 0 412.578 3.567 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000519088805 1008526600 /nfs/dbraw/zinc/52/66/00/1008526600.db2.gz ROFXROYBGGXYHF-MSOLQXFVSA-N 1 0 420.513 3.526 20 30 HHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542958141 1008529928 /nfs/dbraw/zinc/52/99/28/1008529928.db2.gz ZWDPZBDMRPNGCI-UHFFFAOYSA-N 1 0 400.502 3.715 20 30 HHEDRO CS[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1[NH+](C)C ZINC000545421711 1008530860 /nfs/dbraw/zinc/53/08/60/1008530860.db2.gz CLEYIGAWBVTAFE-FGZHOGPDSA-N 1 0 424.570 3.841 20 30 HHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542964083 1008537449 /nfs/dbraw/zinc/53/74/49/1008537449.db2.gz CVLDKIULBVLLRU-MRXNPFEDSA-N 1 0 400.914 3.735 20 30 HHEDRO C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548962906 1008545112 /nfs/dbraw/zinc/54/51/12/1008545112.db2.gz DPHPXQBLVNFAFB-FQEVSTJZSA-N 1 0 417.557 3.833 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CC1 ZINC000519270318 1008679408 /nfs/dbraw/zinc/67/94/08/1008679408.db2.gz HDYKADRKYXXFIM-PUHATCMVSA-N 1 0 409.574 3.617 20 30 HHEDRO C=C(C)C[NH+]1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000519272547 1008682079 /nfs/dbraw/zinc/68/20/79/1008682079.db2.gz UDYSCMYPERZUSF-UHFFFAOYSA-N 1 0 401.248 3.652 20 30 HHEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549116270 1008682797 /nfs/dbraw/zinc/68/27/97/1008682797.db2.gz MSEIHVGHEPRPBG-LPHOPBHVSA-N 1 0 422.476 3.791 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549117261 1008683927 /nfs/dbraw/zinc/68/39/27/1008683927.db2.gz VSDDYMITKNZCRV-QUCCMNQESA-N 1 0 408.949 3.745 20 30 HHEDRO COc1cccc([C@H]2[C@@H]([NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)CCN2C2CC2)c1 ZINC000549116458 1008684055 /nfs/dbraw/zinc/68/40/55/1008684055.db2.gz PLTXVGYLYSFJFE-REWPJTCUSA-N 1 0 424.932 3.726 20 30 HHEDRO COc1cc(OC)cc(C2(F)CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000549118255 1008684941 /nfs/dbraw/zinc/68/49/41/1008684941.db2.gz DYYHMYORDXGLDJ-UHFFFAOYSA-N 1 0 417.506 3.926 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000543120251 1008694290 /nfs/dbraw/zinc/69/42/90/1008694290.db2.gz BYPZKPLJPSESPI-UHFFFAOYSA-N 1 0 412.921 3.599 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000519283665 1008695730 /nfs/dbraw/zinc/69/57/30/1008695730.db2.gz WAYLFHHIBRSODZ-UHFFFAOYSA-N 1 0 405.489 3.610 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000519287401 1008698883 /nfs/dbraw/zinc/69/88/83/1008698883.db2.gz BUYSIAAOWNEVER-UHFFFAOYSA-N 1 0 404.408 3.523 20 30 HHEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CCc2ccccc2)cc1 ZINC000549181483 1008754244 /nfs/dbraw/zinc/75/42/44/1008754244.db2.gz MOUBUGLBEUUQNK-UHFFFAOYSA-N 1 0 412.541 3.734 20 30 HHEDRO Cc1cc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)nn1-c1cccc(C#N)c1 ZINC000545691361 1008785267 /nfs/dbraw/zinc/78/52/67/1008785267.db2.gz WWPCZEZZVMPRJY-UHFFFAOYSA-N 1 0 414.469 3.710 20 30 HHEDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000543247802 1008816790 /nfs/dbraw/zinc/81/67/90/1008816790.db2.gz JMEONHDFUQHKNU-QZTJIDSGSA-N 1 0 412.578 3.724 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000519504200 1008876143 /nfs/dbraw/zinc/87/61/43/1008876143.db2.gz DASFYWCITXCJNT-GOSISDBHSA-N 1 0 420.513 3.779 20 30 HHEDRO N#CCCn1cc(/C=C\c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)c2ccccc21 ZINC000545847782 1008934324 /nfs/dbraw/zinc/93/43/24/1008934324.db2.gz ILNXZLCUYDMLQJ-CLUNNQHJSA-N 1 0 400.486 3.964 20 30 HHEDRO COc1cccc([C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[NH+]2CCCC2)c1 ZINC000549404456 1008991934 /nfs/dbraw/zinc/99/19/34/1008991934.db2.gz REFYWPIQYKXBML-SFHVURJKSA-N 1 0 418.419 3.548 20 30 HHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000519783701 1009004230 /nfs/dbraw/zinc/00/42/30/1009004230.db2.gz AOUHSSFVPODRCG-YJBOKZPZSA-N 1 0 401.942 3.930 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000543447877 1009034142 /nfs/dbraw/zinc/03/41/42/1009034142.db2.gz DEJWDEMJMHNBLV-LAUBAEHRSA-N 1 0 407.493 3.514 20 30 HHEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000549481237 1009080677 /nfs/dbraw/zinc/08/06/77/1009080677.db2.gz NPXJHIOVDZZFNJ-QFIPXVFZSA-N 1 0 422.577 3.552 20 30 HHEDRO CS[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1[NH+](C)C ZINC000546128272 1009152828 /nfs/dbraw/zinc/15/28/28/1009152828.db2.gz NYYCYZZPEISWHB-FCHUYYIVSA-N 1 0 424.570 3.841 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2Cc2ccccc2)c1 ZINC000549540927 1009157351 /nfs/dbraw/zinc/15/73/51/1009157351.db2.gz YTBBSUPFXXVVEG-UHFFFAOYSA-N 1 0 412.541 3.930 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C1 ZINC000549594667 1009222036 /nfs/dbraw/zinc/22/20/36/1009222036.db2.gz IFHARDSXUKRDKN-RBBKRZOGSA-N 1 0 422.577 3.554 20 30 HHEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549637078 1009263153 /nfs/dbraw/zinc/26/31/53/1009263153.db2.gz JUQUPKRHIVWULV-UHFFFAOYSA-N 1 0 401.580 3.686 20 30 HHEDRO C=C(C)Cn1c(CC(C)C)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549655382 1009283034 /nfs/dbraw/zinc/28/30/34/1009283034.db2.gz ULMLVWKGCIEDJW-BGYRXZFFSA-N 1 0 403.615 3.768 20 30 HHEDRO COc1cc(-c2noc(CSCc3ccc(C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000546277742 1009300445 /nfs/dbraw/zinc/30/04/45/1009300445.db2.gz CJKWHGUGPQRQGH-UHFFFAOYSA-N 1 0 424.526 3.991 20 30 HHEDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000520173520 1009318475 /nfs/dbraw/zinc/31/84/75/1009318475.db2.gz OBCSCEPICKHHIJ-UHFFFAOYSA-N 1 0 404.514 3.782 20 30 HHEDRO C=CC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195011 1009334399 /nfs/dbraw/zinc/33/43/99/1009334399.db2.gz PJOKGJFBQMJQRS-OAHLLOKOSA-N 1 0 411.893 3.836 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000520197991 1009336657 /nfs/dbraw/zinc/33/66/57/1009336657.db2.gz WSQVWTSBOBIOAW-KRWDZBQOSA-N 1 0 424.574 3.549 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000549755643 1009373821 /nfs/dbraw/zinc/37/38/21/1009373821.db2.gz VCRBPAVKLKBENS-UHFFFAOYSA-N 1 0 406.299 3.873 20 30 HHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543884697 1009460696 /nfs/dbraw/zinc/46/06/96/1009460696.db2.gz MENCCBLXVIHXJB-UHFFFAOYSA-N 1 0 420.492 3.915 20 30 HHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000543889829 1009468345 /nfs/dbraw/zinc/46/83/45/1009468345.db2.gz VPRYEXSKJWWWRZ-UHFFFAOYSA-N 1 0 412.494 3.540 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C[NH+]1CCCCC1 ZINC000543891487 1009470123 /nfs/dbraw/zinc/47/01/23/1009470123.db2.gz FXOWUCXLFUUSCK-HNNXBMFYSA-N 1 0 400.914 3.641 20 30 HHEDRO CC(C)(C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000546581461 1009604905 /nfs/dbraw/zinc/60/49/05/1009604905.db2.gz XKTBZCFBFTYTCZ-UHFFFAOYSA-N 1 0 424.476 3.618 20 30 HHEDRO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(CC#N)cc4)CC3)cc2NC1=O ZINC000544072261 1009676233 /nfs/dbraw/zinc/67/62/33/1009676233.db2.gz SMWJHXFYXICVDP-INIZCTEOSA-N 1 0 403.482 3.567 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2OCC)cc1OCC ZINC000546766454 1009733530 /nfs/dbraw/zinc/73/35/30/1009733530.db2.gz RMOGSVDVRFOUGG-AEFFLSMTSA-N 1 0 414.340 3.696 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)cc1Cl ZINC000550179023 1009756777 /nfs/dbraw/zinc/75/67/77/1009756777.db2.gz ZSUJQCPYBFTWRO-UHFFFAOYSA-N 1 0 401.869 3.671 20 30 HHEDRO CC[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OCCOC)CC[N@@H+]1Cc1ccccc1 ZINC000546818886 1009778349 /nfs/dbraw/zinc/77/83/49/1009778349.db2.gz KHXBMVXITAEAKU-OAQYLSRUSA-N 1 0 422.529 3.712 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)cc1Cl ZINC000550274702 1009824955 /nfs/dbraw/zinc/82/49/55/1009824955.db2.gz QWYPKNHXTAPHSH-UHFFFAOYSA-N 1 0 401.869 3.671 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000550317451 1009858121 /nfs/dbraw/zinc/85/81/21/1009858121.db2.gz YYKQXARBESGMBZ-HSZRJFAPSA-N 1 0 405.542 3.591 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544309993 1009932708 /nfs/dbraw/zinc/93/27/08/1009932708.db2.gz RIIKKWIYBGQIMX-WIYYLYMNSA-N 1 0 422.529 3.616 20 30 HHEDRO Cc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n2c3ccccc3nc2c1C#N ZINC000544414751 1010032301 /nfs/dbraw/zinc/03/23/01/1010032301.db2.gz DXBVQSXIUHXMOD-UHFFFAOYSA-N 1 0 416.573 3.522 20 30 HHEDRO N#Cc1cc2c(nc1NC[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CCC2 ZINC000520999762 1010037788 /nfs/dbraw/zinc/03/77/88/1010037788.db2.gz XWVDWHXXLAYCRA-JOCHJYFZSA-N 1 0 402.542 3.783 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)CCCC2)CC1 ZINC000521062178 1010081916 /nfs/dbraw/zinc/08/19/16/1010081916.db2.gz NKZFZBRKTUWLNK-UHFFFAOYSA-N 1 0 401.555 3.660 20 30 HHEDRO C=CCN1C(=O)c2ccc(-c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)cc2C1=O ZINC000544923002 1010495520 /nfs/dbraw/zinc/49/55/20/1010495520.db2.gz INFZPTAVPLLQRN-UHFFFAOYSA-N 1 0 414.465 3.781 20 30 HHEDRO Cc1cc(C#N)cnc1-c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000551383584 1010551469 /nfs/dbraw/zinc/55/14/69/1010551469.db2.gz PGZDPGSKDLZMMN-UHFFFAOYSA-N 1 0 408.893 3.774 20 30 HHEDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000551420298 1010576142 /nfs/dbraw/zinc/57/61/42/1010576142.db2.gz WMNKJIPIXUYOPX-MRXNPFEDSA-N 1 0 416.591 3.598 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521740436 1010585480 /nfs/dbraw/zinc/58/54/80/1010585480.db2.gz ZNRMDMFFWMVZFG-IEBWSBKVSA-N 1 0 422.554 3.583 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000521746124 1010589257 /nfs/dbraw/zinc/58/92/57/1010589257.db2.gz AXELLEYZDIEXNS-KRWDZBQOSA-N 1 0 402.564 3.705 20 30 HHEDRO Cc1c2c(nc(S[C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c1C#N)CCC2 ZINC000521799330 1010627084 /nfs/dbraw/zinc/62/70/84/1010627084.db2.gz WMNOBMLPJJFSQP-HKUYNNGSSA-N 1 0 420.582 3.622 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]C3(c4ccc(Br)cc4)CCOCC3)n2c1 ZINC000551529900 1010641061 /nfs/dbraw/zinc/64/10/61/1010641061.db2.gz KCXXJRVSBUSUQG-UHFFFAOYSA-N 1 0 411.303 3.764 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000522078133 1010795891 /nfs/dbraw/zinc/79/58/91/1010795891.db2.gz NCVRSSFLEPXTMM-UHFFFAOYSA-N 1 0 418.541 3.606 20 30 HHEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1 ZINC000522219029 1010872406 /nfs/dbraw/zinc/87/24/06/1010872406.db2.gz KGLAGFMFLFUXMW-UHFFFAOYSA-N 1 0 422.533 3.698 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000522470667 1011032630 /nfs/dbraw/zinc/03/26/30/1011032630.db2.gz IEJRNLKQGWNSHI-LAUBAEHRSA-N 1 0 408.546 3.830 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000540591689 1011248660 /nfs/dbraw/zinc/24/86/60/1011248660.db2.gz KJZZEPXMEQKETR-GOTSBHOMSA-N 1 0 408.521 3.584 20 30 HHEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)s1 ZINC000540601141 1011256037 /nfs/dbraw/zinc/25/60/37/1011256037.db2.gz YYXMAQXBFXDDAY-UHFFFAOYSA-N 1 0 408.527 3.664 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000536170867 1011302039 /nfs/dbraw/zinc/30/20/39/1011302039.db2.gz VTBYYNLYZJZGGP-PMACEKPBSA-N 1 0 401.432 3.802 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)c(OC)c1 ZINC000540707950 1011359085 /nfs/dbraw/zinc/35/90/85/1011359085.db2.gz JTJOFTRJCSIZJP-OAHLLOKOSA-N 1 0 411.477 3.670 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)c(-c2ccccc2)n1 ZINC000540715467 1011366202 /nfs/dbraw/zinc/36/62/02/1011366202.db2.gz NYWRBVIWIFJHMI-IBGZPJMESA-N 1 0 421.932 3.551 20 30 HHEDRO C=CCNC(=O)C[NH2+][C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000540779063 1011437071 /nfs/dbraw/zinc/43/70/71/1011437071.db2.gz SABIWPISENNDSX-AWEZNQCLSA-N 1 0 406.349 3.842 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)sc2c1CCCC2 ZINC000536347348 1011551018 /nfs/dbraw/zinc/55/10/18/1011551018.db2.gz CDVHXZRMRKFCNB-HOTGVXAUSA-N 1 0 419.616 3.814 20 30 HHEDRO N#CC1(NC(=O)CCOc2ccc(F)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000540891900 1011566370 /nfs/dbraw/zinc/56/63/70/1011566370.db2.gz RTMIFJUTMBEIGM-UHFFFAOYSA-N 1 0 415.896 3.923 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000536375656 1011584741 /nfs/dbraw/zinc/58/47/41/1011584741.db2.gz YHPLDTGXNXACRO-FCHUYYIVSA-N 1 0 411.505 3.590 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000540981646 1011616458 /nfs/dbraw/zinc/61/64/58/1011616458.db2.gz MZFGEZQHINOATC-NRFANRHFSA-N 1 0 418.476 3.842 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c1C#N ZINC000541051266 1011691718 /nfs/dbraw/zinc/69/17/18/1011691718.db2.gz HESZCYAMRKNAAL-JOCHJYFZSA-N 1 0 420.488 3.675 20 30 HHEDRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541084369 1011725617 /nfs/dbraw/zinc/72/56/17/1011725617.db2.gz GWVMQEMYYJPJLA-ZWKOTPCHSA-N 1 0 419.525 3.676 20 30 HHEDRO CC1CCC([NH+]2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)CC1 ZINC000541096916 1011742624 /nfs/dbraw/zinc/74/26/24/1011742624.db2.gz DAFSARKDRNXUSX-UHFFFAOYSA-N 1 0 410.497 3.611 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[NH+]1CCC(C)CC1 ZINC000541098329 1011744450 /nfs/dbraw/zinc/74/44/50/1011744450.db2.gz JUKPBXHLUXEIQO-HNNXBMFYSA-N 1 0 400.914 3.639 20 30 HHEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000541098875 1011745127 /nfs/dbraw/zinc/74/51/27/1011745127.db2.gz QFOKKICCJHOQDH-UHFFFAOYSA-N 1 0 414.941 3.983 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[NH+](C)C)cc1 ZINC000541104445 1011751737 /nfs/dbraw/zinc/75/17/37/1011751737.db2.gz BTFFUKJJUIMTPS-OAQYLSRUSA-N 1 0 420.492 3.870 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[NH+]2CCCC2)o1 ZINC000541105248 1011752298 /nfs/dbraw/zinc/75/22/98/1011752298.db2.gz IFOQZFZCMCCFRZ-IBGZPJMESA-N 1 0 422.464 3.743 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)C1 ZINC000541105301 1011752592 /nfs/dbraw/zinc/75/25/92/1011752592.db2.gz JLPITFFTQQNHJP-WMLDXEAASA-N 1 0 400.914 3.591 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000536658802 1011805825 /nfs/dbraw/zinc/80/58/25/1011805825.db2.gz MLULPRUCBCNEQQ-INIZCTEOSA-N 1 0 409.368 3.940 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000536658803 1011806682 /nfs/dbraw/zinc/80/66/82/1011806682.db2.gz MLULPRUCBCNEQQ-MRXNPFEDSA-N 1 0 409.368 3.940 20 30 HHEDRO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)ccc1OCC(F)(F)F ZINC000523337343 1011812589 /nfs/dbraw/zinc/81/25/89/1011812589.db2.gz VGFDGLSUSQDGPC-INIZCTEOSA-N 1 0 418.419 3.745 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000523343188 1011822524 /nfs/dbraw/zinc/82/25/24/1011822524.db2.gz QXWTUUFZLGUIMQ-UHFFFAOYSA-N 1 0 408.521 3.892 20 30 HHEDRO C=CCc1cc(C[N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)cc(OC)c1O ZINC000536708837 1011880522 /nfs/dbraw/zinc/88/05/22/1011880522.db2.gz WWNLWKGTYJBSQM-UHFFFAOYSA-N 1 0 412.530 3.859 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000551751277 1011910746 /nfs/dbraw/zinc/91/07/46/1011910746.db2.gz DRPRRCXIJNVLRD-KBXCAEBGSA-N 1 0 402.420 3.755 20 30 HHEDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC1CC1 ZINC000536736362 1011915530 /nfs/dbraw/zinc/91/55/30/1011915530.db2.gz KCHJTADYNCQZEC-KRWDZBQOSA-N 1 0 400.567 3.929 20 30 HHEDRO C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(C#N)c(F)c1 ZINC000551780138 1011942069 /nfs/dbraw/zinc/94/20/69/1011942069.db2.gz WJJKIMPWCGSYRK-NSHDSACASA-N 1 0 400.397 3.970 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(NC(=O)c4cccnc4)cc3)CC2)cc1 ZINC000552046705 1012067147 /nfs/dbraw/zinc/06/71/47/1012067147.db2.gz PDVLOSPWJFKTQD-UHFFFAOYSA-N 1 0 411.509 3.964 20 30 HHEDRO N#CCCn1cc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000536906364 1012169874 /nfs/dbraw/zinc/16/98/74/1012169874.db2.gz SOGAXHDSOIXCEB-UHFFFAOYSA-N 1 0 413.525 3.858 20 30 HHEDRO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000552191690 1012204458 /nfs/dbraw/zinc/20/44/58/1012204458.db2.gz OOPQMTLAOFFYCI-JPYJTQIMSA-N 1 0 402.546 3.642 20 30 HHEDRO CCc1cccc2c1OCC[C@@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000523626615 1012207750 /nfs/dbraw/zinc/20/77/50/1012207750.db2.gz KRNFVJAVSJFYBE-QFIPXVFZSA-N 1 0 406.530 3.718 20 30 HHEDRO C=CC[C@@H]1N(C(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1(C)C ZINC000552196496 1012208154 /nfs/dbraw/zinc/20/81/54/1012208154.db2.gz HYGJQNFVWPPUEF-ICSRJNTNSA-N 1 0 417.619 3.670 20 30 HHEDRO COCCN(C)CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000552247607 1012257847 /nfs/dbraw/zinc/25/78/47/1012257847.db2.gz VHUHABAUONMXSO-RUZDIDTESA-N 1 0 406.574 3.826 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](CO)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000552249989 1012259940 /nfs/dbraw/zinc/25/99/40/1012259940.db2.gz RSJFIHXMUNKQKL-QGZVFWFLSA-N 1 0 401.913 3.760 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000552285608 1012297643 /nfs/dbraw/zinc/29/76/43/1012297643.db2.gz VCBWRQPLWXXWBC-UHFFFAOYSA-N 1 0 419.573 3.711 20 30 HHEDRO COc1ccc([C@H](CCC#N)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000552333916 1012344242 /nfs/dbraw/zinc/34/42/42/1012344242.db2.gz SMGBXCOXPJWSAE-IBGZPJMESA-N 1 0 400.910 3.916 20 30 HHEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(-c2ccccc2Br)s1 ZINC000552336628 1012347832 /nfs/dbraw/zinc/34/78/32/1012347832.db2.gz HEWCQICGEXRTAG-LBPRGKRZSA-N 1 0 402.321 3.992 20 30 HHEDRO COC(=O)C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000541601438 1012397443 /nfs/dbraw/zinc/39/74/43/1012397443.db2.gz CLLVLPPZPNBWFE-IBGZPJMESA-N 1 0 405.926 3.688 20 30 HHEDRO C[S@@](=O)C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000537160451 1012558131 /nfs/dbraw/zinc/55/81/31/1012558131.db2.gz RLTSUUOEZBPTLE-KWMCUTETSA-N 1 0 415.584 3.537 20 30 HHEDRO Cn1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(-c2ccccc2)n1 ZINC000537164805 1012566508 /nfs/dbraw/zinc/56/65/08/1012566508.db2.gz HWCDJHLLAZFTRU-UHFFFAOYSA-N 1 0 408.509 3.829 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000523899931 1012608933 /nfs/dbraw/zinc/60/89/33/1012608933.db2.gz OFRACVODOYZDJE-GOSISDBHSA-N 1 0 407.514 3.532 20 30 HHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000541796545 1012672213 /nfs/dbraw/zinc/67/22/13/1012672213.db2.gz KBJSDCPQXPBXBC-CQSZACIVSA-N 1 0 400.914 3.591 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000541843259 1012731375 /nfs/dbraw/zinc/73/13/75/1012731375.db2.gz CANSBKSUPGJQDK-XZOQPEGZSA-N 1 0 421.566 3.789 20 30 HHEDRO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000537288028 1012745376 /nfs/dbraw/zinc/74/53/76/1012745376.db2.gz ZTTPKYNQMPOPMT-CVDCTZTESA-N 1 0 408.521 3.502 20 30 HHEDRO COc1ccc([C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N2CCCC2)cc1 ZINC000537296645 1012753522 /nfs/dbraw/zinc/75/35/22/1012753522.db2.gz DPSDSUFWECJWDD-AREMUKBSSA-N 1 0 418.585 3.958 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)C2)c(F)c1 ZINC000552873475 1012880757 /nfs/dbraw/zinc/88/07/57/1012880757.db2.gz XEKGIZRCGBQLAF-NRFANRHFSA-N 1 0 412.553 3.638 20 30 HHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552895096 1012897581 /nfs/dbraw/zinc/89/75/81/1012897581.db2.gz CZSWKRMAZNMJMW-KRWDZBQOSA-N 1 0 402.970 3.665 20 30 HHEDRO C[C@@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019532 1012910718 /nfs/dbraw/zinc/91/07/18/1012910718.db2.gz XECKSRPFWOYZSP-LJQANCHMSA-N 1 0 412.541 3.618 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000524130438 1012913484 /nfs/dbraw/zinc/91/34/84/1012913484.db2.gz CIJGHAATEUJKGP-UHFFFAOYSA-N 1 0 403.482 3.934 20 30 HHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542033100 1012930923 /nfs/dbraw/zinc/93/09/23/1012930923.db2.gz LWYXNBFKOPDQEY-GJZGRUSLSA-N 1 0 400.914 3.782 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1cccs1 ZINC000542034062 1012933107 /nfs/dbraw/zinc/93/31/07/1012933107.db2.gz ZJUHNNIPGISAQF-INIZCTEOSA-N 1 0 414.922 3.883 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000553016914 1012991940 /nfs/dbraw/zinc/99/19/40/1012991940.db2.gz KHCDSWDNWFXOFN-LJQANCHMSA-N 1 0 421.541 3.813 20 30 HHEDRO C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542084057 1013006514 /nfs/dbraw/zinc/00/65/14/1013006514.db2.gz CIOYZDQQCNBBFN-LJQANCHMSA-N 1 0 418.541 3.792 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@H](C)c2ccccc2)[n+]2cccc(C)c2)c1 ZINC000729669474 1071783300 /nfs/dbraw/zinc/78/33/00/1071783300.db2.gz FRMCODSMNMEBBE-MRXNPFEDSA-O 1 0 423.514 3.952 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)NC2CCCCC2)[n+]2cccc(C)c2)c1 ZINC000729670323 1071785037 /nfs/dbraw/zinc/78/50/37/1071785037.db2.gz OIMZMMONKLWFID-UHFFFAOYSA-O 1 0 401.508 3.523 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@@H](C)c2cccs2)[n+]2ccccc2)c1 ZINC000729670348 1071785095 /nfs/dbraw/zinc/78/50/95/1071785095.db2.gz PGYHRJVINBIHER-ZDUSSCGKSA-O 1 0 415.516 3.705 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccncc2Br)no1 ZINC001211975247 1071828933 /nfs/dbraw/zinc/82/89/33/1071828933.db2.gz APKCNHUNUUCDQM-BBRMVZONSA-N 1 0 409.328 3.972 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000729810122 1072126203 /nfs/dbraw/zinc/12/62/03/1072126203.db2.gz UOOBFIZFGGRHTO-LJQANCHMSA-N 1 0 405.523 3.881 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)c1C#N ZINC000760307398 1072236460 /nfs/dbraw/zinc/23/64/60/1072236460.db2.gz JDZVQLWIAIXGFQ-MRXNPFEDSA-N 1 0 404.518 3.713 20 30 HHEDRO COc1ccc(CCNC(NCc2ccc(N3CCCC3)nc2)=[NH+]C(C)(C)C)cc1 ZINC000912509308 1072244363 /nfs/dbraw/zinc/24/43/63/1072244363.db2.gz AZDPGXVXQUQDRX-UHFFFAOYSA-N 1 0 409.578 3.767 20 30 HHEDRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001691582371 1072489471 /nfs/dbraw/zinc/48/94/71/1072489471.db2.gz BJCINHBNMHSCBC-NRFANRHFSA-N 1 0 409.582 3.534 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1C[C@@H]1CCCOC1 ZINC001625997216 1072533024 /nfs/dbraw/zinc/53/30/24/1072533024.db2.gz TWVOQGLIUJFGBE-QHCPKHFHSA-N 1 0 422.573 3.607 20 30 HHEDRO N#Cc1cccc(N2CC[NH+](Cc3c(O)ccc4cc(Br)ccc43)CC2)n1 ZINC000760552405 1072573883 /nfs/dbraw/zinc/57/38/83/1072573883.db2.gz RRKWUHGJDGHBRZ-UHFFFAOYSA-N 1 0 423.314 3.897 20 30 HHEDRO CC(C)(C#N)CCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000571603603 1072677661 /nfs/dbraw/zinc/67/76/61/1072677661.db2.gz UTRUKLGWNWDERA-FCHUYYIVSA-N 1 0 411.571 3.514 20 30 HHEDRO CC(C)N1CC[NH+](C2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)CC2)CC1 ZINC000588008523 1072742901 /nfs/dbraw/zinc/74/29/01/1072742901.db2.gz PJPZDAAWODGPEM-UHFFFAOYSA-N 1 0 417.479 3.519 20 30 HHEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](Nc1ncc(N)cn1)c1ccnc2ccc(OC)cc21 ZINC001168381501 1072771655 /nfs/dbraw/zinc/77/16/55/1072771655.db2.gz HSUMNQLCYPALAG-GZVBHOEUSA-N 1 0 416.529 3.665 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571803701 1072858532 /nfs/dbraw/zinc/85/85/32/1072858532.db2.gz NEJUPIRNHSASBD-NFBKMPQASA-N 1 0 411.590 3.608 20 30 HHEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)c1ccco1 ZINC000571809759 1072860467 /nfs/dbraw/zinc/86/04/67/1072860467.db2.gz ZRKFDYQSCVXRTR-HXUWFJFHSA-N 1 0 420.561 3.619 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554945016 1072977867 /nfs/dbraw/zinc/97/78/67/1072977867.db2.gz AICMJYQZZNOGNW-MHECFPHRSA-N 1 0 407.489 3.931 20 30 HHEDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000588336548 1073047918 /nfs/dbraw/zinc/04/79/18/1073047918.db2.gz GPCMDYIBBQSUCJ-LJQANCHMSA-N 1 0 402.970 3.807 20 30 HHEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000555072682 1073133715 /nfs/dbraw/zinc/13/37/15/1073133715.db2.gz CWFHJLVFIQSXIN-MQVJKMGUSA-N 1 0 409.559 3.581 20 30 HHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000555105805 1073158273 /nfs/dbraw/zinc/15/82/73/1073158273.db2.gz FOWFOCGLBDXACE-JOCHJYFZSA-N 1 0 409.505 3.585 20 30 HHEDRO C[NH+](C)CCn1ncc(C(=O)NCc2ccc(C#N)c(Cl)c2)c1-c1ccccc1 ZINC000588732083 1073187839 /nfs/dbraw/zinc/18/78/39/1073187839.db2.gz WUNFECNTPMTWDL-UHFFFAOYSA-N 1 0 407.905 3.567 20 30 HHEDRO C[C@H]1[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000572196101 1073225619 /nfs/dbraw/zinc/22/56/19/1073225619.db2.gz JQPNKAOWOMSLLH-YADARESESA-N 1 0 418.541 3.774 20 30 HHEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000555249759 1073279713 /nfs/dbraw/zinc/27/97/13/1073279713.db2.gz ZTXWVSODBXVISP-WOJBJXKFSA-N 1 0 403.615 3.768 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000555240588 1073284430 /nfs/dbraw/zinc/28/44/30/1073284430.db2.gz QTJFQJNUHMHTGS-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298463 1073318320 /nfs/dbraw/zinc/31/83/20/1073318320.db2.gz OAKGYSXBVZRWQC-CYFREDJKSA-N 1 0 420.532 3.567 20 30 HHEDRO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000590041984 1073500590 /nfs/dbraw/zinc/50/05/90/1073500590.db2.gz KTHRUPJIELTCKO-DEOSSOPVSA-N 1 0 411.509 3.655 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000555597044 1073662769 /nfs/dbraw/zinc/66/27/69/1073662769.db2.gz ADGDJXDKILBOHM-OPAMFIHVSA-N 1 0 400.592 3.633 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)CC(C)C ZINC000590213264 1073685239 /nfs/dbraw/zinc/68/52/39/1073685239.db2.gz OCGQNAUTRGNXRW-HNNXBMFYSA-N 1 0 406.596 3.728 20 30 HHEDRO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCN(c2cnccc2C#N)CC1 ZINC000555685891 1073737552 /nfs/dbraw/zinc/73/75/52/1073737552.db2.gz HYLOBZNBEFJPBN-UHFFFAOYSA-N 1 0 400.530 3.759 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)Nc1ccccc1Nc1cc[nH+]cc1)c1ccccc1 ZINC000590541008 1073885010 /nfs/dbraw/zinc/88/50/10/1073885010.db2.gz XYLAEKJXWXGPSH-UHFFFAOYSA-N 1 0 413.481 3.913 20 30 HHEDRO C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000590541854 1073885801 /nfs/dbraw/zinc/88/58/01/1073885801.db2.gz WJABCFQHDHSDLO-OAQYLSRUSA-N 1 0 417.619 3.511 20 30 HHEDRO C=CCOc1cccc(NC(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000591502306 1074349862 /nfs/dbraw/zinc/34/98/62/1074349862.db2.gz XFDCHOFFEVFQOI-UHFFFAOYSA-N 1 0 408.546 3.533 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000592076596 1074688316 /nfs/dbraw/zinc/68/83/16/1074688316.db2.gz OBUZJMDVWYMORL-UHFFFAOYSA-N 1 0 418.541 3.772 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)CC1 ZINC000592080248 1074688852 /nfs/dbraw/zinc/68/88/52/1074688852.db2.gz UNHWARJAAWXXHG-UZLBHIALSA-N 1 0 405.970 3.641 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)CC1 ZINC000592293873 1074717591 /nfs/dbraw/zinc/71/75/91/1074717591.db2.gz QABXQDRNVQELIR-UHFFFAOYSA-N 1 0 410.518 3.722 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000574069334 1075159208 /nfs/dbraw/zinc/15/92/08/1075159208.db2.gz QVHXVCRBEHBHFH-UUOWRZLLSA-N 1 0 412.493 3.988 20 30 HHEDRO CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000761196089 1075585428 /nfs/dbraw/zinc/58/54/28/1075585428.db2.gz WFCHWHHUDLTTAW-UHFFFAOYSA-N 1 0 400.523 3.512 20 30 HHEDRO O=C(CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1)Nc1ccccc1 ZINC000328603985 569417168 /nfs/dbraw/zinc/41/71/68/569417168.db2.gz HZPDLUCYUMEZKG-OPAMFIHVSA-N 1 0 404.474 3.558 20 30 HHEDRO CCOC(=O)c1cc(C)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001164629900 719068467 /nfs/dbraw/zinc/06/84/67/719068467.db2.gz ZVMSCCTXRZIVID-UGKGYDQZSA-N 1 0 404.514 3.539 20 30 HHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628413 719068883 /nfs/dbraw/zinc/06/88/83/719068883.db2.gz RPWRDASOSHNTJU-PXNSSMCTSA-N 1 0 424.932 3.884 20 30 HHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc(C)c2C#N)CC3)cs1 ZINC001164691998 719808910 /nfs/dbraw/zinc/80/89/10/719808910.db2.gz FAPVUDIXCSHEIQ-UHFFFAOYSA-N 1 0 402.955 3.710 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3c(cc1C#N)CCCC3(C)C)C2 ZINC001164810289 720200287 /nfs/dbraw/zinc/20/02/87/720200287.db2.gz BGVLQZKFKVBCKY-BWKNWUBXSA-N 1 0 408.590 3.752 20 30 HHEDRO N#Cc1ccc(-c2cccs2)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736631 720582867 /nfs/dbraw/zinc/58/28/67/720582867.db2.gz PQBZNASVUZNSNE-UHFFFAOYSA-N 1 0 404.543 3.537 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(C#C[Si](C)(C)C)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835191 720640128 /nfs/dbraw/zinc/64/01/28/720640128.db2.gz AOGCATQFZWOTOB-XPWALMASSA-N 1 0 421.665 3.885 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)ccc1C#N)[C@@H]2C ZINC001164856994 720967958 /nfs/dbraw/zinc/96/79/58/720967958.db2.gz DSFRJRAZROQPNV-CYBMUJFWSA-N 1 0 408.884 3.769 20 30 HHEDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164897860 721513160 /nfs/dbraw/zinc/51/31/60/721513160.db2.gz GNZKIZBDXJVBIU-WMZOPIPTSA-N 1 0 400.885 3.705 20 30 HHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900084 721526062 /nfs/dbraw/zinc/52/60/62/721526062.db2.gz NWYFKYGETNCZFI-GDBMZVCRSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164906553 721562896 /nfs/dbraw/zinc/56/28/96/721562896.db2.gz JYNDKDJHUUSRSG-HIFRSBDPSA-N 1 0 407.276 3.741 20 30 HHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5c(C#N)c[nH]c5n4)CC3)C2)cc1 ZINC001164940936 721927413 /nfs/dbraw/zinc/92/74/13/721927413.db2.gz WVUXYKGOJCCBEA-UHFFFAOYSA-N 1 0 401.514 3.614 20 30 HHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(CC#N)cc4Cl)CC3)C2)cc1 ZINC001164940677 721932368 /nfs/dbraw/zinc/93/23/68/721932368.db2.gz WSMLJRYKHJTJQP-UHFFFAOYSA-N 1 0 410.949 3.981 20 30 HHEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955476 722021086 /nfs/dbraw/zinc/02/10/86/722021086.db2.gz IPEBDVFLMOMMHV-UHFFFAOYSA-N 1 0 410.525 3.903 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000301371236 970891636 /nfs/dbraw/zinc/89/16/36/970891636.db2.gz VJLNPONHMJJCKH-UHFFFAOYSA-N 1 0 417.469 3.736 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)C[C@H](C)O1 ZINC000301517300 970964162 /nfs/dbraw/zinc/96/41/62/970964162.db2.gz CFJMXBNMCXCJIG-IRXDYDNUSA-N 1 0 423.517 3.730 20 30 HHEDRO N#Cc1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)ccc1C(F)(F)F ZINC000302185789 971201327 /nfs/dbraw/zinc/20/13/27/971201327.db2.gz HSCRRSUHHMDAAN-QGZVFWFLSA-N 1 0 416.447 3.886 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043132 971472760 /nfs/dbraw/zinc/47/27/60/971472760.db2.gz SUENYBDRRDCBBV-XZOQPEGZSA-N 1 0 416.606 3.607 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000303060627 971482645 /nfs/dbraw/zinc/48/26/45/971482645.db2.gz LUDKZSJFCDSSHL-OAQYLSRUSA-N 1 0 411.343 4.000 20 30 HHEDRO CN(Cc1cccc(C#N)c1)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000303101121 971503343 /nfs/dbraw/zinc/50/33/43/971503343.db2.gz HTAAVGDAIDSSMC-NRFANRHFSA-N 1 0 401.432 3.971 20 30 HHEDRO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000303189261 971551035 /nfs/dbraw/zinc/55/10/35/971551035.db2.gz WEBDLFVAVQUANA-MRXNPFEDSA-N 1 0 419.447 3.935 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)CC1 ZINC000303345885 971646664 /nfs/dbraw/zinc/64/66/64/971646664.db2.gz ZVFXIBWIAOHYTF-UHFFFAOYSA-N 1 0 418.544 3.891 20 30 HHEDRO N#Cc1cccc(S(=O)(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000303369903 971664527 /nfs/dbraw/zinc/66/45/27/971664527.db2.gz JLFBGCCDQKEQPR-UHFFFAOYSA-N 1 0 411.571 3.571 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000303378476 971670439 /nfs/dbraw/zinc/67/04/39/971670439.db2.gz PUCKHRZYKAISBP-NRFANRHFSA-N 1 0 400.954 3.633 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000303385755 971675621 /nfs/dbraw/zinc/67/56/21/971675621.db2.gz NQYLGBNIRUDKTQ-OALUTQOASA-N 1 0 400.592 3.827 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](CCO)C2CCCCC2)c1C#N ZINC000303509845 971809860 /nfs/dbraw/zinc/80/98/60/971809860.db2.gz SRRFIMGMZMPMBP-UHFFFAOYSA-N 1 0 408.546 3.590 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303721557 971976749 /nfs/dbraw/zinc/97/67/49/971976749.db2.gz RQTWOFMWDIWGBW-IBGZPJMESA-N 1 0 422.554 3.564 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 ZINC000303778949 972022398 /nfs/dbraw/zinc/02/23/98/972022398.db2.gz KDUGXEDVKYFORJ-UHFFFAOYSA-N 1 0 414.575 3.911 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCCOc2ccccc2-c2ccccc2)cc1OC ZINC000303882816 972423595 /nfs/dbraw/zinc/42/35/95/972423595.db2.gz LVVQFDNTLJKISF-UHFFFAOYSA-N 1 0 405.498 3.854 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000303882936 972423904 /nfs/dbraw/zinc/42/39/04/972423904.db2.gz LZTURSIVJUHOLD-UHFFFAOYSA-N 1 0 406.958 3.677 20 30 HHEDRO [NH2+]=C(NCc1cccnc1OCC(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC000303892600 972432623 /nfs/dbraw/zinc/43/26/23/972432623.db2.gz NQSOKAJGHWPDIJ-UHFFFAOYSA-N 1 0 408.302 3.848 20 30 HHEDRO O=C(COc1ccc(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)cc1)NC1CC1 ZINC000303894732 972433622 /nfs/dbraw/zinc/43/36/22/972433622.db2.gz STKKFBBJNUYEIZ-UHFFFAOYSA-N 1 0 420.557 3.841 20 30 HHEDRO CSc1nnc(CCC[NH+]=C(NCc2ccccc2)N(C)C)n1C1CCCC1 ZINC000303895845 972434338 /nfs/dbraw/zinc/43/43/38/972434338.db2.gz PQSUGBMBYGUKFJ-UHFFFAOYSA-N 1 0 400.596 3.755 20 30 HHEDRO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303901605 972470721 /nfs/dbraw/zinc/47/07/21/972470721.db2.gz XNCJYHXDFHZUMC-CYBMUJFWSA-N 1 0 416.444 3.959 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000303906476 972476802 /nfs/dbraw/zinc/47/68/02/972476802.db2.gz TYYPWJQBRTURPR-KRWDZBQOSA-N 1 0 406.530 3.672 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000303926231 972502904 /nfs/dbraw/zinc/50/29/04/972502904.db2.gz ZIYNPHSBKRFYEK-UHFFFAOYSA-N 1 0 415.459 3.629 20 30 HHEDRO C=CCn1c(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nnc1-c1ccccc1 ZINC000004285908 960570716 /nfs/dbraw/zinc/57/07/16/960570716.db2.gz DIGGOZSVZJNSIW-FQEVSTJZSA-N 1 0 421.570 3.642 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000542308548 1013266170 /nfs/dbraw/zinc/26/61/70/1013266170.db2.gz GHSZSIHGXIWVMO-GGAORHGYSA-N 1 0 410.493 3.591 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000553325831 1013276301 /nfs/dbraw/zinc/27/63/01/1013276301.db2.gz YDJYBPLWHUPVDE-NRFANRHFSA-N 1 0 417.981 3.844 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000553334498 1013281390 /nfs/dbraw/zinc/28/13/90/1013281390.db2.gz PNBAXDAYDCJEJS-RDPSFJRHSA-N 1 0 407.514 3.699 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)CC2)c1 ZINC000553460839 1013372881 /nfs/dbraw/zinc/37/28/81/1013372881.db2.gz YJNPIKIPKGCWCC-XMMPIXPASA-N 1 0 403.501 3.854 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000542425615 1013378109 /nfs/dbraw/zinc/37/81/09/1013378109.db2.gz TXYIDHJKFHXIHL-RTBURBONSA-N 1 0 422.529 3.710 20 30 HHEDRO CCOC(=O)c1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017517651 963206697 /nfs/dbraw/zinc/20/66/97/963206697.db2.gz LMQAMLNRGISBCN-UHFFFAOYSA-N 1 0 422.554 3.640 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1OC ZINC000017911946 963240818 /nfs/dbraw/zinc/24/08/18/963240818.db2.gz ISOUKLGROWJZOH-OAQYLSRUSA-N 1 0 410.514 3.836 20 30 HHEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1-c1nnnn1C1CC1 ZINC000542463717 1013411522 /nfs/dbraw/zinc/41/15/22/1013411522.db2.gz LTGHEOPFXJOWAO-UHFFFAOYSA-N 1 0 413.529 3.932 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccccc2Br)C(=S)NC2CC2)cc1 ZINC000022688331 963697246 /nfs/dbraw/zinc/69/72/46/963697246.db2.gz PYHREZMUXBKBGH-UHFFFAOYSA-O 1 0 404.353 3.990 20 30 HHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(CO)c2)cc1 ZINC000022735353 963705633 /nfs/dbraw/zinc/70/56/33/963705633.db2.gz KZSFTWPWKIJACN-UHFFFAOYSA-O 1 0 405.543 3.546 20 30 HHEDRO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000022919198 963740203 /nfs/dbraw/zinc/74/02/03/963740203.db2.gz CANRYAXJTTZGOQ-UHFFFAOYSA-N 1 0 422.598 3.953 20 30 HHEDRO CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)CC1 ZINC000023253996 963789580 /nfs/dbraw/zinc/78/95/80/963789580.db2.gz GRYNQBMIJHBNDK-INIZCTEOSA-N 1 0 402.608 3.737 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(C/C=C/c3ccccc3)CC1)CCC2 ZINC000024896367 964104791 /nfs/dbraw/zinc/10/47/91/964104791.db2.gz NAJSQLQPTYSWQZ-VMPITWQZSA-N 1 0 420.582 3.768 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000025867648 964378079 /nfs/dbraw/zinc/37/80/79/964378079.db2.gz HSPAUZAVJOOGBJ-RTBURBONSA-N 1 0 407.539 3.982 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000025942708 964396540 /nfs/dbraw/zinc/39/65/40/964396540.db2.gz JEVOLRSFILGGIU-HNNXBMFYSA-N 1 0 406.555 3.729 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)cc1 ZINC000051423813 964568618 /nfs/dbraw/zinc/56/86/18/964568618.db2.gz ZSPMSRAIVGKWSM-HXUWFJFHSA-N 1 0 415.331 3.919 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000051778084 964695147 /nfs/dbraw/zinc/69/51/47/964695147.db2.gz OBBULKKRSSWXIT-UHFFFAOYSA-N 1 0 401.551 3.592 20 30 HHEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)cc2C1=O ZINC000027140661 964798454 /nfs/dbraw/zinc/79/84/54/964798454.db2.gz NPSZJFHAQQYAFU-UHFFFAOYSA-N 1 0 403.482 3.707 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000053001575 965038088 /nfs/dbraw/zinc/03/80/88/965038088.db2.gz WEUSPGINVAEHJO-IBGZPJMESA-N 1 0 413.905 3.552 20 30 HHEDRO Cc1cc(C)c(C#N)c(SCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000053288663 965121313 /nfs/dbraw/zinc/12/13/13/965121313.db2.gz KMUWVTNKSYQBJZ-UHFFFAOYSA-N 1 0 408.571 3.751 20 30 HHEDRO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961854 965227078 /nfs/dbraw/zinc/22/70/78/965227078.db2.gz MXDKJCAGSCJJLU-XMMPIXPASA-N 1 0 404.558 3.676 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(OC)c1 ZINC000053967951 965332462 /nfs/dbraw/zinc/33/24/62/965332462.db2.gz XKDUNBSUOFAURF-UHFFFAOYSA-N 1 0 408.542 3.892 20 30 HHEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1OC ZINC000029376485 965364223 /nfs/dbraw/zinc/36/42/23/965364223.db2.gz ZGAKZKYPQSVEGN-UHFFFAOYSA-N 1 0 409.530 3.963 20 30 HHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)C1 ZINC000553784904 1013612664 /nfs/dbraw/zinc/61/26/64/1013612664.db2.gz RSJOPAOEVZTRNV-GLDPYIMESA-N 1 0 403.526 3.940 20 30 HHEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000058931221 965960909 /nfs/dbraw/zinc/96/09/09/965960909.db2.gz RVSKIFMVTCFCNG-HXUWFJFHSA-N 1 0 421.950 3.582 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000060504984 966178451 /nfs/dbraw/zinc/17/84/51/966178451.db2.gz YMLVZQZBEZWEGB-UHFFFAOYSA-N 1 0 421.541 3.679 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000060534711 966194662 /nfs/dbraw/zinc/19/46/62/966194662.db2.gz RTGJOPVUCYZNAM-UHFFFAOYSA-N 1 0 406.530 3.512 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000542723651 1013635579 /nfs/dbraw/zinc/63/55/79/1013635579.db2.gz YPQOTTQDTKEKKL-RTBURBONSA-N 1 0 413.525 3.630 20 30 HHEDRO C[C@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C(=O)Nc1ccccc1C#N ZINC000056170950 966245604 /nfs/dbraw/zinc/24/56/04/966245604.db2.gz HYQDTYCYAJASIE-SFHVURJKSA-N 1 0 419.529 3.812 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000060756514 966278464 /nfs/dbraw/zinc/27/84/64/966278464.db2.gz DMMSYHVIUDRWFO-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032830837 966333408 /nfs/dbraw/zinc/33/34/08/966333408.db2.gz NOIWXIICFBCAGB-HFZDXXHNSA-N 1 0 418.585 3.837 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032830829 966333513 /nfs/dbraw/zinc/33/35/13/966333513.db2.gz NOIWXIICFBCAGB-RLWLMLJZSA-N 1 0 418.585 3.837 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)ccc1OC ZINC000060948808 966334138 /nfs/dbraw/zinc/33/41/38/966334138.db2.gz XCWBQEKBHHHNRJ-UHFFFAOYSA-N 1 0 418.559 3.627 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1cccc(C#N)c1 ZINC000056622282 966398587 /nfs/dbraw/zinc/39/85/87/966398587.db2.gz DSSZLASESXLCJB-UHFFFAOYSA-N 1 0 415.335 3.594 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)cc1Br)C(C)C ZINC000062205203 966623270 /nfs/dbraw/zinc/62/32/70/966623270.db2.gz YVPBZOJGGCXCRF-GOSISDBHSA-N 1 0 422.367 3.511 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(Br)c1 ZINC000062368218 966650324 /nfs/dbraw/zinc/65/03/24/966650324.db2.gz ZXGSXGGBAHDPRQ-UHFFFAOYSA-N 1 0 401.308 3.916 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC#Cc1ccccc1 ZINC000062477388 966684579 /nfs/dbraw/zinc/68/45/79/966684579.db2.gz SQOJSYIBTRJJDH-UHFFFAOYSA-N 1 0 403.448 3.830 20 30 HHEDRO CN(CCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)c1cc[nH+]cc1 ZINC000542785699 1013681222 /nfs/dbraw/zinc/68/12/22/1013681222.db2.gz KWSDPTOSZXMZBJ-QHCPKHFHSA-N 1 0 400.482 3.868 20 30 HHEDRO CC(C)[NH+](CCn1c(Sc2ccc(C#N)cn2)nc2ccccc2c1=O)C(C)C ZINC000042848385 966856192 /nfs/dbraw/zinc/85/61/92/966856192.db2.gz LMOKCGHMYYVZJC-UHFFFAOYSA-N 1 0 407.543 3.933 20 30 HHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000538123971 1013685831 /nfs/dbraw/zinc/68/58/31/1013685831.db2.gz FXLOPIJFJLGKKW-GCJKJVERSA-N 1 0 403.482 3.623 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000063787334 966956679 /nfs/dbraw/zinc/95/66/79/966956679.db2.gz BQMUNXCXOXRZEF-UHFFFAOYSA-N 1 0 406.530 3.512 20 30 HHEDRO C[N@H+](CCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)Cc1ccccc1 ZINC000542838561 1013700420 /nfs/dbraw/zinc/70/04/20/1013700420.db2.gz KATVRMFYIWPVSQ-UHFFFAOYSA-N 1 0 406.465 3.527 20 30 HHEDRO Cc1cc(-c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)c3c(C)noc3n2)c(C)o1 ZINC000064381126 967161678 /nfs/dbraw/zinc/16/16/78/967161678.db2.gz IBDIBSOEJGRSFB-UHFFFAOYSA-N 1 0 409.490 3.716 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000064381250 967162799 /nfs/dbraw/zinc/16/27/99/967162799.db2.gz NQLWXRJXZQEOOA-UHFFFAOYSA-N 1 0 418.950 3.961 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538159168 1013720978 /nfs/dbraw/zinc/72/09/78/1013720978.db2.gz MJSMMGWGAQEMDD-HUUCEWRRSA-N 1 0 405.527 3.972 20 30 HHEDRO C=CCc1cc(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000065290213 967429808 /nfs/dbraw/zinc/42/98/08/967429808.db2.gz KCCUZFXZFSQTQN-HDICACEKSA-N 1 0 403.567 3.600 20 30 HHEDRO N#Cc1ccnc(N2CC[NH+](CCCCOc3ccccc3C(F)(F)F)CC2)c1 ZINC000065448482 967471430 /nfs/dbraw/zinc/47/14/30/967471430.db2.gz QUHQHGGCDBAFGK-UHFFFAOYSA-N 1 0 404.436 3.953 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000046613380 967882562 /nfs/dbraw/zinc/88/25/62/967882562.db2.gz HYVNILYTLYGYEX-INIZCTEOSA-N 1 0 416.472 3.994 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000046760982 967956862 /nfs/dbraw/zinc/95/68/62/967956862.db2.gz YNXVZWCUVFKLRD-NHCUHLMSSA-N 1 0 411.594 3.538 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(C)C ZINC000046905703 968004908 /nfs/dbraw/zinc/00/49/08/968004908.db2.gz RHCYYZDDSDWHLF-JOCHJYFZSA-N 1 0 412.578 3.745 20 30 HHEDRO C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047279919 968118932 /nfs/dbraw/zinc/11/89/32/968118932.db2.gz HAQHWWSLWGBBFB-KRWDZBQOSA-N 1 0 419.554 3.703 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000047283497 968121091 /nfs/dbraw/zinc/12/10/91/968121091.db2.gz FJFINSTZVZCZMF-INIZCTEOSA-N 1 0 406.530 3.667 20 30 HHEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1F ZINC000538224979 1013774738 /nfs/dbraw/zinc/77/47/38/1013774738.db2.gz OPLCQWVZTVPUQB-OAQYLSRUSA-N 1 0 409.440 3.948 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000538237043 1013785341 /nfs/dbraw/zinc/78/53/41/1013785341.db2.gz HILBSOQOYRFOOV-MOPGFXCFSA-N 1 0 417.513 3.867 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000048159667 968462595 /nfs/dbraw/zinc/46/25/95/968462595.db2.gz YQBBXIBMTMXUEX-UHFFFAOYSA-N 1 0 406.530 3.910 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000538259797 1013801318 /nfs/dbraw/zinc/80/13/18/1013801318.db2.gz PBRUTKVBDOQKCP-IBGZPJMESA-N 1 0 409.486 3.793 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000538261596 1013803226 /nfs/dbraw/zinc/80/32/26/1013803226.db2.gz UYXCYGLWTBRNFV-QHCPKHFHSA-N 1 0 405.542 3.836 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1-c1cccc(Cl)c1 ZINC000065930597 968720517 /nfs/dbraw/zinc/72/05/17/968720517.db2.gz DIFLXYQQUICSBG-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO Cc1oc(-c2ccccc2)nc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930754 968720866 /nfs/dbraw/zinc/72/08/66/968720866.db2.gz OHSWFIXRFZHNDQ-UHFFFAOYSA-N 1 0 402.498 3.655 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000072006680 968928308 /nfs/dbraw/zinc/92/83/08/968928308.db2.gz ZSBRYDXOCSSJQR-OAQYLSRUSA-N 1 0 407.514 3.535 20 30 HHEDRO CC(C)C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccc(C#N)cc1 ZINC000554196362 1013847654 /nfs/dbraw/zinc/84/76/54/1013847654.db2.gz OOUGPTXARBTQPL-UHFFFAOYSA-N 1 0 401.532 3.594 20 30 HHEDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)cc1 ZINC000097494648 969147595 /nfs/dbraw/zinc/14/75/95/969147595.db2.gz KVABSBBIOBAKLM-IBGZPJMESA-N 1 0 424.520 3.682 20 30 HHEDRO C[C@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000097571283 969164724 /nfs/dbraw/zinc/16/47/24/969164724.db2.gz LTNIRQHHRZEYBC-OALUTQOASA-N 1 0 420.557 3.676 20 30 HHEDRO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000097571275 969164906 /nfs/dbraw/zinc/16/49/06/969164906.db2.gz LTNIRQHHRZEYBC-RTBURBONSA-N 1 0 420.557 3.676 20 30 HHEDRO C[C@@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000097571504 969166056 /nfs/dbraw/zinc/16/60/56/969166056.db2.gz WQEZEIOFJBITSC-OAHLLOKOSA-N 1 0 416.472 3.615 20 30 HHEDRO N#CCCCC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000105170921 969224437 /nfs/dbraw/zinc/22/44/37/969224437.db2.gz CCKKGOHCZMRIFB-UHFFFAOYSA-N 1 0 402.848 3.609 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1sccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110285094 969648174 /nfs/dbraw/zinc/64/81/74/969648174.db2.gz KDJVQXCFJVVFPL-UHFFFAOYSA-N 1 0 410.543 3.575 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000110945369 969744808 /nfs/dbraw/zinc/74/48/08/969744808.db2.gz VCCKGLCEFKURPR-HSZRJFAPSA-N 1 0 418.541 3.667 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000110945902 969745371 /nfs/dbraw/zinc/74/53/71/969745371.db2.gz ZBZWPZSTORRZPY-FQEVSTJZSA-N 1 0 424.570 3.728 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110986430 969754387 /nfs/dbraw/zinc/75/43/87/969754387.db2.gz XMGUDIBBTLRDDN-RDJZCZTQSA-N 1 0 404.942 3.557 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1C#N ZINC000111052272 969767878 /nfs/dbraw/zinc/76/78/78/969767878.db2.gz AAEPPYCSNHGZOS-OAQYLSRUSA-N 1 0 423.536 3.604 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000117271919 969945161 /nfs/dbraw/zinc/94/51/61/969945161.db2.gz YSISRQKRCNHGOE-HSZRJFAPSA-N 1 0 421.541 3.535 20 30 HHEDRO C[N@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1sccc1C#N ZINC000137136456 969978708 /nfs/dbraw/zinc/97/87/08/969978708.db2.gz ACRGBODJFGOWKY-UHFFFAOYSA-N 1 0 408.321 3.722 20 30 HHEDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000236627623 970149107 /nfs/dbraw/zinc/14/91/07/970149107.db2.gz BMVQERIUGPOHCQ-UHFFFAOYSA-N 1 0 403.486 3.591 20 30 HHEDRO CCOc1c(Br)cc(C[NH2+]CCOc2ccc(C#N)cc2)cc1OC ZINC000237022964 970209069 /nfs/dbraw/zinc/20/90/69/970209069.db2.gz KSFIFMRQNNEKPN-UHFFFAOYSA-N 1 0 405.292 3.897 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2)C[C@@H](C)O1 ZINC000237658280 970331382 /nfs/dbraw/zinc/33/13/82/970331382.db2.gz CKGHBMBGJZWAAW-WOJBJXKFSA-N 1 0 420.557 3.576 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000554604213 1013987666 /nfs/dbraw/zinc/98/76/66/1013987666.db2.gz IZBBLTNXRRTFPN-HXUWFJFHSA-N 1 0 417.557 3.874 20 30 HHEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000238031528 970421800 /nfs/dbraw/zinc/42/18/00/970421800.db2.gz IIKNIRMXWHYOQU-UHFFFAOYSA-N 1 0 412.555 3.553 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000554629591 1013993452 /nfs/dbraw/zinc/99/34/52/1013993452.db2.gz RGMPHOZEAXNMLO-DEOSSOPVSA-N 1 0 419.569 3.933 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)NCc1cccs1 ZINC000186960917 970493427 /nfs/dbraw/zinc/49/34/27/970493427.db2.gz QSDSBVBJLYPIBE-UHFFFAOYSA-O 1 0 400.549 3.931 20 30 HHEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2)cn1 ZINC000171063892 970493575 /nfs/dbraw/zinc/49/35/75/970493575.db2.gz POERHISKKGIEBE-UHFFFAOYSA-O 1 0 400.430 3.707 20 30 HHEDRO Cc1noc(C)c1C(=O)C(C(=S)NCCc1cccs1)[n+]1ccc(C)cc1 ZINC000186967872 970493802 /nfs/dbraw/zinc/49/38/02/970493802.db2.gz NLANJTITDGELRD-UHFFFAOYSA-O 1 0 400.549 3.720 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc(CCNC(=[NH2+])Nc2cccc(C(C)C)c2)s1 ZINC000303980577 972566202 /nfs/dbraw/zinc/56/62/02/972566202.db2.gz OFHJBCUPWFDKFY-UHFFFAOYSA-N 1 0 422.620 3.871 20 30 HHEDRO Cc1ccc([C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)N2CCCC2)o1 ZINC000304502812 972601259 /nfs/dbraw/zinc/60/12/59/972601259.db2.gz PXBMTUONUSCFSU-QGZVFWFLSA-N 1 0 410.440 3.728 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)c(OC2CCCC2)c1 ZINC000304656597 972602922 /nfs/dbraw/zinc/60/29/22/972602922.db2.gz IKFWGGCHTNKNHC-UHFFFAOYSA-N 1 0 413.518 3.638 20 30 HHEDRO CCc1cccc(NC(=[NH2+])NCCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000304744328 972604146 /nfs/dbraw/zinc/60/41/46/972604146.db2.gz DOWWFVSQLVPFHD-UHFFFAOYSA-N 1 0 417.351 3.787 20 30 HHEDRO CCc1ccc(NC(=[NH2+])NCCC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000304759385 972605554 /nfs/dbraw/zinc/60/55/54/972605554.db2.gz RCEMJLKSRQIDFE-UHFFFAOYSA-N 1 0 417.351 3.787 20 30 HHEDRO [NH2+]=C(NCC1(c2ccccc2Br)CC1)N[C@H]1CCOc2ccccc21 ZINC000304760130 972605681 /nfs/dbraw/zinc/60/56/81/972605681.db2.gz RYIIRICQGMFSEU-KRWDZBQOSA-N 1 0 400.320 3.909 20 30 HHEDRO COc1cc(OC)cc([C@H](O)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304762191 972605736 /nfs/dbraw/zinc/60/57/36/972605736.db2.gz VJSDQZDIRZTNGB-ADLMAVQZSA-N 1 0 412.317 3.710 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2ccccc2CN(C)Cc2ccco2)cc1OC ZINC000304775203 972606572 /nfs/dbraw/zinc/60/65/72/972606572.db2.gz CJIXVODRQMCXIS-UHFFFAOYSA-N 1 0 408.502 3.856 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2nc(C(F)(F)F)cs2)c1 ZINC000304773202 972607323 /nfs/dbraw/zinc/60/73/23/972607323.db2.gz BDNLYWHLNFGWTI-UHFFFAOYSA-N 1 0 402.442 3.929 20 30 HHEDRO CC(C)(C)OC(=O)N1CCC(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000305241262 972611721 /nfs/dbraw/zinc/61/17/21/972611721.db2.gz RMFLGASBCGZDDQ-UHFFFAOYSA-N 1 0 416.444 3.959 20 30 HHEDRO CC(C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC000305250500 972611947 /nfs/dbraw/zinc/61/19/47/972611947.db2.gz UXOVTQDSTDRZFT-ZDUSSCGKSA-N 1 0 404.433 3.861 20 30 HHEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N2CCOCC2)cc1 ZINC000305220276 972611974 /nfs/dbraw/zinc/61/19/74/972611974.db2.gz JGENPQJRURJUSW-GOSISDBHSA-N 1 0 422.451 3.694 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCCOCc2ccc(Cl)cc2Cl)cc1OC ZINC000305777281 972615130 /nfs/dbraw/zinc/61/51/30/972615130.db2.gz LKAVFRSZNSEHDY-UHFFFAOYSA-N 1 0 412.317 3.632 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409460169 972906046 /nfs/dbraw/zinc/90/60/46/972906046.db2.gz ZNFRZCZRWUWMJX-LJQANCHMSA-N 1 0 413.525 3.906 20 30 HHEDRO CCC[C@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409897754 973360472 /nfs/dbraw/zinc/36/04/72/973360472.db2.gz CHRFEPLAXYDDRA-QHCPKHFHSA-N 1 0 413.525 3.871 20 30 HHEDRO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410422564 974020346 /nfs/dbraw/zinc/02/03/46/974020346.db2.gz MCVCXONKQYEYOH-IBGZPJMESA-N 1 0 409.534 3.516 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000425940246 974049817 /nfs/dbraw/zinc/04/98/17/974049817.db2.gz ASKPBEOSEPMBHP-ZWKOTPCHSA-N 1 0 420.513 3.668 20 30 HHEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)C ZINC000425962744 974066614 /nfs/dbraw/zinc/06/66/14/974066614.db2.gz ZITOYFAZEUVGSQ-UHFFFAOYSA-N 1 0 408.502 3.524 20 30 HHEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000426158738 974272670 /nfs/dbraw/zinc/27/26/70/974272670.db2.gz DYXNAGRLNRLTNP-HOTGVXAUSA-N 1 0 404.942 3.955 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CNc1cccc(C#N)c1 ZINC000426436125 974447419 /nfs/dbraw/zinc/44/74/19/974447419.db2.gz PECWUFIPUTYEIP-UHFFFAOYSA-N 1 0 404.436 3.579 20 30 HHEDRO COC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000426610704 974561824 /nfs/dbraw/zinc/56/18/24/974561824.db2.gz FVVUVWQUVWYGRG-OAQYLSRUSA-N 1 0 414.937 3.673 20 30 HHEDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000426655062 974585307 /nfs/dbraw/zinc/58/53/07/974585307.db2.gz BXFAZMTVYVFPKI-UHFFFAOYSA-N 1 0 420.513 3.668 20 30 HHEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000426789089 974660804 /nfs/dbraw/zinc/66/08/04/974660804.db2.gz ROZUTEPMQHYQIQ-KRWDZBQOSA-N 1 0 402.947 3.924 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@H]1C ZINC000426985078 974800066 /nfs/dbraw/zinc/80/00/66/974800066.db2.gz DQRJPHKYCHVEPI-YLJYHZDGSA-N 1 0 420.513 3.620 20 30 HHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H](C)Cn3cccn3)sc2C1 ZINC000427003831 974815888 /nfs/dbraw/zinc/81/58/88/974815888.db2.gz ASZJGHPHGQDCGR-HOTGVXAUSA-N 1 0 413.591 3.974 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427243061 975001192 /nfs/dbraw/zinc/00/11/92/975001192.db2.gz QPKAFXOBHRMWEB-UHFFFAOYSA-N 1 0 403.530 3.503 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427250945 975004940 /nfs/dbraw/zinc/00/49/40/975004940.db2.gz RBGDKHFBZZBDTO-UHFFFAOYSA-N 1 0 407.493 3.504 20 30 HHEDRO N#Cc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000427372277 975082766 /nfs/dbraw/zinc/08/27/66/975082766.db2.gz LDXVADCRVGMWAP-UHFFFAOYSA-N 1 0 417.469 3.652 20 30 HHEDRO C[NH+](C)CCOc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000428206639 975531341 /nfs/dbraw/zinc/53/13/41/975531341.db2.gz NKSLDHZBSVAQQP-UHFFFAOYSA-N 1 0 403.486 3.656 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2ccc(C#N)s2)cc1Cl ZINC000428397269 975717574 /nfs/dbraw/zinc/71/75/74/975717574.db2.gz IXANRLXSIQWJOY-UHFFFAOYSA-N 1 0 418.950 3.987 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)cc(OC)c1O ZINC000428535640 975833398 /nfs/dbraw/zinc/83/33/98/975833398.db2.gz LQAGCTFIYMLMQN-KRWDZBQOSA-N 1 0 420.347 3.833 20 30 HHEDRO CCCNC(=O)C1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCCC1 ZINC000428755748 976028326 /nfs/dbraw/zinc/02/83/26/976028326.db2.gz YYOUYTJNVKJBLZ-UHFFFAOYSA-N 1 0 416.591 3.646 20 30 HHEDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCCC1 ZINC000428775282 976048222 /nfs/dbraw/zinc/04/82/22/976048222.db2.gz AYIUVYTZJFIQJD-UHFFFAOYSA-N 1 0 416.591 3.646 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000428801524 976079687 /nfs/dbraw/zinc/07/96/87/976079687.db2.gz HWGBRRVZFMJYIL-UPVQGACJSA-N 1 0 415.493 3.513 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)nc1 ZINC000428809919 976088735 /nfs/dbraw/zinc/08/87/35/976088735.db2.gz WZZDNXGIMWWUTM-WOJBJXKFSA-N 1 0 412.493 3.575 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000428875770 976166019 /nfs/dbraw/zinc/16/60/19/976166019.db2.gz WYFLNMSIXLXQIY-KRWDZBQOSA-N 1 0 424.476 3.676 20 30 HHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)C1 ZINC000428990206 976271212 /nfs/dbraw/zinc/27/12/12/976271212.db2.gz HNRJWOSYGRKPQY-MBOZVWFJSA-N 1 0 414.619 3.879 20 30 HHEDRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000428991010 976271375 /nfs/dbraw/zinc/27/13/75/976271375.db2.gz HAXYWOWFFZBTOG-CYBMUJFWSA-N 1 0 406.914 3.952 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429036645 976321023 /nfs/dbraw/zinc/32/10/23/976321023.db2.gz TWTXWUTWUXHRHE-JOCHJYFZSA-N 1 0 411.521 3.814 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429036646 976321298 /nfs/dbraw/zinc/32/12/98/976321298.db2.gz TWTXWUTWUXHRHE-QFIPXVFZSA-N 1 0 411.521 3.814 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000429055283 976341976 /nfs/dbraw/zinc/34/19/76/976341976.db2.gz STLDZOPLRKOAKV-QZTJIDSGSA-N 1 0 414.550 3.700 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[NH+](C1CCC1)C1CCC1)CCCC2 ZINC000429125810 976412152 /nfs/dbraw/zinc/41/21/52/976412152.db2.gz FWCSWFCBIZJAIV-IBGZPJMESA-N 1 0 410.562 3.763 20 30 HHEDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C(C)C ZINC000429376049 976647411 /nfs/dbraw/zinc/64/74/11/976647411.db2.gz DDTBIOJQYDIEII-JXFKEZNVSA-N 1 0 417.575 3.737 20 30 HHEDRO COc1ccccc1-c1ncc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000430080857 977310889 /nfs/dbraw/zinc/31/08/89/977310889.db2.gz PFTFIEBAOGDDSK-UHFFFAOYSA-N 1 0 401.514 3.588 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)nc1 ZINC000430161406 977357263 /nfs/dbraw/zinc/35/72/63/977357263.db2.gz NCFQPRBLRDXORX-IBGZPJMESA-N 1 0 413.403 3.811 20 30 HHEDRO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000430180886 977374579 /nfs/dbraw/zinc/37/45/79/977374579.db2.gz SOKSDZLWQUMUHE-GOSISDBHSA-N 1 0 403.438 3.653 20 30 HHEDRO CCOC(=O)c1cc(COC)cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000430229994 977406088 /nfs/dbraw/zinc/40/60/88/977406088.db2.gz XFOWPKQUARUYBF-UHFFFAOYSA-N 1 0 407.514 3.958 20 30 HHEDRO N#CCCn1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1-c1ccccc1 ZINC000430295994 977455569 /nfs/dbraw/zinc/45/55/69/977455569.db2.gz RYKOQXRGWDVCAU-DENIHFKCSA-N 1 0 403.530 3.553 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430642649 977664708 /nfs/dbraw/zinc/66/47/08/977664708.db2.gz VSXRRHSLNNLNNK-DENIHFKCSA-N 1 0 421.541 3.895 20 30 HHEDRO N#CC1(NC(=O)CO[C@H]2CCCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000430795616 977762562 /nfs/dbraw/zinc/76/25/62/977762562.db2.gz VZBADYMRZLEWMN-QHCPKHFHSA-N 1 0 403.526 3.755 20 30 HHEDRO C=CCN1C(=O)N([C@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430931380 977895974 /nfs/dbraw/zinc/89/59/74/977895974.db2.gz COCUOFFVHSFZDA-GOTSBHOMSA-N 1 0 403.526 3.713 20 30 HHEDRO C=CCN1C(=O)N(C[C@H](c2ccc(C)o2)[NH+]2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431133107 978039796 /nfs/dbraw/zinc/03/97/96/978039796.db2.gz RKCBSPDJMPBQFN-NHCUHLMSSA-N 1 0 407.514 3.786 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431224086 978104971 /nfs/dbraw/zinc/10/49/71/978104971.db2.gz MJOOOWAJRXJAOL-AJSBUHFISA-N 1 0 403.526 3.568 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000431954518 978617242 /nfs/dbraw/zinc/61/72/42/978617242.db2.gz QSSJFMZBBBCKEV-GOSISDBHSA-N 1 0 404.514 3.585 20 30 HHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000432493003 978846237 /nfs/dbraw/zinc/84/62/37/978846237.db2.gz AATMSKXSPFQKDS-UHFFFAOYSA-N 1 0 419.529 3.812 20 30 HHEDRO COc1cc(-c2noc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)ccc1C ZINC000432933478 979015500 /nfs/dbraw/zinc/01/55/00/979015500.db2.gz NRNLDUMQAAXGDB-UHFFFAOYSA-N 1 0 417.513 3.633 20 30 HHEDRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH2+][C@@H](CCCC#N)c3ccccc3)CC2)C1 ZINC000433016809 979042967 /nfs/dbraw/zinc/04/29/67/979042967.db2.gz UTLXIVKVZYLVCJ-OFNKIYASSA-N 1 0 424.589 3.508 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000433071035 979058121 /nfs/dbraw/zinc/05/81/21/979058121.db2.gz ZPSVYQPGXQQRRN-UHFFFAOYSA-N 1 0 405.542 3.576 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433177280 979121225 /nfs/dbraw/zinc/12/12/25/979121225.db2.gz DIHAZZAIHIVITE-FQEVSTJZSA-N 1 0 400.530 3.865 20 30 HHEDRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433217003 979150584 /nfs/dbraw/zinc/15/05/84/979150584.db2.gz AYAMWLDDGUDCOP-SFTDATJTSA-N 1 0 404.470 3.974 20 30 HHEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433217001 979150718 /nfs/dbraw/zinc/15/07/18/979150718.db2.gz AYAMWLDDGUDCOP-RTWAWAEBSA-N 1 0 404.470 3.974 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2csc(Br)c2)c(-c2ccncc2)n1 ZINC000433307560 979227787 /nfs/dbraw/zinc/22/77/87/979227787.db2.gz VWJHAZGUFOHBTG-UHFFFAOYSA-N 1 0 402.321 3.973 20 30 HHEDRO CC(C)(CO)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000433332074 979242260 /nfs/dbraw/zinc/24/22/60/979242260.db2.gz RQYYGCVOQVDQTC-JOCHJYFZSA-N 1 0 403.530 3.751 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCCO1 ZINC000433472208 979323536 /nfs/dbraw/zinc/32/35/36/979323536.db2.gz UUNQIHJBGBAUJD-SFHVURJKSA-N 1 0 408.502 3.973 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000434389503 980133555 /nfs/dbraw/zinc/13/35/55/980133555.db2.gz HRZVEDKKSVCJTN-FQEVSTJZSA-N 1 0 416.529 3.824 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccccc1 ZINC000434811223 980415142 /nfs/dbraw/zinc/41/51/42/980415142.db2.gz XWOIKXZQBUAJCX-TZIWHRDSSA-N 1 0 407.514 3.834 20 30 HHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1Oc1ccccc1 ZINC000434983780 980548416 /nfs/dbraw/zinc/54/84/16/980548416.db2.gz TWAKPDFOXBHNKG-CQOQZXRMSA-N 1 0 417.513 3.573 20 30 HHEDRO N#Cc1cccc(C2(C(=O)Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)CC2)c1 ZINC000435016974 980574033 /nfs/dbraw/zinc/57/40/33/980574033.db2.gz RRNMNHOOBORACA-UHFFFAOYSA-N 1 0 400.526 3.761 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1cc(C)ccc1C ZINC000435045690 980593057 /nfs/dbraw/zinc/59/30/57/980593057.db2.gz XOTHMJQKNRZMRE-UHFFFAOYSA-N 1 0 415.541 3.873 20 30 HHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000435102482 980639427 /nfs/dbraw/zinc/63/94/27/980639427.db2.gz HZDDPZKLQJVCFO-YADHBBJMSA-N 1 0 417.513 3.901 20 30 HHEDRO CN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435126695 980658029 /nfs/dbraw/zinc/65/80/29/980658029.db2.gz PUZFVTZWNUAZEH-JOCHJYFZSA-N 1 0 414.557 3.813 20 30 HHEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000435129541 980660769 /nfs/dbraw/zinc/66/07/69/980660769.db2.gz MVRLBNFEUJLHSB-UHFFFAOYSA-N 1 0 416.529 3.583 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000435134438 980665626 /nfs/dbraw/zinc/66/56/26/980665626.db2.gz HYEGDDZBLZOADR-UHFFFAOYSA-N 1 0 420.561 3.520 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)CC1 ZINC000435501194 980906006 /nfs/dbraw/zinc/90/60/06/980906006.db2.gz KOFBIFXMESYYKJ-UHFFFAOYSA-N 1 0 407.562 3.846 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000435539017 980928973 /nfs/dbraw/zinc/92/89/73/980928973.db2.gz CGYRTUWTLNOBMP-ROUUACIJSA-N 1 0 414.550 3.699 20 30 HHEDRO Cc1cc(NC(=O)CNc2ccc(C#N)cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435692972 980989242 /nfs/dbraw/zinc/98/92/42/980989242.db2.gz HQZJLNLIXIIKPY-JOCHJYFZSA-N 1 0 414.513 3.561 20 30 HHEDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332748 981305825 /nfs/dbraw/zinc/30/58/25/981305825.db2.gz IECRPYUJUUJJNF-RTBURBONSA-N 1 0 420.557 3.773 20 30 HHEDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332745 981305852 /nfs/dbraw/zinc/30/58/52/981305852.db2.gz IECRPYUJUUJJNF-MOPGFXCFSA-N 1 0 420.557 3.773 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000436346237 981314871 /nfs/dbraw/zinc/31/48/71/981314871.db2.gz WILVBWVDASAUMM-NRFANRHFSA-N 1 0 404.489 3.545 20 30 HHEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000436347037 981315382 /nfs/dbraw/zinc/31/53/82/981315382.db2.gz QWIZKEGJCLECOE-LJQANCHMSA-N 1 0 408.452 3.953 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3O)CC2)ccc1OC ZINC000436837013 981583750 /nfs/dbraw/zinc/58/37/50/981583750.db2.gz INVXUPHDFSHFGR-UHFFFAOYSA-N 1 0 410.514 3.750 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)nc1 ZINC000448201961 981613979 /nfs/dbraw/zinc/61/39/79/981613979.db2.gz IIRBGEFLIPMGSD-UGKGYDQZSA-N 1 0 402.498 3.834 20 30 HHEDRO Cc1nc(SCC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000437055299 981726185 /nfs/dbraw/zinc/72/61/85/981726185.db2.gz MUJWDQXAAHMEFW-OAQYLSRUSA-N 1 0 422.598 3.951 20 30 HHEDRO Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437105009 981763445 /nfs/dbraw/zinc/76/34/45/981763445.db2.gz HSZIRBVTPOHIPJ-VNXZQDSDSA-N 1 0 416.529 3.964 20 30 HHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000437105315 981763530 /nfs/dbraw/zinc/76/35/30/981763530.db2.gz ITFKHWIKZOXTJP-OIULLBJASA-N 1 0 420.557 3.695 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437213552 981870351 /nfs/dbraw/zinc/87/03/51/981870351.db2.gz BNBZHZJJMPSFLU-UHFFFAOYSA-N 1 0 420.391 3.689 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000437263862 981921013 /nfs/dbraw/zinc/92/10/13/981921013.db2.gz UZUPQQPSMCPANG-MEBBXXQBSA-N 1 0 404.146 3.865 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460383139 982161763 /nfs/dbraw/zinc/16/17/63/982161763.db2.gz DFDTZNXOIZDCDF-AZUAARDMSA-N 1 0 408.550 3.614 20 30 HHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460389902 982169619 /nfs/dbraw/zinc/16/96/19/982169619.db2.gz UIZBPLKXWRTHDC-RBBKRZOGSA-N 1 0 407.562 3.985 20 30 HHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)s2)cc1 ZINC000437542639 982172309 /nfs/dbraw/zinc/17/23/09/982172309.db2.gz WZHKTCHFSOQEBH-LJQANCHMSA-N 1 0 409.559 3.992 20 30 HHEDRO CCC(CC)[C@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC000437629936 982250675 /nfs/dbraw/zinc/25/06/75/982250675.db2.gz ZSQUWCZBAJADOY-QFIPXVFZSA-N 1 0 400.567 3.617 20 30 HHEDRO CC1CC[NH+]([C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)c2cccs2)CC1 ZINC000460476635 982269469 /nfs/dbraw/zinc/26/94/69/982269469.db2.gz PQWXXJDSHHUXDC-SFHVURJKSA-N 1 0 409.621 3.915 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000437744520 982333052 /nfs/dbraw/zinc/33/30/52/982333052.db2.gz DIQVJVXPFIABSL-RXVVDRJESA-N 1 0 405.970 3.832 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460546671 982333046 /nfs/dbraw/zinc/33/30/46/982333046.db2.gz VPGDXESNFAMWRP-IBGZPJMESA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(COCC)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460587174 982371715 /nfs/dbraw/zinc/37/17/15/982371715.db2.gz UQDUTBFYWWCMDC-XMMPIXPASA-N 1 0 409.578 3.883 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000437883704 982434741 /nfs/dbraw/zinc/43/47/41/982434741.db2.gz PAVGAUCPNLILPH-IERDGZPVSA-N 1 0 405.502 3.757 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460724294 982478869 /nfs/dbraw/zinc/47/88/69/982478869.db2.gz ZQJDRYAHBVLYNQ-GHTZIAJQSA-N 1 0 410.566 3.552 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460734140 982490736 /nfs/dbraw/zinc/49/07/36/982490736.db2.gz SGVSXHXMJBDCIZ-QFIPXVFZSA-N 1 0 422.577 3.698 20 30 HHEDRO C=C(C)Cn1c(CN2CC[NH+](Cc3ccc(C)cc3)CC2)nnc1N1CC=C(C)CC1 ZINC000460784624 982537014 /nfs/dbraw/zinc/53/70/14/982537014.db2.gz SQCDRFKOJKOPDJ-UHFFFAOYSA-N 1 0 420.605 3.637 20 30 HHEDRO C=C(C)Cn1c(N(C)[C@H]2CC[N@@H+](C3CC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000460800123 982552341 /nfs/dbraw/zinc/55/23/41/982552341.db2.gz BANGUHWUZKUNII-KRWDZBQOSA-N 1 0 403.477 3.655 20 30 HHEDRO C=C(C)Cn1c(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000460800124 982552445 /nfs/dbraw/zinc/55/24/45/982552445.db2.gz BANGUHWUZKUNII-QGZVFWFLSA-N 1 0 403.477 3.655 20 30 HHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460811170 982564515 /nfs/dbraw/zinc/56/45/15/982564515.db2.gz GLWLSFAFRLUTAI-LJQANCHMSA-N 1 0 401.599 3.667 20 30 HHEDRO C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460882437 982621395 /nfs/dbraw/zinc/62/13/95/982621395.db2.gz MLDINBJJJYLNGM-FQEVSTJZSA-N 1 0 421.589 3.811 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000438196960 982645889 /nfs/dbraw/zinc/64/58/89/982645889.db2.gz HTHASGFVGZFNMP-BVSLBCMMSA-N 1 0 401.551 3.503 20 30 HHEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460937663 982675880 /nfs/dbraw/zinc/67/58/80/982675880.db2.gz OUHOBPMISZWPBM-ICSRJNTNSA-N 1 0 404.562 3.989 20 30 HHEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460938444 982676627 /nfs/dbraw/zinc/67/66/27/982676627.db2.gz QNCQIFWWIWSYNC-QGZVFWFLSA-N 1 0 401.580 3.581 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460950114 982684526 /nfs/dbraw/zinc/68/45/26/982684526.db2.gz DRPVCSKNERATBN-LEWJYISDSA-N 1 0 416.573 3.939 20 30 HHEDRO CSC1(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[NH+](C)CC1 ZINC000460956356 982689477 /nfs/dbraw/zinc/68/94/77/982689477.db2.gz KBGZJXYVTQFYJY-UHFFFAOYSA-N 1 0 409.555 3.694 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460958573 982691021 /nfs/dbraw/zinc/69/10/21/982691021.db2.gz NFHLFRWLSAJLIJ-QGZVFWFLSA-N 1 0 415.969 3.864 20 30 HHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460963502 982694235 /nfs/dbraw/zinc/69/42/35/982694235.db2.gz OOFUNAZDRBIUCU-NRFANRHFSA-N 1 0 423.605 3.719 20 30 HHEDRO CCOc1cccc2[nH]cc(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c21 ZINC000438282096 982698164 /nfs/dbraw/zinc/69/81/64/982698164.db2.gz KUQKQJVXALGJTQ-UHFFFAOYSA-N 1 0 416.525 3.784 20 30 HHEDRO CCN(CC)C(=O)[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438310877 982715675 /nfs/dbraw/zinc/71/56/75/982715675.db2.gz FEDSOLIVHDFACM-HRTMPFAESA-N 1 0 406.530 3.843 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000438327089 982725462 /nfs/dbraw/zinc/72/54/62/982725462.db2.gz XHMNJKXPNCAYDX-VNXZQDSDSA-N 1 0 418.541 3.987 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000438351192 982739498 /nfs/dbraw/zinc/73/94/98/982739498.db2.gz CTLVHIUUGPMNHV-YLJYHZDGSA-N 1 0 414.912 3.980 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000438447211 982798465 /nfs/dbraw/zinc/79/84/65/982798465.db2.gz SXTQNLVNLCULMU-XYWHTSSQSA-N 1 0 412.484 3.856 20 30 HHEDRO CCOc1c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)nn1CC(C)C ZINC000438478899 982827814 /nfs/dbraw/zinc/82/78/14/982827814.db2.gz AQQDGOIXOLFGKW-UHFFFAOYSA-N 1 0 411.550 3.993 20 30 HHEDRO N#Cc1cccnc1OC1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000438632154 982952000 /nfs/dbraw/zinc/95/20/00/982952000.db2.gz SUQRFLLFZBFGEX-UHFFFAOYSA-N 1 0 404.514 3.669 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H](C[NH+](C)C)C3)sc2C1 ZINC000461364051 983041069 /nfs/dbraw/zinc/04/10/69/983041069.db2.gz SPYMQYDWAGWVNO-IAGOWNOFSA-N 1 0 416.635 3.983 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461424397 983087537 /nfs/dbraw/zinc/08/75/37/983087537.db2.gz GDTDTVZWSZDXDY-CUYJMHBOSA-N 1 0 417.553 3.942 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438825775 983098654 /nfs/dbraw/zinc/09/86/54/983098654.db2.gz WPHCPCLIWXXLHV-HXUWFJFHSA-N 1 0 412.486 3.606 20 30 HHEDRO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1cc(F)cc(C#N)c1 ZINC000461458972 983125769 /nfs/dbraw/zinc/12/57/69/983125769.db2.gz XKRFZEWQDBTDHM-RTWAWAEBSA-N 1 0 405.517 3.955 20 30 HHEDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000439016965 983212023 /nfs/dbraw/zinc/21/20/23/983212023.db2.gz GDZXIHCUPCJPTR-IBGZPJMESA-N 1 0 418.541 3.646 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000439437634 983408523 /nfs/dbraw/zinc/40/85/23/983408523.db2.gz ZOTWOBRMITUPML-MSOLQXFVSA-N 1 0 416.591 3.504 20 30 HHEDRO N#Cc1ccc(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000439447974 983413726 /nfs/dbraw/zinc/41/37/26/983413726.db2.gz GKPUWAMBPHDNSA-FQEVSTJZSA-N 1 0 409.965 3.641 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000439454651 983417728 /nfs/dbraw/zinc/41/77/28/983417728.db2.gz OGHCUXMMCQXNAZ-ZWKOTPCHSA-N 1 0 416.591 3.646 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000439555457 983447875 /nfs/dbraw/zinc/44/78/75/983447875.db2.gz CEZZSUCMMKAHQM-FQEVSTJZSA-N 1 0 421.541 3.668 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000439636710 983478953 /nfs/dbraw/zinc/47/89/53/983478953.db2.gz DJPZATVFLBQCCS-BSRJHKFKSA-N 1 0 406.530 3.585 20 30 HHEDRO CCCc1c(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439671740 983494348 /nfs/dbraw/zinc/49/43/48/983494348.db2.gz HVTXRIVZHWTMGE-KRWDZBQOSA-N 1 0 408.550 3.890 20 30 HHEDRO CCCc1c(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439673862 983495482 /nfs/dbraw/zinc/49/54/82/983495482.db2.gz VPCJZLHFZJCJMM-SFHVURJKSA-N 1 0 408.550 3.938 20 30 HHEDRO CCCc1c(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnn1-c1cccc(C#N)c1 ZINC000439674862 983496004 /nfs/dbraw/zinc/49/60/04/983496004.db2.gz QUDCNXIOUPSWPX-YQQQUEKLSA-N 1 0 406.534 3.833 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cnn1-c1cccc(C#N)c1 ZINC000439676625 983496990 /nfs/dbraw/zinc/49/69/90/983496990.db2.gz WZAIAHFVTITTIE-RXVVDRJESA-N 1 0 406.534 3.644 20 30 HHEDRO CCCc1c(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439706654 983510243 /nfs/dbraw/zinc/51/02/43/983510243.db2.gz WGKYAAGASCANNE-UWJYYQICSA-N 1 0 408.550 3.890 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000440280292 983705349 /nfs/dbraw/zinc/70/53/49/983705349.db2.gz HXOFFWWCLVLCAI-UHFFFAOYSA-N 1 0 420.513 3.542 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNc2c(C#N)cnc3c(Br)cccc32)CCCO1 ZINC000440660395 983842856 /nfs/dbraw/zinc/84/28/56/983842856.db2.gz DCQRHSGHTFTIDG-CQSZACIVSA-N 1 0 403.324 3.782 20 30 HHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)s2)cc1 ZINC000440714010 983865342 /nfs/dbraw/zinc/86/53/42/983865342.db2.gz TUCLKWBJHMWXFG-LJQANCHMSA-N 1 0 409.559 3.945 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@]2(CO)CCCc3ccccc32)ccc1Cl ZINC000440813690 983917945 /nfs/dbraw/zinc/91/79/45/983917945.db2.gz BMIZLJOWGBCOSS-HSZRJFAPSA-N 1 0 411.933 3.709 20 30 HHEDRO C=CCC[C@@H](NC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865777 983941966 /nfs/dbraw/zinc/94/19/66/983941966.db2.gz QCCJYQOGFHGXKG-VQIMIIECSA-N 1 0 412.500 3.648 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000440963988 984000421 /nfs/dbraw/zinc/00/04/21/984000421.db2.gz XBNQCOZVNSTGSS-IEBWSBKVSA-N 1 0 420.513 3.539 20 30 HHEDRO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000441069238 984053874 /nfs/dbraw/zinc/05/38/74/984053874.db2.gz NVEWJTWYOKBJQG-CPJSRVTESA-N 1 0 400.526 3.721 20 30 HHEDRO C[C@@H](O)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441220609 984122393 /nfs/dbraw/zinc/12/23/93/984122393.db2.gz CSOZQYHDKIUYSM-RTBURBONSA-N 1 0 413.949 3.901 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441332384 984190207 /nfs/dbraw/zinc/19/02/07/984190207.db2.gz JVMWRYRIXMBUBT-IRLDBZIGSA-N 1 0 421.541 3.869 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441399349 984230679 /nfs/dbraw/zinc/23/06/79/984230679.db2.gz DTAGRPOSXLQDHA-LVCYWYKZSA-N 1 0 412.603 3.826 20 30 HHEDRO C=CCC[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000441506509 984292645 /nfs/dbraw/zinc/29/26/45/984292645.db2.gz PATOFTOJFCDJBH-IBGZPJMESA-N 1 0 413.484 3.716 20 30 HHEDRO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC[C@H]([C@@H]3CCOC3)C1)CCCC2 ZINC000441665375 984383300 /nfs/dbraw/zinc/38/33/00/984383300.db2.gz RYWFONSJEFUPQE-RBUKOAKNSA-N 1 0 418.541 3.525 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000441695272 984400825 /nfs/dbraw/zinc/40/08/25/984400825.db2.gz XKPUJTCTMPBAMH-CBGDNZLLSA-N 1 0 424.570 3.684 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c1C#N ZINC000441998539 984586397 /nfs/dbraw/zinc/58/63/97/984586397.db2.gz NZJYDGHNNDSRBS-QUCCMNQESA-N 1 0 406.530 3.687 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1F ZINC000442074317 984623518 /nfs/dbraw/zinc/62/35/18/984623518.db2.gz CGOWNWXYESKOAH-UHFFFAOYSA-N 1 0 410.371 3.979 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000461727576 984742383 /nfs/dbraw/zinc/74/23/83/984742383.db2.gz GBAIIUCJXVLSMC-NYVOZVTQSA-N 1 0 422.577 3.552 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC000442272525 984784039 /nfs/dbraw/zinc/78/40/39/984784039.db2.gz KGIDMGCPTNUGGK-UHFFFAOYSA-N 1 0 413.905 3.837 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Sc3ccccc3)cc2C)CC1 ZINC000442300839 984798644 /nfs/dbraw/zinc/79/86/44/984798644.db2.gz ZXTCTSPCOPQDBE-UHFFFAOYSA-N 1 0 409.555 3.851 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2c(C)cccc2C)CC1 ZINC000442309535 984806328 /nfs/dbraw/zinc/80/63/28/984806328.db2.gz WXFXQOFKQLOSJQ-UHFFFAOYSA-N 1 0 407.514 3.801 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cc2ccccc2o1 ZINC000442884031 985259368 /nfs/dbraw/zinc/25/93/68/985259368.db2.gz JIKZIHSIBHSEQA-SJLPKXTDSA-N 1 0 408.527 3.554 20 30 HHEDRO N#Cc1cc(F)ccc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000443068248 985360016 /nfs/dbraw/zinc/36/00/16/985360016.db2.gz HGAARZAGNMBDJV-UHFFFAOYSA-N 1 0 421.925 3.541 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443136614 985399273 /nfs/dbraw/zinc/39/92/73/985399273.db2.gz XMOKUULDDPJOJR-FUHWJXTLSA-N 1 0 417.962 3.885 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443136618 985399707 /nfs/dbraw/zinc/39/97/07/985399707.db2.gz XMOKUULDDPJOJR-WMZOPIPTSA-N 1 0 417.962 3.885 20 30 HHEDRO CCN(C(=O)NCc1ccc(C#N)c(OC)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462476616 985433594 /nfs/dbraw/zinc/43/35/94/985433594.db2.gz AQBLYKANTXDELC-GCJKJVERSA-N 1 0 406.530 3.934 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1C ZINC000443374816 985534962 /nfs/dbraw/zinc/53/49/62/985534962.db2.gz QJKCYTHGUXMKBP-YLJYHZDGSA-N 1 0 420.513 3.620 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@H]1C ZINC000443374814 985535457 /nfs/dbraw/zinc/53/54/57/985535457.db2.gz QJKCYTHGUXMKBP-XLIONFOSSA-N 1 0 420.513 3.620 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1C ZINC000443384905 985543138 /nfs/dbraw/zinc/54/31/38/985543138.db2.gz KZHFCHUSQPNBKJ-FXAWDEMLSA-N 1 0 420.513 3.620 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443456443 985626565 /nfs/dbraw/zinc/62/65/65/985626565.db2.gz QKRWPGMATMJBHL-LJQANCHMSA-N 1 0 403.448 3.693 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ccc(C(F)(F)F)c(C#N)n3)cc2)C[C@@H](C)O1 ZINC000443522251 985692451 /nfs/dbraw/zinc/69/24/51/985692451.db2.gz YCDLFVIWMBLUKB-HUUCEWRRSA-N 1 0 404.436 4.193 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1cc(Br)cn1C)C(C)C ZINC000468037413 985694776 /nfs/dbraw/zinc/69/47/76/985694776.db2.gz IRYNKQYDIPODCQ-SFHVURJKSA-N 1 0 411.388 3.628 20 30 HHEDRO C=CC[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000462830131 985752189 /nfs/dbraw/zinc/75/21/89/985752189.db2.gz UQKINXBTBKXDNN-UHFFFAOYSA-N 1 0 423.469 3.675 20 30 HHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000443681273 985893310 /nfs/dbraw/zinc/89/33/10/985893310.db2.gz LYDMMNWDVYRRQC-WOJBJXKFSA-N 1 0 421.541 3.756 20 30 HHEDRO Cc1cc(S(=O)(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000443876385 986077847 /nfs/dbraw/zinc/07/78/47/986077847.db2.gz HWRMHVIJOBTXEK-UHFFFAOYSA-N 1 0 409.555 3.544 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000463203106 986174811 /nfs/dbraw/zinc/17/48/11/986174811.db2.gz JKADYILHQIIMJX-ZLNRFVROSA-N 1 0 413.562 3.738 20 30 HHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207049 986179117 /nfs/dbraw/zinc/17/91/17/986179117.db2.gz YPXHPLCBMPCLTA-NJYVYQBISA-N 1 0 422.491 3.579 20 30 HHEDRO Cc1noc(C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2)n1 ZINC000463242566 986211033 /nfs/dbraw/zinc/21/10/33/986211033.db2.gz JSQWWJQRRXBHHX-HSZRJFAPSA-N 1 0 401.514 3.788 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](CO)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000463245210 986212713 /nfs/dbraw/zinc/21/27/13/986212713.db2.gz YJSONEBNBBHTEU-FQEVSTJZSA-N 1 0 419.447 3.744 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](CO)c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000463245211 986213015 /nfs/dbraw/zinc/21/30/15/986213015.db2.gz YJSONEBNBBHTEU-HXUWFJFHSA-N 1 0 419.447 3.744 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000463252518 986220466 /nfs/dbraw/zinc/22/04/66/986220466.db2.gz OHSINXSDPPUDEN-QHCPKHFHSA-N 1 0 422.960 3.567 20 30 HHEDRO N#CC1(CS(=O)(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000463354851 986320821 /nfs/dbraw/zinc/32/08/21/986320821.db2.gz QZJRDKROAXNJJJ-UHFFFAOYSA-N 1 0 409.555 3.673 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)cc1 ZINC000444143498 986330646 /nfs/dbraw/zinc/33/06/46/986330646.db2.gz QCOCKWXWYQFUEM-UHFFFAOYSA-N 1 0 404.514 3.815 20 30 HHEDRO CC1CC[NH+](CCCCNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000444200181 986378527 /nfs/dbraw/zinc/37/85/27/986378527.db2.gz WRVTYGMGRHERNW-UHFFFAOYSA-N 1 0 417.985 3.555 20 30 HHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468784264 986495718 /nfs/dbraw/zinc/49/57/18/986495718.db2.gz BGSXBMYHDYOEMA-MRXNPFEDSA-N 1 0 401.470 3.564 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000444394792 986571996 /nfs/dbraw/zinc/57/19/96/986571996.db2.gz JAUMFCXFEFOBDV-UHFFFAOYSA-N 1 0 416.913 3.967 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000444396001 986573867 /nfs/dbraw/zinc/57/38/67/986573867.db2.gz LRLZFDXAVISTPV-QGZVFWFLSA-N 1 0 408.930 3.597 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)on2)c1 ZINC000468880319 986587504 /nfs/dbraw/zinc/58/75/04/986587504.db2.gz HHAHFVFDDVGZHY-UHFFFAOYSA-N 1 0 416.481 3.618 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000463657118 986636797 /nfs/dbraw/zinc/63/67/97/986636797.db2.gz HKYMRVKULRWOOP-UHFFFAOYSA-N 1 0 423.380 3.685 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3noc(-c4ccc(F)cc4F)n3)CC2)cc1 ZINC000444569607 986761431 /nfs/dbraw/zinc/76/14/31/986761431.db2.gz FTFRISOZRLQMPG-UHFFFAOYSA-N 1 0 409.440 3.594 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1c(F)cccc1F ZINC000469057980 986769667 /nfs/dbraw/zinc/76/96/67/986769667.db2.gz QBWUPLVMSZVWNZ-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000463789445 986780476 /nfs/dbraw/zinc/78/04/76/986780476.db2.gz QCHNUGUROJGTNZ-UHFFFAOYSA-N 1 0 406.461 3.923 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3nc2-c2scnc2C)CC1 ZINC000463799342 986790479 /nfs/dbraw/zinc/79/04/79/986790479.db2.gz OJDNENVSUYZINZ-UHFFFAOYSA-N 1 0 409.559 3.625 20 30 HHEDRO COc1cc(N2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)ncn1 ZINC000444669692 986854146 /nfs/dbraw/zinc/85/41/46/986854146.db2.gz FTUKBFFCYJHLEA-UHFFFAOYSA-N 1 0 413.525 3.507 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469231714 986952548 /nfs/dbraw/zinc/95/25/48/986952548.db2.gz JTKQXVSTYMOXAO-UWJYYQICSA-N 1 0 400.482 3.996 20 30 HHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000444824689 986980026 /nfs/dbraw/zinc/98/00/26/986980026.db2.gz AEFISURPXZLDEE-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000444899568 987048386 /nfs/dbraw/zinc/04/83/86/987048386.db2.gz IJZYLFLZDXWISH-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469494558 987174280 /nfs/dbraw/zinc/17/42/80/987174280.db2.gz VDCWWKOZMSLCHW-KUHUBIRLSA-N 1 0 405.420 3.763 20 30 HHEDRO N#CCCCn1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c2ccccc21 ZINC000469501425 987179346 /nfs/dbraw/zinc/17/93/46/987179346.db2.gz KIBFYWHIFTUDRN-UHFFFAOYSA-N 1 0 408.546 3.662 20 30 HHEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)nc2)C1 ZINC000469703825 987360957 /nfs/dbraw/zinc/36/09/57/987360957.db2.gz VOFKMJNSKUESPE-IBGZPJMESA-N 1 0 416.529 3.733 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000469787983 987432743 /nfs/dbraw/zinc/43/27/43/987432743.db2.gz SHKJZRLFKJFPSK-QZTJIDSGSA-N 1 0 401.514 3.854 20 30 HHEDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000470170599 988086186 /nfs/dbraw/zinc/08/61/86/988086186.db2.gz XRMGMHUGEYNVAC-IEBWSBKVSA-N 1 0 424.520 3.602 20 30 HHEDRO CCC[C@H]1CN(CCOc2ccccc2C#N)CC[N@@H+]1CCOc1ccccc1C#N ZINC000470221359 988150226 /nfs/dbraw/zinc/15/02/26/988150226.db2.gz YFQVZZGCEJJJBZ-QHCPKHFHSA-N 1 0 418.541 3.674 20 30 HHEDRO N#CC1(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000464287839 988409831 /nfs/dbraw/zinc/40/98/31/988409831.db2.gz XLEFIVIDLSCDOI-HXUWFJFHSA-N 1 0 422.960 3.841 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+]1CCC(C)CC1 ZINC000470533450 988537040 /nfs/dbraw/zinc/53/70/40/988537040.db2.gz UKILZWGNHHKJOD-SFHVURJKSA-N 1 0 411.550 3.511 20 30 HHEDRO COc1cc(C#N)ccc1S(=O)(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000464429520 988601069 /nfs/dbraw/zinc/60/10/69/988601069.db2.gz WKQVGMDYGSTLKD-QGZVFWFLSA-N 1 0 413.543 3.509 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470674019 988697808 /nfs/dbraw/zinc/69/78/08/988697808.db2.gz JFCNVSGHFLHGAE-QFIPXVFZSA-N 1 0 421.541 3.849 20 30 HHEDRO N#Cc1cc(Oc2ccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc2)ccn1 ZINC000464668597 988866167 /nfs/dbraw/zinc/86/61/67/988866167.db2.gz MFVZCVGCZNSSDR-UHFFFAOYSA-N 1 0 406.486 3.719 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470831992 988905551 /nfs/dbraw/zinc/90/55/51/988905551.db2.gz PDKHSOLXBPHVFK-DVECYGJZSA-N 1 0 400.526 3.931 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464837783 989081475 /nfs/dbraw/zinc/08/14/75/989081475.db2.gz ULGPDDCSYSGELX-YADHBBJMSA-N 1 0 404.558 3.918 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843020 989090898 /nfs/dbraw/zinc/09/08/98/989090898.db2.gz ORVVJEUXIADMOQ-IFMALSPDSA-N 1 0 422.548 3.915 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471023302 989094333 /nfs/dbraw/zinc/09/43/33/989094333.db2.gz RWMHJPTUAFZZEX-FCEUIQTBSA-N 1 0 409.599 3.715 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000471033194 989105702 /nfs/dbraw/zinc/10/57/02/989105702.db2.gz SOMQUSBYHREQSQ-HXUWFJFHSA-N 1 0 407.562 3.568 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000471033193 989105721 /nfs/dbraw/zinc/10/57/21/989105721.db2.gz SOMQUSBYHREQSQ-FQEVSTJZSA-N 1 0 407.562 3.568 20 30 HHEDRO C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C2(CCCCC2)C1 ZINC000471040105 989116025 /nfs/dbraw/zinc/11/60/25/989116025.db2.gz XYBZNORXJZNJOT-UHFFFAOYSA-N 1 0 400.592 3.777 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000464862729 989119118 /nfs/dbraw/zinc/11/91/18/989119118.db2.gz KYOWRNFPATWIII-UHFFFAOYSA-N 1 0 418.541 3.513 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000471045333 989123463 /nfs/dbraw/zinc/12/34/63/989123463.db2.gz YXMVNKKQZFNQOS-DLBZAZTESA-N 1 0 402.608 3.737 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000471074119 989164236 /nfs/dbraw/zinc/16/42/36/989164236.db2.gz CQGVXPFKZZSTTR-UHFFFAOYSA-N 1 0 406.530 3.777 20 30 HHEDRO CCC[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000471095540 989190624 /nfs/dbraw/zinc/19/06/24/989190624.db2.gz NKVGTSVKGGVSJG-DNQXCXABSA-N 1 0 400.526 3.754 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000471164972 989287773 /nfs/dbraw/zinc/28/77/73/989287773.db2.gz KVRHSZAAUDMPFQ-HSZRJFAPSA-N 1 0 420.557 3.933 20 30 HHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1 ZINC000471390141 989569175 /nfs/dbraw/zinc/56/91/75/989569175.db2.gz XVJZOCUZJOWHPW-QHCPKHFHSA-N 1 0 419.573 3.636 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(N2CCCCC2)c2ncccc12 ZINC000471413392 989591295 /nfs/dbraw/zinc/59/12/95/989591295.db2.gz NNBMTTYUOUKCMT-UHFFFAOYSA-N 1 0 408.550 3.924 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)NCCOc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000465425897 989770373 /nfs/dbraw/zinc/77/03/73/989770373.db2.gz CDOTUXVCVSKPHY-FQEVSTJZSA-N 1 0 412.559 3.771 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000471575766 989778062 /nfs/dbraw/zinc/77/80/62/989778062.db2.gz ZSIHLCKVEXVJJH-DEOSSOPVSA-N 1 0 421.541 3.710 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)c2)CC1 ZINC000471637756 989843946 /nfs/dbraw/zinc/84/39/46/989843946.db2.gz ZFXVXWPXRQVFKT-HSZRJFAPSA-N 1 0 406.530 3.742 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c(OC)c1 ZINC000471645887 989851664 /nfs/dbraw/zinc/85/16/64/989851664.db2.gz JLHFWPJIBYHBLT-UHFFFAOYSA-N 1 0 409.530 3.583 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000471743657 989938790 /nfs/dbraw/zinc/93/87/90/989938790.db2.gz HVKPBCAPNAKYTO-NTKDMRAZSA-N 1 0 400.526 3.931 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)n1 ZINC000471878910 990051568 /nfs/dbraw/zinc/05/15/68/990051568.db2.gz WRUBYVBDFWIGGY-JTHBVZDNSA-N 1 0 423.605 3.593 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000465811146 990194438 /nfs/dbraw/zinc/19/44/38/990194438.db2.gz LCMTZVSNYXQNBR-UHFFFAOYSA-N 1 0 406.530 3.812 20 30 HHEDRO COc1ccc([C@H](C)CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000466042788 991213343 /nfs/dbraw/zinc/21/33/43/991213343.db2.gz TVEHPPXKUIWAIX-LJQANCHMSA-N 1 0 408.546 3.834 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000466204987 991406930 /nfs/dbraw/zinc/40/69/30/991406930.db2.gz VWPCLUSFIOXQQN-UHFFFAOYSA-N 1 0 402.473 3.878 20 30 HHEDRO C[N@H+](CCOc1cccc(CNc2cc(C#N)ccc2[N+](=O)[O-])c1)C1CCOCC1 ZINC000466360066 991628538 /nfs/dbraw/zinc/62/85/38/991628538.db2.gz XACYSQYWMXJIJA-UHFFFAOYSA-N 1 0 410.474 3.568 20 30 HHEDRO COc1ccc(-c2cncc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)cc1 ZINC000466447053 991736714 /nfs/dbraw/zinc/73/67/14/991736714.db2.gz WKSZSWZXYVKQFQ-UHFFFAOYSA-N 1 0 414.509 3.833 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)CCC2CCOCC2)c1C#N ZINC000466478449 991770409 /nfs/dbraw/zinc/77/04/09/991770409.db2.gz CXBCBKLCQYYAQY-UHFFFAOYSA-N 1 0 412.509 3.792 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466522585 991816076 /nfs/dbraw/zinc/81/60/76/991816076.db2.gz NLRWJGIAKLTJCP-DENIHFKCSA-N 1 0 418.541 3.774 20 30 HHEDRO CN(C(=O)Nc1ncccc1OCCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000466606238 991923620 /nfs/dbraw/zinc/92/36/20/991923620.db2.gz GIODIOHZBBFLSM-UHFFFAOYSA-N 1 0 407.518 3.892 20 30 HHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000466694768 992008598 /nfs/dbraw/zinc/00/85/98/992008598.db2.gz LPSBGPPTHSQCMG-LJQANCHMSA-N 1 0 416.529 3.578 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000466814507 992123410 /nfs/dbraw/zinc/12/34/10/992123410.db2.gz HOTKOOHLTCFTLF-UHFFFAOYSA-N 1 0 411.937 3.718 20 30 HHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000466971549 992284001 /nfs/dbraw/zinc/28/40/01/992284001.db2.gz SGXBYYWTDZTDTN-LJQANCHMSA-N 1 0 416.529 3.578 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000467046126 992355309 /nfs/dbraw/zinc/35/53/09/992355309.db2.gz MVWUXWCOEMZBKZ-GHTZIAJQSA-N 1 0 407.514 3.505 20 30 HHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 ZINC000467271282 992592448 /nfs/dbraw/zinc/59/24/48/992592448.db2.gz LOKRMBDKVVZTJW-IBGZPJMESA-N 1 0 420.557 3.915 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(c2cncc(Br)c2)CC1)C(C)C ZINC000467283816 992606030 /nfs/dbraw/zinc/60/60/30/992606030.db2.gz MBTANHYVFIHAGW-GOSISDBHSA-N 1 0 406.368 3.691 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000467431516 992729976 /nfs/dbraw/zinc/72/99/76/992729976.db2.gz ALDYNTMTDXZQJJ-UHFFFAOYSA-N 1 0 407.923 3.733 20 30 HHEDRO C[C@H]1CC[N@H+](CCOc2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)C1 ZINC000467440037 992736461 /nfs/dbraw/zinc/73/64/61/992736461.db2.gz PPJBPZYWFOGFBU-HNNXBMFYSA-N 1 0 419.934 3.733 20 30 HHEDRO N#Cc1cccc(CC[NH2+]Cc2cc(Br)cc(Br)c2N)c1 ZINC000467542750 992821607 /nfs/dbraw/zinc/82/16/07/992821607.db2.gz LMUJGMNRPIGYCG-UHFFFAOYSA-N 1 0 409.125 3.998 20 30 HHEDRO CC(C)(C)Oc1cccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000467749186 992996302 /nfs/dbraw/zinc/99/63/02/992996302.db2.gz ZWEKJITTZDLNQI-UHFFFAOYSA-N 1 0 420.557 3.798 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472315007 993326867 /nfs/dbraw/zinc/32/68/67/993326867.db2.gz RKQRDZHWMBXVMA-UNMCSNQZSA-N 1 0 422.573 3.905 20 30 HHEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000472456439 993459227 /nfs/dbraw/zinc/45/92/27/993459227.db2.gz ONBWGNHLIDLUCB-UHFFFAOYSA-N 1 0 409.555 3.675 20 30 HHEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000472522794 993513666 /nfs/dbraw/zinc/51/36/66/993513666.db2.gz SVPXUNSOCTWJEZ-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)c1C#N ZINC000472609590 993560478 /nfs/dbraw/zinc/56/04/78/993560478.db2.gz HSIZQDADBPTIIG-OAHLLOKOSA-N 1 0 412.509 3.669 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)c1C#N ZINC000472629313 993570710 /nfs/dbraw/zinc/57/07/10/993570710.db2.gz KVFXDHCLNCZHSC-QGZVFWFLSA-N 1 0 408.546 3.589 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480839372 993713726 /nfs/dbraw/zinc/71/37/26/993713726.db2.gz DVUPEJXHYAEYMD-FGZHOGPDSA-N 1 0 409.555 3.542 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000472819159 993754665 /nfs/dbraw/zinc/75/46/65/993754665.db2.gz YZLZSTBNOZTRPG-UHFFFAOYSA-N 1 0 405.542 3.868 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)C1 ZINC000481013421 993856174 /nfs/dbraw/zinc/85/61/74/993856174.db2.gz LRDZOQQFQVURLR-KRWDZBQOSA-N 1 0 415.534 3.549 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000481065794 993906229 /nfs/dbraw/zinc/90/62/29/993906229.db2.gz YFQHMAPEZGGELM-QGZVFWFLSA-N 1 0 415.534 3.549 20 30 HHEDRO C=CCOc1ccc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000473517346 994372010 /nfs/dbraw/zinc/37/20/10/994372010.db2.gz IEZUNVQDIVUKLR-UHFFFAOYSA-N 1 0 412.452 3.795 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473522064 994377288 /nfs/dbraw/zinc/37/72/88/994377288.db2.gz LPDKXHSEJZXSSA-UHFFFAOYSA-N 1 0 409.452 3.637 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2=O)c1 ZINC000481667734 994528167 /nfs/dbraw/zinc/52/81/67/994528167.db2.gz HJUVMRHUTFIGFH-GOTSBHOMSA-N 1 0 405.498 3.738 20 30 HHEDRO CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481917512 994789617 /nfs/dbraw/zinc/78/96/17/994789617.db2.gz HRZUAKRWOWBUNW-OAQYLSRUSA-N 1 0 407.514 3.639 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)CN2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000482007664 994911610 /nfs/dbraw/zinc/91/16/10/994911610.db2.gz HYMVSRSDRNEHTN-BBGGBZKHSA-N 1 0 423.601 3.522 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000473988206 994975576 /nfs/dbraw/zinc/97/55/76/994975576.db2.gz SFQNLMNGZDKXOF-OFNKIYASSA-N 1 0 409.530 3.646 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000482208928 995192569 /nfs/dbraw/zinc/19/25/69/995192569.db2.gz IEGZUPBNGQROJA-HXUWFJFHSA-N 1 0 421.541 3.513 20 30 HHEDRO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474236158 995233480 /nfs/dbraw/zinc/23/34/80/995233480.db2.gz XFLMOCVXALABQW-JOCHJYFZSA-N 1 0 410.949 3.793 20 30 HHEDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495371 995505544 /nfs/dbraw/zinc/50/55/44/995505544.db2.gz IJXOHDWYAJJCHI-JTHBVZDNSA-N 1 0 408.498 3.680 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000482522385 995531196 /nfs/dbraw/zinc/53/11/96/995531196.db2.gz IVOFMLMLUWTVSJ-UHFFFAOYSA-N 1 0 400.954 3.972 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc1 ZINC000474832937 995738007 /nfs/dbraw/zinc/73/80/07/995738007.db2.gz QGPICDCFASKOJQ-QFIPXVFZSA-N 1 0 404.514 3.530 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc1 ZINC000474832933 995738102 /nfs/dbraw/zinc/73/81/02/995738102.db2.gz QGPICDCFASKOJQ-JOCHJYFZSA-N 1 0 404.514 3.530 20 30 HHEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000474940910 995814789 /nfs/dbraw/zinc/81/47/89/995814789.db2.gz JBHNIVIKSAKEEQ-LLGFUMIMSA-N 1 0 407.514 3.853 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000482893404 995823452 /nfs/dbraw/zinc/82/34/52/995823452.db2.gz ZTSKJDJNJNDVMQ-YOEHRIQHSA-N 1 0 419.497 3.560 20 30 HHEDRO CCN(CCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)CC(F)(F)F ZINC000475016432 995872586 /nfs/dbraw/zinc/87/25/86/995872586.db2.gz LZNPHCCZBGJBTP-UHFFFAOYSA-N 1 0 405.468 3.503 20 30 HHEDRO Cc1cccc(CC2(O)CC[NH+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)c1 ZINC000482952112 995877207 /nfs/dbraw/zinc/87/72/07/995877207.db2.gz XDKRYSSHDWFUOX-KWLQHXCVSA-N 1 0 411.590 3.684 20 30 HHEDRO C=CCOc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1Cl ZINC000475086911 995912880 /nfs/dbraw/zinc/91/28/80/995912880.db2.gz DBZHFXHVJVHRDF-ROUUACIJSA-N 1 0 404.917 3.739 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000475352126 996084657 /nfs/dbraw/zinc/08/46/57/996084657.db2.gz IGTQIFBVORQVDF-UHFFFAOYSA-N 1 0 410.484 3.642 20 30 HHEDRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475352102 996084724 /nfs/dbraw/zinc/08/47/24/996084724.db2.gz HYYVYXIXGONRLY-JOCHJYFZSA-N 1 0 406.921 3.612 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000483396065 996149595 /nfs/dbraw/zinc/14/95/95/996149595.db2.gz OQSPQKDYODCNCN-GGAORHGYSA-N 1 0 421.566 3.789 20 30 HHEDRO Cc1cccc(CC2(O)CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000475499785 996183095 /nfs/dbraw/zinc/18/30/95/996183095.db2.gz AOFGWQYNLNSGOQ-UHFFFAOYSA-N 1 0 415.541 3.737 20 30 HHEDRO CCCCCn1nc(C)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000483483928 996210419 /nfs/dbraw/zinc/21/04/19/996210419.db2.gz HQLHYDQYYUXGHU-UHFFFAOYSA-N 1 0 408.550 3.993 20 30 HHEDRO C=CCc1cc(CN(CCO)Cc2ccc(Br)s2)cc(OC)c1O ZINC000483502761 996221487 /nfs/dbraw/zinc/22/14/87/996221487.db2.gz OFXQXJWTXSJNCT-UHFFFAOYSA-N 1 0 412.349 3.948 20 30 HHEDRO C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(Cc2ccccc2)no1 ZINC000483634448 996299327 /nfs/dbraw/zinc/29/93/27/996299327.db2.gz CUEIXBITZZUBLZ-GOSISDBHSA-N 1 0 401.514 3.847 20 30 HHEDRO N#Cc1cc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000483638948 996301864 /nfs/dbraw/zinc/30/18/64/996301864.db2.gz SNTACVKEGANBBR-UHFFFAOYSA-N 1 0 410.493 3.890 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[N@H+](Cc2cccc(Br)c2)CC2CC2)cc1 ZINC000475741284 996340380 /nfs/dbraw/zinc/34/03/80/996340380.db2.gz XFWUECJMRLNXFD-UHFFFAOYSA-N 1 0 412.331 3.849 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2Br)CC1 ZINC000475744395 996342869 /nfs/dbraw/zinc/34/28/69/996342869.db2.gz CAAZTIPQIXNKFU-UHFFFAOYSA-N 1 0 419.367 3.609 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475752497 996348845 /nfs/dbraw/zinc/34/88/45/996348845.db2.gz ZMYLVNMOXMKUCR-NLFFAJNJSA-N 1 0 402.542 3.873 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000476136269 996626221 /nfs/dbraw/zinc/62/62/21/996626221.db2.gz FMYGQUICJJPTJR-GGAORHGYSA-N 1 0 418.541 3.879 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000476136251 996626252 /nfs/dbraw/zinc/62/62/52/996626252.db2.gz FMYGQUICJJPTJR-FYYLOGMGSA-N 1 0 418.541 3.879 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000484338556 996712905 /nfs/dbraw/zinc/71/29/05/996712905.db2.gz WHYJBNVLUYYZEQ-OFVILXPXSA-N 1 0 416.569 3.576 20 30 HHEDRO CC(C)(CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C[NH+]1CCCC1 ZINC000484343232 996716308 /nfs/dbraw/zinc/71/63/08/996716308.db2.gz LUKIRNKWMQSZCM-UHFFFAOYSA-N 1 0 400.914 3.641 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000484356361 996725634 /nfs/dbraw/zinc/72/56/34/996725634.db2.gz AENQUQHYSVQQOP-UHFFFAOYSA-N 1 0 415.537 3.548 20 30 HHEDRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000484480777 996800300 /nfs/dbraw/zinc/80/03/00/996800300.db2.gz RRGQLCAARWAXJM-AWEZNQCLSA-N 1 0 403.548 3.633 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccs1 ZINC000476537270 997027637 /nfs/dbraw/zinc/02/76/37/997027637.db2.gz NFKPHZBURINSLG-ACBHZAAOSA-N 1 0 412.559 3.912 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000476636966 997162378 /nfs/dbraw/zinc/16/23/78/997162378.db2.gz ZDILYAZOFOEJNL-JOCHJYFZSA-N 1 0 409.530 3.896 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CC[C@@H](C)C1 ZINC000484895949 997264014 /nfs/dbraw/zinc/26/40/14/997264014.db2.gz RDXVIKTWWCZYJG-VQIMIIECSA-N 1 0 412.534 3.693 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1F ZINC000476815721 997372414 /nfs/dbraw/zinc/37/24/14/997372414.db2.gz DEKUPGUWQWNKJI-UHFFFAOYSA-N 1 0 405.499 3.832 20 30 HHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000476830373 997390889 /nfs/dbraw/zinc/39/08/89/997390889.db2.gz YKCYXWQGZZBBPE-UHFFFAOYSA-N 1 0 419.591 3.539 20 30 HHEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000485053422 997418283 /nfs/dbraw/zinc/41/82/83/997418283.db2.gz KRWYEJDOMRBJDR-UHFFFAOYSA-N 1 0 405.424 3.773 20 30 HHEDRO CCOc1ccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000485118384 997501536 /nfs/dbraw/zinc/50/15/36/997501536.db2.gz JKWZCNDAKGUQAK-UHFFFAOYSA-N 1 0 420.513 3.636 20 30 HHEDRO CCOc1ccccc1NC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000485122197 997506043 /nfs/dbraw/zinc/50/60/43/997506043.db2.gz QIYYNUQLCKSKLI-UHFFFAOYSA-N 1 0 420.513 3.636 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(F)c(Br)c3)C2=O)cc1 ZINC000485280634 997676445 /nfs/dbraw/zinc/67/64/45/997676445.db2.gz AYLCBUXPYYKGAK-SFHVURJKSA-N 1 0 402.267 3.745 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@]4(CCCOC4)C3)sc2C1 ZINC000477043552 997678888 /nfs/dbraw/zinc/67/88/88/997678888.db2.gz NFGYSDQMONRCQU-KSFYIVLOSA-N 1 0 401.576 3.966 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000485293172 997696069 /nfs/dbraw/zinc/69/60/69/997696069.db2.gz XSFKILGIFAHJNY-AOMKIAJQSA-N 1 0 402.498 3.753 20 30 HHEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485306371 997714173 /nfs/dbraw/zinc/71/41/73/997714173.db2.gz VJEKNOKGZILNHJ-NRFANRHFSA-N 1 0 405.498 3.799 20 30 HHEDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485314094 997723375 /nfs/dbraw/zinc/72/33/75/997723375.db2.gz DXYYUXDLXADFMF-VGOFRKELSA-N 1 0 419.529 3.934 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C#N ZINC000485343441 997762896 /nfs/dbraw/zinc/76/28/96/997762896.db2.gz FQGDTLKNSBYKNU-SIKLNZKXSA-N 1 0 411.594 3.836 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000477138248 997794891 /nfs/dbraw/zinc/79/48/91/997794891.db2.gz WMJDOVIFEHVBOQ-JOCHJYFZSA-N 1 0 422.529 3.564 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000477157426 997817453 /nfs/dbraw/zinc/81/74/53/997817453.db2.gz FWHXHJHONDRRLM-FMKPAKJESA-N 1 0 415.481 3.603 20 30 HHEDRO C=C(C)[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000477190975 997861307 /nfs/dbraw/zinc/86/13/07/997861307.db2.gz JEHYGWNZQGUEOR-KNQAVFIVSA-N 1 0 415.484 3.648 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000477491662 998213290 /nfs/dbraw/zinc/21/32/90/998213290.db2.gz AYGVBVJDHQMLFY-IBGZPJMESA-N 1 0 400.526 3.956 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000477756686 998503641 /nfs/dbraw/zinc/50/36/41/998503641.db2.gz YSHYUJRUDGGQCY-FQEVSTJZSA-N 1 0 402.445 3.517 20 30 HHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000477863367 998614045 /nfs/dbraw/zinc/61/40/45/998614045.db2.gz SGHYYVFIYQGTCL-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO CC(C)[C@@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000486250219 998675513 /nfs/dbraw/zinc/67/55/13/998675513.db2.gz AZMZMXYHZKYDIN-NRFANRHFSA-N 1 0 405.502 3.614 20 30 HHEDRO C=CCOc1ccccc1CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000486263414 998683570 /nfs/dbraw/zinc/68/35/70/998683570.db2.gz ZVOOHUDWHAVOMS-GHTZIAJQSA-N 1 0 422.525 3.754 20 30 HHEDRO CC[N@H+](C)CCNC(=O)c1sc(-c2ccc(OCC(C)C)c(C#N)c2)nc1C ZINC000486328879 998714542 /nfs/dbraw/zinc/71/45/42/998714542.db2.gz VXZPQWBJUUZXEH-UHFFFAOYSA-N 1 0 400.548 3.707 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000478023468 998718616 /nfs/dbraw/zinc/71/86/16/998718616.db2.gz ZWHVZZBCXMSMCS-RPWUZVMVSA-N 1 0 418.541 3.552 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)c1 ZINC000478073292 998749526 /nfs/dbraw/zinc/74/95/26/998749526.db2.gz TUTMNQVIUWXQPE-GOSISDBHSA-N 1 0 401.551 3.597 20 30 HHEDRO C[NH+](C)CCOc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)ccn1 ZINC000478081760 998752305 /nfs/dbraw/zinc/75/23/05/998752305.db2.gz NVUQTQZGYWQGHR-UHFFFAOYSA-N 1 0 402.454 3.938 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000478248200 998844595 /nfs/dbraw/zinc/84/45/95/998844595.db2.gz FZYBESIDSUNRBX-KRWDZBQOSA-N 1 0 416.591 3.648 20 30 HHEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486838334 998965691 /nfs/dbraw/zinc/96/56/91/998965691.db2.gz HNUGWGQCNGQNPS-AUSIDOKSSA-N 1 0 401.470 3.566 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486843453 998968638 /nfs/dbraw/zinc/96/86/38/998968638.db2.gz RJMRWGDDWFEJHU-DLQDVTGGSA-N 1 0 421.545 3.533 20 30 HHEDRO CCOc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc(Cl)c1OC ZINC000486852032 998973293 /nfs/dbraw/zinc/97/32/93/998973293.db2.gz BWGSCBOKRYYWKL-IBGZPJMESA-N 1 0 413.905 3.510 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000478613383 999046984 /nfs/dbraw/zinc/04/69/84/999046984.db2.gz DGGGDZQECWCCDK-MRXNPFEDSA-N 1 0 416.953 3.653 20 30 HHEDRO C=CCN(CCOC)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000478854945 999177164 /nfs/dbraw/zinc/17/71/64/999177164.db2.gz LOBUGJQGVLHPME-MJGOQNOKSA-N 1 0 413.484 3.932 20 30 HHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000487504886 999201823 /nfs/dbraw/zinc/20/18/23/999201823.db2.gz CMZDLBXHQCVITN-UHFFFAOYSA-N 1 0 410.587 3.869 20 30 HHEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)ccc1O ZINC000487507266 999202345 /nfs/dbraw/zinc/20/23/45/999202345.db2.gz ISNSILIHHSDZMP-AWEZNQCLSA-N 1 0 413.543 3.919 20 30 HHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487897064 999308528 /nfs/dbraw/zinc/30/85/28/999308528.db2.gz MYKBTROVWRKSNU-UHFFFAOYSA-N 1 0 407.337 3.978 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000487917028 999314841 /nfs/dbraw/zinc/31/48/41/999314841.db2.gz QZRWGULRIYXYMT-OAQYLSRUSA-N 1 0 400.563 3.917 20 30 HHEDRO CC[N@H+](CCNC(=O)Nc1ccc(C#N)c(Br)c1)CCC(F)(F)F ZINC000487927206 999318436 /nfs/dbraw/zinc/31/84/36/999318436.db2.gz ZLVIOEKPDPKWJJ-UHFFFAOYSA-N 1 0 407.234 3.717 20 30 HHEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000487966168 999330484 /nfs/dbraw/zinc/33/04/84/999330484.db2.gz IBWRZNKWFRLMRR-INIZCTEOSA-N 1 0 413.319 3.964 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479290778 999368111 /nfs/dbraw/zinc/36/81/11/999368111.db2.gz SZSOKAAQWBXXDE-UHFFFAOYSA-N 1 0 416.525 3.782 20 30 HHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1-c1ccc(C)cc1 ZINC000479304558 999375441 /nfs/dbraw/zinc/37/54/41/999375441.db2.gz DIKHQVIBZJGPDA-UHFFFAOYSA-N 1 0 413.525 3.777 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000479323859 999385326 /nfs/dbraw/zinc/38/53/26/999385326.db2.gz ZFTDZVVIVCEBTJ-NRFANRHFSA-N 1 0 411.546 3.697 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000488307296 999432952 /nfs/dbraw/zinc/43/29/52/999432952.db2.gz KTHDMOVQNCBTKD-HNNXBMFYSA-N 1 0 412.452 3.596 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)c(F)c1 ZINC000488464554 999495298 /nfs/dbraw/zinc/49/52/98/999495298.db2.gz JXBNFRLWOLUZSB-DJJJIMSYSA-N 1 0 416.294 3.912 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(Br)c1 ZINC000488484334 999503537 /nfs/dbraw/zinc/50/35/37/999503537.db2.gz UOFAOCBJAFIKMY-BFUOFWGJSA-N 1 0 416.294 3.912 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc4C3)C2=O)cc1 ZINC000488503980 999510454 /nfs/dbraw/zinc/51/04/54/999510454.db2.gz VZGRILZPBLGLHU-NHCUHLMSSA-N 1 0 424.342 3.569 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000488510813 999512959 /nfs/dbraw/zinc/51/29/59/999512959.db2.gz CNPQQEBQCJQQET-DENIHFKCSA-N 1 0 408.542 3.829 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c(C)c1C ZINC000488512083 999513320 /nfs/dbraw/zinc/51/33/20/999513320.db2.gz DQGPIYZEBCFTOF-AOMKIAJQSA-N 1 0 422.598 3.997 20 30 HHEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)CC1 ZINC000479675818 999532277 /nfs/dbraw/zinc/53/22/77/999532277.db2.gz SFUKWNSNHBCPCP-OAQYLSRUSA-N 1 0 420.582 3.561 20 30 HHEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C2)CC1 ZINC000479675816 999532297 /nfs/dbraw/zinc/53/22/97/999532297.db2.gz SFUKWNSNHBCPCP-NRFANRHFSA-N 1 0 420.582 3.561 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c(C#N)c(C)c1C ZINC000488896863 999639842 /nfs/dbraw/zinc/63/98/42/999639842.db2.gz GQVGBNLVBCJQDG-IBGZPJMESA-N 1 0 400.523 3.529 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCCC[NH+]2CCCCCC2)nnc1-c1ccco1 ZINC000479914234 999647141 /nfs/dbraw/zinc/64/71/41/999647141.db2.gz OAUGMEUIZDTVGD-UHFFFAOYSA-N 1 0 417.579 3.589 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489113895 999703245 /nfs/dbraw/zinc/70/32/45/999703245.db2.gz IDJDKJVNMFLTKR-LPHOPBHVSA-N 1 0 401.507 3.543 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000480596202 999836466 /nfs/dbraw/zinc/83/64/66/999836466.db2.gz QTLFFHJXFGBVLT-UHFFFAOYSA-N 1 0 410.358 3.870 20 30 HHEDRO C=C(C)[C@@H]([NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000480702464 999863423 /nfs/dbraw/zinc/86/34/23/999863423.db2.gz WLBNDTNAYYCLRG-QVKFZJNVSA-N 1 0 408.489 3.752 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490375697 999947472 /nfs/dbraw/zinc/94/74/72/999947472.db2.gz QNTXCWVXSPHECU-INIZCTEOSA-N 1 0 424.932 3.841 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000490379140 999948213 /nfs/dbraw/zinc/94/82/13/999948213.db2.gz IKZQBPWGQMDQJP-UHFFFAOYSA-N 1 0 421.541 3.705 20 30 HHEDRO N#Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c(Cl)c1 ZINC000490469648 999962607 /nfs/dbraw/zinc/96/26/07/999962607.db2.gz KNWDRQJEVCLLHO-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056081 1000040089 /nfs/dbraw/zinc/04/00/89/1000040089.db2.gz IEYPSDOUQPISBO-XZOQPEGZSA-N 1 0 416.606 3.751 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000491074096 1000042562 /nfs/dbraw/zinc/04/25/62/1000042562.db2.gz DCZIOYVUADKYCG-FQEVSTJZSA-N 1 0 401.507 3.598 20 30 HHEDRO Cn1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000491111957 1000046725 /nfs/dbraw/zinc/04/67/25/1000046725.db2.gz OOBUZJUWGYKVKN-QHCPKHFHSA-N 1 0 413.525 3.743 20 30 HHEDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000491182361 1000052622 /nfs/dbraw/zinc/05/26/22/1000052622.db2.gz JBEVHQKELDZELA-UHFFFAOYSA-N 1 0 417.513 3.563 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000492137748 1000111132 /nfs/dbraw/zinc/11/11/32/1000111132.db2.gz BJXAEVCVGFBPEK-UHFFFAOYSA-N 1 0 405.699 3.941 20 30 HHEDRO Cn1cc([C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c2cccc(F)c2)cn1 ZINC000492249239 1000117828 /nfs/dbraw/zinc/11/78/28/1000117828.db2.gz CVUGOYOCYAPSBO-REWPJTCUSA-N 1 0 407.468 3.918 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](CO)c3ccc(Br)c(F)c3)CC2)cc1 ZINC000492312413 1000121235 /nfs/dbraw/zinc/12/12/35/1000121235.db2.gz LFHHMBGOJIUDCY-FQEVSTJZSA-N 1 0 418.310 3.752 20 30 HHEDRO COc1cc2c(cc1OC)CC[NH+](Cc1cc(C#N)ccc1Br)CC2 ZINC000492486152 1000129081 /nfs/dbraw/zinc/12/90/81/1000129081.db2.gz PKFYJNABPRGGIG-UHFFFAOYSA-N 1 0 401.304 3.939 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000493918955 1000214334 /nfs/dbraw/zinc/21/43/34/1000214334.db2.gz BDJNAPKSCLGRCY-IIBYNOLFSA-N 1 0 414.912 3.840 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000504455097 1000216085 /nfs/dbraw/zinc/21/60/85/1000216085.db2.gz BGTVSYUXLHNCHW-UHFFFAOYSA-N 1 0 420.557 3.913 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCS[C@@H](C)CC2)c1C#N ZINC000494068509 1000293114 /nfs/dbraw/zinc/29/31/14/1000293114.db2.gz ICYIGDKZYMGYIJ-HNNXBMFYSA-N 1 0 400.548 3.774 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000494239552 1000381139 /nfs/dbraw/zinc/38/11/39/1000381139.db2.gz YFAFPZKEJMTELI-DNQXCXABSA-N 1 0 403.526 3.586 20 30 HHEDRO C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000504870300 1000416245 /nfs/dbraw/zinc/41/62/45/1000416245.db2.gz QYJOCGJOYSDNNW-QGZVFWFLSA-N 1 0 415.459 3.803 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494468878 1000508947 /nfs/dbraw/zinc/50/89/47/1000508947.db2.gz SMAHYPOERCBYHK-AHYKXKOGSA-N 1 0 417.481 3.833 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494468903 1000509145 /nfs/dbraw/zinc/50/91/45/1000509145.db2.gz SMAHYPOERCBYHK-OWOPXTPDSA-N 1 0 417.481 3.833 20 30 HHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000494668684 1000596607 /nfs/dbraw/zinc/59/66/07/1000596607.db2.gz SHGIGODVYPOCNH-IBGZPJMESA-N 1 0 408.527 3.597 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000494832956 1000684379 /nfs/dbraw/zinc/68/43/79/1000684379.db2.gz ARCVKZMYFYBJIO-UHFFFAOYSA-N 1 0 406.246 3.775 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)c1 ZINC000505336836 1000710498 /nfs/dbraw/zinc/71/04/98/1000710498.db2.gz DNDRRKXBHHJBTA-UHFFFAOYSA-N 1 0 422.548 3.612 20 30 HHEDRO CC[C@@](C)(C#N)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000505337629 1000710848 /nfs/dbraw/zinc/71/08/48/1000710848.db2.gz KOWYRUPOZGTQDS-FQEVSTJZSA-N 1 0 410.484 3.664 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCC1)CCCC2 ZINC000495027474 1000786988 /nfs/dbraw/zinc/78/69/88/1000786988.db2.gz KUEVOHKWCOLGFR-NQIIRXRSSA-N 1 0 410.562 3.621 20 30 HHEDRO C=CC[C@@H](C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1)c1ccccc1 ZINC000495138853 1000879334 /nfs/dbraw/zinc/87/93/34/1000879334.db2.gz OEWOOBMJRCWVNZ-HSZRJFAPSA-N 1 0 411.590 3.528 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC000505731066 1000997484 /nfs/dbraw/zinc/99/74/84/1000997484.db2.gz HBCVIYUNQCZXQE-GOTSBHOMSA-N 1 0 417.509 3.621 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000505866529 1001069015 /nfs/dbraw/zinc/06/90/15/1001069015.db2.gz RGXSNDLKKLGUIQ-JOCHJYFZSA-N 1 0 421.541 3.706 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000505929359 1001109186 /nfs/dbraw/zinc/10/91/86/1001109186.db2.gz CIYQKIZZRIKUJD-FPOVZHCZSA-N 1 0 400.563 3.916 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000496205753 1001140036 /nfs/dbraw/zinc/14/00/36/1001140036.db2.gz VHYXHKCNXSCQOG-UHFFFAOYSA-N 1 0 421.607 3.611 20 30 HHEDRO C=CCOc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000496210578 1001140498 /nfs/dbraw/zinc/14/04/98/1001140498.db2.gz KZBSKKVRXUXMDI-NRFANRHFSA-N 1 0 409.530 3.782 20 30 HHEDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000496329443 1001159973 /nfs/dbraw/zinc/15/99/73/1001159973.db2.gz NRQWBISQLRPKAY-NSHDSACASA-N 1 0 411.453 3.696 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccs1 ZINC000506152394 1001250946 /nfs/dbraw/zinc/25/09/46/1001250946.db2.gz DWHJOLLUXNKWSP-GOSISDBHSA-N 1 0 416.522 3.615 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccc(Cl)cc1 ZINC000506214567 1001282758 /nfs/dbraw/zinc/28/27/58/1001282758.db2.gz KADJBUARBVAEDX-FQEVSTJZSA-N 1 0 412.921 3.658 20 30 HHEDRO CCC[N@H+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccc(Cl)cc1 ZINC000506230727 1001294493 /nfs/dbraw/zinc/29/44/93/1001294493.db2.gz GJVVKMPMRVNWOG-HXUWFJFHSA-N 1 0 412.921 3.658 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497393561 1001332391 /nfs/dbraw/zinc/33/23/91/1001332391.db2.gz YEJQNMIAAOCRJJ-ROUUACIJSA-N 1 0 405.608 3.526 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)cc1OCCCC#N ZINC000506308932 1001344489 /nfs/dbraw/zinc/34/44/89/1001344489.db2.gz IMRYBLWGEXAWDH-UHFFFAOYSA-N 1 0 412.490 3.525 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@](N)(c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC000497491925 1001398150 /nfs/dbraw/zinc/39/81/50/1001398150.db2.gz FKDKBJPKROUQHV-QGZVFWFLSA-N 1 0 423.401 3.578 20 30 HHEDRO CC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594006 1001451077 /nfs/dbraw/zinc/45/10/77/1001451077.db2.gz NRYDSSJIISATCP-IBGZPJMESA-N 1 0 418.541 3.818 20 30 HHEDRO CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000506555833 1001458308 /nfs/dbraw/zinc/45/83/08/1001458308.db2.gz QWOZUSQMOOCREY-SFHVURJKSA-N 1 0 421.541 3.977 20 30 HHEDRO COc1cc(Br)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000497901583 1001557623 /nfs/dbraw/zinc/55/76/23/1001557623.db2.gz VDDONEFVKAZMGX-UHFFFAOYSA-N 1 0 416.319 3.533 20 30 HHEDRO C[NH+]1CCC(C)(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000506883644 1001579321 /nfs/dbraw/zinc/57/93/21/1001579321.db2.gz PTLDHABLQVUDNG-UHFFFAOYSA-N 1 0 405.502 3.664 20 30 HHEDRO CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000498028572 1001612345 /nfs/dbraw/zinc/61/23/45/1001612345.db2.gz CIDUQUVKRSAXPL-FPOVZHCZSA-N 1 0 420.557 3.892 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)C(C)C ZINC000498354845 1001791956 /nfs/dbraw/zinc/79/19/56/1001791956.db2.gz OJUAZKBCLNWNTH-IBGZPJMESA-N 1 0 419.932 3.797 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnn2c1nccc2-c1ccccc1)C(C)C ZINC000498357910 1001793389 /nfs/dbraw/zinc/79/33/89/1001793389.db2.gz BLPQTRWYLMFYTD-QFIPXVFZSA-N 1 0 403.530 3.825 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)C(C)C ZINC000498358705 1001793907 /nfs/dbraw/zinc/79/39/07/1001793907.db2.gz HDPIHYMPBYMPIV-IBGZPJMESA-N 1 0 415.969 3.966 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C)C(C)C ZINC000498367831 1001799604 /nfs/dbraw/zinc/79/96/04/1001799604.db2.gz QPGOYEXWORBIKX-QFIPXVFZSA-N 1 0 418.545 3.552 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000498380248 1001810213 /nfs/dbraw/zinc/81/02/13/1001810213.db2.gz DLQNVIQXWKDONK-UHFFFAOYSA-N 1 0 420.488 3.875 20 30 HHEDRO Cc1nc(-c2ccccn2)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498382398 1001812510 /nfs/dbraw/zinc/81/25/10/1001812510.db2.gz LPTZHZXFXUGECS-UHFFFAOYSA-N 1 0 405.527 3.589 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1N1CCCCC1 ZINC000498463598 1001892370 /nfs/dbraw/zinc/89/23/70/1001892370.db2.gz NDQDVLKUIYHMEF-UHFFFAOYSA-N 1 0 419.573 3.822 20 30 HHEDRO COc1ccccc1C[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000507219774 1001906833 /nfs/dbraw/zinc/90/68/33/1001906833.db2.gz QLHJWVMHOAZRLJ-UQBPGWFLSA-N 1 0 405.542 3.937 20 30 HHEDRO Cc1nc(SCC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C#N)c(C)c1C ZINC000498509323 1001932210 /nfs/dbraw/zinc/93/22/10/1001932210.db2.gz IUOMBULELSEVRP-FQEVSTJZSA-N 1 0 414.619 3.941 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000507330035 1002004988 /nfs/dbraw/zinc/00/49/88/1002004988.db2.gz ZIPFOGXSOXHAJS-QHCPKHFHSA-N 1 0 415.534 3.751 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341706 1002010447 /nfs/dbraw/zinc/01/04/47/1002010447.db2.gz QAGURQDGWMDXGX-UGKGYDQZSA-N 1 0 418.541 3.947 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000507382668 1002037716 /nfs/dbraw/zinc/03/77/16/1002037716.db2.gz WXMAXRFKIKXOAX-ZWKOTPCHSA-N 1 0 405.608 3.524 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000507423091 1002063742 /nfs/dbraw/zinc/06/37/42/1002063742.db2.gz QOJVNLRJWIEXHR-BWAGFHJFSA-N 1 0 418.497 3.963 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507539995 1002146767 /nfs/dbraw/zinc/14/67/67/1002146767.db2.gz XJOUHXGFGXRQHS-PGRDOPGGSA-N 1 0 420.532 3.865 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000507603521 1002210763 /nfs/dbraw/zinc/21/07/63/1002210763.db2.gz JAUJXNQRDFBDCK-ZARIYHHDSA-N 1 0 403.570 3.863 20 30 HHEDRO C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507644919 1002245658 /nfs/dbraw/zinc/24/56/58/1002245658.db2.gz OIZMWZLSFLVJPT-QDBMRNDTSA-N 1 0 403.574 3.586 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000507654247 1002253160 /nfs/dbraw/zinc/25/31/60/1002253160.db2.gz SAFFQLCLQVDLCB-FBHNJWQJSA-N 1 0 411.571 3.992 20 30 HHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(O)ccc3Br)CC2)nc1 ZINC000507767437 1002334354 /nfs/dbraw/zinc/33/43/54/1002334354.db2.gz QYVNQOFJIBDVNX-UHFFFAOYSA-N 1 0 402.292 3.901 20 30 HHEDRO COc1ccc([C@H](CO)N(C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000499020413 1002396148 /nfs/dbraw/zinc/39/61/48/1002396148.db2.gz JSVAJCVVCJFUAH-JXFKEZNVSA-N 1 0 413.543 3.551 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2c(n1)onc2C(C)C ZINC000499043068 1002422598 /nfs/dbraw/zinc/42/25/98/1002422598.db2.gz JDVXDJNOBRWTQI-UHFFFAOYSA-N 1 0 405.502 3.730 20 30 HHEDRO C=CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1OC ZINC000508050839 1002572254 /nfs/dbraw/zinc/57/22/54/1002572254.db2.gz CHXWQSHUNARJBK-UHFFFAOYSA-N 1 0 410.514 3.717 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000499331132 1002735508 /nfs/dbraw/zinc/73/55/08/1002735508.db2.gz PVAFYPOCKHMRGQ-UHFFFAOYSA-N 1 0 413.591 3.628 20 30 HHEDRO N#CC1(CCC[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)CCOCC1 ZINC000499540183 1002924393 /nfs/dbraw/zinc/92/43/93/1002924393.db2.gz WIVMYPWHGCHXBZ-UHFFFAOYSA-N 1 0 409.574 3.990 20 30 HHEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508497587 1002980549 /nfs/dbraw/zinc/98/05/49/1002980549.db2.gz MFDXASGLFRUWMH-HDICACEKSA-N 1 0 415.607 3.827 20 30 HHEDRO Cc1onc(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC000499753117 1003095888 /nfs/dbraw/zinc/09/58/88/1003095888.db2.gz ZDARITVCGIRULG-UHFFFAOYSA-N 1 0 421.328 3.829 20 30 HHEDRO C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000508724380 1003164596 /nfs/dbraw/zinc/16/45/96/1003164596.db2.gz RCAFAKRWBCIYNV-UHFFFAOYSA-N 1 0 420.561 3.617 20 30 HHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508850042 1003271171 /nfs/dbraw/zinc/27/11/71/1003271171.db2.gz TVJMMPMWOBRDMO-TZIWHRDSSA-N 1 0 407.562 3.517 20 30 HHEDRO C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000508856036 1003276279 /nfs/dbraw/zinc/27/62/79/1003276279.db2.gz JNWUOHSPSJNKEG-QNGMFEMESA-N 1 0 419.614 3.525 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508858985 1003279018 /nfs/dbraw/zinc/27/90/18/1003279018.db2.gz UWQYKSCSGHCXIZ-UHFFFAOYSA-N 1 0 416.573 3.798 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000499998206 1003315526 /nfs/dbraw/zinc/31/55/26/1003315526.db2.gz GXDMTNZQMOTGIL-OXJNMPFZSA-N 1 0 424.932 3.834 20 30 HHEDRO C=CCn1c(N2CCC([NH+]3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000508906922 1003345789 /nfs/dbraw/zinc/34/57/89/1003345789.db2.gz JHEZTKCWVBTEBI-UHFFFAOYSA-N 1 0 403.477 3.657 20 30 HHEDRO C=CCn1c(-c2cc(Cl)ccc2Cl)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000508907753 1003346989 /nfs/dbraw/zinc/34/69/89/1003346989.db2.gz OUIPLFBTMCJGSO-UHFFFAOYSA-N 1 0 422.360 3.739 20 30 HHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508912059 1003352059 /nfs/dbraw/zinc/35/20/59/1003352059.db2.gz JYHOYWWHWXJDRC-UHFFFAOYSA-N 1 0 423.586 3.778 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508930136 1003375046 /nfs/dbraw/zinc/37/50/46/1003375046.db2.gz DIDABFJXSFKGBB-UHFFFAOYSA-N 1 0 401.942 3.761 20 30 HHEDRO C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508955783 1003414158 /nfs/dbraw/zinc/41/41/58/1003414158.db2.gz JUDVWWVJYQXYFL-UHFFFAOYSA-N 1 0 411.550 3.601 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000508996702 1003467738 /nfs/dbraw/zinc/46/77/38/1003467738.db2.gz HJLSKGWQZJKXBL-UHFFFAOYSA-N 1 0 408.575 3.781 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1OC ZINC000500250657 1003581985 /nfs/dbraw/zinc/58/19/85/1003581985.db2.gz PEGRTOUTFUELLB-KRWDZBQOSA-N 1 0 424.310 3.855 20 30 HHEDRO Cc1cc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n2c3ccccc3nc2c1C#N ZINC000500517281 1003757529 /nfs/dbraw/zinc/75/75/29/1003757529.db2.gz SGYVTKUEKMAVRD-WOJBJXKFSA-N 1 0 416.573 3.662 20 30 HHEDRO Cc1cc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n2c3ccccc3nc2c1C#N ZINC000500517278 1003757606 /nfs/dbraw/zinc/75/76/06/1003757606.db2.gz SGYVTKUEKMAVRD-PMACEKPBSA-N 1 0 416.573 3.662 20 30 HHEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000511908919 1003884835 /nfs/dbraw/zinc/88/48/35/1003884835.db2.gz GBBBOPBTWCHXKM-NRFANRHFSA-N 1 0 405.502 3.806 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000509555641 1003942508 /nfs/dbraw/zinc/94/25/08/1003942508.db2.gz JHOGBVXUTHERDK-HXUWFJFHSA-N 1 0 400.542 3.685 20 30 HHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000509567326 1003949138 /nfs/dbraw/zinc/94/91/38/1003949138.db2.gz IZFZZZNQXPLMGS-UTKZUKDTSA-N 1 0 410.518 3.833 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000509567324 1003949354 /nfs/dbraw/zinc/94/93/54/1003949354.db2.gz IZFZZZNQXPLMGS-DYESRHJHSA-N 1 0 410.518 3.833 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512171389 1004075199 /nfs/dbraw/zinc/07/51/99/1004075199.db2.gz XICQVLZUMPIVLW-FXAWDEMLSA-N 1 0 423.561 3.505 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000512224372 1004125399 /nfs/dbraw/zinc/12/53/99/1004125399.db2.gz BEYKVMHLTALUJT-IXDOHACOSA-N 1 0 400.592 3.774 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)c1 ZINC000509828160 1004128439 /nfs/dbraw/zinc/12/84/39/1004128439.db2.gz PFKKADWDQYZHCQ-UHFFFAOYSA-N 1 0 409.530 3.959 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc(F)cc3Cl)CC2)cc1 ZINC000501080466 1004185423 /nfs/dbraw/zinc/18/54/23/1004185423.db2.gz VQFPQHSHXPBILS-UHFFFAOYSA-N 1 0 414.912 3.811 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)C2=O)cc1 ZINC000512292354 1004195873 /nfs/dbraw/zinc/19/58/73/1004195873.db2.gz GWJLLPKMPUFPGC-AOYPEHQESA-N 1 0 414.553 3.652 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000501139158 1004229488 /nfs/dbraw/zinc/22/94/88/1004229488.db2.gz GYICKBHCFORIFX-QFIPXVFZSA-N 1 0 418.541 3.593 20 30 HHEDRO C=C(CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1)c1ccccc1 ZINC000510014099 1004265957 /nfs/dbraw/zinc/26/59/57/1004265957.db2.gz WKHYBCTVHRNBTC-UHFFFAOYSA-N 1 0 418.541 3.751 20 30 HHEDRO C[NH+]1CCN(c2cccc(Cl)c2CNc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000512392778 1004266460 /nfs/dbraw/zinc/26/64/60/1004266460.db2.gz XYJWIDBDKBSNGU-UHFFFAOYSA-N 1 0 424.911 3.900 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000510037667 1004281685 /nfs/dbraw/zinc/28/16/85/1004281685.db2.gz GXMKJEUXRUUFRK-JOCHJYFZSA-N 1 0 414.513 3.860 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000512478724 1004331308 /nfs/dbraw/zinc/33/13/08/1004331308.db2.gz DLFKERROQCRZRQ-UHFFFAOYSA-N 1 0 400.482 3.590 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(-c2ccncc2)n1 ZINC000512497367 1004344564 /nfs/dbraw/zinc/34/45/64/1004344564.db2.gz UAMXQTRHTRPMJE-UHFFFAOYSA-N 1 0 404.493 3.888 20 30 HHEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(OC)c1C(C)C ZINC000510190745 1004385747 /nfs/dbraw/zinc/38/57/47/1004385747.db2.gz OLTFNTDDIFQCEQ-UHFFFAOYSA-N 1 0 409.530 3.903 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000512752254 1004537050 /nfs/dbraw/zinc/53/70/50/1004537050.db2.gz MHEIAECVWWYRDA-UHFFFAOYSA-N 1 0 420.557 3.757 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COCc3ccccc3Cl)CC2)c(F)c1 ZINC000512811208 1004573177 /nfs/dbraw/zinc/57/31/77/1004573177.db2.gz CHYACUQCGOGIRJ-SFHVURJKSA-N 1 0 418.896 3.772 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)c(F)c1 ZINC000512812619 1004574826 /nfs/dbraw/zinc/57/48/26/1004574826.db2.gz WTHDLKYRVAQYEZ-UHFFFAOYSA-N 1 0 411.868 3.975 20 30 HHEDRO CCOC1CC2(C1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CC[C@@H](C)C3)C2 ZINC000512826241 1004584925 /nfs/dbraw/zinc/58/49/25/1004584925.db2.gz CFYPQJAOPXEPKN-HOKUHMFPSA-N 1 0 401.576 3.964 20 30 HHEDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512844142 1004605465 /nfs/dbraw/zinc/60/54/65/1004605465.db2.gz LKKDFOYTRGPGNA-KRWDZBQOSA-N 1 0 418.896 3.942 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000501689412 1004606970 /nfs/dbraw/zinc/60/69/70/1004606970.db2.gz OYSRQBNTSQDXMC-HUVFLSCGSA-N 1 0 419.569 3.837 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000501734351 1004660821 /nfs/dbraw/zinc/66/08/21/1004660821.db2.gz OEXRPKYEJXJGAP-UHFFFAOYSA-N 1 0 408.571 3.539 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)C2)n1 ZINC000510542745 1004675295 /nfs/dbraw/zinc/67/52/95/1004675295.db2.gz BULGQQNGUGUOHQ-UNWVZKJWSA-N 1 0 419.573 3.594 20 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C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502178208 1004940926 /nfs/dbraw/zinc/94/09/26/1004940926.db2.gz YULRHHPAWFEJAO-MRXNPFEDSA-N 1 0 424.932 3.567 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)c2)c1 ZINC000513439676 1004967202 /nfs/dbraw/zinc/96/72/02/1004967202.db2.gz QFFDCCICMSEDQD-XMMPIXPASA-N 1 0 405.542 3.681 20 30 HHEDRO C=C1CC[NH+](Cc2ccc(OCCn3c(C)ncc3[N+](=O)[O-])c(OCC)c2)CC1 ZINC000513466815 1004979327 /nfs/dbraw/zinc/97/93/27/1004979327.db2.gz LCOZUUIKWQQYJX-UHFFFAOYSA-N 1 0 400.479 3.729 20 30 HHEDRO CC(C)[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000513489222 1004987847 /nfs/dbraw/zinc/98/78/47/1004987847.db2.gz HGMOLAKIHKONNP-LJQANCHMSA-N 1 0 403.320 3.971 20 30 HHEDRO C=CCn1c(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccccc1F ZINC000513508415 1004995984 /nfs/dbraw/zinc/99/59/84/1004995984.db2.gz MITOBUJNNFXRDC-LJQANCHMSA-N 1 0 424.545 3.782 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000502313501 1005006312 /nfs/dbraw/zinc/00/63/12/1005006312.db2.gz BGRMFKYTBKTKLB-UHFFFAOYSA-N 1 0 409.408 3.807 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(N3CCc4ccccc43)CC2)c(-c2ccncc2)n1 ZINC000502324074 1005012657 /nfs/dbraw/zinc/01/26/57/1005012657.db2.gz AEIRZFWQKZJBNW-UHFFFAOYSA-N 1 0 412.541 3.886 20 30 HHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502339916 1005020789 /nfs/dbraw/zinc/02/07/89/1005020789.db2.gz PIOHMFIXWUJJQH-HXUWFJFHSA-N 1 0 415.497 3.792 20 30 HHEDRO CC1(c2nc3ccccc3s2)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000511110036 1005023326 /nfs/dbraw/zinc/02/33/26/1005023326.db2.gz SXMJVVNXEFWAOB-SFHVURJKSA-N 1 0 407.539 3.961 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000502369127 1005040163 /nfs/dbraw/zinc/04/01/63/1005040163.db2.gz SXXAEKCOLXYTHU-UHFFFAOYSA-N 1 0 405.546 3.822 20 30 HHEDRO Cc1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000513705152 1005089665 /nfs/dbraw/zinc/08/96/65/1005089665.db2.gz OBSXWNMBOFTTOG-DYESRHJHSA-N 1 0 406.534 3.795 20 30 HHEDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000511475454 1005192647 /nfs/dbraw/zinc/19/26/47/1005192647.db2.gz DWLANWJCLDEOES-KNQAVFIVSA-N 1 0 421.541 3.500 20 30 HHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000511501787 1005202871 /nfs/dbraw/zinc/20/28/71/1005202871.db2.gz AGMNGCSEBNCDHY-QGZVFWFLSA-N 1 0 405.502 3.806 20 30 HHEDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000511510270 1005206041 /nfs/dbraw/zinc/20/60/41/1005206041.db2.gz XUDCPEBFUHAUKA-AUSIDOKSSA-N 1 0 421.541 3.500 20 30 HHEDRO C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000511685885 1005276075 /nfs/dbraw/zinc/27/60/75/1005276075.db2.gz IXOJMHRXSZAEIA-FUHWJXTLSA-N 1 0 424.932 3.567 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000514163027 1005294558 /nfs/dbraw/zinc/29/45/58/1005294558.db2.gz SHSRPPCMCITOKZ-NRFANRHFSA-N 1 0 409.530 3.506 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(OC)c1 ZINC000511757994 1005310014 /nfs/dbraw/zinc/31/00/14/1005310014.db2.gz QGBLNWXBHAAVIJ-MOUTVQLLSA-N 1 0 423.553 3.668 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000503009693 1005314016 /nfs/dbraw/zinc/31/40/16/1005314016.db2.gz PJUGDCNFEPCVDL-FQEVSTJZSA-N 1 0 423.557 3.951 20 30 HHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511773704 1005319398 /nfs/dbraw/zinc/31/93/98/1005319398.db2.gz CUTACUQPPFCOMX-SVFBPWRDSA-N 1 0 407.539 3.745 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)C2=O)cc1 ZINC000511776442 1005320921 /nfs/dbraw/zinc/32/09/21/1005320921.db2.gz KIJZNSLTZCOMDJ-SBFWRKJZSA-N 1 0 401.510 3.558 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000511790297 1005329567 /nfs/dbraw/zinc/32/95/67/1005329567.db2.gz ZUUORWPZPBTMDB-GOSISDBHSA-N 1 0 414.569 3.931 20 30 HHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000503068317 1005335917 /nfs/dbraw/zinc/33/59/17/1005335917.db2.gz JRZQLEKKLAZZTP-JLVXQPSGSA-N 1 0 411.546 3.560 20 30 HHEDRO COc1ccc(-c2nc(C)c(C(=O)N(CCC#N)CCC[NH+](C)C)s2)c(F)c1 ZINC000503156461 1005358765 /nfs/dbraw/zinc/35/87/65/1005358765.db2.gz BHBXQDUDGXYFAX-UHFFFAOYSA-N 1 0 404.511 3.574 20 30 HHEDRO CCCc1noc2nc(CC)cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c12 ZINC000503308918 1005387811 /nfs/dbraw/zinc/38/78/11/1005387811.db2.gz HERFSNWSOULLJM-UHFFFAOYSA-N 1 0 419.529 3.813 20 30 HHEDRO C[C@H]1C[C@@]1([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503381253 1005403402 /nfs/dbraw/zinc/40/34/02/1005403402.db2.gz XWMUKRMYRKNPCC-NYHFZMIOSA-N 1 0 405.889 3.861 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)C(C)C ZINC000503440783 1005421225 /nfs/dbraw/zinc/42/12/25/1005421225.db2.gz VHWFNVCLASTOBO-FQEVSTJZSA-N 1 0 408.550 3.711 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503465656 1005428872 /nfs/dbraw/zinc/42/88/72/1005428872.db2.gz XLDRWPSKBGUZEQ-LJQANCHMSA-N 1 0 417.962 3.744 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3ccc(CC#N)cc3)CC2)c1C ZINC000503515914 1005441472 /nfs/dbraw/zinc/44/14/72/1005441472.db2.gz JBMBHVRTABJZPA-UHFFFAOYSA-N 1 0 421.545 3.901 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCSc1ccc(F)cc1 ZINC000503615037 1005465660 /nfs/dbraw/zinc/46/56/60/1005465660.db2.gz LVXPDWKKAYLISU-UHFFFAOYSA-N 1 0 414.550 3.953 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000503661840 1005475797 /nfs/dbraw/zinc/47/57/97/1005475797.db2.gz DALLGQLRCQBLEY-UHFFFAOYSA-N 1 0 413.562 3.695 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000503682584 1005480057 /nfs/dbraw/zinc/48/00/57/1005480057.db2.gz AXKBYTMLCUWOKI-UHFFFAOYSA-N 1 0 414.893 3.579 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503699471 1005482796 /nfs/dbraw/zinc/48/27/96/1005482796.db2.gz DTXYVHUKJWNLBE-FQEVSTJZSA-N 1 0 419.573 3.515 20 30 HHEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503901240 1005507754 /nfs/dbraw/zinc/50/77/54/1005507754.db2.gz JWEYRVRUSCCCKT-QFIPXVFZSA-N 1 0 419.916 3.991 20 30 HHEDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)sc1Br ZINC000503926274 1005513595 /nfs/dbraw/zinc/51/35/95/1005513595.db2.gz JANZSRQQAMSYEJ-MRXNPFEDSA-N 1 0 404.333 3.976 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000504003959 1005530312 /nfs/dbraw/zinc/53/03/12/1005530312.db2.gz HJENGAZVNNCINT-UHFFFAOYSA-N 1 0 411.571 3.834 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCCOc3ccc(F)cc3)CC2)cc1 ZINC000504042401 1005539213 /nfs/dbraw/zinc/53/92/13/1005539213.db2.gz ZSTCGHYPJGPHNH-UHFFFAOYSA-N 1 0 424.520 3.774 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000531081466 1005984113 /nfs/dbraw/zinc/98/41/13/1005984113.db2.gz OFBDEKGSYACEAF-WIYYLYMNSA-N 1 0 406.530 3.687 20 30 HHEDRO CC(C)Cn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C(F)F ZINC000534088118 1006060925 /nfs/dbraw/zinc/06/09/25/1006060925.db2.gz BFOWTAUTMOGQLQ-UHFFFAOYSA-N 1 0 418.492 3.944 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000514874293 1006175808 /nfs/dbraw/zinc/17/58/08/1006175808.db2.gz LYDPNDXSWAYFPG-MRXNPFEDSA-N 1 0 417.554 3.751 20 30 HHEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OCC(F)(F)F ZINC000515115115 1006298947 /nfs/dbraw/zinc/29/89/47/1006298947.db2.gz YWMRHTKAPHOREK-GOSISDBHSA-N 1 0 418.419 3.895 20 30 HHEDRO N#Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OCC(F)(F)F ZINC000515115116 1006299066 /nfs/dbraw/zinc/29/90/66/1006299066.db2.gz YWMRHTKAPHOREK-SFHVURJKSA-N 1 0 418.419 3.895 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1C#N ZINC000515168906 1006323164 /nfs/dbraw/zinc/32/31/64/1006323164.db2.gz JETIJGWIJOXFTN-AVRDEDQJSA-N 1 0 423.536 3.602 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000531814254 1006446737 /nfs/dbraw/zinc/44/67/37/1006446737.db2.gz OAICCKZJRNQXOO-UHFFFAOYSA-N 1 0 403.530 3.652 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538375675 1006646491 /nfs/dbraw/zinc/64/64/91/1006646491.db2.gz MWPBPNGFWGJBAO-HRAATJIYSA-N 1 0 403.548 3.539 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000534681367 1006659104 /nfs/dbraw/zinc/65/91/04/1006659104.db2.gz VUCOSGMTOILKNV-XZOQPEGZSA-N 1 0 404.514 3.556 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538391493 1006661662 /nfs/dbraw/zinc/66/16/62/1006661662.db2.gz GGIHVWXUBJFYEM-BJKOFHAPSA-N 1 0 420.532 3.832 20 30 HHEDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)Nc3ccccc3SCC#N)C2)CC1 ZINC000532511955 1006950350 /nfs/dbraw/zinc/95/03/50/1006950350.db2.gz POHVYZSITGBZFK-IBGZPJMESA-N 1 0 400.592 3.685 20 30 HHEDRO 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CCC[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000539427270 1007733616 /nfs/dbraw/zinc/73/36/16/1007733616.db2.gz QTSLMNLWACGIEL-OAQYLSRUSA-N 1 0 420.557 3.721 20 30 HHEDRO CCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533431664 1007744813 /nfs/dbraw/zinc/74/48/13/1007744813.db2.gz UEYITUOEFFTRCO-TYPHKJRUSA-N 1 0 422.491 3.699 20 30 HHEDRO CCc1ccc(C(C)(C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000539491338 1007802524 /nfs/dbraw/zinc/80/25/24/1007802524.db2.gz NXGHWCOUBIPSOI-HXUWFJFHSA-N 1 0 410.587 3.544 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533504317 1007816750 /nfs/dbraw/zinc/81/67/50/1007816750.db2.gz ZLBKEOGQSGTEFE-SJLPKXTDSA-N 1 0 400.498 3.868 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533512036 1007829874 /nfs/dbraw/zinc/82/98/74/1007829874.db2.gz SNWDOSHWVVEQOE-WOZUAGRISA-N 1 0 412.578 3.668 20 30 HHEDRO 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ZINC000536035247 1008069130 /nfs/dbraw/zinc/06/91/30/1008069130.db2.gz LGZSTQQGXWKWTA-HKUYNNGSSA-N 1 0 413.484 3.980 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000536034927 1008069188 /nfs/dbraw/zinc/06/91/88/1008069188.db2.gz HAEFVOVDKSQEKW-WIYYLYMNSA-N 1 0 407.514 3.544 20 30 HHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000536068015 1008096170 /nfs/dbraw/zinc/09/61/70/1008096170.db2.gz MVUBFHPDMOIEDF-KRWDZBQOSA-N 1 0 405.527 3.755 20 30 HHEDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)C2)CC1 ZINC000539797931 1008102155 /nfs/dbraw/zinc/10/21/55/1008102155.db2.gz FIYVHZJOIGZDMK-OAQYLSRUSA-N 1 0 418.541 3.591 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000539924494 1008187036 /nfs/dbraw/zinc/18/70/36/1008187036.db2.gz FWBXCLSTPMFYAV-NVXWUHKLSA-N 1 0 423.351 3.513 20 30 HHEDRO C=CCOc1ccc(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cc1OC ZINC000518203577 1008204549 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/nfs/dbraw/zinc/32/82/17/1008328217.db2.gz LUIWGYVZULWZNJ-ROUUACIJSA-N 1 0 414.550 3.847 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)CC1 ZINC000518515960 1008334401 /nfs/dbraw/zinc/33/44/01/1008334401.db2.gz KGVPAUIQJOJJQH-UHFFFAOYSA-N 1 0 422.529 3.586 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000518532483 1008340649 /nfs/dbraw/zinc/34/06/49/1008340649.db2.gz VOESTLCTCVBUBB-UHFFFAOYSA-N 1 0 417.941 3.561 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000540354732 1008396262 /nfs/dbraw/zinc/39/62/62/1008396262.db2.gz TUUGZDODWPWQEZ-GOSISDBHSA-N 1 0 421.522 3.657 20 30 HHEDRO COc1ccc(C2([NH2+]CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)cc1 ZINC000540358797 1008398311 /nfs/dbraw/zinc/39/83/11/1008398311.db2.gz LUWAERYCBSFHTD-UHFFFAOYSA-N 1 0 418.497 3.844 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000540365594 1008401517 /nfs/dbraw/zinc/40/15/17/1008401517.db2.gz 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HHEDRO C=CC[N@H+](Cc1cn(C)nc1-c1cccs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481913 1008449040 /nfs/dbraw/zinc/44/90/40/1008449040.db2.gz QQAVPYBNRMQWPY-MRXNPFEDSA-N 1 0 405.531 3.874 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CCCOC(C)C)c1C#N ZINC000519038141 1008508240 /nfs/dbraw/zinc/50/82/40/1008508240.db2.gz XKPYPNDTLZVOPH-UHFFFAOYSA-N 1 0 400.498 3.790 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000542962994 1008535325 /nfs/dbraw/zinc/53/53/25/1008535325.db2.gz WRMCIYBFLXHEHW-GJZGRUSLSA-N 1 0 400.914 3.639 20 30 HHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000542965069 1008537981 /nfs/dbraw/zinc/53/79/81/1008537981.db2.gz QENIWIDQHOVXBH-UHFFFAOYSA-N 1 0 400.914 3.639 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000548954383 1008539453 /nfs/dbraw/zinc/53/94/53/1008539453.db2.gz UAPUSWOBSTWNJF-KRWDZBQOSA-N 1 0 402.340 3.568 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000542980322 1008556800 /nfs/dbraw/zinc/55/68/00/1008556800.db2.gz HGJOYQMZDSTUAS-LMGGTIKBSA-N 1 0 401.507 3.549 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549036343 1008604562 /nfs/dbraw/zinc/60/45/62/1008604562.db2.gz RBIQVPRFXDJDNL-PWRODBHTSA-N 1 0 414.912 3.691 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)CC1 ZINC000519270316 1008679139 /nfs/dbraw/zinc/67/91/39/1008679139.db2.gz HDYKADRKYXXFIM-MZYLBHOOSA-N 1 0 409.574 3.617 20 30 HHEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549213641 1008784132 /nfs/dbraw/zinc/78/41/32/1008784132.db2.gz LVLOGFTUQHGPDL-RTWAWAEBSA-N 1 0 419.614 3.671 20 30 HHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549249803 1008820749 /nfs/dbraw/zinc/82/07/49/1008820749.db2.gz JJHQADCGPQYVOX-OAQYLSRUSA-N 1 0 404.562 3.922 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549266320 1008835624 /nfs/dbraw/zinc/83/56/24/1008835624.db2.gz PBTRZGBPLZCTLO-IBGZPJMESA-N 1 0 411.550 3.506 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000549292439 1008865153 /nfs/dbraw/zinc/86/51/53/1008865153.db2.gz RPMBOIZXYXSTFS-VXKWHMMOSA-N 1 0 409.578 3.849 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)c1C#N ZINC000519580510 1008920620 /nfs/dbraw/zinc/92/06/20/1008920620.db2.gz UYJVONVEZPYDCF-UHFFFAOYSA-N 1 0 406.317 3.801 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000543352461 1008939138 /nfs/dbraw/zinc/93/91/38/1008939138.db2.gz SSZAWJHOEHYXDH-GOSISDBHSA-N 1 0 414.531 3.604 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC[C@H](C)[NH+]2CCCCC2)nnc1-c1ccco1 ZINC000543383173 1008972001 /nfs/dbraw/zinc/97/20/01/1008972001.db2.gz HWZHTQPVUIBTFJ-KRWDZBQOSA-N 1 0 417.579 3.587 20 30 HHEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000549411232 1008999347 /nfs/dbraw/zinc/99/93/47/1008999347.db2.gz QSUFGZLILGQUBO-XGSMCBPESA-N 1 0 411.937 3.731 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000543447878 1009033842 /nfs/dbraw/zinc/03/38/42/1009033842.db2.gz DEJWDEMJMHNBLV-UTKZUKDTSA-N 1 0 407.493 3.514 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458900 1009042413 /nfs/dbraw/zinc/04/24/13/1009042413.db2.gz JKQSSUPFKLFMCV-HSALFYBXSA-N 1 0 412.578 3.573 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000519896972 1009062236 /nfs/dbraw/zinc/06/22/36/1009062236.db2.gz NFNKKFXOVIERDH-UHFFFAOYSA-N 1 0 408.546 3.866 20 30 HHEDRO CC(C)C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccs1 ZINC000543487193 1009075917 /nfs/dbraw/zinc/07/59/17/1009075917.db2.gz YDOMZBVBSNWMGO-ZWKOTPCHSA-N 1 0 416.616 3.895 20 30 HHEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)CCN2C2CC2)c1 ZINC000549478076 1009076054 /nfs/dbraw/zinc/07/60/54/1009076054.db2.gz PAHVRRXMPSRVIJ-FYYLOGMGSA-N 1 0 415.497 3.684 20 30 HHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 ZINC000543500856 1009089914 /nfs/dbraw/zinc/08/99/14/1009089914.db2.gz SBVFXEVQAZTNGH-SZNDQCEHSA-N 1 0 400.548 3.832 20 30 HHEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000546225149 1009251203 /nfs/dbraw/zinc/25/12/03/1009251203.db2.gz GHPWQQVDTOFPIZ-DENIHFKCSA-N 1 0 408.521 3.502 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000520106695 1009263542 /nfs/dbraw/zinc/26/35/42/1009263542.db2.gz YFFMGDAHQOOYQT-MRXNPFEDSA-N 1 0 419.447 3.935 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549665497 1009294721 /nfs/dbraw/zinc/29/47/21/1009294721.db2.gz NOUGUICVEFANRI-PMACEKPBSA-N 1 0 424.593 3.550 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000520173958 1009320611 /nfs/dbraw/zinc/32/06/11/1009320611.db2.gz KVUJOZRKHFWBOF-UHFFFAOYSA-N 1 0 401.457 3.934 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000549691199 1009321046 /nfs/dbraw/zinc/32/10/46/1009321046.db2.gz YRXOPIYQTWOFPX-IRLDBZIGSA-N 1 0 409.578 3.555 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549782220 1009392592 /nfs/dbraw/zinc/39/25/92/1009392592.db2.gz CDGOGGIKFIVGHQ-UHFFFAOYSA-N 1 0 424.593 3.800 20 30 HHEDRO Cc1cccc(COc2ccc(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)cc2)c1 ZINC000549800773 1009406591 /nfs/dbraw/zinc/40/65/91/1009406591.db2.gz YMHPTQIOQHWTCJ-QHCPKHFHSA-N 1 0 402.494 3.975 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c(F)c1 ZINC000543856820 1009422689 /nfs/dbraw/zinc/42/26/89/1009422689.db2.gz YQJJDIJHKWZICS-IBGZPJMESA-N 1 0 403.461 3.734 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c(F)c1 ZINC000543856830 1009422886 /nfs/dbraw/zinc/42/28/86/1009422886.db2.gz YQJJDIJHKWZICS-LJQANCHMSA-N 1 0 403.461 3.734 20 30 HHEDRO C[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000520326947 1009458075 /nfs/dbraw/zinc/45/80/75/1009458075.db2.gz WYNXZXBKYYGJFR-GOSISDBHSA-N 1 0 400.482 3.996 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543884348 1009459904 /nfs/dbraw/zinc/45/99/04/1009459904.db2.gz MLGIFOBOWYJUGG-LSDHHAIUSA-N 1 0 400.914 3.639 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H]1C ZINC000543889332 1009467471 /nfs/dbraw/zinc/46/74/71/1009467471.db2.gz UJNLOHCLHYOVMN-WMLDXEAASA-N 1 0 400.914 3.734 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000543977335 1009578795 /nfs/dbraw/zinc/57/87/95/1009578795.db2.gz SNEAWSAIKBIUQE-INIZCTEOSA-N 1 0 403.486 3.659 20 30 HHEDRO CC(C)[C@]1(CO)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550064172 1009666085 /nfs/dbraw/zinc/66/60/85/1009666085.db2.gz YFTCJLUDFIMYFM-JOCHJYFZSA-N 1 0 403.592 3.948 20 30 HHEDRO COc1cc(C#N)ccc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000546707540 1009691907 /nfs/dbraw/zinc/69/19/07/1009691907.db2.gz INQDSHFOVWOEJU-UHFFFAOYSA-N 1 0 422.529 3.760 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(OCc2ccccc2)c1 ZINC000520650006 1009723073 /nfs/dbraw/zinc/72/30/73/1009723073.db2.gz GDFPFFFIJDWLGM-GOSISDBHSA-N 1 0 421.522 3.657 20 30 HHEDRO COc1cc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1C#N ZINC000520673792 1009744645 /nfs/dbraw/zinc/74/46/45/1009744645.db2.gz PVVRHFQTHXVISJ-IBGZPJMESA-N 1 0 417.431 3.866 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544142917 1009751706 /nfs/dbraw/zinc/75/17/06/1009751706.db2.gz DLYVQMDLJNWLKT-SFHVURJKSA-N 1 0 419.447 3.529 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000544176169 1009780689 /nfs/dbraw/zinc/78/06/89/1009780689.db2.gz RYIGUPCUXCKGSP-ISKFKSNPSA-N 1 0 406.530 3.511 20 30 HHEDRO CS[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1[NH+](C)C ZINC000546843695 1009802327 /nfs/dbraw/zinc/80/23/27/1009802327.db2.gz BCGITNWHQXTESE-FGZHOGPDSA-N 1 0 424.570 3.955 20 30 HHEDRO N#Cc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000520765009 1009833932 /nfs/dbraw/zinc/83/39/32/1009833932.db2.gz RKABLPKCCMWERL-UHFFFAOYSA-N 1 0 403.313 3.998 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000550387857 1009898500 /nfs/dbraw/zinc/89/85/00/1009898500.db2.gz UWDDMKDINBIVHB-UHFFFAOYSA-N 1 0 419.529 3.691 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000544299314 1009918711 /nfs/dbraw/zinc/91/87/11/1009918711.db2.gz AXRRMJNNXDRCOR-FQEVSTJZSA-N 1 0 414.550 3.703 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000544299315 1009918813 /nfs/dbraw/zinc/91/88/13/1009918813.db2.gz AXRRMJNNXDRCOR-HXUWFJFHSA-N 1 0 414.550 3.703 20 30 HHEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C ZINC000520932034 1009986003 /nfs/dbraw/zinc/98/60/03/1009986003.db2.gz XVNLOQYBJFUNRN-UHFFFAOYSA-N 1 0 408.502 3.524 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000520940031 1009995157 /nfs/dbraw/zinc/99/51/57/1009995157.db2.gz CFSRNVJZWQQEDO-KRWDZBQOSA-N 1 0 402.564 3.847 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3(N4CCCC4)CCOCC3)c2)c1 ZINC000520956960 1010005715 /nfs/dbraw/zinc/00/57/15/1010005715.db2.gz TWABNIJDJLXFNN-UHFFFAOYSA-N 1 0 405.542 3.872 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@H]1CCCO1 ZINC000544460541 1010084024 /nfs/dbraw/zinc/08/40/24/1010084024.db2.gz OMSWBZNHQKVLAC-IFMALSPDSA-N 1 0 406.530 3.713 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521116291 1010137528 /nfs/dbraw/zinc/13/75/28/1010137528.db2.gz XDUDTZJZPPWVDI-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000550802563 1010189499 /nfs/dbraw/zinc/18/94/99/1010189499.db2.gz IHVFFNSWNRAWFX-IBGZPJMESA-N 1 0 416.447 3.647 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000521170329 1010202329 /nfs/dbraw/zinc/20/23/29/1010202329.db2.gz LVLQSAKDSMWGLR-UHFFFAOYSA-N 1 0 403.470 3.512 20 30 HHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000550900017 1010247322 /nfs/dbraw/zinc/24/73/22/1010247322.db2.gz HWLBPZZEXRDTEH-UHFFFAOYSA-N 1 0 418.588 3.508 20 30 HHEDRO C[C@](O)(C1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000547344619 1010262405 /nfs/dbraw/zinc/26/24/05/1010262405.db2.gz FDUBBGBOMNTTIL-SFHVURJKSA-N 1 0 417.859 3.612 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000551166525 1010411374 /nfs/dbraw/zinc/41/13/74/1010411374.db2.gz OJLLZQPEVPRYID-INIZCTEOSA-N 1 0 411.999 3.544 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC1 ZINC000521573516 1010473342 /nfs/dbraw/zinc/47/33/42/1010473342.db2.gz ACUAJSMGCDWMAS-UHFFFAOYSA-N 1 0 407.543 3.766 20 30 HHEDRO COc1cc(-c2noc(CSc3ccc(C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000544952858 1010516221 /nfs/dbraw/zinc/51/62/21/1010516221.db2.gz FVUIRWWELUTKST-UHFFFAOYSA-N 1 0 410.499 3.850 20 30 HHEDRO N#Cc1cccc(OC2CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000551385176 1010552543 /nfs/dbraw/zinc/55/25/43/1010552543.db2.gz GXFKIJYTIQOMQX-VWLOTQADSA-N 1 0 405.542 3.693 20 30 HHEDRO CCOC(=O)c1ccc(C#N)c(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000551413091 1010570279 /nfs/dbraw/zinc/57/02/79/1010570279.db2.gz DMTBKSRNIVZWLW-IBGZPJMESA-N 1 0 411.527 3.513 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521807419 1010633109 /nfs/dbraw/zinc/63/31/09/1010633109.db2.gz KVXXAMJDBJSADE-KZNAEPCWSA-N 1 0 416.591 3.504 20 30 HHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 ZINC000551542261 1010649034 /nfs/dbraw/zinc/64/90/34/1010649034.db2.gz DYUHHIODXXPLSQ-JOCHJYFZSA-N 1 0 419.481 3.772 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000548831706 1010740272 /nfs/dbraw/zinc/74/02/72/1010740272.db2.gz HDDVJULYQUFPKX-LJQANCHMSA-N 1 0 405.546 3.778 20 30 HHEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000548865355 1010747679 /nfs/dbraw/zinc/74/76/79/1010747679.db2.gz DPCDTBQGBYBHPG-UHFFFAOYSA-N 1 0 413.319 3.730 20 30 HHEDRO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865996 1010747898 /nfs/dbraw/zinc/74/78/98/1010747898.db2.gz YCIPDDIMPYEYFE-OAQYLSRUSA-N 1 0 407.558 3.985 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000548883951 1010752364 /nfs/dbraw/zinc/75/23/64/1010752364.db2.gz RKKLHOFLOAYJBG-HXUWFJFHSA-N 1 0 406.505 3.517 20 30 HHEDRO CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000548908186 1010756806 /nfs/dbraw/zinc/75/68/06/1010756806.db2.gz FZRYRQCCTWLXFY-UHFFFAOYSA-N 1 0 421.360 3.662 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000522078693 1010795885 /nfs/dbraw/zinc/79/58/85/1010795885.db2.gz OJFOKQMSLSTFFF-CDNGDFIJSA-N 1 0 412.578 3.915 20 30 HHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1OC ZINC000522418495 1010995694 /nfs/dbraw/zinc/99/56/94/1010995694.db2.gz VIRKPCFNZQKOPU-JOCHJYFZSA-N 1 0 421.541 3.679 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000522430727 1011005808 /nfs/dbraw/zinc/00/58/08/1011005808.db2.gz FTZIUOBGFIIUSU-ROUUACIJSA-N 1 0 423.536 3.961 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000522589888 1011096086 /nfs/dbraw/zinc/09/60/86/1011096086.db2.gz SMWKIDGKTGQPQL-UHFFFAOYSA-N 1 0 416.481 3.520 20 30 HHEDRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)(C)C ZINC000522594299 1011098812 /nfs/dbraw/zinc/09/88/12/1011098812.db2.gz KFSVVGSWYFCKEI-NRFANRHFSA-N 1 0 422.529 3.772 20 30 HHEDRO C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000540593242 1011251351 /nfs/dbraw/zinc/25/13/51/1011251351.db2.gz AXVQZZXUFHVMLP-MRXNPFEDSA-N 1 0 407.495 4.000 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)c1C#N ZINC000536296341 1011480771 /nfs/dbraw/zinc/48/07/71/1011480771.db2.gz DEEIKCRGDBXYOF-UHFFFAOYSA-N 1 0 414.469 3.658 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OCc3ccccc3C)c2)c1C#N ZINC000536300543 1011488077 /nfs/dbraw/zinc/48/80/77/1011488077.db2.gz MLRFUHYRXOGJOQ-UHFFFAOYSA-N 1 0 417.513 3.502 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000540826113 1011490189 /nfs/dbraw/zinc/49/01/89/1011490189.db2.gz FQBQMJRMJXORMC-QHCPKHFHSA-N 1 0 420.557 3.854 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)sc2c1CCCC2 ZINC000536347347 1011551787 /nfs/dbraw/zinc/55/17/87/1011551787.db2.gz CDVHXZRMRKFCNB-CVEARBPZSA-N 1 0 419.616 3.814 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981211 1011615583 /nfs/dbraw/zinc/61/55/83/1011615583.db2.gz LUCBEVAJIZSDDQ-FUHWJXTLSA-N 1 0 418.476 3.840 20 30 HHEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000541100038 1011746151 /nfs/dbraw/zinc/74/61/51/1011746151.db2.gz AMVZOEVPYOLINH-UHFFFAOYSA-N 1 0 400.914 3.639 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)c(Cl)c1 ZINC000541101360 1011747680 /nfs/dbraw/zinc/74/76/80/1011747680.db2.gz OENQVQRHDKVUDT-VQIMIIECSA-N 1 0 424.936 3.878 20 30 HHEDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000541104295 1011751761 /nfs/dbraw/zinc/75/17/61/1011751761.db2.gz ZPRNNTAKFJUJFX-UHFFFAOYSA-N 1 0 414.941 3.983 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000536594517 1011756611 /nfs/dbraw/zinc/75/66/11/1011756611.db2.gz LPJBATNPCONAJJ-NRFANRHFSA-N 1 0 402.498 3.869 20 30 HHEDRO COc1cccc([C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)[NH+](C)C)c1 ZINC000523286547 1011766368 /nfs/dbraw/zinc/76/63/68/1011766368.db2.gz AAEAIKVHWGSQKX-QFIPXVFZSA-N 1 0 419.481 3.772 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000541117005 1011769068 /nfs/dbraw/zinc/76/90/68/1011769068.db2.gz IMHBIBROTHEGSN-YVORESIASA-N 1 0 403.935 3.675 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129161 1011786671 /nfs/dbraw/zinc/78/66/71/1011786671.db2.gz UMWDXBZBUJMJBL-QZTJIDSGSA-N 1 0 409.452 3.707 20 30 HHEDRO N#Cc1ccncc1NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000536685157 1011848676 /nfs/dbraw/zinc/84/86/76/1011848676.db2.gz QISKRSRCLDHYRM-UHFFFAOYSA-N 1 0 403.452 3.986 20 30 HHEDRO COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000541280307 1011972625 /nfs/dbraw/zinc/97/26/25/1011972625.db2.gz GOHVTZNFTMHJKV-OAQYLSRUSA-N 1 0 415.896 3.773 20 30 HHEDRO CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000551932511 1012028378 /nfs/dbraw/zinc/02/83/78/1012028378.db2.gz WGVJQYUKRZDQED-AWEZNQCLSA-N 1 0 411.303 3.912 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000551962604 1012033924 /nfs/dbraw/zinc/03/39/24/1012033924.db2.gz TWZBNLFMXPPMEI-GOSISDBHSA-N 1 0 403.906 3.759 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)cc1 ZINC000552062458 1012081172 /nfs/dbraw/zinc/08/11/72/1012081172.db2.gz YAFVWPNUWUZLIS-KRWDZBQOSA-N 1 0 412.896 3.715 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000523573325 1012117897 /nfs/dbraw/zinc/11/78/97/1012117897.db2.gz UBWZVQVKEFPYEA-MRXNPFEDSA-N 1 0 401.507 3.550 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)C(C)C ZINC000523655306 1012247616 /nfs/dbraw/zinc/24/76/16/1012247616.db2.gz DJZPRZUEZUFVRX-SFHVURJKSA-N 1 0 409.361 3.998 20 30 HHEDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000552321456 1012331121 /nfs/dbraw/zinc/33/11/21/1012331121.db2.gz RSBMPDKGMBEUDL-MRXNPFEDSA-N 1 0 412.342 3.884 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000537042276 1012361432 /nfs/dbraw/zinc/36/14/32/1012361432.db2.gz DWDGHLGYMKEZKO-CQSZACIVSA-N 1 0 424.302 3.796 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000537067658 1012405500 /nfs/dbraw/zinc/40/55/00/1012405500.db2.gz ZFMDZRORYLABJX-REWPJTCUSA-N 1 0 406.457 3.847 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](CCCO)c2ccccc2)c1C#N ZINC000537094610 1012455538 /nfs/dbraw/zinc/45/55/38/1012455538.db2.gz OOJJIFRSOVRUBL-JOCHJYFZSA-N 1 0 420.513 3.660 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000537136082 1012523102 /nfs/dbraw/zinc/52/31/02/1012523102.db2.gz JQDSILJGFMKVNH-GJZGRUSLSA-N 1 0 405.527 3.972 20 30 HHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)ccc2NC1=O ZINC000537157325 1012553306 /nfs/dbraw/zinc/55/33/06/1012553306.db2.gz AAHVYLXOBHEIBS-LXIYXOSZSA-N 1 0 410.474 3.555 20 30 HHEDRO C[S@](=O)C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000537160450 1012558570 /nfs/dbraw/zinc/55/85/70/1012558570.db2.gz RLTSUUOEZBPTLE-JMQGSBJISA-N 1 0 415.584 3.537 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1C#N ZINC000537175647 1012582059 /nfs/dbraw/zinc/58/20/59/1012582059.db2.gz UMPXGAMUOSNHHG-NRFANRHFSA-N 1 0 422.533 3.667 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000537278344 1012732812 /nfs/dbraw/zinc/73/28/12/1012732812.db2.gz DISNVMSENYJSBX-QYWGDWMGSA-N 1 0 403.548 3.731 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000537282146 1012737318 /nfs/dbraw/zinc/73/73/18/1012737318.db2.gz WNNHYKJJVWIMIS-QYWGDWMGSA-N 1 0 403.548 3.588 20 30 HHEDRO COc1ccccc1[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCCC1 ZINC000537296561 1012754052 /nfs/dbraw/zinc/75/40/52/1012754052.db2.gz XJOZUTCARBPBRO-VWLOTQADSA-N 1 0 418.585 3.958 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(C(=O)NC4CCCCC4)CC3)CC2)cc1 ZINC000537307382 1012765218 /nfs/dbraw/zinc/76/52/18/1012765218.db2.gz LIGHHEGCTVFWFE-UHFFFAOYSA-N 1 0 423.605 3.619 20 30 HHEDRO C[C@@H]1CC[C@]2(CC[N@H+](CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)C2)C1 ZINC000541949151 1012809675 /nfs/dbraw/zinc/80/96/75/1012809675.db2.gz NLUYWGDNBUFXFA-WYEJZRMESA-N 1 0 424.589 3.868 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000537390727 1012871135 /nfs/dbraw/zinc/87/11/35/1012871135.db2.gz UYMAYCRBJISDOM-UTKZUKDTSA-N 1 0 421.944 3.544 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000542019859 1012912184 /nfs/dbraw/zinc/91/21/84/1012912184.db2.gz PQKFKEPQRRWMCJ-ITGJCUMNSA-N 1 0 418.626 3.666 20 30 HHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000552918287 1012917544 /nfs/dbraw/zinc/91/75/44/1012917544.db2.gz GBLDMWTYQBPFLJ-INIZCTEOSA-N 1 0 422.472 3.948 20 30 HHEDRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542025960 1012919989 /nfs/dbraw/zinc/91/99/89/1012919989.db2.gz PHYRCQXBOVMAMF-HXUWFJFHSA-N 1 0 419.573 3.613 20 30 HHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542033103 1012930836 /nfs/dbraw/zinc/93/08/36/1012930836.db2.gz LWYXNBFKOPDQEY-HUUCEWRRSA-N 1 0 400.914 3.782 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCC(C)CC1 ZINC000542033798 1012931816 /nfs/dbraw/zinc/93/18/16/1012931816.db2.gz RYECWWMWXQDJAE-HNNXBMFYSA-N 1 0 400.914 3.639 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000542035538 1012935330 /nfs/dbraw/zinc/93/53/30/1012935330.db2.gz HNEGUUIMFBDRLI-SFHVURJKSA-N 1 0 412.925 3.880 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000553044016 1013018670 /nfs/dbraw/zinc/01/86/70/1013018670.db2.gz RCWGQULAEUVRQI-NRFANRHFSA-N 1 0 420.532 3.647 20 30 HHEDRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1CCC#N ZINC000537513640 1013026120 /nfs/dbraw/zinc/02/61/20/1013026120.db2.gz KQHASNHOFIAQEO-KRWDZBQOSA-N 1 0 420.439 3.520 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[NH+](C)C)cc1 ZINC000553053763 1013027948 /nfs/dbraw/zinc/02/79/48/1013027948.db2.gz KEUCCKJKLQTYAT-NFBKMPQASA-N 1 0 408.521 3.505 20 30 HHEDRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1CCC#N ZINC000537515597 1013029115 /nfs/dbraw/zinc/02/91/15/1013029115.db2.gz POHBVARBPPTLGV-SFTDATJTSA-N 1 0 406.534 3.624 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000537524833 1013040962 /nfs/dbraw/zinc/04/09/62/1013040962.db2.gz IVDMHPGQFRYDOS-JOCHJYFZSA-N 1 0 406.530 3.795 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccccc1SCc1occc1C(=O)OC ZINC000729811826 1072121209 /nfs/dbraw/zinc/12/12/09/1072121209.db2.gz CZGCHZPXSVZPBK-INIZCTEOSA-N 1 0 413.495 3.613 20 30 HHEDRO COC(=O)[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccc(C#N)c1 ZINC000612051716 1072219624 /nfs/dbraw/zinc/21/96/24/1072219624.db2.gz JURSPHRVMDXGBO-CJRSTVEYSA-N 1 0 403.526 3.663 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000760457650 1072365428 /nfs/dbraw/zinc/36/54/28/1072365428.db2.gz ZENQRNFQHUMRFC-UHFFFAOYSA-N 1 0 419.447 3.741 20 30 HHEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000586794978 1072444592 /nfs/dbraw/zinc/44/45/92/1072444592.db2.gz KXGFFNKPWOZTAA-KRWDZBQOSA-N 1 0 424.353 3.811 20 30 HHEDRO C=CCCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001212111405 1072480492 /nfs/dbraw/zinc/48/04/92/1072480492.db2.gz ZJCVVFYONVHDJD-FCHUYYIVSA-N 1 0 402.535 3.679 20 30 HHEDRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001691582372 1072489452 /nfs/dbraw/zinc/48/94/52/1072489452.db2.gz BJCINHBNMHSCBC-OAQYLSRUSA-N 1 0 409.582 3.534 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000587706285 1072651592 /nfs/dbraw/zinc/65/15/92/1072651592.db2.gz VFMPQTHXJIIUCK-OALUTQOASA-N 1 0 420.557 3.761 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000587992454 1072734391 /nfs/dbraw/zinc/73/43/91/1072734391.db2.gz LSZRBEDENBUUBU-AOYPEHQESA-N 1 0 414.553 3.652 20 30 HHEDRO C=CCc1ccc(OCC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC001126870035 1072858990 /nfs/dbraw/zinc/85/89/90/1072858990.db2.gz QKIJZLXFRJIGKM-JOCHJYFZSA-N 1 0 408.542 3.926 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554866868 1072911397 /nfs/dbraw/zinc/91/13/97/1072911397.db2.gz LEBINCCAJJPFBX-HSZRJFAPSA-N 1 0 403.526 3.663 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)c(OC)c1 ZINC000571962956 1072957150 /nfs/dbraw/zinc/95/71/50/1072957150.db2.gz JUDURSZVFIXTLN-HXUWFJFHSA-N 1 0 409.526 3.719 20 30 HHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000588666762 1073083537 /nfs/dbraw/zinc/08/35/37/1073083537.db2.gz WVEGAVJSIGFICU-NOZRDPDXSA-N 1 0 400.526 3.853 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000555129189 1073180469 /nfs/dbraw/zinc/18/04/69/1073180469.db2.gz KRCRYDMNBFAXIE-UNMCSNQZSA-N 1 0 418.532 3.763 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000572138415 1073201188 /nfs/dbraw/zinc/20/11/88/1073201188.db2.gz TVMCDOJFJDEGOY-WIYYLYMNSA-N 1 0 422.533 3.883 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc3ccccc3n2CC#N)[NH+](C)C)cc1 ZINC000588780283 1073205545 /nfs/dbraw/zinc/20/55/45/1073205545.db2.gz KRMGCXRZNWZWFW-HSZRJFAPSA-N 1 0 404.514 3.985 20 30 HHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000555176310 1073235791 /nfs/dbraw/zinc/23/57/91/1073235791.db2.gz KUGGJLNPSQDAFB-HXUWFJFHSA-N 1 0 412.559 3.615 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000555271617 1073290752 /nfs/dbraw/zinc/29/07/52/1073290752.db2.gz CMMFHUNIKWZQPJ-GOSISDBHSA-N 1 0 413.566 3.707 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000555324466 1073341026 /nfs/dbraw/zinc/34/10/26/1073341026.db2.gz ZBFWKFULHMSACY-UHFFFAOYSA-N 1 0 424.593 3.802 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H]4C[N@H+](C)C[C@H]43)sc2C1 ZINC000590010638 1073449167 /nfs/dbraw/zinc/44/91/67/1073449167.db2.gz RFPZIQRMBSCZDI-GPMSIDNRSA-N 1 0 414.619 3.735 20 30 HHEDRO C=CCn1c2nnc(S[C@H]3CC[N@H+](Cc4ccccc4)C3)n2c2ccccc2c1=O ZINC000555468487 1073534944 /nfs/dbraw/zinc/53/49/44/1073534944.db2.gz AHGRJTQCRDQKAF-SFHVURJKSA-N 1 0 417.538 3.597 20 30 HHEDRO CCN(CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1Cl ZINC000555553985 1073620992 /nfs/dbraw/zinc/62/09/92/1073620992.db2.gz VUDPOHRRCNYQCC-UHFFFAOYSA-N 1 0 424.976 3.768 20 30 HHEDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000590386577 1073749218 /nfs/dbraw/zinc/74/92/18/1073749218.db2.gz BIDRFIUTJKASSE-SFHVURJKSA-N 1 0 405.498 3.676 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000555871760 1073916306 /nfs/dbraw/zinc/91/63/06/1073916306.db2.gz AKISOKZBFJNLFB-WBVHZDCISA-N 1 0 424.570 3.807 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000555992471 1074022856 /nfs/dbraw/zinc/02/28/56/1074022856.db2.gz RENDTYBHCNLCOV-FQEVSTJZSA-N 1 0 423.557 3.528 20 30 HHEDRO C=CCn1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)[NH+](C)C)nn1 ZINC001126925597 1074082742 /nfs/dbraw/zinc/08/27/42/1074082742.db2.gz RGBQQBWONZJVKX-IBGZPJMESA-N 1 0 424.376 4.000 20 30 HHEDRO C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1=CC[N@H+](C)CC1 ZINC000573825845 1074651590 /nfs/dbraw/zinc/65/15/90/1074651590.db2.gz UQCZNHQMTZLZLG-MRXNPFEDSA-N 1 0 400.954 3.585 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1 ZINC000592070199 1074687250 /nfs/dbraw/zinc/68/72/50/1074687250.db2.gz BYECGBLBYFUSQK-UHFFFAOYSA-N 1 0 412.534 3.974 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)CC1 ZINC000592077131 1074688234 /nfs/dbraw/zinc/68/82/34/1074688234.db2.gz AADMHWDJMPZJJT-LFCNWEHWSA-N 1 0 415.622 3.500 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000573988231 1074749278 /nfs/dbraw/zinc/74/92/78/1074749278.db2.gz CFWGQXRKGXXBIA-GERBCZOESA-N 1 0 413.562 3.893 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000592490222 1074769238 /nfs/dbraw/zinc/76/92/38/1074769238.db2.gz FJUCXIULGNOBPC-QFIPXVFZSA-N 1 0 424.614 3.797 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000592495416 1074771692 /nfs/dbraw/zinc/77/16/92/1074771692.db2.gz VEROUSMANZNRSN-IMRBUKKESA-N 1 0 401.395 3.846 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)C2)c1C#N ZINC000761047633 1075260012 /nfs/dbraw/zinc/26/00/12/1075260012.db2.gz WHYPKRRNJNGIQH-HNNXBMFYSA-N 1 0 408.424 3.831 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1C#N ZINC000761047637 1075260083 /nfs/dbraw/zinc/26/00/83/1075260083.db2.gz WHYPKRRNJNGIQH-OAHLLOKOSA-N 1 0 408.424 3.831 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc(OC)c1OC ZINC000594298106 1075279777 /nfs/dbraw/zinc/27/97/77/1075279777.db2.gz ATOJOVKJPWLBBX-HXUWFJFHSA-N 1 0 401.551 3.592 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000574541391 1075284719 /nfs/dbraw/zinc/28/47/19/1075284719.db2.gz KDNCCBPVGRXXPM-DRSNIGMVSA-N 1 0 416.591 3.504 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C(C)C ZINC000761067214 1075325852 /nfs/dbraw/zinc/32/58/52/1075325852.db2.gz ISSRPYIFFRIYOF-SFHVURJKSA-N 1 0 405.926 3.508 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Sc3ccccc3)c2)CC1 ZINC000595080627 1075401802 /nfs/dbraw/zinc/40/18/02/1075401802.db2.gz MWFDVVAOWLHOTG-UHFFFAOYSA-N 1 0 409.555 3.933 20 30 HHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C#N)c(Cl)cc3Cl)CC2)CC1 ZINC001164618145 719034177 /nfs/dbraw/zinc/03/41/77/719034177.db2.gz TZTOXYDCOFANON-UHFFFAOYSA-N 1 0 411.333 3.504 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)c(Cl)nn2)c1 ZINC001164615818 719037862 /nfs/dbraw/zinc/03/78/62/719037862.db2.gz PGAXINMBAZFRGP-UHFFFAOYSA-N 1 0 403.864 3.649 20 30 HHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164709568 720093345 /nfs/dbraw/zinc/09/33/45/720093345.db2.gz ATAVMRVAPGQGGL-LJQANCHMSA-N 1 0 411.937 3.509 20 30 HHEDRO COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760601 721046936 /nfs/dbraw/zinc/04/69/36/721046936.db2.gz XOWAENYIFMXGMV-UHFFFAOYSA-N 1 0 418.541 3.931 20 30 HHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C#C[Si](C)(C)C)[C@H]2CCCO[C@@H]12 ZINC001164804685 721565528 /nfs/dbraw/zinc/56/55/28/721565528.db2.gz MCPQIPYPJFTFHR-YTFSRNRJSA-N 1 0 420.633 3.574 20 30 HHEDRO N#Cc1cc2c(nc1N1CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C1)CCCC2 ZINC001164908198 721724858 /nfs/dbraw/zinc/72/48/58/721724858.db2.gz WKINGTPMUDYSLC-HSZRJFAPSA-N 1 0 423.511 3.965 20 30 HHEDRO N#CCc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164909676 721732008 /nfs/dbraw/zinc/73/20/08/721732008.db2.gz CTBVAIRUFXEQTI-HXUWFJFHSA-N 1 0 417.891 3.934 20 30 HHEDRO N#CCc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164909672 721732032 /nfs/dbraw/zinc/73/20/32/721732032.db2.gz CTBVAIRUFXEQTI-FQEVSTJZSA-N 1 0 417.891 3.934 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(Cl)ncc2C#N)CC1 ZINC001165023358 721838662 /nfs/dbraw/zinc/83/86/62/721838662.db2.gz VOYZMTFPPLKKEI-UHFFFAOYSA-N 1 0 400.910 3.725 20 30 HHEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934311 721891005 /nfs/dbraw/zinc/89/10/05/721891005.db2.gz OSAVIURLXCTIRQ-DLBZAZTESA-N 1 0 404.345 3.628 20 30 HHEDRO CCC[NH+]1CCN(c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])cc2Cl)CC1 ZINC000301649841 971015140 /nfs/dbraw/zinc/01/51/40/971015140.db2.gz PLWNXQZCLSYJNO-UHFFFAOYSA-N 1 0 400.870 3.790 20 30 HHEDRO N#Cc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301785856 971066062 /nfs/dbraw/zinc/06/60/62/971066062.db2.gz VBIWTVYDJRXTGK-UHFFFAOYSA-N 1 0 417.469 3.583 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)cc1 ZINC000302041929 971159129 /nfs/dbraw/zinc/15/91/29/971159129.db2.gz IOFBYAZPMRLDKU-UHFFFAOYSA-N 1 0 402.401 3.780 20 30 HHEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000302752513 971303135 /nfs/dbraw/zinc/30/31/35/971303135.db2.gz HZPGPQPIYBMQHA-NRFANRHFSA-N 1 0 411.571 3.566 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000553116516 1013079127 /nfs/dbraw/zinc/07/91/27/1013079127.db2.gz ZJHPYBBCQKKMPR-QHCPKHFHSA-N 1 0 410.562 3.660 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043125 971472580 /nfs/dbraw/zinc/47/25/80/971472580.db2.gz SUENYBDRRDCBBV-DHIUTWEWSA-N 1 0 416.606 3.607 20 30 HHEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 ZINC000542154308 1013089681 /nfs/dbraw/zinc/08/96/81/1013089681.db2.gz NMOOMJKLAQOQJK-OAHLLOKOSA-N 1 0 421.607 3.889 20 30 HHEDRO Cc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n2c3ccccc3nc2c1C#N ZINC000303124002 971515148 /nfs/dbraw/zinc/51/51/48/971515148.db2.gz GLSINQAPHYCDMC-OALUTQOASA-N 1 0 417.557 3.993 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000303145626 971526416 /nfs/dbraw/zinc/52/64/16/971526416.db2.gz FDRWXFQSZXLYES-UHFFFAOYSA-N 1 0 415.342 3.626 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000303239651 971575394 /nfs/dbraw/zinc/57/53/94/971575394.db2.gz ALYFFAFKYKEWMJ-UHFFFAOYSA-N 1 0 417.509 3.994 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000303252688 971581657 /nfs/dbraw/zinc/58/16/57/971581657.db2.gz GDBUTKIVJNPAJQ-UHFFFAOYSA-N 1 0 416.525 3.928 20 30 HHEDRO COc1ccccc1C[C@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303282412 971597289 /nfs/dbraw/zinc/59/72/89/971597289.db2.gz IYLXURYOKPTOIG-FQEVSTJZSA-N 1 0 405.542 3.870 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000303470752 971772912 /nfs/dbraw/zinc/77/29/12/971772912.db2.gz HOPHRNYVXMOMRA-QIJUGHKUSA-N 1 0 409.574 3.537 20 30 HHEDRO CCCC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](CC)c1ccccc1 ZINC000303596861 971888192 /nfs/dbraw/zinc/88/81/92/971888192.db2.gz JFLBDCKHQPOPMX-QFIPXVFZSA-N 1 0 423.561 3.757 20 30 HHEDRO C[NH+](C)Cc1cc(CNC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1F ZINC000303704037 971971120 /nfs/dbraw/zinc/97/11/20/971971120.db2.gz SBZSNPHUWLWLRM-UHFFFAOYSA-N 1 0 415.353 3.914 20 30 HHEDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303774463 972020207 /nfs/dbraw/zinc/02/02/07/972020207.db2.gz FXPVERDVWPQQPO-UHFFFAOYSA-N 1 0 405.502 3.636 20 30 HHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2CS(=O)(=O)NC(C)C)cc1 ZINC000303781358 972023992 /nfs/dbraw/zinc/02/39/92/972023992.db2.gz MBOOFKFTLZLOMJ-QGZVFWFLSA-N 1 0 416.591 3.955 20 30 HHEDRO C=C(C)COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1OC ZINC000537621639 1013167737 /nfs/dbraw/zinc/16/77/37/1013167737.db2.gz AMJVDSYIFRTXLB-UHFFFAOYSA-N 1 0 401.595 3.641 20 30 HHEDRO [NH2+]=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303863923 972406057 /nfs/dbraw/zinc/40/60/57/972406057.db2.gz ARXZGNNOPDDNJP-DENIHFKCSA-N 1 0 412.965 3.945 20 30 HHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2OCCN2CCOCC2)cc1 ZINC000303872186 972414151 /nfs/dbraw/zinc/41/41/51/972414151.db2.gz GBMNJHMZWXTRBJ-IBGZPJMESA-N 1 0 410.562 3.838 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(Cl)cc1Cl ZINC000303873653 972415076 /nfs/dbraw/zinc/41/50/76/972415076.db2.gz CQQSJIYFUNFSAU-KBPBESRZSA-N 1 0 422.360 3.779 20 30 HHEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 ZINC000303879069 972420538 /nfs/dbraw/zinc/42/05/38/972420538.db2.gz GKZDBWXTIKMOGK-KRWDZBQOSA-N 1 0 414.575 3.596 20 30 HHEDRO CCCCCCCCNC(=[NH2+])NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000303901579 972471051 /nfs/dbraw/zinc/47/10/51/972471051.db2.gz XMOCLKPUJJSOCC-OALUTQOASA-N 1 0 402.583 3.701 20 30 HHEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000303931146 972510166 /nfs/dbraw/zinc/51/01/66/972510166.db2.gz ZYYGSVJSAHMWQM-UHFFFAOYSA-N 1 0 414.465 3.763 20 30 HHEDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 ZINC000553231653 1013196482 /nfs/dbraw/zinc/19/64/82/1013196482.db2.gz XCNMNHMPFFBQAF-MRXNPFEDSA-N 1 0 406.486 3.916 20 30 HHEDRO CN(C)C(=O)C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000553253485 1013220461 /nfs/dbraw/zinc/22/04/61/1013220461.db2.gz NPUWWSQLJXQQEM-IBGZPJMESA-N 1 0 424.570 3.636 20 30 HHEDRO CN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000553287516 1013244108 /nfs/dbraw/zinc/24/41/08/1013244108.db2.gz UHCMRXKZYLDFBU-LJQANCHMSA-N 1 0 400.954 3.513 20 30 HHEDRO CC(C)[N@@H+]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000553289896 1013246945 /nfs/dbraw/zinc/24/69/45/1013246945.db2.gz RICJHVHTMQXGQS-UHFFFAOYSA-N 1 0 402.970 3.761 20 30 HHEDRO N#Cc1cc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)ccn1 ZINC000553295600 1013253040 /nfs/dbraw/zinc/25/30/40/1013253040.db2.gz INVHHZXBSBLLBS-UHFFFAOYSA-N 1 0 405.483 3.912 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000553334497 1013281334 /nfs/dbraw/zinc/28/13/34/1013281334.db2.gz PNBAXDAYDCJEJS-HYBUGGRVSA-N 1 0 407.514 3.699 20 30 HHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000553372923 1013309492 /nfs/dbraw/zinc/30/94/92/1013309492.db2.gz IQPCCOIVKCXPBN-LJQANCHMSA-N 1 0 402.970 3.761 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000537850843 1013419207 /nfs/dbraw/zinc/41/92/07/1013419207.db2.gz DLEDJEBGSQGVMC-UHFFFAOYSA-N 1 0 421.541 3.623 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[n+]1cccc(C)c1 ZINC000022798481 963718660 /nfs/dbraw/zinc/71/86/60/963718660.db2.gz LGEPAMFTBANQPJ-UHFFFAOYSA-O 1 0 414.551 3.509 20 30 HHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[n+]1ccc(CC)cc1 ZINC000022805744 963720620 /nfs/dbraw/zinc/72/06/20/963720620.db2.gz IWSBVYISTNCGMK-UHFFFAOYSA-O 1 0 416.567 3.597 20 30 HHEDRO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000022850465 963728437 /nfs/dbraw/zinc/72/84/37/963728437.db2.gz JGLTUWRNFHCZAP-UHFFFAOYSA-N 1 0 401.457 3.876 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000023602976 963858857 /nfs/dbraw/zinc/85/88/57/963858857.db2.gz QYDMSSAVLHAPGA-SFHVURJKSA-O 1 0 400.568 3.579 20 30 HHEDRO Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000542508703 1013453486 /nfs/dbraw/zinc/45/34/86/1013453486.db2.gz NADBBWLTVHJHDP-GOSISDBHSA-N 1 0 400.906 3.803 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(OC)c1 ZINC000025300214 964232841 /nfs/dbraw/zinc/23/28/41/964232841.db2.gz KGYJDFXCMGFSDP-JOCHJYFZSA-N 1 0 424.541 3.514 20 30 HHEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000025867653 964377952 /nfs/dbraw/zinc/37/79/52/964377952.db2.gz HSPAUZAVJOOGBJ-MOPGFXCFSA-N 1 0 407.539 3.982 20 30 HHEDRO CCOc1ccccc1-c1cccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)c1 ZINC000537917329 1013502235 /nfs/dbraw/zinc/50/22/35/1013502235.db2.gz OOHSYFUIBKIUOV-UHFFFAOYSA-N 1 0 403.486 3.751 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc(OC)c1OC ZINC000051674914 964658891 /nfs/dbraw/zinc/65/88/91/964658891.db2.gz HSBMNZTYMFASDS-KRWDZBQOSA-N 1 0 403.548 3.596 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1OC ZINC000027342261 964856574 /nfs/dbraw/zinc/85/65/74/964856574.db2.gz SSLQWOZBHNTBHZ-OAQYLSRUSA-N 1 0 410.514 3.836 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000052485689 964916174 /nfs/dbraw/zinc/91/61/74/964916174.db2.gz MAFATDHNRVSUTP-OTWHNJEPSA-N 1 0 419.639 3.668 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[NH+](CCc3ccccc3)CC2)sc2c1CCCC2 ZINC000027576521 964923135 /nfs/dbraw/zinc/92/31/35/964923135.db2.gz PJDVNYBNPZSTEV-UHFFFAOYSA-N 1 0 422.598 3.687 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1C#N ZINC000027932262 965001188 /nfs/dbraw/zinc/00/11/88/965001188.db2.gz OPWRLODPUWWJTF-UHFFFAOYSA-N 1 0 420.582 3.989 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000028960734 965225911 /nfs/dbraw/zinc/22/59/11/965225911.db2.gz DIPGVIQEPBLVRD-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c4c(nc5ccccc53)CCC4)CC2)cc1 ZINC000053721038 965254259 /nfs/dbraw/zinc/25/42/59/965254259.db2.gz DDSUCCYVWCRSCB-UHFFFAOYSA-N 1 0 410.521 3.943 20 30 HHEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000537984526 1013559639 /nfs/dbraw/zinc/55/96/39/1013559639.db2.gz XXURIECWUBYWJX-CQSZACIVSA-N 1 0 405.376 3.972 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000054392893 965501125 /nfs/dbraw/zinc/50/11/25/965501125.db2.gz DMEAWFIYPRWHGU-QGZVFWFLSA-N 1 0 419.504 3.989 20 30 HHEDRO CN(CCCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000054642797 965590596 /nfs/dbraw/zinc/59/05/96/965590596.db2.gz NUCCLBUTRDIATA-UHFFFAOYSA-N 1 0 419.573 3.692 20 30 HHEDRO N#Cc1cccc(OCC[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC000055055681 965746061 /nfs/dbraw/zinc/74/60/61/965746061.db2.gz WYWZRBUNPXYWIE-UHFFFAOYSA-N 1 0 401.304 3.995 20 30 HHEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC000055055554 965746107 /nfs/dbraw/zinc/74/61/07/965746107.db2.gz KVMXGJSSXRDXGL-UHFFFAOYSA-N 1 0 414.303 3.555 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000055388341 965837665 /nfs/dbraw/zinc/83/76/65/965837665.db2.gz XACQRISGNSVMJD-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000055388377 965838858 /nfs/dbraw/zinc/83/88/58/965838858.db2.gz GKUSAVOQMLBBEE-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000055446259 965866758 /nfs/dbraw/zinc/86/67/58/965866758.db2.gz URMQZEWWPHTTIK-UHFFFAOYSA-N 1 0 405.454 3.923 20 30 HHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000031103318 965897971 /nfs/dbraw/zinc/89/79/71/965897971.db2.gz WFDOIKYBTMZCSO-UHFFFAOYSA-N 1 0 423.536 3.571 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[NH+]1CCCCC1 ZINC000055752504 966049523 /nfs/dbraw/zinc/04/95/23/966049523.db2.gz HYSBDBDJZZSSIJ-RXVVDRJESA-N 1 0 407.514 3.678 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC000060090239 966059823 /nfs/dbraw/zinc/05/98/23/966059823.db2.gz ILUUIYJZBUHHMF-OAQYLSRUSA-N 1 0 405.502 3.563 20 30 HHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055943164 966148759 /nfs/dbraw/zinc/14/87/59/966148759.db2.gz VGBJHTBNFKACQT-PXNSSMCTSA-N 1 0 401.919 3.517 20 30 HHEDRO CC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469685 966159412 /nfs/dbraw/zinc/15/94/12/966159412.db2.gz PPDPJGIESRQSAU-LJQANCHMSA-N 1 0 408.521 3.819 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C1 ZINC000032267985 966209691 /nfs/dbraw/zinc/20/96/91/966209691.db2.gz OOQYDRXNKRCIIA-NRFANRHFSA-N 1 0 423.582 3.937 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1sccc1Br ZINC000060591580 966220476 /nfs/dbraw/zinc/22/04/76/966220476.db2.gz LWSLGGFSFNPNJE-UHFFFAOYSA-N 1 0 421.364 3.656 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000056622398 966398720 /nfs/dbraw/zinc/39/87/20/966398720.db2.gz CZJBPGZDVCJZHI-UHFFFAOYSA-N 1 0 415.335 3.594 20 30 HHEDRO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000036684935 966439858 /nfs/dbraw/zinc/43/98/58/966439858.db2.gz JDTQUFLLZSZEAF-MBSDFSHPSA-N 1 0 407.514 3.678 20 30 HHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)c1 ZINC000538088244 1013661072 /nfs/dbraw/zinc/66/10/72/1013661072.db2.gz WUIMMZFGQSBSEP-UHFFFAOYSA-N 1 0 406.530 3.744 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)C1 ZINC000062047123 966607003 /nfs/dbraw/zinc/60/70/03/966607003.db2.gz JQPGJBGQUSCSLB-MRXNPFEDSA-N 1 0 424.932 3.698 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12)C(C)C ZINC000041855838 966651677 /nfs/dbraw/zinc/65/16/77/966651677.db2.gz OYQLBJGCWDNFEK-IBGZPJMESA-N 1 0 414.937 3.642 20 30 HHEDRO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643696 966819240 /nfs/dbraw/zinc/81/92/40/966819240.db2.gz SYAAFSIRXFJCHV-LEWJYISDSA-N 1 0 404.558 3.640 20 30 HHEDRO N#Cc1cccc(OCC[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000538117956 1013678780 /nfs/dbraw/zinc/67/87/80/1013678780.db2.gz MQGMEOGGNSVMBV-FQEVSTJZSA-N 1 0 417.431 3.909 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000042813670 966852122 /nfs/dbraw/zinc/85/21/22/966852122.db2.gz YUBWYBQMOZOSHJ-XMMPIXPASA-N 1 0 417.557 3.617 20 30 HHEDRO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)CC(C)C ZINC000063496372 966874786 /nfs/dbraw/zinc/87/47/86/966874786.db2.gz OMQNGWMGVDKHJB-UHFFFAOYSA-N 1 0 414.525 3.707 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000043078022 966896969 /nfs/dbraw/zinc/89/69/69/966896969.db2.gz TYITXZBAQKXVAX-UHFFFAOYSA-N 1 0 416.447 3.995 20 30 HHEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000538123970 1013685993 /nfs/dbraw/zinc/68/59/93/1013685993.db2.gz FXLOPIJFJLGKKW-AVRDEDQJSA-N 1 0 403.482 3.623 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000063788060 966957769 /nfs/dbraw/zinc/95/77/69/966957769.db2.gz JNHBREKGWBWRKZ-UHFFFAOYSA-N 1 0 424.520 3.520 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130039 967060185 /nfs/dbraw/zinc/06/01/85/967060185.db2.gz VIDLKROCEWVDCC-FQEVSTJZSA-N 1 0 412.578 3.528 20 30 HHEDRO COc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1OCCCC#N ZINC000064614036 967249866 /nfs/dbraw/zinc/24/98/66/967249866.db2.gz OBKNVRILHMESEE-KDURUIRLSA-N 1 0 424.545 3.676 20 30 HHEDRO CCOc1ccccc1[C@@H](CC)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000538152679 1013713013 /nfs/dbraw/zinc/71/30/13/1013713013.db2.gz FXGKCPLOZYNSOV-HXUWFJFHSA-N 1 0 403.486 3.822 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000045303571 967413631 /nfs/dbraw/zinc/41/36/31/967413631.db2.gz YOJZMMKRHRHZPI-UHFFFAOYSA-N 1 0 404.436 3.850 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccccc1-n1cccn1 ZINC000538159164 1013720561 /nfs/dbraw/zinc/72/05/61/1013720561.db2.gz MJSMMGWGAQEMDD-CABCVRRESA-N 1 0 405.527 3.972 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000553953870 1013720982 /nfs/dbraw/zinc/72/09/82/1013720982.db2.gz WCYQLDLQVXPADW-LJQANCHMSA-N 1 0 406.313 3.953 20 30 HHEDRO CCOc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045351662 967434935 /nfs/dbraw/zinc/43/49/35/967434935.db2.gz YWXPEIVQABLANR-IBGZPJMESA-N 1 0 406.530 3.935 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000065414390 967457050 /nfs/dbraw/zinc/45/70/50/967457050.db2.gz FPLRGWRZCKUQEN-FQEVSTJZSA-N 1 0 406.530 3.636 20 30 HHEDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000538177037 1013736517 /nfs/dbraw/zinc/73/65/17/1013736517.db2.gz ZDIVIONDAFRVOB-SQJMNOBHSA-N 1 0 423.557 3.940 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000046120678 967667335 /nfs/dbraw/zinc/66/73/35/967667335.db2.gz PUJXVNWNLMUVSF-UHFFFAOYSA-N 1 0 412.603 3.783 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000538179606 1013738346 /nfs/dbraw/zinc/73/83/46/1013738346.db2.gz OHPWZNWFHRHMKX-HNNXBMFYSA-N 1 0 421.457 3.815 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000538182846 1013741431 /nfs/dbraw/zinc/74/14/31/1013741431.db2.gz BIFGPLLTYPKJIU-UHFFFAOYSA-N 1 0 418.541 3.572 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000538237049 1013785322 /nfs/dbraw/zinc/78/53/22/1013785322.db2.gz HILBSOQOYRFOOV-RTBURBONSA-N 1 0 417.513 3.867 20 30 HHEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)CC1 ZINC000542955427 1013786481 /nfs/dbraw/zinc/78/64/81/1013786481.db2.gz IPEGYERNQKLIMG-IBGZPJMESA-N 1 0 424.524 3.859 20 30 HHEDRO CC(C)n1ncc2cc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cnc21 ZINC000048063944 968405677 /nfs/dbraw/zinc/40/56/77/968405677.db2.gz ZMSJAXWYOBRCFD-UHFFFAOYSA-N 1 0 417.517 3.624 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048160242 968462340 /nfs/dbraw/zinc/46/23/40/968462340.db2.gz PBUQEYGMLDWKMG-QFIPXVFZSA-N 1 0 406.530 3.561 20 30 HHEDRO Cc1[nH]c2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2c1C ZINC000065696460 968596118 /nfs/dbraw/zinc/59/61/18/968596118.db2.gz VVCLXEJGVYIWNY-UHFFFAOYSA-N 1 0 403.530 3.930 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000065975262 968747163 /nfs/dbraw/zinc/74/71/63/968747163.db2.gz ZLKOLSUPFKXMSW-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO COc1ccc(C(=[NH2+])NOC=C(O)c2cc(C)n(CCc3cccs3)c2C)cc1 ZINC000071965293 968914591 /nfs/dbraw/zinc/91/45/91/968914591.db2.gz HQKLCTLLBWQDJM-UHFFFAOYSA-N 1 0 411.527 3.938 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccc1F ZINC000078611212 969008111 /nfs/dbraw/zinc/00/81/11/969008111.db2.gz BNISWACQIUEHIS-UHFFFAOYSA-N 1 0 421.925 3.541 20 30 HHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000078994498 969027307 /nfs/dbraw/zinc/02/73/07/969027307.db2.gz JWMBDNIQLMRERL-SFHVURJKSA-N 1 0 423.488 3.674 20 30 HHEDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)cc1 ZINC000097494651 969147617 /nfs/dbraw/zinc/14/76/17/969147617.db2.gz QSGRZKNOTATJRE-NRFANRHFSA-N 1 0 420.557 3.851 20 30 HHEDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)cc1 ZINC000097494652 969147747 /nfs/dbraw/zinc/14/77/47/969147747.db2.gz KSDJRBJEVBAZRB-ITGJCUMNSA-N 1 0 412.578 3.527 20 30 HHEDRO C[C@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000097571503 969166043 /nfs/dbraw/zinc/16/60/43/969166043.db2.gz WQEZEIOFJBITSC-HNNXBMFYSA-N 1 0 416.472 3.615 20 30 HHEDRO CN(Cc1ccc(C#N)cc1)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110125453 969626692 /nfs/dbraw/zinc/62/66/92/969626692.db2.gz ZAOUFXDIDWPRNG-NRFANRHFSA-N 1 0 401.432 3.971 20 30 HHEDRO C=CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(C#N)c1 ZINC000110177433 969633628 /nfs/dbraw/zinc/63/36/28/969633628.db2.gz KBLBQLQWUUICHA-UHFFFAOYSA-N 1 0 420.582 3.734 20 30 HHEDRO CC(C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000110894146 969736333 /nfs/dbraw/zinc/73/63/33/969736333.db2.gz VKJBXBXNLNNCIJ-QFIPXVFZSA-N 1 0 412.578 3.586 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CCC[C@@H]2C[NH+]2CCCC2)sc2c1CCCCC2 ZINC000111051098 969767245 /nfs/dbraw/zinc/76/72/45/969767245.db2.gz ZWZIIRARWPZAGI-QGZVFWFLSA-N 1 0 400.592 3.777 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000112681612 969824329 /nfs/dbraw/zinc/82/43/29/969824329.db2.gz WZLIUYMASUCCST-HXUWFJFHSA-N 1 0 408.502 3.709 20 30 HHEDRO Cc1cc(Cl)ccc1NC(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000116689415 969914396 /nfs/dbraw/zinc/91/43/96/969914396.db2.gz ICXZZNXLSMQJMM-UHFFFAOYSA-N 1 0 414.937 3.910 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000116862157 969926329 /nfs/dbraw/zinc/92/63/29/969926329.db2.gz LGUCIGLOXLLZCD-GOSISDBHSA-N 1 0 411.531 3.625 20 30 HHEDRO CCOc1ccc(C2(C[NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)CCOCC2)cc1 ZINC000140462700 970077859 /nfs/dbraw/zinc/07/78/59/970077859.db2.gz MROHTDUNHUYICS-GOSISDBHSA-N 1 0 407.514 3.622 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000229496354 970130500 /nfs/dbraw/zinc/13/05/00/970130500.db2.gz JKTYKPSBUNSQCF-RBBKRZOGSA-N 1 0 418.541 3.665 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCN(c4ccc(Br)cc4)C3)n2c1 ZINC000236610968 970145974 /nfs/dbraw/zinc/14/59/74/970145974.db2.gz STZYFKMGUZZCIY-MRXNPFEDSA-N 1 0 410.319 3.585 20 30 HHEDRO CCOc1c(Cl)cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000237032271 970210411 /nfs/dbraw/zinc/21/04/11/970210411.db2.gz LFEVRCFGWBRZOF-UHFFFAOYSA-N 1 0 400.910 3.773 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc(OC)c1O ZINC000237240014 970247385 /nfs/dbraw/zinc/24/73/85/970247385.db2.gz BPZJLLUINUXJIE-ROUUACIJSA-N 1 0 424.541 3.669 20 30 HHEDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237453422 970291845 /nfs/dbraw/zinc/29/18/45/970291845.db2.gz FAKUJNRFYWNQGF-UHFFFAOYSA-N 1 0 406.507 3.831 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1 ZINC000237548769 970311000 /nfs/dbraw/zinc/31/10/00/970311000.db2.gz JAUPXMURZBAXMO-BGYRXZFFSA-N 1 0 421.541 3.908 20 30 HHEDRO Cc1ccccc1COc1c(C)cc(C[NH2+]CCNC(=O)C2N=CC=CC2=O)cc1C ZINC000237752202 970353956 /nfs/dbraw/zinc/35/39/56/970353956.db2.gz WXURRXUHIHLGAT-BZZOAKBMSA-N 1 0 419.525 3.807 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c(F)c1 ZINC000237828010 970376428 /nfs/dbraw/zinc/37/64/28/970376428.db2.gz BYPTXGGLDDBHHW-HNNXBMFYSA-N 1 0 420.391 3.966 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000237972457 970407604 /nfs/dbraw/zinc/40/76/04/970407604.db2.gz IHJQCDNDSQXYKH-JOCHJYFZSA-N 1 0 406.457 3.806 20 30 HHEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554609101 1013988292 /nfs/dbraw/zinc/98/82/92/1013988292.db2.gz GAWZVWXOFRTUCM-UHFFFAOYSA-N 1 0 421.387 3.778 20 30 HHEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000186977450 970494759 /nfs/dbraw/zinc/49/47/59/970494759.db2.gz FHBKKQGQXVQXGI-UHFFFAOYSA-O 1 0 400.568 3.766 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CC2(CC(=O)Nc3nccs3)CCCCC2)CC1 ZINC000261438249 970681301 /nfs/dbraw/zinc/68/13/01/970681301.db2.gz LFRHDKQARUJPRH-UHFFFAOYSA-N 1 0 418.607 3.969 20 30 HHEDRO C[C@H](NC(=[NH2+])NCCCc1nnc2n1CCCCC2)c1ccc(Cl)cc1Cl ZINC000303982995 972567167 /nfs/dbraw/zinc/56/71/67/972567167.db2.gz QRCNAAFMQODRMJ-ZDUSSCGKSA-N 1 0 409.365 3.909 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCC(C)(C)c2cccc(Br)c2)cc1OC ZINC000303989064 972570526 /nfs/dbraw/zinc/57/05/26/972570526.db2.gz XILHHABWEAZZSA-UHFFFAOYSA-N 1 0 420.351 3.848 20 30 HHEDRO CN(C)S(=O)(=O)c1ccccc1CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304470179 972601646 /nfs/dbraw/zinc/60/16/46/972601646.db2.gz DFGJGBPOFBLRJP-UHFFFAOYSA-N 1 0 424.526 3.656 20 30 HHEDRO COc1ccc(OC)c([C@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304503210 972602572 /nfs/dbraw/zinc/60/25/72/972602572.db2.gz SOCTVXMPEVYRNK-OAQYLSRUSA-N 1 0 407.470 3.956 20 30 HHEDRO CN(C)S(=O)(=O)c1ccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000304512362 972602828 /nfs/dbraw/zinc/60/28/28/972602828.db2.gz UCWYOYJTUASBAY-UHFFFAOYSA-N 1 0 424.526 3.656 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)Oc2ccccc2Br)cc1OC ZINC000304730993 972604030 /nfs/dbraw/zinc/60/40/30/972604030.db2.gz RBXSAOLYBLIGAT-LBPRGKRZSA-N 1 0 408.296 3.660 20 30 HHEDRO CC(C)[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)NC(=O)OC(C)(C)C ZINC000304762285 972605633 /nfs/dbraw/zinc/60/56/33/972605633.db2.gz VMCHKVRFCRLWOQ-AWEZNQCLSA-N 1 0 404.433 3.861 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2CN(C)Cc2ccco2)cc1OC ZINC000304776397 972606438 /nfs/dbraw/zinc/60/64/38/972606438.db2.gz DBNAIZWZFWKTFA-UHFFFAOYSA-N 1 0 422.529 3.533 20 30 HHEDRO COc1ccc(-n2cc(CNC(=[NH2+])Nc3cccc(Oc4ccccc4)c3)nn2)cc1 ZINC000304938818 972608565 /nfs/dbraw/zinc/60/85/65/972608565.db2.gz LSHNIFNICHAQTB-UHFFFAOYSA-N 1 0 414.469 3.995 20 30 HHEDRO Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000305083811 972610265 /nfs/dbraw/zinc/61/02/65/972610265.db2.gz NGFUHODEWSTTLD-UHFFFAOYSA-N 1 0 417.435 3.992 20 30 HHEDRO C[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)no1 ZINC000305632449 972613046 /nfs/dbraw/zinc/61/30/46/972613046.db2.gz GGKGVDVKMJBFJK-CYBMUJFWSA-N 1 0 419.407 3.843 20 30 HHEDRO C[NH+]=C(NCc1cc2ccccc2[nH]1)NCc1ccc(C)cc1OC[C@@H]1CCOC1 ZINC000305507112 972613579 /nfs/dbraw/zinc/61/35/79/972613579.db2.gz OZSZSDHBNRPXKZ-GOSISDBHSA-N 1 0 406.530 3.757 20 30 HHEDRO CSc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)N2CCc3sccc3C2)cc1 ZINC000305839766 972615015 /nfs/dbraw/zinc/61/50/15/972615015.db2.gz YPAXEWLNXNTPNT-IBGZPJMESA-N 1 0 400.617 3.978 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409890079 973353629 /nfs/dbraw/zinc/35/36/29/973353629.db2.gz GNBCYNCOQQFTKC-UHFFFAOYSA-N 1 0 414.513 3.518 20 30 HHEDRO N#Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)ccc1C(F)(F)F ZINC000410329211 973894864 /nfs/dbraw/zinc/89/48/64/973894864.db2.gz GQJKOOXKHKSKLG-INIZCTEOSA-N 1 0 421.444 3.750 20 30 HHEDRO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000410394630 973993014 /nfs/dbraw/zinc/99/30/14/973993014.db2.gz CNIWBLOORVRRAQ-GOSISDBHSA-N 1 0 403.954 3.516 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC000425940240 974050123 /nfs/dbraw/zinc/05/01/23/974050123.db2.gz ASKPBEOSEPMBHP-MSOLQXFVSA-N 1 0 420.513 3.668 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000426111177 974234710 /nfs/dbraw/zinc/23/47/10/974234710.db2.gz HUTAKLDZBNRQDY-REWPJTCUSA-N 1 0 409.530 3.646 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426674688 974594640 /nfs/dbraw/zinc/59/46/40/974594640.db2.gz LRKPADLNVGFPLX-MSOLQXFVSA-N 1 0 420.513 3.526 20 30 HHEDRO COc1cc(C[NH+]2CCC(Cn3cncn3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000426747764 974632390 /nfs/dbraw/zinc/63/23/90/974632390.db2.gz RQQZMYCSMDMPCO-UHFFFAOYSA-N 1 0 417.513 3.650 20 30 HHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](C)Cn3cccn3)sc2C1 ZINC000427003830 974815991 /nfs/dbraw/zinc/81/59/91/974815991.db2.gz ASZJGHPHGQDCGR-CVEARBPZSA-N 1 0 413.591 3.974 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000427079433 974885435 /nfs/dbraw/zinc/88/54/35/974885435.db2.gz YPLNQRNORULASP-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@@H]1OCCc2sccc21 ZINC000427868029 975328915 /nfs/dbraw/zinc/32/89/15/975328915.db2.gz VSTLXNUMFYUUDX-SIFCLUCFSA-N 1 0 401.507 3.814 20 30 HHEDRO C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000428207509 975531032 /nfs/dbraw/zinc/53/10/32/975531032.db2.gz NNXFRVOPWUUYRX-LJQANCHMSA-N 1 0 413.525 3.640 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1OC ZINC000428552121 975861588 /nfs/dbraw/zinc/86/15/88/975861588.db2.gz UNWZVSGDCRANJZ-HNNXBMFYSA-N 1 0 404.304 3.985 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000428563606 975876766 /nfs/dbraw/zinc/87/67/66/975876766.db2.gz ZSHZPDTYJZTVAN-UPVQGACJSA-N 1 0 404.489 3.859 20 30 HHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428681765 975974008 /nfs/dbraw/zinc/97/40/08/975974008.db2.gz HDTYFTSHHCQUBR-LJQANCHMSA-N 1 0 411.575 3.854 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)nc1 ZINC000428786590 976061623 /nfs/dbraw/zinc/06/16/23/976061623.db2.gz OBJCTZPMIYHXDX-HNNXBMFYSA-N 1 0 405.285 3.742 20 30 HHEDRO C[C@H](NC(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795337 976071212 /nfs/dbraw/zinc/07/12/12/976071212.db2.gz RAUKETFEELOVOC-XJKSGUPXSA-N 1 0 419.312 3.591 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1Cl ZINC000428992285 976272473 /nfs/dbraw/zinc/27/24/73/976272473.db2.gz JZUFIKLGFQIGGM-HGHGUNKESA-N 1 0 402.970 3.557 20 30 HHEDRO C[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000429094222 976379341 /nfs/dbraw/zinc/37/93/41/976379341.db2.gz PLRWZNYEPAWYPO-UYAOXDASSA-N 1 0 405.546 3.847 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c(OC)c1 ZINC000429153915 976442877 /nfs/dbraw/zinc/44/28/77/976442877.db2.gz FFVXDFVPOWGKJC-JLDZCNIISA-N 1 0 403.544 3.517 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429295056 976574954 /nfs/dbraw/zinc/57/49/54/976574954.db2.gz ACSGBWPSALKPHU-GOSISDBHSA-N 1 0 418.472 3.506 20 30 HHEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1OC ZINC000429314941 976584332 /nfs/dbraw/zinc/58/43/32/976584332.db2.gz ZDQXLDJNWWRCCE-UXHICEINSA-N 1 0 412.534 3.740 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429383265 976656853 /nfs/dbraw/zinc/65/68/53/976656853.db2.gz JWWAMSRLYQBSDH-QZTJIDSGSA-N 1 0 400.592 3.826 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429386034 976659249 /nfs/dbraw/zinc/65/92/49/976659249.db2.gz ORTHGJCWMSDOAY-MSOLQXFVSA-N 1 0 400.592 3.683 20 30 HHEDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000429387254 976660705 /nfs/dbraw/zinc/66/07/05/976660705.db2.gz KZMDTTWSOHIUAH-HXUWFJFHSA-N 1 0 412.331 3.850 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)c2)c1 ZINC000429471789 976738531 /nfs/dbraw/zinc/73/85/31/976738531.db2.gz VDCFPXWFUNGMTC-QHCPKHFHSA-N 1 0 419.525 3.821 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)CC1 ZINC000429492960 976751240 /nfs/dbraw/zinc/75/12/40/976751240.db2.gz QAOIKOGOGWKFTA-OAQYLSRUSA-N 1 0 413.953 3.901 20 30 HHEDRO N#CCCn1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1-c1ccccc1 ZINC000429722597 977013794 /nfs/dbraw/zinc/01/37/94/977013794.db2.gz STQRLOHRKOTJRQ-QFIPXVFZSA-N 1 0 413.525 3.858 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429771690 977058779 /nfs/dbraw/zinc/05/87/79/977058779.db2.gz NDFUOSYWKBILNC-TYPHKJRUSA-N 1 0 408.949 3.647 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429771687 977058824 /nfs/dbraw/zinc/05/88/24/977058824.db2.gz NDFUOSYWKBILNC-JBACZVJFSA-N 1 0 408.949 3.647 20 30 HHEDRO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000429829384 977100095 /nfs/dbraw/zinc/10/00/95/977100095.db2.gz OCIZIPRAYUKNGV-UHFFFAOYSA-N 1 0 420.435 3.502 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000430931379 977896019 /nfs/dbraw/zinc/89/60/19/977896019.db2.gz COCUOFFVHSFZDA-DHIUTWEWSA-N 1 0 403.526 3.713 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H](c2cccs2)[NH+]2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430969753 977919135 /nfs/dbraw/zinc/91/91/35/977919135.db2.gz FEGUBWFBPQDMNS-UXHICEINSA-N 1 0 409.555 3.947 20 30 HHEDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000430994372 977939362 /nfs/dbraw/zinc/93/93/62/977939362.db2.gz VEZZWFNYGARQJJ-WMZHIEFXSA-N 1 0 407.514 3.690 20 30 HHEDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)n1 ZINC000431179890 978079185 /nfs/dbraw/zinc/07/91/85/978079185.db2.gz NMCUAEDKWAYYKZ-ORAYPTAESA-N 1 0 409.877 3.804 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000431265066 978150771 /nfs/dbraw/zinc/15/07/71/978150771.db2.gz GNMUHVSNUHUCBG-XZOQPEGZSA-N 1 0 403.526 3.713 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3c[nH]c4cccc(Cl)c34)CC2)cc1 ZINC000431681295 978432524 /nfs/dbraw/zinc/43/25/24/978432524.db2.gz XUNUUGIVORXDMC-UHFFFAOYSA-N 1 0 406.917 3.970 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3cccc(C#N)c3C)CC2)c1 ZINC000432262714 978733565 /nfs/dbraw/zinc/73/35/65/978733565.db2.gz CJMQYYGXMHTOOM-UHFFFAOYSA-N 1 0 405.546 3.899 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cscc1Br ZINC000432658466 978927481 /nfs/dbraw/zinc/92/74/81/978927481.db2.gz OCQRFFAVLVFQNW-UHFFFAOYSA-N 1 0 406.349 3.515 20 30 HHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)C2)C1 ZINC000432676792 978933010 /nfs/dbraw/zinc/93/30/10/978933010.db2.gz HRBRYLBCQQTLII-XMMPIXPASA-N 1 0 404.514 3.891 20 30 HHEDRO Cc1ccccc1CN1CCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433013269 979041917 /nfs/dbraw/zinc/04/19/17/979041917.db2.gz WVPWJVILNHSOTJ-DEOSSOPVSA-N 1 0 404.558 3.664 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000433094301 979069756 /nfs/dbraw/zinc/06/97/56/979069756.db2.gz UFRTZTUAJIAPHW-UHFFFAOYSA-N 1 0 418.463 3.847 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c(-c2ccncc2)n1 ZINC000433312757 979230393 /nfs/dbraw/zinc/23/03/93/979230393.db2.gz NGKJVIUNBQUZFB-FQEVSTJZSA-N 1 0 406.559 3.847 20 30 HHEDRO COc1cccc(N2CCC[C@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000433313385 979230657 /nfs/dbraw/zinc/23/06/57/979230657.db2.gz PUZJXDGMJJARSI-NRFANRHFSA-N 1 0 416.529 3.626 20 30 HHEDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000433334284 979243900 /nfs/dbraw/zinc/24/39/00/979243900.db2.gz GYJWSYQALXSLHR-YADARESESA-N 1 0 403.530 3.578 20 30 HHEDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433337061 979246333 /nfs/dbraw/zinc/24/63/33/979246333.db2.gz BQQMVVKDBQJWMD-UHFFFAOYSA-N 1 0 409.534 3.849 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(Br)ccc1F ZINC000434000351 979748082 /nfs/dbraw/zinc/74/80/82/979748082.db2.gz ZFHBTVRFPYYANQ-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000434784730 980397587 /nfs/dbraw/zinc/39/75/87/980397587.db2.gz DLJRFEWWWGVKFN-OALUTQOASA-N 1 0 407.514 3.970 20 30 HHEDRO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1COc2ccccc2O1 ZINC000434834891 980431894 /nfs/dbraw/zinc/43/18/94/980431894.db2.gz WGKJPBASJIUGRO-HXUWFJFHSA-N 1 0 403.486 3.521 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1-c1cc(C)ccc1C ZINC000435003574 980563499 /nfs/dbraw/zinc/56/34/99/980563499.db2.gz DYUNJDMLPZJHCJ-UHFFFAOYSA-N 1 0 415.541 3.873 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1)CC(F)(F)F ZINC000435129836 980661492 /nfs/dbraw/zinc/66/14/92/980661492.db2.gz OLEMBHZJRMQFAY-QGZVFWFLSA-N 1 0 420.483 3.565 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131001 980662452 /nfs/dbraw/zinc/66/24/52/980662452.db2.gz AHQSRNZQKAPAFA-NHCUHLMSSA-N 1 0 406.578 3.945 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000435134001 980665532 /nfs/dbraw/zinc/66/55/32/980665532.db2.gz VCDKJRJDYKIOGQ-UHFFFAOYSA-N 1 0 420.561 3.520 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000435158839 980687264 /nfs/dbraw/zinc/68/72/64/980687264.db2.gz WJWVXNJPYFITEU-LZWOXQAQSA-N 1 0 415.481 3.603 20 30 HHEDRO N#Cc1ccc(SCC(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000435380404 980828315 /nfs/dbraw/zinc/82/83/15/980828315.db2.gz RBTZVOZTFFLGND-HXUWFJFHSA-N 1 0 417.538 3.933 20 30 HHEDRO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000435760654 981019364 /nfs/dbraw/zinc/01/93/64/981019364.db2.gz LOOMVMIRNRRMKE-KMDXXIMOSA-N 1 0 407.558 3.876 20 30 HHEDRO C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000435925916 981096227 /nfs/dbraw/zinc/09/62/27/981096227.db2.gz HIYFOJSGOICOMA-ICSRJNTNSA-N 1 0 408.521 3.527 20 30 HHEDRO C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000435925918 981096369 /nfs/dbraw/zinc/09/63/69/981096369.db2.gz HIYFOJSGOICOMA-QUCCMNQESA-N 1 0 408.521 3.527 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)c2ccccc2F)C1 ZINC000436022268 981162312 /nfs/dbraw/zinc/16/23/12/981162312.db2.gz LUDFUKSCVUEAJG-OAQYLSRUSA-N 1 0 404.489 3.928 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000436335887 981308236 /nfs/dbraw/zinc/30/82/36/981308236.db2.gz WTYXOSACYOLVCM-XMSQKQJNSA-N 1 0 414.550 3.604 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436373676 981333773 /nfs/dbraw/zinc/33/37/73/981333773.db2.gz TUEGEKISMLJSDT-FUDKSRODSA-N 1 0 423.561 3.741 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436373686 981333810 /nfs/dbraw/zinc/33/38/10/981333810.db2.gz TUEGEKISMLJSDT-XPNTWCBSSA-N 1 0 423.561 3.741 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(F)cc3c2[nH]c2ccc(F)cc2c3=O)CC1 ZINC000436416467 981357360 /nfs/dbraw/zinc/35/73/60/981357360.db2.gz BZYWNHGQKCHETP-UHFFFAOYSA-N 1 0 411.452 3.730 20 30 HHEDRO Cc1cc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C#N)cc1N(C)C ZINC000436495043 981400002 /nfs/dbraw/zinc/40/00/02/981400002.db2.gz GVQPSAQYNCDXEJ-QGZVFWFLSA-N 1 0 406.534 3.675 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000448196435 981608232 /nfs/dbraw/zinc/60/82/32/981608232.db2.gz KNBWJVLEBWMSOV-AVRDEDQJSA-N 1 0 405.498 3.819 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448223556 981638077 /nfs/dbraw/zinc/63/80/77/981638077.db2.gz OQKGVFSSUBZHOD-FXAWDEMLSA-N 1 0 405.464 3.715 20 30 HHEDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437092270 981757419 /nfs/dbraw/zinc/75/74/19/981757419.db2.gz LMJJBMOYKXNROF-IVMQYODDSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437096689 981759542 /nfs/dbraw/zinc/75/95/42/981759542.db2.gz MTJCXLKGQCUFOK-LAVSVTJSSA-N 1 0 405.546 3.538 20 30 HHEDRO Cc1c([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccccc1 ZINC000437099741 981761072 /nfs/dbraw/zinc/76/10/72/981761072.db2.gz RAEVQQIHQQBWMQ-YLZJTPGZSA-N 1 0 402.502 3.883 20 30 HHEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000437102620 981761810 /nfs/dbraw/zinc/76/18/10/981761810.db2.gz XFXCXLVLEFNGNR-NNGSBXSVSA-N 1 0 417.506 3.537 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](Oc3ccncc3)C1)CCCCC2 ZINC000448519020 981845499 /nfs/dbraw/zinc/84/54/99/981845499.db2.gz BMLBFBIFNPQLEA-QGZVFWFLSA-N 1 0 410.543 3.766 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437341481 981991702 /nfs/dbraw/zinc/99/17/02/981991702.db2.gz MNTGNSSBQBYSHR-QFIPXVFZSA-N 1 0 418.541 3.708 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000437417424 982058615 /nfs/dbraw/zinc/05/86/15/982058615.db2.gz ZWBFCSUOYQZHQU-CVDCTZTESA-N 1 0 415.578 3.652 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(OC(F)F)c1 ZINC000437422200 982062237 /nfs/dbraw/zinc/06/22/37/982062237.db2.gz ZMDRGINEIPABOJ-KRWDZBQOSA-N 1 0 401.461 3.857 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460370960 982148252 /nfs/dbraw/zinc/14/82/52/982148252.db2.gz SJTMAMBDKRBSTR-UHFFFAOYSA-N 1 0 410.385 3.877 20 30 HHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460371624 982148932 /nfs/dbraw/zinc/14/89/32/982148932.db2.gz PFNFWGUFWNKWCT-OAQYLSRUSA-N 1 0 405.546 3.943 20 30 HHEDRO C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460376233 982153783 /nfs/dbraw/zinc/15/37/83/982153783.db2.gz OCDAIVBUSSMWAD-TZIWHRDSSA-N 1 0 422.577 3.786 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+](CCc2ccccc2)[C@@H]2CCOC2)sc2c1CCC2 ZINC000437533801 982161402 /nfs/dbraw/zinc/16/14/02/982161402.db2.gz FXZJCKWLAUZYAU-GOSISDBHSA-N 1 0 409.555 3.771 20 30 HHEDRO C=CCCOCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000460545687 982332390 /nfs/dbraw/zinc/33/23/90/982332390.db2.gz IUGWKMJZVWSVRE-UHFFFAOYSA-N 1 0 424.383 3.648 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460555314 982341694 /nfs/dbraw/zinc/34/16/94/982341694.db2.gz SYXDMJACKFFISJ-MOPGFXCFSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000460562798 982348384 /nfs/dbraw/zinc/34/83/84/982348384.db2.gz IGOFFYGDOCJNDM-GOTSBHOMSA-N 1 0 422.621 3.612 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460580477 982364847 /nfs/dbraw/zinc/36/48/47/982364847.db2.gz WFSCKUQNFPIVQU-WMLDXEAASA-N 1 0 421.387 3.778 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)[C@@H](C)C1 ZINC000460631929 982409130 /nfs/dbraw/zinc/40/91/30/982409130.db2.gz UFXUSQKUMRLDNE-RXVVDRJESA-N 1 0 410.566 3.551 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2cccc(C)n2)c1C#N ZINC000437895352 982445126 /nfs/dbraw/zinc/44/51/26/982445126.db2.gz ISXQEHLIRVLITK-UHFFFAOYSA-N 1 0 405.502 3.782 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000437899975 982448955 /nfs/dbraw/zinc/44/89/55/982448955.db2.gz WHEWTZRTFHXBDR-FQEVSTJZSA-N 1 0 406.530 3.588 20 30 HHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCOCC)CC1 ZINC000460720974 982476376 /nfs/dbraw/zinc/47/63/76/982476376.db2.gz QNULTQTYITZKDT-UHFFFAOYSA-N 1 0 410.566 3.554 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460800357 982552462 /nfs/dbraw/zinc/55/24/62/982552462.db2.gz DGQSDYPMHQKIAL-UHFFFAOYSA-N 1 0 420.561 3.760 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000438073243 982572083 /nfs/dbraw/zinc/57/20/83/982572083.db2.gz KSUSVTHCCBYDOM-AFARHQOCSA-N 1 0 406.505 3.861 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000438184915 982638855 /nfs/dbraw/zinc/63/88/55/982638855.db2.gz YKJLKEFJVIDEDG-IBGZPJMESA-N 1 0 404.470 3.837 20 30 HHEDRO CC[NH+](CC)CCOc1cc(NC(=O)NCc2cc(C#N)ccc2F)ccc1OC ZINC000438215338 982657569 /nfs/dbraw/zinc/65/75/69/982657569.db2.gz NOAGYAVFSZLOQB-UHFFFAOYSA-N 1 0 414.481 3.748 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460952001 982685608 /nfs/dbraw/zinc/68/56/08/982685608.db2.gz NLVNOUHWPDNPPH-OALUTQOASA-N 1 0 413.566 3.751 20 30 HHEDRO CC[NH+](CC)[C@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438626496 982947046 /nfs/dbraw/zinc/94/70/46/982947046.db2.gz SJMYSXWDTPWJPI-HRTMPFAESA-N 1 0 406.530 3.843 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000438627804 982948172 /nfs/dbraw/zinc/94/81/72/982948172.db2.gz BHTARRMFHDGUQM-RDTXWAMCSA-N 1 0 412.456 3.836 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000438645578 982963669 /nfs/dbraw/zinc/96/36/69/982963669.db2.gz CWZTYBGUCMOUMU-UHFFFAOYSA-N 1 0 420.513 3.561 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000438657819 982975612 /nfs/dbraw/zinc/97/56/12/982975612.db2.gz XPIUUEBLHVMBEH-UHFFFAOYSA-N 1 0 412.465 3.722 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000438666882 982985674 /nfs/dbraw/zinc/98/56/74/982985674.db2.gz AILXGMRHQOLKIA-UHFFFAOYSA-N 1 0 404.514 3.703 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H](C[NH+](C)C)C3)sc2C1 ZINC000461364050 983041216 /nfs/dbraw/zinc/04/12/16/983041216.db2.gz SPYMQYDWAGWVNO-DLBZAZTESA-N 1 0 416.635 3.983 20 30 HHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461484394 983139935 /nfs/dbraw/zinc/13/99/35/983139935.db2.gz FPKFDKWAYODSOG-FXAWDEMLSA-N 1 0 418.570 3.990 20 30 HHEDRO N#Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1Cl ZINC000438893715 983140499 /nfs/dbraw/zinc/14/04/99/983140499.db2.gz LSSCJROFBGJEIL-UHFFFAOYSA-N 1 0 401.919 3.778 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000439636717 983479340 /nfs/dbraw/zinc/47/93/40/983479340.db2.gz DJPZATVFLBQCCS-STSQHVNTSA-N 1 0 406.530 3.585 20 30 HHEDRO CCCc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439669255 983493450 /nfs/dbraw/zinc/49/34/50/983493450.db2.gz WJAUOMUDNWAIIO-QZTJIDSGSA-N 1 0 408.550 3.938 20 30 HHEDRO CCCc1c(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439671741 983494479 /nfs/dbraw/zinc/49/44/79/983494479.db2.gz HVTXRIVZHWTMGE-QGZVFWFLSA-N 1 0 408.550 3.890 20 30 HHEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000440040907 983622274 /nfs/dbraw/zinc/62/22/74/983622274.db2.gz XVJVWQBFLCMFHA-OXJNMPFZSA-N 1 0 424.932 3.662 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000440182259 983673277 /nfs/dbraw/zinc/67/32/77/983673277.db2.gz DWSOGIPLHAZLTM-GOSISDBHSA-N 1 0 423.517 3.913 20 30 HHEDRO CCC[C@@H]1CN(CCOc2ccc(C#N)cc2)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000440567302 983798355 /nfs/dbraw/zinc/79/83/55/983798355.db2.gz WGUQQJYLFWGPNF-HSZRJFAPSA-N 1 0 418.541 3.674 20 30 HHEDRO CC(C)[C@H](CNc1c(C#N)cnc2c(Br)cccc21)[NH+]1CCN(C)CC1 ZINC000440673122 983846996 /nfs/dbraw/zinc/84/69/96/983846996.db2.gz DOIZIJYPPRVIGS-SFHVURJKSA-N 1 0 416.367 3.553 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441354352 984203547 /nfs/dbraw/zinc/20/35/47/984203547.db2.gz MXMIBPCMFCCRLA-PZJWPPBQSA-N 1 0 409.505 4.000 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441354347 984203750 /nfs/dbraw/zinc/20/37/50/984203750.db2.gz MXMIBPCMFCCRLA-FPOVZHCZSA-N 1 0 409.505 4.000 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@]3(CO)CCOc4ccccc43)c2)c1 ZINC000441360331 984207954 /nfs/dbraw/zinc/20/79/54/984207954.db2.gz RSMCBAWXFZPCLO-VWLOTQADSA-N 1 0 400.478 3.897 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441399347 984230710 /nfs/dbraw/zinc/23/07/10/984230710.db2.gz DTAGRPOSXLQDHA-DBXWQHBBSA-N 1 0 412.603 3.826 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CCC(C[NH+](C)C)CC2)cc1C ZINC000441612779 984355601 /nfs/dbraw/zinc/35/56/01/984355601.db2.gz SBPSBLKDLAAEHD-UHFFFAOYSA-N 1 0 407.562 3.931 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000441766963 984440165 /nfs/dbraw/zinc/44/01/65/984440165.db2.gz OGYUSSLQDMMTNV-GOSISDBHSA-N 1 0 423.513 3.549 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000441861795 984505383 /nfs/dbraw/zinc/50/53/83/984505383.db2.gz JEPSQOJGCYNQCG-UHFFFAOYSA-N 1 0 423.557 3.750 20 30 HHEDRO COC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000461728129 984743307 /nfs/dbraw/zinc/74/33/07/984743307.db2.gz HGJTTWJLUZAXDL-NRFANRHFSA-N 1 0 414.937 3.673 20 30 HHEDRO N#Cc1ccc(OC2CN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)cc1 ZINC000461977994 984961541 /nfs/dbraw/zinc/96/15/41/984961541.db2.gz PZLRQNKNJVYIKV-UHFFFAOYSA-N 1 0 404.514 3.882 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000462130130 985101246 /nfs/dbraw/zinc/10/12/46/985101246.db2.gz IIDTYCXETUQIGP-MRXNPFEDSA-N 1 0 405.502 3.516 20 30 HHEDRO CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C1=O ZINC000442798692 985219523 /nfs/dbraw/zinc/21/95/23/985219523.db2.gz YTRSXWMSAHHWLT-WOJBJXKFSA-N 1 0 413.562 3.545 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1Cl ZINC000442995805 985325542 /nfs/dbraw/zinc/32/55/42/985325542.db2.gz CJFAVNKVYNFFQU-KRWDZBQOSA-N 1 0 416.953 3.592 20 30 HHEDRO C[C@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000462469134 985427558 /nfs/dbraw/zinc/42/75/58/985427558.db2.gz QLVNDJJDVNCNHL-OAHLLOKOSA-N 1 0 414.600 3.877 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1)CC(C)C ZINC000462479101 985436163 /nfs/dbraw/zinc/43/61/63/985436163.db2.gz KZCRXSWTYUSIDR-UHFFFAOYSA-N 1 0 400.567 3.856 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000462807403 985738795 /nfs/dbraw/zinc/73/87/95/985738795.db2.gz AYKMQOXFIHZJLH-BTYIYWSLSA-N 1 0 406.555 3.803 20 30 HHEDRO CC(C)(CCC#N)C[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000462832144 985754460 /nfs/dbraw/zinc/75/44/60/985754460.db2.gz KKUGHOBNVXEOSH-DEOSSOPVSA-N 1 0 418.585 3.992 20 30 HHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c(C)c2)CC1 ZINC000468254118 985953836 /nfs/dbraw/zinc/95/38/36/985953836.db2.gz HFEGXPWXCMSCTI-UHFFFAOYSA-N 1 0 415.497 3.916 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000463017919 985974965 /nfs/dbraw/zinc/97/49/65/985974965.db2.gz YFUDWWKDUDBJPG-YADARESESA-N 1 0 418.541 3.632 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000443836249 986034433 /nfs/dbraw/zinc/03/44/33/986034433.db2.gz GSWQNOLEBDUAQU-UWJYYQICSA-N 1 0 406.530 3.542 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443868209 986069927 /nfs/dbraw/zinc/06/99/27/986069927.db2.gz LXZDIVLHTGUOBJ-UHFFFAOYSA-N 1 0 420.391 3.689 20 30 HHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)c1cccc(Cl)c1 ZINC000463214343 986186058 /nfs/dbraw/zinc/18/60/58/986186058.db2.gz PKUFGKRJOVQGSO-NJDAHSKKSA-N 1 0 403.954 3.992 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000463217741 986189142 /nfs/dbraw/zinc/18/91/42/986189142.db2.gz GEHQNPIVSFHNKG-YSFYHYPLSA-N 1 0 403.563 3.569 20 30 HHEDRO Cc1cc(C[NH2+][C@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)ccc1C#N ZINC000443999126 986197736 /nfs/dbraw/zinc/19/77/36/986197736.db2.gz BCHVQJXZMHXAJY-VXKWHMMOSA-N 1 0 419.525 3.640 20 30 HHEDRO N#CCCCn1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000444030115 986225343 /nfs/dbraw/zinc/22/53/43/986225343.db2.gz JWFFMNDAJCYBTJ-UHFFFAOYSA-N 1 0 401.514 3.734 20 30 HHEDRO C=CCN1CCC([NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463285740 986252367 /nfs/dbraw/zinc/25/23/67/986252367.db2.gz GYKBDTVWCMJABX-UHFFFAOYSA-N 1 0 403.162 3.534 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000444140438 986328128 /nfs/dbraw/zinc/32/81/28/986328128.db2.gz MXHQQNMJOFWGOV-UHFFFAOYSA-N 1 0 404.514 3.815 20 30 HHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(C)(C)C ZINC000463374123 986340399 /nfs/dbraw/zinc/34/03/99/986340399.db2.gz ZDEYVLNSPNICLS-QGZVFWFLSA-N 1 0 400.567 3.724 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](COCc3ccccc3)C2)sc2c1CCC2 ZINC000444170805 986347367 /nfs/dbraw/zinc/34/73/67/986347367.db2.gz VDQFDMPMFRMATP-SFHVURJKSA-N 1 0 409.555 3.976 20 30 HHEDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444244115 986436768 /nfs/dbraw/zinc/43/67/68/986436768.db2.gz PJKLKQBWDYJFIV-KRWDZBQOSA-N 1 0 418.459 3.745 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463506347 986481495 /nfs/dbraw/zinc/48/14/95/986481495.db2.gz JNOBVMAADDAIQS-MSOLQXFVSA-N 1 0 401.432 3.669 20 30 HHEDRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCCC1)C(=O)NC1(C#N)CCC1 ZINC000468802436 986510891 /nfs/dbraw/zinc/51/08/91/986510891.db2.gz CGTZCGXGXSQIIT-HNNXBMFYSA-N 1 0 404.352 3.801 20 30 HHEDRO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468898046 986605153 /nfs/dbraw/zinc/60/51/53/986605153.db2.gz HEYLDAFEPZAOPJ-LAUBAEHRSA-N 1 0 400.482 3.854 20 30 HHEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469009854 986715432 /nfs/dbraw/zinc/71/54/32/986715432.db2.gz OJVBLQNECLRKCY-QZTJIDSGSA-N 1 0 407.514 3.876 20 30 HHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469022532 986731018 /nfs/dbraw/zinc/73/10/18/986731018.db2.gz NGMWLSGVGCVFGK-FQEVSTJZSA-N 1 0 400.482 3.807 20 30 HHEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(c2ccccc2)CC1 ZINC000444674833 986858226 /nfs/dbraw/zinc/85/82/26/986858226.db2.gz LPKAKKZAWZZZNR-UHFFFAOYSA-N 1 0 400.444 3.837 20 30 HHEDRO COc1ccc(C[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000469151903 986875141 /nfs/dbraw/zinc/87/51/41/986875141.db2.gz WBDVLILIFKSPEK-JTSKRJEESA-N 1 0 407.514 3.528 20 30 HHEDRO C[C@@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469158546 986883298 /nfs/dbraw/zinc/88/32/98/986883298.db2.gz VWEGWWNYSMGXRN-GOSISDBHSA-N 1 0 400.482 3.950 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444774328 986933448 /nfs/dbraw/zinc/93/34/48/986933448.db2.gz IOTWISCPTFCZCX-JQJXBVGUSA-N 1 0 411.590 3.623 20 30 HHEDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1(C)C ZINC000444794404 986948818 /nfs/dbraw/zinc/94/88/18/986948818.db2.gz JTRVLXRHWLHZDG-ZCYQVOJMSA-N 1 0 424.541 3.802 20 30 HHEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H](O)COc1ccccc1 ZINC000444812406 986965209 /nfs/dbraw/zinc/96/52/09/986965209.db2.gz KZQDTSZSRUWICJ-IBGZPJMESA-N 1 0 415.921 3.691 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(OC)c(F)c2)CCOCC1 ZINC000444817975 986971241 /nfs/dbraw/zinc/97/12/41/986971241.db2.gz WCAXZFQDFGFROY-FQEVSTJZSA-N 1 0 415.505 3.598 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000444820151 986974133 /nfs/dbraw/zinc/97/41/33/986974133.db2.gz UTPMIGXMDDURGR-QGZVFWFLSA-N 1 0 415.607 3.761 20 30 HHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000469255117 986974431 /nfs/dbraw/zinc/97/44/31/986974431.db2.gz NXGSRDFIKJLDTL-ACJLOTCBSA-N 1 0 414.303 3.785 20 30 HHEDRO CC(C)(C)c1ccc([C@H](C#N)NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000469297393 987013587 /nfs/dbraw/zinc/01/35/87/987013587.db2.gz VMBBVUXDMJPHNL-QHCPKHFHSA-N 1 0 404.558 3.877 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1 ZINC000469429446 987116444 /nfs/dbraw/zinc/11/64/44/987116444.db2.gz DHRISEGSVYHEJG-UGKGYDQZSA-N 1 0 410.562 3.812 20 30 HHEDRO CCO[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000445000931 987130519 /nfs/dbraw/zinc/13/05/19/987130519.db2.gz QWILANWBWDBMJH-HSZRJFAPSA-N 1 0 406.530 3.553 20 30 HHEDRO CN1CCC(CNC(=O)c2cn(CCCC#N)c3ccccc23)([NH+]2CCCCC2)CC1 ZINC000469491240 987172018 /nfs/dbraw/zinc/17/20/18/987172018.db2.gz DHPRIVMCBMGYQE-UHFFFAOYSA-N 1 0 421.589 3.625 20 30 HHEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000469772693 987424187 /nfs/dbraw/zinc/42/41/87/987424187.db2.gz PBGMBVOPKMOSJB-RTBURBONSA-N 1 0 406.596 3.606 20 30 HHEDRO FC(F)(F)c1ccc(O[C@H]2CC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)nc1 ZINC000469786517 987432018 /nfs/dbraw/zinc/43/20/18/987432018.db2.gz OEBCDDFCLQSYDC-NSHDSACASA-N 1 0 408.289 3.768 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)C1 ZINC000469982914 987599493 /nfs/dbraw/zinc/59/94/93/987599493.db2.gz FLCQEFQACRCALF-QHCPKHFHSA-N 1 0 404.558 3.596 20 30 HHEDRO CS[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H]1[NH+]1CCCC1 ZINC000445600194 987669781 /nfs/dbraw/zinc/66/97/81/987669781.db2.gz IRJDXPALHUTGQF-ZWKOTPCHSA-N 1 0 404.486 3.724 20 30 HHEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000463922746 988031529 /nfs/dbraw/zinc/03/15/29/988031529.db2.gz RFPBMIRSHWZYDB-PGRDOPGGSA-N 1 0 409.530 3.586 20 30 HHEDRO N#CC1(NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000464160535 988282562 /nfs/dbraw/zinc/28/25/62/988282562.db2.gz QBSDBFYXVKCZRW-ROUUACIJSA-N 1 0 413.443 3.882 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)CC2)c1 ZINC000470552730 988565613 /nfs/dbraw/zinc/56/56/13/988565613.db2.gz ZQKCTEIAFVBGKL-DQEYMECFSA-N 1 0 416.569 3.806 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000470758399 988800327 /nfs/dbraw/zinc/80/03/27/988800327.db2.gz YYDVTLCVOTVCRB-NHCUHLMSSA-N 1 0 406.555 3.891 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000470932896 989002890 /nfs/dbraw/zinc/00/28/90/989002890.db2.gz PISTXMUWMBCXEO-DEOSSOPVSA-N 1 0 400.526 3.933 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470967323 989031549 /nfs/dbraw/zinc/03/15/49/989031549.db2.gz KHPHTGPIRHIZQC-DNQXCXABSA-N 1 0 400.526 3.611 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000470980375 989044942 /nfs/dbraw/zinc/04/49/42/989044942.db2.gz XYCICTMDOGIIGW-CTUHWIOQSA-N 1 0 400.526 3.752 20 30 HHEDRO COc1ccc(NC(=O)CC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000470991752 989056207 /nfs/dbraw/zinc/05/62/07/989056207.db2.gz FLPNKGOHFZGPRQ-NRFANRHFSA-N 1 0 412.921 3.560 20 30 HHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3C#N)c(OCC)c2)CC1 ZINC000471170456 989296721 /nfs/dbraw/zinc/29/67/21/989296721.db2.gz TYQOOVZUJUSRRJ-UHFFFAOYSA-N 1 0 422.529 3.506 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000465034455 989358818 /nfs/dbraw/zinc/35/88/18/989358818.db2.gz UDKVSBMDWFUQSI-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)[C@H](C)C1 ZINC000471228046 989371957 /nfs/dbraw/zinc/37/19/57/989371957.db2.gz RKYKNUKUEBONKU-WZONZLPQSA-N 1 0 421.589 3.626 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(N2C(=O)CCCC2=O)c1)C(C)C ZINC000471466441 989658555 /nfs/dbraw/zinc/65/85/55/989658555.db2.gz WRABCOAAXIQZMS-HXUWFJFHSA-N 1 0 412.534 3.550 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000471539653 989739049 /nfs/dbraw/zinc/73/90/49/989739049.db2.gz GXXJRMOLKFVULY-QHCPKHFHSA-N 1 0 421.541 3.710 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)c2)CC1 ZINC000471637757 989844336 /nfs/dbraw/zinc/84/43/36/989844336.db2.gz ZFXVXWPXRQVFKT-QHCPKHFHSA-N 1 0 406.530 3.742 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000465521415 989874782 /nfs/dbraw/zinc/87/47/82/989874782.db2.gz HFQJFMSGGCUFQE-FQEVSTJZSA-N 1 0 400.885 3.987 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NCCOc3ccc(C#N)cc3)cc2)CC1 ZINC000465557887 989921977 /nfs/dbraw/zinc/92/19/77/989921977.db2.gz KLHQVHQVLKDNSP-UHFFFAOYSA-N 1 0 406.530 3.668 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471747767 989942535 /nfs/dbraw/zinc/94/25/35/989942535.db2.gz NBDXEZZFRYNYKV-CYFREDJKSA-N 1 0 400.526 3.789 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471747988 989943630 /nfs/dbraw/zinc/94/36/30/989943630.db2.gz GVVDPLICGQGHBM-CYFREDJKSA-N 1 0 400.526 3.789 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 ZINC000471797831 989982425 /nfs/dbraw/zinc/98/24/25/989982425.db2.gz JLKVBWQAWNXLAP-HSZRJFAPSA-N 1 0 419.573 3.636 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@@H](C)C1 ZINC000466021636 991188979 /nfs/dbraw/zinc/18/89/79/991188979.db2.gz VVINALUHNNOEKZ-XXTHSBEZSA-N 1 0 412.578 3.605 20 30 HHEDRO Cc1ccc(NC(=O)CSCc2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000466236406 991463949 /nfs/dbraw/zinc/46/39/49/991463949.db2.gz BATWHPDMBQJLKS-UHFFFAOYSA-N 1 0 410.543 3.629 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466522587 991816010 /nfs/dbraw/zinc/81/60/10/991816010.db2.gz NLRWJGIAKLTJCP-SIKLNZKXSA-N 1 0 418.541 3.774 20 30 HHEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ncccc3OCCCC#N)c(C)c2)CC1 ZINC000466610722 991927664 /nfs/dbraw/zinc/92/76/64/991927664.db2.gz REDHOUPCOQMQAB-UHFFFAOYSA-N 1 0 422.533 3.859 20 30 HHEDRO C[C@@H]1CCN(C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466614947 991931294 /nfs/dbraw/zinc/93/12/94/991931294.db2.gz ZPZNNDKHOIPSNN-LJQANCHMSA-N 1 0 407.518 3.892 20 30 HHEDRO COc1cccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+]2CCCC2)c1 ZINC000466626848 991942362 /nfs/dbraw/zinc/94/23/62/991942362.db2.gz KGMYMGZNNGBBKT-FQEVSTJZSA-N 1 0 423.517 3.731 20 30 HHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC000467123504 992438598 /nfs/dbraw/zinc/43/85/98/992438598.db2.gz ZDJDWYGKKMERAG-IBGZPJMESA-N 1 0 424.545 3.661 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467140461 992456428 /nfs/dbraw/zinc/45/64/28/992456428.db2.gz RMMYQTZOBPARDJ-MAUKXSAKSA-N 1 0 419.497 3.683 20 30 HHEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC2 ZINC000467211342 992536216 /nfs/dbraw/zinc/53/62/16/992536216.db2.gz LLLHLGSMKMUOIF-OTWHNJEPSA-N 1 0 400.592 3.824 20 30 HHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000467221160 992544892 /nfs/dbraw/zinc/54/48/92/992544892.db2.gz ZWZJOTOOLPGLPC-UHFFFAOYSA-N 1 0 400.486 3.502 20 30 HHEDRO C=CCC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000467293891 992618850 /nfs/dbraw/zinc/61/88/50/992618850.db2.gz QJKZBHHGRVZLEO-SFHVURJKSA-N 1 0 413.543 3.951 20 30 HHEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000467361822 992680440 /nfs/dbraw/zinc/68/04/40/992680440.db2.gz JUYQCWWLHKSUMQ-YWZLYKJASA-N 1 0 401.432 3.899 20 30 HHEDRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000467438935 992735648 /nfs/dbraw/zinc/73/56/48/992735648.db2.gz RKUKJSPHDNTQKJ-UHFFFAOYSA-N 1 0 414.314 3.606 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000467756109 993001088 /nfs/dbraw/zinc/00/10/88/993001088.db2.gz CSACTPMSNBANPB-YJBOKZPZSA-N 1 0 406.555 3.945 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000467824950 993057883 /nfs/dbraw/zinc/05/78/83/993057883.db2.gz CDBYZTYIHZKPNV-UHFFFAOYSA-N 1 0 408.546 3.654 20 30 HHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000472302257 993315544 /nfs/dbraw/zinc/31/55/44/993315544.db2.gz PZWWKCJJHPKHRK-QFIPXVFZSA-N 1 0 400.526 3.879 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)C2)n1 ZINC000472304462 993316967 /nfs/dbraw/zinc/31/69/67/993316967.db2.gz WAFVQVVMVXHIGC-NRFANRHFSA-N 1 0 403.530 3.713 20 30 HHEDRO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(C#N)cc1Br)CC2 ZINC000480735290 993600463 /nfs/dbraw/zinc/60/04/63/993600463.db2.gz POOLIXUDVLNUHM-UHFFFAOYSA-N 1 0 401.304 3.939 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3Br)CC2)cc1 ZINC000480749622 993615771 /nfs/dbraw/zinc/61/57/71/993615771.db2.gz OEYCWJYKOUXIMG-UHFFFAOYSA-N 1 0 409.331 3.900 20 30 HHEDRO C=CCC[C@H](O)C[NH+]1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000472773875 993714549 /nfs/dbraw/zinc/71/45/49/993714549.db2.gz GHJWQZPDVFAYOS-QAPCUYQASA-N 1 0 424.467 3.761 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000472842610 993776944 /nfs/dbraw/zinc/77/69/44/993776944.db2.gz UOHCAJDLGFRCRC-UHFFFAOYSA-N 1 0 423.582 3.779 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC1CC[NH+](C)CC1 ZINC000481142658 993977021 /nfs/dbraw/zinc/97/70/21/993977021.db2.gz WTNSSAMSWQCYDK-UHFFFAOYSA-N 1 0 412.559 3.849 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185182 994016672 /nfs/dbraw/zinc/01/66/72/994016672.db2.gz WDMKSKISEKVRPT-YGOYIFOWSA-N 1 0 402.542 3.554 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCSC4(CCOCC4)C3)sc2C1 ZINC000473178124 994044743 /nfs/dbraw/zinc/04/47/43/994044743.db2.gz ZGDYFHBMWQIBPP-OAHLLOKOSA-N 1 0 419.616 3.671 20 30 HHEDRO Cc1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000473234437 994085848 /nfs/dbraw/zinc/08/58/48/994085848.db2.gz MJSSMYDLGVWTIH-QFIPXVFZSA-N 1 0 415.541 3.718 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503782 994351568 /nfs/dbraw/zinc/35/15/68/994351568.db2.gz MULMWOPSUVCXTH-CPJSRVTESA-N 1 0 403.526 3.840 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481576798 994415265 /nfs/dbraw/zinc/41/52/65/994415265.db2.gz YATPLKKVTBSQSA-MRXNPFEDSA-N 1 0 411.468 3.804 20 30 HHEDRO N#Cc1ccc(C2(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000473571646 994439013 /nfs/dbraw/zinc/43/90/13/994439013.db2.gz VEWLJNNZMLTWNY-UHFFFAOYSA-N 1 0 422.960 3.572 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000481649666 994512965 /nfs/dbraw/zinc/51/29/65/994512965.db2.gz HBAKRVKTXFJFDN-LSQMVHIFSA-N 1 0 414.553 3.514 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000473793835 994718106 /nfs/dbraw/zinc/71/81/06/994718106.db2.gz HWYMWHMPZUZLBY-BULFRSBZSA-N 1 0 419.525 3.893 20 30 HHEDRO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C(N)=O)cc1 ZINC000473794417 994718761 /nfs/dbraw/zinc/71/87/61/994718761.db2.gz LAHUKUVGRWSMRA-VQIMIIECSA-N 1 0 403.313 3.650 20 30 HHEDRO CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474035588 995025721 /nfs/dbraw/zinc/02/57/21/995025721.db2.gz UKWNEPWNWPZUDH-UGKGYDQZSA-N 1 0 406.530 3.804 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NC2CC[NH+](CCCC)CC2)nnc1-c1ccco1 ZINC000482164727 995122117 /nfs/dbraw/zinc/12/21/17/995122117.db2.gz PXTASCYHAGDUJV-UHFFFAOYSA-N 1 0 417.579 3.587 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000474156283 995140361 /nfs/dbraw/zinc/14/03/61/995140361.db2.gz DULDPBMZGGLIKC-GOTSBHOMSA-N 1 0 401.510 3.693 20 30 HHEDRO COC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000474239903 995237745 /nfs/dbraw/zinc/23/77/45/995237745.db2.gz MMQCGPIHMUQNEN-UHFFFAOYSA-N 1 0 403.548 3.635 20 30 HHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000474262057 995260724 /nfs/dbraw/zinc/26/07/24/995260724.db2.gz DDOGOQSSUJHUFU-MRXNPFEDSA-N 1 0 403.452 3.900 20 30 HHEDRO CCCc1c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnn1-c1cccc(C#N)c1 ZINC000482425516 995417428 /nfs/dbraw/zinc/41/74/28/995417428.db2.gz VAVPECVCPUSUNT-UFRUDQCGSA-N 1 0 406.534 3.785 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)nnc1-c1ccco1 ZINC000482427880 995420137 /nfs/dbraw/zinc/42/01/37/995420137.db2.gz REABRQFMZMZEKK-KRWDZBQOSA-N 1 0 417.579 3.539 20 30 HHEDRO C=CCN1CCC([NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000482643915 995638692 /nfs/dbraw/zinc/63/86/92/995638692.db2.gz BJUPCHBIDXZDQO-QGZVFWFLSA-N 1 0 412.315 3.745 20 30 HHEDRO CC1(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000482721046 995706737 /nfs/dbraw/zinc/70/67/37/995706737.db2.gz SLKIMXLUNPFYQK-DEOSSOPVSA-N 1 0 416.569 3.698 20 30 HHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)n1-c1nccs1 ZINC000482739380 995716945 /nfs/dbraw/zinc/71/69/45/995716945.db2.gz ZBXYTHDKNGUGHA-UHFFFAOYSA-N 1 0 419.554 3.839 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000482837971 995782974 /nfs/dbraw/zinc/78/29/74/995782974.db2.gz QHBZDISKYDMZNC-UHFFFAOYSA-N 1 0 407.514 3.559 20 30 HHEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000474940904 995814740 /nfs/dbraw/zinc/81/47/40/995814740.db2.gz JBHNIVIKSAKEEQ-CBGDNZLLSA-N 1 0 407.514 3.853 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(Br)cn2)c(OC)c1 ZINC000482954920 995878814 /nfs/dbraw/zinc/87/88/14/995878814.db2.gz DWXRBBWKVCQUCU-PBHICJAKSA-N 1 0 421.335 3.672 20 30 HHEDRO CC[C@H]1CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@]2(CCOC2)O1 ZINC000483138344 995997577 /nfs/dbraw/zinc/99/75/77/995997577.db2.gz BKESOKLGMQMJAH-WIOPSUGQSA-N 1 0 422.525 3.916 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475218739 996003724 /nfs/dbraw/zinc/00/37/24/996003724.db2.gz ZHBASXHAVBLIMB-XMMPIXPASA-N 1 0 406.505 3.895 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000483178594 996020995 /nfs/dbraw/zinc/02/09/95/996020995.db2.gz MSBCXIWFWHEOGE-PMOQBDJRSA-N 1 0 405.542 3.762 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000483301946 996088131 /nfs/dbraw/zinc/08/81/31/996088131.db2.gz YTXASTIAZZWNNZ-QFIPXVFZSA-N 1 0 420.548 3.782 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)c2)cc1 ZINC000475453221 996149921 /nfs/dbraw/zinc/14/99/21/996149921.db2.gz XENJUZSYULGQLC-QHCPKHFHSA-N 1 0 405.498 3.677 20 30 HHEDRO C[N@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccc(F)cc1 ZINC000483450423 996188577 /nfs/dbraw/zinc/18/85/77/996188577.db2.gz ACHAAQFJHREEHA-UHFFFAOYSA-N 1 0 424.398 3.892 20 30 HHEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475560709 996219573 /nfs/dbraw/zinc/21/95/73/996219573.db2.gz OXHNZHOYFWSVDG-UHFFFAOYSA-N 1 0 400.320 3.789 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c1C ZINC000475669903 996289570 /nfs/dbraw/zinc/28/95/70/996289570.db2.gz GEPKXXZCCTXRMB-RUZDIDTESA-N 1 0 405.542 3.620 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000483765030 996373198 /nfs/dbraw/zinc/37/31/98/996373198.db2.gz QRJYNVWTJNXFPZ-OAHLLOKOSA-N 1 0 410.356 3.556 20 30 HHEDRO CCCOc1cc(OC)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000475821230 996392952 /nfs/dbraw/zinc/39/29/52/996392952.db2.gz ZRARCIXACWKJSN-UHFFFAOYSA-N 1 0 407.514 3.772 20 30 HHEDRO C=CC[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)CC1CCCCC1 ZINC000484545901 996878490 /nfs/dbraw/zinc/87/84/90/996878490.db2.gz TUVZWQHWWZQGSB-UHFFFAOYSA-N 1 0 411.590 3.784 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000476417978 996882128 /nfs/dbraw/zinc/88/21/28/996882128.db2.gz YMHHNZPUJUOEAW-INIZCTEOSA-N 1 0 409.983 3.877 20 30 HHEDRO CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000476468937 996944907 /nfs/dbraw/zinc/94/49/07/996944907.db2.gz FJZWAWOINFIJBK-PKTZIBPZSA-N 1 0 410.606 3.897 20 30 HHEDRO CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000476469712 996946639 /nfs/dbraw/zinc/94/66/39/996946639.db2.gz HEOPGGGSPQINLA-QPTUXGOLSA-N 1 0 410.606 3.870 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484669080 997008944 /nfs/dbraw/zinc/00/89/44/997008944.db2.gz JRBVVQZYMNPNFE-XKPAQYLNSA-N 1 0 414.638 3.653 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000476597978 997104124 /nfs/dbraw/zinc/10/41/24/997104124.db2.gz OEQXRPZTXAMTSH-LZBANZJXSA-N 1 0 406.530 3.850 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cn2)CC1 ZINC000484947413 997325582 /nfs/dbraw/zinc/32/55/82/997325582.db2.gz VBDTVVDSDBHQJG-UHFFFAOYSA-N 1 0 413.481 3.750 20 30 HHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000485017890 997382584 /nfs/dbraw/zinc/38/25/84/997382584.db2.gz ZHGUVHXFQJSHLK-UHFFFAOYSA-N 1 0 418.423 3.826 20 30 HHEDRO C[NH+](C)CCOc1cc(CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)ccn1 ZINC000477024782 997656655 /nfs/dbraw/zinc/65/66/55/997656655.db2.gz BNGZQQSUIOSJSS-UHFFFAOYSA-N 1 0 415.497 3.567 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C#N ZINC000485343438 997762720 /nfs/dbraw/zinc/76/27/20/997762720.db2.gz FQGDTLKNSBYKNU-KNQAVFIVSA-N 1 0 411.594 3.836 20 30 HHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2NC1=O ZINC000485350434 997771614 /nfs/dbraw/zinc/77/16/14/997771614.db2.gz SADQESXNNYAHFL-RVHYNSKXSA-N 1 0 418.497 3.514 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000485361488 997786750 /nfs/dbraw/zinc/78/67/50/997786750.db2.gz NORVFVCWLCRXMT-VSKRKVRLSA-N 1 0 420.582 3.712 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000477131853 997787310 /nfs/dbraw/zinc/78/73/10/997787310.db2.gz HMSJUDJVWKJWOS-OAQYLSRUSA-N 1 0 422.529 3.564 20 30 HHEDRO CCOc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000485377896 997804427 /nfs/dbraw/zinc/80/44/27/997804427.db2.gz BWSGOCBIGITAMM-GOSISDBHSA-N 1 0 415.440 3.844 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)CNc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477485256 998206010 /nfs/dbraw/zinc/20/60/10/998206010.db2.gz OUAUGCWMYDYRGB-HRAATJIYSA-N 1 0 400.885 3.572 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000477577838 998295838 /nfs/dbraw/zinc/29/58/38/998295838.db2.gz VBDOURASAKYTDK-QFIPXVFZSA-N 1 0 408.546 3.843 20 30 HHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000477633735 998350965 /nfs/dbraw/zinc/35/09/65/998350965.db2.gz QZMGAYGQKCBRCU-HXUWFJFHSA-N 1 0 403.482 3.968 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000485944551 998388358 /nfs/dbraw/zinc/38/83/58/998388358.db2.gz MFJCFBKBQPLZGI-SFHVURJKSA-N 1 0 424.570 3.992 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477685866 998398066 /nfs/dbraw/zinc/39/80/66/998398066.db2.gz BCSHPROTQCHGKA-OAQYLSRUSA-N 1 0 418.541 3.593 20 30 HHEDRO CCN(C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000477725110 998453371 /nfs/dbraw/zinc/45/33/71/998453371.db2.gz NQUZTELDGPAMET-QZTJIDSGSA-N 1 0 410.484 3.528 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3Oc3ccccc3C#N)CC2)CCO1 ZINC000477734212 998469846 /nfs/dbraw/zinc/46/98/46/998469846.db2.gz OPHUGPGEWJGFAA-GOSISDBHSA-N 1 0 405.498 3.676 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000478058178 998741284 /nfs/dbraw/zinc/74/12/84/998741284.db2.gz KSQVPXLSDRVYTO-PXNSSMCTSA-N 1 0 400.592 3.702 20 30 HHEDRO C[NH+](C)Cc1cc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)ccc1F ZINC000478380187 998927735 /nfs/dbraw/zinc/92/77/35/998927735.db2.gz QXPIWMCFTFEHGI-UHFFFAOYSA-N 1 0 407.411 3.757 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486828258 998959543 /nfs/dbraw/zinc/95/95/43/998959543.db2.gz UARQLPWPEHWMPU-TYBLODHISA-N 1 0 423.557 3.544 20 30 HHEDRO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1Oc1cccnc1 ZINC000486895978 998995806 /nfs/dbraw/zinc/99/58/06/998995806.db2.gz PSCVHWKIWRGOAO-HSZRJFAPSA-N 1 0 412.493 3.945 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000478563608 999026477 /nfs/dbraw/zinc/02/64/77/999026477.db2.gz QZXMOBXGMUCWBH-QPPBQGQZSA-N 1 0 402.542 3.751 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)cc1 ZINC000478962595 999225010 /nfs/dbraw/zinc/22/50/10/999225010.db2.gz QVYRTFPHJAMRMS-NRFANRHFSA-N 1 0 412.896 3.715 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000487723469 999266403 /nfs/dbraw/zinc/26/64/03/999266403.db2.gz CJAAHBUNLMRDBO-UHFFFAOYSA-N 1 0 423.286 3.551 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000479157758 999301405 /nfs/dbraw/zinc/30/14/05/999301405.db2.gz DUCDVOWPRZPCTE-UHFFFAOYSA-N 1 0 410.562 3.908 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000487917027 999314650 /nfs/dbraw/zinc/31/46/50/999314650.db2.gz QZRWGULRIYXYMT-NRFANRHFSA-N 1 0 400.563 3.917 20 30 HHEDRO N#Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000487932017 999319839 /nfs/dbraw/zinc/31/98/39/999319839.db2.gz GFOGDKXYBYTNAF-KDOFPFPSSA-N 1 0 403.324 3.801 20 30 HHEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1-c1ccc(F)cc1 ZINC000479253001 999348186 /nfs/dbraw/zinc/34/81/86/999348186.db2.gz XBVYSACMYJHZEG-UHFFFAOYSA-N 1 0 417.488 3.608 20 30 HHEDRO N#CC1(NC(=O)c2csc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479276485 999360438 /nfs/dbraw/zinc/36/04/38/999360438.db2.gz KZEZAOVGCHVGKK-UHFFFAOYSA-N 1 0 404.333 3.799 20 30 HHEDRO CCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000479294636 999370498 /nfs/dbraw/zinc/37/04/98/999370498.db2.gz ZLGFKPCHGFRQPL-UHFFFAOYSA-N 1 0 407.514 3.772 20 30 HHEDRO N#CC1(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479303056 999375057 /nfs/dbraw/zinc/37/50/57/999375057.db2.gz AJVXBSQJPLKIDU-QHCPKHFHSA-N 1 0 419.525 3.533 20 30 HHEDRO CC(=O)c1ccc(OCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479350618 999398165 /nfs/dbraw/zinc/39/81/65/999398165.db2.gz VBAJRJKFAPPNNE-UHFFFAOYSA-N 1 0 419.525 3.723 20 30 HHEDRO COc1ccc2c(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)coc2c1 ZINC000479351234 999398421 /nfs/dbraw/zinc/39/84/21/999398421.db2.gz VSVDFPWUAKTECW-UHFFFAOYSA-N 1 0 403.482 3.658 20 30 HHEDRO CC[NH+](CC)CC1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000488309398 999433844 /nfs/dbraw/zinc/43/38/44/999433844.db2.gz DZLNOBCOKRKYSO-UHFFFAOYSA-N 1 0 404.986 3.949 20 30 HHEDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000479519489 999456978 /nfs/dbraw/zinc/45/69/78/999456978.db2.gz UCTMZQOFCYPALU-QZTJIDSGSA-N 1 0 409.555 3.939 20 30 HHEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476808 999500692 /nfs/dbraw/zinc/50/06/92/999500692.db2.gz MEJOOUOJZCLMGD-QRWLVFNGSA-N 1 0 417.538 3.837 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000488478161 999501081 /nfs/dbraw/zinc/50/10/81/999501081.db2.gz AXDDKMCRRBLOCX-KUHUBIRLSA-N 1 0 403.404 3.909 20 30 HHEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000488479823 999501994 /nfs/dbraw/zinc/50/19/94/999501994.db2.gz BUFGXGYFCWCTAK-IIBYNOLFSA-N 1 0 424.932 3.628 20 30 HHEDRO COc1ccc(C2CCC([NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000488481233 999502316 /nfs/dbraw/zinc/50/23/16/999502316.db2.gz SROUEYNWMUWOAO-JVPYDEADSA-N 1 0 403.526 3.984 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000488498071 999508304 /nfs/dbraw/zinc/50/83/04/999508304.db2.gz MXUDNYUCNMKHPL-QRWLVFNGSA-N 1 0 417.431 3.951 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000479630369 999509783 /nfs/dbraw/zinc/50/97/83/999509783.db2.gz AXORSBMDHXHKFG-IBGZPJMESA-N 1 0 421.566 3.894 20 30 HHEDRO C[C@@H](C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488546079 999523488 /nfs/dbraw/zinc/52/34/88/999523488.db2.gz QFPCAGALZYQIFB-YWZLYKJASA-N 1 0 412.331 3.815 20 30 HHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479687443 999537797 /nfs/dbraw/zinc/53/77/97/999537797.db2.gz FGESCPKVVNKIKE-FQEVSTJZSA-N 1 0 409.555 3.892 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000479834385 999617655 /nfs/dbraw/zinc/61/76/55/999617655.db2.gz BERLDAAJIOIKSH-IBGZPJMESA-N 1 0 424.570 3.945 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000479840739 999620323 /nfs/dbraw/zinc/62/03/23/999620323.db2.gz WWCXJEGWHWOXHM-NRFANRHFSA-N 1 0 407.514 3.678 20 30 HHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC000488836151 999622969 /nfs/dbraw/zinc/62/29/69/999622969.db2.gz ATHUUDSGHWVKKH-TZRRMPRUSA-N 1 0 420.557 3.645 20 30 HHEDRO COc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000480026630 999691976 /nfs/dbraw/zinc/69/19/76/999691976.db2.gz QYFZVOHEWUFRRS-XMMPIXPASA-N 1 0 415.541 3.894 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000480054066 999703565 /nfs/dbraw/zinc/70/35/65/999703565.db2.gz AUSYDBZCYCLOAQ-UHFFFAOYSA-N 1 0 419.978 3.684 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCC[NH+](C)C ZINC000480097105 999716127 /nfs/dbraw/zinc/71/61/27/999716127.db2.gz JVDRZFHXZLEYHK-UHFFFAOYSA-N 1 0 400.548 3.707 20 30 HHEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000480099948 999716823 /nfs/dbraw/zinc/71/68/23/999716823.db2.gz RGHYQAXGOYPAGV-UWJYYQICSA-N 1 0 417.517 3.569 20 30 HHEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480297313 999765328 /nfs/dbraw/zinc/76/53/28/999765328.db2.gz UGMXUKBMWHFYSI-BTYIYWSLSA-N 1 0 406.465 3.696 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c(-c2ccccc2)n1 ZINC000480481641 999808760 /nfs/dbraw/zinc/80/87/60/999808760.db2.gz YINFNBWPQBPJER-SFHVURJKSA-N 1 0 410.468 3.683 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489844315 999848256 /nfs/dbraw/zinc/84/82/56/999848256.db2.gz LHGFWYDKPHHPMR-HYBUGGRVSA-N 1 0 420.557 3.627 20 30 HHEDRO C=CCn1cccc1C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000489982574 999872906 /nfs/dbraw/zinc/87/29/06/999872906.db2.gz MQJZENJEZULZFD-UHFFFAOYSA-N 1 0 415.541 3.686 20 30 HHEDRO COc1cc(N[C@@H]2CCC[N@H+](CCOc3ccc(C#N)cc3OC)C2)cc(OC)c1 ZINC000490019699 999878793 /nfs/dbraw/zinc/87/87/93/999878793.db2.gz PNTKIYDAGXSVPB-GOSISDBHSA-N 1 0 411.502 3.539 20 30 HHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000490031703 999881379 /nfs/dbraw/zinc/88/13/79/999881379.db2.gz ORQLPKUJXSOBAO-HSZRJFAPSA-N 1 0 417.557 3.687 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000490097666 999892820 /nfs/dbraw/zinc/89/28/20/999892820.db2.gz AHKWNRUMSDEJGG-UHFFFAOYSA-N 1 0 424.570 3.704 20 30 HHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)[C@H]2C1 ZINC000490402187 999951872 /nfs/dbraw/zinc/95/18/72/999951872.db2.gz PIEUAKUBNNMYRD-XXBNENTESA-N 1 0 404.514 3.890 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 ZINC000490522484 999971778 /nfs/dbraw/zinc/97/17/78/999971778.db2.gz ZDOPLYAFGJAZPT-UHFFFAOYSA-N 1 0 409.412 3.917 20 30 HHEDRO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c(Cl)c1 ZINC000490523441 999971975 /nfs/dbraw/zinc/97/19/75/999971975.db2.gz ZBGTUIKMKYKSDQ-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000490525983 999972340 /nfs/dbraw/zinc/97/23/40/999972340.db2.gz FRAQWMXJCALSQS-RUZDIDTESA-N 1 0 421.541 3.897 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000490754334 1000001209 /nfs/dbraw/zinc/00/12/09/1000001209.db2.gz CMGJJUGKJKSFTL-TZIWHRDSSA-N 1 0 422.598 3.997 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000490754327 1000001212 /nfs/dbraw/zinc/00/12/12/1000001212.db2.gz CMGJJUGKJKSFTL-CTNGQTDRSA-N 1 0 422.598 3.997 20 30 HHEDRO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491115957 1000047311 /nfs/dbraw/zinc/04/73/11/1000047311.db2.gz ZNJSTVODVGANHB-HXUWFJFHSA-N 1 0 413.525 3.601 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491207779 1000055368 /nfs/dbraw/zinc/05/53/68/1000055368.db2.gz ZHAPIBFZOWYKTJ-UHFFFAOYSA-N 1 0 417.488 3.949 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491228604 1000056972 /nfs/dbraw/zinc/05/69/72/1000056972.db2.gz RFMNDWWQNDYVRF-UHFFFAOYSA-N 1 0 405.546 3.620 20 30 HHEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000491238177 1000057629 /nfs/dbraw/zinc/05/76/29/1000057629.db2.gz GDHSOGVCARKOKH-UHFFFAOYSA-N 1 0 401.514 3.683 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC000491821243 1000095708 /nfs/dbraw/zinc/09/57/08/1000095708.db2.gz KXGSTSAUADRHRU-UHFFFAOYSA-N 1 0 415.541 3.675 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)c1 ZINC000491954878 1000102080 /nfs/dbraw/zinc/10/20/80/1000102080.db2.gz JQOLRUDRFLVJKH-UHFFFAOYSA-N 1 0 402.494 3.686 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492492417 1000129507 /nfs/dbraw/zinc/12/95/07/1000129507.db2.gz WFHZBGMOFZQKHC-MRXNPFEDSA-N 1 0 419.451 3.874 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000493723596 1000187913 /nfs/dbraw/zinc/18/79/13/1000187913.db2.gz MBCQBSOTJYQRQG-UHFFFAOYSA-N 1 0 402.542 3.753 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(C#N)c(C)c1C ZINC000494000602 1000262012 /nfs/dbraw/zinc/26/20/12/1000262012.db2.gz SQAVIXZKTXIJNH-WIYYLYMNSA-N 1 0 408.571 3.750 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(F)c(N2CCOCC2)cc1F)C(C)C ZINC000494058283 1000287710 /nfs/dbraw/zinc/28/77/10/1000287710.db2.gz XSTMTEBESWLLEX-NRFANRHFSA-N 1 0 422.520 3.622 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000494068053 1000292299 /nfs/dbraw/zinc/29/22/99/1000292299.db2.gz DPIFODKYHLHVAB-LSTHTHJFSA-N 1 0 416.591 3.970 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000504741019 1000349867 /nfs/dbraw/zinc/34/98/67/1000349867.db2.gz JFIDSJFFPQXKIH-UHFFFAOYSA-N 1 0 416.525 3.654 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494470289 1000509497 /nfs/dbraw/zinc/50/94/97/1000509497.db2.gz KPTXEIYVEPETHC-SYURPWHHSA-N 1 0 405.832 3.937 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Br)cs1 ZINC000494483683 1000517237 /nfs/dbraw/zinc/51/72/37/1000517237.db2.gz ODLXLLHVENMDAB-BLLLJJGKSA-N 1 0 404.333 3.834 20 30 HHEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000494642650 1000585723 /nfs/dbraw/zinc/58/57/23/1000585723.db2.gz KDPACXURIHBSTJ-FQEVSTJZSA-N 1 0 422.554 3.657 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000494656199 1000591234 /nfs/dbraw/zinc/59/12/34/1000591234.db2.gz UKKZGWXWRZSCLY-RDJZCZTQSA-N 1 0 401.576 3.964 20 30 HHEDRO CCOc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000505204319 1000617285 /nfs/dbraw/zinc/61/72/85/1000617285.db2.gz NIHCRWMXMXEONC-GOSISDBHSA-N 1 0 424.545 3.800 20 30 HHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@H](C)C(C)C ZINC000495006380 1000774992 /nfs/dbraw/zinc/77/49/92/1000774992.db2.gz REYZYRUFXARHMU-QZTJIDSGSA-N 1 0 400.567 3.722 20 30 HHEDRO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000495055940 1000803133 /nfs/dbraw/zinc/80/31/33/1000803133.db2.gz ASRFHCJQCQNGBT-CEXWTWQISA-N 1 0 412.578 3.867 20 30 HHEDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000505496849 1000831108 /nfs/dbraw/zinc/83/11/08/1000831108.db2.gz UGVVVSGJPLRQEC-HXUWFJFHSA-N 1 0 405.527 3.681 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OCC ZINC000495131740 1000871066 /nfs/dbraw/zinc/87/10/66/1000871066.db2.gz ZBJKUPLRPVEEHF-FUHWJXTLSA-N 1 0 409.368 3.939 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(F)cc1C(=O)OC ZINC000505613858 1000935159 /nfs/dbraw/zinc/93/51/59/1000935159.db2.gz VBCNJPPUXXQMDW-UHFFFAOYSA-N 1 0 418.538 3.711 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000505622932 1000939209 /nfs/dbraw/zinc/93/92/09/1000939209.db2.gz QOYWDGDTYYAORT-KNQAVFIVSA-N 1 0 405.542 3.913 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000505731065 1000997383 /nfs/dbraw/zinc/99/73/83/1000997383.db2.gz HBCVIYUNQCZXQE-DHIUTWEWSA-N 1 0 417.509 3.621 20 30 HHEDRO Cn1nc(CCC[N@H+](C)CCC(=O)Nc2ccccc2C#N)cc1-c1ccc(F)cc1 ZINC000505784359 1001022158 /nfs/dbraw/zinc/02/21/58/1001022158.db2.gz PIIFCLRXTHOBIK-UHFFFAOYSA-N 1 0 419.504 3.991 20 30 HHEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000495576809 1001047259 /nfs/dbraw/zinc/04/72/59/1001047259.db2.gz JUDMYPAZUCQWPS-INIZCTEOSA-N 1 0 409.555 3.773 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000505905899 1001091446 /nfs/dbraw/zinc/09/14/46/1001091446.db2.gz JNIXVLNADRZMQS-FCHUYYIVSA-N 1 0 424.589 3.826 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000505905902 1001091863 /nfs/dbraw/zinc/09/18/63/1001091863.db2.gz JNIXVLNADRZMQS-YADHBBJMSA-N 1 0 424.589 3.826 20 30 HHEDRO C[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[NH+](C)C ZINC000496300452 1001155068 /nfs/dbraw/zinc/15/50/68/1001155068.db2.gz CAVIHMPCRJPXJT-LLVKDONJSA-N 1 0 411.453 3.696 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)c(F)c1 ZINC000506039708 1001183271 /nfs/dbraw/zinc/18/32/71/1001183271.db2.gz BHWSXEIZFJZISQ-UHFFFAOYSA-N 1 0 420.532 3.826 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1OC ZINC000496504348 1001187626 /nfs/dbraw/zinc/18/76/26/1001187626.db2.gz WDJJODPRWBFFDM-FQEVSTJZSA-N 1 0 410.514 3.836 20 30 HHEDRO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1C#N ZINC000496518217 1001189194 /nfs/dbraw/zinc/18/91/94/1001189194.db2.gz AZPNMNVXDURGNG-UHFFFAOYSA-N 1 0 402.420 3.629 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)c2)c1 ZINC000506244762 1001303066 /nfs/dbraw/zinc/30/30/66/1001303066.db2.gz DEMCIHLHNLISAO-UHFFFAOYSA-N 1 0 403.526 3.972 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000506270947 1001320521 /nfs/dbraw/zinc/32/05/21/1001320521.db2.gz WSQNBJBXECEEES-UHFFFAOYSA-N 1 0 403.526 3.972 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3c[nH]nc3-c3c(F)cccc3F)CC2)cc1 ZINC000506296961 1001337527 /nfs/dbraw/zinc/33/75/27/1001337527.db2.gz FUDPDENGSXRNLZ-UHFFFAOYSA-N 1 0 407.468 3.934 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506508292 1001444665 /nfs/dbraw/zinc/44/46/65/1001444665.db2.gz APWUDPOHJVGJGN-GOSISDBHSA-N 1 0 400.542 3.685 20 30 HHEDRO CC[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594055 1001451301 /nfs/dbraw/zinc/45/13/01/1001451301.db2.gz OVDKLPVZPIBPEA-QNHAZURESA-N 1 0 408.546 3.736 20 30 HHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000506527985 1001451725 /nfs/dbraw/zinc/45/17/25/1001451725.db2.gz QUCPDWWXTBWFQC-GOSISDBHSA-N 1 0 400.542 3.542 20 30 HHEDRO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617657 1001460379 /nfs/dbraw/zinc/46/03/79/1001460379.db2.gz HMVDMBPBUJUDSN-RXVVDRJESA-N 1 0 407.514 3.630 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000497619929 1001461424 /nfs/dbraw/zinc/46/14/24/1001461424.db2.gz YJHMXTUTORBLAL-UHFFFAOYSA-N 1 0 401.530 3.953 20 30 HHEDRO CCOc1cc(Cl)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000506572255 1001462053 /nfs/dbraw/zinc/46/20/53/1001462053.db2.gz FHTFGKHTLHAOQI-UHFFFAOYSA-N 1 0 414.937 3.884 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCOc3ccccc3Cl)CC2)cc1 ZINC000506589881 1001465646 /nfs/dbraw/zinc/46/56/46/1001465646.db2.gz HDIRHZCANMUJLB-UHFFFAOYSA-N 1 0 412.921 3.508 20 30 HHEDRO Cc1cc(NC(=O)N2CCC(C)(C#N)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000506745084 1001511579 /nfs/dbraw/zinc/51/15/79/1001511579.db2.gz UXEKRXNLJSTFTQ-FQEVSTJZSA-N 1 0 406.534 3.796 20 30 HHEDRO CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000498028574 1001612831 /nfs/dbraw/zinc/61/28/31/1001612831.db2.gz CIDUQUVKRSAXPL-TZIWHRDSSA-N 1 0 420.557 3.892 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000498221940 1001705753 /nfs/dbraw/zinc/70/57/53/1001705753.db2.gz NNSCDWIGDQVBQK-UWJYYQICSA-N 1 0 409.555 3.673 20 30 HHEDRO N#CC1(NC(=O)Cc2cscc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000498222359 1001706019 /nfs/dbraw/zinc/70/60/19/1001706019.db2.gz SHDITGWRZHBBMB-UHFFFAOYSA-N 1 0 418.360 3.728 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(C)C ZINC000498361798 1001795764 /nfs/dbraw/zinc/79/57/64/1001795764.db2.gz WWMUTRKVTPFHKL-OAQYLSRUSA-N 1 0 410.562 3.859 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC000498382619 1001812743 /nfs/dbraw/zinc/81/27/43/1001812743.db2.gz FFZLWWFLQUVNEN-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)C(C)C ZINC000507111523 1001816532 /nfs/dbraw/zinc/81/65/32/1001816532.db2.gz KFKLXJDMLACJJG-RBBKRZOGSA-N 1 0 413.610 3.807 20 30 HHEDRO CCC(CC)[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000498388466 1001818049 /nfs/dbraw/zinc/81/80/49/1001818049.db2.gz DWMONQJFBXTRMI-YADHBBJMSA-N 1 0 400.567 3.615 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000507229597 1001916389 /nfs/dbraw/zinc/91/63/89/1001916389.db2.gz BZYQMSURJMUZBE-QHCPKHFHSA-N 1 0 420.553 3.910 20 30 HHEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507470606 1002089946 /nfs/dbraw/zinc/08/99/46/1002089946.db2.gz VBWSJCHOVCXREO-UHFFFAOYSA-N 1 0 414.569 3.884 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000507645976 1002246652 /nfs/dbraw/zinc/24/66/52/1002246652.db2.gz VSTHPUSSZVQMFV-UPVQGACJSA-N 1 0 422.573 3.723 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000498888215 1002276520 /nfs/dbraw/zinc/27/65/20/1002276520.db2.gz FNXKJVCRARTPDD-UHFFFAOYSA-N 1 0 411.571 3.919 20 30 HHEDRO C[C@@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000507708123 1002299070 /nfs/dbraw/zinc/29/90/70/1002299070.db2.gz MVBRWQWTPVOQAX-NFBKMPQASA-N 1 0 414.509 3.515 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(C2CCCC2)no1 ZINC000507815867 1002362669 /nfs/dbraw/zinc/36/26/69/1002362669.db2.gz SKBIZEBGQGWHIF-UHFFFAOYSA-N 1 0 402.568 3.825 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000507848533 1002387221 /nfs/dbraw/zinc/38/72/21/1002387221.db2.gz VVKSFZKSWJHZOZ-GOSISDBHSA-N 1 0 420.431 3.860 20 30 HHEDRO Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000507891093 1002424427 /nfs/dbraw/zinc/42/44/27/1002424427.db2.gz ZGJSURGLXNSMOH-XZOQPEGZSA-N 1 0 412.541 3.845 20 30 HHEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000507894010 1002427778 /nfs/dbraw/zinc/42/77/78/1002427778.db2.gz KCMDLCLFLJLYQW-NRFANRHFSA-N 1 0 400.910 3.819 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)cc1 ZINC000508267542 1002783897 /nfs/dbraw/zinc/78/38/97/1002783897.db2.gz VPJGMBYBRUNJFW-OAQYLSRUSA-N 1 0 408.502 3.541 20 30 HHEDRO N#CC1(CCC[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)CCOCC1 ZINC000499522235 1002911330 /nfs/dbraw/zinc/91/13/30/1002911330.db2.gz KKITZNTVEOXRFL-SFHVURJKSA-N 1 0 402.514 3.760 20 30 HHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000499579533 1002956786 /nfs/dbraw/zinc/95/67/86/1002956786.db2.gz OMRUVDHTIQMXNI-UHFFFAOYSA-N 1 0 416.566 3.948 20 30 HHEDRO C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508474897 1002959321 /nfs/dbraw/zinc/95/93/21/1002959321.db2.gz WKIXNDWMTOUWSN-OAQYLSRUSA-N 1 0 420.605 3.729 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508476804 1002961049 /nfs/dbraw/zinc/96/10/49/1002961049.db2.gz HKXVROWYWMCCLU-INIZCTEOSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508480715 1002965298 /nfs/dbraw/zinc/96/52/98/1002965298.db2.gz JLPSBAWFVFFVMB-QGZVFWFLSA-N 1 0 404.356 3.670 20 30 HHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508482586 1002967256 /nfs/dbraw/zinc/96/72/56/1002967256.db2.gz YTPTTWDOEMTMDO-LJQANCHMSA-N 1 0 401.599 3.667 20 30 HHEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508497588 1002980704 /nfs/dbraw/zinc/98/07/04/1002980704.db2.gz MFDXASGLFRUWMH-QZTJIDSGSA-N 1 0 415.607 3.827 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000499792012 1003127825 /nfs/dbraw/zinc/12/78/25/1003127825.db2.gz ORGSVIVFKASAIY-UHFFFAOYSA-N 1 0 421.545 3.548 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508719371 1003160141 /nfs/dbraw/zinc/16/01/41/1003160141.db2.gz VWERSLZHTAWUPU-MRXNPFEDSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508722479 1003162812 /nfs/dbraw/zinc/16/28/12/1003162812.db2.gz DKFNDECFOUZLEZ-SFHVURJKSA-N 1 0 405.550 3.689 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508795215 1003223848 /nfs/dbraw/zinc/22/38/48/1003223848.db2.gz NETLSNLTFXWHKA-NZQKXSOJSA-N 1 0 416.573 3.920 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508800259 1003227955 /nfs/dbraw/zinc/22/79/55/1003227955.db2.gz FDHYJEQLLDRZOO-KRWDZBQOSA-N 1 0 403.477 3.797 20 30 HHEDRO C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508800613 1003227976 /nfs/dbraw/zinc/22/79/76/1003227976.db2.gz GVTRYLGENDBXSR-UHFFFAOYSA-N 1 0 419.529 3.835 20 30 HHEDRO C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508833506 1003255375 /nfs/dbraw/zinc/25/53/75/1003255375.db2.gz PJKRPLIMYQVQAH-UHFFFAOYSA-N 1 0 408.319 3.563 20 30 HHEDRO C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508841325 1003261596 /nfs/dbraw/zinc/26/15/96/1003261596.db2.gz PYMXFYLXSQIDNQ-UHFFFAOYSA-N 1 0 413.566 3.895 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000508843060 1003263469 /nfs/dbraw/zinc/26/34/69/1003263469.db2.gz AXJDHMSHISNIBS-UHFFFAOYSA-N 1 0 409.578 3.883 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000508847700 1003269021 /nfs/dbraw/zinc/26/90/21/1003269021.db2.gz LEWGUGPODFKZAZ-NRFANRHFSA-N 1 0 402.546 3.935 20 30 HHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508876059 1003295917 /nfs/dbraw/zinc/29/59/17/1003295917.db2.gz WNSGKYLFFPVIIC-PMACEKPBSA-N 1 0 424.593 3.550 20 30 HHEDRO C=CCN1CC[C@H]([N@@H+](C)CCCC(=O)Nc2c(CC)ccc(Cl)c2CC)C1=O ZINC000500000246 1003318344 /nfs/dbraw/zinc/31/83/44/1003318344.db2.gz XKYGEKZAAGPXSL-IBGZPJMESA-N 1 0 405.970 3.902 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508892555 1003321516 /nfs/dbraw/zinc/32/15/16/1003321516.db2.gz CSLYDGXFXRODKQ-GOSISDBHSA-N 1 0 406.534 3.954 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508900131 1003333451 /nfs/dbraw/zinc/33/34/51/1003333451.db2.gz AHNZGXKNPYJBJY-MBSDFSHPSA-N 1 0 406.530 3.802 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000508921757 1003360466 /nfs/dbraw/zinc/36/04/66/1003360466.db2.gz MUVIPNMFLLULGV-JOCHJYFZSA-N 1 0 409.578 3.555 20 30 HHEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000508930909 1003376657 /nfs/dbraw/zinc/37/66/57/1003376657.db2.gz AGGKGRAFKQEUQF-UHFFFAOYSA-N 1 0 400.542 3.637 20 30 HHEDRO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508935688 1003380439 /nfs/dbraw/zinc/38/04/39/1003380439.db2.gz OLIYKPFPTSFIMR-FXAWDEMLSA-N 1 0 423.561 3.601 20 30 HHEDRO C=CCn1c(-c2cccn2C)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000508936705 1003384410 /nfs/dbraw/zinc/38/44/10/1003384410.db2.gz SXNFQFPGPKOODO-UHFFFAOYSA-N 1 0 404.562 3.818 20 30 HHEDRO C=CCn1c(COc2ccccc2OCC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508937746 1003386491 /nfs/dbraw/zinc/38/64/91/1003386491.db2.gz ZTQUEYCFIXEIEE-IBGZPJMESA-N 1 0 411.550 3.506 20 30 HHEDRO C=CCn1c(-c2cccc3ccccc32)nnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508996133 1003467358 /nfs/dbraw/zinc/46/73/58/1003467358.db2.gz NKNHLTZASMMQFE-IBGZPJMESA-N 1 0 417.557 3.974 20 30 HHEDRO N#Cc1cccc(F)c1CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000509053940 1003518523 /nfs/dbraw/zinc/51/85/23/1003518523.db2.gz JEBLUTRVZNCUIN-UHFFFAOYSA-N 1 0 408.477 3.693 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000500236648 1003573215 /nfs/dbraw/zinc/57/32/15/1003573215.db2.gz ODMHXWDQMKGKEZ-QFIPXVFZSA-N 1 0 422.573 3.967 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cccc(C#N)c2C)ccc1Cl ZINC000509271277 1003669250 /nfs/dbraw/zinc/66/92/50/1003669250.db2.gz SFUSWGAKXIWTFG-UHFFFAOYSA-N 1 0 412.921 3.844 20 30 HHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccco1 ZINC000509553517 1003941298 /nfs/dbraw/zinc/94/12/98/1003941298.db2.gz HQJSQUPEJNHPSF-ICSRJNTNSA-N 1 0 409.534 3.502 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000500829566 1003987129 /nfs/dbraw/zinc/98/71/29/1003987129.db2.gz DEWMWJHZFOUXIT-QGZVFWFLSA-N 1 0 415.534 3.549 20 30 HHEDRO COc1ccc(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)cc1OCCCC#N ZINC000512068463 1003997890 /nfs/dbraw/zinc/99/78/90/1003997890.db2.gz RIPYDFFREAFNCQ-UHFFFAOYSA-N 1 0 410.514 3.996 20 30 HHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000512185159 1004086683 /nfs/dbraw/zinc/08/66/83/1004086683.db2.gz ZWFDKZXIBQCHPU-CQSZACIVSA-N 1 0 400.302 3.897 20 30 HHEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000512211809 1004112827 /nfs/dbraw/zinc/11/28/27/1004112827.db2.gz IVHCSBMKUVQSGP-LJQANCHMSA-N 1 0 402.420 3.651 20 30 HHEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000509923782 1004210663 /nfs/dbraw/zinc/21/06/63/1004210663.db2.gz GMHRJILRBIYXPH-UHFFFAOYSA-N 1 0 422.598 3.713 20 30 HHEDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000512340898 1004229239 /nfs/dbraw/zinc/22/92/39/1004229239.db2.gz AMBCFELLOUNMJX-GOTSBHOMSA-N 1 0 402.498 3.973 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1OCCCC#N ZINC000512595531 1004411053 /nfs/dbraw/zinc/41/10/53/1004411053.db2.gz RBSFKKDKJSIUMN-UHFFFAOYSA-N 1 0 423.513 3.934 20 30 HHEDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000512609823 1004423186 /nfs/dbraw/zinc/42/31/86/1004423186.db2.gz RBQGBNOPYMNCDJ-IBGZPJMESA-N 1 0 407.562 3.836 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc(OC)c1O ZINC000512648950 1004460179 /nfs/dbraw/zinc/46/01/79/1004460179.db2.gz RQXPPIYVYCVEIO-UHFFFAOYSA-N 1 0 405.498 3.852 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000510347073 1004498301 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PSMRWEPYLSMHIJ-UHFFFAOYSA-N 1 0 407.558 3.784 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501696930 1004615141 /nfs/dbraw/zinc/61/51/41/1004615141.db2.gz KMSXAYCDLJKFNK-NZQKXSOJSA-N 1 0 411.590 3.608 20 30 HHEDRO Cc1nc(-c2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)o2)cs1 ZINC000501726185 1004648306 /nfs/dbraw/zinc/64/83/06/1004648306.db2.gz KWIPCPAFAJFVTA-UHFFFAOYSA-N 1 0 423.542 3.857 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c(F)c1 ZINC000512929962 1004702673 /nfs/dbraw/zinc/70/26/73/1004702673.db2.gz KUQRBHGCUGHBIN-JOCHJYFZSA-N 1 0 420.532 3.695 20 30 HHEDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000501970458 1004838039 /nfs/dbraw/zinc/83/80/39/1004838039.db2.gz RARJOSLWNCYKNZ-QHCPKHFHSA-N 1 0 421.541 3.574 20 30 HHEDRO FC(F)C(F)(F)COCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513197063 1004855700 /nfs/dbraw/zinc/85/57/00/1004855700.db2.gz SXSUMTMDNVREJC-HNNXBMFYSA-N 1 0 403.338 3.914 20 30 HHEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 ZINC000513204038 1004859230 /nfs/dbraw/zinc/85/92/30/1004859230.db2.gz BKXKGLBOCYGHKL-HXUWFJFHSA-N 1 0 403.404 3.507 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)c1 ZINC000502185037 1004944993 /nfs/dbraw/zinc/94/49/93/1004944993.db2.gz JFAULNWGZLDVNK-UHFFFAOYSA-N 1 0 424.932 3.569 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)c1C#N ZINC000513417209 1004955702 /nfs/dbraw/zinc/95/57/02/1004955702.db2.gz UMCZLECFUIGDKL-HNNXBMFYSA-N 1 0 416.485 3.784 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000510970292 1004959243 /nfs/dbraw/zinc/95/92/43/1004959243.db2.gz RVDKAFAYTLBMRN-ZCNNSNEGSA-N 1 0 412.578 3.989 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[NH+](C)C)cc1 ZINC000511010747 1004978667 /nfs/dbraw/zinc/97/86/67/1004978667.db2.gz BRVQZUOSJNAZRQ-LZBANZJXSA-N 1 0 421.545 3.554 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000513466286 1004979385 /nfs/dbraw/zinc/97/93/85/1004979385.db2.gz CFYXQVBOXPGTHW-SFHVURJKSA-N 1 0 410.905 3.630 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000511020821 1004983418 /nfs/dbraw/zinc/98/34/18/1004983418.db2.gz YNRBEKOWFMPCRS-KBWCOIMZSA-N 1 0 413.566 3.597 20 30 HHEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000502290144 1004996026 /nfs/dbraw/zinc/99/60/26/1004996026.db2.gz FOMAIQPRXFDUDJ-QHCPKHFHSA-N 1 0 414.553 3.922 20 30 HHEDRO Cn1nccc1C1=CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000511090627 1005014589 /nfs/dbraw/zinc/01/45/89/1005014589.db2.gz JOCDEQGITVNNAH-UHFFFAOYSA-N 1 0 409.559 3.740 20 30 HHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502332542 1005016961 /nfs/dbraw/zinc/01/69/61/1005016961.db2.gz NJBUSSSCULKDDS-FQEVSTJZSA-N 1 0 415.497 3.922 20 30 HHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1 ZINC000502386712 1005050188 /nfs/dbraw/zinc/05/01/88/1005050188.db2.gz QCPRGVJNPRFOLJ-FQEVSTJZSA-N 1 0 415.497 3.792 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000502405583 1005060922 /nfs/dbraw/zinc/06/09/22/1005060922.db2.gz JSQBZLWSJFEAGC-HSZRJFAPSA-N 1 0 419.573 3.988 20 30 HHEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000513667564 1005074744 /nfs/dbraw/zinc/07/47/44/1005074744.db2.gz SAADTBOOWGREPG-FTJBHMTQSA-N 1 0 418.585 3.796 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511237044 1005085911 /nfs/dbraw/zinc/08/59/11/1005085911.db2.gz VRUZGWAGYGXIDP-WOJBJXKFSA-N 1 0 412.578 3.869 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2cccs2)CC1 ZINC000502519819 1005099556 /nfs/dbraw/zinc/09/95/56/1005099556.db2.gz TWGBTRUDAMVCEM-VGOFRKELSA-N 1 0 419.591 3.899 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3OCC(=O)N3CCCC3)CC2)cc1 ZINC000513745973 1005106770 /nfs/dbraw/zinc/10/67/70/1005106770.db2.gz LHDHVBXBPUAFCB-UHFFFAOYSA-N 1 0 419.525 3.603 20 30 HHEDRO Cc1sc(NC(=O)C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c(C#N)c1C ZINC000502536674 1005107992 /nfs/dbraw/zinc/10/79/92/1005107992.db2.gz YIRQWHSYNBESOF-FQEVSTJZSA-N 1 0 403.935 3.820 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000513911919 1005184720 /nfs/dbraw/zinc/18/47/20/1005184720.db2.gz WMJURNLJNBXBJR-OAQYLSRUSA-N 1 0 404.407 3.748 20 30 HHEDRO C[C@@H]1CCC[C@H]([N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000513959648 1005202991 /nfs/dbraw/zinc/20/29/91/1005202991.db2.gz QUPXAWFSTHKLNF-UDABPDOUSA-N 1 0 411.546 3.850 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000511569781 1005228641 /nfs/dbraw/zinc/22/86/41/1005228641.db2.gz BNUNAMASQUVDOS-UHFFFAOYSA-N 1 0 415.537 3.502 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 ZINC000511579809 1005232743 /nfs/dbraw/zinc/23/27/43/1005232743.db2.gz WAJOTEVJLLXRDF-HXUWFJFHSA-N 1 0 403.404 3.814 20 30 HHEDRO CCC1(CNC(=O)COc2ccc(C#N)cc2OC)CC[NH+](Cc2ccccc2)CC1 ZINC000514056086 1005246876 /nfs/dbraw/zinc/24/68/76/1005246876.db2.gz WKKVCVXFQKAKHT-UHFFFAOYSA-N 1 0 421.541 3.754 20 30 HHEDRO COCCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1OC ZINC000514100092 1005265325 /nfs/dbraw/zinc/26/53/25/1005265325.db2.gz TWVXUZHQICQLBP-SFHVURJKSA-N 1 0 409.530 3.912 20 30 HHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000502981706 1005302302 /nfs/dbraw/zinc/30/23/02/1005302302.db2.gz HVQOQUFVGIUZFH-JOCHJYFZSA-N 1 0 417.575 3.744 20 30 HHEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000514242084 1005329134 /nfs/dbraw/zinc/32/91/34/1005329134.db2.gz PVUNPPSOXGEBPW-ZBFHGGJFSA-N 1 0 402.539 3.598 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000511790298 1005329891 /nfs/dbraw/zinc/32/98/91/1005329891.db2.gz ZUUORWPZPBTMDB-SFHVURJKSA-N 1 0 414.569 3.931 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c(-c2ccccc2)n1 ZINC000511796768 1005333088 /nfs/dbraw/zinc/33/30/88/1005333088.db2.gz ZJCSMDHWPZPJEO-UHFFFAOYSA-N 1 0 419.554 3.920 20 30 HHEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1n1ccnc1 ZINC000503072836 1005338113 /nfs/dbraw/zinc/33/81/13/1005338113.db2.gz DITJZHSXBNYHOS-QFBILLFUSA-N 1 0 411.575 3.997 20 30 HHEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000503262408 1005379588 /nfs/dbraw/zinc/37/95/88/1005379588.db2.gz XIXBHTNPDJFYBI-MRXNPFEDSA-N 1 0 416.576 3.555 20 30 HHEDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000503387118 1005405141 /nfs/dbraw/zinc/40/51/41/1005405141.db2.gz HEOOYBSRVHMFGG-PGRDOPGGSA-N 1 0 413.525 3.835 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1Cl ZINC000503427234 1005417352 /nfs/dbraw/zinc/41/73/52/1005417352.db2.gz CSABZJMQGBLUIK-KRWDZBQOSA-N 1 0 411.937 3.953 20 30 HHEDRO COc1cc(OC)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000503440032 1005421145 /nfs/dbraw/zinc/42/11/45/1005421145.db2.gz WNRYIZQRGVLUOS-UHFFFAOYSA-N 1 0 416.909 3.825 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)C(C)C ZINC000503440785 1005421299 /nfs/dbraw/zinc/42/12/99/1005421299.db2.gz VHWFNVCLASTOBO-HXUWFJFHSA-N 1 0 408.550 3.711 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000503506531 1005439870 /nfs/dbraw/zinc/43/98/70/1005439870.db2.gz PYHRVRQGJFMJFX-VQIMIIECSA-N 1 0 417.962 3.885 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000503689992 1005481125 /nfs/dbraw/zinc/48/11/25/1005481125.db2.gz LSSGDSHJWOYHHQ-LJQANCHMSA-N 1 0 405.546 3.519 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000503689991 1005481146 /nfs/dbraw/zinc/48/11/46/1005481146.db2.gz LSSGDSHJWOYHHQ-IBGZPJMESA-N 1 0 405.546 3.519 20 30 HHEDRO COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000503911849 1005510516 /nfs/dbraw/zinc/51/05/16/1005510516.db2.gz QSUWTMXZZUGANH-SFHVURJKSA-N 1 0 422.529 3.554 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000531081465 1005984044 /nfs/dbraw/zinc/98/40/44/1005984044.db2.gz OFBDEKGSYACEAF-RXVVDRJESA-N 1 0 406.530 3.687 20 30 HHEDRO COc1cc(CCC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc(OC)c1 ZINC000514523342 1006019128 /nfs/dbraw/zinc/01/91/28/1006019128.db2.gz ODFKERMMEJMQGF-MHECFPHRSA-N 1 0 415.578 3.791 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1C#N ZINC000534099059 1006071411 /nfs/dbraw/zinc/07/14/11/1006071411.db2.gz USDPTUVILOCWOD-GOSISDBHSA-N 1 0 400.523 3.540 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Nc3ccccn3)CC1)CCCC2 ZINC000534126594 1006101658 /nfs/dbraw/zinc/10/16/58/1006101658.db2.gz NKHZIWLNQABXKG-UHFFFAOYSA-N 1 0 409.559 3.799 20 30 HHEDRO Cc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1-c1ccccc1 ZINC000531413525 1006179922 /nfs/dbraw/zinc/17/99/22/1006179922.db2.gz JPPBLCJRWNJGDK-UHFFFAOYSA-N 1 0 414.509 3.838 20 30 HHEDRO N#C[C@@]1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCc2ccccc2C1 ZINC000514879644 1006180732 /nfs/dbraw/zinc/18/07/32/1006180732.db2.gz AKEVZYBQZWZNCQ-JTHBVZDNSA-N 1 0 409.480 3.711 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000531588273 1006289186 /nfs/dbraw/zinc/28/91/86/1006289186.db2.gz HMBUKNZDIPALRX-LJQANCHMSA-N 1 0 402.970 3.845 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000515277083 1006373962 /nfs/dbraw/zinc/37/39/62/1006373962.db2.gz LTTVXABIWUCCAO-INIZCTEOSA-N 1 0 424.932 3.698 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1NC(C)=O ZINC000531715562 1006375151 /nfs/dbraw/zinc/37/51/51/1006375151.db2.gz JGGTUISAUHXUJM-DNVCBOLYSA-N 1 0 410.493 3.984 20 30 HHEDRO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000534508865 1006506946 /nfs/dbraw/zinc/50/69/46/1006506946.db2.gz YNVHURLVDZWOMC-UHFFFAOYSA-N 1 0 401.514 3.769 20 30 HHEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000538390557 1006660556 /nfs/dbraw/zinc/66/05/56/1006660556.db2.gz BTRPGIYMQBZXMR-HXOBKFHXSA-N 1 0 405.498 3.834 20 30 HHEDRO CCCCNC(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000538395631 1006665086 /nfs/dbraw/zinc/66/50/86/1006665086.db2.gz HBSPHEYIXROGFI-UHFFFAOYSA-N 1 0 404.558 3.842 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(F)cc1 ZINC000515928198 1006770514 /nfs/dbraw/zinc/77/05/14/1006770514.db2.gz BHYJGIXTTFPMMS-FQEVSTJZSA-N 1 0 407.445 3.902 20 30 HHEDRO CCCOc1ccc(-c2nc(C(=O)Nc3n[nH]c(CCC[NH2+]C)c3C#N)cs2)cc1 ZINC000534789783 1006790869 /nfs/dbraw/zinc/79/08/69/1006790869.db2.gz LQAMUODVHMSGSN-UHFFFAOYSA-N 1 0 424.530 3.598 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)[NH+]1CCCC1 ZINC000515970456 1006798588 /nfs/dbraw/zinc/79/85/88/1006798588.db2.gz UCQAVYACZAFKOQ-XUZZJYLKSA-N 1 0 421.541 3.924 20 30 HHEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)C2)CC1 ZINC000532351044 1006810896 /nfs/dbraw/zinc/81/08/96/1006810896.db2.gz YIOWZDKTFDPQBQ-DEOSSOPVSA-N 1 0 416.569 3.719 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000532429442 1006872440 /nfs/dbraw/zinc/87/24/40/1006872440.db2.gz WLSLBMUQTGCSKB-JWQCQUIFSA-N 1 0 405.542 3.870 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516292127 1007001443 /nfs/dbraw/zinc/00/14/43/1007001443.db2.gz LKGZLKJRPPCUMX-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000532673472 1007087747 /nfs/dbraw/zinc/08/77/47/1007087747.db2.gz OORPYBRTRKKFHG-RPBOFIJWSA-N 1 0 402.538 3.584 20 30 HHEDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000538868081 1007145411 /nfs/dbraw/zinc/14/54/11/1007145411.db2.gz CWVPFZDJEGTYHO-FDDCHVKYSA-N 1 0 424.520 3.691 20 30 HHEDRO C=C(C)COc1cc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)ccc1OC ZINC000532747554 1007158541 /nfs/dbraw/zinc/15/85/41/1007158541.db2.gz NFDNOUVDQNACQC-NRFANRHFSA-N 1 0 409.530 3.712 20 30 HHEDRO CC(C)[NH+](CCn1c(Sc2cccc(C#N)n2)nc2ccccc2c1=O)C(C)C ZINC000535130407 1007167091 /nfs/dbraw/zinc/16/70/91/1007167091.db2.gz UZSUNWXFBRSHFW-UHFFFAOYSA-N 1 0 407.543 3.933 20 30 HHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)C2)CC1 ZINC000535141003 1007179793 /nfs/dbraw/zinc/17/97/93/1007179793.db2.gz IDAAGYBYDKPDEE-HSZRJFAPSA-N 1 0 403.526 3.941 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1)CC1CC1 ZINC000538915465 1007200036 /nfs/dbraw/zinc/20/00/36/1007200036.db2.gz MPHUKBQJCSJOKO-UHFFFAOYSA-N 1 0 412.578 3.569 20 30 HHEDRO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCc2ccc(F)cc2)C2CCCC2)c1 ZINC000532827227 1007210724 /nfs/dbraw/zinc/21/07/24/1007210724.db2.gz LPDKMWKGYDDIEZ-UHFFFAOYSA-N 1 0 400.519 3.958 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000532966129 1007332539 /nfs/dbraw/zinc/33/25/39/1007332539.db2.gz DKVCGOXWZXSTJV-MRXNPFEDSA-N 1 0 412.534 3.572 20 30 HHEDRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000539075179 1007365857 /nfs/dbraw/zinc/36/58/57/1007365857.db2.gz YUFVOUGUCVDKBX-MRXNPFEDSA-N 1 0 403.573 3.904 20 30 HHEDRO CC[NH+]1CCN(CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000517084991 1007398995 /nfs/dbraw/zinc/39/89/95/1007398995.db2.gz JBMFANRTXMBDKM-UHFFFAOYSA-N 1 0 422.598 3.608 20 30 HHEDRO C=C[C@H](CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000535356364 1007413144 /nfs/dbraw/zinc/41/31/44/1007413144.db2.gz VKVKROYDPCBXIE-DHIUTWEWSA-N 1 0 418.585 3.802 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC000517149060 1007462435 /nfs/dbraw/zinc/46/24/35/1007462435.db2.gz QTDNVSPZZTUMHE-QHCPKHFHSA-N 1 0 410.562 3.810 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000539208448 1007501567 /nfs/dbraw/zinc/50/15/67/1007501567.db2.gz HGRFMLLBEVBYEH-HSZRJFAPSA-N 1 0 420.557 3.868 20 30 HHEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000539224267 1007515660 /nfs/dbraw/zinc/51/56/60/1007515660.db2.gz CYFWXGWCWNDTLR-OLZOCXBDSA-N 1 0 417.893 3.915 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000539236494 1007529985 /nfs/dbraw/zinc/52/99/85/1007529985.db2.gz LSOZBFGXWNXFLJ-UHFFFAOYSA-N 1 0 401.557 3.525 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000517290900 1007542758 /nfs/dbraw/zinc/54/27/58/1007542758.db2.gz GOTDYYJWYNGAED-UHFFFAOYSA-N 1 0 407.518 3.523 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000539252612 1007545907 /nfs/dbraw/zinc/54/59/07/1007545907.db2.gz LDFZFZHEWAPTKG-KOSHJBKYSA-N 1 0 409.530 3.979 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000533229379 1007551510 /nfs/dbraw/zinc/55/15/10/1007551510.db2.gz FKUNWOKJJVHREK-QGZVFWFLSA-N 1 0 408.571 3.643 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)c(OCCC)c(OC)c2)CC1 ZINC000517304274 1007552469 /nfs/dbraw/zinc/55/24/69/1007552469.db2.gz BTSJQLJDLWTKFC-UHFFFAOYSA-N 1 0 411.340 3.627 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1 ZINC000517328960 1007570848 /nfs/dbraw/zinc/57/08/48/1007570848.db2.gz QOSXCDDAXUJTAX-UHFFFAOYSA-N 1 0 413.562 3.741 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276816 1007571500 /nfs/dbraw/zinc/57/15/00/1007571500.db2.gz NWLKKVROOKRSNG-CMJOXMDJSA-N 1 0 408.477 3.537 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)c1C#N ZINC000533285005 1007597660 /nfs/dbraw/zinc/59/76/60/1007597660.db2.gz LUGRQEVCPOLFBY-SFHVURJKSA-N 1 0 422.573 3.979 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000533293040 1007607780 /nfs/dbraw/zinc/60/77/80/1007607780.db2.gz KBQVXGGYDRBJJG-DNVCBOLYSA-N 1 0 406.368 3.855 20 30 HHEDRO COCCOC1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533297572 1007613014 /nfs/dbraw/zinc/61/30/14/1007613014.db2.gz VJUHFGLRSHGUAN-UHFFFAOYSA-N 1 0 410.514 3.773 20 30 HHEDRO CC(C)COc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000539317295 1007615711 /nfs/dbraw/zinc/61/57/11/1007615711.db2.gz UBOFDOFAFMPVNC-UHFFFAOYSA-N 1 0 400.544 3.892 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000539330969 1007631372 /nfs/dbraw/zinc/63/13/72/1007631372.db2.gz STOKVDGAVHHNAA-UXHICEINSA-N 1 0 416.529 3.870 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000533348816 1007656515 /nfs/dbraw/zinc/65/65/15/1007656515.db2.gz NMIHXVZPCHCHPR-UHFFFAOYSA-N 1 0 414.303 3.555 20 30 HHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3sc(C)c(C)c3C#N)ccc2NC1=O ZINC000539359638 1007661272 /nfs/dbraw/zinc/66/12/72/1007661272.db2.gz XEHRKQBVBFVAAA-YVEFUNNKSA-N 1 0 412.515 3.635 20 30 HHEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000517439973 1007662049 /nfs/dbraw/zinc/66/20/49/1007662049.db2.gz GIZNFJTWSZZWKW-UHFFFAOYSA-N 1 0 417.557 3.776 20 30 HHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000533364801 1007672891 /nfs/dbraw/zinc/67/28/91/1007672891.db2.gz GUEQBVXOPZKEAR-FQEVSTJZSA-N 1 0 419.529 3.729 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535673224 1007694339 /nfs/dbraw/zinc/69/43/39/1007694339.db2.gz QCBWUUKTGBVHCH-HRAATJIYSA-N 1 0 401.869 3.539 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000533386796 1007698863 /nfs/dbraw/zinc/69/88/63/1007698863.db2.gz WKBJSTUOICFZML-GOSISDBHSA-N 1 0 400.542 3.904 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CSc2cccc3cccc(Cl)c32)c1C#N ZINC000517502973 1007724485 /nfs/dbraw/zinc/72/44/85/1007724485.db2.gz DHPTZJQRXJDXNG-UHFFFAOYSA-N 1 0 413.934 3.971 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1N1CCOCC1 ZINC000533423666 1007731025 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PLJDGJOBRMTGCI-HOTGVXAUSA-N 1 0 403.482 3.934 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000517853108 1008014260 /nfs/dbraw/zinc/01/42/60/1008014260.db2.gz LUKBZKNRLSVHFP-QZTJIDSGSA-N 1 0 420.513 3.668 20 30 HHEDRO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)nn1CCC#N ZINC000539715197 1008030362 /nfs/dbraw/zinc/03/03/62/1008030362.db2.gz JHYOHFMBXDDCDP-KRWDZBQOSA-N 1 0 400.552 3.761 20 30 HHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)nn1CCC#N ZINC000539717055 1008033006 /nfs/dbraw/zinc/03/30/06/1008033006.db2.gz DYZKMYRHBBCNFJ-UHFFFAOYSA-N 1 0 422.455 3.720 20 30 HHEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(Br)cc1F ZINC000518000565 1008095276 /nfs/dbraw/zinc/09/52/76/1008095276.db2.gz PTFQIUQEMGKEON-CJNGLKHVSA-N 1 0 407.283 3.745 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3cccc4ccccc43)n2)c1C#N ZINC000539798290 1008103027 /nfs/dbraw/zinc/10/30/27/1008103027.db2.gz GZPXUYBTKIOOES-UHFFFAOYSA-N 1 0 416.510 3.962 20 30 HHEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC000539818565 1008113037 /nfs/dbraw/zinc/11/30/37/1008113037.db2.gz XPKADOAFWYNDQU-DNQXCXABSA-N 1 0 406.526 3.889 20 30 HHEDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000518295640 1008245025 /nfs/dbraw/zinc/24/50/25/1008245025.db2.gz ZBNXCYVGOIWRQG-HXUWFJFHSA-N 1 0 408.502 3.565 20 30 HHEDRO CC[N@H+](CCC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1)CC1CC1 ZINC000540049199 1008258384 /nfs/dbraw/zinc/25/83/84/1008258384.db2.gz HWCCGLXZYVWPIV-FQEVSTJZSA-N 1 0 400.592 3.559 20 30 HHEDRO C=CCC[C@@H](CCC)[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000540173050 1008322102 /nfs/dbraw/zinc/32/21/02/1008322102.db2.gz KTQQGXOTVCLFSD-QGZVFWFLSA-N 1 0 410.580 3.581 20 30 HHEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540179095 1008324966 /nfs/dbraw/zinc/32/49/66/1008324966.db2.gz MLIIFTFIEXQJGS-YQHFOJDRSA-N 1 0 413.543 3.971 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000540224819 1008342817 /nfs/dbraw/zinc/34/28/17/1008342817.db2.gz JUDKUPDTFDZXTH-UHFFFAOYSA-N 1 0 420.435 3.937 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000518593676 1008359090 /nfs/dbraw/zinc/35/90/90/1008359090.db2.gz ZQOGWTDMEQWYLE-SFHVURJKSA-N 1 0 420.513 3.588 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)ccc1OCc1ccncc1 ZINC000540350283 1008392785 /nfs/dbraw/zinc/39/27/85/1008392785.db2.gz FSGNYCOAVVOVQE-QGZVFWFLSA-N 1 0 416.481 3.830 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccncc1 ZINC000540351403 1008393806 /nfs/dbraw/zinc/39/38/06/1008393806.db2.gz JMPXIHZAQMMEDL-KRWDZBQOSA-N 1 0 416.481 3.830 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540359587 1008398841 /nfs/dbraw/zinc/39/88/41/1008398841.db2.gz CULWIMAICUZLRT-ZWKOTPCHSA-N 1 0 405.477 3.997 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000518750422 1008413415 /nfs/dbraw/zinc/41/34/15/1008413415.db2.gz NRWWHUHJLMMMFP-SJORKVTESA-N 1 0 416.591 3.646 20 30 HHEDRO Cc1ccnc(OC2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000542976751 1008551008 /nfs/dbraw/zinc/55/10/08/1008551008.db2.gz JSXVFCVJZGYMOK-UHFFFAOYSA-N 1 0 410.543 3.684 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cn(-c4ccc(F)c(Cl)c4)nn3)CC2)cc1 ZINC000543019882 1008597780 /nfs/dbraw/zinc/59/77/80/1008597780.db2.gz SXBRLXYXCVJVNT-UHFFFAOYSA-N 1 0 424.911 3.639 20 30 HHEDRO CCN1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549116361 1008683209 /nfs/dbraw/zinc/68/32/09/1008683209.db2.gz NBLWHSWXWQMPTJ-FPOVZHCZSA-N 1 0 400.885 3.714 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000519291087 1008702836 /nfs/dbraw/zinc/70/28/36/1008702836.db2.gz MFUPZVAHUISXDD-UHFFFAOYSA-N 1 0 404.725 3.742 20 30 HHEDRO COc1cc2c(cc1F)CC[C@@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000549239968 1008810458 /nfs/dbraw/zinc/81/04/58/1008810458.db2.gz MDXNVSZSEHODRY-QFIPXVFZSA-N 1 0 422.504 3.611 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000549262818 1008831971 /nfs/dbraw/zinc/83/19/71/1008831971.db2.gz QBNHDTOZDCWZPJ-OAQYLSRUSA-N 1 0 403.615 3.943 20 30 HHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549283819 1008854847 /nfs/dbraw/zinc/85/48/47/1008854847.db2.gz ATJXDHGJKYAGSO-WIYYLYMNSA-N 1 0 422.533 3.883 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)c(F)c1 ZINC000549341389 1008920659 /nfs/dbraw/zinc/92/06/59/1008920659.db2.gz WICOSADDAHZIHW-OAQYLSRUSA-N 1 0 406.505 3.692 20 30 HHEDRO N#CCCn1cc(C=Cc2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)c2ccccc21 ZINC000545847785 1008934475 /nfs/dbraw/zinc/93/44/75/1008934475.db2.gz ILNXZLCUYDMLQJ-XFLGFHDOSA-N 1 0 400.486 3.964 20 30 HHEDRO COc1ccc([C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[NH+]2CCCC2)cc1 ZINC000549365016 1008947038 /nfs/dbraw/zinc/94/70/38/1008947038.db2.gz WFYMLYUBNAGSMX-SFHVURJKSA-N 1 0 418.419 3.548 20 30 HHEDRO N#Cc1ccc(N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)c(Cl)c1 ZINC000549443366 1009032897 /nfs/dbraw/zinc/03/28/97/1009032897.db2.gz NELOLHIYILDRIS-UHFFFAOYSA-N 1 0 408.933 3.770 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1c(C)nn(C)c1C ZINC000543456833 1009040242 /nfs/dbraw/zinc/04/02/42/1009040242.db2.gz CZTYRUAHONGASU-FQEVSTJZSA-N 1 0 422.533 3.648 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)c1C#N ZINC000546104621 1009128652 /nfs/dbraw/zinc/12/86/52/1009128652.db2.gz MCXXQRLNIZNDBM-UHFFFAOYSA-N 1 0 405.502 3.785 20 30 HHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC1 ZINC000549540706 1009157177 /nfs/dbraw/zinc/15/71/77/1009157177.db2.gz UQRAHPDYZQUGST-UHFFFAOYSA-N 1 0 400.530 3.832 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000520125074 1009278620 /nfs/dbraw/zinc/27/86/20/1009278620.db2.gz BLRBLFIMECJOIA-UHFFFAOYSA-N 1 0 420.601 3.764 20 30 HHEDRO C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549666807 1009296151 /nfs/dbraw/zinc/29/61/51/1009296151.db2.gz FJDXSGGCCRJIDE-HXUWFJFHSA-N 1 0 424.593 3.891 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000520190633 1009330423 /nfs/dbraw/zinc/33/04/23/1009330423.db2.gz CRHJCNZNCRXNJU-QGZVFWFLSA-N 1 0 416.591 3.790 20 30 HHEDRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(CC#N)CC2)cc1 ZINC000543809071 1009370741 /nfs/dbraw/zinc/37/07/41/1009370741.db2.gz GYYDYZJZLVMUHA-UHFFFAOYSA-N 1 0 420.513 3.902 20 30 HHEDRO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000549755889 1009373634 /nfs/dbraw/zinc/37/36/34/1009373634.db2.gz MXDXNFPJCLHTFB-UHFFFAOYSA-N 1 0 402.473 3.997 20 30 HHEDRO CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000549815241 1009422078 /nfs/dbraw/zinc/42/20/78/1009422078.db2.gz KDSQFMUGNFCFPR-UHFFFAOYSA-N 1 0 422.577 3.839 20 30 HHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H](C)O1 ZINC000549822888 1009433741 /nfs/dbraw/zinc/43/37/41/1009433741.db2.gz YPAKBUHYUIIXAI-ZIAGYGMSSA-N 1 0 418.419 3.834 20 30 HHEDRO N#CCCCOc1cccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000520314223 1009441152 /nfs/dbraw/zinc/44/11/52/1009441152.db2.gz NRGPQIFVHDTDCF-UHFFFAOYSA-N 1 0 406.530 3.910 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543884346 1009459816 /nfs/dbraw/zinc/45/98/16/1009459816.db2.gz MLGIFOBOWYJUGG-GJZGRUSLSA-N 1 0 400.914 3.639 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCCC[C@H]1C ZINC000543886929 1009462814 /nfs/dbraw/zinc/46/28/14/1009462814.db2.gz WICZXADROYXGJL-HUUCEWRRSA-N 1 0 400.914 3.782 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c(Cl)c1 ZINC000543928355 1009520989 /nfs/dbraw/zinc/52/09/89/1009520989.db2.gz PXAWVTGTKZQOLW-GOSISDBHSA-N 1 0 420.904 3.643 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000520603485 1009679855 /nfs/dbraw/zinc/67/98/55/1009679855.db2.gz KMOGEEYORHMKQA-UHFFFAOYSA-N 1 0 421.545 3.890 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)c1 ZINC000520606677 1009683163 /nfs/dbraw/zinc/68/31/63/1009683163.db2.gz KNKWDMBAPABSEI-QFIPXVFZSA-N 1 0 402.494 3.995 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)cc3OC)CC2)cc1 ZINC000546707586 1009691764 /nfs/dbraw/zinc/69/17/64/1009691764.db2.gz JJLWPBYUJHNNMZ-UHFFFAOYSA-N 1 0 408.502 3.609 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000520618022 1009695700 /nfs/dbraw/zinc/69/57/00/1009695700.db2.gz RDOVAIXGOKJKJO-UHFFFAOYSA-N 1 0 407.558 3.584 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000546752887 1009720029 /nfs/dbraw/zinc/72/00/29/1009720029.db2.gz GNCJVXHENDAZDS-XZOQPEGZSA-N 1 0 424.520 3.691 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC3(CCC[N@H+]3C)CC2)c1C#N ZINC000544136100 1009745070 /nfs/dbraw/zinc/74/50/70/1009745070.db2.gz QBMJOGUHEWYQMK-UHFFFAOYSA-N 1 0 423.561 3.507 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000520683348 1009752967 /nfs/dbraw/zinc/75/29/67/1009752967.db2.gz VPAGHLJCHOHJEZ-UHFFFAOYSA-N 1 0 401.514 3.705 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nc(C)nc3sc(C)c(C)c32)CC1 ZINC000520682805 1009753494 /nfs/dbraw/zinc/75/34/94/1009753494.db2.gz QGOSCNUPVXHANZ-UHFFFAOYSA-N 1 0 404.605 3.865 20 30 HHEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C2CC2)cc1 ZINC000544297788 1009916907 /nfs/dbraw/zinc/91/69/07/1009916907.db2.gz CIXNCIFAWRQSKV-UHFFFAOYSA-N 1 0 402.542 3.939 20 30 HHEDRO CC(C)C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCOCC1 ZINC000520954658 1010003259 /nfs/dbraw/zinc/00/32/59/1010003259.db2.gz AJJLOIMBMASSFU-XMMPIXPASA-N 1 0 407.558 3.974 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000520985623 1010026030 /nfs/dbraw/zinc/02/60/30/1010026030.db2.gz SAFPQAWUNMGUOJ-INIZCTEOSA-N 1 0 419.447 3.935 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(F)c1Br ZINC000550648611 1010081771 /nfs/dbraw/zinc/08/17/71/1010081771.db2.gz AQVBOUHHDAFYQR-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550678689 1010096580 /nfs/dbraw/zinc/09/65/80/1010096580.db2.gz OWYYYIYXJMQKJX-NXXCRTJYSA-N 1 0 418.875 3.852 20 30 HHEDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC000521090342 1010108279 /nfs/dbraw/zinc/10/82/79/1010108279.db2.gz HUIUFDYYEDZEHD-UHFFFAOYSA-N 1 0 402.454 3.938 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1Cl ZINC000521170475 1010203035 /nfs/dbraw/zinc/20/30/35/1010203035.db2.gz ORWCBADRLCPHLT-YQQQUEKLSA-N 1 0 415.946 3.686 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)CC1 ZINC000547276922 1010222422 /nfs/dbraw/zinc/22/24/22/1010222422.db2.gz PNTICSNRRUJVNV-FQEVSTJZSA-N 1 0 401.942 3.503 20 30 HHEDRO COc1ccc(CC[C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000521510995 1010426079 /nfs/dbraw/zinc/42/60/79/1010426079.db2.gz LTFDRZHLYNPBJC-FQEVSTJZSA-N 1 0 420.557 3.805 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000544920648 1010494042 /nfs/dbraw/zinc/49/40/42/1010494042.db2.gz MPWJXLWDWFDWIB-UHFFFAOYSA-N 1 0 404.518 3.845 20 30 HHEDRO COC1CCN(C2(C[NH2+][C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CCCC2)CC1 ZINC000521689149 1010553410 /nfs/dbraw/zinc/55/34/10/1010553410.db2.gz GTEHWYLNQKNBJB-MRXNPFEDSA-N 1 0 418.969 3.552 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000521805604 1010632006 /nfs/dbraw/zinc/63/20/06/1010632006.db2.gz MGZFEEQABMJLMQ-MSOLQXFVSA-N 1 0 416.591 3.790 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccc(C#N)cc1 ZINC000551565606 1010664661 /nfs/dbraw/zinc/66/46/61/1010664661.db2.gz VGUWXEWEBYQVSZ-QGZVFWFLSA-N 1 0 419.266 3.842 20 30 HHEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC3 ZINC000545191907 1010678814 /nfs/dbraw/zinc/67/88/14/1010678814.db2.gz XRHLOEPOZLNLKL-BXKMTCNYSA-N 1 0 414.509 3.691 20 30 HHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)N[C@@H](CCCC#N)c3ccccc3)cccc21 ZINC000551598605 1010686705 /nfs/dbraw/zinc/68/67/05/1010686705.db2.gz IJZJNPAVIMVRFL-FPOVZHCZSA-N 1 0 420.513 3.562 20 30 HHEDRO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000545247260 1010701961 /nfs/dbraw/zinc/70/19/61/1010701961.db2.gz HXCVTLOCDWMPGF-OAHLLOKOSA-N 1 0 400.400 3.721 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC000551721735 1010761810 /nfs/dbraw/zinc/76/18/10/1010761810.db2.gz GJZUDINULSOZRM-UHFFFAOYSA-N 1 0 401.535 3.906 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)CC1 ZINC000522484837 1011040543 /nfs/dbraw/zinc/04/05/43/1011040543.db2.gz HCAYCSMFOJCVNO-IBGZPJMESA-N 1 0 421.541 3.922 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540575904 1011233611 /nfs/dbraw/zinc/23/36/11/1011233611.db2.gz XQAWWKZRZHGEEL-UWJYYQICSA-N 1 0 405.926 3.607 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000540591683 1011248631 /nfs/dbraw/zinc/24/86/31/1011248631.db2.gz KJZZEPXMEQKETR-DHIUTWEWSA-N 1 0 408.521 3.584 20 30 HHEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000522925482 1011369894 /nfs/dbraw/zinc/36/98/94/1011369894.db2.gz YTOFWTIYONNWLF-UHFFFAOYSA-N 1 0 413.905 3.581 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1c1ccccc1 ZINC000536225452 1011372937 /nfs/dbraw/zinc/37/29/37/1011372937.db2.gz KYPYXXPZXUENFJ-ICOILDSSSA-N 1 0 418.541 3.993 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000523053542 1011523085 /nfs/dbraw/zinc/52/30/85/1011523085.db2.gz VDQXWNBKYWTTBA-ROUUACIJSA-N 1 0 420.513 3.668 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000536375784 1011585024 /nfs/dbraw/zinc/58/50/24/1011585024.db2.gz YHPLDTGXNXACRO-YADHBBJMSA-N 1 0 411.505 3.590 20 30 HHEDRO Cc1cc(NC(=O)N2CCC(CC#N)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000541040366 1011677712 /nfs/dbraw/zinc/67/77/12/1011677712.db2.gz ALSBTLXYDXPFHM-NRFANRHFSA-N 1 0 406.534 3.796 20 30 HHEDRO COc1ccccc1[C@@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541054442 1011695225 /nfs/dbraw/zinc/69/52/25/1011695225.db2.gz NPGFWVAJNZGBTG-GOSISDBHSA-N 1 0 413.543 3.549 20 30 HHEDRO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000541094794 1011739397 /nfs/dbraw/zinc/73/93/97/1011739397.db2.gz BIWYVMHDQWUQCZ-UHFFFAOYSA-N 1 0 408.424 3.976 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000541117003 1011768524 /nfs/dbraw/zinc/76/85/24/1011768524.db2.gz IMHBIBROTHEGSN-QZXCRCNTSA-N 1 0 403.935 3.675 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129160 1011786294 /nfs/dbraw/zinc/78/62/94/1011786294.db2.gz UMWDXBZBUJMJBL-MSOLQXFVSA-N 1 0 409.452 3.707 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541129162 1011787277 /nfs/dbraw/zinc/78/72/77/1011787277.db2.gz UMWDXBZBUJMJBL-ROUUACIJSA-N 1 0 409.452 3.707 20 30 HHEDRO C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541156971 1011817474 /nfs/dbraw/zinc/81/74/74/1011817474.db2.gz MMENMFFILPSKHW-TZIWHRDSSA-N 1 0 418.541 3.650 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000536670836 1011827208 /nfs/dbraw/zinc/82/72/08/1011827208.db2.gz MBQGXOLZCWJBEY-HNNXBMFYSA-N 1 0 420.351 3.821 20 30 HHEDRO Cn1cc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000551734725 1011895175 /nfs/dbraw/zinc/89/51/75/1011895175.db2.gz ZCWVQFNMKPIZHA-UHFFFAOYSA-N 1 0 407.468 3.949 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)cc1 ZINC000552031378 1012056646 /nfs/dbraw/zinc/05/66/46/1012056646.db2.gz ZSPFCJIIWYFZER-HXUWFJFHSA-N 1 0 408.498 3.518 20 30 HHEDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1OC ZINC000552282059 1012293587 /nfs/dbraw/zinc/29/35/87/1012293587.db2.gz TZAFKCZOLMBWNN-IERDGZPVSA-N 1 0 407.514 3.600 20 30 HHEDRO N#Cc1ccc(N2CCC(Nc3ccccc3C[NH+]3CCC(CO)CC3)CC2)cc1 ZINC000552289780 1012301350 /nfs/dbraw/zinc/30/13/50/1012301350.db2.gz KEHOGWMZLUCANG-UHFFFAOYSA-N 1 0 404.558 3.843 20 30 HHEDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1F ZINC000552321200 1012330743 /nfs/dbraw/zinc/33/07/43/1012330743.db2.gz LWNFWTJCYWGHGY-LLVKDONJSA-N 1 0 416.305 3.633 20 30 HHEDRO CC[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000537051708 1012378796 /nfs/dbraw/zinc/37/87/96/1012378796.db2.gz FMFIPFWEFJDXGN-JOCHJYFZSA-N 1 0 407.514 3.679 20 30 HHEDRO C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599719 1012393204 /nfs/dbraw/zinc/39/32/04/1012393204.db2.gz KMOWWZFJTQRJTM-PMPSAXMXSA-N 1 0 400.592 3.678 20 30 HHEDRO C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601600 1012396971 /nfs/dbraw/zinc/39/69/71/1012396971.db2.gz IVPKBBHOYDQDMS-ZWKOTPCHSA-N 1 0 402.970 3.829 20 30 HHEDRO C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601599 1012397380 /nfs/dbraw/zinc/39/73/80/1012397380.db2.gz IVPKBBHOYDQDMS-ROUUACIJSA-N 1 0 402.970 3.829 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)ccc1OCC(C)C ZINC000537067697 1012407456 /nfs/dbraw/zinc/40/74/56/1012407456.db2.gz BAUBWWHVHLYJGE-QGZVFWFLSA-N 1 0 416.543 3.726 20 30 HHEDRO C[C@@H](NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000523905276 1012619671 /nfs/dbraw/zinc/61/96/71/1012619671.db2.gz MADGKVZBUHTMRM-IAGOWNOFSA-N 1 0 409.509 3.571 20 30 HHEDRO CC(C)NC(=O)Nc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000541909431 1012768700 /nfs/dbraw/zinc/76/87/00/1012768700.db2.gz GEPNPIPVQXEHBM-UHFFFAOYSA-N 1 0 405.546 3.842 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000552762863 1012771113 /nfs/dbraw/zinc/77/11/13/1012771113.db2.gz NHJHHIUDFNNGAE-UHFFFAOYSA-N 1 0 423.557 3.529 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000552768599 1012775653 /nfs/dbraw/zinc/77/56/53/1012775653.db2.gz SQJCNRTVMZFKRW-UHFFFAOYSA-N 1 0 419.569 3.894 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000524046811 1012797730 /nfs/dbraw/zinc/79/77/30/1012797730.db2.gz LGDMJFWQOGFXTL-HSZRJFAPSA-N 1 0 408.546 3.582 20 30 HHEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000524150692 1012937811 /nfs/dbraw/zinc/93/78/11/1012937811.db2.gz UYVULHFVIGBMLO-UHFFFAOYSA-N 1 0 416.576 3.696 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[NH+](C)C ZINC000552988245 1012965584 /nfs/dbraw/zinc/96/55/84/1012965584.db2.gz QRGLHYKQKIOJRI-LJQANCHMSA-N 1 0 404.986 3.911 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(OC)c(OC)cc2F)no1 ZINC001211975373 1071829056 /nfs/dbraw/zinc/82/90/56/1071829056.db2.gz FNHKFFOTZNRCRS-PBHICJAKSA-N 1 0 407.486 3.971 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000729811922 1072127252 /nfs/dbraw/zinc/12/72/52/1072127252.db2.gz GOYFCCQZSMADHB-NRFANRHFSA-N 1 0 416.477 3.868 20 30 HHEDRO COc1cccc(N2CCN(C(NCc3cc4ccccc4[nH]3)=[NH+]C3CC3)CC2)c1 ZINC000911600926 1072212651 /nfs/dbraw/zinc/21/26/51/1072212651.db2.gz ALXYRZJMKXPMGM-UHFFFAOYSA-N 1 0 403.530 3.607 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](CO)c3ccc(Br)cc3)CC2)cc1 ZINC000586791385 1072442269 /nfs/dbraw/zinc/44/22/69/1072442269.db2.gz HOFYNRDHCGOXFT-FQEVSTJZSA-N 1 0 400.320 3.613 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000586791927 1072442842 /nfs/dbraw/zinc/44/28/42/1072442842.db2.gz RBZKUFIUEMUCBZ-NHCUHLMSSA-N 1 0 403.448 3.651 20 30 HHEDRO COC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)NC2CCC([NH+](C)C)CC2)cc1 ZINC001168304309 1072471968 /nfs/dbraw/zinc/47/19/68/1072471968.db2.gz VMDBFUNPMSMXDU-UHFFFAOYSA-N 1 0 403.523 3.617 20 30 HHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@H]4CCN([C@@H]5CC[NH2+]C5)C4)n3)cc2)cc1 ZINC001212112105 1072492835 /nfs/dbraw/zinc/49/28/35/1072492835.db2.gz CHIYZWUJWQBZSD-RBUKOAKNSA-N 1 0 401.470 3.552 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1C1CCOCC1 ZINC001625995986 1072507529 /nfs/dbraw/zinc/50/75/29/1072507529.db2.gz AVYIVIKXEIPNAC-UHFFFAOYSA-N 1 0 408.546 3.532 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H](C[NH+]3CCCCC3)c3ccccc3)C2)c(F)c1 ZINC000587121349 1072512180 /nfs/dbraw/zinc/51/21/80/1072512180.db2.gz UQATYCXPJJDRFZ-GMAHTHKFSA-N 1 0 420.532 3.867 20 30 HHEDRO CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001691597039 1072513797 /nfs/dbraw/zinc/51/37/97/1072513797.db2.gz UVEAYJYJKNAWIB-IEBWSBKVSA-N 1 0 400.596 3.789 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000571474126 1072631212 /nfs/dbraw/zinc/63/12/12/1072631212.db2.gz CWWJWWILASFJGA-IFXJQAMLSA-N 1 0 403.404 3.955 20 30 HHEDRO C[C@@H](NC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(C#N)c1 ZINC000587690746 1072654830 /nfs/dbraw/zinc/65/48/30/1072654830.db2.gz YUMUULLITQQRBQ-MOPGFXCFSA-N 1 0 418.541 3.515 20 30 HHEDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000571787539 1072854831 /nfs/dbraw/zinc/85/48/31/1072854831.db2.gz UWOGJRLPCLTTRD-UHFFFAOYSA-N 1 0 410.493 3.512 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[NH+](C)C)cc1 ZINC000588664859 1073081968 /nfs/dbraw/zinc/08/19/68/1073081968.db2.gz CYHPSNYTFFMRHZ-DHIUTWEWSA-N 1 0 406.530 3.935 20 30 HHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000555176309 1073235823 /nfs/dbraw/zinc/23/58/23/1073235823.db2.gz KUGGJLNPSQDAFB-FQEVSTJZSA-N 1 0 412.559 3.615 20 30 HHEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000555242208 1073285272 /nfs/dbraw/zinc/28/52/72/1073285272.db2.gz GMLAEQDMTUFBJT-UHFFFAOYSA-N 1 0 418.570 3.700 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000555265038 1073297072 /nfs/dbraw/zinc/29/70/72/1073297072.db2.gz CWVQOVMNQLZTDH-UHFFFAOYSA-N 1 0 419.577 3.603 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000555265322 1073298533 /nfs/dbraw/zinc/29/85/33/1073298533.db2.gz HSPBBFUXTZOKCT-TZIWHRDSSA-N 1 0 401.599 3.839 20 30 HHEDRO CC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000760711938 1073303849 /nfs/dbraw/zinc/30/38/49/1073303849.db2.gz DHAXCSQXBKIOFG-DQEYMECFSA-N 1 0 406.574 3.806 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000555285968 1073308467 /nfs/dbraw/zinc/30/84/67/1073308467.db2.gz AKMSHQSTHDKHCI-SFHVURJKSA-N 1 0 404.436 3.655 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000555274614 1073313761 /nfs/dbraw/zinc/31/37/61/1073313761.db2.gz YKSLMULOIWZSFM-OAQYLSRUSA-N 1 0 420.561 3.617 20 30 HHEDRO CC(=O)NCC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CCSCC1 ZINC000555368313 1073376577 /nfs/dbraw/zinc/37/65/77/1073376577.db2.gz XFCZBLAZENWHGY-UHFFFAOYSA-N 1 0 423.582 3.971 20 30 HHEDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 ZINC000555435038 1073468143 /nfs/dbraw/zinc/46/81/43/1073468143.db2.gz BTYRHRAEOJKGDD-UHFFFAOYSA-N 1 0 406.559 3.705 20 30 HHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(F)c(Br)c1 ZINC000590192831 1073637499 /nfs/dbraw/zinc/63/74/99/1073637499.db2.gz HFEUHGQHIURLFY-CZUORRHYSA-N 1 0 407.283 3.745 20 30 HHEDRO C[NH+](C)Cc1ccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cn1 ZINC001143607971 1073727432 /nfs/dbraw/zinc/72/74/32/1073727432.db2.gz UOQOUMKIKKLRMO-HSZRJFAPSA-N 1 0 400.482 3.717 20 30 HHEDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000590386576 1073749278 /nfs/dbraw/zinc/74/92/78/1073749278.db2.gz BIDRFIUTJKASSE-GOSISDBHSA-N 1 0 405.498 3.676 20 30 HHEDRO C=CCCCCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000555765369 1073806871 /nfs/dbraw/zinc/80/68/71/1073806871.db2.gz XIHOFUFJXPPBDR-UHFFFAOYSA-N 1 0 405.970 3.625 20 30 HHEDRO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591415175 1074281074 /nfs/dbraw/zinc/28/10/74/1074281074.db2.gz GVOBNOUPQMMRBJ-UHFFFAOYSA-N 1 0 418.585 3.893 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)CC1 ZINC000592076539 1074688232 /nfs/dbraw/zinc/68/82/32/1074688232.db2.gz CXHXNRKQMOYFFV-UHFFFAOYSA-N 1 0 406.452 3.970 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000592336191 1074731101 /nfs/dbraw/zinc/73/11/01/1074731101.db2.gz YLODUNQDJWCGQA-UHFFFAOYSA-N 1 0 424.520 3.918 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2OC(F)F)CC1 ZINC000592514611 1074777754 /nfs/dbraw/zinc/77/77/54/1074777754.db2.gz PKPSIDCALVNBPU-UHFFFAOYSA-N 1 0 418.282 3.500 20 30 HHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)[C@@H](C)C3)sc2C1 ZINC000761068174 1075338532 /nfs/dbraw/zinc/33/85/32/1075338532.db2.gz HDEIBFXMTMKOKB-HOTGVXAUSA-N 1 0 402.608 3.735 20 30 HHEDRO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000575111319 1075480219 /nfs/dbraw/zinc/48/02/19/1075480219.db2.gz HXJJIMKLDAGIRJ-HNNXBMFYSA-N 1 0 410.461 3.914 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)c1 ZINC000596842814 1075586068 /nfs/dbraw/zinc/58/60/68/1075586068.db2.gz XVRZEZBMUFVPEN-UHFFFAOYSA-N 1 0 417.513 3.771 20 30 HHEDRO COc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c(C#N)c(Cl)n1 ZINC001164618326 719046454 /nfs/dbraw/zinc/04/64/54/719046454.db2.gz ANIFBEMOLJQYLF-PXNSSMCTSA-N 1 0 418.875 3.744 20 30 HHEDRO N#CC1(c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2)CCC1 ZINC001164696587 719892091 /nfs/dbraw/zinc/89/20/91/719892091.db2.gz GALLHMGIHHPXTO-UHFFFAOYSA-N 1 0 408.571 3.960 20 30 HHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164712012 720098818 /nfs/dbraw/zinc/09/88/18/720098818.db2.gz UBYKVXRRNQABMN-SFHVURJKSA-N 1 0 411.937 3.509 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C#C[Si](C)(C)C)C2 ZINC001164815054 720150694 /nfs/dbraw/zinc/15/06/94/720150694.db2.gz HPUJFFLIHQWGRO-LADGPHEKSA-N 1 0 411.666 3.804 20 30 HHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1 ZINC001164721676 720338960 /nfs/dbraw/zinc/33/89/60/720338960.db2.gz CZHJSFWMTTWPSX-QPTUXGOLSA-N 1 0 410.525 3.689 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1C#N)[C@H]2C ZINC001164863176 720948320 /nfs/dbraw/zinc/94/83/20/720948320.db2.gz YNYFTXJCIHXYGC-ZDUSSCGKSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900085 721526361 /nfs/dbraw/zinc/52/63/61/721526361.db2.gz NWYFKYGETNCZFI-GOEBONIOSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912405 721536397 /nfs/dbraw/zinc/53/63/97/721536397.db2.gz ZPKHVUKKDWNFAK-RDJZCZTQSA-N 1 0 422.838 3.633 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3c(cc2C#N)CCC3)CC1 ZINC001165021987 721843444 /nfs/dbraw/zinc/84/34/44/721843444.db2.gz LHYDDIZJZZFGNT-UHFFFAOYSA-N 1 0 406.530 3.560 20 30 HHEDRO CC[NH+](CC)C1CCN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)CC1 ZINC001165053660 722007611 /nfs/dbraw/zinc/00/76/11/722007611.db2.gz CIWKGEYXAWKZRT-UHFFFAOYSA-N 1 0 411.806 3.876 20 30 HHEDRO CC[NH+]1CCN(Cc2ccccc2CNc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000301251139 970832250 /nfs/dbraw/zinc/83/22/50/970832250.db2.gz CBLBOYFPCWDOTN-UHFFFAOYSA-N 1 0 403.452 3.722 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000301566405 970982194 /nfs/dbraw/zinc/98/21/94/970982194.db2.gz WJZHUPHEDMBDHZ-UHFFFAOYSA-N 1 0 411.525 3.593 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301875038 971094946 /nfs/dbraw/zinc/09/49/46/971094946.db2.gz MBRIVARLUAXRNX-ROUUACIJSA-N 1 0 424.451 3.755 20 30 HHEDRO C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000303157657 971533184 /nfs/dbraw/zinc/53/31/84/971533184.db2.gz OGNXNNWGHFBIIY-MRXNPFEDSA-N 1 0 419.447 3.935 20 30 HHEDRO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000303157655 971533603 /nfs/dbraw/zinc/53/36/03/971533603.db2.gz OGNXNNWGHFBIIY-INIZCTEOSA-N 1 0 419.447 3.935 20 30 HHEDRO COc1ccccc1C[C@@H](C)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303282413 971597163 /nfs/dbraw/zinc/59/71/63/971597163.db2.gz IYLXURYOKPTOIG-HXUWFJFHSA-N 1 0 405.542 3.870 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000303313978 971622277 /nfs/dbraw/zinc/62/22/77/971622277.db2.gz SYSMLEVCTXNBEX-MRXNPFEDSA-N 1 0 424.372 3.612 20 30 HHEDRO CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)CC1 ZINC000303376799 971669323 /nfs/dbraw/zinc/66/93/23/971669323.db2.gz MVZGWCYYOYWWCB-UHFFFAOYSA-N 1 0 416.569 3.601 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000303425852 971707295 /nfs/dbraw/zinc/70/72/95/971707295.db2.gz ZOIBLMSHAZQFOT-GOSISDBHSA-N 1 0 402.608 3.931 20 30 HHEDRO N#CCOc1ccc(CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC000303542399 971842095 /nfs/dbraw/zinc/84/20/95/971842095.db2.gz URWJTKUCJYZWDV-UHFFFAOYSA-N 1 0 411.933 3.909 20 30 HHEDRO CC1CCC([NH+]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)CC1 ZINC000303720074 971975327 /nfs/dbraw/zinc/97/53/27/971975327.db2.gz RKAOURNWDIJMBA-UHFFFAOYSA-N 1 0 400.592 3.633 20 30 HHEDRO CC(C)C(=O)Nc1ccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000303774552 972020796 /nfs/dbraw/zinc/02/07/96/972020796.db2.gz GABBYHMNYBZVHW-UHFFFAOYSA-N 1 0 413.953 3.571 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303788955 972028337 /nfs/dbraw/zinc/02/83/37/972028337.db2.gz JPVGPWSHBNHPFZ-QFBILLFUSA-N 1 0 417.962 3.885 20 30 HHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000553183345 1013141276 /nfs/dbraw/zinc/14/12/76/1013141276.db2.gz LUAGNEZVILBAOM-UHFFFAOYSA-N 1 0 418.463 3.853 20 30 HHEDRO [NH2+]=C(NCCc1ccccc1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000303863659 972405900 /nfs/dbraw/zinc/40/59/00/972405900.db2.gz AKZXFFMSMNXEDQ-UHFFFAOYSA-N 1 0 405.464 3.901 20 30 HHEDRO [NH2+]=C(NCc1ccc(OCC(F)(F)F)nc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303868886 972410144 /nfs/dbraw/zinc/41/01/44/972410144.db2.gz AOSDVZFIXLRRLZ-UHFFFAOYSA-N 1 0 408.302 3.848 20 30 HHEDRO CC(C)(C)OC(=O)N1CCC(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000303880268 972420499 /nfs/dbraw/zinc/42/04/99/972420499.db2.gz HBJLFURPTQOISO-UHFFFAOYSA-N 1 0 416.444 3.959 20 30 HHEDRO [NH2+]=C(NCCC(=O)Nc1ccc(Br)cc1)Nc1ccc2c(c1)CCC2 ZINC000303877620 972418459 /nfs/dbraw/zinc/41/84/59/972418459.db2.gz IUQMXPODDPBFAA-UHFFFAOYSA-N 1 0 401.308 3.693 20 30 HHEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303882594 972423441 /nfs/dbraw/zinc/42/34/41/972423441.db2.gz LPFZXUIMBDVWRK-QRVBRYPASA-N 1 0 402.583 3.555 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000303896620 972435018 /nfs/dbraw/zinc/43/50/18/972435018.db2.gz UPWFABAVLSMRRS-ZDUSSCGKSA-N 1 0 417.815 3.534 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000303900092 972437173 /nfs/dbraw/zinc/43/71/73/972437173.db2.gz WNINDMVGMRKRRT-MRXNPFEDSA-N 1 0 411.424 3.659 20 30 HHEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000303904657 972474713 /nfs/dbraw/zinc/47/47/13/972474713.db2.gz YXQLQZNZFQYLLV-KXBFYZLASA-N 1 0 418.632 3.509 20 30 HHEDRO Cc1cc(C#N)nc(Sc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)n1 ZINC000553246310 1013212616 /nfs/dbraw/zinc/21/26/16/1013212616.db2.gz PUPLKLHZJQNVQP-UHFFFAOYSA-N 1 0 422.558 3.637 20 30 HHEDRO COc1ccc(NC(=S)C(C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)cc1 ZINC000006896576 960949516 /nfs/dbraw/zinc/94/95/16/960949516.db2.gz KNJNJHDAWGRWNM-UHFFFAOYSA-O 1 0 408.459 3.942 20 30 HHEDRO COc1cccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c1 ZINC000007493568 961215986 /nfs/dbraw/zinc/21/59/86/961215986.db2.gz KPAGRWJDIYSUNX-UHFFFAOYSA-N 1 0 424.570 3.658 20 30 HHEDRO CC1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553287132 1013243060 /nfs/dbraw/zinc/24/30/60/1013243060.db2.gz BTLKEEVEAGMDCB-HXUWFJFHSA-N 1 0 414.981 3.905 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(CC2CCCCC2)CC2CCCCC2)CC1 ZINC000553330180 1013279744 /nfs/dbraw/zinc/27/97/44/1013279744.db2.gz ZQPVAMSHDFJHCV-UHFFFAOYSA-N 1 0 403.611 3.742 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553409365 1013335074 /nfs/dbraw/zinc/33/50/74/1013335074.db2.gz XRVBLJKKAYVSCF-MRXNPFEDSA-N 1 0 411.775 3.580 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)on2)c1 ZINC000553458950 1013371068 /nfs/dbraw/zinc/37/10/68/1013371068.db2.gz DZKSUVCEYRLKDW-RUZDIDTESA-N 1 0 412.493 3.951 20 30 HHEDRO COc1ccc([C@H](CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)[NH+]2CCCC2)cc1 ZINC000017911737 963241113 /nfs/dbraw/zinc/24/11/13/963241113.db2.gz LPNCJEWNGUKLLM-NRFANRHFSA-N 1 0 418.497 3.826 20 30 HHEDRO Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000022360927 963637958 /nfs/dbraw/zinc/63/79/58/963637958.db2.gz BQCZUCDZJHDBTK-GOSISDBHSA-N 1 0 408.571 3.832 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)sc1C)C(=S)NC[C@H]1CCCO1 ZINC000022692285 963699558 /nfs/dbraw/zinc/69/95/58/963699558.db2.gz BJDMJBYLCCKRNE-QGZVFWFLSA-O 1 0 403.593 3.922 20 30 HHEDRO COc1cccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2cccc(CO)c2)c1 ZINC000022728452 963704195 /nfs/dbraw/zinc/70/41/95/963704195.db2.gz HIETYRGZXLTSEH-UHFFFAOYSA-O 1 0 413.544 3.896 20 30 HHEDRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000022734940 963705694 /nfs/dbraw/zinc/70/56/94/963705694.db2.gz WOHYTDAYPIZCAQ-UHFFFAOYSA-O 1 0 406.487 3.653 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000022850682 963728510 /nfs/dbraw/zinc/72/85/10/963728510.db2.gz OAYYZLCCKMVMLE-UHFFFAOYSA-N 1 0 407.905 3.970 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCOc3cccc(Br)c3)CC2)cc1 ZINC000022850293 963728560 /nfs/dbraw/zinc/72/85/60/963728560.db2.gz MWSGHRZSZQAPDK-UHFFFAOYSA-N 1 0 414.347 3.907 20 30 HHEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cccc21 ZINC000553546412 1013441574 /nfs/dbraw/zinc/44/15/74/1013441574.db2.gz RHGXMUFGKBVDBZ-OXJNMPFZSA-N 1 0 408.477 3.548 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1OC ZINC000025261613 964220637 /nfs/dbraw/zinc/22/06/37/964220637.db2.gz QLPDKKKRMTWPGU-HNNXBMFYSA-N 1 0 420.303 3.952 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c1C ZINC000051508288 964597496 /nfs/dbraw/zinc/59/74/96/964597496.db2.gz KALFSWNYMGXEMQ-UHFFFAOYSA-N 1 0 404.558 3.758 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051759517 964690187 /nfs/dbraw/zinc/69/01/87/964690187.db2.gz FMUAEJZBNDTFJM-UHFFFAOYSA-N 1 0 411.015 3.658 20 30 HHEDRO N#Cc1ccccc1OCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000052834008 964996775 /nfs/dbraw/zinc/99/67/75/964996775.db2.gz JKSCWFHDTCMDNX-UHFFFAOYSA-N 1 0 401.304 3.995 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cnn(-c2ccccc2)c1 ZINC000054428480 965513361 /nfs/dbraw/zinc/51/33/61/965513361.db2.gz FRWOFBXYQSCONW-UHFFFAOYSA-N 1 0 405.527 3.755 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Br)o1 ZINC000030217418 965634647 /nfs/dbraw/zinc/63/46/47/965634647.db2.gz XPTZJPDIYYJJBJ-UHFFFAOYSA-N 1 0 408.321 3.925 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccccc1Br ZINC000055388369 965837735 /nfs/dbraw/zinc/83/77/35/965837735.db2.gz ZWJLRVJFWLOMKM-UHFFFAOYSA-N 1 0 414.347 3.844 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(OC)c1 ZINC000055472076 965879874 /nfs/dbraw/zinc/87/98/74/965879874.db2.gz JJJZYFMIPLYKNF-QFIPXVFZSA-N 1 0 409.526 3.758 20 30 HHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)C1 ZINC000553784903 1013612774 /nfs/dbraw/zinc/61/27/74/1013612774.db2.gz RSJOPAOEVZTRNV-AXHZCLLHSA-N 1 0 403.526 3.940 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000058954306 965971302 /nfs/dbraw/zinc/97/13/02/965971302.db2.gz RWKCQOYVUJMKLU-LJQANCHMSA-N 1 0 421.589 3.895 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000059406774 966022393 /nfs/dbraw/zinc/02/23/93/966022393.db2.gz DADUEFKRKPYDTE-RTBURBONSA-N 1 0 421.541 3.740 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000059406771 966022907 /nfs/dbraw/zinc/02/29/07/966022907.db2.gz DADUEFKRKPYDTE-OALUTQOASA-N 1 0 421.541 3.740 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000060090211 966060058 /nfs/dbraw/zinc/06/00/58/966060058.db2.gz KVWLBXNRFKQKBO-FQEVSTJZSA-N 1 0 405.502 3.563 20 30 HHEDRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477495 966163553 /nfs/dbraw/zinc/16/35/53/966163553.db2.gz HMVDMBPBUJUDSN-WIYYLYMNSA-N 1 0 407.514 3.630 20 30 HHEDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 ZINC000032057593 966185421 /nfs/dbraw/zinc/18/54/21/966185421.db2.gz CYFPQUHAHGSWPZ-QZTJIDSGSA-N 1 0 409.555 3.939 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000032057594 966185502 /nfs/dbraw/zinc/18/55/02/966185502.db2.gz CYFPQUHAHGSWPZ-HDICACEKSA-N 1 0 409.555 3.939 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)c3ccccc3F)c2)c1 ZINC000060527170 966191953 /nfs/dbraw/zinc/19/19/53/966191953.db2.gz HPALYBMVFPLTIJ-UHFFFAOYSA-N 1 0 403.457 3.796 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000060756527 966278683 /nfs/dbraw/zinc/27/86/83/966278683.db2.gz MTQKJLVFPORUKI-UHFFFAOYSA-N 1 0 418.371 3.679 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000538064206 1013640231 /nfs/dbraw/zinc/64/02/31/1013640231.db2.gz OBEBKDORPRIBRP-UHFFFAOYSA-N 1 0 420.557 3.914 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000056562034 966374779 /nfs/dbraw/zinc/37/47/79/966374779.db2.gz VNYBLLJUTZMSKM-UHFFFAOYSA-N 1 0 408.546 3.976 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000056596801 966388315 /nfs/dbraw/zinc/38/83/15/966388315.db2.gz JMPUYFMAMPUONJ-HDICACEKSA-N 1 0 408.502 3.971 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000041167550 966526966 /nfs/dbraw/zinc/52/69/66/966526966.db2.gz ADKRQWPHGUJVIT-OAQYLSRUSA-N 1 0 419.573 3.829 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000041377927 966553504 /nfs/dbraw/zinc/55/35/04/966553504.db2.gz CJTYMYNNNYPPTN-UHFFFAOYSA-N 1 0 412.493 3.542 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cccc(C#N)c1 ZINC000062485214 966688255 /nfs/dbraw/zinc/68/82/55/966688255.db2.gz WKTNTTYVLNVFJA-UHFFFAOYSA-N 1 0 404.436 3.850 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000062603665 966716401 /nfs/dbraw/zinc/71/64/01/966716401.db2.gz HBXYKYLUEZQBCM-UHFFFAOYSA-N 1 0 405.542 3.868 20 30 HHEDRO C=CCc1ccc(OCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000063081111 966748605 /nfs/dbraw/zinc/74/86/05/966748605.db2.gz GYJPREPALXHQGM-UHFFFAOYSA-N 1 0 408.542 3.831 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000042564588 966800969 /nfs/dbraw/zinc/80/09/69/966800969.db2.gz WOUFEXZJZWITIS-QHCPKHFHSA-N 1 0 418.585 3.799 20 30 HHEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643697 966818837 /nfs/dbraw/zinc/81/88/37/966818837.db2.gz SYAAFSIRXFJCHV-RTWAWAEBSA-N 1 0 404.558 3.640 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000063400419 966843983 /nfs/dbraw/zinc/84/39/83/966843983.db2.gz ZKJIBRBZPOLCIA-NRFANRHFSA-N 1 0 412.490 3.604 20 30 HHEDRO CC(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000043105288 966905978 /nfs/dbraw/zinc/90/59/78/966905978.db2.gz BFHKXHNAPXNQSU-QFIPXVFZSA-N 1 0 418.545 3.905 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538130538 1013692769 /nfs/dbraw/zinc/69/27/69/1013692769.db2.gz BFXNIJQCUNAXBT-SFHVURJKSA-N 1 0 404.514 3.932 20 30 HHEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064140932 967063018 /nfs/dbraw/zinc/06/30/18/967063018.db2.gz OOJXPKFJLVXUAQ-INIZCTEOSA-N 1 0 409.711 3.846 20 30 HHEDRO CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361773 967155553 /nfs/dbraw/zinc/15/55/53/967155553.db2.gz NUROGEKCYPDWQK-UHFFFAOYSA-N 1 0 418.545 3.987 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000064390874 967167407 /nfs/dbraw/zinc/16/74/07/967167407.db2.gz KEANLFOMHRFGMQ-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1C ZINC000047011559 968031170 /nfs/dbraw/zinc/03/11/70/968031170.db2.gz VHOOENRCONMDNR-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Br ZINC000047011117 968031423 /nfs/dbraw/zinc/03/14/23/968031423.db2.gz GLQVCEMYPWPFLY-UHFFFAOYSA-N 1 0 416.319 3.533 20 30 HHEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1OCC(C)C ZINC000047010758 968031668 /nfs/dbraw/zinc/03/16/68/968031668.db2.gz PQLZVMNACDWRAU-UHFFFAOYSA-N 1 0 409.530 3.806 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000047121275 968058405 /nfs/dbraw/zinc/05/84/05/968058405.db2.gz JJVOPMJWCCTYNS-GOSISDBHSA-N 1 0 407.514 3.636 20 30 HHEDRO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542941727 1013774695 /nfs/dbraw/zinc/77/46/95/1013774695.db2.gz DNJUFXWZLDIPGF-VGSWGCGISA-N 1 0 407.514 3.580 20 30 HHEDRO N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000047459836 968203221 /nfs/dbraw/zinc/20/32/21/968203221.db2.gz ZXZZOFURZMGUIG-UHFFFAOYSA-N 1 0 416.447 3.519 20 30 HHEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000047570476 968241835 /nfs/dbraw/zinc/24/18/35/968241835.db2.gz DDRUIIALGRFZOI-UHFFFAOYSA-N 1 0 404.514 3.891 20 30 HHEDRO CC1CC[NH+](CCNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000047783186 968311481 /nfs/dbraw/zinc/31/14/81/968311481.db2.gz PTROWGFMMTVBPS-UHFFFAOYSA-N 1 0 416.576 3.555 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000048121932 968439398 /nfs/dbraw/zinc/43/93/98/968439398.db2.gz ZUSVJJPHBMBDIY-UHFFFAOYSA-N 1 0 404.558 3.748 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC000065931333 968721584 /nfs/dbraw/zinc/72/15/84/968721584.db2.gz YIQUVHTVTLESML-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO COc1cc(CCC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000554178812 1013839177 /nfs/dbraw/zinc/83/91/77/1013839177.db2.gz GBSRIMKJPUEZAZ-UHFFFAOYSA-N 1 0 421.541 3.536 20 30 HHEDRO N#CCSc1ccccc1NC(=O)CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000072079587 968977362 /nfs/dbraw/zinc/97/73/62/968977362.db2.gz ARRTWMMVWNHFMH-UHFFFAOYSA-N 1 0 424.570 3.557 20 30 HHEDRO Cc1cc([C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)ccc1F ZINC000538322559 1013849147 /nfs/dbraw/zinc/84/91/47/1013849147.db2.gz CHCZZLMCZPKPGE-QFIPXVFZSA-N 1 0 403.461 3.871 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C1CCOCC1 ZINC000538325038 1013851019 /nfs/dbraw/zinc/85/10/19/1013851019.db2.gz MULQJHRULPBPHB-QFIPXVFZSA-N 1 0 408.546 3.758 20 30 HHEDRO Cc1cccc(C)c1NC(=O)[C@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000097571273 969164748 /nfs/dbraw/zinc/16/47/48/969164748.db2.gz UDTXCEOEFIUJTN-IBGZPJMESA-N 1 0 408.546 3.953 20 30 HHEDRO CC(=O)c1ccc(NC(=O)[C@@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000097571500 969165983 /nfs/dbraw/zinc/16/59/83/969165983.db2.gz HEIASSXLPMLVSM-GOSISDBHSA-N 1 0 422.529 3.539 20 30 HHEDRO C[C@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000097571497 969166038 /nfs/dbraw/zinc/16/60/38/969166038.db2.gz IJWPJRVIYXQRSQ-MOPGFXCFSA-N 1 0 420.557 3.676 20 30 HHEDRO CCn1c2ccccc2nc1SCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000107876082 969341965 /nfs/dbraw/zinc/34/19/65/969341965.db2.gz ZKFUAXXIMWZHFS-UHFFFAOYSA-N 1 0 421.570 3.610 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[NH+]2CCCC2)cc1 ZINC000108467872 969387242 /nfs/dbraw/zinc/38/72/42/969387242.db2.gz RTENWOQZCZJGJO-ISKFKSNPSA-N 1 0 421.541 3.924 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000109307120 969495113 /nfs/dbraw/zinc/49/51/13/969495113.db2.gz YHYJRDXROXRJLT-URXFXBBRSA-N 1 0 405.542 3.990 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110986435 969754071 /nfs/dbraw/zinc/75/40/71/969754071.db2.gz XMGUDIBBTLRDDN-WBVHZDCISA-N 1 0 404.942 3.557 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000111176565 969794719 /nfs/dbraw/zinc/79/47/19/969794719.db2.gz CCCMFLCHLMXIMW-QHCPKHFHSA-N 1 0 417.488 3.757 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000111199928 969800536 /nfs/dbraw/zinc/80/05/36/969800536.db2.gz OOALNAZPJMAKCG-UHFFFAOYSA-N 1 0 424.589 3.828 20 30 HHEDRO N#CCCN(CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Cc1ccco1 ZINC000216465674 970074777 /nfs/dbraw/zinc/07/47/77/970074777.db2.gz BOAUKQQTAOMATK-OAQYLSRUSA-N 1 0 414.937 3.602 20 30 HHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1Br ZINC000217779990 970084831 /nfs/dbraw/zinc/08/48/31/970084831.db2.gz BQYJAZOYHUAMPA-NSHDSACASA-N 1 0 406.280 3.829 20 30 HHEDRO CC1(C)CN([C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)c2ccc(Cl)cc2)CCO1 ZINC000236689509 970155758 /nfs/dbraw/zinc/15/57/58/970155758.db2.gz XIXZXJQYQRUEOC-NRFANRHFSA-N 1 0 423.948 3.801 20 30 HHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236897788 970186133 /nfs/dbraw/zinc/18/61/33/970186133.db2.gz XLOUDXKITPCCII-HXUWFJFHSA-N 1 0 405.458 3.966 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000237240150 970247127 /nfs/dbraw/zinc/24/71/27/970247127.db2.gz XSCLMRUNYXMMLM-OALUTQOASA-N 1 0 424.541 3.799 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1OC ZINC000237268849 970251673 /nfs/dbraw/zinc/25/16/73/970251673.db2.gz CMRCJJNHUIEKQK-QGZVFWFLSA-N 1 0 406.320 3.716 20 30 HHEDRO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)COc4ccc(CC#N)cc4)CC3)c2c1 ZINC000145737979 970270461 /nfs/dbraw/zinc/27/04/61/970270461.db2.gz DKRPAHDZGAXQEG-HXUWFJFHSA-N 1 0 419.525 3.862 20 30 HHEDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]CCOc3ccc(C#N)cc3)c2)cc1 ZINC000237463779 970293295 /nfs/dbraw/zinc/29/32/95/970293295.db2.gz OYIIKIYZUDTYEU-UHFFFAOYSA-N 1 0 401.466 3.988 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)c(-c2ccccc2)n1 ZINC000237831119 970376195 /nfs/dbraw/zinc/37/61/95/970376195.db2.gz XPFKWFYADGAVOG-DEOSSOPVSA-N 1 0 415.541 3.627 20 30 HHEDRO O=C(COc1ccccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000237870301 970385782 /nfs/dbraw/zinc/38/57/82/970385782.db2.gz UHZHJIAQYVZFBE-UHFFFAOYSA-N 1 0 416.443 3.848 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000554627800 1013992856 /nfs/dbraw/zinc/99/28/56/1013992856.db2.gz GLUUDQGYEGTNJT-DEOSSOPVSA-N 1 0 419.569 3.933 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN(C)C[C@H]2CCCCO2)c1C#N ZINC000165861755 970460583 /nfs/dbraw/zinc/46/05/83/970460583.db2.gz FBFZWWCMFYIMHP-HXUWFJFHSA-N 1 0 412.509 3.603 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000247890929 970487994 /nfs/dbraw/zinc/48/79/94/970487994.db2.gz VJOPEUVTGKQQAO-UHFFFAOYSA-N 1 0 422.548 3.897 20 30 HHEDRO CC[N@@H+]1C[C@H](C)N(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@H]1C ZINC000554738597 1014035227 /nfs/dbraw/zinc/03/52/27/1014035227.db2.gz PDZNRHIPAYOBKH-SJORKVTESA-N 1 0 402.970 3.759 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1 ZINC000303970612 972557546 /nfs/dbraw/zinc/55/75/46/972557546.db2.gz CSQGEKCRUMDMHK-HXUWFJFHSA-N 1 0 416.953 3.927 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000303972693 972558783 /nfs/dbraw/zinc/55/87/83/972558783.db2.gz GBQTVKMYUPAECD-UHFFFAOYSA-N 1 0 421.463 3.901 20 30 HHEDRO [NH2+]=C(NCCc1cccs1)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000303981031 972566357 /nfs/dbraw/zinc/56/63/57/972566357.db2.gz OQLHRQYETXLZTA-UHFFFAOYSA-N 1 0 422.392 3.706 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC ZINC000303985488 972568227 /nfs/dbraw/zinc/56/82/27/972568227.db2.gz SVUHKBDHOZCTLH-OAHLLOKOSA-N 1 0 402.926 3.919 20 30 HHEDRO [NH2+]=C(NCc1cccc(C(=O)OCc2ccccc2)c1)N[C@@H]1CCOc2ccccc21 ZINC000304472495 972601689 /nfs/dbraw/zinc/60/16/89/972601689.db2.gz FFXGMMQDQOLUOW-JOCHJYFZSA-N 1 0 415.493 3.972 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc(N2CCSCC2)cc1 ZINC000304526617 972602629 /nfs/dbraw/zinc/60/26/29/972602629.db2.gz ZOFSBTMJSMBVCP-UHFFFAOYSA-N 1 0 424.492 3.743 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000304520423 972602773 /nfs/dbraw/zinc/60/27/73/972602773.db2.gz XELJJVRVNBBAAP-UHFFFAOYSA-N 1 0 408.546 3.682 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000304805186 972606637 /nfs/dbraw/zinc/60/66/37/972606637.db2.gz QXACUGFITRIXDA-CQSZACIVSA-N 1 0 414.472 3.724 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@H](CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)C2)c1 ZINC000305027306 972608236 /nfs/dbraw/zinc/60/82/36/972608236.db2.gz PSJUKZDAGUVALT-QGZVFWFLSA-N 1 0 412.534 3.744 20 30 HHEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(O[C@H]2CCOC2)c1 ZINC000305077009 972609876 /nfs/dbraw/zinc/60/98/76/972609876.db2.gz VTDBKZCVYLFJSZ-KRWDZBQOSA-N 1 0 409.408 3.988 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCC2(c3ccc(F)cc3Cl)CC2)cc1OC ZINC000305715803 972613535 /nfs/dbraw/zinc/61/35/35/972613535.db2.gz MGKPYIULGMGTQG-UHFFFAOYSA-N 1 0 405.901 3.675 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1cccs1 ZINC000409734058 973208394 /nfs/dbraw/zinc/20/83/94/973208394.db2.gz NBMWEXSISJVWIE-UTKZUKDTSA-N 1 0 405.527 3.618 20 30 HHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409766306 973242592 /nfs/dbraw/zinc/24/25/92/973242592.db2.gz DNMSAPWWSOWRHE-GOSISDBHSA-N 1 0 415.497 3.717 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409843433 973312076 /nfs/dbraw/zinc/31/20/76/973312076.db2.gz NTXGAIARXKIWNU-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC000425940243 974049941 /nfs/dbraw/zinc/04/99/41/974049941.db2.gz ASKPBEOSEPMBHP-QZTJIDSGSA-N 1 0 420.513 3.668 20 30 HHEDRO CC[N@H+](CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)CCC(F)(F)F ZINC000426004977 974119975 /nfs/dbraw/zinc/11/99/75/974119975.db2.gz RFJICQZEPIDDEO-UHFFFAOYSA-N 1 0 417.316 3.787 20 30 HHEDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+](C)C ZINC000426532554 974511330 /nfs/dbraw/zinc/51/13/30/974511330.db2.gz XFZFXTDLGPMHGZ-OAQYLSRUSA-N 1 0 422.529 3.772 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000426536637 974514003 /nfs/dbraw/zinc/51/40/03/974514003.db2.gz BVSMOKJVHYTBQR-MSOLQXFVSA-N 1 0 411.999 3.867 20 30 HHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426561914 974529210 /nfs/dbraw/zinc/52/92/10/974529210.db2.gz YMKISRVWVUDXLB-FQEVSTJZSA-N 1 0 420.513 3.670 20 30 HHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000426561915 974529382 /nfs/dbraw/zinc/52/93/82/974529382.db2.gz YMKISRVWVUDXLB-HXUWFJFHSA-N 1 0 420.513 3.670 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000428190271 975517067 /nfs/dbraw/zinc/51/70/67/975517067.db2.gz DXQZGHWXWAINKN-UHFFFAOYSA-N 1 0 420.494 3.803 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000428563599 975876344 /nfs/dbraw/zinc/87/63/44/975876344.db2.gz ZSHZPDTYJZTVAN-ISKFKSNPSA-N 1 0 404.489 3.859 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000428801525 976079273 /nfs/dbraw/zinc/07/92/73/976079273.db2.gz HWGBRRVZFMJYIL-VWNXMTODSA-N 1 0 415.493 3.513 20 30 HHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@@H](C)C1 ZINC000428988721 976270198 /nfs/dbraw/zinc/27/01/98/976270198.db2.gz CBMHHZOCSBJDHG-PDOICOKGSA-N 1 0 414.619 3.735 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429035364 976318283 /nfs/dbraw/zinc/31/82/83/976318283.db2.gz LSMYAISLIKMBOF-DEOSSOPVSA-N 1 0 420.557 3.769 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1OCCc2sccc21 ZINC000429192802 976482356 /nfs/dbraw/zinc/48/23/56/976482356.db2.gz SBCXRQVCPBASQH-JLTOFOAXSA-N 1 0 422.472 3.527 20 30 HHEDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000429246493 976535525 /nfs/dbraw/zinc/53/55/25/976535525.db2.gz GRTMFTVACLBMPR-OAHLLOKOSA-N 1 0 412.534 3.787 20 30 HHEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000429286080 976568414 /nfs/dbraw/zinc/56/84/14/976568414.db2.gz QKZYFAAKBFSKDL-FQEVSTJZSA-N 1 0 412.331 3.850 20 30 HHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000429395042 976669348 /nfs/dbraw/zinc/66/93/48/976669348.db2.gz AYFOSXMGVXPVHS-UKILVPOCSA-N 1 0 412.622 3.706 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000429491764 976750209 /nfs/dbraw/zinc/75/02/09/976750209.db2.gz MQSQTEUNYFVOLY-WOJBJXKFSA-N 1 0 415.578 3.672 20 30 HHEDRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000429529118 976789589 /nfs/dbraw/zinc/78/95/89/976789589.db2.gz OKTHJMKKWPQLKO-LJQANCHMSA-N 1 0 419.573 3.582 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429595046 976872653 /nfs/dbraw/zinc/87/26/53/976872653.db2.gz UHCZAASVYWSXER-RTBURBONSA-N 1 0 407.562 3.950 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1C#N ZINC000429723560 977013776 /nfs/dbraw/zinc/01/37/76/977013776.db2.gz NQTHJKRTRVSDFT-PTUXOGIPSA-N 1 0 418.541 3.842 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429771686 977058556 /nfs/dbraw/zinc/05/85/56/977058556.db2.gz NDFUOSYWKBILNC-CEWLAPEOSA-N 1 0 408.949 3.647 20 30 HHEDRO Cn1cc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)Cc2ccc(Cl)cc2)cn1 ZINC000430259272 977426501 /nfs/dbraw/zinc/42/65/01/977426501.db2.gz AKFOQHDVXZVPKB-UHFFFAOYSA-N 1 0 407.905 3.976 20 30 HHEDRO C=CC[N@@H+](Cc1ccnn1-c1ccccc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000430743604 977722651 /nfs/dbraw/zinc/72/26/51/977722651.db2.gz RUXOTSFTXLVSPF-GOSISDBHSA-N 1 0 415.501 3.606 20 30 HHEDRO C=CCOc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000431412794 978283386 /nfs/dbraw/zinc/28/33/86/978283386.db2.gz HXTKVYMBNWQZHB-UHFFFAOYSA-N 1 0 414.594 3.911 20 30 HHEDRO N#CC1(CS(=O)(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCCCC1 ZINC000431563720 978361063 /nfs/dbraw/zinc/36/10/63/978361063.db2.gz IWCKPYYMDTVJAF-UHFFFAOYSA-N 1 0 415.603 3.778 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000431983786 978631272 /nfs/dbraw/zinc/63/12/72/978631272.db2.gz WXSKMTMMYJOUNY-QZTJIDSGSA-N 1 0 418.541 3.600 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432328412 978762838 /nfs/dbraw/zinc/76/28/38/978762838.db2.gz XEUVOYOLVGQUER-HXUWFJFHSA-N 1 0 418.541 3.790 20 30 HHEDRO CCCc1c(NC(=O)NC2CC([NH+]3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000432565737 978890928 /nfs/dbraw/zinc/89/09/28/978890928.db2.gz BJVINQRTUQOAIJ-UHFFFAOYSA-N 1 0 406.534 3.835 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000432571976 978894451 /nfs/dbraw/zinc/89/44/51/978894451.db2.gz IMTWHAARJHMYBY-JOCHJYFZSA-N 1 0 404.514 3.620 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000432588805 978902463 /nfs/dbraw/zinc/90/24/63/978902463.db2.gz FKLBZGDNJQIDLN-JOCHJYFZSA-N 1 0 404.514 3.620 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000432769419 978968336 /nfs/dbraw/zinc/96/83/36/978968336.db2.gz RWJHWXOBMDBQCX-LJQANCHMSA-N 1 0 410.562 3.839 20 30 HHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000432849106 978991258 /nfs/dbraw/zinc/99/12/58/978991258.db2.gz ZFISNVWUPKSRBE-QHCPKHFHSA-N 1 0 406.486 3.919 20 30 HHEDRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH2+][C@H](CCCC#N)c3ccccc3)CC2)C1 ZINC000433016808 979042880 /nfs/dbraw/zinc/04/28/80/979042880.db2.gz UTLXIVKVZYLVCJ-NZQKXSOJSA-N 1 0 424.589 3.508 20 30 HHEDRO COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1)CC2 ZINC000433019704 979043831 /nfs/dbraw/zinc/04/38/31/979043831.db2.gz KZKIKTKDHDJNJI-NRFANRHFSA-N 1 0 407.514 3.613 20 30 HHEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000433025512 979046024 /nfs/dbraw/zinc/04/60/24/979046024.db2.gz LJJCHEUBWBQAJO-QHCPKHFHSA-N 1 0 424.589 3.652 20 30 HHEDRO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000433207224 979142252 /nfs/dbraw/zinc/14/22/52/979142252.db2.gz JQIZOJPRCLDUHU-SFHVURJKSA-N 1 0 419.504 3.940 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)c1 ZINC000433298652 979222650 /nfs/dbraw/zinc/22/26/50/979222650.db2.gz APTWCBFYSLLGGO-IBGZPJMESA-N 1 0 412.331 3.502 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c(-c2ccncc2)n1 ZINC000433311688 979229326 /nfs/dbraw/zinc/22/93/26/979229326.db2.gz IKWXEHBCYIQCIP-HSZRJFAPSA-N 1 0 400.530 3.613 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433320321 979234624 /nfs/dbraw/zinc/23/46/24/979234624.db2.gz RTTDDVKYOOHNCO-OXFYSEKESA-N 1 0 406.368 3.756 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1C ZINC000434389504 980133631 /nfs/dbraw/zinc/13/36/31/980133631.db2.gz HRZVEDKKSVCJTN-HXUWFJFHSA-N 1 0 416.529 3.824 20 30 HHEDRO CCn1nccc1C1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000434801210 980406889 /nfs/dbraw/zinc/40/68/89/980406889.db2.gz FAZDIZFHTRAODZ-UHFFFAOYSA-N 1 0 411.575 3.923 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434980712 980547000 /nfs/dbraw/zinc/54/70/00/980547000.db2.gz GTHJNELGUXNJOR-UHFFFAOYSA-N 1 0 422.577 3.719 20 30 HHEDRO CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000435126155 980657444 /nfs/dbraw/zinc/65/74/44/980657444.db2.gz JOUVWPQAORAJPP-DEOSSOPVSA-N 1 0 414.557 3.955 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435131002 980662362 /nfs/dbraw/zinc/66/23/62/980662362.db2.gz AHQSRNZQKAPAFA-RTWAWAEBSA-N 1 0 406.578 3.945 20 30 HHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132556 980663940 /nfs/dbraw/zinc/66/39/40/980663940.db2.gz KEEKCVYRRFZRKM-HXUWFJFHSA-N 1 0 414.513 3.709 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(-c2ccncc2)n1 ZINC000435132714 980664005 /nfs/dbraw/zinc/66/40/05/980664005.db2.gz KXOZPHDALJYIHX-UHFFFAOYSA-N 1 0 412.497 3.774 20 30 HHEDRO Cc1cc(NC(=O)N(CCC#N)CC2CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435525242 980919853 /nfs/dbraw/zinc/91/98/53/980919853.db2.gz ITSYVRWRFJPVCQ-NRFANRHFSA-N 1 0 406.534 3.796 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)[C@@H](C)C1 ZINC000435544978 980932848 /nfs/dbraw/zinc/93/28/48/980932848.db2.gz HKADUTLPYKIKTL-PXNSSMCTSA-N 1 0 402.539 3.604 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000436335884 981308298 /nfs/dbraw/zinc/30/82/98/981308298.db2.gz WTYXOSACYOLVCM-GCJKJVERSA-N 1 0 414.550 3.604 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)CC1 ZINC000436665843 981499823 /nfs/dbraw/zinc/49/98/23/981499823.db2.gz PYRYQQIPMKLHES-UHFFFAOYSA-N 1 0 403.526 3.991 20 30 HHEDRO N#CC1(NC(=O)c2ccc(C(F)(F)F)cc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000436890472 981602945 /nfs/dbraw/zinc/60/29/45/981602945.db2.gz BXELCJWILNFIKE-UHFFFAOYSA-N 1 0 403.404 3.699 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)nc1 ZINC000448201958 981614196 /nfs/dbraw/zinc/61/41/96/981614196.db2.gz IIRBGEFLIPMGSD-DENIHFKCSA-N 1 0 402.498 3.834 20 30 HHEDRO N#CCCCOc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000437042282 981713167 /nfs/dbraw/zinc/71/31/67/981713167.db2.gz XIWMTDOSBJYVKR-UHFFFAOYSA-N 1 0 420.513 3.932 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448378404 981735511 /nfs/dbraw/zinc/73/55/11/981735511.db2.gz YYVXXDJYLRTDET-GBXCKJPGSA-N 1 0 400.526 3.962 20 30 HHEDRO Cn1ccnc1[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(F)c1 ZINC000437078877 981749620 /nfs/dbraw/zinc/74/96/20/981749620.db2.gz BOKZYSYEPCIDPY-CBNMVNINSA-N 1 0 405.477 3.895 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448403163 981757019 /nfs/dbraw/zinc/75/70/19/981757019.db2.gz WTYYNHINSOKKBR-NZQKXSOJSA-N 1 0 422.573 3.981 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000437101656 981761936 /nfs/dbraw/zinc/76/19/36/981761936.db2.gz DQZDDNRIOQNNIL-AOMIVXANSA-N 1 0 403.461 3.952 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000460122132 981897578 /nfs/dbraw/zinc/89/75/78/981897578.db2.gz XKFFBYPZHFGISQ-XZOQPEGZSA-N 1 0 421.566 3.789 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N(C)CCOCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000460159857 981931932 /nfs/dbraw/zinc/93/19/32/981931932.db2.gz JCPPFLXZCPHEMK-DEOSSOPVSA-N 1 0 420.557 3.862 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460211565 981986397 /nfs/dbraw/zinc/98/63/97/981986397.db2.gz NKULBVDTHCYPSH-MOPGFXCFSA-N 1 0 400.530 3.936 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437348229 981998852 /nfs/dbraw/zinc/99/88/52/981998852.db2.gz VDZAOZJSKJIBEY-OAQYLSRUSA-N 1 0 422.504 3.539 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460276090 982051741 /nfs/dbraw/zinc/05/17/41/982051741.db2.gz KDFGTLPCMXUKBI-PKTZIBPZSA-N 1 0 405.542 3.915 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC000460388273 982167411 /nfs/dbraw/zinc/16/74/11/982167411.db2.gz PVZCLONAJYNGJQ-FYYLOGMGSA-N 1 0 420.605 3.598 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460396248 982176711 /nfs/dbraw/zinc/17/67/11/982176711.db2.gz XMDJLQSCBUJDLL-IEBWSBKVSA-N 1 0 413.566 3.705 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460547038 982333827 /nfs/dbraw/zinc/33/38/27/982333827.db2.gz WKRQPRKLABFDKO-KNQAVFIVSA-N 1 0 419.577 3.917 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460553980 982340383 /nfs/dbraw/zinc/34/03/83/982340383.db2.gz IILCLSIPECLDBV-UHFFFAOYSA-N 1 0 413.566 3.849 20 30 HHEDRO C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460567587 982352382 /nfs/dbraw/zinc/35/23/82/982352382.db2.gz OVGPJGFVQPHZIQ-HXUWFJFHSA-N 1 0 419.614 3.671 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000437899977 982448739 /nfs/dbraw/zinc/44/87/39/982448739.db2.gz WHEWTZRTFHXBDR-HXUWFJFHSA-N 1 0 406.530 3.588 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460780795 982533586 /nfs/dbraw/zinc/53/35/86/982533586.db2.gz RTDGRNTXAMUWQO-OAQYLSRUSA-N 1 0 402.546 3.935 20 30 HHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460790458 982543195 /nfs/dbraw/zinc/54/31/95/982543195.db2.gz CSDYVTVWDBSNNZ-LJQANCHMSA-N 1 0 413.566 3.925 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460798823 982551279 /nfs/dbraw/zinc/55/12/79/982551279.db2.gz XNYZNNADGLXMCR-PZJWPPBQSA-N 1 0 409.578 3.711 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460805719 982558677 /nfs/dbraw/zinc/55/86/77/982558677.db2.gz NFTCSNWESUOETO-FYQPLNBISA-N 1 0 403.615 3.939 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460929166 982667326 /nfs/dbraw/zinc/66/73/26/982667326.db2.gz CVFIOUIGHZRHDV-QFIPXVFZSA-N 1 0 402.546 3.551 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460948401 982683446 /nfs/dbraw/zinc/68/34/46/982683446.db2.gz VSSRMVHKBVYURK-NRFANRHFSA-N 1 0 409.578 3.930 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460963790 982694201 /nfs/dbraw/zinc/69/42/01/982694201.db2.gz ZNKFMOBIUJYKHQ-IFMALSPDSA-N 1 0 420.605 3.870 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460963791 982694301 /nfs/dbraw/zinc/69/43/01/982694301.db2.gz ZNKFMOBIUJYKHQ-IRLDBZIGSA-N 1 0 420.605 3.870 20 30 HHEDRO CCOc1cccc([C@@H]2C[C@H]2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000438345441 982735000 /nfs/dbraw/zinc/73/50/00/982735000.db2.gz HTNSNCXXDYPDMS-XZOQPEGZSA-N 1 0 406.530 3.586 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000438442082 982795037 /nfs/dbraw/zinc/79/50/37/982795037.db2.gz IKZLVHRNGNBROP-PKOBYXMFSA-N 1 0 413.484 3.760 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000438445591 982797183 /nfs/dbraw/zinc/79/71/83/982797183.db2.gz QFYBQSOBFAIFMT-IEBWSBKVSA-N 1 0 413.484 3.760 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000438483140 982830809 /nfs/dbraw/zinc/83/08/09/982830809.db2.gz CGDDPXRRPQZTKD-SDVLMSEASA-N 1 0 407.514 3.991 20 30 HHEDRO N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000438605576 982933278 /nfs/dbraw/zinc/93/32/78/982933278.db2.gz GVVNZFHWTNOYDF-UVKLAMSESA-N 1 0 418.541 3.672 20 30 HHEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000438643822 982962449 /nfs/dbraw/zinc/96/24/49/982962449.db2.gz GXXSXOBJYLWJIT-INIZCTEOSA-N 1 0 422.407 3.522 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cc1C#N ZINC000438656794 982974818 /nfs/dbraw/zinc/97/48/18/982974818.db2.gz RAJZAUPVVHDTLK-UHFFFAOYSA-N 1 0 420.513 3.561 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1Cl ZINC000461424612 983087559 /nfs/dbraw/zinc/08/75/59/983087559.db2.gz HSDGQSSDHVJCIZ-UHFFFAOYSA-N 1 0 406.935 3.735 20 30 HHEDRO N#CCC[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000438835150 983104517 /nfs/dbraw/zinc/10/45/17/983104517.db2.gz KNGIMTQGJSCPML-XMMPIXPASA-N 1 0 419.573 3.933 20 30 HHEDRO N#CCC[C@@H](NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000438845232 983112192 /nfs/dbraw/zinc/11/21/92/983112192.db2.gz ZKPZGXDUTFKQRW-XMMPIXPASA-N 1 0 419.573 3.539 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461449104 983113879 /nfs/dbraw/zinc/11/38/79/983113879.db2.gz PTIFSPZDVFYOGA-RTWAWAEBSA-N 1 0 406.526 3.854 20 30 HHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000461478150 983135966 /nfs/dbraw/zinc/13/59/66/983135966.db2.gz GLBWKXFAVZWMIH-LJQANCHMSA-N 1 0 404.543 3.599 20 30 HHEDRO COc1cccc(NC(=O)[C@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccccc2)c1 ZINC000439632951 983477873 /nfs/dbraw/zinc/47/78/73/983477873.db2.gz LAPZIKIQMGTIFM-HSZRJFAPSA-N 1 0 401.466 3.915 20 30 HHEDRO CCCc1c(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000439682745 983499310 /nfs/dbraw/zinc/49/93/10/983499310.db2.gz FOMLAVHRLKCKOI-IBGZPJMESA-N 1 0 408.550 3.796 20 30 HHEDRO CCCc1c(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cnn1-c1cccc(C#N)c1 ZINC000439684807 983500665 /nfs/dbraw/zinc/50/06/65/983500665.db2.gz XEBIVCLRQGPOBQ-UHFFFAOYSA-N 1 0 420.517 3.885 20 30 HHEDRO N#Cc1c(Br)cccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000439963672 983597290 /nfs/dbraw/zinc/59/72/90/983597290.db2.gz UYEAFEGHYHIVDX-UHFFFAOYSA-N 1 0 400.320 3.890 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000440192953 983677503 /nfs/dbraw/zinc/67/75/03/983677503.db2.gz XGKORTZFQJNSAB-LJQANCHMSA-N 1 0 403.530 3.876 20 30 HHEDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCCC1 ZINC000440398927 983744300 /nfs/dbraw/zinc/74/43/00/983744300.db2.gz MVWIKEUGEZTDDA-QGZVFWFLSA-N 1 0 416.591 3.838 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000440483188 983772796 /nfs/dbraw/zinc/77/27/96/983772796.db2.gz CMUAVTBXOXPLPX-UHFFFAOYSA-N 1 0 404.514 3.703 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440486504 983774069 /nfs/dbraw/zinc/77/40/69/983774069.db2.gz YROVXXYYZNNQOV-HXOBKFHXSA-N 1 0 409.555 3.833 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCN(c3c(C#N)cnc4c(Br)cccc43)CC2)CCO1 ZINC000440635928 983831730 /nfs/dbraw/zinc/83/17/30/983831730.db2.gz DYBIUQRHGWXSAI-AWEZNQCLSA-N 1 0 415.335 3.558 20 30 HHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@H]1[NH+]1CCCC1 ZINC000440652046 983839222 /nfs/dbraw/zinc/83/92/22/983839222.db2.gz WMAAZCUYJSNRFT-SJORKVTESA-N 1 0 417.376 3.885 20 30 HHEDRO Clc1ccccc1C#CCN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000441143146 984088936 /nfs/dbraw/zinc/08/89/36/984088936.db2.gz DLBGECOHKNZDAQ-NRFANRHFSA-N 1 0 408.977 3.621 20 30 HHEDRO COc1cccc(CN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]2CCCO2)c1 ZINC000441235192 984130564 /nfs/dbraw/zinc/13/05/64/984130564.db2.gz RUUKCTGCJDQMJI-OAQYLSRUSA-N 1 0 404.470 3.798 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441272563 984152018 /nfs/dbraw/zinc/15/20/18/984152018.db2.gz AEXCSSYEHDDYQM-BRWVUGGUSA-N 1 0 401.576 3.964 20 30 HHEDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441273753 984152932 /nfs/dbraw/zinc/15/29/32/984152932.db2.gz XVNGHPHISUHEDK-HUUCEWRRSA-N 1 0 405.951 3.916 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441274388 984153405 /nfs/dbraw/zinc/15/34/05/984153405.db2.gz FJJCZQQYVSTHQS-RBUKOAKNSA-N 1 0 424.520 3.792 20 30 HHEDRO CCOc1cc(C[NH2+]CC2CCC(C#N)CC2)ccc1OCC(=O)N1CCCCC1 ZINC000441341918 984197497 /nfs/dbraw/zinc/19/74/97/984197497.db2.gz PUBFBDPFVXFHHM-UHFFFAOYSA-N 1 0 413.562 3.896 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1C#N ZINC000441798248 984460813 /nfs/dbraw/zinc/46/08/13/984460813.db2.gz URBQVROPCVKRES-QZTJIDSGSA-N 1 0 418.541 3.600 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2SC(C)C)CC1 ZINC000441816943 984473802 /nfs/dbraw/zinc/47/38/02/984473802.db2.gz FUEJKSTWIFTGJP-UHFFFAOYSA-N 1 0 409.983 3.936 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)CC1 ZINC000441826572 984480272 /nfs/dbraw/zinc/48/02/72/984480272.db2.gz URNXASFLDHJVCP-UHFFFAOYSA-N 1 0 422.529 3.586 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000441858662 984503605 /nfs/dbraw/zinc/50/36/05/984503605.db2.gz AHZKSDKNIMOMRU-UHFFFAOYSA-N 1 0 409.530 3.707 20 30 HHEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000441992186 984582943 /nfs/dbraw/zinc/58/29/43/984582943.db2.gz ASHALOVZKYBFOC-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO N#Cc1cc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1OC(F)(F)F ZINC000442202529 984722450 /nfs/dbraw/zinc/72/24/50/984722450.db2.gz SFZGLXIMDWOXKN-UHFFFAOYSA-N 1 0 419.407 3.638 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CCCc3ccccc3)c2)CC1 ZINC000442274005 984784602 /nfs/dbraw/zinc/78/46/02/984784602.db2.gz MQFNMFUJIWQLAD-UHFFFAOYSA-N 1 0 405.542 3.567 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000461903486 984921696 /nfs/dbraw/zinc/92/16/96/984921696.db2.gz UOLUPSSCOTZVBN-NRFANRHFSA-N 1 0 404.558 3.689 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1Cl ZINC000461937036 984941733 /nfs/dbraw/zinc/94/17/33/984941733.db2.gz SNKXWFIDOBCXFR-KXBFYZLASA-N 1 0 419.957 3.615 20 30 HHEDRO N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000461943935 984944317 /nfs/dbraw/zinc/94/43/17/984944317.db2.gz YXKBBFPMMUXYDF-HYBUGGRVSA-N 1 0 417.557 3.500 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC000461994186 984975950 /nfs/dbraw/zinc/97/59/50/984975950.db2.gz JFXWYGNMAYWNNC-GOSISDBHSA-N 1 0 404.514 3.556 20 30 HHEDRO C[C@H](C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000462130129 985101279 /nfs/dbraw/zinc/10/12/79/985101279.db2.gz IIDTYCXETUQIGP-INIZCTEOSA-N 1 0 405.502 3.516 20 30 HHEDRO N#Cc1ccc(OC2CN(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2)cc1 ZINC000462131224 985102427 /nfs/dbraw/zinc/10/24/27/985102427.db2.gz QXUXVCIUUDKCGW-UHFFFAOYSA-N 1 0 424.932 3.649 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000462177812 985157213 /nfs/dbraw/zinc/15/72/13/985157213.db2.gz BBVOCPRBAAGFKI-FDDCHVKYSA-N 1 0 415.493 3.981 20 30 HHEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C#N)c(OC)c3)CCCC2)cc1OC ZINC000442846479 985244122 /nfs/dbraw/zinc/24/41/22/985244122.db2.gz ZNDIKKFUHGQUTF-UHFFFAOYSA-N 1 0 409.486 3.625 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)ccc1C#N ZINC000442849887 985246261 /nfs/dbraw/zinc/24/62/61/985246261.db2.gz OJZWKMDPXRFUPA-IBGZPJMESA-N 1 0 407.518 3.798 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1cccs1 ZINC000462307971 985294122 /nfs/dbraw/zinc/29/41/22/985294122.db2.gz YVCACLBPWQZIOE-KDOFPFPSSA-N 1 0 409.964 3.635 20 30 HHEDRO N#Cc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000462388073 985369647 /nfs/dbraw/zinc/36/96/47/985369647.db2.gz MTGJCTMYAQPESB-UHFFFAOYSA-N 1 0 401.470 4.339 20 30 HHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCC1CCC(C#N)CC1)C1CCCCC1 ZINC000443333472 985501193 /nfs/dbraw/zinc/50/11/93/985501193.db2.gz QJZMUHRVWMGUGV-UHFFFAOYSA-N 1 0 410.562 3.836 20 30 HHEDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443379915 985539724 /nfs/dbraw/zinc/53/97/24/985539724.db2.gz ZLQCPAZPYUTYKQ-BEFAXECRSA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443379918 985539832 /nfs/dbraw/zinc/53/98/32/985539832.db2.gz ZLQCPAZPYUTYKQ-DNVCBOLYSA-N 1 0 403.935 3.543 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000462807410 985738737 /nfs/dbraw/zinc/73/87/37/985738737.db2.gz AYKMQOXFIHZJLH-VFNWGFHPSA-N 1 0 406.555 3.803 20 30 HHEDRO COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)c1 ZINC000462814496 985742902 /nfs/dbraw/zinc/74/29/02/985742902.db2.gz FSEBDBWYGBYBHE-MRXNPFEDSA-N 1 0 417.469 3.906 20 30 HHEDRO N#Cc1cc(NCC2([NH+]3CCSCC3)CCCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000462842695 985766978 /nfs/dbraw/zinc/76/69/78/985766978.db2.gz YMOXMCQCOMXOLP-UHFFFAOYSA-N 1 0 411.531 4.178 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCC(=O)OC(C)(C)C)sc2C1 ZINC000468136477 985803471 /nfs/dbraw/zinc/80/34/71/985803471.db2.gz OYRIBURYXIUJBD-CQSZACIVSA-N 1 0 405.564 3.737 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000462911024 985842044 /nfs/dbraw/zinc/84/20/44/985842044.db2.gz MLEPATNBNYPGNQ-GOSISDBHSA-N 1 0 404.493 3.614 20 30 HHEDRO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C[C@@H](C)C1 ZINC000443662864 985864698 /nfs/dbraw/zinc/86/46/98/985864698.db2.gz VZERVXABRKJOBM-QYZOEREBSA-N 1 0 412.578 3.724 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000443673943 985881049 /nfs/dbraw/zinc/88/10/49/985881049.db2.gz IQVLZWIYRZZVRM-HZPDHXFCSA-N 1 0 414.468 3.889 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)c2)cc1 ZINC000443810904 986007127 /nfs/dbraw/zinc/00/71/27/986007127.db2.gz WGCOZROYDFGACZ-HSZRJFAPSA-N 1 0 404.514 3.629 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443843691 986046003 /nfs/dbraw/zinc/04/60/03/986046003.db2.gz OZLOJXLAICDILK-XMSQKQJNSA-N 1 0 409.530 3.696 20 30 HHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207050 986179190 /nfs/dbraw/zinc/17/91/90/986179190.db2.gz YPXHPLCBMPCLTA-PWRODBHTSA-N 1 0 422.491 3.579 20 30 HHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3ccc(C#N)c(C)c3)c2)cc1 ZINC000444000981 986198974 /nfs/dbraw/zinc/19/89/74/986198974.db2.gz AUFJDPHBUBEIHX-UHFFFAOYSA-N 1 0 421.522 3.966 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN(Cc4ccccc4Cl)CC3)C2=O)cc1 ZINC000463251296 986219809 /nfs/dbraw/zinc/21/98/09/986219809.db2.gz CZFDQBRAOCUIHS-HSZRJFAPSA-N 1 0 422.960 3.567 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000463275207 986241835 /nfs/dbraw/zinc/24/18/35/986241835.db2.gz URPXEEWVFSIVIF-AVRDEDQJSA-N 1 0 408.502 3.813 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)sc2c1CCC2 ZINC000444170800 986347263 /nfs/dbraw/zinc/34/72/63/986347263.db2.gz VDQFDMPMFRMATP-GOSISDBHSA-N 1 0 409.555 3.976 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444197056 986375100 /nfs/dbraw/zinc/37/51/00/986375100.db2.gz RHIMNBLBICWCII-OALUTQOASA-N 1 0 400.592 3.827 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1C#N ZINC000444202434 986380953 /nfs/dbraw/zinc/38/09/53/986380953.db2.gz WTHXFLTVEXMAQR-NRFANRHFSA-N 1 0 419.573 3.712 20 30 HHEDRO CC(C)(C#N)CCC[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000463420941 986391179 /nfs/dbraw/zinc/39/11/79/986391179.db2.gz DOJSUKDYDKTANC-DEOSSOPVSA-N 1 0 418.585 3.992 20 30 HHEDRO C=C(C)COc1cc(CN2CCCN(Cc3ccc(OC)cc3)C(=O)C2)ccc1OC ZINC000468683794 986394545 /nfs/dbraw/zinc/39/45/45/986394545.db2.gz HXOZATMWUMJXOB-UHFFFAOYSA-N 1 0 424.541 3.893 20 30 HHEDRO Cc1cc(Br)cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000463509068 986484916 /nfs/dbraw/zinc/48/49/16/986484916.db2.gz ZEMNWEJDJPCFKV-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000463528759 986505272 /nfs/dbraw/zinc/50/52/72/986505272.db2.gz RBXUMAKBRFVYKD-OAQYLSRUSA-N 1 0 410.514 3.836 20 30 HHEDRO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444394703 986571869 /nfs/dbraw/zinc/57/18/69/986571869.db2.gz INAKYNCJIMUYOB-UHFFFAOYSA-N 1 0 407.518 3.947 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000468952960 986657187 /nfs/dbraw/zinc/65/71/87/986657187.db2.gz KZVMTPDAIBPYKO-HZPDHXFCSA-N 1 0 408.477 3.680 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469091552 986805887 /nfs/dbraw/zinc/80/58/87/986805887.db2.gz XYAZCOGYQNBYHP-HSZRJFAPSA-N 1 0 424.495 3.540 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000444635369 986822239 /nfs/dbraw/zinc/82/22/39/986822239.db2.gz ASECEQVWTHIYSI-HXUWFJFHSA-N 1 0 424.545 3.849 20 30 HHEDRO C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469158677 986883326 /nfs/dbraw/zinc/88/33/26/986883326.db2.gz VWEGWWNYSMGXRN-SFHVURJKSA-N 1 0 400.482 3.950 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4nccn4C)C3)sc2C1 ZINC000444791409 986946151 /nfs/dbraw/zinc/94/61/51/986946151.db2.gz BMFAGBNQRFAZDI-CVEARBPZSA-N 1 0 411.575 3.686 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444815029 986968610 /nfs/dbraw/zinc/96/86/10/986968610.db2.gz DVGGFCPTKFASCO-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000444820490 986973919 /nfs/dbraw/zinc/97/39/19/986973919.db2.gz WACJDUSEOZIBIA-QGZVFWFLSA-N 1 0 415.607 3.618 20 30 HHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000444823626 986978698 /nfs/dbraw/zinc/97/86/98/986978698.db2.gz QSXHIMHLFQFHLX-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444842297 987001176 /nfs/dbraw/zinc/00/11/76/987001176.db2.gz YJZWLASQXUOWQG-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338116 987044638 /nfs/dbraw/zinc/04/46/38/987044638.db2.gz NAVBPZPJSGIUJX-CVDCTZTESA-N 1 0 417.557 3.987 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2)CC1 ZINC000469359683 987059793 /nfs/dbraw/zinc/05/97/93/987059793.db2.gz XAPOAGBLMKVYBG-IBGZPJMESA-N 1 0 417.340 3.735 20 30 HHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000469437415 987123408 /nfs/dbraw/zinc/12/34/08/987123408.db2.gz YCGYCFRIHXSYEZ-BJKOFHAPSA-N 1 0 420.557 3.798 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000469736328 987386704 /nfs/dbraw/zinc/38/67/04/987386704.db2.gz WHWGKRRCBTXTEA-ZWKOTPCHSA-N 1 0 413.566 3.713 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](Oc3ccncc3)C1)CCCCC2 ZINC000469740841 987391373 /nfs/dbraw/zinc/39/13/73/987391373.db2.gz BMLBFBIFNPQLEA-KRWDZBQOSA-N 1 0 410.543 3.766 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000470160946 988072975 /nfs/dbraw/zinc/07/29/75/988072975.db2.gz JOOMGXJSCYWZDW-GOSISDBHSA-N 1 0 408.399 3.818 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470555140 988569700 /nfs/dbraw/zinc/56/97/00/988569700.db2.gz DUMOJTAIIMYQIL-UHFFFAOYSA-N 1 0 411.550 3.513 20 30 HHEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000464495597 988669017 /nfs/dbraw/zinc/66/90/17/988669017.db2.gz CBXNMBFFIPRVGM-INIZCTEOSA-N 1 0 417.575 3.881 20 30 HHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470720734 988746076 /nfs/dbraw/zinc/74/60/76/988746076.db2.gz YSIMCUKJLQITCJ-FQEVSTJZSA-N 1 0 414.513 3.571 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)ccc21 ZINC000470779074 988831208 /nfs/dbraw/zinc/83/12/08/988831208.db2.gz KUSONZXEGCMDQL-HSZRJFAPSA-N 1 0 416.525 3.873 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000470962177 989025758 /nfs/dbraw/zinc/02/57/58/989025758.db2.gz VLUHIQLEQLSPFI-OPYAIIAOSA-N 1 0 421.459 3.982 20 30 HHEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000471016831 989086707 /nfs/dbraw/zinc/08/67/07/989086707.db2.gz FBUFRUDWDNDFTP-UHFFFAOYSA-N 1 0 404.514 3.530 20 30 HHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCCOc1ccccc1C(F)(F)F ZINC000464853189 989106425 /nfs/dbraw/zinc/10/64/25/989106425.db2.gz FIVPQQUTUJAPQX-INIZCTEOSA-N 1 0 419.451 3.737 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](C)CC12CCCCC2 ZINC000471038007 989112949 /nfs/dbraw/zinc/11/29/49/989112949.db2.gz INTKADCOBULZQN-GOSISDBHSA-N 1 0 400.592 3.827 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000471063766 989148570 /nfs/dbraw/zinc/14/85/70/989148570.db2.gz VIYIOSQLUKNKJZ-UHFFFAOYSA-N 1 0 404.514 3.553 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000464974091 989274117 /nfs/dbraw/zinc/27/41/17/989274117.db2.gz PXKMQQGVMAIVNK-UHFFFAOYSA-N 1 0 420.557 3.662 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464989331 989294844 /nfs/dbraw/zinc/29/48/44/989294844.db2.gz UWOYBQKONXYXMZ-QFIPXVFZSA-N 1 0 421.541 3.706 20 30 HHEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)C2)CC1 ZINC000464989523 989294956 /nfs/dbraw/zinc/29/49/56/989294956.db2.gz VTGNCTKGSCCETA-QFIPXVFZSA-N 1 0 418.541 3.511 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000471280335 989434253 /nfs/dbraw/zinc/43/42/53/989434253.db2.gz RYLMPBGIXMILIE-KRWDZBQOSA-N 1 0 400.429 3.803 20 30 HHEDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465153281 989482879 /nfs/dbraw/zinc/48/28/79/989482879.db2.gz GBPACRIRWUMHEZ-HRAATJIYSA-N 1 0 405.502 3.661 20 30 HHEDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465153286 989482896 /nfs/dbraw/zinc/48/28/96/989482896.db2.gz GBPACRIRWUMHEZ-IIBYNOLFSA-N 1 0 405.502 3.661 20 30 HHEDRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)cc1 ZINC000471390140 989568704 /nfs/dbraw/zinc/56/87/04/989568704.db2.gz XVJZOCUZJOWHPW-HSZRJFAPSA-N 1 0 419.573 3.636 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000465558938 989923940 /nfs/dbraw/zinc/92/39/40/989923940.db2.gz VMOZUUCQKGPBAW-XZOQPEGZSA-N 1 0 406.530 3.608 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000465559073 989924937 /nfs/dbraw/zinc/92/49/37/989924937.db2.gz WWUVQCKUMRFEQM-GOTSBHOMSA-N 1 0 403.530 3.527 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471747770 989942708 /nfs/dbraw/zinc/94/27/08/989942708.db2.gz NBDXEZZFRYNYKV-YADARESESA-N 1 0 400.526 3.789 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000471791080 989977343 /nfs/dbraw/zinc/97/73/43/989977343.db2.gz UXBVSWYSHXPMGM-DNQXCXABSA-N 1 0 400.526 3.830 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)C2)n1 ZINC000471800841 989985057 /nfs/dbraw/zinc/98/50/57/989985057.db2.gz SUFNMCYQDUHULK-HSZRJFAPSA-N 1 0 423.605 3.593 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000465672003 990057464 /nfs/dbraw/zinc/05/74/64/990057464.db2.gz ZDRFBCBFIJMTSW-GOTSBHOMSA-N 1 0 403.530 3.527 20 30 HHEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000465683173 990067640 /nfs/dbraw/zinc/06/76/40/990067640.db2.gz DQHADJBEOAVKBJ-CTUHWIOQSA-N 1 0 402.542 3.915 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@H](C)C1 ZINC000466021637 991190052 /nfs/dbraw/zinc/19/00/52/991190052.db2.gz VVINALUHNNOEKZ-YPIGPJMWSA-N 1 0 412.578 3.605 20 30 HHEDRO COc1ccccc1[C@]1(C)C[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466042178 991212556 /nfs/dbraw/zinc/21/25/56/991212556.db2.gz KDOJBIHIFJROPP-NOZRDPDXSA-N 1 0 418.541 3.514 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[C@H]1c1cccs1 ZINC000466072581 991246171 /nfs/dbraw/zinc/24/61/71/991246171.db2.gz BRHUPRCCBVSNKM-KNQAVFIVSA-N 1 0 423.586 3.534 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000466076101 991250301 /nfs/dbraw/zinc/25/03/01/991250301.db2.gz JCIIVFBSWMPNLD-YLJYHZDGSA-N 1 0 412.559 3.869 20 30 HHEDRO CCOc1cc(C[NH2+]CCc2cccc(C#N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000466424804 991715101 /nfs/dbraw/zinc/71/51/01/991715101.db2.gz HAIGZQBINHXLLV-UHFFFAOYSA-N 1 0 421.541 3.681 20 30 HHEDRO CCO[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C12CCCC2 ZINC000466435278 991723795 /nfs/dbraw/zinc/72/37/95/991723795.db2.gz XHQDNPGILWMOHD-FGZHOGPDSA-N 1 0 410.562 3.513 20 30 HHEDRO CC(C)(CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000466598333 991914026 /nfs/dbraw/zinc/91/40/26/991914026.db2.gz DIDJUSFQNIOOGQ-UHFFFAOYSA-N 1 0 407.518 3.723 20 30 HHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ncccc1OCCCC#N ZINC000466610674 991926936 /nfs/dbraw/zinc/92/69/36/991926936.db2.gz QSPDGRFBZXTIHL-FQEVSTJZSA-N 1 0 407.518 3.750 20 30 HHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939507 992250433 /nfs/dbraw/zinc/25/04/33/992250433.db2.gz RVQHYYJPJPTAAJ-SBUREZEXSA-N 1 0 406.505 3.892 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000467046128 992355217 /nfs/dbraw/zinc/35/52/17/992355217.db2.gz MVWUXWCOEMZBKZ-RXVVDRJESA-N 1 0 407.514 3.505 20 30 HHEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 ZINC000467123505 992438743 /nfs/dbraw/zinc/43/87/43/992438743.db2.gz ZDJDWYGKKMERAG-LJQANCHMSA-N 1 0 424.545 3.661 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467140460 992456725 /nfs/dbraw/zinc/45/67/25/992456725.db2.gz RMMYQTZOBPARDJ-CRAIPNDOSA-N 1 0 419.497 3.683 20 30 HHEDRO C[N@H+](CCCSCC#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467274175 992595666 /nfs/dbraw/zinc/59/56/66/992595666.db2.gz FIYULFQWNFNJHU-UHFFFAOYSA-N 1 0 401.370 3.677 20 30 HHEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000467361820 992680415 /nfs/dbraw/zinc/68/04/15/992680415.db2.gz JUYQCWWLHKSUMQ-MGPUTAFESA-N 1 0 401.432 3.899 20 30 HHEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467449716 992744765 /nfs/dbraw/zinc/74/47/65/992744765.db2.gz RFNKUPPHNRECMF-AWEZNQCLSA-N 1 0 413.543 3.963 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000467486172 992774393 /nfs/dbraw/zinc/77/43/93/992774393.db2.gz NMQDUGYIGNFULR-PBHICJAKSA-N 1 0 400.429 3.944 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755814 993001164 /nfs/dbraw/zinc/00/11/64/993001164.db2.gz SRCLSCFNAGFJKN-YWZLYKJASA-N 1 0 408.571 3.750 20 30 HHEDRO CCOc1cccc2[nH]cc(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c21 ZINC000467836110 993067600 /nfs/dbraw/zinc/06/76/00/993067600.db2.gz FRUJRXHEAXPZRI-UHFFFAOYSA-N 1 0 404.514 3.571 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000472097799 993148794 /nfs/dbraw/zinc/14/87/94/993148794.db2.gz YTFLFLNIRWUJJJ-JOCHJYFZSA-N 1 0 420.944 3.922 20 30 HHEDRO Cc1nn(C)c(N2CC[NH+](CCCCOc3cccc(C(F)(F)F)c3)CC2)c1C#N ZINC000472163034 993211448 /nfs/dbraw/zinc/21/14/48/993211448.db2.gz ZLTNWZOXBWJOLJ-UHFFFAOYSA-N 1 0 421.467 3.600 20 30 HHEDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCS1 ZINC000472249222 993275808 /nfs/dbraw/zinc/27/58/08/993275808.db2.gz HTYNLKPAQQYVDL-GOSISDBHSA-N 1 0 400.548 3.774 20 30 HHEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472254759 993281413 /nfs/dbraw/zinc/28/14/13/993281413.db2.gz GHHGIOPHRJQKQI-NHCUHLMSSA-N 1 0 412.534 3.572 20 30 HHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000472266099 993289804 /nfs/dbraw/zinc/28/98/04/993289804.db2.gz PYEQDSVAFCDQPR-WIYYLYMNSA-N 1 0 402.498 3.600 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000472303152 993315919 /nfs/dbraw/zinc/31/59/19/993315919.db2.gz XAYSXAGYUBOTTG-JOCHJYFZSA-N 1 0 418.541 3.633 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)C2)n1 ZINC000472304463 993316867 /nfs/dbraw/zinc/31/68/67/993316867.db2.gz WAFVQVVMVXHIGC-OAQYLSRUSA-N 1 0 403.530 3.713 20 30 HHEDRO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000472322942 993333456 /nfs/dbraw/zinc/33/34/56/993333456.db2.gz GWTSQGPLWTXSLW-SJORKVTESA-N 1 0 416.591 3.548 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000472355325 993355382 /nfs/dbraw/zinc/35/53/82/993355382.db2.gz WZXWJDVIULMSMO-SDHSZQHLSA-N 1 0 412.537 3.754 20 30 HHEDRO CCOCCC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000472634787 993574989 /nfs/dbraw/zinc/57/49/89/993574989.db2.gz DCXSUXMLIJPZEN-UHFFFAOYSA-N 1 0 412.578 3.763 20 30 HHEDRO C[NH+](C)CCOc1cc(NC(=O)c2ccccc2Oc2ccccc2C#N)ccn1 ZINC000480870185 993738644 /nfs/dbraw/zinc/73/86/44/993738644.db2.gz ZEBQZRWCOAJZTG-UHFFFAOYSA-N 1 0 402.454 3.938 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000481026242 993870812 /nfs/dbraw/zinc/87/08/12/993870812.db2.gz RFQZTNUPQOJAOZ-QGZVFWFLSA-N 1 0 415.534 3.691 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)c2nc3ccccc3n2C)c(OC)c1 ZINC000473157866 994028942 /nfs/dbraw/zinc/02/89/42/994028942.db2.gz GPKOKFMPKOJICW-SFHVURJKSA-N 1 0 409.530 3.575 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000481219511 994052307 /nfs/dbraw/zinc/05/23/07/994052307.db2.gz FJVUVUDBFHUWTE-UHFFFAOYSA-N 1 0 406.939 3.782 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000481266610 994085007 /nfs/dbraw/zinc/08/50/07/994085007.db2.gz CXVCXVCPCPAZDO-FGZHOGPDSA-N 1 0 422.598 3.978 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473497002 994342778 /nfs/dbraw/zinc/34/27/78/994342778.db2.gz PTVZGUXBDRCFFU-CPJSRVTESA-N 1 0 403.526 3.840 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503783 994352118 /nfs/dbraw/zinc/35/21/18/994352118.db2.gz MULMWOPSUVCXTH-NBGIEHNGSA-N 1 0 403.526 3.840 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000473513691 994366443 /nfs/dbraw/zinc/36/64/43/994366443.db2.gz OMQPXBGIVCAKKI-UHFFFAOYSA-N 1 0 404.558 3.624 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473614431 994495394 /nfs/dbraw/zinc/49/53/94/994495394.db2.gz BUFVSMFMYWZQPW-OAQYLSRUSA-N 1 0 405.502 3.759 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000473668062 994556439 /nfs/dbraw/zinc/55/64/39/994556439.db2.gz RKJLTJWFBQASNR-UHFFFAOYSA-N 1 0 421.545 3.888 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000481739524 994594734 /nfs/dbraw/zinc/59/47/34/994594734.db2.gz LZJBXENYUSTQLA-CQSZACIVSA-N 1 0 400.548 3.705 20 30 HHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000481843161 994697880 /nfs/dbraw/zinc/69/78/80/994697880.db2.gz TUOVDFGWFGDDBB-XIRDDKMYSA-N 1 0 403.548 3.923 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000473782484 994705109 /nfs/dbraw/zinc/70/51/09/994705109.db2.gz AVCQADIVZGTFMZ-UHFFFAOYSA-N 1 0 408.428 3.590 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Nc2nc(C)cs2)CC1)C(C)C ZINC000473886685 994836032 /nfs/dbraw/zinc/83/60/32/994836032.db2.gz RETNDDCZMPJIPY-LJQANCHMSA-N 1 0 405.612 3.736 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)CSc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482009343 994914436 /nfs/dbraw/zinc/91/44/36/994914436.db2.gz KGADPWPCQNGYJM-GMAHTHKFSA-N 1 0 407.539 3.753 20 30 HHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000482020367 994932301 /nfs/dbraw/zinc/93/23/01/994932301.db2.gz ZHXRJEHHBLAQHS-UHFFFAOYSA-N 1 0 421.541 3.710 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(Br)cc1 ZINC000482074808 995010256 /nfs/dbraw/zinc/01/02/56/995010256.db2.gz XSAGQQCWJQVPCU-UHFFFAOYSA-N 1 0 414.347 3.844 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)c1 ZINC000474271102 995267803 /nfs/dbraw/zinc/26/78/03/995267803.db2.gz ZPVSLSSNXDMYPX-UHFFFAOYSA-N 1 0 420.904 3.643 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+]C2(CCO)CCCCC2)cc1 ZINC000474280725 995275897 /nfs/dbraw/zinc/27/58/97/995275897.db2.gz YAQAHCRCLVHGQC-UHFFFAOYSA-N 1 0 424.545 3.588 20 30 HHEDRO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000482561239 995567928 /nfs/dbraw/zinc/56/79/28/995567928.db2.gz KDQLHEJFAXBNAQ-UHFFFAOYSA-N 1 0 411.303 3.984 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@@H](CC#N)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000474772760 995700933 /nfs/dbraw/zinc/70/09/33/995700933.db2.gz GDRTVNOOHQCRAW-YOSAUDMPSA-N 1 0 405.542 4.000 20 30 HHEDRO CC1(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000482721048 995706769 /nfs/dbraw/zinc/70/67/69/995706769.db2.gz SLKIMXLUNPFYQK-XMMPIXPASA-N 1 0 416.569 3.698 20 30 HHEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000474792241 995712797 /nfs/dbraw/zinc/71/27/97/995712797.db2.gz VBDCEBBUOXOQQQ-IBGZPJMESA-N 1 0 422.598 3.606 20 30 HHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC[C@@H]21 ZINC000482974575 995893530 /nfs/dbraw/zinc/89/35/30/995893530.db2.gz BFYNBOGDRSJGTE-KNQAVFIVSA-N 1 0 417.513 3.759 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000483280832 996078306 /nfs/dbraw/zinc/07/83/06/996078306.db2.gz AQNWQZZRYBKNIY-KNKQGSTJSA-N 1 0 415.484 3.517 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000483280826 996078339 /nfs/dbraw/zinc/07/83/39/996078339.db2.gz AQNWQZZRYBKNIY-DXIQSLLYSA-N 1 0 415.484 3.517 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000483280831 996078362 /nfs/dbraw/zinc/07/83/62/996078362.db2.gz AQNWQZZRYBKNIY-JQVVWYNYSA-N 1 0 415.484 3.517 20 30 HHEDRO C=C(C)[C@@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315045 996093792 /nfs/dbraw/zinc/09/37/92/996093792.db2.gz NAXBLZMQTVCCDK-GGAORHGYSA-N 1 0 415.484 3.518 20 30 HHEDRO CN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000483345229 996113001 /nfs/dbraw/zinc/11/30/01/996113001.db2.gz CEYLJWQGKXKCBJ-UHFFFAOYSA-N 1 0 418.419 3.723 20 30 HHEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)C1 ZINC000475425201 996129772 /nfs/dbraw/zinc/12/97/72/996129772.db2.gz WVFHZSAHNSNSCJ-IHPCNDPISA-N 1 0 405.473 3.705 20 30 HHEDRO C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000475444953 996144365 /nfs/dbraw/zinc/14/43/65/996144365.db2.gz JLIQCRLNZKXLRA-QGZVFWFLSA-N 1 0 408.521 3.870 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483494249 996216996 /nfs/dbraw/zinc/21/69/96/996216996.db2.gz WCMZBLNNZFKCLO-ILBGXUMGSA-N 1 0 416.569 3.920 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@]2(CO)CC(C)C)c1C#N ZINC000475711246 996315377 /nfs/dbraw/zinc/31/53/77/996315377.db2.gz VQTCRFGHSAMFSJ-RUZDIDTESA-N 1 0 422.573 3.836 20 30 HHEDRO COCCC1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCCCC1 ZINC000483679067 996324346 /nfs/dbraw/zinc/32/43/46/996324346.db2.gz HFPUWWFKTCKBCJ-UHFFFAOYSA-N 1 0 400.567 3.618 20 30 HHEDRO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000483736271 996357571 /nfs/dbraw/zinc/35/75/71/996357571.db2.gz XYLZOOCTECPZCZ-IRLDBZIGSA-N 1 0 406.530 3.713 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475789876 996372795 /nfs/dbraw/zinc/37/27/95/996372795.db2.gz KRPDMARZZSHXTB-PZJWPPBQSA-N 1 0 403.592 3.775 20 30 HHEDRO N#CC1(CS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000475810852 996385902 /nfs/dbraw/zinc/38/59/02/996385902.db2.gz WXMCZYZQWHKGQC-SEJPIABJSA-N 1 0 401.576 3.575 20 30 HHEDRO CN(Cc1cccc(C#N)c1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000484021072 996525545 /nfs/dbraw/zinc/52/55/45/996525545.db2.gz AUVNHNVIDGPDRH-UHFFFAOYSA-N 1 0 420.557 3.771 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000476187296 996665325 /nfs/dbraw/zinc/66/53/25/996665325.db2.gz HMXANUGBDMEZCH-FQEVSTJZSA-N 1 0 406.530 3.863 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476187329 996665333 /nfs/dbraw/zinc/66/53/33/996665333.db2.gz HMXANUGBDMEZCH-HXUWFJFHSA-N 1 0 406.530 3.863 20 30 HHEDRO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000484299422 996687930 /nfs/dbraw/zinc/68/79/30/996687930.db2.gz PEBZDMXOOVEZRV-XMMPIXPASA-N 1 0 405.498 3.527 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000484342582 996715880 /nfs/dbraw/zinc/71/58/80/996715880.db2.gz QXVPUESWYRMWCR-MRXNPFEDSA-N 1 0 414.575 3.543 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476279841 996727997 /nfs/dbraw/zinc/72/79/97/996727997.db2.gz GTTXSEUZPIDRNL-HSZRJFAPSA-N 1 0 410.606 3.729 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1cccs1 ZINC000476330181 996760624 /nfs/dbraw/zinc/76/06/24/996760624.db2.gz YHGISAKDJGXJFN-KDOFPFPSSA-N 1 0 409.964 3.635 20 30 HHEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000476454004 996927646 /nfs/dbraw/zinc/92/76/46/996927646.db2.gz USCIGRQMVXIVEE-UHFFFAOYSA-N 1 0 423.460 3.867 20 30 HHEDRO CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000476468935 996945741 /nfs/dbraw/zinc/94/57/41/996945741.db2.gz FJZWAWOINFIJBK-GOTSBHOMSA-N 1 0 410.606 3.897 20 30 HHEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000485013531 997378778 /nfs/dbraw/zinc/37/87/78/997378778.db2.gz ICQNLMFWNPRTTD-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(OCC(F)(F)F)nc3)CC2)c1 ZINC000485119730 997503640 /nfs/dbraw/zinc/50/36/40/997503640.db2.gz MHBYJLDUTIBYET-UHFFFAOYSA-N 1 0 418.419 3.745 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477004736 997636505 /nfs/dbraw/zinc/63/65/05/997636505.db2.gz PYVNYWGWKHXWLR-KKSFZXQISA-N 1 0 400.885 3.572 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@]4(CCCOC4)C3)sc2C1 ZINC000477043560 997678988 /nfs/dbraw/zinc/67/89/88/997678988.db2.gz NFGYSDQMONRCQU-ZHRRBRCNSA-N 1 0 401.576 3.966 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485314060 997723543 /nfs/dbraw/zinc/72/35/43/997723543.db2.gz CMKFRUQMFCDUSY-JTDSTZFVSA-N 1 0 400.592 3.632 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000477138254 997795061 /nfs/dbraw/zinc/79/50/61/997795061.db2.gz WMJDOVIFEHVBOQ-QFIPXVFZSA-N 1 0 422.529 3.564 20 30 HHEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000477499926 998222178 /nfs/dbraw/zinc/22/21/78/998222178.db2.gz ARLOATTXUIIHKV-QGZVFWFLSA-N 1 0 417.497 3.702 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)c(F)c1 ZINC000477728814 998460138 /nfs/dbraw/zinc/46/01/38/998460138.db2.gz WWYDYWJMFXJGML-OAQYLSRUSA-N 1 0 407.505 3.868 20 30 HHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000486238987 998668553 /nfs/dbraw/zinc/66/85/53/998668553.db2.gz GJOPYEOJAGVLAZ-SFHVURJKSA-N 1 0 409.555 3.914 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC)cc2OC2CCCC2)CC1 ZINC000477949983 998676881 /nfs/dbraw/zinc/67/68/81/998676881.db2.gz GOYPJWHQEZLKJM-UHFFFAOYSA-N 1 0 401.551 3.856 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000478023467 998718534 /nfs/dbraw/zinc/71/85/34/998718534.db2.gz ZWHVZZBCXMSMCS-DNQXCXABSA-N 1 0 418.541 3.552 20 30 HHEDRO Cn1cc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000478258891 998849819 /nfs/dbraw/zinc/84/98/19/998849819.db2.gz UFMVQCSTVVOBBO-UHFFFAOYSA-N 1 0 400.461 3.616 20 30 HHEDRO Cn1cc(C[NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478327960 998890754 /nfs/dbraw/zinc/89/07/54/998890754.db2.gz NQPJBCULAKKNKD-HXUWFJFHSA-N 1 0 421.495 3.991 20 30 HHEDRO Cc1cc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)ccc1C#N ZINC000486808295 998949260 /nfs/dbraw/zinc/94/92/60/998949260.db2.gz CBBZAQGXYLWQKH-UHFFFAOYSA-N 1 0 407.543 3.729 20 30 HHEDRO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br ZINC000486861802 998978831 /nfs/dbraw/zinc/97/88/31/998978831.db2.gz AQNWAGQOUUPCGH-MRXNPFEDSA-N 1 0 404.333 3.581 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(-n2ccnc2)cc1 ZINC000478534599 999014218 /nfs/dbraw/zinc/01/42/18/999014218.db2.gz KWMZYONLTBHSGP-UHFFFAOYSA-N 1 0 408.575 3.971 20 30 HHEDRO Cc1cc(C)n(-c2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000479210971 999327357 /nfs/dbraw/zinc/32/73/57/999327357.db2.gz DHWLGWOCKCLENK-UHFFFAOYSA-N 1 0 413.525 3.777 20 30 HHEDRO COc1ccc(S[C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479223542 999332462 /nfs/dbraw/zinc/33/24/62/999332462.db2.gz VRRFKBBBWNDFSW-SFHVURJKSA-N 1 0 409.555 3.850 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCC[C@@H]1C ZINC000487991880 999339821 /nfs/dbraw/zinc/33/98/21/999339821.db2.gz UFDJJQRZGMPJQR-HRAATJIYSA-N 1 0 412.534 3.693 20 30 HHEDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479288678 999366819 /nfs/dbraw/zinc/36/68/19/999366819.db2.gz XRELYNUKAAWHOU-GCJKJVERSA-N 1 0 416.525 3.569 20 30 HHEDRO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479288676 999366946 /nfs/dbraw/zinc/36/69/46/999366946.db2.gz XRELYNUKAAWHOU-AVRDEDQJSA-N 1 0 416.525 3.569 20 30 HHEDRO COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000479490592 999441336 /nfs/dbraw/zinc/44/13/36/999441336.db2.gz SSOWPSNCLVGMBV-QHCPKHFHSA-N 1 0 424.497 3.989 20 30 HHEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000488478842 999501357 /nfs/dbraw/zinc/50/13/57/999501357.db2.gz CAAUNDFNAZWDFZ-QMHKHESXSA-N 1 0 417.488 3.643 20 30 HHEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000488479821 999501829 /nfs/dbraw/zinc/50/18/29/999501829.db2.gz BUFGXGYFCWCTAK-HRAATJIYSA-N 1 0 424.932 3.628 20 30 HHEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488497054 999507556 /nfs/dbraw/zinc/50/75/56/999507556.db2.gz KONGARNDHPQHRT-MGPUTAFESA-N 1 0 412.331 3.642 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000479630370 999509763 /nfs/dbraw/zinc/50/97/63/999509763.db2.gz AXORSBMDHXHKFG-LJQANCHMSA-N 1 0 421.566 3.894 20 30 HHEDRO C[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488613247 999545742 /nfs/dbraw/zinc/54/57/42/999545742.db2.gz PQWRGVKTVXSFPQ-IEXUWNMDSA-N 1 0 418.541 3.552 20 30 HHEDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000479892177 999638532 /nfs/dbraw/zinc/63/85/32/999638532.db2.gz MPRPFIRRUPZEAX-QGZVFWFLSA-N 1 0 401.514 3.777 20 30 HHEDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000479949859 999659980 /nfs/dbraw/zinc/65/99/80/999659980.db2.gz OVIZGYFGXWSXCI-UHFFFAOYSA-N 1 0 401.514 3.731 20 30 HHEDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479955135 999662114 /nfs/dbraw/zinc/66/21/14/999662114.db2.gz FHUKJSHMHIYMKJ-FQEVSTJZSA-N 1 0 421.932 3.989 20 30 HHEDRO Cn1cc(C[NH2+]CCCNc2ccc(C(F)(F)F)cn2)c(-c2ccc(C#N)cc2)n1 ZINC000479985197 999674345 /nfs/dbraw/zinc/67/43/45/999674345.db2.gz QMYLBUNVHNDQFP-UHFFFAOYSA-N 1 0 414.435 3.964 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000489026141 999675950 /nfs/dbraw/zinc/67/59/50/999675950.db2.gz OUMWBFSVVNPFNM-UHFFFAOYSA-N 1 0 406.530 3.731 20 30 HHEDRO Cn1cc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000480028310 999692776 /nfs/dbraw/zinc/69/27/76/999692776.db2.gz XFBUEGGMGMBZNG-UHFFFAOYSA-N 1 0 404.489 3.936 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000480306133 999767449 /nfs/dbraw/zinc/76/74/49/999767449.db2.gz ABVODLOWSNRCEX-JOCHJYFZSA-N 1 0 406.530 3.635 20 30 HHEDRO C=CCn1c(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1cccs1 ZINC000480398124 999789406 /nfs/dbraw/zinc/78/94/06/999789406.db2.gz YTJCSDAHMBKPRI-GOSISDBHSA-N 1 0 412.584 3.704 20 30 HHEDRO C=CCn1c(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccccc1C ZINC000480416822 999793562 /nfs/dbraw/zinc/79/35/62/999793562.db2.gz MYNAEWJPQLMXGY-OAQYLSRUSA-N 1 0 420.582 3.951 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)c(-c2ccccc2)n1 ZINC000480481640 999808850 /nfs/dbraw/zinc/80/88/50/999808850.db2.gz YINFNBWPQBPJER-GOSISDBHSA-N 1 0 410.468 3.683 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489844317 999848221 /nfs/dbraw/zinc/84/82/21/999848221.db2.gz LHGFWYDKPHHPMR-YKSBVNFPSA-N 1 0 420.557 3.627 20 30 HHEDRO Cc1csc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1Br ZINC000489891444 999856638 /nfs/dbraw/zinc/85/66/38/999856638.db2.gz VMQOTPJZTJWIBF-UHFFFAOYSA-N 1 0 406.349 3.895 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3SCCc4ccccc43)CC2)cc1 ZINC000489969209 999870736 /nfs/dbraw/zinc/87/07/36/999870736.db2.gz VSDYKBNAJLZUJL-HSZRJFAPSA-N 1 0 420.582 3.806 20 30 HHEDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)n2)CC1 ZINC000489986961 999873357 /nfs/dbraw/zinc/87/33/57/999873357.db2.gz RREVICIVGCPCLW-UHFFFAOYSA-N 1 0 415.497 3.853 20 30 HHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCC#Cc1ccccc1)C1CCCCC1 ZINC000490088671 999891303 /nfs/dbraw/zinc/89/13/03/999891303.db2.gz LIQLNOKXSMAWAT-UHFFFAOYSA-N 1 0 403.526 3.558 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000490346250 999941874 /nfs/dbraw/zinc/94/18/74/999941874.db2.gz OCPXWSZHQOFROM-KRWDZBQOSA-N 1 0 402.608 3.951 20 30 HHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[C@@H]2C1 ZINC000490396539 999950798 /nfs/dbraw/zinc/95/07/98/999950798.db2.gz DLOJWGQRNRHEBJ-NFBKMPQASA-N 1 0 404.514 3.890 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000490525986 999972474 /nfs/dbraw/zinc/97/24/74/999972474.db2.gz FRAQWMXJCALSQS-VWLOTQADSA-N 1 0 421.541 3.897 20 30 HHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490583365 999980118 /nfs/dbraw/zinc/98/01/18/999980118.db2.gz BSPOTRUZGPFMTC-UHFFFAOYSA-N 1 0 400.530 3.631 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000491091276 1000044546 /nfs/dbraw/zinc/04/45/46/1000044546.db2.gz OMSYEZYPRVZWFH-KRWDZBQOSA-N 1 0 403.546 3.658 20 30 HHEDRO COC(=O)[C@H](C)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000491139428 1000049337 /nfs/dbraw/zinc/04/93/37/1000049337.db2.gz ISJPPGJVPLAYQJ-GOSISDBHSA-N 1 0 402.498 3.770 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000491567165 1000084287 /nfs/dbraw/zinc/08/42/87/1000084287.db2.gz DUFYETNAENQQFZ-UHFFFAOYSA-N 1 0 405.542 3.813 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000492220076 1000116035 /nfs/dbraw/zinc/11/60/35/1000116035.db2.gz ROQMYIWCMSVUCQ-UHFFFAOYSA-N 1 0 410.587 3.712 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cc1OC ZINC000492257012 1000118426 /nfs/dbraw/zinc/11/84/26/1000118426.db2.gz IPZLGJKFRARWNV-QGZVFWFLSA-N 1 0 410.283 3.985 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](CO)c3ccc(Br)c(F)c3)CC2)cc1 ZINC000492312414 1000121264 /nfs/dbraw/zinc/12/12/64/1000121264.db2.gz LFHHMBGOJIUDCY-HXUWFJFHSA-N 1 0 418.310 3.752 20 30 HHEDRO CN(Cc1cc(C#N)ccc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000492480841 1000128534 /nfs/dbraw/zinc/12/85/34/1000128534.db2.gz BOPQEUSKOMAUHP-UHFFFAOYSA-N 1 0 413.363 3.855 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000493915914 1000211839 /nfs/dbraw/zinc/21/18/39/1000211839.db2.gz GIPNXQJIKFTSBM-FYYLOGMGSA-N 1 0 413.468 3.948 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000504455849 1000216190 /nfs/dbraw/zinc/21/61/90/1000216190.db2.gz NXPBMGFSFHBNDH-UHFFFAOYSA-N 1 0 420.557 3.833 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCS[C@H](C)CC2)c1C#N ZINC000494068510 1000293084 /nfs/dbraw/zinc/29/30/84/1000293084.db2.gz ICYIGDKZYMGYIJ-OAHLLOKOSA-N 1 0 400.548 3.774 20 30 HHEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000494252260 1000390499 /nfs/dbraw/zinc/39/04/99/1000390499.db2.gz WPQPKKJFDKWSFD-VQIMIIECSA-N 1 0 405.832 3.875 20 30 HHEDRO C=CCCc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000505010726 1000504232 /nfs/dbraw/zinc/50/42/32/1000504232.db2.gz LDWDTGFEFXTQIC-QFIPXVFZSA-N 1 0 420.557 3.824 20 30 HHEDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494812988 1000672127 /nfs/dbraw/zinc/67/21/27/1000672127.db2.gz ZUURTDWPOHXZJS-RTBURBONSA-N 1 0 412.578 3.867 20 30 HHEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000505328405 1000705085 /nfs/dbraw/zinc/70/50/85/1000705085.db2.gz FWHZGOWQBUCETI-QGZVFWFLSA-N 1 0 404.580 3.597 20 30 HHEDRO Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)[nH]n2)c(C)c1 ZINC000495063085 1000809589 /nfs/dbraw/zinc/80/95/89/1000809589.db2.gz WHTSRPAEGNULAN-UHFFFAOYSA-N 1 0 401.514 3.769 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000495314912 1000964024 /nfs/dbraw/zinc/96/40/24/1000964024.db2.gz QIMMHUGTYJIIKX-KRWDZBQOSA-N 1 0 424.570 3.516 20 30 HHEDRO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000505758776 1001009513 /nfs/dbraw/zinc/00/95/13/1001009513.db2.gz QRJUYTGPTRNFEP-JOCHJYFZSA-N 1 0 419.953 3.682 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000495576810 1001047287 /nfs/dbraw/zinc/04/72/87/1001047287.db2.gz JUDMYPAZUCQWPS-MRXNPFEDSA-N 1 0 409.555 3.773 20 30 HHEDRO C=C(C)C[N@@H+](CC)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000505891796 1001084309 /nfs/dbraw/zinc/08/43/09/1001084309.db2.gz POSWCLYCIGECPQ-UHFFFAOYSA-N 1 0 413.356 3.713 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000505929358 1001108929 /nfs/dbraw/zinc/10/89/29/1001108929.db2.gz CIYQKIZZRIKUJD-CTNGQTDRSA-N 1 0 400.563 3.916 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccccc1C(=O)OC ZINC000505945207 1001118682 /nfs/dbraw/zinc/11/86/82/1001118682.db2.gz YWFLBHPANIIYGT-UHFFFAOYSA-N 1 0 400.548 3.571 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000496125484 1001128238 /nfs/dbraw/zinc/12/82/38/1001128238.db2.gz BUXSVVGBBLMQIW-CTNGQTDRSA-N 1 0 421.541 3.607 20 30 HHEDRO C[N@@H+]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 ZINC000496357582 1001164769 /nfs/dbraw/zinc/16/47/69/1001164769.db2.gz HMANOFAUOWSNRI-UHFFFAOYSA-N 1 0 423.464 3.794 20 30 HHEDRO CC(C)c1ccc(OCCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000506079136 1001207831 /nfs/dbraw/zinc/20/78/31/1001207831.db2.gz JHHFLWYIIXFVST-UHFFFAOYSA-N 1 0 420.557 3.978 20 30 HHEDRO CC(C)c1ccc(OCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000506099130 1001219594 /nfs/dbraw/zinc/21/95/94/1001219594.db2.gz ZRUXXNVEOYVVEO-UHFFFAOYSA-N 1 0 408.546 3.834 20 30 HHEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1 ZINC000506175612 1001261008 /nfs/dbraw/zinc/26/10/08/1001261008.db2.gz UGLRHWTVVHGYCF-GOSISDBHSA-N 1 0 421.541 3.866 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccc(Cl)cc1 ZINC000506227145 1001291629 /nfs/dbraw/zinc/29/16/29/1001291629.db2.gz NWMJKEAIPISXEB-FQEVSTJZSA-N 1 0 412.921 3.658 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000497704830 1001491014 /nfs/dbraw/zinc/49/10/14/1001491014.db2.gz KYIHYAJEVDMBJA-NRFANRHFSA-N 1 0 407.514 3.679 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000497770269 1001509710 /nfs/dbraw/zinc/50/97/10/1001509710.db2.gz XKVMMUWZDFKZFZ-UHFFFAOYSA-N 1 0 404.514 3.607 20 30 HHEDRO COC(=O)c1ccc(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000506937455 1001603982 /nfs/dbraw/zinc/60/39/82/1001603982.db2.gz ROFMFVNACRGFQA-UHFFFAOYSA-N 1 0 414.893 3.594 20 30 HHEDRO Cc1c(C#N)cccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507247641 1001931651 /nfs/dbraw/zinc/93/16/51/1001931651.db2.gz KTUZKLSRIIAUIE-JOCHJYFZSA-N 1 0 403.526 3.525 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Br)cc2Br)CC1 ZINC000507280669 1001965105 /nfs/dbraw/zinc/96/51/05/1001965105.db2.gz FPCCBNCDPGHXBT-UHFFFAOYSA-N 1 0 402.130 3.592 20 30 HHEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507410875 1002056433 /nfs/dbraw/zinc/05/64/33/1002056433.db2.gz ZIFNJRUBCPXSOU-CTNGQTDRSA-N 1 0 407.514 3.682 20 30 HHEDRO CCCCCC(=O)NC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000498667917 1002061346 /nfs/dbraw/zinc/06/13/46/1002061346.db2.gz PWXSQCPXHSHARF-UHFFFAOYSA-N 1 0 404.942 3.701 20 30 HHEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3cccc(CC#N)c3)c(OCC)c2)CC1 ZINC000507611918 1002217856 /nfs/dbraw/zinc/21/78/56/1002217856.db2.gz VHHGQOITUYOUFB-UHFFFAOYSA-N 1 0 406.530 3.936 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)CC1 ZINC000507639628 1002241267 /nfs/dbraw/zinc/24/12/67/1002241267.db2.gz XHIYQXJWCSKWNF-GXUWAKPLSA-N 1 0 403.570 3.924 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1ccc(F)cc1F ZINC000507715916 1002305996 /nfs/dbraw/zinc/30/59/96/1002305996.db2.gz UVKPWHYHCUAGGQ-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO Cc1nn2c(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)c(C(C)C)nc2s1 ZINC000507760773 1002329877 /nfs/dbraw/zinc/32/98/77/1002329877.db2.gz UHGKFJZYVUWTOH-UHFFFAOYSA-N 1 0 410.547 3.969 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000507791963 1002347391 /nfs/dbraw/zinc/34/73/91/1002347391.db2.gz GRQMDDWZRKPYOM-KRWDZBQOSA-N 1 0 421.379 3.676 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507847872 1002386710 /nfs/dbraw/zinc/38/67/10/1002386710.db2.gz KSNSGNBOFUDWME-NRFANRHFSA-N 1 0 422.525 3.578 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cncn4)cc3)n2c1 ZINC000507849881 1002388248 /nfs/dbraw/zinc/38/82/48/1002388248.db2.gz FICZGISXIDYPGM-UHFFFAOYSA-N 1 0 419.492 3.803 20 30 HHEDRO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499048053 1002428802 /nfs/dbraw/zinc/42/88/02/1002428802.db2.gz LSAXGQVMWDPFGF-GOSISDBHSA-N 1 0 418.545 3.786 20 30 HHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Br ZINC000499054089 1002436799 /nfs/dbraw/zinc/43/67/99/1002436799.db2.gz PWUACHFWDPCYBN-UHFFFAOYSA-N 1 0 416.319 3.533 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1c(Cl)cccc1Cl ZINC000499059815 1002442678 /nfs/dbraw/zinc/44/26/78/1002442678.db2.gz ROFYKALDZHZTHY-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1cccc2c1CN(CCC)C2 ZINC000508006040 1002533533 /nfs/dbraw/zinc/53/35/33/1002533533.db2.gz OGIRQIQQMGNLRL-UHFFFAOYSA-N 1 0 423.561 3.733 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000508163811 1002701607 /nfs/dbraw/zinc/70/16/07/1002701607.db2.gz YSAHZUOEKRCQLI-BGYRXZFFSA-N 1 0 412.578 3.869 20 30 HHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000499555844 1002937301 /nfs/dbraw/zinc/93/73/01/1002937301.db2.gz DITMSYUBKRUYEQ-UHFFFAOYSA-N 1 0 424.492 3.762 20 30 HHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000508473638 1002958533 /nfs/dbraw/zinc/95/85/33/1002958533.db2.gz PWWRRWKQSYIKHU-NRFANRHFSA-N 1 0 401.599 3.526 20 30 HHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508476019 1002961035 /nfs/dbraw/zinc/96/10/35/1002961035.db2.gz AHBRVJTYDHAEJK-IFMALSPDSA-N 1 0 402.546 3.950 20 30 HHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508476021 1002961010 /nfs/dbraw/zinc/96/10/10/1002961010.db2.gz AHBRVJTYDHAEJK-RBBKRZOGSA-N 1 0 402.546 3.950 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H]1C ZINC000499585394 1002961749 /nfs/dbraw/zinc/96/17/49/1002961749.db2.gz HILIAMMQROQMOT-IAGOWNOFSA-N 1 0 405.502 3.757 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508491095 1002973539 /nfs/dbraw/zinc/97/35/39/1002973539.db2.gz FLPWGCWGVYCCQK-WZONZLPQSA-N 1 0 416.573 3.989 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508506042 1002988013 /nfs/dbraw/zinc/98/80/13/1002988013.db2.gz OXIIHVGAHUDIBX-UHFFFAOYSA-N 1 0 409.578 3.570 20 30 HHEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000508507679 1002989320 /nfs/dbraw/zinc/98/93/20/1002989320.db2.gz UOFCZQFFDXFNDD-UHFFFAOYSA-N 1 0 417.557 3.509 20 30 HHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508690515 1003128045 /nfs/dbraw/zinc/12/80/45/1003128045.db2.gz XCIVCIIUUWOUJY-NRFANRHFSA-N 1 0 409.578 3.972 20 30 HHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508715954 1003155612 /nfs/dbraw/zinc/15/56/12/1003155612.db2.gz QDVBGRZQNWTGMT-QFIPXVFZSA-N 1 0 403.530 3.791 20 30 HHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508741820 1003179269 /nfs/dbraw/zinc/17/92/69/1003179269.db2.gz ZFJHHWDZDWQRTR-UHFFFAOYSA-N 1 0 420.561 3.694 20 30 HHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000508850676 1003271710 /nfs/dbraw/zinc/27/17/10/1003271710.db2.gz VUQOVJYIQYNIQU-UHFFFAOYSA-N 1 0 414.642 3.582 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508853991 1003273954 /nfs/dbraw/zinc/27/39/54/1003273954.db2.gz AQXUPCGLNKWMLD-INIZCTEOSA-N 1 0 405.493 3.901 20 30 HHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508862231 1003281672 /nfs/dbraw/zinc/28/16/72/1003281672.db2.gz CYSVSOVEOWRKTR-DWLFOUALSA-N 1 0 405.546 3.593 20 30 HHEDRO C=CCn1c(-c2cccc3ccccc32)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000508865697 1003284719 /nfs/dbraw/zinc/28/47/19/1003284719.db2.gz WJTKEEVTVPKRNU-UHFFFAOYSA-N 1 0 417.557 3.833 20 30 HHEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000508893228 1003322899 /nfs/dbraw/zinc/32/28/99/1003322899.db2.gz FRXDMVKCCZXWFA-GOSISDBHSA-N 1 0 408.550 3.550 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508895280 1003325270 /nfs/dbraw/zinc/32/52/70/1003325270.db2.gz OCOPSGXXTKCNDS-UHFFFAOYSA-N 1 0 404.518 3.851 20 30 HHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508896867 1003327506 /nfs/dbraw/zinc/32/75/06/1003327506.db2.gz VAMZOAKYTJXIQP-RTBURBONSA-N 1 0 413.566 3.748 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508897579 1003329219 /nfs/dbraw/zinc/32/92/19/1003329219.db2.gz NYBJOUNZBRIIQQ-CVDCTZTESA-N 1 0 408.546 3.716 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508901518 1003336290 /nfs/dbraw/zinc/33/62/90/1003336290.db2.gz UUXVSPBSUOQVPS-SBUREZEXSA-N 1 0 424.520 3.942 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000508917689 1003356510 /nfs/dbraw/zinc/35/65/10/1003356510.db2.gz KIIJZUZFKWTEFC-QFIPXVFZSA-N 1 0 409.578 3.555 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1cccc(Cl)c1 ZINC000508930994 1003378096 /nfs/dbraw/zinc/37/80/96/1003378096.db2.gz AWJIQLUNXDYUFU-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508940673 1003391006 /nfs/dbraw/zinc/39/10/06/1003391006.db2.gz ZEEJEHUJZOQYLN-IBGZPJMESA-N 1 0 410.566 3.501 20 30 HHEDRO C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508956377 1003414022 /nfs/dbraw/zinc/41/40/22/1003414022.db2.gz PHSMDQGHHAASTI-UHFFFAOYSA-N 1 0 413.566 3.894 20 30 HHEDRO Cc1onc(CC(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)c1C#N ZINC000500100296 1003461807 /nfs/dbraw/zinc/46/18/07/1003461807.db2.gz RUYLODQWJQEDIG-UHFFFAOYSA-N 1 0 402.498 3.606 20 30 HHEDRO C=CCn1c(CC(C)(C)C)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508994777 1003466546 /nfs/dbraw/zinc/46/65/46/1003466546.db2.gz JGESOVNHKFXIRK-RTBURBONSA-N 1 0 403.615 3.768 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1c(F)cccc1N1CCCC1 ZINC000509021804 1003493715 /nfs/dbraw/zinc/49/37/15/1003493715.db2.gz JIZCPGZOHYWQDK-UHFFFAOYSA-N 1 0 423.536 3.571 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000500236646 1003573087 /nfs/dbraw/zinc/57/30/87/1003573087.db2.gz ODMHXWDQMKGKEZ-JOCHJYFZSA-N 1 0 422.573 3.967 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511823166 1003793031 /nfs/dbraw/zinc/79/30/31/1003793031.db2.gz KMFFLVADHVWTOJ-DNVCBOLYSA-N 1 0 417.431 3.735 20 30 HHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000500588598 1003802436 /nfs/dbraw/zinc/80/24/36/1003802436.db2.gz YGHCLKTZIAEXRB-SFHVURJKSA-N 1 0 404.436 3.858 20 30 HHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511886517 1003862796 /nfs/dbraw/zinc/86/27/96/1003862796.db2.gz DPOZQKYBUHHIOM-ZLNRFVROSA-N 1 0 411.509 3.951 20 30 HHEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511886518 1003862981 /nfs/dbraw/zinc/86/29/81/1003862981.db2.gz DPOZQKYBUHHIOM-ZRBLBEILSA-N 1 0 411.509 3.951 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000509492290 1003902600 /nfs/dbraw/zinc/90/26/00/1003902600.db2.gz KTAAWYNNOAFCBL-HNNXBMFYSA-N 1 0 414.912 3.984 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000509555628 1003942394 /nfs/dbraw/zinc/94/23/94/1003942394.db2.gz JHOGBVXUTHERDK-FQEVSTJZSA-N 1 0 400.542 3.685 20 30 HHEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000509641238 1003999681 /nfs/dbraw/zinc/99/96/81/1003999681.db2.gz OTVLVRVTQJBELR-HXUWFJFHSA-N 1 0 405.951 3.714 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCCN3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000509652196 1004006164 /nfs/dbraw/zinc/00/61/64/1004006164.db2.gz NCUCVEKMBXVRAU-UHFFFAOYSA-N 1 0 404.558 3.614 20 30 HHEDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000509786803 1004095982 /nfs/dbraw/zinc/09/59/82/1004095982.db2.gz BTSOYHGCRJAAQU-SFHVURJKSA-N 1 0 416.591 3.744 20 30 HHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512285412 1004188255 /nfs/dbraw/zinc/18/82/55/1004188255.db2.gz IBRVMSHGEZSOHG-KOSHJBKYSA-N 1 0 406.530 3.693 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)C2=O)cc1 ZINC000512292356 1004195897 /nfs/dbraw/zinc/19/58/97/1004195897.db2.gz GWJLLPKMPUFPGC-RSXGOPAZSA-N 1 0 414.553 3.652 20 30 HHEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCc2ccccc2C1 ZINC000512318825 1004214329 /nfs/dbraw/zinc/21/43/29/1004214329.db2.gz SJAPXNTZYUEZGO-NRFANRHFSA-N 1 0 400.444 3.662 20 30 HHEDRO Cc1cc(C#N)ccc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000501207880 1004280235 /nfs/dbraw/zinc/28/02/35/1004280235.db2.gz IMUHXXOFOWWQGV-UHFFFAOYSA-N 1 0 413.319 3.633 20 30 HHEDRO N#Cc1cc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)ccc1OCC(F)(F)F ZINC000501216880 1004286665 /nfs/dbraw/zinc/28/66/65/1004286665.db2.gz LTLSLHDGDASGJA-UHFFFAOYSA-N 1 0 418.419 3.679 20 30 HHEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000510158528 1004365020 /nfs/dbraw/zinc/36/50/20/1004365020.db2.gz BDAYAGLXQRTMAS-AWEZNQCLSA-N 1 0 416.576 3.698 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000510247159 1004423418 /nfs/dbraw/zinc/42/34/18/1004423418.db2.gz VWSACHMIVHNNST-UHFFFAOYSA-N 1 0 420.561 3.675 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)CC2)c1 ZINC000512669737 1004479638 /nfs/dbraw/zinc/47/96/38/1004479638.db2.gz XTWUTWZWWSUJRG-UHFFFAOYSA-N 1 0 407.489 3.520 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512739923 1004530203 /nfs/dbraw/zinc/53/02/03/1004530203.db2.gz MHQBAFFEXRPCRW-APWZRJJASA-N 1 0 417.600 3.524 20 30 HHEDRO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512839585 1004599952 /nfs/dbraw/zinc/59/99/52/1004599952.db2.gz SSBDSHIBBQMIFI-HXUWFJFHSA-N 1 0 416.447 3.993 20 30 HHEDRO N#Cc1ncn(CC[NH2+]Cc2c(Cl)cccc2OCc2ccccc2Cl)n1 ZINC000512885002 1004648342 /nfs/dbraw/zinc/64/83/42/1004648342.db2.gz IUEFVSPHMGMRKB-UHFFFAOYSA-N 1 0 402.285 3.825 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501728323 1004651404 /nfs/dbraw/zinc/65/14/04/1004651404.db2.gz GGRZSGOVBRLAOK-XUZZJYLKSA-N 1 0 419.569 3.618 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501728324 1004651433 /nfs/dbraw/zinc/65/14/33/1004651433.db2.gz GGRZSGOVBRLAOK-ZJSXRUAMSA-N 1 0 419.569 3.618 20 30 HHEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000512896546 1004664560 /nfs/dbraw/zinc/66/45/60/1004664560.db2.gz VMYBLGSHRQTPOA-UHFFFAOYSA-N 1 0 402.285 3.825 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(C)(C)CCC#N ZINC000513113184 1004813545 /nfs/dbraw/zinc/81/35/45/1004813545.db2.gz KOTKIFXEGBRBFT-UHFFFAOYSA-N 1 0 409.372 3.852 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)N1CCCCCC1 ZINC000513184362 1004849885 /nfs/dbraw/zinc/84/98/85/1004849885.db2.gz RKGKEKHYEXUMHF-UHFFFAOYSA-N 1 0 416.591 3.552 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000513197255 1004855707 /nfs/dbraw/zinc/85/57/07/1004855707.db2.gz VBUVMJMZXDUTBW-QGZVFWFLSA-N 1 0 403.954 3.709 20 30 HHEDRO C[C@H]([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000513197254 1004855947 /nfs/dbraw/zinc/85/59/47/1004855947.db2.gz VBUVMJMZXDUTBW-KRWDZBQOSA-N 1 0 403.954 3.709 20 30 HHEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000513241053 1004876389 /nfs/dbraw/zinc/87/63/89/1004876389.db2.gz GLGVQNSIJBEWKD-HMXCVIKNSA-N 1 0 408.571 3.540 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000513274149 1004890804 /nfs/dbraw/zinc/89/08/04/1004890804.db2.gz PXEMDOGQEGVKHE-OAQYLSRUSA-N 1 0 407.514 3.507 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000510871763 1004902840 /nfs/dbraw/zinc/90/28/40/1004902840.db2.gz HPGSOENAPFRNMQ-UHFFFAOYSA-N 1 0 418.541 3.776 20 30 HHEDRO N#Cc1ccc(OCC[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)cc1 ZINC000510874676 1004904427 /nfs/dbraw/zinc/90/44/27/1004904427.db2.gz OLIDYSJTANJUTL-UHFFFAOYSA-N 1 0 415.291 3.691 20 30 HHEDRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502161584 1004930796 /nfs/dbraw/zinc/93/07/96/1004930796.db2.gz YFVKUNKZGMOUOJ-JOCHJYFZSA-N 1 0 420.513 3.635 20 30 HHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000513389759 1004938716 /nfs/dbraw/zinc/93/87/16/1004938716.db2.gz WSSDQSBQGKDDBS-SFTDATJTSA-N 1 0 416.569 3.856 20 30 HHEDRO COc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1OC ZINC000513422414 1004958834 /nfs/dbraw/zinc/95/88/34/1004958834.db2.gz UURVTYBZWYABSJ-SFHVURJKSA-N 1 0 424.545 3.718 20 30 HHEDRO CCOC(=O)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000502223770 1004966110 /nfs/dbraw/zinc/96/61/10/1004966110.db2.gz OSNVCKWMOYQPFV-UHFFFAOYSA-N 1 0 417.575 3.882 20 30 HHEDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000511030964 1004988442 /nfs/dbraw/zinc/98/84/42/1004988442.db2.gz RWSSNXCFLRRBPN-UHFFFAOYSA-N 1 0 420.557 3.548 20 30 HHEDRO COc1cc(C)c([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000502282241 1004991941 /nfs/dbraw/zinc/99/19/41/1004991941.db2.gz MQVGQKGLMHHEKB-GOSISDBHSA-N 1 0 424.545 3.718 20 30 HHEDRO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511059824 1005001994 /nfs/dbraw/zinc/00/19/94/1005001994.db2.gz OQBMCQJIHPQCKH-OAHLLOKOSA-N 1 0 406.370 3.838 20 30 HHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502337318 1005019798 /nfs/dbraw/zinc/01/97/98/1005019798.db2.gz AKYZWQKTKCGYMH-IBGZPJMESA-N 1 0 407.518 3.668 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000513562922 1005024685 /nfs/dbraw/zinc/02/46/85/1005024685.db2.gz NUSBHOVQDWXBGL-IBGZPJMESA-N 1 0 411.502 3.549 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000513660333 1005070847 /nfs/dbraw/zinc/07/08/47/1005070847.db2.gz HNBQAMCLLYLCBU-RUZDIDTESA-N 1 0 418.585 3.739 20 30 HHEDRO C[C@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1=CC[N@H+](C)CC1 ZINC000511249552 1005090618 /nfs/dbraw/zinc/09/06/18/1005090618.db2.gz LNYGYLZJOZCAFG-INIZCTEOSA-N 1 0 403.486 3.582 20 30 HHEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513713728 1005093487 /nfs/dbraw/zinc/09/34/87/1005093487.db2.gz SDZNLHOCTQDYDB-UHFFFAOYSA-N 1 0 417.469 3.910 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2cccs2)CC1 ZINC000502519820 1005099681 /nfs/dbraw/zinc/09/96/81/1005099681.db2.gz TWGBTRUDAMVCEM-VGSWGCGISA-N 1 0 419.591 3.899 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000511338601 1005129958 /nfs/dbraw/zinc/12/99/58/1005129958.db2.gz SDVIQEWOTJIQOB-JOCHJYFZSA-N 1 0 422.529 3.570 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000511383064 1005149591 /nfs/dbraw/zinc/14/95/91/1005149591.db2.gz MHYQKQDBUUATIX-JOCHJYFZSA-N 1 0 422.529 3.570 20 30 HHEDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000502732977 1005194814 /nfs/dbraw/zinc/19/48/14/1005194814.db2.gz PVNFOMCCIFUTAR-UHFFFAOYSA-N 1 0 418.607 3.748 20 30 HHEDRO C[C@@H]1CCC[C@H]([N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000513959646 1005203019 /nfs/dbraw/zinc/20/30/19/1005203019.db2.gz QUPXAWFSTHKLNF-GGDAVEFXSA-N 1 0 411.546 3.850 20 30 HHEDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000511510272 1005205783 /nfs/dbraw/zinc/20/57/83/1005205783.db2.gz XUDCPEBFUHAUKA-WMZHIEFXSA-N 1 0 421.541 3.500 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)c1 ZINC000511515688 1005207765 /nfs/dbraw/zinc/20/77/65/1005207765.db2.gz RGTYYIHTAHERSN-JOCHJYFZSA-N 1 0 417.513 3.903 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC000511542373 1005217034 /nfs/dbraw/zinc/21/70/34/1005217034.db2.gz OJDOMCZIMIPDRL-FQEVSTJZSA-N 1 0 403.404 3.814 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H]2CCCC23CCOCC3)c1C#N ZINC000502822561 1005232698 /nfs/dbraw/zinc/23/26/98/1005232698.db2.gz JIGRNOUVZTWEOY-OAQYLSRUSA-N 1 0 424.520 3.982 20 30 HHEDRO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000511670596 1005270049 /nfs/dbraw/zinc/27/00/49/1005270049.db2.gz HUEQVJLHKCAIDR-GOSISDBHSA-N 1 0 404.436 3.703 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000511701543 1005283243 /nfs/dbraw/zinc/28/32/43/1005283243.db2.gz HFFZXJHIKKPWAC-FPOVZHCZSA-N 1 0 421.541 3.607 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000511701542 1005283319 /nfs/dbraw/zinc/28/33/19/1005283319.db2.gz HFFZXJHIKKPWAC-CTNGQTDRSA-N 1 0 421.541 3.607 20 30 HHEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000502977284 1005300672 /nfs/dbraw/zinc/30/06/72/1005300672.db2.gz AZCNMSMAWUMREU-QFIPXVFZSA-N 1 0 417.575 3.744 20 30 HHEDRO CCN(CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1C ZINC000503245509 1005375785 /nfs/dbraw/zinc/37/57/85/1005375785.db2.gz XCFDHJILRGQRED-UHFFFAOYSA-N 1 0 419.573 3.611 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503416051 1005413777 /nfs/dbraw/zinc/41/37/77/1005413777.db2.gz PDDLBWLEZFNUDN-WOJBJXKFSA-N 1 0 405.546 3.734 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503416049 1005413834 /nfs/dbraw/zinc/41/38/34/1005413834.db2.gz PDDLBWLEZFNUDN-UXHICEINSA-N 1 0 405.546 3.734 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(Cl)c1 ZINC000503431648 1005418454 /nfs/dbraw/zinc/41/84/54/1005418454.db2.gz JDFPCMRPAJFVBK-UHFFFAOYSA-N 1 0 417.962 3.541 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccs1 ZINC000503453838 1005425020 /nfs/dbraw/zinc/42/50/20/1005425020.db2.gz GYJUIVBLTYOMMU-KDOFPFPSSA-N 1 0 409.964 3.635 20 30 HHEDRO N#CCc1ccc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000503718846 1005485572 /nfs/dbraw/zinc/48/55/72/1005485572.db2.gz SVBKPOQABLGBHP-UHFFFAOYSA-N 1 0 411.937 3.740 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503765296 1005490738 /nfs/dbraw/zinc/49/07/38/1005490738.db2.gz NWMMNUXAUFEFRE-XMMPIXPASA-N 1 0 402.542 3.820 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503766126 1005490919 /nfs/dbraw/zinc/49/09/19/1005490919.db2.gz QXAFJZWSUSIEJN-JIPZTSHUSA-N 1 0 417.962 3.647 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000503766945 1005491179 /nfs/dbraw/zinc/49/11/79/1005491179.db2.gz YPOGLOJASNVJTQ-UHFFFAOYSA-N 1 0 406.530 3.885 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(OCc4ccccn4)c3)C2=O)cc1 ZINC000503925515 1005513234 /nfs/dbraw/zinc/51/32/34/1005513234.db2.gz HEKOBWKQSSBSHM-XMMPIXPASA-N 1 0 412.493 3.817 20 30 HHEDRO COc1sc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Br ZINC000503931036 1005514512 /nfs/dbraw/zinc/51/45/12/1005514512.db2.gz QCGOBPLNAFJIKI-INIZCTEOSA-N 1 0 420.332 3.676 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000531081495 1005984073 /nfs/dbraw/zinc/98/40/73/1005984073.db2.gz BWLNZYBJWDSOMM-SFHVURJKSA-N 1 0 404.514 3.585 20 30 HHEDRO N#Cc1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c(Br)c1 ZINC000534148613 1006127898 /nfs/dbraw/zinc/12/78/98/1006127898.db2.gz ZPLPCXHGRGRHJT-UHFFFAOYSA-N 1 0 400.320 3.890 20 30 HHEDRO N#C[C@@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCc2ccccc2C1 ZINC000514879641 1006180871 /nfs/dbraw/zinc/18/08/71/1006180871.db2.gz AKEVZYBQZWZNCQ-FYYLOGMGSA-N 1 0 409.480 3.711 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443962 1006200033 /nfs/dbraw/zinc/20/00/33/1006200033.db2.gz YPBZQDAYYBENDF-DLBZAZTESA-N 1 0 410.474 3.898 20 30 HHEDRO C=C(C)[C@@H](CC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1)OCC ZINC000534388232 1006361539 /nfs/dbraw/zinc/36/15/39/1006361539.db2.gz GHIYIQUETJVYRX-XMMPIXPASA-N 1 0 422.573 3.756 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H](C)O1 ZINC000515444274 1006466495 /nfs/dbraw/zinc/46/64/95/1006466495.db2.gz VKXLMJANFBYQSX-HZPDHXFCSA-N 1 0 412.921 3.871 20 30 HHEDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538375677 1006646340 /nfs/dbraw/zinc/64/63/40/1006646340.db2.gz MWPBPNGFWGJBAO-IIBYNOLFSA-N 1 0 403.548 3.539 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538375678 1006646582 /nfs/dbraw/zinc/64/65/82/1006646582.db2.gz MWPBPNGFWGJBAO-KKSFZXQISA-N 1 0 403.548 3.539 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000515757412 1006646764 /nfs/dbraw/zinc/64/67/64/1006646764.db2.gz FTJXDLJHFHOFQO-RTBURBONSA-N 1 0 411.571 3.656 20 30 HHEDRO C[C@@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000538408656 1006676764 /nfs/dbraw/zinc/67/67/64/1006676764.db2.gz KOIRNVHDGADSFE-MRXNPFEDSA-N 1 0 401.507 3.591 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(F)cc1 ZINC000515928199 1006769951 /nfs/dbraw/zinc/76/99/51/1006769951.db2.gz BHYJGIXTTFPMMS-HXUWFJFHSA-N 1 0 407.445 3.902 20 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C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516277065 1006991190 /nfs/dbraw/zinc/99/11/90/1006991190.db2.gz BZQKKKYWOLLDPX-ROUUACIJSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534958784 1007004090 /nfs/dbraw/zinc/00/40/90/1007004090.db2.gz GXJODAFFVPVZDX-LFRPXUGBSA-N 1 0 415.896 3.927 20 30 HHEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000532683382 1007096259 /nfs/dbraw/zinc/09/62/59/1007096259.db2.gz WCCYIJBWVORSLY-KRWDZBQOSA-N 1 0 402.926 3.994 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](C4CCOCC4)C3)sc2C1 ZINC000535117149 1007147045 /nfs/dbraw/zinc/14/70/45/1007147045.db2.gz QVOOOLJXDNTLIW-NVXWUHKLSA-N 1 0 401.576 3.822 20 30 HHEDRO CC[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000516552349 1007151089 /nfs/dbraw/zinc/15/10/89/1007151089.db2.gz FEFWRPTXLSPYTQ-XMMPIXPASA-N 1 0 404.558 3.503 20 30 HHEDRO 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XLQSRENABPBUSA-UHFFFAOYSA-N 1 0 410.493 3.528 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[N@@H+](C3CCCC3)CC2)c1C#N ZINC000533288329 1007600087 /nfs/dbraw/zinc/60/00/87/1007600087.db2.gz BMQNHFIVSREPNI-UHFFFAOYSA-N 1 0 419.573 3.855 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000533295632 1007611578 /nfs/dbraw/zinc/61/15/78/1007611578.db2.gz GLVKMVQQGDLLRQ-VXKWHMMOSA-N 1 0 419.573 3.712 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+](CC2CC2)C2CCCCC2)CC1 ZINC000539362145 1007664254 /nfs/dbraw/zinc/66/42/54/1007664254.db2.gz MSZUDKZYABJYMJ-HXUWFJFHSA-N 1 0 400.592 3.502 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000533380894 1007692895 /nfs/dbraw/zinc/69/28/95/1007692895.db2.gz JIPKUHVRUZAIQE-OAQYLSRUSA-N 1 0 411.550 3.642 20 30 HHEDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000533397503 1007709757 /nfs/dbraw/zinc/70/97/57/1007709757.db2.gz WGMHJFKVIAOCKM-QFIPXVFZSA-N 1 0 421.541 3.884 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1C#N ZINC000533414305 1007720861 /nfs/dbraw/zinc/72/08/61/1007720861.db2.gz LYOPTXTXBSVUTF-FQEVSTJZSA-N 1 0 423.561 3.507 20 30 HHEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000533438531 1007754050 /nfs/dbraw/zinc/75/40/50/1007754050.db2.gz ICXOSSZKACWKOL-OAHLLOKOSA-N 1 0 415.987 3.596 20 30 HHEDRO COc1ccnc2c(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cccc12 ZINC000535769932 1007782080 /nfs/dbraw/zinc/78/20/80/1007782080.db2.gz VDUWKJPEPQEZOA-UHFFFAOYSA-N 1 0 403.486 3.711 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[NH+](C)C)cc1 ZINC000517599578 1007801356 /nfs/dbraw/zinc/80/13/56/1007801356.db2.gz IANOHRVWLSCVBU-OFNKIYASSA-N 1 0 423.536 3.577 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000539499315 1007809849 /nfs/dbraw/zinc/80/98/49/1007809849.db2.gz LUELECSVMAVJLH-UHFFFAOYSA-N 1 0 406.549 3.916 20 30 HHEDRO CC(C)C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)Nc1nccs1 ZINC000539507145 1007816685 /nfs/dbraw/zinc/81/66/85/1007816685.db2.gz RXEHFMKFRYGTGG-HXUWFJFHSA-N 1 0 411.575 3.622 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000533511463 1007830327 /nfs/dbraw/zinc/83/03/27/1007830327.db2.gz LQVYZVLXMDDIMQ-YXTQBTIXSA-N 1 0 400.542 3.798 20 30 HHEDRO COC(=O)CC1([NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCCCC1 ZINC000533527033 1007846616 /nfs/dbraw/zinc/84/66/16/1007846616.db2.gz LMZWJYKDBGLZAX-UHFFFAOYSA-N 1 0 405.926 3.751 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000533608206 1007907728 /nfs/dbraw/zinc/90/77/28/1007907728.db2.gz YDHLQSTUNSQKAM-HNNXBMFYSA-N 1 0 407.942 3.509 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)NCCCCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000517703590 1007918225 /nfs/dbraw/zinc/91/82/25/1007918225.db2.gz UGAUHJHIXWPCOF-FQEVSTJZSA-N 1 0 415.557 3.622 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000517853110 1008014479 /nfs/dbraw/zinc/01/44/79/1008014479.db2.gz LUKBZKNRLSVHFP-ROUUACIJSA-N 1 0 420.513 3.668 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000517853662 1008014659 /nfs/dbraw/zinc/01/46/59/1008014659.db2.gz QIBWECFDICRJAP-LJQANCHMSA-N 1 0 421.541 3.881 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000539766629 1008082808 /nfs/dbraw/zinc/08/28/08/1008082808.db2.gz XMKRKNTWMGFZFB-LJQANCHMSA-N 1 0 406.534 3.932 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000533809628 1008127789 /nfs/dbraw/zinc/12/77/89/1008127789.db2.gz ZJPSJKAITVZVSA-HXUWFJFHSA-N 1 0 419.554 3.900 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](CCO)C2CCCCC2)c1C#N ZINC000533839248 1008147661 /nfs/dbraw/zinc/14/76/61/1008147661.db2.gz NPKCDPKXXMMZSH-UHFFFAOYSA-N 1 0 412.534 3.574 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC 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/nfs/dbraw/zinc/31/97/07/1008319707.db2.gz JLVQBVOSXRGPKS-HSZRJFAPSA-N 1 0 411.594 3.681 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000518593675 1008359137 /nfs/dbraw/zinc/35/91/37/1008359137.db2.gz ZQOGWTDMEQWYLE-GOSISDBHSA-N 1 0 420.513 3.588 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000540270502 1008362463 /nfs/dbraw/zinc/36/24/63/1008362463.db2.gz BGQMTDLMTGWMEC-KDURUIRLSA-N 1 0 406.530 3.524 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000540350557 1008393231 /nfs/dbraw/zinc/39/32/31/1008393231.db2.gz AFBGDOWHHNNURY-GOSISDBHSA-N 1 0 421.522 3.657 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000540359575 1008398779 /nfs/dbraw/zinc/39/87/79/1008398779.db2.gz CULWIMAICUZLRT-MSOLQXFVSA-N 1 0 405.477 3.997 20 30 HHEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc2c(cc1Br)OCCO2 ZINC000540381193 1008408526 /nfs/dbraw/zinc/40/85/26/1008408526.db2.gz VAJBHAPPWIOTKM-ZDUSSCGKSA-N 1 0 403.276 3.822 20 30 HHEDRO N#CCCCCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000518816817 1008430655 /nfs/dbraw/zinc/43/06/55/1008430655.db2.gz SBVRJIYJDLAXRF-UHFFFAOYSA-N 1 0 418.390 3.915 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000540431768 1008431014 /nfs/dbraw/zinc/43/10/14/1008431014.db2.gz NTAVWMYPXSRQJB-HNNXBMFYSA-N 1 0 409.511 3.884 20 30 HHEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000540458311 1008440054 /nfs/dbraw/zinc/44/00/54/1008440054.db2.gz NVKXGPDCFVNNTJ-ILBGXUMGSA-N 1 0 405.542 3.994 20 30 HHEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000540458313 1008440138 /nfs/dbraw/zinc/44/01/38/1008440138.db2.gz NVKXGPDCFVNNTJ-UKILVPOCSA-N 1 0 405.542 3.994 20 30 HHEDRO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000540511957 1008462317 /nfs/dbraw/zinc/46/23/17/1008462317.db2.gz FQQAWEIDDFWNRG-FXAWDEMLSA-N 1 0 414.550 3.679 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000519020731 1008503075 /nfs/dbraw/zinc/50/30/75/1008503075.db2.gz RHOYHZWTHHTKEN-OIBXWCBGSA-N 1 0 405.542 3.589 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000519025880 1008504898 /nfs/dbraw/zinc/50/48/98/1008504898.db2.gz OIVDCGNUFAHACC-DEOSSOPVSA-N 1 0 419.573 3.863 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000519052237 1008512089 /nfs/dbraw/zinc/51/20/89/1008512089.db2.gz NQLWJJBQKKTAQS-UHFFFAOYSA-N 1 0 421.545 3.890 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000519051998 1008512133 /nfs/dbraw/zinc/51/21/33/1008512133.db2.gz DCDLOBKCXXHLCF-QFIPXVFZSA-N 1 0 408.502 3.829 20 30 HHEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000519084736 1008524900 /nfs/dbraw/zinc/52/49/00/1008524900.db2.gz VUBBHQWGNIGERP-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO COC(=O)[C@@H](C)Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000545432006 1008543652 /nfs/dbraw/zinc/54/36/52/1008543652.db2.gz SDVQWZRJSNHQNO-SFHVURJKSA-N 1 0 422.529 3.506 20 30 HHEDRO Cc1nc(-c2ccc(CC[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)s2)cs1 ZINC000549111095 1008675379 /nfs/dbraw/zinc/67/53/79/1008675379.db2.gz NBBNVLFBFSJXOT-UHFFFAOYSA-N 1 0 417.581 3.658 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000519282867 1008694571 /nfs/dbraw/zinc/69/45/71/1008694571.db2.gz WMDFOFXRVMUWFK-IBGZPJMESA-N 1 0 422.367 3.573 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)CC1 ZINC000519287445 1008699049 /nfs/dbraw/zinc/69/90/49/1008699049.db2.gz FBYSMZQGLWPCKA-UHFFFAOYSA-N 1 0 406.958 3.982 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000519289038 1008700175 /nfs/dbraw/zinc/70/01/75/1008700175.db2.gz PFNVSRBYJZEPEY-UHFFFAOYSA-N 1 0 409.412 3.917 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000549162724 1008733174 /nfs/dbraw/zinc/73/31/74/1008733174.db2.gz RTDQVTMHPGPDJV-SCLBCKFNSA-N 1 0 416.403 3.515 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(CC#N)c1 ZINC000519418668 1008799249 /nfs/dbraw/zinc/79/92/49/1008799249.db2.gz GTLRKDPOKIIIQV-UHFFFAOYSA-N 1 0 400.320 3.719 20 30 HHEDRO COc1cc2c(cc1F)CC[C@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000549239967 1008811124 /nfs/dbraw/zinc/81/11/24/1008811124.db2.gz MDXNVSZSEHODRY-JOCHJYFZSA-N 1 0 422.504 3.611 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000519440349 1008817164 /nfs/dbraw/zinc/81/71/64/1008817164.db2.gz CCKNSAIXVUMJTG-SFHVURJKSA-N 1 0 416.591 3.505 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549279500 1008849148 /nfs/dbraw/zinc/84/91/48/1008849148.db2.gz KIVJLOQWKYWEEW-ZRBLBEILSA-N 1 0 421.589 3.849 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000549292437 1008864952 /nfs/dbraw/zinc/86/49/52/1008864952.db2.gz RPMBOIZXYXSTFS-FCHUYYIVSA-N 1 0 409.578 3.849 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549292519 1008865636 /nfs/dbraw/zinc/86/56/36/1008865636.db2.gz SKQAUECUVVXCSE-IBGZPJMESA-N 1 0 411.550 3.603 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000543349054 1008935411 /nfs/dbraw/zinc/93/54/11/1008935411.db2.gz IJKLASCIULKUSA-LJQANCHMSA-N 1 0 422.529 3.712 20 30 HHEDRO CC1CCN([C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c2ccccc2)CC1 ZINC000519656181 1008942561 /nfs/dbraw/zinc/94/25/61/1008942561.db2.gz LBRPPFWTQHFING-UKILVPOCSA-N 1 0 407.558 3.555 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC[C@@H](C)[NH+]2CCCCC2)nnc1-c1ccco1 ZINC000543383174 1008971936 /nfs/dbraw/zinc/97/19/36/1008971936.db2.gz HWZHTQPVUIBTFJ-QGZVFWFLSA-N 1 0 417.579 3.587 20 30 HHEDRO CCOc1cccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000519870482 1009041669 /nfs/dbraw/zinc/04/16/69/1009041669.db2.gz MSEQANJHMZQYOS-IBGZPJMESA-N 1 0 406.530 3.935 20 30 HHEDRO Cc1cc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(C)s1 ZINC000543460065 1009044575 /nfs/dbraw/zinc/04/45/75/1009044575.db2.gz HGOKVCIQUJPPER-HRAATJIYSA-N 1 0 414.550 3.564 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549655582 1009283640 /nfs/dbraw/zinc/28/36/40/1009283640.db2.gz XRERWBOLSVZFIO-QFIPXVFZSA-N 1 0 420.605 3.872 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549688982 1009319395 /nfs/dbraw/zinc/31/93/95/1009319395.db2.gz TZMMDDYIOBBFOM-UGKGYDQZSA-N 1 0 423.561 3.679 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000520288079 1009410329 /nfs/dbraw/zinc/41/03/29/1009410329.db2.gz XSZFEUHUVATNQR-MRXNPFEDSA-N 1 0 405.477 3.979 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000520323779 1009454058 /nfs/dbraw/zinc/45/40/58/1009454058.db2.gz XQZDDGYUFXPINF-JOCHJYFZSA-N 1 0 421.545 3.516 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000543903403 1009487661 /nfs/dbraw/zinc/48/76/61/1009487661.db2.gz VXJYSGWSAHGEMG-GOSISDBHSA-N 1 0 406.530 3.696 20 30 HHEDRO CC(C)OCc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000520533658 1009621832 /nfs/dbraw/zinc/62/18/32/1009621832.db2.gz BXXGVABAYYFTRN-UHFFFAOYSA-N 1 0 420.557 3.901 20 30 HHEDRO COc1cc(C#N)ccc1NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000546707107 1009691931 /nfs/dbraw/zinc/69/19/31/1009691931.db2.gz AJXZBOJTQYUEDD-QGZVFWFLSA-N 1 0 408.502 3.588 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000520682706 1009753176 /nfs/dbraw/zinc/75/31/76/1009753176.db2.gz KAWKIPPICFZESR-IBGZPJMESA-N 1 0 424.372 3.755 20 30 HHEDRO COc1cc(C[NH2+]CCCC#N)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000544180828 1009784841 /nfs/dbraw/zinc/78/48/41/1009784841.db2.gz CNWAQKFZJRTNFR-UHFFFAOYSA-N 1 0 405.857 3.899 20 30 HHEDRO CS[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@@H]1[NH+](C)C ZINC000546851802 1009812793 /nfs/dbraw/zinc/81/27/93/1009812793.db2.gz RSWMXLJUOTYVNU-FXAWDEMLSA-N 1 0 414.506 3.999 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000544309998 1009933168 /nfs/dbraw/zinc/93/31/68/1009933168.db2.gz RNAFRJWPLAWRDK-WIYYLYMNSA-N 1 0 422.529 3.616 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000520978120 1010019443 /nfs/dbraw/zinc/01/94/43/1010019443.db2.gz LEYHXEROKTZAHO-UHFFFAOYSA-N 1 0 422.529 3.949 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@@H]1CCCO1 ZINC000544460544 1010083857 /nfs/dbraw/zinc/08/38/57/1010083857.db2.gz OMSWBZNHQKVLAC-UNMCSNQZSA-N 1 0 406.530 3.713 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000550695075 1010106426 /nfs/dbraw/zinc/10/64/26/1010106426.db2.gz JWVOQRLKZCPIQO-GASCZTMLSA-N 1 0 418.607 3.728 20 30 HHEDRO COc1cccc([C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[NH+](C)C)c1 ZINC000521106832 1010127062 /nfs/dbraw/zinc/12/70/62/1010127062.db2.gz UBQDFYXJRFOCKF-QFIPXVFZSA-N 1 0 416.481 3.787 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)cc1 ZINC000544514250 1010138989 /nfs/dbraw/zinc/13/89/89/1010138989.db2.gz ITLVBNGJYKXOJP-QZTZHPFYSA-N 1 0 407.514 3.875 20 30 HHEDRO CCOc1ccc(CCC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 ZINC000521195062 1010222647 /nfs/dbraw/zinc/22/26/47/1010222647.db2.gz UOKNTQNWFADNPZ-UHFFFAOYSA-N 1 0 405.542 3.918 20 30 HHEDRO C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000521206501 1010228999 /nfs/dbraw/zinc/22/89/99/1010228999.db2.gz QFOOYNHQFDLNKM-AWEZNQCLSA-N 1 0 415.900 3.985 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)c2)c1 ZINC000521210824 1010231363 /nfs/dbraw/zinc/23/13/63/1010231363.db2.gz HSUXSZWFGHVLQY-OAQYLSRUSA-N 1 0 419.525 3.725 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)CC1 ZINC000521240491 1010246562 /nfs/dbraw/zinc/24/65/62/1010246562.db2.gz VQCUAVDRABEMTR-GOSISDBHSA-N 1 0 422.367 3.955 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cc1OC)[NH2+][C@H](C)c1ccccc1 ZINC000547416442 1010295281 /nfs/dbraw/zinc/29/52/81/1010295281.db2.gz RDDFNRMMYYFURD-QGZVFWFLSA-N 1 0 422.529 3.531 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000521332027 1010311192 /nfs/dbraw/zinc/31/11/92/1010311192.db2.gz WUVRJTPTYGNWGA-ROUUACIJSA-N 1 0 420.513 3.668 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000551096644 1010362711 /nfs/dbraw/zinc/36/27/11/1010362711.db2.gz WZKNMNAGCJHEMB-SFHVURJKSA-N 1 0 424.511 3.803 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2C)CC1 ZINC000521573622 1010473005 /nfs/dbraw/zinc/47/30/05/1010473005.db2.gz KGMNAGVYAFAPRG-UHFFFAOYSA-N 1 0 417.351 3.714 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000521585963 1010483661 /nfs/dbraw/zinc/48/36/61/1010483661.db2.gz IEPIOYIJQCJFOI-UHFFFAOYSA-N 1 0 424.520 3.918 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000548171040 1010551312 /nfs/dbraw/zinc/55/13/12/1010551312.db2.gz LVHHAIKZGQHAPR-IBGZPJMESA-N 1 0 404.436 3.935 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551420130 1010575349 /nfs/dbraw/zinc/57/53/49/1010575349.db2.gz VIYVZEXAJSQHAA-PMACEKPBSA-N 1 0 411.468 3.817 20 30 HHEDRO Cc1n[nH]cc1C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000551424552 1010579230 /nfs/dbraw/zinc/57/92/30/1010579230.db2.gz KGVWUDZEXUOROU-AWEZNQCLSA-N 1 0 411.575 3.984 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCN(c4ccc(F)c(F)c4)CC3)C2=O)cc1 ZINC000551448491 1010591556 /nfs/dbraw/zinc/59/15/56/1010591556.db2.gz UPIMJLLJMQLYCE-QFIPXVFZSA-N 1 0 410.468 3.544 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000551510042 1010629129 /nfs/dbraw/zinc/62/91/29/1010629129.db2.gz OYDSGPLOVDSFGI-JOCHJYFZSA-N 1 0 423.557 3.905 20 30 HHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000521813050 1010636572 /nfs/dbraw/zinc/63/65/72/1010636572.db2.gz SPWPIPHSCJIWLW-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)cc1Cl ZINC000521819506 1010639739 /nfs/dbraw/zinc/63/97/39/1010639739.db2.gz OIVBIZHJBWWCNV-UHFFFAOYSA-N 1 0 405.926 3.639 20 30 HHEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000521821493 1010642055 /nfs/dbraw/zinc/64/20/55/1010642055.db2.gz ZKPHBLFQZLKSEL-UHFFFAOYSA-N 1 0 409.555 3.582 20 30 HHEDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1ccc(C#N)c(F)c1 ZINC000551567125 1010666408 /nfs/dbraw/zinc/66/64/08/1010666408.db2.gz OZROJLKERKYTND-PSLXWICFSA-N 1 0 406.461 3.773 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)c(F)c1 ZINC000521861468 1010669825 /nfs/dbraw/zinc/66/98/25/1010669825.db2.gz RZCDTYXJMKVWIF-GOSISDBHSA-N 1 0 419.460 3.575 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)[NH+](C)C)cc1 ZINC000548822815 1010738240 /nfs/dbraw/zinc/73/82/40/1010738240.db2.gz TVDWDKUUHGSIRD-OAQYLSRUSA-N 1 0 405.546 3.514 20 30 HHEDRO N#CC1(c2ccccn2)CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000548859104 1010746648 /nfs/dbraw/zinc/74/66/48/1010746648.db2.gz CPGQARFNCNWHPY-UHFFFAOYSA-N 1 0 404.495 3.991 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000522031808 1010765692 /nfs/dbraw/zinc/76/56/92/1010765692.db2.gz LXUPRLPEOCRWNA-UVKLAMSESA-N 1 0 418.541 3.672 20 30 HHEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000522212415 1010868333 /nfs/dbraw/zinc/86/83/33/1010868333.db2.gz ZXFFKAIVHSOTHX-UHFFFAOYSA-N 1 0 402.498 3.603 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[NH+]2CCCC2)cc1 ZINC000522470126 1011032223 /nfs/dbraw/zinc/03/22/23/1011032223.db2.gz GDYBLKDPPJDAKH-XMMPIXPASA-N 1 0 417.557 3.535 20 30 HHEDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)(C)C ZINC000522594300 1011098843 /nfs/dbraw/zinc/09/88/43/1011098843.db2.gz KFSVVGSWYFCKEI-OAQYLSRUSA-N 1 0 422.529 3.772 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522758686 1011199275 /nfs/dbraw/zinc/19/92/75/1011199275.db2.gz JGPHLCNCAKDHQB-SJLPKXTDSA-N 1 0 417.497 3.702 20 30 HHEDRO C[C@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000540593239 1011250711 /nfs/dbraw/zinc/25/07/11/1011250711.db2.gz AXVQZZXUFHVMLP-INIZCTEOSA-N 1 0 407.495 4.000 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)cc1 ZINC000540606873 1011260380 /nfs/dbraw/zinc/26/03/80/1011260380.db2.gz HIWRCIOXPJPVKH-FQEVSTJZSA-N 1 0 408.933 3.571 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(Cc4ccc(Br)cc4)CC3)n2c1 ZINC000540624451 1011275422 /nfs/dbraw/zinc/27/54/22/1011275422.db2.gz FISJRYIFRLTMJC-UHFFFAOYSA-N 1 0 424.346 3.723 20 30 HHEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000522846212 1011286255 /nfs/dbraw/zinc/28/62/55/1011286255.db2.gz QYAGQTNATRWBMJ-IBGZPJMESA-N 1 0 421.545 3.746 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(-c2ccccc2)n1 ZINC000540697932 1011350662 /nfs/dbraw/zinc/35/06/62/1011350662.db2.gz KMNBILGZAYEYSD-GOSISDBHSA-N 1 0 421.451 3.637 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719233 1011370988 /nfs/dbraw/zinc/37/09/88/1011370988.db2.gz PMUQXDIJCJHLAG-SFTDATJTSA-N 1 0 422.976 3.953 20 30 HHEDRO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000540806168 1011467620 /nfs/dbraw/zinc/46/76/20/1011467620.db2.gz MELPRMCQIRWFLO-PKTZIBPZSA-N 1 0 408.590 3.651 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000541097120 1011743531 /nfs/dbraw/zinc/74/35/31/1011743531.db2.gz IQLVPAIYSBIMCZ-MRXNPFEDSA-N 1 0 400.914 3.593 20 30 HHEDRO N#Cc1ccccc1COc1cccc(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000536673801 1011832749 /nfs/dbraw/zinc/83/27/49/1011832749.db2.gz PWOXHYUTOZBZOS-UHFFFAOYSA-N 1 0 405.542 3.681 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000536769564 1011973427 /nfs/dbraw/zinc/97/34/27/1011973427.db2.gz WVEAHAKAHNMTBP-UHFFFAOYSA-N 1 0 412.444 3.968 20 30 HHEDRO CN1CCO[C@@H]([C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)C1 ZINC000552062333 1012081021 /nfs/dbraw/zinc/08/10/21/1012081021.db2.gz URKJVTOIRRXZQF-RPWUZVMVSA-N 1 0 424.976 3.842 20 30 HHEDRO C=CC[C@@H]1N(C(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1(C)C ZINC000552196497 1012207540 /nfs/dbraw/zinc/20/75/40/1012207540.db2.gz HYGJQNFVWPPUEF-QUCCMNQESA-N 1 0 417.619 3.670 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc(OC)c1OC ZINC000537022949 1012328950 /nfs/dbraw/zinc/32/89/50/1012328950.db2.gz FBTKKAVUEANXRI-IRXDYDNUSA-N 1 0 411.502 3.698 20 30 HHEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000523748122 1012370969 /nfs/dbraw/zinc/37/09/69/1012370969.db2.gz ZDWVKPJFFUXVHE-UHFFFAOYSA-N 1 0 421.541 3.756 20 30 HHEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1OCC(=O)N(C)C ZINC000537052071 1012378956 /nfs/dbraw/zinc/37/89/56/1012378956.db2.gz QYIFAQXSTWQMFH-SFHVURJKSA-N 1 0 417.456 3.868 20 30 HHEDRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000541599716 1012393618 /nfs/dbraw/zinc/39/36/18/1012393618.db2.gz KMOWWZFJTQRJTM-JYJNAYRXSA-N 1 0 400.592 3.678 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000552423261 1012441086 /nfs/dbraw/zinc/44/10/86/1012441086.db2.gz AFLCTLDNNDVEQX-UHFFFAOYSA-N 1 0 419.569 3.894 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)CC1 ZINC000537162135 1012562569 /nfs/dbraw/zinc/56/25/69/1012562569.db2.gz MNEMBHALOJZJMS-RTBURBONSA-N 1 0 412.559 3.667 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000541717666 1012568451 /nfs/dbraw/zinc/56/84/51/1012568451.db2.gz CIGZLKBANSCOQD-SFHVURJKSA-N 1 0 424.520 3.934 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000541924564 1012784900 /nfs/dbraw/zinc/78/49/00/1012784900.db2.gz BKJJKSIWQHDBEF-UHFFFAOYSA-N 1 0 424.455 3.618 20 30 HHEDRO N#CC1(NC(=O)c2ccc(OC3CCCC3)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000541939954 1012801747 /nfs/dbraw/zinc/80/17/47/1012801747.db2.gz WNOCUYFIWAHTHV-UHFFFAOYSA-N 1 0 404.514 3.691 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000524073444 1012837154 /nfs/dbraw/zinc/83/71/54/1012837154.db2.gz LNKGNWXHXZRMMN-HSZRJFAPSA-N 1 0 421.541 3.842 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c1C#N ZINC000541981509 1012853273 /nfs/dbraw/zinc/85/32/73/1012853273.db2.gz QXJSGTPSQAEFMN-QFIPXVFZSA-N 1 0 420.488 3.675 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)C2)c(F)c1 ZINC000552873476 1012880593 /nfs/dbraw/zinc/88/05/93/1012880593.db2.gz XEKGIZRCGBQLAF-OAQYLSRUSA-N 1 0 412.553 3.638 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)n2)c(Cl)c1 ZINC000542028357 1012924216 /nfs/dbraw/zinc/92/42/16/1012924216.db2.gz PKDZRPSTUAZAAQ-UHFFFAOYSA-N 1 0 412.925 3.880 20 30 HHEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542033096 1012930459 /nfs/dbraw/zinc/93/04/59/1012930459.db2.gz LWYXNBFKOPDQEY-GASCZTMLSA-N 1 0 400.914 3.782 20 30 HHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)C2)CC1 ZINC000542032696 1012930742 /nfs/dbraw/zinc/93/07/42/1012930742.db2.gz QCCFXWVRFRTYQQ-QGZVFWFLSA-N 1 0 412.925 3.593 20 30 HHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000552998199 1012973393 /nfs/dbraw/zinc/97/33/93/1012973393.db2.gz WWWBOOWMSKPXJN-GJZGRUSLSA-N 1 0 417.479 3.519 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032852 1013009978 /nfs/dbraw/zinc/00/99/78/1013009978.db2.gz BGXKIEFQMQXNMC-DENIHFKCSA-N 1 0 420.532 3.647 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@H](C)c2cccs2)[n+]2ccccc2)c1 ZINC000729670347 1071785021 /nfs/dbraw/zinc/78/50/21/1071785021.db2.gz PGYHRJVINBIHER-CYBMUJFWSA-O 1 0 415.516 3.705 20 30 HHEDRO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1ccc(OCC#N)cc1 ZINC000729686086 1071823154 /nfs/dbraw/zinc/82/31/54/1071823154.db2.gz XIPLZYOWVDNQAK-ZDUSSCGKSA-N 1 0 403.276 3.973 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001211975955 1071829971 /nfs/dbraw/zinc/82/99/71/1071829971.db2.gz VLOGDGSHLQMTMY-SFTDATJTSA-N 1 0 414.550 3.651 20 30 HHEDRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212058517 1071940048 /nfs/dbraw/zinc/94/00/48/1071940048.db2.gz JXUOAASNVDOAJU-PMACEKPBSA-N 1 0 403.486 3.717 20 30 HHEDRO C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001212065125 1071943430 /nfs/dbraw/zinc/94/34/30/1071943430.db2.gz YGADMHSWGSBVLN-KDOFPFPSSA-N 1 0 423.460 3.518 20 30 HHEDRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000611855927 1072156650 /nfs/dbraw/zinc/15/66/50/1072156650.db2.gz GVMJTHVPERVPAA-GOSISDBHSA-N 1 0 406.530 3.696 20 30 HHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000536741249 1072192089 /nfs/dbraw/zinc/19/20/89/1072192089.db2.gz SLYBFEWYRFPEMN-UHFFFAOYSA-N 1 0 423.492 3.590 20 30 HHEDRO CC(C)(C#N)c1ccc(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000586779696 1072436479 /nfs/dbraw/zinc/43/64/79/1072436479.db2.gz LHYNEOLAODSYJQ-VWLOTQADSA-N 1 0 402.586 3.880 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)CC2)cc1 ZINC000586791928 1072443235 /nfs/dbraw/zinc/44/32/35/1072443235.db2.gz RBZKUFIUEMUCBZ-RTWAWAEBSA-N 1 0 403.448 3.651 20 30 HHEDRO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001691605294 1072519703 /nfs/dbraw/zinc/51/97/03/1072519703.db2.gz RAJVYFVACJINEH-FCHUYYIVSA-N 1 0 422.577 3.758 20 30 HHEDRO N#Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000571489764 1072637894 /nfs/dbraw/zinc/63/78/94/1072637894.db2.gz HKDFNJKAUJHPDW-QUCCMNQESA-N 1 0 413.481 3.973 20 30 HHEDRO N#Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000571489758 1072637929 /nfs/dbraw/zinc/63/79/29/1072637929.db2.gz HKDFNJKAUJHPDW-AZUAARDMSA-N 1 0 413.481 3.973 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000571541351 1072665626 /nfs/dbraw/zinc/66/56/26/1072665626.db2.gz JBUDAKLWMPGNHA-UHFFFAOYSA-N 1 0 413.541 3.885 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000587992453 1072734403 /nfs/dbraw/zinc/73/44/03/1072734403.db2.gz LSZRBEDENBUUBU-AHWVRZQESA-N 1 0 414.553 3.652 20 30 HHEDRO CC(C)(C)c1ccc(C#N)c(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000588070505 1072776907 /nfs/dbraw/zinc/77/69/07/1072776907.db2.gz HHOJMXMGGCORGS-QFIPXVFZSA-N 1 0 403.574 3.647 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571803704 1072858316 /nfs/dbraw/zinc/85/83/16/1072858316.db2.gz NEJUPIRNHSASBD-REWPJTCUSA-N 1 0 411.590 3.608 20 30 HHEDRO C[C@@H]1C[NH+](CC2CCN(Cc3ccc(Br)cc3C#N)CC2)C[C@@H](C)O1 ZINC000588200405 1072904844 /nfs/dbraw/zinc/90/48/44/1072904844.db2.gz OVEAPKGHWKYBRB-HZPDHXFCSA-N 1 0 406.368 3.642 20 30 HHEDRO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000588666761 1073083650 /nfs/dbraw/zinc/08/36/50/1073083650.db2.gz WVEGAVJSIGFICU-ILBGXUMGSA-N 1 0 400.526 3.853 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000555242771 1073285590 /nfs/dbraw/zinc/28/55/90/1073285590.db2.gz YHJQUBJBXOWQIU-GMAHTHKFSA-N 1 0 423.605 3.945 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555268105 1073299896 /nfs/dbraw/zinc/29/98/96/1073299896.db2.gz GOIWXDOIUQENFI-GOSISDBHSA-N 1 0 411.550 3.603 20 30 HHEDRO Cc1cc(NCc2ccncc2OCC[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC000588855522 1073308709 /nfs/dbraw/zinc/30/87/09/1073308709.db2.gz RKTCEZFKJXNAFR-UHFFFAOYSA-N 1 0 400.486 3.615 20 30 HHEDRO COc1cc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)ccc1OCC[NH+](C)C ZINC000589093743 1073396386 /nfs/dbraw/zinc/39/63/86/1073396386.db2.gz CBKDGDNJYILNKX-SFHVURJKSA-N 1 0 406.486 3.926 20 30 HHEDRO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cnc1C(F)(F)F ZINC000555395005 1073407751 /nfs/dbraw/zinc/40/77/51/1073407751.db2.gz CYPUMXBCQCPIDI-UHFFFAOYSA-N 1 0 406.383 3.506 20 30 HHEDRO N#Cc1csc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)n1 ZINC000555595938 1073661043 /nfs/dbraw/zinc/66/10/43/1073661043.db2.gz FEFMQJQEJCMGMF-UHFFFAOYSA-N 1 0 410.312 3.798 20 30 HHEDRO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000590532192 1073909580 /nfs/dbraw/zinc/90/95/80/1073909580.db2.gz PVCAYBPPDCHHQJ-VXKWHMMOSA-N 1 0 408.571 3.668 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c1 ZINC000555953063 1074000547 /nfs/dbraw/zinc/00/05/47/1074000547.db2.gz WEHXKHWDLZJIDY-UHFFFAOYSA-N 1 0 412.559 3.624 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000555992800 1074022897 /nfs/dbraw/zinc/02/28/97/1074022897.db2.gz KVLIMBRIOCTNCG-UHFFFAOYSA-N 1 0 419.569 3.681 20 30 HHEDRO C=CCn1cc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)[NH+](C)C)nn1 ZINC001126925598 1074082846 /nfs/dbraw/zinc/08/28/46/1074082846.db2.gz RGBQQBWONZJVKX-LJQANCHMSA-N 1 0 424.376 4.000 20 30 HHEDRO C#CCC[NH+]1CCC(NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)CC1 ZINC000760839124 1074370877 /nfs/dbraw/zinc/37/08/77/1074370877.db2.gz SBULORNHPVIXDY-UHFFFAOYSA-N 1 0 415.493 3.538 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000573393356 1074396818 /nfs/dbraw/zinc/39/68/18/1074396818.db2.gz VVSLZQIIGCZOCX-UHFFFAOYSA-N 1 0 411.598 3.593 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000573626730 1074594320 /nfs/dbraw/zinc/59/43/20/1074594320.db2.gz NNPJQFNBOUKWLP-IRLDBZIGSA-N 1 0 417.557 3.701 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000592071204 1074687230 /nfs/dbraw/zinc/68/72/30/1074687230.db2.gz LJAQQNCOKQGNOG-AWEZNQCLSA-N 1 0 410.345 3.503 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000592303763 1074720215 /nfs/dbraw/zinc/72/02/15/1074720215.db2.gz OFMMJIQDZHOTQI-UHFFFAOYSA-N 1 0 404.986 3.598 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 ZINC000592358853 1074735883 /nfs/dbraw/zinc/73/58/83/1074735883.db2.gz NDUFIKAURRGXQD-UHFFFAOYSA-N 1 0 411.477 3.713 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000592495427 1074771657 /nfs/dbraw/zinc/77/16/57/1074771657.db2.gz VEROUSMANZNRSN-VXGBXAGGSA-N 1 0 401.395 3.846 20 30 HHEDRO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000574089531 1075162384 /nfs/dbraw/zinc/16/23/84/1075162384.db2.gz NCMLCTVYJWMMHX-SFHVURJKSA-N 1 0 424.932 3.569 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)NCc1ccc(C#N)c(OC)c1)[NH+]1CCCCC1 ZINC000574804838 1075380712 /nfs/dbraw/zinc/38/07/12/1075380712.db2.gz WFFIYXYKRVCYCJ-OAQYLSRUSA-N 1 0 422.529 3.602 20 30 HHEDRO CC(C)[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000574873865 1075399164 /nfs/dbraw/zinc/39/91/64/1075399164.db2.gz JRBNAKWOYKEPFS-NZQKXSOJSA-N 1 0 405.498 3.812 20 30 HHEDRO C=CC[N@@H+](CCC(=O)NCc1ccccc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596337700 1075554749 /nfs/dbraw/zinc/55/47/49/1075554749.db2.gz LHTGDHOQZGIAOD-QGZVFWFLSA-N 1 0 424.936 3.571 20 30 HHEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N ZINC001545672255 1075695523 /nfs/dbraw/zinc/69/55/23/1075695523.db2.gz GSOXEOYEYINVCX-DLBZAZTESA-N 1 0 402.974 3.848 20 30 HHEDRO CC(C)N(C)Cc1nn(-c2nc3cc(F)ccc3c(Cl)c2C#N)c2c1CC[NH2+]C2 ZINC001164680684 719651442 /nfs/dbraw/zinc/65/14/42/719651442.db2.gz HQNYRRDYUUCBDM-UHFFFAOYSA-N 1 0 412.900 3.571 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164815387 720076499 /nfs/dbraw/zinc/07/64/99/720076499.db2.gz YXGAXZDGZMQWBT-PXDATVDWSA-N 1 0 420.532 3.944 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164815386 720077051 /nfs/dbraw/zinc/07/70/51/720077051.db2.gz YXGAXZDGZMQWBT-OFVILXPXSA-N 1 0 420.532 3.944 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(Cl)c(C)c1C#N)C2 ZINC001164806997 720086801 /nfs/dbraw/zinc/08/68/01/720086801.db2.gz FBNLZMOMNYOZEP-FOIQADDNSA-N 1 0 409.361 3.753 20 30 HHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164709566 720092965 /nfs/dbraw/zinc/09/29/65/720092965.db2.gz ATAVMRVAPGQGGL-IBGZPJMESA-N 1 0 411.937 3.509 20 30 HHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164714153 720111816 /nfs/dbraw/zinc/11/18/16/720111816.db2.gz AGMCNXKQKBFEOD-HXUWFJFHSA-N 1 0 411.937 3.509 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164816032 720159601 /nfs/dbraw/zinc/15/96/01/720159601.db2.gz JWGHTPLAOIMSRF-SBUREZEXSA-N 1 0 410.949 3.945 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164816030 720161247 /nfs/dbraw/zinc/16/12/47/720161247.db2.gz JWGHTPLAOIMSRF-HXOBKFHXSA-N 1 0 410.949 3.945 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C#C[Si](C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842092 720567994 /nfs/dbraw/zinc/56/79/94/720567994.db2.gz WKVGFCUSNNZDQH-XPWALMASSA-N 1 0 421.665 3.885 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)c(C#N)cc1C#N)CC2 ZINC001164844535 720689375 /nfs/dbraw/zinc/68/93/75/720689375.db2.gz SUXKMCSOLDBXQG-HXUWFJFHSA-N 1 0 421.932 3.738 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3[nH]c(C#N)cc3n1)CC2 ZINC001164842382 720709441 /nfs/dbraw/zinc/70/94/41/720709441.db2.gz YYUNUEXFDAWVJH-HXUWFJFHSA-N 1 0 401.514 3.694 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)[C@H]2C ZINC001164863587 720988259 /nfs/dbraw/zinc/98/82/59/720988259.db2.gz WWRDYYBBENXSTR-INIZCTEOSA-N 1 0 423.565 3.556 20 30 HHEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879429 721150197 /nfs/dbraw/zinc/15/01/97/721150197.db2.gz SDQZIVFZKZILOX-UXHICEINSA-N 1 0 417.538 3.556 20 30 HHEDRO N#Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164906556 721562676 /nfs/dbraw/zinc/56/26/76/721562676.db2.gz JYNDKDJHUUSRSG-UKRRQHHQSA-N 1 0 407.276 3.741 20 30 HHEDRO N#Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164904237 721586171 /nfs/dbraw/zinc/58/61/71/721586171.db2.gz DXDKDIYRQYDCJW-LJQANCHMSA-N 1 0 403.864 3.739 20 30 HHEDRO N#Cc1cc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc2[nH]1 ZINC001164906980 721722152 /nfs/dbraw/zinc/72/21/52/721722152.db2.gz PDMKEXOSIQRKJU-OAQYLSRUSA-N 1 0 408.456 3.567 20 30 HHEDRO CC1CCN(C(=O)c2ccc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nc2)CC1 ZINC000301223613 970817584 /nfs/dbraw/zinc/81/75/84/970817584.db2.gz DUUZMDLLFJMEQH-UHFFFAOYSA-N 1 0 417.557 3.538 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(CNc3nc(C(F)(F)F)ccc3C#N)cc2)CC1 ZINC000301255188 970836183 /nfs/dbraw/zinc/83/61/83/970836183.db2.gz DGZAUVQTDNVZPK-UHFFFAOYSA-N 1 0 403.452 3.722 20 30 HHEDRO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ccc(F)cc4C#N)CC3)n2)cc1 ZINC000301978123 971139597 /nfs/dbraw/zinc/13/95/97/971139597.db2.gz GFEVDMQQIGRUCN-UHFFFAOYSA-N 1 0 405.477 3.811 20 30 HHEDRO Cc1ccc([C@@H](C)NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1C ZINC000302971388 971427506 /nfs/dbraw/zinc/42/75/06/971427506.db2.gz ILTRLOWNEHBZGX-HXUWFJFHSA-N 1 0 422.573 3.804 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1C#N ZINC000303025785 971462806 /nfs/dbraw/zinc/46/28/06/971462806.db2.gz MUPDIMPORCLDOZ-HXUWFJFHSA-N 1 0 424.545 3.980 20 30 HHEDRO Cc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n2c3ccccc3nc2c1C#N ZINC000303124003 971514824 /nfs/dbraw/zinc/51/48/24/971514824.db2.gz GLSINQAPHYCDMC-RTBURBONSA-N 1 0 417.557 3.993 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000303324694 971631638 /nfs/dbraw/zinc/63/16/38/971631638.db2.gz VPUHDAIUHJOEOR-UHFFFAOYSA-N 1 0 420.376 3.882 20 30 HHEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2)CC1 ZINC000524296666 1013107375 /nfs/dbraw/zinc/10/73/75/1013107375.db2.gz CGVOXMIDNQPPGO-UHFFFAOYSA-N 1 0 414.513 3.810 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(OC)cc2)CC1 ZINC000303534557 971835459 /nfs/dbraw/zinc/83/54/59/971835459.db2.gz SIIRVZFVZKGKBO-UHFFFAOYSA-N 1 0 405.542 3.640 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303669711 971948545 /nfs/dbraw/zinc/94/85/45/971948545.db2.gz YJTYNCYTWMVHAG-LEWJYISDSA-N 1 0 414.569 3.905 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCCc2ccc(-c3csc(C)n3)cc2)cc1OC ZINC000303768696 972017573 /nfs/dbraw/zinc/01/75/73/972017573.db2.gz ANQCMYSGSILRHM-UHFFFAOYSA-N 1 0 424.570 3.825 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000537627531 1013177357 /nfs/dbraw/zinc/17/73/57/1013177357.db2.gz WVAMWBSPYDPQGH-QFIPXVFZSA-N 1 0 403.526 3.972 20 30 HHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000303863805 972406037 /nfs/dbraw/zinc/40/60/37/972406037.db2.gz ANYGYOYKSDCLBG-KRWDZBQOSA-N 1 0 414.575 3.911 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553219469 1013186069 /nfs/dbraw/zinc/18/60/69/1013186069.db2.gz YZVNPOPLPYAHNY-YLJYHZDGSA-N 1 0 414.912 3.596 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000303865623 972407931 /nfs/dbraw/zinc/40/79/31/972407931.db2.gz BRAKLWDEPMIIMQ-HDICACEKSA-N 1 0 408.546 3.986 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCCC2)cc1OC ZINC000303879014 972420543 /nfs/dbraw/zinc/42/05/43/972420543.db2.gz GJBOXFDLMZNCDH-GOSISDBHSA-N 1 0 402.926 3.921 20 30 HHEDRO [NH2+]=C(NCc1ccc(OCc2ccccn2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303874824 972416119 /nfs/dbraw/zinc/41/61/19/972416119.db2.gz DDECZMILRZNTJQ-UHFFFAOYSA-N 1 0 404.470 3.749 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1OC ZINC000303879016 972420350 /nfs/dbraw/zinc/42/03/50/972420350.db2.gz GJBOXFDLMZNCDH-SFHVURJKSA-N 1 0 402.926 3.921 20 30 HHEDRO [NH2+]=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303882562 972422681 /nfs/dbraw/zinc/42/26/81/972422681.db2.gz IFHNCJRQRIJYLO-UHFFFAOYSA-N 1 0 406.408 3.634 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 ZINC000303885106 972426071 /nfs/dbraw/zinc/42/60/71/972426071.db2.gz MYUPWBRSQBUGNP-UHFFFAOYSA-N 1 0 402.564 3.766 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1ccccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000303886990 972426938 /nfs/dbraw/zinc/42/69/38/972426938.db2.gz KPOULKYPWYQFEV-AWEZNQCLSA-N 1 0 407.345 3.996 20 30 HHEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000303893697 972433646 /nfs/dbraw/zinc/43/36/46/972433646.db2.gz OIWHXTOCYISIDW-MRXNPFEDSA-N 1 0 421.467 3.523 20 30 HHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCc2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000303899846 972437212 /nfs/dbraw/zinc/43/72/12/972437212.db2.gz WICBKPLTOXXZQM-QGZVFWFLSA-N 1 0 408.546 3.827 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2OC)N2CCCCC2)cc1OC ZINC000303907181 972477784 /nfs/dbraw/zinc/47/77/84/972477784.db2.gz WQPVJPYPDHUBAS-IBGZPJMESA-N 1 0 412.534 3.666 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000303907217 972477979 /nfs/dbraw/zinc/47/79/79/972477979.db2.gz WSLXMYPOLSTZIG-HNNXBMFYSA-N 1 0 421.372 3.991 20 30 HHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000553289865 1013246911 /nfs/dbraw/zinc/24/69/11/1013246911.db2.gz QDHFBLDESXOJDQ-OAQYLSRUSA-N 1 0 408.521 3.680 20 30 HHEDRO Cc1cc(Cl)c2ncc(C#N)c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)c2c1 ZINC000553309391 1013263935 /nfs/dbraw/zinc/26/39/35/1013263935.db2.gz HNQWQRBQKJCFRK-ALOPSCKCSA-N 1 0 411.937 3.564 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc2c(c1)OCCO2 ZINC000011231913 962038187 /nfs/dbraw/zinc/03/81/87/962038187.db2.gz TVACCRQAAJNOHJ-UHFFFAOYSA-N 1 0 411.527 3.730 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1)CC1CC1 ZINC000537746391 1013309439 /nfs/dbraw/zinc/30/94/39/1013309439.db2.gz BFQDJJWMKAHYJA-UHFFFAOYSA-N 1 0 409.983 3.734 20 30 HHEDRO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000553425260 1013344146 /nfs/dbraw/zinc/34/41/46/1013344146.db2.gz KNDINAHWVCJLSC-BWACUDIHSA-N 1 0 418.364 3.632 20 30 HHEDRO N#Cc1ccc(CN2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000017843745 963234412 /nfs/dbraw/zinc/23/44/12/963234412.db2.gz RYSLDAHJVLNVEI-UHFFFAOYSA-N 1 0 402.542 3.502 20 30 HHEDRO CC1(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000542485120 1013433089 /nfs/dbraw/zinc/43/30/89/1013433089.db2.gz ADIJYJVITBVRDP-UHFFFAOYSA-N 1 0 420.532 3.648 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc(CC)cc2)cc1 ZINC000022691789 963698730 /nfs/dbraw/zinc/69/87/30/963698730.db2.gz NQHIJKIIELNUNT-HXUWFJFHSA-O 1 0 413.563 3.643 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691969 963698895 /nfs/dbraw/zinc/69/88/95/963698895.db2.gz MGHXNLBMDCSBFT-NRFANRHFSA-O 1 0 409.575 3.733 20 30 HHEDRO CNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc2c(c1)CCCC2 ZINC000022734072 963705756 /nfs/dbraw/zinc/70/57/56/963705756.db2.gz NCEUOBUVBSSBCA-UHFFFAOYSA-O 1 0 404.353 3.774 20 30 HHEDRO CCOC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC)[n+]2ccc(C(C)(C)C)cc2)c1C ZINC000022734634 963705930 /nfs/dbraw/zinc/70/59/30/963705930.db2.gz SNQWDVKRLKNHDR-UHFFFAOYSA-O 1 0 416.567 3.551 20 30 HHEDRO CNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022733662 963706046 /nfs/dbraw/zinc/70/60/46/963706046.db2.gz IUMYMPTVZKXNDI-UHFFFAOYSA-O 1 0 404.353 3.774 20 30 HHEDRO COCCNC(=S)C(C(=O)c1ccccc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022792360 963717926 /nfs/dbraw/zinc/71/79/26/963717926.db2.gz QCQQQHLUZHZLQS-UHFFFAOYSA-O 1 0 405.543 3.740 20 30 HHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cccc21 ZINC000553546411 1013441672 /nfs/dbraw/zinc/44/16/72/1013441672.db2.gz RHGXMUFGKBVDBZ-JXFKEZNVSA-N 1 0 408.477 3.548 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 ZINC000023602938 963858735 /nfs/dbraw/zinc/85/87/35/963858735.db2.gz FFBPKELVKRNSRB-SFHVURJKSA-O 1 0 414.595 3.924 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)c(F)c2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023604513 963858804 /nfs/dbraw/zinc/85/88/04/963858804.db2.gz JPLXQAGRXVNOGO-UHFFFAOYSA-O 1 0 412.510 3.910 20 30 HHEDRO Cc1nc(SCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000024992946 964132414 /nfs/dbraw/zinc/13/24/14/964132414.db2.gz LEQNNABNXMPIIU-UHFFFAOYSA-N 1 0 408.571 3.705 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000542532002 1013475328 /nfs/dbraw/zinc/47/53/28/1013475328.db2.gz FNFOBUHHPLTYQD-SNVBAGLBSA-N 1 0 413.831 3.877 20 30 HHEDRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000542532477 1013476079 /nfs/dbraw/zinc/47/60/79/1013476079.db2.gz QXCKEBNIYYYSPA-CXAGYDPISA-N 1 0 403.548 3.537 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025359558 964250327 /nfs/dbraw/zinc/25/03/27/964250327.db2.gz OWOMOQQTKFAVAI-NRFANRHFSA-N 1 0 408.546 3.659 20 30 HHEDRO CN1CCC([NH+]2CCC(NC(=O)c3ccccc3-c3ccccc3C#N)CC2)CC1 ZINC000050800779 964401797 /nfs/dbraw/zinc/40/17/97/964401797.db2.gz BUJLDXBUVTWNEF-UHFFFAOYSA-N 1 0 402.542 3.514 20 30 HHEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051056262 964453674 /nfs/dbraw/zinc/45/36/74/964453674.db2.gz HLJMZDTZBBELKR-SFTDATJTSA-N 1 0 412.578 3.567 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026297898 964518319 /nfs/dbraw/zinc/51/83/19/964518319.db2.gz GMWABOFJOTZXTM-FQEVSTJZSA-N 1 0 404.558 3.689 20 30 HHEDRO C=CCOc1ccccc1C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000026962290 964734752 /nfs/dbraw/zinc/73/47/52/964734752.db2.gz XMTAZSOBAUPQJL-UHFFFAOYSA-N 1 0 407.558 3.892 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[n+]1ccc(C)cc1 ZINC000027311828 964846139 /nfs/dbraw/zinc/84/61/39/964846139.db2.gz XEUCLMYPYWAZKA-UHFFFAOYSA-O 1 0 414.551 3.509 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc2c(c1)CCCC2 ZINC000027310023 964846274 /nfs/dbraw/zinc/84/62/74/964846274.db2.gz RDGZICNOOVJDLD-UHFFFAOYSA-O 1 0 407.559 3.892 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC000027927980 965000107 /nfs/dbraw/zinc/00/01/07/965000107.db2.gz KXTOKCRVTUKFMH-UHFFFAOYSA-N 1 0 408.542 3.626 20 30 HHEDRO C=CCn1c(-c2ccco2)nn(CN2CC[NH+](Cc3ccccc3C)CC2)c1=S ZINC000028784473 965182292 /nfs/dbraw/zinc/18/22/92/965182292.db2.gz XSARAOBCPUJHQS-UHFFFAOYSA-N 1 0 409.559 3.944 20 30 HHEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000029050897 965250869 /nfs/dbraw/zinc/25/08/69/965250869.db2.gz BQFMAJRJEGMZCY-XMMPIXPASA-N 1 0 420.532 3.834 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccc(C#N)cc1 ZINC000058397225 965719649 /nfs/dbraw/zinc/71/96/49/965719649.db2.gz QIXPKNORPIOXDT-UHFFFAOYSA-N 1 0 410.949 3.771 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000058954303 965971953 /nfs/dbraw/zinc/97/19/53/965971953.db2.gz RWKCQOYVUJMKLU-IBGZPJMESA-N 1 0 421.589 3.895 20 30 HHEDRO CC(C)(C)CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000055936244 966146760 /nfs/dbraw/zinc/14/67/60/966146760.db2.gz WYURFQBRYSVKFP-UHFFFAOYSA-N 1 0 402.608 3.881 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000056170882 966245710 /nfs/dbraw/zinc/24/57/10/966245710.db2.gz OBVJPUXOQAZSQG-IBGZPJMESA-N 1 0 400.567 3.726 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)ccc1OC ZINC000060947816 966334543 /nfs/dbraw/zinc/33/45/43/966334543.db2.gz BCBUWPHNIRQZQC-KDURUIRLSA-N 1 0 411.546 3.949 20 30 HHEDRO CC(C)C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)N1CCOCC1 ZINC000060972516 966340002 /nfs/dbraw/zinc/34/00/02/966340002.db2.gz AJJLOIMBMASSFU-DEOSSOPVSA-N 1 0 407.558 3.974 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000056624837 966399384 /nfs/dbraw/zinc/39/93/84/966399384.db2.gz VWPLCJVLVCYJFG-FQEVSTJZSA-N 1 0 412.559 3.987 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3N3CCCC3)CC2)cc1 ZINC000056953586 966529697 /nfs/dbraw/zinc/52/96/97/966529697.db2.gz YNEPLOLIPGHBLI-UHFFFAOYSA-N 1 0 417.557 3.576 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)C1 ZINC000062047244 966606967 /nfs/dbraw/zinc/60/69/67/966606967.db2.gz SDPAJKANQWEYRF-MRXNPFEDSA-N 1 0 424.932 3.698 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000062231255 966628092 /nfs/dbraw/zinc/62/80/92/966628092.db2.gz PYRJSDSZTZFIPH-OAQYLSRUSA-N 1 0 422.598 3.999 20 30 HHEDRO CCOc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)CCOCC2)cc1 ZINC000062241223 966629416 /nfs/dbraw/zinc/62/94/16/966629416.db2.gz MROHTDUNHUYICS-SFHVURJKSA-N 1 0 407.514 3.622 20 30 HHEDRO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000042597848 966805559 /nfs/dbraw/zinc/80/55/59/966805559.db2.gz OILNEJFEYMPNTH-UHFFFAOYSA-N 1 0 416.443 3.758 20 30 HHEDRO CSc1cccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000042643470 966818892 /nfs/dbraw/zinc/81/88/92/966818892.db2.gz JVCWDQNPPPTQKH-GOSISDBHSA-N 1 0 408.571 3.815 20 30 HHEDRO CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741068 966840248 /nfs/dbraw/zinc/84/02/48/966840248.db2.gz SXLQHQCRTDQQLH-INIZCTEOSA-N 1 0 401.457 3.901 20 30 HHEDRO CCc1c(C(=O)C(C(=S)NC(C)C)[n+]2ccc(CC)cc2)[nH]c(C)c1C(C)=O ZINC000063440541 966857888 /nfs/dbraw/zinc/85/78/88/966857888.db2.gz CRVJPCGXQDOLDV-UHFFFAOYSA-O 1 0 400.568 3.875 20 30 HHEDRO CC(C)[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(C#N)cc1 ZINC000063751204 966946410 /nfs/dbraw/zinc/94/64/10/966946410.db2.gz CSMPWWIRZOLMKR-UHFFFAOYSA-N 1 0 408.546 3.563 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000044566469 967241085 /nfs/dbraw/zinc/24/10/85/967241085.db2.gz SAYVHTUUSCOLJW-UHFFFAOYSA-N 1 0 418.566 3.738 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000045787390 967552575 /nfs/dbraw/zinc/55/25/75/967552575.db2.gz RDSVWNWXGJQVED-KDURUIRLSA-N 1 0 406.530 3.509 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000542899681 1013742782 /nfs/dbraw/zinc/74/27/82/1013742782.db2.gz ABTGMVQOFKTGFW-XLIONFOSSA-N 1 0 424.570 3.969 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)c1C#N ZINC000542913877 1013753668 /nfs/dbraw/zinc/75/36/68/1013753668.db2.gz PYDOGHDTAQIGMR-NRFANRHFSA-N 1 0 400.567 3.951 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538209022 1013762687 /nfs/dbraw/zinc/76/26/87/1013762687.db2.gz WOHDMVYXXLLSKP-LSDHHAIUSA-N 1 0 422.554 3.913 20 30 HHEDRO CCOc1c(Cl)cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000047010494 968030573 /nfs/dbraw/zinc/03/05/73/968030573.db2.gz UJOJHUHMJWVUHM-UHFFFAOYSA-N 1 0 415.921 3.823 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000047011328 968031233 /nfs/dbraw/zinc/03/12/33/968031233.db2.gz KPMBHDVWKFSENS-UHFFFAOYSA-N 1 0 413.905 3.577 20 30 HHEDRO COc1ccc(Cl)cc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047133904 968063367 /nfs/dbraw/zinc/06/33/67/968063367.db2.gz MYPRNEREJFXWDE-UHFFFAOYSA-N 1 0 412.921 3.638 20 30 HHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1)C[C@H]1CCCCO1 ZINC000538219722 1013771240 /nfs/dbraw/zinc/77/12/40/1013771240.db2.gz UDYRHFMFKOICCI-JOCHJYFZSA-N 1 0 421.545 3.783 20 30 HHEDRO C[NH+](C)Cc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000047436482 968190178 /nfs/dbraw/zinc/19/01/78/968190178.db2.gz OFUGIFQBMSBPFD-UHFFFAOYSA-N 1 0 419.485 3.723 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)nc3)c2)c1 ZINC000047700475 968278145 /nfs/dbraw/zinc/27/81/45/968278145.db2.gz WVURGIGMYFEANJ-UHFFFAOYSA-N 1 0 414.509 3.659 20 30 HHEDRO CC1CC[NH+](CCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000048126068 968443340 /nfs/dbraw/zinc/44/33/40/968443340.db2.gz PUTHRHJHOGNVGY-UHFFFAOYSA-N 1 0 405.502 3.664 20 30 HHEDRO CC(=O)Nc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000048365314 968531742 /nfs/dbraw/zinc/53/17/42/968531742.db2.gz XATIEMBFZPLFPL-UHFFFAOYSA-N 1 0 405.502 3.565 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000065930774 968720644 /nfs/dbraw/zinc/72/06/44/968720644.db2.gz GFTZNDVLOBIIMD-UHFFFAOYSA-N 1 0 402.498 3.736 20 30 HHEDRO COc1ccc(Cl)cc1NCCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930170 968720676 /nfs/dbraw/zinc/72/06/76/968720676.db2.gz KTCLKLDFQHDJKY-UHFFFAOYSA-N 1 0 414.937 3.613 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000065930420 968720851 /nfs/dbraw/zinc/72/08/51/968720851.db2.gz QYOBGVWCKSOAPL-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO Cc1nc(-c2ccccn2)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930940 968721393 /nfs/dbraw/zinc/72/13/93/968721393.db2.gz INBBJTYABADALK-UHFFFAOYSA-N 1 0 405.527 3.589 20 30 HHEDRO N#Cc1ccc(OCCCN2CCC[N@H+](CCCOc3ccc(C#N)cc3)CC2)cc1 ZINC000071950612 968904104 /nfs/dbraw/zinc/90/41/04/968904104.db2.gz WJFPFXHNLYWNON-UHFFFAOYSA-N 1 0 418.541 3.676 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)cc1 ZINC000072073474 968974045 /nfs/dbraw/zinc/97/40/45/968974045.db2.gz LWQBBHAKHXRCEO-GOSISDBHSA-N 1 0 401.304 3.729 20 30 HHEDRO COC(=O)CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000109389689 969510284 /nfs/dbraw/zinc/51/02/84/969510284.db2.gz AVTAPNWREVRUPM-UHFFFAOYSA-N 1 0 405.564 3.738 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000554288613 1013895217 /nfs/dbraw/zinc/89/52/17/1013895217.db2.gz CPSOVSXIQCZTII-UHFFFAOYSA-N 1 0 422.316 3.732 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCc3nnc4n3CCCCC4)c2)c1 ZINC000110569041 969688635 /nfs/dbraw/zinc/68/86/35/969688635.db2.gz RMRIBTOEHNVXHS-UHFFFAOYSA-N 1 0 401.514 3.787 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC1CC[NH+](CC2CCCCC2)CC1)c1ccccc1 ZINC000110893399 969735767 /nfs/dbraw/zinc/73/57/67/969735767.db2.gz UZYQWXYGYWOQKR-UHFFFAOYSA-N 1 0 424.589 3.874 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000110982732 969753693 /nfs/dbraw/zinc/75/36/93/969753693.db2.gz RFFNDPDRRSWINX-LJQANCHMSA-N 1 0 406.530 3.807 20 30 HHEDRO CC(C)[C@@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000112657123 969821793 /nfs/dbraw/zinc/82/17/93/969821793.db2.gz JPMWAOUQESYNPS-HXUWFJFHSA-N 1 0 411.571 3.956 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2CCCCC2)cc1OC ZINC000195733018 969989456 /nfs/dbraw/zinc/98/94/56/969989456.db2.gz JHIQIGULBPHSRY-QHCPKHFHSA-N 1 0 401.551 3.893 20 30 HHEDRO Cn1nc(CCC[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1-c1ccc(F)cc1 ZINC000139974573 970056946 /nfs/dbraw/zinc/05/69/46/970056946.db2.gz HMOLNIFDKTYUSN-UHFFFAOYSA-N 1 0 419.504 3.991 20 30 HHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1Br ZINC000216243073 970068079 /nfs/dbraw/zinc/06/80/79/970068079.db2.gz VSNAUSNINOIFAZ-AWEZNQCLSA-N 1 0 408.340 3.793 20 30 HHEDRO C=CCOc1ccccc1C[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000236674939 970153979 /nfs/dbraw/zinc/15/39/79/970153979.db2.gz NUQNVYIXLFVPJM-UHFFFAOYSA-N 1 0 420.600 3.820 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000143143902 970183991 /nfs/dbraw/zinc/18/39/91/970183991.db2.gz AHFULJUJIGZYEP-HSZRJFAPSA-N 1 0 407.562 3.608 20 30 HHEDRO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000236955829 970193620 /nfs/dbraw/zinc/19/36/20/970193620.db2.gz JNXJUTGVCMIWFE-UHFFFAOYSA-N 1 0 420.557 3.830 20 30 HHEDRO C=CC[NH+]1CCC(NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000237114495 970224480 /nfs/dbraw/zinc/22/44/80/970224480.db2.gz JHIHHABBQSXAPZ-UHFFFAOYSA-N 1 0 411.502 3.922 20 30 HHEDRO COc1ccccc1[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N(C)C ZINC000237269107 970251498 /nfs/dbraw/zinc/25/14/98/970251498.db2.gz KEXXDPANTNOJMH-QFIPXVFZSA-N 1 0 403.530 3.865 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)ccc1OC ZINC000237405545 970278869 /nfs/dbraw/zinc/27/88/69/970278869.db2.gz LXWASMWXPWDYDN-JOCHJYFZSA-N 1 0 414.521 3.952 20 30 HHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 ZINC000237494126 970301334 /nfs/dbraw/zinc/30/13/34/970301334.db2.gz PFPANJOSLVFPAN-SFHVURJKSA-N 1 0 400.482 3.939 20 30 HHEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237547950 970311386 /nfs/dbraw/zinc/31/13/86/970311386.db2.gz APBFOHGZPCUCTG-GBESFXJTSA-N 1 0 407.514 3.517 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)Cc2cccc(F)c2)c1 ZINC000237743120 970351929 /nfs/dbraw/zinc/35/19/29/970351929.db2.gz UBBWODSWUNXGAQ-UHFFFAOYSA-N 1 0 417.484 3.725 20 30 HHEDRO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cccc(OCc4ccccc4C#N)c3)C2)cn1 ZINC000237791684 970367706 /nfs/dbraw/zinc/36/77/06/970367706.db2.gz NRROHANYDKMROS-JOCHJYFZSA-N 1 0 401.514 3.629 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)c(-c2ccccc2)n1 ZINC000237844954 970379859 /nfs/dbraw/zinc/37/98/59/970379859.db2.gz MRPUNADXNPLTRA-UHFFFAOYSA-N 1 0 413.403 3.609 20 30 HHEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(C)ccc1OC)[n+]1ccc(N(C)C)cc1 ZINC000154471592 970443085 /nfs/dbraw/zinc/44/30/85/970443085.db2.gz JJSLPAHHKDFNFK-INIZCTEOSA-O 1 0 400.568 3.684 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)N[C@@H](C)CC)[n+]2ccc(N(C)C)cc2)cc1 ZINC000154493541 970443276 /nfs/dbraw/zinc/44/32/76/970443276.db2.gz CAAXRGDQINURQO-INIZCTEOSA-O 1 0 400.568 3.766 20 30 HHEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1cccc(Br)c1 ZINC000554745383 1014036602 /nfs/dbraw/zinc/03/66/02/1014036602.db2.gz JWNLQXNBLGRGNH-UHFFFAOYSA-N 1 0 416.319 3.798 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCC(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000303979039 972565650 /nfs/dbraw/zinc/56/56/50/972565650.db2.gz MSLFHOZOVLLJCS-CYBMUJFWSA-N 1 0 405.329 3.544 20 30 HHEDRO CCCC(=O)Nc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304481262 972601091 /nfs/dbraw/zinc/60/10/91/972601091.db2.gz JOSITAGPVMMMJA-UHFFFAOYSA-N 1 0 408.424 3.928 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCC1(c2ccccc2)CCOCC1 ZINC000304491780 972601182 /nfs/dbraw/zinc/60/11/82/972601182.db2.gz LYIXJGGJFZUKFZ-UHFFFAOYSA-N 1 0 407.436 3.738 20 30 HHEDRO C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)Oc1ccccc1Br ZINC000304685287 972603019 /nfs/dbraw/zinc/60/30/19/972603019.db2.gz FXQVQBIVDWALSA-BBRMVZONSA-N 1 0 404.308 3.645 20 30 HHEDRO CC(C)(C)OC(=O)N[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000304757184 972604040 /nfs/dbraw/zinc/60/40/40/972604040.db2.gz ONRGAXIANVHXNP-OALUTQOASA-N 1 0 410.518 3.681 20 30 HHEDRO COc1cccc(NC(=[NH2+])NCCSCCOc2cccc(Br)c2)c1 ZINC000304763346 972605206 /nfs/dbraw/zinc/60/52/06/972605206.db2.gz WRWRKPYQBLWFBK-UHFFFAOYSA-N 1 0 424.364 3.997 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC(=O)N2Cc3ccccc3C2)c1 ZINC000304759876 972605697 /nfs/dbraw/zinc/60/56/97/972605697.db2.gz RQQSALFZMZTHPA-UHFFFAOYSA-N 1 0 410.518 3.533 20 30 HHEDRO CC(C)(C)OC(=O)N(CCCNC(=[NH2+])NC1CCCCCC1)Cc1cccnc1 ZINC000305746601 972615160 /nfs/dbraw/zinc/61/51/60/972615160.db2.gz QIFMOHIHDARMBW-UHFFFAOYSA-N 1 0 403.571 3.836 20 30 HHEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379704724 972774292 /nfs/dbraw/zinc/77/42/92/972774292.db2.gz KIHWVTTXWVLBLW-CRAIPNDOSA-N 1 0 403.935 3.543 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000409518924 972974123 /nfs/dbraw/zinc/97/41/23/972974123.db2.gz FDERINCBYGXACB-ROUUACIJSA-N 1 0 410.331 3.913 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1C(F)(F)F ZINC000409535041 972991056 /nfs/dbraw/zinc/99/10/56/972991056.db2.gz IPANBFIJCDOTSD-UHFFFAOYSA-N 1 0 423.460 3.651 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000409561710 973014386 /nfs/dbraw/zinc/01/43/86/973014386.db2.gz MWVKSDXKCRHCKF-UHFFFAOYSA-N 1 0 411.449 3.507 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCOc2c(Br)cccc21)C(=O)Nc1cccc(C#N)c1 ZINC000409850189 973318426 /nfs/dbraw/zinc/31/84/26/973318426.db2.gz LPJULOPEMTYPBP-PXAZEXFGSA-N 1 0 400.276 3.761 20 30 HHEDRO C=CCN1CC[C@H]([N@H+](CCc2ccc(OC)c(OC)c2)Cc2ccsc2)C1=O ZINC000410400077 973999464 /nfs/dbraw/zinc/99/94/64/973999464.db2.gz GWPAUXZOAZVRKW-IBGZPJMESA-N 1 0 400.544 3.597 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000425917997 974029271 /nfs/dbraw/zinc/02/92/71/974029271.db2.gz HNSWXVVDEUIAMH-MSOLQXFVSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000425917998 974030442 /nfs/dbraw/zinc/03/04/42/974030442.db2.gz HNSWXVVDEUIAMH-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO C=C[C@@H]1CCCCN1C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000426058643 974179985 /nfs/dbraw/zinc/17/99/85/974179985.db2.gz FFCDOFQQGJEHJK-GOSISDBHSA-N 1 0 410.484 3.707 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000426246132 974340554 /nfs/dbraw/zinc/34/05/54/974340554.db2.gz ZAPMJLNWDGCWTQ-IBGZPJMESA-N 1 0 418.541 3.620 20 30 HHEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000426557465 974527198 /nfs/dbraw/zinc/52/71/98/974527198.db2.gz RGZQWLIBMSXOQI-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000426638776 974576570 /nfs/dbraw/zinc/57/65/70/974576570.db2.gz SHVCQEGRVHGGHD-QZTJIDSGSA-N 1 0 415.582 3.858 20 30 HHEDRO CC(C)Oc1cc(Br)cc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000426647263 974580938 /nfs/dbraw/zinc/58/09/38/974580938.db2.gz MMAHOUSCNVPVQA-UHFFFAOYSA-N 1 0 411.344 3.936 20 30 HHEDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+]1CCCCC1 ZINC000426970156 974787971 /nfs/dbraw/zinc/78/79/71/974787971.db2.gz BSMRNFIQVRRQRU-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000427094088 974897948 /nfs/dbraw/zinc/89/79/48/974897948.db2.gz PCXKCYFZUKZBRR-RPWUZVMVSA-N 1 0 403.526 3.723 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000427638734 975220110 /nfs/dbraw/zinc/22/01/10/975220110.db2.gz VZBJGEFZHDUXCU-UHFFFAOYSA-N 1 0 404.495 3.625 20 30 HHEDRO C[NH+](C)C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000427787335 975288651 /nfs/dbraw/zinc/28/86/51/975288651.db2.gz VSQVSMFKJMWOED-MRXNPFEDSA-N 1 0 423.460 3.649 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000427822432 975308976 /nfs/dbraw/zinc/30/89/76/975308976.db2.gz DMIVBQKVSQNTLL-VWKPWSFCSA-N 1 0 413.543 3.684 20 30 HHEDRO N#Cc1cc(NC2CC[NH+](CCN3CCOCC3)CC2)ccc1Oc1ccccc1 ZINC000428409920 975729422 /nfs/dbraw/zinc/72/94/22/975729422.db2.gz OKLFBBLYOLJNNC-UHFFFAOYSA-N 1 0 406.530 3.559 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)nc1 ZINC000428809913 976088763 /nfs/dbraw/zinc/08/87/63/976088763.db2.gz WZZDNXGIMWWUTM-UXHICEINSA-N 1 0 412.493 3.575 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H](C)c1ccccc1 ZINC000428851759 976139069 /nfs/dbraw/zinc/13/90/69/976139069.db2.gz RZNUJLIBPIELBJ-TZIWHRDSSA-N 1 0 410.587 3.929 20 30 HHEDRO N#CC1(NC(=O)c2cccc(Br)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000429076037 976360566 /nfs/dbraw/zinc/36/05/66/976360566.db2.gz HENCLMHKZWZRTP-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084976 976370913 /nfs/dbraw/zinc/37/09/13/976370913.db2.gz PHUBYMPQFFJAAT-CVDCTZTESA-N 1 0 413.525 3.714 20 30 HHEDRO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429363752 976633346 /nfs/dbraw/zinc/63/33/46/976633346.db2.gz DPQSKAKGZZBVRO-HUUCEWRRSA-N 1 0 404.942 3.508 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccc(F)cc1 ZINC000429603660 976885063 /nfs/dbraw/zinc/88/50/63/976885063.db2.gz GUAFHLGMJOAUHO-OAQYLSRUSA-N 1 0 405.477 3.636 20 30 HHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000429716141 977008225 /nfs/dbraw/zinc/00/82/25/977008225.db2.gz JWSIOIFEXJSSOW-UHFFFAOYSA-N 1 0 401.869 3.970 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000429752968 977045981 /nfs/dbraw/zinc/04/59/81/977045981.db2.gz QBCITHHPASXHGF-UHFFFAOYSA-N 1 0 423.348 3.937 20 30 HHEDRO C[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1OCCc2sccc21 ZINC000429828454 977097700 /nfs/dbraw/zinc/09/77/00/977097700.db2.gz OGJSHAKTLNLYOC-VGOFRKELSA-N 1 0 409.555 3.604 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(C(F)(F)F)cc4)c3)C2)nc1 ZINC000430161409 977357052 /nfs/dbraw/zinc/35/70/52/977357052.db2.gz NCFQPRBLRDXORX-LJQANCHMSA-N 1 0 413.403 3.811 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000430270290 977434805 /nfs/dbraw/zinc/43/48/05/977434805.db2.gz UTVQTCZZRDBBLE-IBPRQYQWSA-N 1 0 413.562 3.597 20 30 HHEDRO N#CCCn1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1-c1ccccc1 ZINC000430295995 977455761 /nfs/dbraw/zinc/45/57/61/977455761.db2.gz RYKOQXRGWDVCAU-KNQAVFIVSA-N 1 0 403.530 3.553 20 30 HHEDRO C=CCC[C@H](NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000430346800 977492304 /nfs/dbraw/zinc/49/23/04/977492304.db2.gz YKJXVSXVHCISFY-ZCYQVOJMSA-N 1 0 407.558 3.972 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000430563169 977632738 /nfs/dbraw/zinc/63/27/38/977632738.db2.gz HZWQEXDTLGBVFX-KOMQPUFPSA-N 1 0 410.331 3.784 20 30 HHEDRO COc1ccccc1N(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000430669048 977680312 /nfs/dbraw/zinc/68/03/12/977680312.db2.gz JPTIKRAUOUZUBU-UHFFFAOYSA-N 1 0 419.934 3.510 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(SCC#N)c3)cc2)C[C@H](C)O1 ZINC000430738601 977719124 /nfs/dbraw/zinc/71/91/24/977719124.db2.gz ZQMVAZSYDPCXAS-ROUUACIJSA-N 1 0 409.555 3.841 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431036255 977969166 /nfs/dbraw/zinc/96/91/66/977969166.db2.gz VXBPBTGOANSWCM-PMOQBDJRSA-N 1 0 403.526 3.883 20 30 HHEDRO COc1cc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1C#N ZINC000431368480 978243594 /nfs/dbraw/zinc/24/35/94/978243594.db2.gz HKEGJIAJISDDGK-UHFFFAOYSA-N 1 0 418.541 3.765 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CCCO1 ZINC000432542045 978875640 /nfs/dbraw/zinc/87/56/40/978875640.db2.gz MTFXXBNEMQEIII-KRWDZBQOSA-N 1 0 411.477 3.720 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000432567017 978891710 /nfs/dbraw/zinc/89/17/10/978891710.db2.gz FQLJRNKLTXDGGV-IBGZPJMESA-N 1 0 410.543 3.682 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCCO1 ZINC000432582421 978900222 /nfs/dbraw/zinc/90/02/22/978900222.db2.gz VICSEUCVFSKZDN-GOSISDBHSA-N 1 0 409.555 3.940 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000432720617 978947942 /nfs/dbraw/zinc/94/79/42/978947942.db2.gz YBBUZHWYCANCTR-QHCPKHFHSA-N 1 0 418.541 3.929 20 30 HHEDRO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433010068 979041097 /nfs/dbraw/zinc/04/10/97/979041097.db2.gz JOIPDXDHUJEQSJ-HXUWFJFHSA-N 1 0 412.921 3.728 20 30 HHEDRO Cc1cccc(CN2CCN(C(=O)C[NH2+][C@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000433012851 979041907 /nfs/dbraw/zinc/04/19/07/979041907.db2.gz VDYSRIBLVSZCLX-XMMPIXPASA-N 1 0 404.558 3.664 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2ccccc2Br)c(-c2ccncc2)n1 ZINC000433180667 979123959 /nfs/dbraw/zinc/12/39/59/979123959.db2.gz IECCUKLXSDQVAG-UHFFFAOYSA-N 1 0 410.319 3.954 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCSC1 ZINC000433199049 979135435 /nfs/dbraw/zinc/13/54/35/979135435.db2.gz JLFDLQOSHLKVTL-OAHLLOKOSA-N 1 0 407.605 3.671 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294664 979221207 /nfs/dbraw/zinc/22/12/07/979221207.db2.gz NBXYDCAZNCINQR-LJQANCHMSA-N 1 0 412.331 3.502 20 30 HHEDRO CCc1ccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)N(C)C)cc1 ZINC000433311659 979229497 /nfs/dbraw/zinc/22/94/97/979229497.db2.gz NJNWNNSXXGPNOH-QHCPKHFHSA-N 1 0 402.546 3.814 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c(-c2ccncc2)n1 ZINC000433312599 979230502 /nfs/dbraw/zinc/23/05/02/979230502.db2.gz RKLYRIJEHOPDLU-UHFFFAOYSA-N 1 0 423.904 3.963 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433320323 979234718 /nfs/dbraw/zinc/23/47/18/979234718.db2.gz RTTDDVKYOOHNCO-SYNHAJSKSA-N 1 0 406.368 3.756 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)c(-c2ccncc2)n1 ZINC000433321723 979235384 /nfs/dbraw/zinc/23/53/84/979235384.db2.gz OIRCIBDWIXVBAL-UHFFFAOYSA-N 1 0 402.502 3.865 20 30 HHEDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)N2CCCC2)o1 ZINC000433336952 979246304 /nfs/dbraw/zinc/24/63/04/979246304.db2.gz XMGVBBQONJSWLQ-OAQYLSRUSA-N 1 0 404.518 3.687 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433361896 979256156 /nfs/dbraw/zinc/25/61/56/979256156.db2.gz ILTZIKPBWMTLQE-FQEVSTJZSA-N 1 0 406.530 3.548 20 30 HHEDRO CC[NH+](CC)CCN(C(=O)c1cc(C#N)cn1C)c1cccc(Br)c1 ZINC000433415047 979285923 /nfs/dbraw/zinc/28/59/23/979285923.db2.gz ZIBXJGOPZXEOBR-UHFFFAOYSA-N 1 0 403.324 3.648 20 30 HHEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000434788088 980398965 /nfs/dbraw/zinc/39/89/65/980398965.db2.gz XNQCDROAXFBPLT-AZUAARDMSA-N 1 0 404.297 3.784 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccccc1 ZINC000434811222 980415270 /nfs/dbraw/zinc/41/52/70/980415270.db2.gz XWOIKXZQBUAJCX-PZJWPPBQSA-N 1 0 407.514 3.834 20 30 HHEDRO Cc1cccc(N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1C ZINC000434834532 980431271 /nfs/dbraw/zinc/43/12/71/980431271.db2.gz ROCRYDBZJIFNAD-UHFFFAOYSA-N 1 0 400.530 3.798 20 30 HHEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000434979334 980546071 /nfs/dbraw/zinc/54/60/71/980546071.db2.gz SHDGMIXWAQSTQW-PMACEKPBSA-N 1 0 409.534 3.598 20 30 HHEDRO Cc1ccnc(OC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000434982067 980547674 /nfs/dbraw/zinc/54/76/74/980547674.db2.gz NAZJGIZETHAEJG-UHFFFAOYSA-N 1 0 402.502 3.606 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000435024999 980580135 /nfs/dbraw/zinc/58/01/35/980580135.db2.gz GWDCNATXCQTILQ-URXFXBBRSA-N 1 0 420.582 3.713 20 30 HHEDRO N#CCCn1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c(-c2ccncc2)n1 ZINC000435124834 980657133 /nfs/dbraw/zinc/65/71/33/980657133.db2.gz AUQSPZRLCMGOQI-QHCPKHFHSA-N 1 0 401.514 3.692 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000435129508 980660497 /nfs/dbraw/zinc/66/04/97/980660497.db2.gz KEHWHSHAWJAJME-UHFFFAOYSA-N 1 0 422.476 3.564 20 30 HHEDRO C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000435132804 980663882 /nfs/dbraw/zinc/66/38/82/980663882.db2.gz ZVPNFELZDXNTDX-OAQYLSRUSA-N 1 0 414.557 3.955 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C(F)(F)F ZINC000435159999 980688566 /nfs/dbraw/zinc/68/85/66/980688566.db2.gz YLBPNDSNHOXZKD-UHFFFAOYSA-N 1 0 423.460 3.651 20 30 HHEDRO N#Cc1cc(F)c(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000435379782 980828204 /nfs/dbraw/zinc/82/82/04/980828204.db2.gz NKVBYNIHIMQFSE-KRWDZBQOSA-N 1 0 407.424 3.732 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C#N ZINC000435540162 980929976 /nfs/dbraw/zinc/92/99/76/980929976.db2.gz AGQXIAGACGBENF-UHFFFAOYSA-N 1 0 422.529 3.624 20 30 HHEDRO Cc1cnn(-c2ccc(C)cc2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000435559444 980941460 /nfs/dbraw/zinc/94/14/60/980941460.db2.gz PYVQPDCOZYRFEE-UHFFFAOYSA-N 1 0 416.529 3.957 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000435750566 981015680 /nfs/dbraw/zinc/01/56/80/981015680.db2.gz YJKRUYWPLXECQB-YKSBVNFPSA-N 1 0 416.562 3.547 20 30 HHEDRO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000435760657 981019668 /nfs/dbraw/zinc/01/96/68/981019668.db2.gz LOOMVMIRNRRMKE-TZRRMPRUSA-N 1 0 407.558 3.876 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)Cc2cccnc2)C1 ZINC000435871365 981070456 /nfs/dbraw/zinc/07/04/56/981070456.db2.gz JSVVIOWQRDTIKZ-UHFFFAOYSA-N 1 0 415.541 3.745 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C#N)c2ccccc2F)C1 ZINC000436022267 981162234 /nfs/dbraw/zinc/16/22/34/981162234.db2.gz LUDFUKSCVUEAJG-NRFANRHFSA-N 1 0 404.489 3.928 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000436335883 981308319 /nfs/dbraw/zinc/30/83/19/981308319.db2.gz WTYXOSACYOLVCM-AVRDEDQJSA-N 1 0 414.550 3.604 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000448386064 981742587 /nfs/dbraw/zinc/74/25/87/981742587.db2.gz ICKSRCDUTMVWRD-OAHLLOKOSA-N 1 0 412.456 3.989 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000448406906 981760225 /nfs/dbraw/zinc/76/02/25/981760225.db2.gz XNWDNHZLAINDOI-FQEVSTJZSA-N 1 0 412.578 3.990 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](Cc3ccc(F)cc3)C3CCOCC3)C2=O)cc1 ZINC000448511083 981840989 /nfs/dbraw/zinc/84/09/89/981840989.db2.gz RKYYBBZGUBZCNE-QHCPKHFHSA-N 1 0 407.489 3.874 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](Cc3ccc(F)cc3)C3CCOCC3)C2=O)cc1 ZINC000448511082 981841165 /nfs/dbraw/zinc/84/11/65/981841165.db2.gz RKYYBBZGUBZCNE-HSZRJFAPSA-N 1 0 407.489 3.874 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1cccc(C)c1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437328378 981980003 /nfs/dbraw/zinc/98/00/03/981980003.db2.gz BRYRNOXLHOWQRK-OAQYLSRUSA-N 1 0 418.541 3.708 20 30 HHEDRO CCn1c(-c2ccc(C)s2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460209832 981985207 /nfs/dbraw/zinc/98/52/07/981985207.db2.gz GUXMLQDTEHUAQX-UHFFFAOYSA-N 1 0 406.559 3.919 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000437417428 982058989 /nfs/dbraw/zinc/05/89/89/982058989.db2.gz ZWBFCSUOYQZHQU-XXBNENTESA-N 1 0 415.578 3.652 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460386643 982165861 /nfs/dbraw/zinc/16/58/61/982165861.db2.gz IXKCBDOIQIGAGB-GDBMZVCRSA-N 1 0 421.387 3.921 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)cc1 ZINC000437574938 982205947 /nfs/dbraw/zinc/20/59/47/982205947.db2.gz DQVRJBGEOHNORW-UHFFFAOYSA-N 1 0 403.505 3.650 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2nc3ccccc3n2C)c(OC)c1 ZINC000437601686 982224029 /nfs/dbraw/zinc/22/40/29/982224029.db2.gz KIZRWNHDFZWMHG-DENIHFKCSA-N 1 0 421.541 3.887 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460542149 982328872 /nfs/dbraw/zinc/32/88/72/982328872.db2.gz IJJKLWXJPUOYLH-HKUYNNGSSA-N 1 0 413.566 3.705 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460545551 982332059 /nfs/dbraw/zinc/33/20/59/982332059.db2.gz AGLZMRIMQUWVPU-FCEUIQTBSA-N 1 0 409.578 3.847 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460560191 982345856 /nfs/dbraw/zinc/34/58/56/982345856.db2.gz NWIFNXHNWHAGPV-IBGZPJMESA-N 1 0 415.969 3.724 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460560193 982345945 /nfs/dbraw/zinc/34/59/45/982345945.db2.gz NWIFNXHNWHAGPV-LJQANCHMSA-N 1 0 415.969 3.724 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460563346 982348318 /nfs/dbraw/zinc/34/83/18/982348318.db2.gz UXYLULRKVRQGBO-KRWDZBQOSA-N 1 0 415.969 3.864 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460576861 982361291 /nfs/dbraw/zinc/36/12/91/982361291.db2.gz RFRYFVMEPPRQQG-RTBURBONSA-N 1 0 411.550 3.505 20 30 HHEDRO CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460585588 982370358 /nfs/dbraw/zinc/37/03/58/982370358.db2.gz LNDZLYQMZLCVQV-OAQYLSRUSA-N 1 0 422.577 3.839 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000437848861 982406059 /nfs/dbraw/zinc/40/60/59/982406059.db2.gz OJDXTMVBKLPIOQ-QGZVFWFLSA-N 1 0 407.518 3.591 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000437883707 982434683 /nfs/dbraw/zinc/43/46/83/982434683.db2.gz PAVGAUCPNLILPH-IIBYNOLFSA-N 1 0 405.502 3.757 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460724296 982479069 /nfs/dbraw/zinc/47/90/69/982479069.db2.gz ZQJDRYAHBVLYNQ-RXVVDRJESA-N 1 0 410.566 3.552 20 30 HHEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460783057 982535733 /nfs/dbraw/zinc/53/57/33/982535733.db2.gz CYLYMDFDKQIENG-SFHVURJKSA-N 1 0 413.591 3.828 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460786315 982538763 /nfs/dbraw/zinc/53/87/63/982538763.db2.gz XRKLXGUQRUMSSO-UHFFFAOYSA-N 1 0 423.561 3.747 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460792780 982545085 /nfs/dbraw/zinc/54/50/85/982545085.db2.gz JMLTXPSUOGGPQO-LJQANCHMSA-N 1 0 410.522 3.884 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000438045871 982547662 /nfs/dbraw/zinc/54/76/62/982547662.db2.gz VQAGAYJZDLBEDN-UHFFFAOYSA-N 1 0 423.492 3.834 20 30 HHEDRO CCOCCCn1c([C@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460795132 982547774 /nfs/dbraw/zinc/54/77/74/982547774.db2.gz YOGVQSVDKBACIU-HXUWFJFHSA-N 1 0 424.593 3.802 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000438051296 982552766 /nfs/dbraw/zinc/55/27/66/982552766.db2.gz GKUYMHLAOHAMGJ-UHOSZYNNSA-N 1 0 411.468 3.560 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2OC)CC1 ZINC000438098831 982587261 /nfs/dbraw/zinc/58/72/61/982587261.db2.gz QXEIJLSULLJMNY-UHFFFAOYSA-N 1 0 423.513 3.583 20 30 HHEDRO C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460882806 982622010 /nfs/dbraw/zinc/62/20/10/982622010.db2.gz MLDINBJJJYLNGM-HXUWFJFHSA-N 1 0 421.589 3.811 20 30 HHEDRO COc1cc(CNC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)ccc1C#N ZINC000460883526 982622520 /nfs/dbraw/zinc/62/25/20/982622520.db2.gz OHWZIZMHKJKXGE-SFHVURJKSA-N 1 0 420.435 3.688 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC1 ZINC000461112491 982801871 /nfs/dbraw/zinc/80/18/71/982801871.db2.gz JSEAJMSPDJWYON-UHFFFAOYSA-N 1 0 402.489 3.964 20 30 HHEDRO CC(C)C1CCC([NH+]2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 ZINC000438549115 982888755 /nfs/dbraw/zinc/88/87/55/982888755.db2.gz YGJFYHNTIOJVRE-UUKMXZOPSA-N 1 0 400.592 3.557 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000438607698 982935092 /nfs/dbraw/zinc/93/50/92/982935092.db2.gz LOFVGRQOIPQOQM-UHFFFAOYSA-N 1 0 418.497 3.881 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000438659217 982977000 /nfs/dbraw/zinc/97/70/00/982977000.db2.gz XQOIBBSFRGUZMM-KNQAVFIVSA-N 1 0 421.541 3.874 20 30 HHEDRO N#Cc1cccc(-c2nnc(CN3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)o2)c1 ZINC000438782967 983068129 /nfs/dbraw/zinc/06/81/29/983068129.db2.gz OKAQWBDRTKIHCA-MRXNPFEDSA-N 1 0 422.876 3.507 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(OC)c1 ZINC000461428551 983091752 /nfs/dbraw/zinc/09/17/52/983091752.db2.gz IJQLDTREWOBGFO-XZOQPEGZSA-N 1 0 420.553 3.783 20 30 HHEDRO N#CCC[C@H](NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000438845231 983112061 /nfs/dbraw/zinc/11/20/61/983112061.db2.gz ZKPZGXDUTFKQRW-DEOSSOPVSA-N 1 0 419.573 3.539 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461449105 983114092 /nfs/dbraw/zinc/11/40/92/983114092.db2.gz PTIFSPZDVFYOGA-SFTDATJTSA-N 1 0 406.526 3.854 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000438851628 983118101 /nfs/dbraw/zinc/11/81/01/983118101.db2.gz ZARCHURTEJRILR-DEOSSOPVSA-N 1 0 419.573 3.668 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)cc1 ZINC000438855433 983122141 /nfs/dbraw/zinc/12/21/41/983122141.db2.gz UXCQNGLQXBUMED-HSZRJFAPSA-N 1 0 406.530 3.958 20 30 HHEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000438983950 983195247 /nfs/dbraw/zinc/19/52/47/983195247.db2.gz DBFXBUDYGUURMX-UHFFFAOYSA-N 1 0 402.420 3.890 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000439231761 983321505 /nfs/dbraw/zinc/32/15/05/983321505.db2.gz WBFADEKWFOLGHR-GOSISDBHSA-N 1 0 417.962 3.744 20 30 HHEDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439328175 983367323 /nfs/dbraw/zinc/36/73/23/983367323.db2.gz WXRWTRWXZKMQJA-HJNYFJLDSA-N 1 0 422.598 3.725 20 30 HHEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000439429193 983405181 /nfs/dbraw/zinc/40/51/81/983405181.db2.gz HLCDPQPGECMNMU-IBGZPJMESA-N 1 0 419.294 3.864 20 30 HHEDRO N#Cc1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c(OC(F)F)c1 ZINC000439549708 983445134 /nfs/dbraw/zinc/44/51/34/983445134.db2.gz JVLXNKXJBIVHTR-UHFFFAOYSA-N 1 0 401.457 3.976 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439731732 983518381 /nfs/dbraw/zinc/51/83/81/983518381.db2.gz KPVJLFFORJVELH-WZONZLPQSA-N 1 0 406.530 3.698 20 30 HHEDRO Cc1ccc(-c2ccnn2C)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000439957507 983594682 /nfs/dbraw/zinc/59/46/82/983594682.db2.gz KERRFODOPRDCEB-UHFFFAOYSA-N 1 0 416.529 3.863 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000440040909 983622495 /nfs/dbraw/zinc/62/24/95/983622495.db2.gz XVJVWQBFLCMFHA-OXQOHEQNSA-N 1 0 424.932 3.662 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000440252072 983697563 /nfs/dbraw/zinc/69/75/63/983697563.db2.gz DUJKNNCGMQHENM-MZKRTTBSSA-N 1 0 412.578 3.952 20 30 HHEDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCCC1 ZINC000440388215 983740805 /nfs/dbraw/zinc/74/08/05/983740805.db2.gz IABSHJJWXLIRDI-KRWDZBQOSA-N 1 0 416.591 3.696 20 30 HHEDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCCC1 ZINC000440388218 983741220 /nfs/dbraw/zinc/74/12/20/983741220.db2.gz IABSHJJWXLIRDI-QGZVFWFLSA-N 1 0 416.591 3.696 20 30 HHEDRO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1)C1CC1 ZINC000440518895 983782980 /nfs/dbraw/zinc/78/29/80/983782980.db2.gz KZZHZNZUNMYTGP-FQEVSTJZSA-N 1 0 404.352 3.611 20 30 HHEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)s2)cc1 ZINC000440714007 983865242 /nfs/dbraw/zinc/86/52/42/983865242.db2.gz TUCLKWBJHMWXFG-IBGZPJMESA-N 1 0 409.559 3.945 20 30 HHEDRO COc1cc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)ccc1C#N ZINC000440818664 983920287 /nfs/dbraw/zinc/92/02/87/983920287.db2.gz ATHBXEMZBMTOIQ-UHFFFAOYSA-N 1 0 402.498 3.976 20 30 HHEDRO COc1cc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)ccc1C#N ZINC000440828773 983926305 /nfs/dbraw/zinc/92/63/05/983926305.db2.gz UJETYYJDHGLDJP-UHFFFAOYSA-N 1 0 402.292 3.756 20 30 HHEDRO CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000440895962 983958044 /nfs/dbraw/zinc/95/80/44/983958044.db2.gz YZSFCYRHLGKKPO-UHFFFAOYSA-N 1 0 405.564 3.929 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1C#N ZINC000440906191 983963797 /nfs/dbraw/zinc/96/37/97/983963797.db2.gz GRBVMMFDIIXCAS-UHFFFAOYSA-N 1 0 412.509 3.718 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCCO)Cc2cccc(Cl)c2)sc2c1CCC2 ZINC000441075172 984057002 /nfs/dbraw/zinc/05/70/02/984057002.db2.gz ATGUHVBDWNVVQC-UHFFFAOYSA-N 1 0 417.962 3.975 20 30 HHEDRO Clc1ccccc1C#CCN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000441143147 984089022 /nfs/dbraw/zinc/08/90/22/984089022.db2.gz DLBGECOHKNZDAQ-OAQYLSRUSA-N 1 0 408.977 3.621 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441193232 984108404 /nfs/dbraw/zinc/10/84/04/984108404.db2.gz HJXSLTQIVZJQBI-UXHICEINSA-N 1 0 406.530 3.653 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000441386747 984224097 /nfs/dbraw/zinc/22/40/97/984224097.db2.gz UWFGZZKZDXBZKW-VWLOTQADSA-N 1 0 400.478 3.897 20 30 HHEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000442004348 984589722 /nfs/dbraw/zinc/58/97/22/984589722.db2.gz PXDUVMKCYAKDSI-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)Nc2ccccc2SCCC#N)c1)C1CC1 ZINC000442086746 984629098 /nfs/dbraw/zinc/62/90/98/984629098.db2.gz USMRVTBCHMLKAZ-UHFFFAOYSA-N 1 0 422.554 3.906 20 30 HHEDRO N#CC1CCC(C[NH2+][C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000442109869 984640875 /nfs/dbraw/zinc/64/08/75/984640875.db2.gz LWQDPSURIOGNJR-QPFKGPCDSA-N 1 0 405.498 3.692 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[N@@H+]1C ZINC000442167991 984690045 /nfs/dbraw/zinc/69/00/45/984690045.db2.gz JMOOUHHXCQARNK-MOXGXCLJSA-N 1 0 424.932 3.533 20 30 HHEDRO C=CCC[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(C(F)(F)F)cc1 ZINC000442203667 984723812 /nfs/dbraw/zinc/72/38/12/984723812.db2.gz DDPROABGQNRNFZ-QGZVFWFLSA-N 1 0 409.456 4.293 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)[C@H](C)C1 ZINC000461727577 984742444 /nfs/dbraw/zinc/74/24/44/984742444.db2.gz GBAIIUCJXVLSMC-QIJUGHKUSA-N 1 0 422.577 3.552 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924053 984934124 /nfs/dbraw/zinc/93/41/24/984934124.db2.gz ZLGRVDLDOKEWCU-IRXDYDNUSA-N 1 0 409.452 3.776 20 30 HHEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000461943932 984944419 /nfs/dbraw/zinc/94/44/19/984944419.db2.gz YXKBBFPMMUXYDF-GBXCKJPGSA-N 1 0 417.557 3.500 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000462023977 985001722 /nfs/dbraw/zinc/00/17/22/985001722.db2.gz ACRQFUBUTXHJEZ-ROUUACIJSA-N 1 0 408.521 3.820 20 30 HHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCOc2cccc(C#N)c2)c2ccccc2)c1 ZINC000462181099 985161113 /nfs/dbraw/zinc/16/11/13/985161113.db2.gz JOJKHTHETPSXCB-HSZRJFAPSA-N 1 0 406.507 3.720 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)c(C)c1C ZINC000462191448 985173713 /nfs/dbraw/zinc/17/37/13/985173713.db2.gz SOCRBQDFMOXCRE-QVKFZJNVSA-N 1 0 408.571 3.607 20 30 HHEDRO CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C1=O ZINC000442798688 985219740 /nfs/dbraw/zinc/21/97/40/985219740.db2.gz YTRSXWMSAHHWLT-UXHICEINSA-N 1 0 413.562 3.545 20 30 HHEDRO COc1cc(C[N@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1C#N ZINC000442887052 985261104 /nfs/dbraw/zinc/26/11/04/985261104.db2.gz WDGSYCFZLRAWEY-UHFFFAOYSA-N 1 0 421.522 4.000 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H]1C ZINC000443355624 985517746 /nfs/dbraw/zinc/51/77/46/985517746.db2.gz KOIQYSCVKCDEJB-PXNSSMCTSA-N 1 0 420.513 3.620 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ccc(C(F)(F)F)c(C#N)n3)cc2)C[C@H](C)O1 ZINC000443522249 985692203 /nfs/dbraw/zinc/69/22/03/985692203.db2.gz YCDLFVIWMBLUKB-GASCZTMLSA-N 1 0 404.436 4.193 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443640046 985828067 /nfs/dbraw/zinc/82/80/67/985828067.db2.gz PYQRLWFCZYIYJO-NIYFSFCBSA-N 1 0 416.569 3.817 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3CC[NH+](C(C)C)CC3)c2)c1 ZINC000468177900 985860194 /nfs/dbraw/zinc/86/01/94/985860194.db2.gz LURFFCDZKVBENY-UHFFFAOYSA-N 1 0 404.510 3.932 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443671181 985877017 /nfs/dbraw/zinc/87/70/17/985877017.db2.gz BOPWBWQDDWIESU-BGYRXZFFSA-N 1 0 421.541 3.756 20 30 HHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468238325 985935542 /nfs/dbraw/zinc/93/55/42/985935542.db2.gz RZLCOFVEJVHGHM-UHFFFAOYSA-N 1 0 401.470 3.526 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443810667 986006942 /nfs/dbraw/zinc/00/69/42/986006942.db2.gz VZUDQNDKUOQKLW-QGZVFWFLSA-N 1 0 412.452 3.597 20 30 HHEDRO COc1ccc(Br)c(C(=O)NCCC[NH2+]Cc2ccc(C#N)c(C)c2)c1 ZINC000443964199 986171670 /nfs/dbraw/zinc/17/16/70/986171670.db2.gz JCGJYHYHCOVPLH-UHFFFAOYSA-N 1 0 416.319 3.548 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000463246994 986216231 /nfs/dbraw/zinc/21/62/31/986216231.db2.gz LSOGVYQZHCUICH-OXQOHEQNSA-N 1 0 421.379 3.933 20 30 HHEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(-n2cc(Cl)cn2)n1 ZINC000463280390 986248115 /nfs/dbraw/zinc/24/81/15/986248115.db2.gz LYSDTLOJQFCJJJ-UHFFFAOYSA-N 1 0 420.948 3.855 20 30 HHEDRO Cc1ccc(C(C)(C)C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444163929 986340924 /nfs/dbraw/zinc/34/09/24/986340924.db2.gz DFXMLLHXLUJCLG-UHFFFAOYSA-N 1 0 401.514 3.901 20 30 HHEDRO O=C(C[N@H+](C[C@H]1CCCO1)C1CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444213073 986396390 /nfs/dbraw/zinc/39/63/90/986396390.db2.gz OTFMREBHHVPEOD-HXUWFJFHSA-N 1 0 408.464 3.597 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)c(Br)c1 ZINC000463483551 986459629 /nfs/dbraw/zinc/45/96/29/986459629.db2.gz IJARRIFKHFLNGK-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO Cc1cc(NC(=O)c2cn(CCCC#N)c3ccccc23)n(C2CC[NH+](C)CC2)n1 ZINC000444282054 986470959 /nfs/dbraw/zinc/47/09/59/986470959.db2.gz XDKRRLCSWKTEDL-UHFFFAOYSA-N 1 0 404.518 3.969 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)c(F)c1 ZINC000468779363 986491875 /nfs/dbraw/zinc/49/18/75/986491875.db2.gz BEYSGPGEHXAWFP-ZJSXRUAMSA-N 1 0 420.532 3.837 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)C[C@H](C)O1 ZINC000468812127 986520420 /nfs/dbraw/zinc/52/04/20/986520420.db2.gz CLRCMYWFOXINTI-HDICACEKSA-N 1 0 422.529 3.565 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000468891855 986598159 /nfs/dbraw/zinc/59/81/59/986598159.db2.gz HAAPNNKPDCKLAN-UHFFFAOYSA-N 1 0 403.939 3.589 20 30 HHEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H](C)O1 ZINC000469009019 986714310 /nfs/dbraw/zinc/71/43/10/986714310.db2.gz NMKYNGQEHRYRHO-ZCNNSNEGSA-N 1 0 408.546 3.659 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c(OC)c1 ZINC000444539173 986729282 /nfs/dbraw/zinc/72/92/82/986729282.db2.gz DSNDLUBBVGLFND-UHFFFAOYSA-N 1 0 424.541 3.646 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)on2)c1 ZINC000469051075 986760947 /nfs/dbraw/zinc/76/09/47/986760947.db2.gz RKCRWPLZHXSJOF-QGZVFWFLSA-N 1 0 406.511 3.917 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)on2)c1 ZINC000469050911 986761053 /nfs/dbraw/zinc/76/10/53/986761053.db2.gz RKCRWPLZHXSJOF-KRWDZBQOSA-N 1 0 406.511 3.917 20 30 HHEDRO COc1ccc(C[C@@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)c2ccc(OC)cc2)cc1 ZINC000469152232 986876499 /nfs/dbraw/zinc/87/64/99/986876499.db2.gz WBDVLILIFKSPEK-VGOFRKELSA-N 1 0 407.514 3.528 20 30 HHEDRO C=CC[C@@H]1[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCCC1(C)C ZINC000444778649 986937154 /nfs/dbraw/zinc/93/71/54/986937154.db2.gz WYWRRKHZIVUGNK-KRWDZBQOSA-N 1 0 422.367 3.571 20 30 HHEDRO Cn1ccnc1[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000444794712 986950600 /nfs/dbraw/zinc/95/06/00/986950600.db2.gz KNIHNYLARDUJBR-INIZCTEOSA-N 1 0 411.575 3.830 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)on2)c1 ZINC000469278161 986997132 /nfs/dbraw/zinc/99/71/32/986997132.db2.gz MVMBZPHIYOSSJI-HXUWFJFHSA-N 1 0 400.482 3.508 20 30 HHEDRO N#Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC000444855571 987012071 /nfs/dbraw/zinc/01/20/71/987012071.db2.gz IJJVAROWSAHWAM-UHFFFAOYSA-N 1 0 424.467 3.933 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469479074 987162280 /nfs/dbraw/zinc/16/22/80/987162280.db2.gz AWUBUFSGCCARBR-UHFFFAOYSA-N 1 0 410.562 3.908 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000469725999 987377249 /nfs/dbraw/zinc/37/72/49/987377249.db2.gz QXXKXFHCGGMNPA-AWEZNQCLSA-N 1 0 410.345 3.925 20 30 HHEDRO Cc1ccn(-c2ccccc2NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000469854163 987490958 /nfs/dbraw/zinc/49/09/58/987490958.db2.gz VQOIWBFYAWACEZ-UHFFFAOYSA-N 1 0 402.502 3.648 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000445717141 987781898 /nfs/dbraw/zinc/78/18/98/987781898.db2.gz ZWSINCDFECWXGK-UHFFFAOYSA-N 1 0 404.848 3.884 20 30 HHEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000470044069 987931870 /nfs/dbraw/zinc/93/18/70/987931870.db2.gz RBMDJIFRRWHUSJ-MRXNPFEDSA-N 1 0 413.905 3.533 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NCCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000470167015 988081097 /nfs/dbraw/zinc/08/10/97/988081097.db2.gz KFQYRGMSMDZWOO-IBGZPJMESA-N 1 0 420.435 3.558 20 30 HHEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000470219931 988147635 /nfs/dbraw/zinc/14/76/35/988147635.db2.gz OBXGLLCHXKTKNJ-IIBYNOLFSA-N 1 0 413.905 3.727 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000470343668 988310025 /nfs/dbraw/zinc/31/00/25/988310025.db2.gz HSXYPQFBWFZWIQ-SFHVURJKSA-N 1 0 408.502 3.579 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464613328 988792985 /nfs/dbraw/zinc/79/29/85/988792985.db2.gz XUMSMNVHJJJVFA-SJLPKXTDSA-N 1 0 411.550 3.941 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000470758401 988800379 /nfs/dbraw/zinc/80/03/79/988800379.db2.gz YYDVTLCVOTVCRB-SFTDATJTSA-N 1 0 406.555 3.891 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)c1 ZINC000470780996 988833190 /nfs/dbraw/zinc/83/31/90/988833190.db2.gz WLOQGBPKGXGPMZ-RUZDIDTESA-N 1 0 413.521 3.966 20 30 HHEDRO CCOc1cc(C)ccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464750142 988971207 /nfs/dbraw/zinc/97/12/07/988971207.db2.gz JOQCOWMGWSWVQY-UHFFFAOYSA-N 1 0 406.530 3.683 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC3(C2)CCOCC3)c1C#N ZINC000464824926 989062599 /nfs/dbraw/zinc/06/25/99/989062599.db2.gz BVERUPFGPSGPEB-UHFFFAOYSA-N 1 0 410.493 3.546 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000464826888 989065083 /nfs/dbraw/zinc/06/50/83/989065083.db2.gz GDWPIMGQASKVEN-ZEQRLZLVSA-N 1 0 420.532 3.636 20 30 HHEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 ZINC000471020448 989090900 /nfs/dbraw/zinc/09/09/00/989090900.db2.gz USYFHCKKZHDRSL-OAQYLSRUSA-N 1 0 416.997 3.807 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464849597 989102559 /nfs/dbraw/zinc/10/25/59/989102559.db2.gz NZBSDEWREMMROC-PKOBYXMFSA-N 1 0 422.598 3.889 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1C#N ZINC000464851902 989105113 /nfs/dbraw/zinc/10/51/13/989105113.db2.gz MVWSYLYEGSSGIF-UTKZUKDTSA-N 1 0 410.493 3.544 20 30 HHEDRO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC000464853433 989106283 /nfs/dbraw/zinc/10/62/83/989106283.db2.gz DRQIFMFBHVVYNU-WPTTZPOMSA-N 1 0 412.335 3.725 20 30 HHEDRO CC[NH+]1CCC(NC(=O)CN(Cc2ccc(C#N)cc2)c2ccc(F)cc2C)CC1 ZINC000464870508 989130632 /nfs/dbraw/zinc/13/06/32/989130632.db2.gz BTHFHANIIVALGE-UHFFFAOYSA-N 1 0 408.521 3.613 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471087350 989183306 /nfs/dbraw/zinc/18/33/06/989183306.db2.gz SYICMCNEAODACS-XQBPLPMBSA-N 1 0 424.907 3.842 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Oc3ccccn3)CC1)CCCC2 ZINC000471152423 989266870 /nfs/dbraw/zinc/26/68/70/989266870.db2.gz RGDOHXBCMPDPKW-UHFFFAOYSA-N 1 0 410.543 3.766 20 30 HHEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464970557 989271724 /nfs/dbraw/zinc/27/17/24/989271724.db2.gz GLBYBFSZPUKTAR-LJQANCHMSA-N 1 0 420.557 3.662 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471388432 989568118 /nfs/dbraw/zinc/56/81/18/989568118.db2.gz PETWLINZFMTQGD-ZDXQCDESSA-N 1 0 403.526 3.552 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000465534377 989896507 /nfs/dbraw/zinc/89/65/07/989896507.db2.gz QEEZNQCIRPSEHT-DNQXCXABSA-N 1 0 402.542 3.916 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc2ccc(Br)cc12 ZINC000471888166 990061394 /nfs/dbraw/zinc/06/13/94/990061394.db2.gz YZUISCMIWBECRS-UHFFFAOYSA-N 1 0 408.365 3.900 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H]1c1ccccc1 ZINC000471957430 990122214 /nfs/dbraw/zinc/12/22/14/990122214.db2.gz VFLMFPKFEZXESX-GHTZIAJQSA-N 1 0 420.904 3.964 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000465802301 990184002 /nfs/dbraw/zinc/18/40/02/990184002.db2.gz BOKUEHBGEVAFRP-VXKWHMMOSA-N 1 0 406.530 3.608 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc(OC)c1OC ZINC000465821357 990204391 /nfs/dbraw/zinc/20/43/91/990204391.db2.gz UDSWHGGGDJIHOV-UXHICEINSA-N 1 0 401.551 3.589 20 30 HHEDRO Cc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000466451006 991741519 /nfs/dbraw/zinc/74/15/19/991741519.db2.gz CJWFOCPWTJJXJK-UHFFFAOYSA-N 1 0 416.529 3.770 20 30 HHEDRO C=CCn1c(SCCC[NH+]2CCCCC2)nnc1[C@H]1COc2ccccc2O1 ZINC000466465645 991756382 /nfs/dbraw/zinc/75/63/82/991756382.db2.gz WSQQYMIZCAINNG-LJQANCHMSA-N 1 0 400.548 3.945 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466522586 991816275 /nfs/dbraw/zinc/81/62/75/991816275.db2.gz NLRWJGIAKLTJCP-KNQAVFIVSA-N 1 0 418.541 3.774 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000466602183 991918204 /nfs/dbraw/zinc/91/82/04/991918204.db2.gz VQGGQSOYSCBAFL-QGZVFWFLSA-N 1 0 413.547 3.859 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466611530 991928157 /nfs/dbraw/zinc/92/81/57/991928157.db2.gz VAHUNUGZBRQACW-QUCCMNQESA-N 1 0 407.518 3.939 20 30 HHEDRO CC[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000466622495 991938621 /nfs/dbraw/zinc/93/86/21/991938621.db2.gz YVYZZXDETRFUSY-FQEVSTJZSA-N 1 0 407.518 3.723 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2)C(C)C ZINC000467720710 992973922 /nfs/dbraw/zinc/97/39/22/992973922.db2.gz BWWVUMGXUNRVPU-NRFANRHFSA-N 1 0 413.566 3.599 20 30 HHEDRO Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000472153675 993206650 /nfs/dbraw/zinc/20/66/50/993206650.db2.gz JKCDVSFXSNLOIJ-OAQYLSRUSA-N 1 0 402.498 3.662 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@H]2C[NH+]2CCCC2)c1C#N ZINC000472243577 993271072 /nfs/dbraw/zinc/27/10/72/993271072.db2.gz SCILGGSHIYQMDC-FQEVSTJZSA-N 1 0 423.561 3.507 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000472253195 993279469 /nfs/dbraw/zinc/27/94/69/993279469.db2.gz AYFAAFIPJZLJJI-IRXDYDNUSA-N 1 0 400.548 3.772 20 30 HHEDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000472429814 993430632 /nfs/dbraw/zinc/43/06/32/993430632.db2.gz JYZNPSKUBQFROF-UHFFFAOYSA-N 1 0 402.539 3.742 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000472440169 993443477 /nfs/dbraw/zinc/44/34/77/993443477.db2.gz WNBGAOAHAVPQPP-RTBURBONSA-N 1 0 408.546 3.754 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000472574340 993542408 /nfs/dbraw/zinc/54/24/08/993542408.db2.gz MBDARPDIRRTFEC-AZUAARDMSA-N 1 0 414.431 3.678 20 30 HHEDRO C=CCC[C@H](O)C[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000472593624 993552795 /nfs/dbraw/zinc/55/27/95/993552795.db2.gz YXRFPYCFQILTAI-INIZCTEOSA-N 1 0 402.432 3.622 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472823863 993758839 /nfs/dbraw/zinc/75/88/39/993758839.db2.gz BMLLZPUWGSAREW-NRFANRHFSA-N 1 0 403.526 3.709 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472947937 993878555 /nfs/dbraw/zinc/87/85/55/993878555.db2.gz GKIMZPLODXJDKH-OAHLLOKOSA-N 1 0 412.361 3.983 20 30 HHEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184757 994016044 /nfs/dbraw/zinc/01/60/44/994016044.db2.gz FLNKXXVDEOVSJW-HFMPRLQTSA-N 1 0 404.558 3.822 20 30 HHEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000481189113 994021246 /nfs/dbraw/zinc/02/12/46/994021246.db2.gz JRNTYXNGUROMBB-LVCYWYKZSA-N 1 0 412.578 3.914 20 30 HHEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C ZINC000473288974 994139337 /nfs/dbraw/zinc/13/93/37/994139337.db2.gz WJKYMMUUXUAXBA-UHFFFAOYSA-N 1 0 422.529 3.914 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000473305174 994162832 /nfs/dbraw/zinc/16/28/32/994162832.db2.gz JTWNTBOWJHJZOR-QGZVFWFLSA-N 1 0 406.555 3.804 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccccc1 ZINC000473415907 994267974 /nfs/dbraw/zinc/26/79/74/994267974.db2.gz QXMLBZIDXVCLPA-QHCPKHFHSA-N 1 0 420.557 3.591 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473428505 994279305 /nfs/dbraw/zinc/27/93/05/994279305.db2.gz RNYKYEPASIDJQB-IBGZPJMESA-N 1 0 409.505 3.530 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481589763 994434466 /nfs/dbraw/zinc/43/44/66/994434466.db2.gz VWDUJQCZZNVJRB-SFHVURJKSA-N 1 0 416.562 3.860 20 30 HHEDRO N#Cc1ccc(C2(C(=O)N[C@@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CC2)cc1 ZINC000473593148 994471246 /nfs/dbraw/zinc/47/12/46/994471246.db2.gz QFMMJBYMGYIWKL-HXUWFJFHSA-N 1 0 413.443 3.999 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000481649667 994512471 /nfs/dbraw/zinc/51/24/71/994512471.db2.gz HBAKRVKTXFJFDN-SONWIMMPSA-N 1 0 414.553 3.514 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc(F)c(C#N)c3)CC2)c1 ZINC000481689035 994549090 /nfs/dbraw/zinc/54/90/90/994549090.db2.gz XFSGXAMDAXEADW-UHFFFAOYSA-N 1 0 409.509 3.730 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000481750447 994603752 /nfs/dbraw/zinc/60/37/52/994603752.db2.gz PQLBXBQPHGOAMN-FQEVSTJZSA-N 1 0 416.294 3.817 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000481771206 994622166 /nfs/dbraw/zinc/62/21/66/994622166.db2.gz VVSTUNHUFWLRFJ-AZUAARDMSA-N 1 0 419.294 3.940 20 30 HHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000481995001 994896542 /nfs/dbraw/zinc/89/65/42/994896542.db2.gz VLBSOIDJMPBKBP-UHFFFAOYSA-N 1 0 407.514 3.923 20 30 HHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000473983427 994969854 /nfs/dbraw/zinc/96/98/54/994969854.db2.gz MHDUONVXXMRHNH-NRFANRHFSA-N 1 0 419.525 3.679 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000473988397 994976223 /nfs/dbraw/zinc/97/62/23/994976223.db2.gz UIZZPAZHHIPYMW-IBGZPJMESA-N 1 0 417.513 3.760 20 30 HHEDRO CCN(C(=O)NCCOc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474035585 995025586 /nfs/dbraw/zinc/02/55/86/995025586.db2.gz UKWNEPWNWPZUDH-DENIHFKCSA-N 1 0 406.530 3.804 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)nnc1-c1ccco1 ZINC000482110684 995058255 /nfs/dbraw/zinc/05/82/55/995058255.db2.gz ZYHLRFOSJPWEAJ-IRXDYDNUSA-N 1 0 417.579 3.538 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000474335431 995315732 /nfs/dbraw/zinc/31/57/32/995315732.db2.gz ZCXGOVQMDUPQAB-KRWDZBQOSA-N 1 0 419.875 3.732 20 30 HHEDRO N#Cc1csc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000482543867 995551541 /nfs/dbraw/zinc/55/15/41/995551541.db2.gz MQPKXJLRYFTQGK-UHFFFAOYSA-N 1 0 403.555 3.992 20 30 HHEDRO C=CC[NH+]1CCC(N[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000482632324 995626393 /nfs/dbraw/zinc/62/63/93/995626393.db2.gz FNXFEWYFVJBIMB-AWEZNQCLSA-N 1 0 404.356 3.639 20 30 HHEDRO N#Cc1cc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)ccn1 ZINC000474774651 995702441 /nfs/dbraw/zinc/70/24/41/995702441.db2.gz KRRYSMUJSJUKQQ-UHFFFAOYSA-N 1 0 411.509 3.523 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000474804117 995716322 /nfs/dbraw/zinc/71/63/22/995716322.db2.gz LACBHMDJKDLICR-UHFFFAOYSA-N 1 0 424.520 3.636 20 30 HHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482889229 995819802 /nfs/dbraw/zinc/81/98/02/995819802.db2.gz LIQZPNZFJGSSEY-JZWVFAODSA-N 1 0 407.537 3.561 20 30 HHEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000483003519 995913361 /nfs/dbraw/zinc/91/33/61/995913361.db2.gz HDWDBSIHEDOKOU-HSZRJFAPSA-N 1 0 412.509 3.934 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000483016305 995921216 /nfs/dbraw/zinc/92/12/16/995921216.db2.gz PQZOAJOLFAXPBP-BWKNWUBXSA-N 1 0 416.569 3.576 20 30 HHEDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000483019147 995922971 /nfs/dbraw/zinc/92/29/71/995922971.db2.gz ULIKJMOITCTKER-HSZRJFAPSA-N 1 0 412.534 3.838 20 30 HHEDRO CCN(C(=O)Nc1cc(C#N)ccc1OCCOC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475102510 995923651 /nfs/dbraw/zinc/92/36/51/995923651.db2.gz UEQICOVONJLARS-NRFANRHFSA-N 1 0 422.529 3.712 20 30 HHEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@H]1CCC(C)(C)C1 ZINC000483125073 995990571 /nfs/dbraw/zinc/99/05/71/995990571.db2.gz RETJACVTQOQBTR-ZWKOTPCHSA-N 1 0 412.578 3.867 20 30 HHEDRO COc1cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000483191265 996028636 /nfs/dbraw/zinc/02/86/36/996028636.db2.gz FATUEXPEHZHENY-RUZDIDTESA-N 1 0 422.525 3.916 20 30 HHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000475330152 996073602 /nfs/dbraw/zinc/07/36/02/996073602.db2.gz WFQYUHUHUVURMT-UHFFFAOYSA-N 1 0 402.420 3.709 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000483280829 996078508 /nfs/dbraw/zinc/07/85/08/996078508.db2.gz AQNWQZZRYBKNIY-IPJJNNNSSA-N 1 0 415.484 3.517 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000483288659 996082269 /nfs/dbraw/zinc/08/22/69/996082269.db2.gz HWVYEINDEBXBAQ-NRFANRHFSA-N 1 0 420.548 3.641 20 30 HHEDRO C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000475444942 996144610 /nfs/dbraw/zinc/14/46/10/996144610.db2.gz JLIQCRLNZKXLRA-KRWDZBQOSA-N 1 0 408.521 3.870 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483478366 996206030 /nfs/dbraw/zinc/20/60/30/996206030.db2.gz SZHDQIWDVPYAKW-UCFCWBNQSA-N 1 0 402.542 3.872 20 30 HHEDRO C[N@@H+]1CCC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC[C@H]21 ZINC000483488294 996213072 /nfs/dbraw/zinc/21/30/72/996213072.db2.gz JBFCBNINKDDCFX-QFBILLFUSA-N 1 0 400.592 3.633 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)cc2)c1 ZINC000475626398 996258895 /nfs/dbraw/zinc/25/88/95/996258895.db2.gz WKOAWFIJCADNHF-UHFFFAOYSA-N 1 0 406.486 3.679 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(I)c(C)cc2C)CC1 ZINC000475645909 996274354 /nfs/dbraw/zinc/27/43/54/996274354.db2.gz PBXVBHBMTDUVNR-UHFFFAOYSA-N 1 0 412.315 3.678 20 30 HHEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000475753475 996349918 /nfs/dbraw/zinc/34/99/18/996349918.db2.gz HITBTVVKIUWCKV-UHFFFAOYSA-N 1 0 417.962 3.541 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000475787150 996371337 /nfs/dbraw/zinc/37/13/37/996371337.db2.gz FNBMCEZWLYJWEN-LPHOPBHVSA-N 1 0 417.962 3.885 20 30 HHEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000476011494 996540276 /nfs/dbraw/zinc/54/02/76/996540276.db2.gz MSQDQFCKRPPTAV-SIKLNZKXSA-N 1 0 407.562 3.766 20 30 HHEDRO CCS[C@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000484241705 996654412 /nfs/dbraw/zinc/65/44/12/996654412.db2.gz GHSVKEPWBNYPCF-SFTDATJTSA-N 1 0 400.592 3.840 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000484338561 996713019 /nfs/dbraw/zinc/71/30/19/996713019.db2.gz WHYJBNVLUYYZEQ-SQJMNOBHSA-N 1 0 416.569 3.576 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476426839 996895558 /nfs/dbraw/zinc/89/55/58/996895558.db2.gz GPGSXFPOLTYDCA-JIPZTSHUSA-N 1 0 417.962 3.647 20 30 HHEDRO CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000476469713 996946953 /nfs/dbraw/zinc/94/69/53/996946953.db2.gz HEOPGGGSPQINLA-QTJGBDASSA-N 1 0 410.606 3.870 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000484619647 996953331 /nfs/dbraw/zinc/95/33/31/996953331.db2.gz MCVPUYAVRVZXFH-BHIFYINESA-N 1 0 422.598 3.773 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)C2=O)cc1 ZINC000477064470 997709038 /nfs/dbraw/zinc/70/90/38/997709038.db2.gz KMOVDVFVQRSHPP-AOYPEHQESA-N 1 0 414.553 3.652 20 30 HHEDRO CCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccccc1Cl ZINC000485342065 997761084 /nfs/dbraw/zinc/76/10/84/997761084.db2.gz BOVSMBUERGBOOC-UHFFFAOYSA-N 1 0 402.930 3.787 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000477109987 997763431 /nfs/dbraw/zinc/76/34/31/997763431.db2.gz MHUBKYQVRKUKRH-MRXNPFEDSA-N 1 0 409.983 3.877 20 30 HHEDRO C=CCSc1ccccc1C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000485470113 997916197 /nfs/dbraw/zinc/91/61/97/997916197.db2.gz XGQIHRGLNNKRRO-UHFFFAOYSA-N 1 0 417.619 3.521 20 30 HHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1Oc1ccccc1 ZINC000477492895 998214088 /nfs/dbraw/zinc/21/40/88/998214088.db2.gz KLAKXQWSZCTQAA-CQOQZXRMSA-N 1 0 402.498 3.673 20 30 HHEDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485804858 998273615 /nfs/dbraw/zinc/27/36/15/998273615.db2.gz JLKOXLXWQHMLRV-PKOBYXMFSA-N 1 0 407.283 3.940 20 30 HHEDRO C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)c1ccc(F)c(F)c1 ZINC000477665654 998378644 /nfs/dbraw/zinc/37/86/44/998378644.db2.gz SZQJHXVAACFWTK-HXUWFJFHSA-N 1 0 401.457 3.707 20 30 HHEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000477669135 998381498 /nfs/dbraw/zinc/38/14/98/998381498.db2.gz YNFIHVMSBADUKP-UHFFFAOYSA-N 1 0 417.351 3.854 20 30 HHEDRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1)CC(F)(F)F ZINC000477725114 998453713 /nfs/dbraw/zinc/45/37/13/998453713.db2.gz NQUZTELDGPAMET-ROUUACIJSA-N 1 0 410.484 3.528 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](C)c3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000486249503 998675097 /nfs/dbraw/zinc/67/50/97/998675097.db2.gz JIFXQOQNHASDOY-ZGNKEGEESA-N 1 0 404.514 3.905 20 30 HHEDRO N#Cc1ccc(NC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC000478073622 998749558 /nfs/dbraw/zinc/74/95/58/998749558.db2.gz ZDLJANYYIVRFQC-HXUWFJFHSA-N 1 0 423.948 3.636 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCc3cccc(C)c3)c2)CC1 ZINC000478091169 998756686 /nfs/dbraw/zinc/75/66/86/998756686.db2.gz BHLWRTKJLRFLHO-UHFFFAOYSA-N 1 0 421.541 3.669 20 30 HHEDRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000478275448 998858403 /nfs/dbraw/zinc/85/84/03/998858403.db2.gz QAWVABJAHQYKIL-GOSISDBHSA-N 1 0 400.530 3.669 20 30 HHEDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000478282055 998862558 /nfs/dbraw/zinc/86/25/58/998862558.db2.gz UPFDFIFVKLVMCC-QGZVFWFLSA-N 1 0 404.514 3.944 20 30 HHEDRO COc1ccc(C[C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000478282054 998862721 /nfs/dbraw/zinc/86/27/21/998862721.db2.gz UPFDFIFVKLVMCC-KRWDZBQOSA-N 1 0 404.514 3.944 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(Br)cc3)CCC2)cc1 ZINC000478430151 998953854 /nfs/dbraw/zinc/95/38/54/998953854.db2.gz FPPJIRZSQWSCFB-UHFFFAOYSA-N 1 0 419.344 3.763 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C[C@H](C)O1 ZINC000478791689 999142936 /nfs/dbraw/zinc/14/29/36/999142936.db2.gz CFYYJBURCUXILX-OALUTQOASA-N 1 0 418.541 3.656 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)cc1 ZINC000487382333 999154464 /nfs/dbraw/zinc/15/44/64/999154464.db2.gz ZCLXBAHUHVZILE-UHFFFAOYSA-N 1 0 409.440 3.594 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487888041 999305506 /nfs/dbraw/zinc/30/55/06/999305506.db2.gz SIIIJCMXNJRZPK-OAQYLSRUSA-N 1 0 413.562 3.840 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccccc1Oc1ccccc1C#N ZINC000479180539 999313252 /nfs/dbraw/zinc/31/32/52/999313252.db2.gz AHTGGLUNPZHMLZ-XQFWAAQXSA-N 1 0 405.498 3.674 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)c1ccc(F)cc1 ZINC000487930138 999319233 /nfs/dbraw/zinc/31/92/33/999319233.db2.gz BNXFYMOYWOQALJ-QGZVFWFLSA-N 1 0 405.271 3.884 20 30 HHEDRO CC(C)COc1ccc(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479217629 999330056 /nfs/dbraw/zinc/33/00/56/999330056.db2.gz OTJZAICJOYVJNE-UHFFFAOYSA-N 1 0 405.542 3.938 20 30 HHEDRO N#CC1(NC(=O)CSc2ccc3c(c2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000479220884 999331088 /nfs/dbraw/zinc/33/10/88/999331088.db2.gz SUDNZXPYORFKJE-UHFFFAOYSA-N 1 0 405.567 3.942 20 30 HHEDRO N#CC1(NC(=O)COc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479222671 999331888 /nfs/dbraw/zinc/33/18/88/999331888.db2.gz UZBOLGMOCFTEFF-UHFFFAOYSA-N 1 0 417.431 3.759 20 30 HHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1Br ZINC000487972291 999332640 /nfs/dbraw/zinc/33/26/40/999332640.db2.gz YAZVCKHFXSNBGM-UHFFFAOYSA-N 1 0 414.307 3.502 20 30 HHEDRO N#CC1(NC(=O)CCOc2ccc(F)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479225374 999333543 /nfs/dbraw/zinc/33/35/43/999333543.db2.gz ZCEHCISTQFDECO-UHFFFAOYSA-N 1 0 415.896 3.923 20 30 HHEDRO N#CC1(NC(=O)c2ccc(OCC(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479250956 999346878 /nfs/dbraw/zinc/34/68/78/999346878.db2.gz UURZACWNNKBAJI-UHFFFAOYSA-N 1 0 417.431 3.916 20 30 HHEDRO N#CC1(NC(=O)c2ccc(OC3CCOCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479275473 999360001 /nfs/dbraw/zinc/36/00/01/999360001.db2.gz FUMFUFLOGYXAIJ-UHFFFAOYSA-N 1 0 419.525 3.533 20 30 HHEDRO CC(C)(C)Oc1cccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000479289242 999367230 /nfs/dbraw/zinc/36/72/30/999367230.db2.gz RGKFVAQXTDICCX-UHFFFAOYSA-N 1 0 420.557 3.866 20 30 HHEDRO N#CC1(NC(=O)CCCOCCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479294548 999369963 /nfs/dbraw/zinc/36/99/63/999369963.db2.gz YZBDIHJGTPDEDW-UHFFFAOYSA-N 1 0 405.542 3.700 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000479317682 999382152 /nfs/dbraw/zinc/38/21/52/999382152.db2.gz RWCMHPNWEQBARM-UHFFFAOYSA-N 1 0 406.530 3.767 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000479323860 999385359 /nfs/dbraw/zinc/38/53/59/999385359.db2.gz ZFTDZVVIVCEBTJ-OAQYLSRUSA-N 1 0 411.546 3.697 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000488332722 999444339 /nfs/dbraw/zinc/44/43/39/999444339.db2.gz TWFPCYRZUQWAKJ-IRXDYDNUSA-N 1 0 402.564 3.798 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000479583720 999490270 /nfs/dbraw/zinc/49/02/70/999490270.db2.gz FZHSRNIFMVXJSF-SFHVURJKSA-N 1 0 421.566 3.940 20 30 HHEDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1OCc1ccccc1 ZINC000488465454 999495771 /nfs/dbraw/zinc/49/57/71/999495771.db2.gz SWCCMQNBTIPGEL-DNVJHFABSA-N 1 0 403.526 3.633 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4ncc(C(F)(F)F)cc43)C2=O)cc1 ZINC000488491577 999505816 /nfs/dbraw/zinc/50/58/16/999505816.db2.gz VUKRBQDFSNKZTG-UXHICEINSA-N 1 0 414.431 3.740 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC(C)(C)[NH+]2CCCCC2)nnc1-c1ccco1 ZINC000479831092 999616287 /nfs/dbraw/zinc/61/62/87/999616287.db2.gz QWGWYEJGZJRWQI-UHFFFAOYSA-N 1 0 417.579 3.587 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000479841813 999620763 /nfs/dbraw/zinc/62/07/63/999620763.db2.gz ZKFCSPJQFPUTFN-JOCHJYFZSA-N 1 0 407.514 3.678 20 30 HHEDRO Cn1cc(C[NH2+]CCNc2ccc(-c3ccccc3)nn2)c(-c2ccc(C#N)cc2)n1 ZINC000479994689 999678883 /nfs/dbraw/zinc/67/88/83/999678883.db2.gz WUWLYWJFPMIWFU-UHFFFAOYSA-N 1 0 409.497 3.617 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489113894 999703184 /nfs/dbraw/zinc/70/31/84/999703184.db2.gz IDJDKJVNMFLTKR-APWZRJJASA-N 1 0 401.507 3.543 20 30 HHEDRO N#Cc1c(C#N)c2c(nc1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CCCCCC2 ZINC000480084656 999712950 /nfs/dbraw/zinc/71/29/50/999712950.db2.gz KCYHSGWFWZEIJQ-UXHICEINSA-N 1 0 415.541 3.531 20 30 HHEDRO N#Cc1c(C#N)c(N2CCC(CCC[NH+]3CCOCC3)CC2)nc2c1CCCCCC2 ZINC000480097261 999716478 /nfs/dbraw/zinc/71/64/78/999716478.db2.gz QWWPLMPIJAOYFZ-UHFFFAOYSA-N 1 0 421.589 3.813 20 30 HHEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000480099946 999716835 /nfs/dbraw/zinc/71/68/35/999716835.db2.gz RGHYQAXGOYPAGV-LAUBAEHRSA-N 1 0 417.517 3.569 20 30 HHEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000480361031 999779949 /nfs/dbraw/zinc/77/99/49/999779949.db2.gz CADLQLVRHLGDSS-UHFFFAOYSA-N 1 0 400.914 3.737 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489781349 999837084 /nfs/dbraw/zinc/83/70/84/999837084.db2.gz UJJTVUPSWWZLAN-NRFANRHFSA-N 1 0 422.598 3.655 20 30 HHEDRO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)n2)CC1 ZINC000489965144 999869952 /nfs/dbraw/zinc/86/99/52/999869952.db2.gz FKAFALBLSZYDSR-UHFFFAOYSA-N 1 0 415.497 3.853 20 30 HHEDRO C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000490562241 999977447 /nfs/dbraw/zinc/97/74/47/999977447.db2.gz DTTKVPVDEPHYTH-PMACEKPBSA-N 1 0 421.589 3.670 20 30 HHEDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1OCc1cccc(C#N)c1 ZINC000490653812 999989271 /nfs/dbraw/zinc/98/92/71/999989271.db2.gz RXRZXEXVGIEAOE-YADHBBJMSA-N 1 0 419.525 3.636 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC000490729529 999998151 /nfs/dbraw/zinc/99/81/51/999998151.db2.gz LETPEBIEVTVSBX-HXUWFJFHSA-N 1 0 404.505 3.991 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000490754328 1000001229 /nfs/dbraw/zinc/00/12/29/1000001229.db2.gz CMGJJUGKJKSFTL-FPOVZHCZSA-N 1 0 422.598 3.997 20 30 HHEDRO CCOC(=O)[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)Cc2ccccc21 ZINC000491081153 1000043332 /nfs/dbraw/zinc/04/33/32/1000043332.db2.gz BFFHOJJTYWMRLL-QFIPXVFZSA-N 1 0 400.482 3.621 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](CO)C(C)C)cc1 ZINC000491340958 1000066472 /nfs/dbraw/zinc/06/64/72/1000066472.db2.gz BDHJGYNODSATIM-OAQYLSRUSA-N 1 0 415.921 3.678 20 30 HHEDRO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000492463682 1000128226 /nfs/dbraw/zinc/12/82/26/1000128226.db2.gz QSRVPQHFSYRLKT-MRXNPFEDSA-N 1 0 408.462 3.718 20 30 HHEDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000493080163 1000156759 /nfs/dbraw/zinc/15/67/59/1000156759.db2.gz ONKIOZFRRHEWBW-GOSISDBHSA-N 1 0 421.501 3.753 20 30 HHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000493874756 1000199767 /nfs/dbraw/zinc/19/97/67/1000199767.db2.gz PAICAHYZAMAPKZ-MRXNPFEDSA-N 1 0 415.419 3.878 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000493915916 1000211748 /nfs/dbraw/zinc/21/17/48/1000211748.db2.gz GIPNXQJIKFTSBM-GMAHTHKFSA-N 1 0 413.468 3.948 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000494026796 1000274110 /nfs/dbraw/zinc/27/41/10/1000274110.db2.gz KCLDKAMVBWFEOJ-AHRSYUTCSA-N 1 0 416.591 3.828 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000494079736 1000298604 /nfs/dbraw/zinc/29/86/04/1000298604.db2.gz OXUMYJLYKYAWLO-DNQXCXABSA-N 1 0 403.526 3.586 20 30 HHEDRO CN1C(=O)C[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494272416 1000403543 /nfs/dbraw/zinc/40/35/43/1000403543.db2.gz YUHDMLGZCQCZQI-QUCCMNQESA-N 1 0 408.370 3.897 20 30 HHEDRO CN1C(=O)C[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494272417 1000403650 /nfs/dbraw/zinc/40/36/50/1000403650.db2.gz YUHDMLGZCQCZQI-UYAOXDASSA-N 1 0 408.370 3.897 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1)C(C)C ZINC000504965330 1000476044 /nfs/dbraw/zinc/47/60/44/1000476044.db2.gz LDSCXGZNUGQSPM-UHFFFAOYSA-N 1 0 408.521 3.890 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000494468394 1000508110 /nfs/dbraw/zinc/50/81/10/1000508110.db2.gz BOQBGQBLYFGNOJ-ACRUOGEOSA-N 1 0 413.880 3.966 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494475305 1000512309 /nfs/dbraw/zinc/51/23/09/1000512309.db2.gz SJEVTZCFVLYDPI-BFTJIMHNSA-N 1 0 405.489 3.704 20 30 HHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000494679957 1000600502 /nfs/dbraw/zinc/60/05/02/1000600502.db2.gz LKWKOTBZQYIJSD-JOCHJYFZSA-N 1 0 406.530 3.556 20 30 HHEDRO CC[N@H+](CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)CCC(F)(F)F ZINC000494752062 1000634808 /nfs/dbraw/zinc/63/48/08/1000634808.db2.gz IRUWQUSDJCODFZ-UHFFFAOYSA-N 1 0 404.436 3.877 20 30 HHEDRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000494787051 1000656260 /nfs/dbraw/zinc/65/62/60/1000656260.db2.gz YFUODYLKURIGME-LPHOPBHVSA-N 1 0 410.562 3.619 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000505593845 1000925622 /nfs/dbraw/zinc/92/56/22/1000925622.db2.gz OIFQUBTXIJIKJF-NHCUHLMSSA-N 1 0 413.468 3.584 20 30 HHEDRO C[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505598370 1000927359 /nfs/dbraw/zinc/92/73/59/1000927359.db2.gz YUXZNBFVYCFGFY-AVRDEDQJSA-N 1 0 401.514 3.885 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505671387 1000967053 /nfs/dbraw/zinc/96/70/53/1000967053.db2.gz GMHOWYXVDLJXGT-NRFANRHFSA-N 1 0 405.542 3.724 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505672428 1000967668 /nfs/dbraw/zinc/96/76/68/1000967668.db2.gz JFDHBWOLVDOSFJ-DENIHFKCSA-N 1 0 405.542 3.771 20 30 HHEDRO CS[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000495671539 1001060265 /nfs/dbraw/zinc/06/02/65/1001060265.db2.gz ODTOOUSGBPCLDB-CTNGQTDRSA-N 1 0 411.596 3.968 20 30 HHEDRO O=C(C[N@@H+]1CC[C@H](COc2ccccc2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000505855079 1001063294 /nfs/dbraw/zinc/06/32/94/1001063294.db2.gz BATRSQBIXKNIDT-IBGZPJMESA-N 1 0 416.443 3.574 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000505871232 1001071981 /nfs/dbraw/zinc/07/19/81/1001071981.db2.gz IZONOEAGOHLQEX-QHCPKHFHSA-N 1 0 421.541 3.706 20 30 HHEDRO C=CCc1cc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc(OC)c1O ZINC000505992532 1001148556 /nfs/dbraw/zinc/14/85/56/1001148556.db2.gz NLGDVQLOSQBDEC-LJQANCHMSA-N 1 0 408.477 3.632 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2)CC1 ZINC000506196290 1001271843 /nfs/dbraw/zinc/27/18/43/1001271843.db2.gz XPRMRLQLCCKBLL-XMMPIXPASA-N 1 0 413.562 3.796 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000497357498 1001307328 /nfs/dbraw/zinc/30/73/28/1001307328.db2.gz PMUAMIHCOABOFD-UHFFFAOYSA-N 1 0 417.435 3.746 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000506255129 1001309969 /nfs/dbraw/zinc/30/99/69/1001309969.db2.gz PRAREIHHZZLISB-UHFFFAOYSA-N 1 0 417.962 3.744 20 30 HHEDRO CCC(CC)(CNC(=O)N1CCC(C#N)(COC)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000497467027 1001381420 /nfs/dbraw/zinc/38/14/20/1001381420.db2.gz PSIQILTXEJDQNO-IBGZPJMESA-N 1 0 400.567 3.858 20 30 HHEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)nc1 ZINC000506433627 1001410497 /nfs/dbraw/zinc/41/04/97/1001410497.db2.gz RJQYWXJUOUPPSH-UHFFFAOYSA-N 1 0 405.483 3.912 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000506493632 1001438021 /nfs/dbraw/zinc/43/80/21/1001438021.db2.gz BHLNOFSQYPMGSY-UHFFFAOYSA-N 1 0 409.505 3.766 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000506492586 1001438103 /nfs/dbraw/zinc/43/81/03/1001438103.db2.gz UYLJDXYMXYRUMQ-MRXNPFEDSA-N 1 0 400.498 3.896 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)CC1 ZINC000506694910 1001495921 /nfs/dbraw/zinc/49/59/21/1001495921.db2.gz FQZVAUSPURLJED-UHFFFAOYSA-N 1 0 400.567 3.879 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000506924788 1001596791 /nfs/dbraw/zinc/59/67/91/1001596791.db2.gz ALGBYCJAUDBWGR-SAWYMBPVSA-N 1 0 424.932 3.537 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nnn(-c2cccc3cccnc32)c1C)C(C)C ZINC000498354778 1001791988 /nfs/dbraw/zinc/79/19/88/1001791988.db2.gz NSOCLGOKODTLRC-NRFANRHFSA-N 1 0 418.545 3.552 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498377825 1001808957 /nfs/dbraw/zinc/80/89/57/1001808957.db2.gz ODDIYQWTJWIHTM-LPHOPBHVSA-N 1 0 402.420 3.785 20 30 HHEDRO COc1ccccc1C[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000507219773 1001906937 /nfs/dbraw/zinc/90/69/37/1001906937.db2.gz QLHJWVMHOAZRLJ-KBMIEXCESA-N 1 0 405.542 3.937 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)NC3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000498526746 1001947892 /nfs/dbraw/zinc/94/78/92/1001947892.db2.gz BNCKHBUOGKTQDJ-PKTZIBPZSA-N 1 0 416.525 3.833 20 30 HHEDRO Cc1onc(CC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC000498530468 1001951860 /nfs/dbraw/zinc/95/18/60/1001951860.db2.gz VJAYPHQTQRUXFF-UHFFFAOYSA-N 1 0 409.317 3.685 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507341704 1002010391 /nfs/dbraw/zinc/01/03/91/1002010391.db2.gz QAGURQDGWMDXGX-KNQAVFIVSA-N 1 0 418.541 3.947 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000507382662 1002037745 /nfs/dbraw/zinc/03/77/45/1002037745.db2.gz WXMAXRFKIKXOAX-QZTJIDSGSA-N 1 0 405.608 3.524 20 30 HHEDRO Cc1c([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(C)cc1 ZINC000507396058 1002046951 /nfs/dbraw/zinc/04/69/51/1002046951.db2.gz BFMLIDSBZHFEDC-HTAPYJJXSA-N 1 0 414.513 3.602 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000507451816 1002078781 /nfs/dbraw/zinc/07/87/81/1002078781.db2.gz RNGSNTTVHRCCAZ-QZTJIDSGSA-N 1 0 414.569 3.786 20 30 HHEDRO COc1cc(C[C@@H](CO)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc(OC)c1 ZINC000507612767 1002218411 /nfs/dbraw/zinc/21/84/11/1002218411.db2.gz ILFCYBUEIZLBKA-HUFXOUDFSA-N 1 0 408.542 3.849 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498906220 1002300110 /nfs/dbraw/zinc/30/01/10/1002300110.db2.gz GNSZEUOBKXYBOS-CTNGQTDRSA-N 1 0 411.546 3.913 20 30 HHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)nc1 ZINC000507721920 1002310477 /nfs/dbraw/zinc/31/04/77/1002310477.db2.gz BWSZBHOVXZIFRG-SDVLMSEASA-N 1 0 407.514 3.991 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507768435 1002334930 /nfs/dbraw/zinc/33/49/30/1002334930.db2.gz ALCDCLPBDNQDBM-JOCHJYFZSA-N 1 0 412.505 3.645 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000507794281 1002348473 /nfs/dbraw/zinc/34/84/73/1002348473.db2.gz OSOYFVHMPDGEFD-QGZVFWFLSA-N 1 0 423.395 3.900 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000507861129 1002397375 /nfs/dbraw/zinc/39/73/75/1002397375.db2.gz RDKXGGILZSBVID-DEOSSOPVSA-N 1 0 403.526 3.985 20 30 HHEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccc(OC)cc2)cc1 ZINC000499051260 1002432431 /nfs/dbraw/zinc/43/24/31/1002432431.db2.gz CJTCRYRFOSQIQZ-HSZRJFAPSA-N 1 0 421.541 3.920 20 30 HHEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1OCC(C)C ZINC000499054565 1002436741 /nfs/dbraw/zinc/43/67/41/1002436741.db2.gz RVLHCACSESCAMW-UHFFFAOYSA-N 1 0 409.530 3.806 20 30 HHEDRO CC[NH+]1CCC(N(c2ccccc2OC)S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000508128088 1002658102 /nfs/dbraw/zinc/65/81/02/1002658102.db2.gz MFFOPCBJGJIWSV-UHFFFAOYSA-N 1 0 413.543 3.555 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000499447736 1002835483 /nfs/dbraw/zinc/83/54/83/1002835483.db2.gz MVUKPDMOZDPLFU-UHFFFAOYSA-N 1 0 410.587 3.571 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000508400913 1002889434 /nfs/dbraw/zinc/88/94/34/1002889434.db2.gz HWHOWHXFPCWANI-QFIPXVFZSA-N 1 0 408.546 3.843 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508465762 1002951207 /nfs/dbraw/zinc/95/12/07/1002951207.db2.gz RKVZUUVMIOGSJG-MSOLQXFVSA-N 1 0 401.530 3.911 20 30 HHEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc2c(cc1Br)OCCO2 ZINC000499604968 1002978087 /nfs/dbraw/zinc/97/80/87/1002978087.db2.gz XNSUCYBWLHGQDP-AWEZNQCLSA-N 1 0 409.324 3.971 20 30 HHEDRO C=CCN1CC[C@@H]([NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000499713335 1003063037 /nfs/dbraw/zinc/06/30/37/1003063037.db2.gz XUIXEGXHUFUIPI-RTBURBONSA-N 1 0 400.320 3.504 20 30 HHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508702882 1003139888 /nfs/dbraw/zinc/13/98/88/1003139888.db2.gz ZRORJHZAZPSWNR-UHFFFAOYSA-N 1 0 409.578 3.972 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508793444 1003222167 /nfs/dbraw/zinc/22/21/67/1003222167.db2.gz HUBXHUJDXUVGCB-QGZVFWFLSA-N 1 0 401.580 3.541 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508842438 1003263198 /nfs/dbraw/zinc/26/31/98/1003263198.db2.gz BLZANNBZAWUSIA-MBSDFSHPSA-N 1 0 406.530 3.802 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508843842 1003264530 /nfs/dbraw/zinc/26/45/30/1003264530.db2.gz FRNZBFOVYGSXGX-UHFFFAOYSA-N 1 0 404.562 3.991 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508845947 1003267036 /nfs/dbraw/zinc/26/70/36/1003267036.db2.gz DTDWTJFDJLFFLL-BGYRXZFFSA-N 1 0 424.593 3.550 20 30 HHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC000508853292 1003273188 /nfs/dbraw/zinc/27/31/88/1003273188.db2.gz QNXXFLIQXYWPGV-HYBUGGRVSA-N 1 0 419.573 3.780 20 30 HHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508882385 1003305023 /nfs/dbraw/zinc/30/50/23/1003305023.db2.gz WYZMSJVFAKHBKU-IBGZPJMESA-N 1 0 402.546 3.992 20 30 HHEDRO C=CCn1c(CC2CCCC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508888932 1003317256 /nfs/dbraw/zinc/31/72/56/1003317256.db2.gz QGYVLYWVZTVNIC-KDURUIRLSA-N 1 0 401.599 3.522 20 30 HHEDRO C=CCN1CC[C@@H]([N@@H+](C)CCCC(=O)Nc2c(CC)ccc(Cl)c2CC)C1=O ZINC000500000250 1003318573 /nfs/dbraw/zinc/31/85/73/1003318573.db2.gz XKYGEKZAAGPXSL-LJQANCHMSA-N 1 0 405.970 3.902 20 30 HHEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508897884 1003328607 /nfs/dbraw/zinc/32/86/07/1003328607.db2.gz ZKIRVZKEZYCBQM-UHFFFAOYSA-N 1 0 402.546 3.992 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508909010 1003350096 /nfs/dbraw/zinc/35/00/96/1003350096.db2.gz XHTSQEPRRBNGNU-QZTJIDSGSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000508909044 1003350286 /nfs/dbraw/zinc/35/02/86/1003350286.db2.gz XMUSRDYOWLKIHI-JOCHJYFZSA-N 1 0 421.589 3.993 20 30 HHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508911566 1003351414 /nfs/dbraw/zinc/35/14/14/1003351414.db2.gz BESMGQRMIBMUKV-LJQANCHMSA-N 1 0 418.545 3.726 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508936049 1003382511 /nfs/dbraw/zinc/38/25/11/1003382511.db2.gz QJOPHAIBUVILTC-UHFFFAOYSA-N 1 0 404.562 3.922 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508944824 1003398110 /nfs/dbraw/zinc/39/81/10/1003398110.db2.gz HDQYCURJVIJEQB-UHFFFAOYSA-N 1 0 402.340 3.568 20 30 HHEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000500060154 1003403071 /nfs/dbraw/zinc/40/30/71/1003403071.db2.gz BWGMTQOBBBBMQW-UHFFFAOYSA-N 1 0 416.566 3.948 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000508954128 1003411682 /nfs/dbraw/zinc/41/16/82/1003411682.db2.gz WWIAUBLHMMOYSK-HSZRJFAPSA-N 1 0 416.573 3.941 20 30 HHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508995253 1003466506 /nfs/dbraw/zinc/46/65/06/1003466506.db2.gz BMONZNGSTVTICM-SIKLNZKXSA-N 1 0 407.562 3.539 20 30 HHEDRO CSc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000500251095 1003582156 /nfs/dbraw/zinc/58/21/56/1003582156.db2.gz MZDHGHBJJSORAS-LPHOPBHVSA-N 1 0 414.600 3.530 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)CC(C)C ZINC000509296620 1003690899 /nfs/dbraw/zinc/69/08/99/1003690899.db2.gz NEUJIUNDIRVIGV-HXUWFJFHSA-N 1 0 400.567 3.868 20 30 HHEDRO Cc1cc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)nn1-c1cccc(C#N)c1 ZINC000509337073 1003715036 /nfs/dbraw/zinc/71/50/36/1003715036.db2.gz ZEGDWHHFFVTYLG-UHFFFAOYSA-N 1 0 414.513 3.811 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(I)c(Cl)c3)n2c1 ZINC000500447681 1003724933 /nfs/dbraw/zinc/72/49/33/1003724933.db2.gz RVSORJLREXMYHN-UHFFFAOYSA-N 1 0 422.657 3.754 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000509375172 1003802097 /nfs/dbraw/zinc/80/20/97/1003802097.db2.gz XBAQIHBUWODNQC-XMMPIXPASA-N 1 0 418.541 3.948 20 30 HHEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000509382280 1003811698 /nfs/dbraw/zinc/81/16/98/1003811698.db2.gz HIZYYMHNFGNGBV-OAQYLSRUSA-N 1 0 424.545 3.800 20 30 HHEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2C1=O ZINC000500779026 1003950979 /nfs/dbraw/zinc/95/09/79/1003950979.db2.gz YDHJCSFIHPHZRD-QGZVFWFLSA-N 1 0 417.509 3.953 20 30 HHEDRO CCC[N@H+](C)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000509616468 1003983449 /nfs/dbraw/zinc/98/34/49/1003983449.db2.gz ILELMMZKJOUUCK-HXUWFJFHSA-N 1 0 423.941 3.853 20 30 HHEDRO N#Cc1cc(S(=O)(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)ccc1Cl ZINC000509680283 1004025460 /nfs/dbraw/zinc/02/54/60/1004025460.db2.gz GGHALDKZYPRMQF-UHFFFAOYSA-N 1 0 417.962 3.541 20 30 HHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CCCC1)c1ccccc1 ZINC000500954804 1004075856 /nfs/dbraw/zinc/07/58/56/1004075856.db2.gz PMJAHZFYEIAKAW-QGZVFWFLSA-N 1 0 415.534 3.780 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000512189134 1004090881 /nfs/dbraw/zinc/09/08/81/1004090881.db2.gz HTKSJBYQFLAVFL-UPVQGACJSA-N 1 0 405.517 3.873 20 30 HHEDRO N#Cc1ccc(OC2CCC(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC000509948256 1004226213 /nfs/dbraw/zinc/22/62/13/1004226213.db2.gz ZCNHXLGRTAILGD-UHFFFAOYSA-N 1 0 418.541 3.672 20 30 HHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000510195577 1004389213 /nfs/dbraw/zinc/38/92/13/1004389213.db2.gz GAEFTBCFKPZRLU-UHFFFAOYSA-N 1 0 423.536 3.571 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000512627411 1004440492 /nfs/dbraw/zinc/44/04/92/1004440492.db2.gz FUFMSXWBGBRQKD-UHFFFAOYSA-N 1 0 403.461 3.734 20 30 HHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000512637012 1004449299 /nfs/dbraw/zinc/44/92/99/1004449299.db2.gz QPMDPWVWCVOLGY-INIZCTEOSA-N 1 0 415.534 3.811 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000501494398 1004465031 /nfs/dbraw/zinc/46/50/31/1004465031.db2.gz JCFWNWOYMAAFEU-OAHLLOKOSA-N 1 0 412.437 3.985 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc(OC)c1O ZINC000512671831 1004481503 /nfs/dbraw/zinc/48/15/03/1004481503.db2.gz CXRRRMRAUQAXQJ-UHFFFAOYSA-N 1 0 424.541 3.666 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](n3ncc4ccccc43)C1)CCC2 ZINC000510400600 1004538224 /nfs/dbraw/zinc/53/82/24/1004538224.db2.gz VGGYOAXZMOGIKW-INIZCTEOSA-N 1 0 405.527 3.734 20 30 HHEDRO C[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501590543 1004538411 /nfs/dbraw/zinc/53/84/11/1004538411.db2.gz GEBMYSPECRIHMF-UXHICEINSA-N 1 0 418.541 3.788 20 30 HHEDRO N#Cc1ncn(CC[NH2+]Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)n1 ZINC000512896204 1004663065 /nfs/dbraw/zinc/66/30/65/1004663065.db2.gz SZQJZNPGHIUONG-UHFFFAOYSA-N 1 0 417.904 3.505 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000510535189 1004667876 /nfs/dbraw/zinc/66/78/76/1004667876.db2.gz UDINJSQLEIMTMF-NRFANRHFSA-N 1 0 408.502 3.924 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)c(F)c1 ZINC000512929963 1004703343 /nfs/dbraw/zinc/70/33/43/1004703343.db2.gz KUQRBHGCUGHBIN-QFIPXVFZSA-N 1 0 420.532 3.695 20 30 HHEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc(OC)c1O ZINC000513002082 1004753587 /nfs/dbraw/zinc/75/35/87/1004753587.db2.gz SIZQAUJCKGDUPI-UHFFFAOYSA-N 1 0 403.910 3.505 20 30 HHEDRO CCn1ccnc1[C@@H]([NH2+]CCCCC#N)c1ccc(I)cc1 ZINC000501960616 1004831855 /nfs/dbraw/zinc/83/18/55/1004831855.db2.gz XHJZPUFSOFEEJP-INIZCTEOSA-N 1 0 408.287 3.880 20 30 HHEDRO COc1cc(C[NH+]2CCC(Cn3ccnn3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000510771359 1004843546 /nfs/dbraw/zinc/84/35/46/1004843546.db2.gz VLHZMBBMRMPVCT-UHFFFAOYSA-N 1 0 417.513 3.650 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000502106866 1004905871 /nfs/dbraw/zinc/90/58/71/1004905871.db2.gz DZEJOGDHRJHVRK-KRWDZBQOSA-N 1 0 402.514 3.515 20 30 HHEDRO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000502199723 1004953901 /nfs/dbraw/zinc/95/39/01/1004953901.db2.gz WRIJZHBFIWQHCQ-OALUTQOASA-N 1 0 418.541 3.517 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000513471471 1004980523 /nfs/dbraw/zinc/98/05/23/1004980523.db2.gz MQUWGBMVYOLTRQ-UHFFFAOYSA-N 1 0 410.568 3.876 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)C2)n1 ZINC000502270889 1004987132 /nfs/dbraw/zinc/98/71/32/1004987132.db2.gz DDRFHVHWZCYKDA-UVKLAMSESA-N 1 0 423.605 3.637 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000511049909 1004997264 /nfs/dbraw/zinc/99/72/64/1004997264.db2.gz RVSPYHMDYOHDMF-SMCIBBBJSA-N 1 0 403.526 3.660 20 30 HHEDRO Cn1nccc1[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000511119680 1005028122 /nfs/dbraw/zinc/02/81/22/1005028122.db2.gz IXPOHLYOVFIPMF-INIZCTEOSA-N 1 0 411.575 3.830 20 30 HHEDRO C=CC1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c2)CC1 ZINC000511143690 1005042848 /nfs/dbraw/zinc/04/28/48/1005042848.db2.gz ZVDLPRJQCNLVKY-UHFFFAOYSA-N 1 0 406.958 3.842 20 30 HHEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccco1 ZINC000513697414 1005086578 /nfs/dbraw/zinc/08/65/78/1005086578.db2.gz NIUDAACYBMOKJS-QUCCMNQESA-N 1 0 404.532 3.534 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)CC1CCOCC1 ZINC000502506939 1005095591 /nfs/dbraw/zinc/09/55/91/1005095591.db2.gz LVRAHZMCCMWDON-UHFFFAOYSA-N 1 0 406.530 3.525 20 30 HHEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)[C@H]2C1 ZINC000502539974 1005109517 /nfs/dbraw/zinc/10/95/17/1005109517.db2.gz VBTXWBFKBIPNKP-FCHUYYIVSA-N 1 0 421.566 3.786 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CCCC2)CC1 ZINC000502573574 1005124721 /nfs/dbraw/zinc/12/47/21/1005124721.db2.gz FIERAVSMSWJKDC-QFIPXVFZSA-N 1 0 413.562 3.501 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000513790528 1005128784 /nfs/dbraw/zinc/12/87/84/1005128784.db2.gz ZFWDJVSUJLZSFY-OALUTQOASA-N 1 0 400.906 3.742 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000511373318 1005144964 /nfs/dbraw/zinc/14/49/64/1005144964.db2.gz XHDMBYUAEVYKGD-VWNXMTODSA-N 1 0 420.557 3.799 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[NH+](C4CCC4)CC3)c2)c1 ZINC000502654702 1005163103 /nfs/dbraw/zinc/16/31/03/1005163103.db2.gz XRXCYIUOWFGHSK-UHFFFAOYSA-N 1 0 403.486 3.513 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)c1 ZINC000511515689 1005207848 /nfs/dbraw/zinc/20/78/48/1005207848.db2.gz RGTYYIHTAHERSN-QFIPXVFZSA-N 1 0 417.513 3.903 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000511539965 1005216156 /nfs/dbraw/zinc/21/61/56/1005216156.db2.gz NGEHPEBTVXXHMJ-UHFFFAOYSA-N 1 0 417.513 3.806 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 ZINC000511543703 1005217623 /nfs/dbraw/zinc/21/76/23/1005217623.db2.gz VFMSJYUOAXARCJ-YLJYHZDGSA-N 1 0 406.404 3.937 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](c3ccccc3Cl)N3CCOCC3)CC2)cc1 ZINC000514085403 1005259056 /nfs/dbraw/zinc/25/90/56/1005259056.db2.gz VLJOHDLRCOPMFR-DEOSSOPVSA-N 1 0 424.976 3.844 20 30 HHEDRO C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000511685894 1005276120 /nfs/dbraw/zinc/27/61/20/1005276120.db2.gz IXOJMHRXSZAEIA-WMZOPIPTSA-N 1 0 424.932 3.567 20 30 HHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000514127365 1005279022 /nfs/dbraw/zinc/27/90/22/1005279022.db2.gz UBRNCDNKMMGDQU-WOJBJXKFSA-N 1 0 422.367 3.565 20 30 HHEDRO CC(C)(C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)c1cc(F)cc(C#N)c1 ZINC000511695437 1005280441 /nfs/dbraw/zinc/28/04/41/1005280441.db2.gz NEPURBQLQQDOMD-UHFFFAOYSA-N 1 0 415.553 3.905 20 30 HHEDRO C[C@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000511717686 1005290750 /nfs/dbraw/zinc/29/07/50/1005290750.db2.gz ZDZCLHHSOYJHJB-LPHOPBHVSA-N 1 0 424.932 3.567 20 30 HHEDRO CCC[NH+](CCC)CCCC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000502970452 1005297326 /nfs/dbraw/zinc/29/73/26/1005297326.db2.gz PJYVZVKXWMUMJJ-UHFFFAOYSA-N 1 0 407.562 3.657 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511805267 1005337508 /nfs/dbraw/zinc/33/75/08/1005337508.db2.gz GHSDQYXOVOSCRK-QHCPKHFHSA-N 1 0 421.589 3.763 20 30 HHEDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000503354999 1005396501 /nfs/dbraw/zinc/39/65/01/1005396501.db2.gz HEYGRODZPTZSGP-WZONZLPQSA-N 1 0 413.525 3.693 20 30 HHEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000503400244 1005408838 /nfs/dbraw/zinc/40/88/38/1005408838.db2.gz XRGHLAFZLAVTIZ-UHFFFAOYSA-N 1 0 421.467 3.789 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCCC23CCOCC3)c1C#N ZINC000503411439 1005412178 /nfs/dbraw/zinc/41/21/78/1005412178.db2.gz FOMPFXCDBSHXPQ-JOCHJYFZSA-N 1 0 420.557 3.902 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503414620 1005413276 /nfs/dbraw/zinc/41/32/76/1005413276.db2.gz YFALXWQMRKJJPR-QFKVYABISA-N 1 0 411.594 3.718 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503416050 1005413844 /nfs/dbraw/zinc/41/38/44/1005413844.db2.gz PDDLBWLEZFNUDN-VQTJNVASSA-N 1 0 405.546 3.734 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503699472 1005482827 /nfs/dbraw/zinc/48/28/27/1005482827.db2.gz DTXYVHUKJWNLBE-HXUWFJFHSA-N 1 0 419.573 3.515 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](Cn3ccccc3=O)c3ccccc3)CC2)cc1 ZINC000503938202 1005515758 /nfs/dbraw/zinc/51/57/58/1005515758.db2.gz SFBZLODNBZIPRO-RUZDIDTESA-N 1 0 412.537 3.715 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000504021425 1005534300 /nfs/dbraw/zinc/53/43/00/1005534300.db2.gz MDVZTKFAHDQZKO-SFHVURJKSA-N 1 0 411.571 3.834 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000504034016 1005537403 /nfs/dbraw/zinc/53/74/03/1005537403.db2.gz GSNIEOYYLRLVJL-UHFFFAOYSA-N 1 0 405.542 3.833 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[NH+](C)C)c1 ZINC000504062240 1005543692 /nfs/dbraw/zinc/54/36/92/1005543692.db2.gz KYGLELMQWUMGBX-HSZRJFAPSA-N 1 0 404.514 3.668 20 30 HHEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000531114869 1006002027 /nfs/dbraw/zinc/00/20/27/1006002027.db2.gz BMTHXQJMPLRGBK-PKOBYXMFSA-N 1 0 418.419 3.573 20 30 HHEDRO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534099135 1006071563 /nfs/dbraw/zinc/07/15/63/1006071563.db2.gz GWAKXHXSFRZAEO-NSHDSACASA-N 1 0 419.411 3.558 20 30 HHEDRO C=CC[N@@H+](CCCc1nc(-c2ccccc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000531346132 1006138429 /nfs/dbraw/zinc/13/84/29/1006138429.db2.gz SEDYZJSFMYYCSD-GOSISDBHSA-N 1 0 415.501 3.894 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1C#N ZINC000515168908 1006322993 /nfs/dbraw/zinc/32/29/93/1006322993.db2.gz JETIJGWIJOXFTN-PGRDOPGGSA-N 1 0 423.536 3.602 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000534410328 1006385975 /nfs/dbraw/zinc/38/59/75/1006385975.db2.gz FALOANSFHJZECP-QFIPXVFZSA-N 1 0 419.573 3.885 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000515444275 1006466795 /nfs/dbraw/zinc/46/67/95/1006466795.db2.gz VKXLMJANFBYQSX-IYBDPMFKSA-N 1 0 412.921 3.871 20 30 HHEDRO Cc1cc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000515511319 1006506705 /nfs/dbraw/zinc/50/67/05/1006506705.db2.gz BKGSWQBIGMLYMJ-IBGZPJMESA-N 1 0 422.447 3.988 20 30 HHEDRO CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)N(CCC#N)CCC[NH+](C)C)OCC3 ZINC000534639685 1006618593 /nfs/dbraw/zinc/61/85/93/1006618593.db2.gz JEZHHWZHWSFYOT-RUZDIDTESA-N 1 0 424.589 3.992 20 30 HHEDRO CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000538373035 1006643704 /nfs/dbraw/zinc/64/37/04/1006643704.db2.gz VKCPBHWLIDSFPE-VGOFRKELSA-N 1 0 412.509 3.547 20 30 HHEDRO COc1cc(CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000538375419 1006646382 /nfs/dbraw/zinc/64/63/82/1006646382.db2.gz HRYNUTWCFZCHMG-NZQKXSOJSA-N 1 0 411.571 3.623 20 30 HHEDRO CCC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538388856 1006658205 /nfs/dbraw/zinc/65/82/05/1006658205.db2.gz HYIMZUQWPVDNHW-XZOQPEGZSA-N 1 0 408.521 3.666 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000538396085 1006665193 /nfs/dbraw/zinc/66/51/93/1006665193.db2.gz PJULVPSPNYSBMW-UHFFFAOYSA-N 1 0 403.505 3.680 20 30 HHEDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000538509908 1006775148 /nfs/dbraw/zinc/77/51/48/1006775148.db2.gz ZSHFBAOILMWVMB-ZDUSSCGKSA-N 1 0 404.283 3.931 20 30 HHEDRO COc1cccc(CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]2CCCO2)c1 ZINC000532483728 1006922731 /nfs/dbraw/zinc/92/27/31/1006922731.db2.gz SGQRCQJXZRBKRA-HXUWFJFHSA-N 1 0 413.905 3.840 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000538663408 1006940206 /nfs/dbraw/zinc/94/02/06/1006940206.db2.gz YKPCZTCNMPUUJP-NRFANRHFSA-N 1 0 417.513 3.952 20 30 HHEDRO N#CC1(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000538693903 1006972208 /nfs/dbraw/zinc/97/22/08/1006972208.db2.gz QUVPFVHOOYIMLS-UHFFFAOYSA-N 1 0 409.440 3.789 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516277063 1006991654 /nfs/dbraw/zinc/99/16/54/1006991654.db2.gz BZQKKKYWOLLDPX-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 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Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1C#N ZINC000533414306 1007721458 /nfs/dbraw/zinc/72/14/58/1007721458.db2.gz LYOPTXTXBSVUTF-HXUWFJFHSA-N 1 0 423.561 3.507 20 30 HHEDRO C=CCCC[N@@H+](C)Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000533439225 1007755055 /nfs/dbraw/zinc/75/50/55/1007755055.db2.gz IWODUUUGZCDRTL-UHFFFAOYSA-N 1 0 404.580 3.629 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+]C2(c3ccccc3)CCCC2)CC1 ZINC000539489915 1007800741 /nfs/dbraw/zinc/80/07/41/1007800741.db2.gz ALNKZURUUWOZDO-FQEVSTJZSA-N 1 0 408.571 3.516 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000539507204 1007816791 /nfs/dbraw/zinc/81/67/91/1007816791.db2.gz FJKHCPYRFPBBHS-UHFFFAOYSA-N 1 0 403.555 3.873 20 30 HHEDRO C[C@@H]([NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1cccc(C#N)c1 ZINC000539509595 1007818532 /nfs/dbraw/zinc/81/85/32/1007818532.db2.gz XMVLJDUISVEGLG-MRXNPFEDSA-N 1 0 401.507 3.591 20 30 HHEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000533600662 1007899757 /nfs/dbraw/zinc/89/97/57/1007899757.db2.gz BSFOYESGBLTZCL-UHFFFAOYSA-N 1 0 406.530 3.694 20 30 HHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000539609966 1007926823 /nfs/dbraw/zinc/92/68/23/1007926823.db2.gz VLBPCCJOXOMQNY-MRXNPFEDSA-N 1 0 415.534 3.811 20 30 HHEDRO COC(=O)c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000535962373 1007999196 /nfs/dbraw/zinc/99/91/96/1007999196.db2.gz DYMSUECSQFAPFA-XUZZJYLKSA-N 1 0 403.526 3.831 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000536034925 1008068106 /nfs/dbraw/zinc/06/81/06/1008068106.db2.gz HAEFVOVDKSQEKW-RXVVDRJESA-N 1 0 407.514 3.544 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc32)CC1 ZINC000517982621 1008085795 /nfs/dbraw/zinc/08/57/95/1008085795.db2.gz VSHHALOANXNFKH-UHFFFAOYSA-N 1 0 404.352 3.938 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000517982454 1008086118 /nfs/dbraw/zinc/08/61/18/1008086118.db2.gz QXWSRUKDOUVKPU-UHFFFAOYSA-N 1 0 405.546 3.851 20 30 HHEDRO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000536068016 1008096025 /nfs/dbraw/zinc/09/60/25/1008096025.db2.gz MVUBFHPDMOIEDF-QGZVFWFLSA-N 1 0 405.527 3.755 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000518016439 1008105179 /nfs/dbraw/zinc/10/51/79/1008105179.db2.gz KYPUXUNUMVDPKN-UHFFFAOYSA-N 1 0 410.493 3.528 20 30 HHEDRO N#CC1(c2ccccc2)CCC(Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000539932191 1008191306 /nfs/dbraw/zinc/19/13/06/1008191306.db2.gz QXKQRTDIJMZVDN-LUQTXGNESA-N 1 0 402.542 3.952 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000539944963 1008198383 /nfs/dbraw/zinc/19/83/83/1008198383.db2.gz NMYLPIWCIBBKBZ-UHFFFAOYSA-N 1 0 407.514 3.718 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1OC ZINC000518270157 1008234491 /nfs/dbraw/zinc/23/44/91/1008234491.db2.gz XUDAFEUWCLKNKQ-INIZCTEOSA-N 1 0 418.335 3.768 20 30 HHEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(N2CCCS2(=O)=O)c1 ZINC000540175419 1008323162 /nfs/dbraw/zinc/32/31/62/1008323162.db2.gz HZMYFMYIVCAEPI-KRWDZBQOSA-N 1 0 415.584 3.682 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000540179084 1008324899 /nfs/dbraw/zinc/32/48/99/1008324899.db2.gz MLIIFTFIEXQJGS-YLZJTPGZSA-N 1 0 413.543 3.971 20 30 HHEDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@H](C)O1 ZINC000518551832 1008345703 /nfs/dbraw/zinc/34/57/03/1008345703.db2.gz WVOOPNWBVNSJOX-IRXDYDNUSA-N 1 0 411.477 3.719 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC000540233648 1008346729 /nfs/dbraw/zinc/34/67/29/1008346729.db2.gz VOOBEHRSBYDOFI-UHFFFAOYSA-N 1 0 402.322 3.791 20 30 HHEDRO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000540270504 1008362529 /nfs/dbraw/zinc/36/25/29/1008362529.db2.gz BGQMTDLMTGWMEC-RTBURBONSA-N 1 0 406.530 3.524 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1)CC(C)C ZINC000540287340 1008368315 /nfs/dbraw/zinc/36/83/15/1008368315.db2.gz XRBYOSOEXCZXMV-UHFFFAOYSA-N 1 0 418.969 3.757 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1OCc1ccncc1 ZINC000540350984 1008393322 /nfs/dbraw/zinc/39/33/22/1008393322.db2.gz GCQFVSGHHRYNEI-GOSISDBHSA-N 1 0 422.529 3.662 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(-n2cccn2)c1 ZINC000540387155 1008411311 /nfs/dbraw/zinc/41/13/11/1008411311.db2.gz PALCBZVURGVFGX-MSOLQXFVSA-N 1 0 405.477 3.997 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518837462 1008439926 /nfs/dbraw/zinc/43/99/26/1008439926.db2.gz VKRVZIYWXSEIIP-QUCCMNQESA-N 1 0 415.557 3.620 20 30 HHEDRO CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000540501241 1008457733 /nfs/dbraw/zinc/45/77/33/1008457733.db2.gz RDNWTKRSYWLPMD-FDDCHVKYSA-N 1 0 424.520 3.691 20 30 HHEDRO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC[C@@H]1c1ccccc1 ZINC000540553797 1008478873 /nfs/dbraw/zinc/47/88/73/1008478873.db2.gz MEHWJGVGZDMRME-HJNYFJLDSA-N 1 0 422.598 3.583 20 30 HHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000548948364 1008534051 /nfs/dbraw/zinc/53/40/51/1008534051.db2.gz QSXJKDWZBMIJBJ-QFIPXVFZSA-N 1 0 414.642 3.582 20 30 HHEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548951597 1008536664 /nfs/dbraw/zinc/53/66/64/1008536664.db2.gz VWKUVBSDPAZVPJ-UHFFFAOYSA-N 1 0 413.566 3.608 20 30 HHEDRO COC(=O)[C@H](C)Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000545432005 1008543733 /nfs/dbraw/zinc/54/37/33/1008543733.db2.gz SDVQWZRJSNHQNO-GOSISDBHSA-N 1 0 422.529 3.506 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549036339 1008604340 /nfs/dbraw/zinc/60/43/40/1008604340.db2.gz RBIQVPRFXDJDNL-HBMCJLEFSA-N 1 0 414.912 3.691 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549116363 1008682823 /nfs/dbraw/zinc/68/28/23/1008682823.db2.gz NBLWHSWXWQMPTJ-TZIWHRDSSA-N 1 0 400.885 3.714 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549116266 1008683223 /nfs/dbraw/zinc/68/32/23/1008683223.db2.gz MSEIHVGHEPRPBG-APWZRJJASA-N 1 0 422.476 3.791 20 30 HHEDRO N#Cc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2Cc2ccccc2)cc1 ZINC000549124378 1008693239 /nfs/dbraw/zinc/69/32/39/1008693239.db2.gz AQVHEKHJXHTVQI-HSZRJFAPSA-N 1 0 412.541 3.930 20 30 HHEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 ZINC000549156895 1008726781 /nfs/dbraw/zinc/72/67/81/1008726781.db2.gz KZNKHLKFYZCUIB-UHFFFAOYSA-N 1 0 400.530 3.832 20 30 HHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000549165308 1008736616 /nfs/dbraw/zinc/73/66/16/1008736616.db2.gz KGEYBDAOYLEFKP-XXBNENTESA-N 1 0 422.960 3.685 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000519440314 1008817488 /nfs/dbraw/zinc/81/74/88/1008817488.db2.gz BABYXKGAVDNHPS-FQEVSTJZSA-N 1 0 422.554 3.584 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000549292438 1008864697 /nfs/dbraw/zinc/86/46/97/1008864697.db2.gz RPMBOIZXYXSTFS-FGZHOGPDSA-N 1 0 409.578 3.849 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000519504201 1008875606 /nfs/dbraw/zinc/87/56/06/1008875606.db2.gz DASFYWCITXCJNT-SFHVURJKSA-N 1 0 420.513 3.779 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549301596 1008877456 /nfs/dbraw/zinc/87/74/56/1008877456.db2.gz GABKGJLGUSAUQI-UHFFFAOYSA-N 1 0 409.578 3.908 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549302165 1008877690 /nfs/dbraw/zinc/87/76/90/1008877690.db2.gz MGEGJADRIWZEFZ-OAQYLSRUSA-N 1 0 402.546 3.875 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)C(C)C ZINC000519505728 1008878133 /nfs/dbraw/zinc/87/81/33/1008878133.db2.gz VYJBCLKGVFFEQD-JOCHJYFZSA-N 1 0 418.626 3.556 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000519567194 1008910657 /nfs/dbraw/zinc/91/06/57/1008910657.db2.gz HNKYBSVFRJYCQT-MAUKXSAKSA-N 1 0 403.958 3.960 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000549400397 1008984922 /nfs/dbraw/zinc/98/49/22/1008984922.db2.gz RBVOGRVWFSRTIN-UHFFFAOYSA-N 1 0 400.530 3.937 20 30 HHEDRO C[C@@](O)(C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1)C(F)(F)F ZINC000545951795 1009015567 /nfs/dbraw/zinc/01/55/67/1009015567.db2.gz IJHPODWBFCNMDB-HXUWFJFHSA-N 1 0 406.452 3.989 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000543440115 1009027291 /nfs/dbraw/zinc/02/72/91/1009027291.db2.gz SAWDFCKAPIKELZ-HNNXBMFYSA-N 1 0 402.564 3.981 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000519879906 1009047661 /nfs/dbraw/zinc/04/76/61/1009047661.db2.gz QVNNROLNYNXUBL-UHFFFAOYSA-N 1 0 422.529 4.000 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000543461425 1009048688 /nfs/dbraw/zinc/04/86/88/1009048688.db2.gz FGFLPDLNDJSYPV-JTQLQIEISA-N 1 0 413.469 3.902 20 30 HHEDRO CC(C)C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cccs1 ZINC000543487192 1009076312 /nfs/dbraw/zinc/07/63/12/1009076312.db2.gz YDOMZBVBSNWMGO-ROUUACIJSA-N 1 0 416.616 3.895 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCc2ccccc2)c1 ZINC000549481317 1009081069 /nfs/dbraw/zinc/08/10/69/1009081069.db2.gz HFMKLOBIUIQIHN-UHFFFAOYSA-N 1 0 412.541 3.591 20 30 HHEDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000519990595 1009140589 /nfs/dbraw/zinc/14/05/89/1009140589.db2.gz MGJDEJHRPQHPFV-CYBMUJFWSA-N 1 0 404.565 3.554 20 30 HHEDRO C=CCCO[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000520018849 1009173612 /nfs/dbraw/zinc/17/36/12/1009173612.db2.gz FJCWGBNQCGMIMA-OAQYLSRUSA-N 1 0 407.558 3.606 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(-n2cccn2)c1 ZINC000546152275 1009183090 /nfs/dbraw/zinc/18/30/90/1009183090.db2.gz KJYJUSHJEZLOED-UHFFFAOYSA-N 1 0 408.575 3.971 20 30 HHEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2Cc2cccs2)cc1 ZINC000549574307 1009198042 /nfs/dbraw/zinc/19/80/42/1009198042.db2.gz XSXFTODJJABTDO-UHFFFAOYSA-N 1 0 404.543 3.601 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549678993 1009309871 /nfs/dbraw/zinc/30/98/71/1009309871.db2.gz PHWYHOYQCBHYLP-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000549691200 1009321307 /nfs/dbraw/zinc/32/13/07/1009321307.db2.gz YRXOPIYQTWOFPX-RBBKRZOGSA-N 1 0 409.578 3.555 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)CC3)n2)c(F)c1 ZINC000543889701 1009468142 /nfs/dbraw/zinc/46/81/42/1009468142.db2.gz DOWLLOWATIMANM-UHFFFAOYSA-N 1 0 418.476 3.623 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000543903404 1009487622 /nfs/dbraw/zinc/48/76/22/1009487622.db2.gz VXJYSGWSAHGEMG-SFHVURJKSA-N 1 0 406.530 3.696 20 30 HHEDRO Cc1nc(SCC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C#N)c(C)c1C ZINC000520354739 1009491565 /nfs/dbraw/zinc/49/15/65/1009491565.db2.gz YQECAWSLADSOKQ-HOTGVXAUSA-N 1 0 402.608 3.845 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000543909951 1009495739 /nfs/dbraw/zinc/49/57/39/1009495739.db2.gz FWGKYGMAGMUNDN-HXUWFJFHSA-N 1 0 412.578 3.682 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000520437320 1009551811 /nfs/dbraw/zinc/55/18/11/1009551811.db2.gz RNNXYOFSYGTSJX-NZQKXSOJSA-N 1 0 417.557 3.615 20 30 HHEDRO CN(C(=O)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C1(C#N)CCCCC1 ZINC000550032744 1009628496 /nfs/dbraw/zinc/62/84/96/1009628496.db2.gz VMXOPPVFZMPQIB-UHFFFAOYSA-N 1 0 421.944 3.845 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCOC[C@@H]2OCC)cc1OCC ZINC000546766462 1009734623 /nfs/dbraw/zinc/73/46/23/1009734623.db2.gz RMOGSVDVRFOUGG-WMZOPIPTSA-N 1 0 414.340 3.696 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2OCC)cc1OCC ZINC000546766460 1009734927 /nfs/dbraw/zinc/73/49/27/1009734927.db2.gz RMOGSVDVRFOUGG-SJLPKXTDSA-N 1 0 414.340 3.696 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000520693591 1009761468 /nfs/dbraw/zinc/76/14/68/1009761468.db2.gz GVVJFCVTRYWZOX-UHFFFAOYSA-N 1 0 401.551 3.856 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000544176171 1009780266 /nfs/dbraw/zinc/78/02/66/1009780266.db2.gz RYIGUPCUXCKGSP-UPVQGACJSA-N 1 0 406.530 3.511 20 30 HHEDRO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238195 1009796750 /nfs/dbraw/zinc/79/67/50/1009796750.db2.gz XFUDTCCJGXJVRV-QFIPXVFZSA-N 1 0 400.592 3.635 20 30 HHEDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000550409555 1009915669 /nfs/dbraw/zinc/91/56/69/1009915669.db2.gz NZFPVZBMNANMQS-INIZCTEOSA-N 1 0 421.944 3.892 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000550554293 1010022095 /nfs/dbraw/zinc/02/20/95/1010022095.db2.gz OUMIAWAUPAEOQS-UHFFFAOYSA-N 1 0 423.532 3.511 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@@H]1CCCO1 ZINC000544460542 1010084137 /nfs/dbraw/zinc/08/41/37/1010084137.db2.gz OMSWBZNHQKVLAC-IRLDBZIGSA-N 1 0 406.530 3.713 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000521073596 1010090062 /nfs/dbraw/zinc/09/00/62/1010090062.db2.gz BNUDQPFBSCWMJC-UHFFFAOYSA-N 1 0 409.578 3.930 20 30 HHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nnc2ccccn21 ZINC000544482781 1010106087 /nfs/dbraw/zinc/10/60/87/1010106087.db2.gz MSURUIAUXQSGAP-AWEZNQCLSA-N 1 0 408.531 3.611 20 30 HHEDRO C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000550766603 1010164269 /nfs/dbraw/zinc/16/42/69/1010164269.db2.gz WXQXEVRMOXTONP-KBXCAEBGSA-N 1 0 412.559 3.663 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000521332026 1010311720 /nfs/dbraw/zinc/31/17/20/1010311720.db2.gz WUVRJTPTYGNWGA-QZTJIDSGSA-N 1 0 420.513 3.668 20 30 HHEDRO N#Cc1cc2c(nc1SCC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CCCC2 ZINC000521366342 1010336383 /nfs/dbraw/zinc/33/63/83/1010336383.db2.gz RKNMYOUCISSDBK-UHFFFAOYSA-N 1 0 420.582 3.836 20 30 HHEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCC1 ZINC000544739446 1010345088 /nfs/dbraw/zinc/34/50/88/1010345088.db2.gz DGFMMSSWQZNQAN-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000544746582 1010350571 /nfs/dbraw/zinc/35/05/71/1010350571.db2.gz RRPOWRZPFVUGSG-KDURUIRLSA-N 1 0 403.592 3.668 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000521573624 1010473213 /nfs/dbraw/zinc/47/32/13/1010473213.db2.gz KHJKNTZIIHQOHJ-HSZRJFAPSA-N 1 0 405.542 3.705 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 ZINC000521588532 1010484729 /nfs/dbraw/zinc/48/47/29/1010484729.db2.gz FEDVBGCVFYODGC-UHFFFAOYSA-N 1 0 406.958 3.888 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000547962694 1010485154 /nfs/dbraw/zinc/48/51/54/1010485154.db2.gz DUBTVIBVYAPANZ-IBGZPJMESA-N 1 0 410.905 3.630 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000521589455 1010485589 /nfs/dbraw/zinc/48/55/89/1010485589.db2.gz BOUFUPNSCSIGDI-UHFFFAOYSA-N 1 0 407.514 3.883 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000521667049 1010536527 /nfs/dbraw/zinc/53/65/27/1010536527.db2.gz INFWLGMANBXUMR-QGZVFWFLSA-N 1 0 416.447 3.956 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000548171041 1010551167 /nfs/dbraw/zinc/55/11/67/1010551167.db2.gz LVHHAIKZGQHAPR-LJQANCHMSA-N 1 0 404.436 3.935 20 30 HHEDRO CCOc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(Cl)c1O ZINC000545168922 1010665744 /nfs/dbraw/zinc/66/57/44/1010665744.db2.gz SKHANCUZVVLKQE-UHFFFAOYSA-N 1 0 401.894 3.520 20 30 HHEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000521886423 1010685727 /nfs/dbraw/zinc/68/57/27/1010685727.db2.gz WOMCAZXPMGWZOO-LPHOPBHVSA-N 1 0 403.313 3.981 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CCCc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000521921832 1010713000 /nfs/dbraw/zinc/71/30/00/1010713000.db2.gz RNLJPJRRDGZBQY-UHFFFAOYSA-N 1 0 405.477 3.939 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000551639739 1010714547 /nfs/dbraw/zinc/71/45/47/1010714547.db2.gz HBMUPMGCCOPJGR-SFHVURJKSA-N 1 0 419.978 3.644 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000548824196 1010738384 /nfs/dbraw/zinc/73/83/84/1010738384.db2.gz MCFHPSKOCXTAQD-JOCHJYFZSA-N 1 0 417.557 3.559 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548930466 1010765841 /nfs/dbraw/zinc/76/58/41/1010765841.db2.gz BXJSXKTYGGOAIT-BJKOFHAPSA-N 1 0 416.569 3.944 20 30 HHEDRO COc1cccc([C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N2CCCC2)c1 ZINC000540596869 1011253135 /nfs/dbraw/zinc/25/31/35/1011253135.db2.gz GKYYMVVXWRLZSI-AREMUKBSSA-N 1 0 418.585 3.958 20 30 HHEDRO C=CCOc1cccc(C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000522840613 1011278080 /nfs/dbraw/zinc/27/80/80/1011278080.db2.gz VOVJXRBGUDLTOE-UHFFFAOYSA-N 1 0 410.514 3.663 20 30 HHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000540721105 1011374200 /nfs/dbraw/zinc/37/42/00/1011374200.db2.gz FQPUGNMSYQGKAZ-UHFFFAOYSA-N 1 0 417.513 3.710 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000540786305 1011445798 /nfs/dbraw/zinc/44/57/98/1011445798.db2.gz GMFAJPRAMLDGIY-UHFFFAOYSA-N 1 0 416.569 3.882 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)c1C#N ZINC000536305586 1011497816 /nfs/dbraw/zinc/49/78/16/1011497816.db2.gz WTWLEDJZMDCFKI-UHFFFAOYSA-N 1 0 424.530 3.596 20 30 HHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)N3CCC(CC#N)CC3)cc2)C[C@H]1C ZINC000540991925 1011625438 /nfs/dbraw/zinc/62/54/38/1011625438.db2.gz QYQSYYBIXHYFHG-WOJBJXKFSA-N 1 0 412.578 3.531 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccccc1 ZINC000541097869 1011744317 /nfs/dbraw/zinc/74/43/17/1011744317.db2.gz RBMHRTQWGYDIQQ-IBGZPJMESA-N 1 0 408.893 3.822 20 30 HHEDRO CCCC[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000541100118 1011746347 /nfs/dbraw/zinc/74/63/47/1011746347.db2.gz BSFBGFJXWHRZRT-UHFFFAOYSA-N 1 0 400.914 3.783 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[NH+]2CCCC2)o1 ZINC000541105250 1011752652 /nfs/dbraw/zinc/75/26/52/1011752652.db2.gz IFOQZFZCMCCFRZ-LJQANCHMSA-N 1 0 422.464 3.743 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1)CC1CC1 ZINC000536606636 1011766943 /nfs/dbraw/zinc/76/69/43/1011766943.db2.gz SGDOHCABBSMQLF-UHFFFAOYSA-N 1 0 416.953 3.511 20 30 HHEDRO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(C#N)cn1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000523307046 1011784519 /nfs/dbraw/zinc/78/45/19/1011784519.db2.gz VNFZAIXGSMWEHL-UHFFFAOYSA-N 1 0 412.515 3.603 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C#N)[NH+](CC)CC)cc1 ZINC000551799630 1011957120 /nfs/dbraw/zinc/95/71/20/1011957120.db2.gz PZRDAJQSVGEVNZ-QFIPXVFZSA-N 1 0 406.530 3.567 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)CC1 ZINC000536763765 1011964152 /nfs/dbraw/zinc/96/41/52/1011964152.db2.gz QKEYNBISZASPMD-UHFFFAOYSA-N 1 0 409.578 3.986 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000551846000 1012000840 /nfs/dbraw/zinc/00/08/40/1012000840.db2.gz JFOKJTQVJKJBDJ-GJZGRUSLSA-N 1 0 416.447 3.858 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCCc2ccc(Br)cc2OC)CC1 ZINC000541326937 1012037323 /nfs/dbraw/zinc/03/73/23/1012037323.db2.gz YDKMPNYVVLNIQS-UHFFFAOYSA-N 1 0 424.383 3.730 20 30 HHEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000536872605 1012114450 /nfs/dbraw/zinc/11/44/50/1012114450.db2.gz WDUBWVVCUWPZAW-RBUKOAKNSA-N 1 0 403.482 3.524 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000523585710 1012136624 /nfs/dbraw/zinc/13/66/24/1012136624.db2.gz XWZMZXMTVXFONI-UHFFFAOYSA-N 1 0 414.509 3.744 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000552149124 1012171456 /nfs/dbraw/zinc/17/14/56/1012171456.db2.gz TXXQCGJJRIYGBC-PKTZIBPZSA-N 1 0 419.500 3.832 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000552199215 1012210917 /nfs/dbraw/zinc/21/09/17/1012210917.db2.gz QNPRLKUBVJZHTI-NRFANRHFSA-N 1 0 417.465 3.549 20 30 HHEDRO C[C@H](CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCCCC1 ZINC000541455334 1012214968 /nfs/dbraw/zinc/21/49/68/1012214968.db2.gz LCHKTISLYFGHHG-OAHLLOKOSA-N 1 0 400.914 3.783 20 30 HHEDRO CC1(C)CN(C2(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CCCCC2)CCO1 ZINC000552245296 1012255984 /nfs/dbraw/zinc/25/59/84/1012255984.db2.gz VULDLKAKAJAWJA-UHFFFAOYSA-N 1 0 410.606 3.930 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000541493853 1012270126 /nfs/dbraw/zinc/27/01/26/1012270126.db2.gz YKJTZLWUFIILGK-QFIPXVFZSA-N 1 0 422.529 3.851 20 30 HHEDRO CC(C)[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCN(C)CC1 ZINC000552280245 1012294142 /nfs/dbraw/zinc/29/41/42/1012294142.db2.gz ZVZZQELOJVHWAK-HSZRJFAPSA-N 1 0 421.545 3.744 20 30 HHEDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1F ZINC000552321201 1012331266 /nfs/dbraw/zinc/33/12/66/1012331266.db2.gz LWNFWTJCYWGHGY-NSHDSACASA-N 1 0 416.305 3.633 20 30 HHEDRO C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)Sc1ccc(Br)cc1 ZINC000523735406 1012354947 /nfs/dbraw/zinc/35/49/47/1012354947.db2.gz KGKCGZVAOXKEBK-YVEFUNNKSA-N 1 0 404.333 3.618 20 30 HHEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537092843 1012452420 /nfs/dbraw/zinc/45/24/20/1012452420.db2.gz KEORPUMNGFBPTQ-KRWDZBQOSA-N 1 0 413.481 3.885 20 30 HHEDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000552461187 1012487064 /nfs/dbraw/zinc/48/70/64/1012487064.db2.gz JDVLPMCWKXYZAB-UHFFFAOYSA-N 1 0 405.546 3.872 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000537132937 1012519652 /nfs/dbraw/zinc/51/96/52/1012519652.db2.gz WZEZIROUQLCLTJ-UHFFFAOYSA-N 1 0 411.889 3.903 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000541690132 1012532122 /nfs/dbraw/zinc/53/21/22/1012532122.db2.gz FREBKFWVYONORI-WCJKSRRJSA-N 1 0 416.443 3.716 20 30 HHEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2NC1=O ZINC000537154419 1012549903 /nfs/dbraw/zinc/54/99/03/1012549903.db2.gz LRWJQKXOWIKXJS-KZULUSFZSA-N 1 0 412.877 3.610 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000523898322 1012606125 /nfs/dbraw/zinc/60/61/25/1012606125.db2.gz CSFFGOYMIFKURY-SFHVURJKSA-N 1 0 418.541 3.768 20 30 HHEDRO C[C@@H](NC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000523905275 1012619558 /nfs/dbraw/zinc/61/95/58/1012619558.db2.gz MADGKVZBUHTMRM-DLBZAZTESA-N 1 0 409.509 3.571 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC1 ZINC000523910646 1012628137 /nfs/dbraw/zinc/62/81/37/1012628137.db2.gz URTSEVNXMJHVOS-LJAQVGFWSA-N 1 0 411.571 3.907 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000537247790 1012693576 /nfs/dbraw/zinc/69/35/76/1012693576.db2.gz HCDGIMXPDBDAMT-FCHUYYIVSA-N 1 0 420.582 3.609 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000537249456 1012695056 /nfs/dbraw/zinc/69/50/56/1012695056.db2.gz UTJCATREPAFNBU-REWPJTCUSA-N 1 0 408.571 3.588 20 30 HHEDRO COc1ccc(C(=O)N2CCCC2)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000541901634 1012762059 /nfs/dbraw/zinc/76/20/59/1012762059.db2.gz BQTKVTJXXONTRV-UHFFFAOYSA-N 1 0 418.541 3.879 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000552814844 1012822702 /nfs/dbraw/zinc/82/27/02/1012822702.db2.gz RFYHMORXVQUUED-IBGZPJMESA-N 1 0 424.520 3.883 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000524071886 1012834562 /nfs/dbraw/zinc/83/45/62/1012834562.db2.gz MSRLZKYEGSJSFH-DLBZAZTESA-N 1 0 402.564 3.561 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000524082504 1012850198 /nfs/dbraw/zinc/85/01/98/1012850198.db2.gz CQAZSMMWXVKPPL-QFIPXVFZSA-N 1 0 407.514 3.533 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000552845141 1012853205 /nfs/dbraw/zinc/85/32/05/1012853205.db2.gz LCLGRSXWEQNUPX-OAQYLSRUSA-N 1 0 408.521 3.682 20 30 HHEDRO CCN(CC)C(=O)C1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000553026703 1013001875 /nfs/dbraw/zinc/00/18/75/1013001875.db2.gz ZOUNCUGLUHQDMW-KRWDZBQOSA-N 1 0 416.591 3.600 20 30 HHEDRO Cc1cc(-c2noc([C@H](Cc3ccccc3)NC(=O)[C@@H]([NH3+])CC(C)C)n2)ccc1C#N ZINC001212065829 1071948696 /nfs/dbraw/zinc/94/86/96/1071948696.db2.gz XNHNFQMGGNBOAD-SFTDATJTSA-N 1 0 417.513 3.690 20 30 HHEDRO CC[C@H](C)[N@H+](C)CCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001545668790 1071973564 /nfs/dbraw/zinc/97/35/64/1071973564.db2.gz YEEPKLKNGYPTLT-SFHVURJKSA-N 1 0 422.577 3.805 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614930262 1071990576 /nfs/dbraw/zinc/99/05/76/1071990576.db2.gz QEZYSVKETXMTKZ-UHFFFAOYSA-N 1 0 408.502 3.579 20 30 HHEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000487869621 1072106752 /nfs/dbraw/zinc/10/67/52/1072106752.db2.gz KHMXJUBTFKFRNY-GOSISDBHSA-N 1 0 400.544 3.984 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000729812478 1072127268 /nfs/dbraw/zinc/12/72/68/1072127268.db2.gz XFOFMPJRPNHLSN-LJQANCHMSA-N 1 0 402.498 3.934 20 30 HHEDRO N#Cc1cccc(OCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000912817953 1072286503 /nfs/dbraw/zinc/28/65/03/1072286503.db2.gz DHILDVVOZVKZDZ-UHFFFAOYSA-N 1 0 417.431 3.690 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(OC(C)=O)cc1 ZINC000760393770 1072317026 /nfs/dbraw/zinc/31/70/26/1072317026.db2.gz DRCFFCSPRQSYJK-UHFFFAOYSA-N 1 0 400.548 3.710 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=S)NCC3CC[NH+](C)CC3)c2)c1 ZINC000760466746 1072372875 /nfs/dbraw/zinc/37/28/75/1072372875.db2.gz HVEGEMNDIJSYHP-UHFFFAOYSA-N 1 0 421.566 3.501 20 30 HHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)CC1 ZINC000586840154 1072452030 /nfs/dbraw/zinc/45/20/30/1072452030.db2.gz MURYCTCOQIIBSU-UHFFFAOYSA-N 1 0 409.505 3.764 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H](C[NH+]3CCCCC3)c3ccccc3)C2)c(F)c1 ZINC000587121347 1072512072 /nfs/dbraw/zinc/51/20/72/1072512072.db2.gz UQATYCXPJJDRFZ-FYYLOGMGSA-N 1 0 420.532 3.867 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001625996372 1072512279 /nfs/dbraw/zinc/51/22/79/1072512279.db2.gz HWTAXAHKKBAQJP-UHFFFAOYSA-N 1 0 423.517 3.504 20 30 HHEDRO COc1cc(-c2noc(-c3cc4ccccc4n3CC#N)n2)ccc1OCC[NH+](C)C ZINC000612900679 1072526726 /nfs/dbraw/zinc/52/67/26/1072526726.db2.gz TWKPFNSCKGPACA-UHFFFAOYSA-N 1 0 417.469 3.831 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000554945015 1072977759 /nfs/dbraw/zinc/97/77/59/1072977759.db2.gz AICMJYQZZNOGNW-KOSHJBKYSA-N 1 0 407.489 3.931 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000554975087 1073015752 /nfs/dbraw/zinc/01/57/52/1073015752.db2.gz ANQCCIBJHBMPAD-FGZHOGPDSA-N 1 0 418.541 3.588 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555093818 1073142595 /nfs/dbraw/zinc/14/25/95/1073142595.db2.gz YCNNKOBLIFZCAZ-OAQYLSRUSA-N 1 0 400.530 3.795 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555132875 1073184293 /nfs/dbraw/zinc/18/42/93/1073184293.db2.gz NHZZEQVLPIGDEP-SJLPKXTDSA-N 1 0 406.914 3.776 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000572138412 1073201223 /nfs/dbraw/zinc/20/12/23/1073201223.db2.gz TVMCDOJFJDEGOY-GHTZIAJQSA-N 1 0 422.533 3.883 20 30 HHEDRO C[NH+](C)C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(F)cc1 ZINC000588769714 1073220944 /nfs/dbraw/zinc/22/09/44/1073220944.db2.gz LVDKQEJWUIIVOA-FQEVSTJZSA-N 1 0 407.445 3.902 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000555161836 1073221690 /nfs/dbraw/zinc/22/16/90/1073221690.db2.gz YUEFUEPERVLMQM-RTWAWAEBSA-N 1 0 408.571 3.684 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555238537 1073271147 /nfs/dbraw/zinc/27/11/47/1073271147.db2.gz VJGFFTGVPJFSNA-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000555251083 1073280449 /nfs/dbraw/zinc/28/04/49/1073280449.db2.gz XYZYUICLOAENMW-PMACEKPBSA-N 1 0 400.615 3.507 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000555250607 1073280865 /nfs/dbraw/zinc/28/08/65/1073280865.db2.gz ONIYIKZFJCPXMU-QFIPXVFZSA-N 1 0 409.578 3.697 20 30 HHEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000555244178 1073286373 /nfs/dbraw/zinc/28/63/73/1073286373.db2.gz YAVPXLAMUOUINL-OALUTQOASA-N 1 0 412.582 3.565 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000555256867 1073304748 /nfs/dbraw/zinc/30/47/48/1073304748.db2.gz WISRXBSLGGERCP-UHFFFAOYSA-N 1 0 402.546 3.855 20 30 HHEDRO C[NH+]1CCC(N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c2ccccc2)CC1 ZINC000588879718 1073325574 /nfs/dbraw/zinc/32/55/74/1073325574.db2.gz HNFVGJBGCLSXAE-IBGZPJMESA-N 1 0 406.505 3.651 20 30 HHEDRO N#CCCCCCC(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000588908684 1073334584 /nfs/dbraw/zinc/33/45/84/1073334584.db2.gz MBJPTPKVZUTQGI-UHFFFAOYSA-N 1 0 405.546 3.859 20 30 HHEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 ZINC000555390045 1073399746 /nfs/dbraw/zinc/39/97/46/1073399746.db2.gz SGXKYCHCIDZKFI-NRFANRHFSA-N 1 0 422.577 3.554 20 30 HHEDRO N#Cc1ccncc1N1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000590013555 1073451824 /nfs/dbraw/zinc/45/18/24/1073451824.db2.gz AYLJSKDAMNASTL-UHFFFAOYSA-N 1 0 404.436 3.953 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)CC(C)C ZINC000590213266 1073685218 /nfs/dbraw/zinc/68/52/18/1073685218.db2.gz OCGQNAUTRGNXRW-OAHLLOKOSA-N 1 0 406.596 3.728 20 30 HHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1n1cccn1 ZINC000555648768 1073704274 /nfs/dbraw/zinc/70/42/74/1073704274.db2.gz WOEBNLSYSGLOGC-VXNXHJTFSA-N 1 0 402.498 3.842 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000590537738 1073882223 /nfs/dbraw/zinc/88/22/23/1073882223.db2.gz CZJLJNRRFQUMEP-UHFFFAOYSA-N 1 0 402.454 3.925 20 30 HHEDRO CCCCCOc1ccc(/C=N/c2ccc(-c3noc(C4(N)C[NH2+]C4)n3)cc2)cc1 ZINC001212126684 1074136832 /nfs/dbraw/zinc/13/68/32/1074136832.db2.gz NQBTWZDTOXFKRN-VULFUBBASA-N 1 0 405.502 3.813 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000573626728 1074594172 /nfs/dbraw/zinc/59/41/72/1074594172.db2.gz NNPJQFNBOUKWLP-IFMALSPDSA-N 1 0 417.557 3.701 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC000592068682 1074686724 /nfs/dbraw/zinc/68/67/24/1074686724.db2.gz SENNDRFNQVRZGX-GFCCVEGCSA-N 1 0 401.732 3.636 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)CC1 ZINC000592302120 1074719922 /nfs/dbraw/zinc/71/99/22/1074719922.db2.gz UOEPCUZKFRCNDD-GOSISDBHSA-N 1 0 404.986 3.769 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000574541394 1075284688 /nfs/dbraw/zinc/28/46/88/1075284688.db2.gz KDNCCBPVGRXXPM-YVHKJVDXSA-N 1 0 416.591 3.504 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000575205296 1075484026 /nfs/dbraw/zinc/48/40/26/1075484026.db2.gz RWBXQYRCTPEQPY-HKUYNNGSSA-N 1 0 400.542 3.540 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2C)CC1 ZINC000597474287 1075654727 /nfs/dbraw/zinc/65/47/27/1075654727.db2.gz SFHRCWDWJAWESA-UHFFFAOYSA-N 1 0 407.514 3.883 20 30 HHEDRO N#Cc1c(Cl)nc(C(F)(F)N2CCC3(CCCC[NH2+]3)CC2)nc1C(F)(F)F ZINC001164388062 718803794 /nfs/dbraw/zinc/80/37/94/718803794.db2.gz QYCYEVYIAJYKRH-UHFFFAOYSA-N 1 0 409.790 3.678 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)cnc2Cl)c1 ZINC001164409876 718865906 /nfs/dbraw/zinc/86/59/06/718865906.db2.gz VCUOITBJCSQBIK-QFBILLFUSA-N 1 0 418.875 3.633 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164813615 720192923 /nfs/dbraw/zinc/19/29/23/720192923.db2.gz CRLVPGFIOTXLTQ-FDDCHVKYSA-N 1 0 410.949 3.945 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(C4(C#N)CCC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840102 720543646 /nfs/dbraw/zinc/54/36/46/720543646.db2.gz RLHLKJZMVUJNMZ-BAGYTPMASA-N 1 0 404.562 3.601 20 30 HHEDRO Cc1nc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164843322 720691372 /nfs/dbraw/zinc/69/13/72/720691372.db2.gz NVJIINWIIQIVHE-SFHVURJKSA-N 1 0 411.937 3.570 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2 ZINC001164840938 720706700 /nfs/dbraw/zinc/70/67/00/720706700.db2.gz STIACYDHBBAAHN-FQEVSTJZSA-N 1 0 401.514 3.694 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC001164842328 720712270 /nfs/dbraw/zinc/71/22/70/720712270.db2.gz YIGKOGGJSIIBPJ-JOCHJYFZSA-N 1 0 402.542 3.702 20 30 HHEDRO N#Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904035 721586508 /nfs/dbraw/zinc/58/65/08/721586508.db2.gz CPQQTDJPDLSBHX-LJQANCHMSA-N 1 0 403.864 3.739 20 30 HHEDRO N#Cc1cc2c(nc1N1CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C1)CCC2 ZINC001164913082 721724034 /nfs/dbraw/zinc/72/40/34/721724034.db2.gz SIFVGUKWJPBBID-JOCHJYFZSA-N 1 0 409.484 3.575 20 30 HHEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001164934312 721890967 /nfs/dbraw/zinc/89/09/67/721890967.db2.gz OSAVIURLXCTIRQ-IAGOWNOFSA-N 1 0 404.345 3.628 20 30 HHEDRO Cc1nc(C#Cc2ccnc(N3CCC[C@H]([NH+](C)C)C3)c2)c(C)n1-c1ccc(F)cc1 ZINC001165039534 721891463 /nfs/dbraw/zinc/89/14/63/721891463.db2.gz NEANUAFQQZBORV-QHCPKHFHSA-N 1 0 417.532 3.953 20 30 HHEDRO Cc1nc(C#Cc2ccnc(N3CCC[C@@H]([NH+](C)C)C3)c2)c(C)n1-c1ccc(F)cc1 ZINC001165039529 721891529 /nfs/dbraw/zinc/89/15/29/721891529.db2.gz NEANUAFQQZBORV-HSZRJFAPSA-N 1 0 417.532 3.953 20 30 HHEDRO N#Cc1ccc(OCC[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000537532780 1013048517 /nfs/dbraw/zinc/04/85/17/1013048517.db2.gz BUTSOLYNMRMJMB-UHFFFAOYSA-N 1 0 420.431 3.905 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ccc([N+](=O)[O-])cc3C#N)CC2)c1C ZINC000301190923 970798806 /nfs/dbraw/zinc/79/88/06/970798806.db2.gz LQXDGKQUXMSVBQ-UHFFFAOYSA-N 1 0 409.490 3.588 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000301295561 970854506 /nfs/dbraw/zinc/85/45/06/970854506.db2.gz XIODDDYTMZZKSH-AWEZNQCLSA-N 1 0 402.445 3.621 20 30 HHEDRO C=CC[NH+]1CCC(Nc2cnn(-c3cccc(C(F)(F)F)c3)c(=O)c2Cl)CC1 ZINC000301393534 970905864 /nfs/dbraw/zinc/90/58/64/970905864.db2.gz JJFOETDMINCXDX-UHFFFAOYSA-N 1 0 412.843 3.967 20 30 HHEDRO C=CC[NH+]1CCC(Nc2cc(C(=O)OC)nc3ccc(Br)cc32)CC1 ZINC000301405725 970912521 /nfs/dbraw/zinc/91/25/21/970912521.db2.gz UIYROBROLCDUNI-UHFFFAOYSA-N 1 0 404.308 3.846 20 30 HHEDRO N#Cc1ccc2nc(N3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2c1 ZINC000301970044 971136823 /nfs/dbraw/zinc/13/68/23/971136823.db2.gz CTHJMBJMEYVEJY-OAQYLSRUSA-N 1 0 412.541 3.540 20 30 HHEDRO C[C@@H]1CN(Cc2cccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)c2)CCO1 ZINC000302638949 971268392 /nfs/dbraw/zinc/26/83/92/971268392.db2.gz HWFRVYGJJIOLJJ-MRXNPFEDSA-N 1 0 417.469 3.847 20 30 HHEDRO CC(C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)COc1cccc2ccccc21 ZINC000302849962 971352266 /nfs/dbraw/zinc/35/22/66/971352266.db2.gz SOPKVMCWNRQYJO-NRFANRHFSA-N 1 0 423.557 3.633 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3nc4cc(Cl)ccn4c3C#N)C2)cc(OC)c1 ZINC000553108311 1013072507 /nfs/dbraw/zinc/07/25/07/1013072507.db2.gz HEDJSLICMRWLFR-MRXNPFEDSA-N 1 0 411.893 3.563 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000302949484 971414200 /nfs/dbraw/zinc/41/42/00/971414200.db2.gz CPILBYIMGYIEIV-UHFFFAOYSA-N 1 0 420.488 3.875 20 30 HHEDRO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2ccc(OCc3cccnc3)cc2)c1C ZINC000303144492 971526846 /nfs/dbraw/zinc/52/68/46/971526846.db2.gz MSWJDGUZUOMQEJ-UHFFFAOYSA-N 1 0 418.497 3.785 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)CC1 ZINC000303269429 971588865 /nfs/dbraw/zinc/58/88/65/971588865.db2.gz CAWNLPBKBDMRAU-GOSISDBHSA-N 1 0 404.986 3.814 20 30 HHEDRO C[NH+]=C(NCc1ccco1)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F ZINC000303395080 971679608 /nfs/dbraw/zinc/67/96/08/971679608.db2.gz GPNGZVFIRMNZFR-UHFFFAOYSA-N 1 0 405.424 3.966 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](CCO)C2CCCCC2)cc1 ZINC000303511915 971811913 /nfs/dbraw/zinc/81/19/13/971811913.db2.gz XCQZDBCULPNCHQ-UHFFFAOYSA-N 1 0 424.545 3.540 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCCc2ccc(-c3csc(C)n3)s2)cc1OC ZINC000303768254 972017165 /nfs/dbraw/zinc/01/71/65/972017165.db2.gz AEOFLPYZESJRAS-UHFFFAOYSA-N 1 0 416.572 3.844 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000303787213 972026996 /nfs/dbraw/zinc/02/69/96/972026996.db2.gz SGYMDTLCCPOJDT-HNNXBMFYSA-N 1 0 421.372 3.991 20 30 HHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C12CCCCC2 ZINC000303835616 972371939 /nfs/dbraw/zinc/37/19/39/972371939.db2.gz APIOEYNRVTWEOR-RTWAWAEBSA-N 1 0 421.545 3.742 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1Cl ZINC000303872250 972413965 /nfs/dbraw/zinc/41/39/65/972413965.db2.gz GCYNNXVHKHZNSW-ZDUSSCGKSA-N 1 0 417.815 3.534 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(Cl)cc1Cl ZINC000303873656 972415298 /nfs/dbraw/zinc/41/52/98/972415298.db2.gz CQQSJIYFUNFSAU-KGLIPLIRSA-N 1 0 422.360 3.779 20 30 HHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000303877340 972418560 /nfs/dbraw/zinc/41/85/60/972418560.db2.gz IMBSRDHJSIRCIA-ROUUACIJSA-N 1 0 422.573 3.988 20 30 HHEDRO C[C@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)c2)CCO1 ZINC000303887080 972427562 /nfs/dbraw/zinc/42/75/62/972427562.db2.gz ODORYEACWVIPJY-HNNXBMFYSA-N 1 0 422.451 3.733 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000303900091 972437238 /nfs/dbraw/zinc/43/72/38/972437238.db2.gz WNINDMVGMRKRRT-INIZCTEOSA-N 1 0 411.424 3.659 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1)c1ccc(Cl)cc1Cl ZINC000303905325 972475821 /nfs/dbraw/zinc/47/58/21/972475821.db2.gz VLHIUHWHHWIARH-CYBMUJFWSA-N 1 0 423.344 3.626 20 30 HHEDRO C[C@@H](NC(=[NH2+])NC[C@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000303902279 972472019 /nfs/dbraw/zinc/47/20/19/972472019.db2.gz XTRVFZZSXAHCKV-RISCZKNCSA-N 1 0 400.281 3.538 20 30 HHEDRO [NH2+]=C(NCc1cccc(OCc2ccccn2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303902415 972472173 /nfs/dbraw/zinc/47/21/73/972472173.db2.gz TYYXKNGXCGHHIW-UHFFFAOYSA-N 1 0 404.470 3.749 20 30 HHEDRO [NH2+]=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303906808 972476887 /nfs/dbraw/zinc/47/68/87/972476887.db2.gz WKGZQGARNWIINE-UHFFFAOYSA-N 1 0 406.408 3.634 20 30 HHEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000553289864 1013246648 /nfs/dbraw/zinc/24/66/48/1013246648.db2.gz QDHFBLDESXOJDQ-NRFANRHFSA-N 1 0 408.521 3.680 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000553325832 1013276375 /nfs/dbraw/zinc/27/63/75/1013276375.db2.gz YDJYBPLWHUPVDE-OAQYLSRUSA-N 1 0 417.981 3.844 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000553394330 1013323599 /nfs/dbraw/zinc/32/35/99/1013323599.db2.gz MAHXRWAOBACCJL-UHFFFAOYSA-N 1 0 413.606 3.535 20 30 HHEDRO C=CCc1cc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc(OC)c1OC ZINC000011951725 962214230 /nfs/dbraw/zinc/21/42/30/962214230.db2.gz AOUYIYFEXVXWJC-UHFFFAOYSA-N 1 0 409.530 3.827 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000537786963 1013347934 /nfs/dbraw/zinc/34/79/34/1013347934.db2.gz KGUBSQLYTNFYBG-UHFFFAOYSA-N 1 0 406.530 3.876 20 30 HHEDRO CC[C@@H](CNC(=O)Nc1cc(C#N)ccc1OCCOC)[N@@H+]1CCc2ccccc2C1 ZINC000542421000 1013372817 /nfs/dbraw/zinc/37/28/17/1013372817.db2.gz DPIKRLLFXNCYSH-NRFANRHFSA-N 1 0 422.529 3.542 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1)CC1CC1 ZINC000537821071 1013384604 /nfs/dbraw/zinc/38/46/04/1013384604.db2.gz YTAFWLDDZMFXJC-UHFFFAOYSA-N 1 0 416.953 3.511 20 30 HHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000017317745 963185585 /nfs/dbraw/zinc/18/55/85/963185585.db2.gz RSLHHCRQZVSJMG-UHFFFAOYSA-N 1 0 400.544 3.716 20 30 HHEDRO O=C(c1cc(F)ccc1F)C(C(=S)Nc1ccc(F)cc1)[n+]1cccc(CO)c1 ZINC000022730487 963705192 /nfs/dbraw/zinc/70/51/92/963705192.db2.gz DOEROIJFAKVJCB-UHFFFAOYSA-O 1 0 417.432 3.935 20 30 HHEDRO COc1ccc(CCNC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2)cc1 ZINC000023604992 963859788 /nfs/dbraw/zinc/85/97/88/963859788.db2.gz FHDXIGXIGPTGKN-UHFFFAOYSA-O 1 0 408.547 3.699 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](c2cccnc2)C2CC2)c1C#N ZINC000542519200 1013462245 /nfs/dbraw/zinc/46/22/45/1013462245.db2.gz XWTWEFAMNGKCFQ-QFIPXVFZSA-N 1 0 403.486 3.692 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000542531051 1013473916 /nfs/dbraw/zinc/47/39/16/1013473916.db2.gz ISTPQSVPHWHCGN-JQWIXIFHSA-N 1 0 411.428 3.822 20 30 HHEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051056257 964453874 /nfs/dbraw/zinc/45/38/74/964453874.db2.gz HLJMZDTZBBELKR-NHCUHLMSSA-N 1 0 412.578 3.567 20 30 HHEDRO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000026225275 964492963 /nfs/dbraw/zinc/49/29/63/964492963.db2.gz YQXADZGXRNNVPV-UHFFFAOYSA-N 1 0 402.292 3.790 20 30 HHEDRO N#CCCN(C(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC000026297703 964518163 /nfs/dbraw/zinc/51/81/63/964518163.db2.gz CCFZFNAANSIQGP-UHFFFAOYSA-N 1 0 412.537 3.904 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc(OC)c1OC ZINC000051778542 964696271 /nfs/dbraw/zinc/69/62/71/964696271.db2.gz QSHMTRHFWNBZJL-HXUWFJFHSA-N 1 0 415.509 3.674 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c1C#N ZINC000027119821 964789581 /nfs/dbraw/zinc/78/95/81/964789581.db2.gz SBIUIFIIPJHTTR-UHFFFAOYSA-N 1 0 423.536 3.604 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000027485663 964907446 /nfs/dbraw/zinc/90/74/46/964907446.db2.gz RTBQDCFJXUYMKH-AUUYWEPGSA-O 1 0 400.568 3.518 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000052636216 964940648 /nfs/dbraw/zinc/94/06/48/964940648.db2.gz GHHKPVOQHKFCDL-QFIPXVFZSA-N 1 0 408.546 3.961 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000553670965 1013536282 /nfs/dbraw/zinc/53/62/82/1013536282.db2.gz PGAOHNFNSKRQJT-JOCHJYFZSA-N 1 0 411.571 3.998 20 30 HHEDRO CC[C@@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000028155012 965046412 /nfs/dbraw/zinc/04/64/12/965046412.db2.gz ZUQAVOPWGSBXEE-HSZRJFAPSA-N 1 0 424.976 3.987 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(C(=O)Nc3ccccc3)CC1)CCC2 ZINC000028900431 965212211 /nfs/dbraw/zinc/21/22/11/965212211.db2.gz LIANNADUYFVKTL-UHFFFAOYSA-N 1 0 422.554 3.788 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(C)cc(C)nc1OC ZINC000553716786 1013567840 /nfs/dbraw/zinc/56/78/40/1013567840.db2.gz FOOBAWIONGYEFG-UHFFFAOYSA-N 1 0 401.580 3.805 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000054454786 965524984 /nfs/dbraw/zinc/52/49/84/965524984.db2.gz YIOXQEVKJIACBX-UHFFFAOYSA-N 1 0 407.905 3.970 20 30 HHEDRO Cc1cccc(OC[C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054613360 965582724 /nfs/dbraw/zinc/58/27/24/965582724.db2.gz DXLQKVGXSRPJLU-FQEVSTJZSA-N 1 0 406.530 3.552 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1)CC(C)C ZINC000538034281 1013606334 /nfs/dbraw/zinc/60/63/34/1013606334.db2.gz CNRJFVKCCCDQEV-UHFFFAOYSA-N 1 0 422.577 3.546 20 30 HHEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)C1 ZINC000553784905 1013612944 /nfs/dbraw/zinc/61/29/44/1013612944.db2.gz RSJOPAOEVZTRNV-JXQFQVJHSA-N 1 0 403.526 3.940 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055752013 966047538 /nfs/dbraw/zinc/04/75/38/966047538.db2.gz CXBZHNSRVKJETP-XMSQKQJNSA-N 1 0 407.514 3.678 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000060552570 966202679 /nfs/dbraw/zinc/20/26/79/966202679.db2.gz CJJCUUZVUZFJEM-HXUWFJFHSA-N 1 0 401.551 3.599 20 30 HHEDRO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)N(CCC#N)c3ccccc3)c(C)c2)CC1 ZINC000056170269 966245137 /nfs/dbraw/zinc/24/51/37/966245137.db2.gz QSNBNQMIDWZCDX-OAQYLSRUSA-N 1 0 419.573 3.884 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000060756484 966278489 /nfs/dbraw/zinc/27/84/89/966278489.db2.gz RMOYDIFLPTZIFM-UHFFFAOYSA-N 1 0 419.550 3.978 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)CC2)cc1 ZINC000553824474 1013639521 /nfs/dbraw/zinc/63/95/21/1013639521.db2.gz AKSPNYRUSMMKHO-ZEQRLZLVSA-N 1 0 418.541 3.553 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000553866220 1013665448 /nfs/dbraw/zinc/66/54/48/1013665448.db2.gz AGBXYLZQOFACIK-UHFFFAOYSA-N 1 0 402.283 3.567 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062410865 966669440 /nfs/dbraw/zinc/66/94/40/966669440.db2.gz RAOCWKFEZMFCQA-UHFFFAOYSA-N 1 0 402.445 3.831 20 30 HHEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000042019593 966689172 /nfs/dbraw/zinc/68/91/72/966689172.db2.gz UBEOUKZUPKWWJL-ROUUACIJSA-N 1 0 404.514 3.606 20 30 HHEDRO Cc1nc(SCC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(C#N)c(C)c1C ZINC000063272822 966799268 /nfs/dbraw/zinc/79/92/68/966799268.db2.gz PMOSAUSOFVHITO-UHFFFAOYSA-N 1 0 400.592 3.741 20 30 HHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000553893239 1013680534 /nfs/dbraw/zinc/68/05/34/1013680534.db2.gz MTFPMFUDIUPXOS-SFHVURJKSA-N 1 0 402.514 3.515 20 30 HHEDRO COc1ccc([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000043139380 966914181 /nfs/dbraw/zinc/91/41/81/966914181.db2.gz GEQRFBJHXATJRO-QHCPKHFHSA-N 1 0 406.530 3.935 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3cc(Br)cc(C)c3C2)CC1 ZINC000538133879 1013695971 /nfs/dbraw/zinc/69/59/71/1013695971.db2.gz JJGLYLHWLXARPG-UHFFFAOYSA-N 1 0 406.368 3.866 20 30 HHEDRO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000542841926 1013702673 /nfs/dbraw/zinc/70/26/73/1013702673.db2.gz GIUQRFCGWNGDML-SFHVURJKSA-N 1 0 401.514 3.847 20 30 HHEDRO CCOc1ccccc1[C@H](CC)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000538152676 1013712844 /nfs/dbraw/zinc/71/28/44/1013712844.db2.gz FXGKCPLOZYNSOV-FQEVSTJZSA-N 1 0 403.486 3.822 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538159169 1013720781 /nfs/dbraw/zinc/72/07/81/1013720781.db2.gz MJSMMGWGAQEMDD-LSDHHAIUSA-N 1 0 405.527 3.972 20 30 HHEDRO Cc1ccccc1C[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000045684781 967533462 /nfs/dbraw/zinc/53/34/62/967533462.db2.gz IFVRVULRSXKYBL-UHFFFAOYSA-N 1 0 408.571 3.563 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(C)C ZINC000046049225 967647976 /nfs/dbraw/zinc/64/79/76/967647976.db2.gz RUAMFYMITKDPFE-UNMCSNQZSA-N 1 0 412.578 3.745 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000538181830 1013741024 /nfs/dbraw/zinc/74/10/24/1013741024.db2.gz KAFLSRARWUGMSG-UHFFFAOYSA-N 1 0 409.505 3.616 20 30 HHEDRO CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 ZINC000538201270 1013756412 /nfs/dbraw/zinc/75/64/12/1013756412.db2.gz LDCJHOLALAEQOT-GHTZIAJQSA-N 1 0 402.608 3.530 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000047011750 968031017 /nfs/dbraw/zinc/03/10/17/968031017.db2.gz SRUOFRGVEBVFEK-UHFFFAOYSA-N 1 0 404.539 3.815 20 30 HHEDRO C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047279921 968118897 /nfs/dbraw/zinc/11/88/97/968118897.db2.gz HAQHWWSLWGBBFB-QGZVFWFLSA-N 1 0 419.554 3.703 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000047283499 968121117 /nfs/dbraw/zinc/12/11/17/968121117.db2.gz FJFINSTZVZCZMF-MRXNPFEDSA-N 1 0 406.530 3.667 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945564 1013778277 /nfs/dbraw/zinc/77/82/77/1013778277.db2.gz UFFWFOFUYZWTLN-MRXNPFEDSA-N 1 0 403.507 3.936 20 30 HHEDRO C=CCOc1cccnc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000538254226 1013797050 /nfs/dbraw/zinc/79/70/50/1013797050.db2.gz IVXKGZCPQKXZCT-UHFFFAOYSA-N 1 0 415.921 3.573 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000048125788 968442090 /nfs/dbraw/zinc/44/20/90/968442090.db2.gz HFLNFDLLWIEGJC-UHFFFAOYSA-N 1 0 403.486 3.559 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)c2)c1 ZINC000048126187 968443158 /nfs/dbraw/zinc/44/31/58/968443158.db2.gz ZEOULVWXGUVKLC-UHFFFAOYSA-N 1 0 417.513 3.903 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000538259798 1013801671 /nfs/dbraw/zinc/80/16/71/1013801671.db2.gz PBRUTKVBDOQKCP-LJQANCHMSA-N 1 0 409.486 3.793 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000538261595 1013803391 /nfs/dbraw/zinc/80/33/91/1013803391.db2.gz UYXCYGLWTBRNFV-HSZRJFAPSA-N 1 0 405.542 3.836 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065866014 968688760 /nfs/dbraw/zinc/68/87/60/968688760.db2.gz UOEXDFXGKLXRMI-JOCHJYFZSA-N 1 0 409.505 3.585 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000065867495 968689597 /nfs/dbraw/zinc/68/95/97/968689597.db2.gz SKAHAUMNDRNTLS-QFIPXVFZSA-N 1 0 420.532 3.648 20 30 HHEDRO CCn1c2ccccc2nc1SCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065931270 968721883 /nfs/dbraw/zinc/72/18/83/968721883.db2.gz SJIRKKLITWZFFR-UHFFFAOYSA-N 1 0 421.570 3.610 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000065975214 968746807 /nfs/dbraw/zinc/74/68/07/968746807.db2.gz UFDCSKFEGNPWKF-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO Cc1ccc(NC(=O)[C@@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC000097571231 969164652 /nfs/dbraw/zinc/16/46/52/969164652.db2.gz JESRPDBZEMKVBH-QGZVFWFLSA-N 1 0 412.509 3.784 20 30 HHEDRO C[C@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000097571261 969164859 /nfs/dbraw/zinc/16/48/59/969164859.db2.gz RODAPFQQKXILSJ-HNNXBMFYSA-N 1 0 416.472 3.615 20 30 HHEDRO Cc1cccc(C)c1NC(=O)[C@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000097571494 969165980 /nfs/dbraw/zinc/16/59/80/969165980.db2.gz AUFPGBMPVDLAPH-IBGZPJMESA-N 1 0 408.546 3.953 20 30 HHEDRO C[C@@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000105491917 969241723 /nfs/dbraw/zinc/24/17/23/969241723.db2.gz XGFQLACAJSDHGD-GOSISDBHSA-N 1 0 410.949 3.597 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000109577769 969537075 /nfs/dbraw/zinc/53/70/75/969537075.db2.gz HLWUSTGXQQIHAE-QGZVFWFLSA-N 1 0 400.544 3.964 20 30 HHEDRO CN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000110125455 969626846 /nfs/dbraw/zinc/62/68/46/969626846.db2.gz ZAOUFXDIDWPRNG-OAQYLSRUSA-N 1 0 401.432 3.971 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110295842 969648890 /nfs/dbraw/zinc/64/88/90/969648890.db2.gz BXAGWFVDLYKJAU-UHFFFAOYSA-N 1 0 418.541 3.904 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000110986434 969754358 /nfs/dbraw/zinc/75/43/58/969754358.db2.gz XMGUDIBBTLRDDN-NVXWUHKLSA-N 1 0 404.942 3.557 20 30 HHEDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)CC2)n1 ZINC000110985405 969754417 /nfs/dbraw/zinc/75/44/17/969754417.db2.gz HHSJYFOPPIZDFY-ZDUSSCGKSA-N 1 0 413.547 3.644 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000195660520 969938896 /nfs/dbraw/zinc/93/88/96/969938896.db2.gz TVBMOPYQHZJCIY-RPWUZVMVSA-N 1 0 420.557 3.799 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000195702105 969968621 /nfs/dbraw/zinc/96/86/21/969968621.db2.gz PFKKRRWWNUCHLB-HSZRJFAPSA-N 1 0 422.529 3.712 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1Br ZINC000217779943 970084937 /nfs/dbraw/zinc/08/49/37/970084937.db2.gz BQYJAZOYHUAMPA-LLVKDONJSA-N 1 0 406.280 3.829 20 30 HHEDRO CC1(C)CN([C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)c2ccc(Cl)cc2)CCO1 ZINC000236690026 970155817 /nfs/dbraw/zinc/15/58/17/970155817.db2.gz XIXZXJQYQRUEOC-OAQYLSRUSA-N 1 0 423.948 3.801 20 30 HHEDRO COc1cccc(C(=O)NCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000237337843 970265766 /nfs/dbraw/zinc/26/57/66/970265766.db2.gz AWOYWUFZUYCCLL-UHFFFAOYSA-N 1 0 415.493 3.665 20 30 HHEDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000237774151 970363658 /nfs/dbraw/zinc/36/36/58/970363658.db2.gz QJKPVWDEYOXEMG-HSZRJFAPSA-N 1 0 402.494 3.975 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c(-c2ccccc2)n1 ZINC000237830672 970376124 /nfs/dbraw/zinc/37/61/24/970376124.db2.gz ZPGQWNJSCFIRFF-OAQYLSRUSA-N 1 0 421.570 3.688 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)nc1 ZINC000237856746 970383487 /nfs/dbraw/zinc/38/34/87/970383487.db2.gz LFOQIGOPQVYJGD-UHFFFAOYSA-N 1 0 419.510 3.564 20 30 HHEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554630966 1013993936 /nfs/dbraw/zinc/99/39/36/1013993936.db2.gz LQKMSQTXSONPBC-UHFFFAOYSA-N 1 0 413.566 3.705 20 30 HHEDRO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000248114818 970509623 /nfs/dbraw/zinc/50/96/23/970509623.db2.gz SAUXQMXOGADIPX-UHFFFAOYSA-N 1 0 418.585 3.813 20 30 HHEDRO Cc1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)C2)n1 ZINC000250901879 970540923 /nfs/dbraw/zinc/54/09/23/970540923.db2.gz OIJSRYDWLOEWDD-ZFWWWQNUSA-N 1 0 413.547 3.644 20 30 HHEDRO Cc1cc(NC2CC[NH+](C3CCN(C)CC3)CC2)n2c3ccccc3nc2c1C#N ZINC000301124453 970760292 /nfs/dbraw/zinc/76/02/92/970760292.db2.gz SJDOBJUQOOXCFN-UHFFFAOYSA-N 1 0 402.546 3.638 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1Cl ZINC000303975759 972561349 /nfs/dbraw/zinc/56/13/49/972561349.db2.gz JKTSPLCEMXWIQN-GOSISDBHSA-N 1 0 423.344 3.802 20 30 HHEDRO Cc1cccc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303989333 972570693 /nfs/dbraw/zinc/57/06/93/972570693.db2.gz XLJLREPCLXNPRS-LJQANCHMSA-N 1 0 406.452 3.814 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000304480670 972601383 /nfs/dbraw/zinc/60/13/83/972601383.db2.gz IGNJCQRGMMTFDH-UHFFFAOYSA-N 1 0 407.371 3.515 20 30 HHEDRO Cc1ccc([C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)N2CCCC2)o1 ZINC000304502810 972601567 /nfs/dbraw/zinc/60/15/67/972601567.db2.gz PXBMTUONUSCFSU-KRWDZBQOSA-N 1 0 410.440 3.728 20 30 HHEDRO CN(C)[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000304744274 972604065 /nfs/dbraw/zinc/60/40/65/972604065.db2.gz DMUSAMXZZHWONO-INIZCTEOSA-N 1 0 416.394 3.571 20 30 HHEDRO CN(C)[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000304739954 972604110 /nfs/dbraw/zinc/60/41/10/972604110.db2.gz BKRXFUJILYGXEF-OAHLLOKOSA-N 1 0 402.367 3.893 20 30 HHEDRO [NH2+]=C(NCCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc2c(c1)OCCCO2 ZINC000304754154 972604358 /nfs/dbraw/zinc/60/43/58/972604358.db2.gz LQOWDKUOXHRBKC-UHFFFAOYSA-N 1 0 413.865 3.521 20 30 HHEDRO CC(C)(C)c1csc(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000304763155 972605393 /nfs/dbraw/zinc/60/53/93/972605393.db2.gz WMXNBYUFJCICRW-UHFFFAOYSA-N 1 0 400.470 3.986 20 30 HHEDRO COc1cc(OC)cc([C@@H](O)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000304762195 972605541 /nfs/dbraw/zinc/60/55/41/972605541.db2.gz VJSDQZDIRZTNGB-VOJFVSQTSA-N 1 0 412.317 3.710 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@@H](CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)C2)c1 ZINC000305027304 972608641 /nfs/dbraw/zinc/60/86/41/972608641.db2.gz PSJUKZDAGUVALT-KRWDZBQOSA-N 1 0 412.534 3.744 20 30 HHEDRO COc1cc2c(cc1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)O[C@H](C)C2 ZINC000305173832 972610074 /nfs/dbraw/zinc/61/00/74/972610074.db2.gz FTEJWPWTKNIBRC-GFCCVEGCSA-N 1 0 409.408 3.522 20 30 HHEDRO CCOCCC[NH+]=C(NCc1nc2c(cccc2C)[nH]1)NCc1ccc(OC)cc1 ZINC000305728694 972614927 /nfs/dbraw/zinc/61/49/27/972614927.db2.gz STCLFOQEPXZOAG-UHFFFAOYSA-N 1 0 409.534 3.542 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1C(F)(F)F ZINC000409482151 972931706 /nfs/dbraw/zinc/93/17/06/972931706.db2.gz DAVSNYWISDTUJA-UHFFFAOYSA-N 1 0 415.481 3.510 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000554848761 1014073652 /nfs/dbraw/zinc/07/36/52/1014073652.db2.gz NYGUTDVUBIVFAO-QWHCGFSZSA-N 1 0 416.403 3.601 20 30 HHEDRO C[C@H]1C[C@@H](CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000409860823 973329361 /nfs/dbraw/zinc/32/93/61/973329361.db2.gz RPKQIDXZGGGNHL-SIKLNZKXSA-N 1 0 413.525 3.774 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000425917999 974030063 /nfs/dbraw/zinc/03/00/63/974030063.db2.gz HNSWXVVDEUIAMH-ROUUACIJSA-N 1 0 420.513 3.526 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN([C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000426368505 974418171 /nfs/dbraw/zinc/41/81/71/974418171.db2.gz YXPGSSWSCLWMDP-JOCHJYFZSA-N 1 0 408.933 3.525 20 30 HHEDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)(C)C ZINC000426505133 974493263 /nfs/dbraw/zinc/49/32/63/974493263.db2.gz SYLYNBCGQBIHRX-OAQYLSRUSA-N 1 0 422.529 3.772 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C[NH+]1CCCCC1 ZINC000426660995 974588490 /nfs/dbraw/zinc/58/84/90/974588490.db2.gz RPJFZTRDKVQRNG-SFHVURJKSA-N 1 0 420.513 3.527 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1Cl ZINC000426796933 974667734 /nfs/dbraw/zinc/66/77/34/974667734.db2.gz COCMNTCMCBCTDN-LJQANCHMSA-N 1 0 405.926 3.590 20 30 HHEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)C ZINC000426984716 974800140 /nfs/dbraw/zinc/80/01/40/974800140.db2.gz CDGGRCWPFFTKDZ-UHFFFAOYSA-N 1 0 422.529 3.914 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427281394 975022653 /nfs/dbraw/zinc/02/26/53/975022653.db2.gz PXACICJYBAQPJE-UHFFFAOYSA-N 1 0 403.530 3.852 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000427508252 975152309 /nfs/dbraw/zinc/15/23/09/975152309.db2.gz ZJRWJEKQZRCTJK-VWLOTQADSA-N 1 0 421.541 3.751 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1OCCc2sccc21 ZINC000427826126 975310965 /nfs/dbraw/zinc/31/09/65/975310965.db2.gz ZSQALFRMIBCBDR-SOZUMNATSA-N 1 0 401.557 3.789 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000428000568 975381212 /nfs/dbraw/zinc/38/12/12/975381212.db2.gz KWXKZCDSORQUOC-GOSISDBHSA-N 1 0 404.514 3.627 20 30 HHEDRO CC(C)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[NH+]1CCC(C)CC1 ZINC000428213333 975537210 /nfs/dbraw/zinc/53/72/10/975537210.db2.gz ROHMVNLYFDASCE-JOCHJYFZSA-N 1 0 407.562 3.950 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000428311942 975618215 /nfs/dbraw/zinc/61/82/15/975618215.db2.gz SKONDNZOYJOPMN-UHFFFAOYSA-N 1 0 405.542 3.836 20 30 HHEDRO CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000428337977 975648638 /nfs/dbraw/zinc/64/86/38/975648638.db2.gz WPEVTGUULGDQQM-SFTDATJTSA-N 1 0 400.592 3.840 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C2(C#N)CCCC2)cc1Cl ZINC000428405243 975726238 /nfs/dbraw/zinc/72/62/38/975726238.db2.gz WYDVBSVQONNQNV-UHFFFAOYSA-N 1 0 404.942 3.824 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)nc1 ZINC000428786593 976061737 /nfs/dbraw/zinc/06/17/37/976061737.db2.gz OBJCTZPMIYHXDX-OAHLLOKOSA-N 1 0 405.285 3.742 20 30 HHEDRO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000428791273 976066482 /nfs/dbraw/zinc/06/64/82/976066482.db2.gz ZHHAAOPIRDGFOF-APPDUMDISA-N 1 0 422.710 3.624 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000428801523 976079643 /nfs/dbraw/zinc/07/96/43/976079643.db2.gz HWGBRRVZFMJYIL-LADGPHEKSA-N 1 0 415.493 3.513 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C#N ZINC000429016180 976296640 /nfs/dbraw/zinc/29/66/40/976296640.db2.gz AVTKXKMGXKGETM-IUKKYPGJSA-N 1 0 419.573 3.566 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429022798 976304557 /nfs/dbraw/zinc/30/45/57/976304557.db2.gz CNXKRDCMOKBFJF-HXUWFJFHSA-N 1 0 420.513 3.845 20 30 HHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429079194 976364376 /nfs/dbraw/zinc/36/43/76/976364376.db2.gz LFGJPPHWWLPZFD-LJQANCHMSA-N 1 0 401.514 3.714 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1OCCc2sccc21 ZINC000429192875 976483480 /nfs/dbraw/zinc/48/34/80/976483480.db2.gz SJNJDHQYMXNKPL-JLTOFOAXSA-N 1 0 403.935 3.940 20 30 HHEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000429278419 976562815 /nfs/dbraw/zinc/56/28/15/976562815.db2.gz QUNQXPQSVIFXDD-HXUWFJFHSA-N 1 0 412.331 3.850 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429383270 976656576 /nfs/dbraw/zinc/65/65/76/976656576.db2.gz JWWAMSRLYQBSDH-ZWKOTPCHSA-N 1 0 400.592 3.826 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429383254 976656674 /nfs/dbraw/zinc/65/66/74/976656674.db2.gz JWWAMSRLYQBSDH-MSOLQXFVSA-N 1 0 400.592 3.826 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@@H+](C4CCC4)C[C@@H](C)C3)sc2C1 ZINC000429383556 976656844 /nfs/dbraw/zinc/65/68/44/976656844.db2.gz RADNMCIDPWHQFJ-SJORKVTESA-N 1 0 414.619 3.879 20 30 HHEDRO Cc1noc(C[C@@H]([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)c2ccccc2)n1 ZINC000429531206 976792923 /nfs/dbraw/zinc/79/29/23/976792923.db2.gz ATIZJANFRMUHJP-HXUWFJFHSA-N 1 0 423.904 3.852 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)nc1 ZINC000430186261 977377977 /nfs/dbraw/zinc/37/79/77/977377977.db2.gz MMIJXQWJAZXJEY-HSZRJFAPSA-N 1 0 422.492 3.854 20 30 HHEDRO CN(C(=O)[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000430317330 977472476 /nfs/dbraw/zinc/47/24/76/977472476.db2.gz IBPNEFZYAVZEKT-SFHVURJKSA-N 1 0 402.416 3.922 20 30 HHEDRO C=CCC[C@@H](NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000430346797 977492121 /nfs/dbraw/zinc/49/21/21/977492121.db2.gz YKJXVSXVHCISFY-ILBGXUMGSA-N 1 0 407.558 3.972 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430647233 977666775 /nfs/dbraw/zinc/66/67/75/977666775.db2.gz FFCQCLXUKZIXNI-XMSQKQJNSA-N 1 0 407.562 3.516 20 30 HHEDRO N#CCSc1cccc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000430769776 977746006 /nfs/dbraw/zinc/74/60/06/977746006.db2.gz YDLDWZYBVZPLHT-UHFFFAOYSA-N 1 0 422.598 3.630 20 30 HHEDRO C=CCN1C(=O)N([C@H](C[NH+]2CCCC2)c2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430853671 977806901 /nfs/dbraw/zinc/80/69/01/977806901.db2.gz XKVVBGPDZPRDDO-DHIUTWEWSA-N 1 0 403.526 3.885 20 30 HHEDRO Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000431156314 978056777 /nfs/dbraw/zinc/05/67/77/978056777.db2.gz KIPKDHYLEIGRSA-RTWAWAEBSA-N 1 0 406.534 3.762 20 30 HHEDRO Cc1noc(C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2)n1 ZINC000431176990 978076357 /nfs/dbraw/zinc/07/63/57/978076357.db2.gz FZPKUDPILFUULF-UWJYYQICSA-N 1 0 403.486 3.587 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C(=O)[C@H]1Cc1ccccc1 ZINC000431266029 978151985 /nfs/dbraw/zinc/15/19/85/978151985.db2.gz YONCEEHYOZTOJZ-TUACAJSNSA-N 1 0 417.553 3.959 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431704486 978447693 /nfs/dbraw/zinc/44/76/93/978447693.db2.gz XXUOHYQIOBETKJ-PMOQBDJRSA-N 1 0 403.526 3.711 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000431756090 978487811 /nfs/dbraw/zinc/48/78/11/978487811.db2.gz SHBFEGJUBSVDHZ-UHFFFAOYSA-N 1 0 422.529 3.678 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000432485717 978841711 /nfs/dbraw/zinc/84/17/11/978841711.db2.gz NOTTZLCXXLUHTD-UHFFFAOYSA-N 1 0 404.514 3.944 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[NH2+][C@@H]1CC3CCC1CC3)CCCC2 ZINC000433004571 979039108 /nfs/dbraw/zinc/03/91/08/979039108.db2.gz FVLHRJIPLFQXAM-YMPMHWPESA-N 1 0 410.562 3.524 20 30 HHEDRO Cc1ccccc1CN1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433013271 979041854 /nfs/dbraw/zinc/04/18/54/979041854.db2.gz WVPWJVILNHSOTJ-XMMPIXPASA-N 1 0 404.558 3.664 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000433022193 979044728 /nfs/dbraw/zinc/04/47/28/979044728.db2.gz JGQREPSOCQHMNH-HSZRJFAPSA-N 1 0 418.541 3.888 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000433025511 979046080 /nfs/dbraw/zinc/04/60/80/979046080.db2.gz LJJCHEUBWBQAJO-HSZRJFAPSA-N 1 0 424.589 3.652 20 30 HHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433128784 979088217 /nfs/dbraw/zinc/08/82/17/979088217.db2.gz XTSWZOJVKBUPQX-HSZRJFAPSA-N 1 0 403.526 3.760 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000433151534 979101066 /nfs/dbraw/zinc/10/10/66/979101066.db2.gz OFWTYEQNVOUDQD-KRWDZBQOSA-N 1 0 410.518 3.514 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433299377 979223574 /nfs/dbraw/zinc/22/35/74/979223574.db2.gz BURPGRGWCLTFFM-HSZRJFAPSA-N 1 0 400.530 3.613 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433320324 979234745 /nfs/dbraw/zinc/23/47/45/979234745.db2.gz RTTDDVKYOOHNCO-WRWLIDTKSA-N 1 0 406.368 3.756 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c(-c2ccncc2)n1 ZINC000433322106 979235421 /nfs/dbraw/zinc/23/54/21/979235421.db2.gz POEMGXIALCNDKS-LJQANCHMSA-N 1 0 420.586 3.922 20 30 HHEDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433321636 979235654 /nfs/dbraw/zinc/23/56/54/979235654.db2.gz YOHOTEHMPAOMPM-WMZHIEFXSA-N 1 0 400.530 3.784 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCCO1 ZINC000433519332 979353778 /nfs/dbraw/zinc/35/37/78/979353778.db2.gz KUOIKPJYGZCMED-SFHVURJKSA-N 1 0 408.502 3.973 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCO1 ZINC000433519599 979354135 /nfs/dbraw/zinc/35/41/35/979354135.db2.gz VXCLOLLIABLCCW-SFHVURJKSA-N 1 0 408.502 3.973 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(F)ccc1Br ZINC000433770317 979561353 /nfs/dbraw/zinc/56/13/53/979561353.db2.gz DKVHDEIHUDODIF-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO CN(C(=O)CSCc1ccc(C#N)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434178995 979943473 /nfs/dbraw/zinc/94/34/73/979943473.db2.gz YWTSICUMRLUJBI-UHFFFAOYSA-N 1 0 409.555 3.929 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000434784725 980397766 /nfs/dbraw/zinc/39/77/66/980397766.db2.gz DLJRFEWWWGVKFN-KDURUIRLSA-N 1 0 407.514 3.970 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870144 980459158 /nfs/dbraw/zinc/45/91/58/980459158.db2.gz PJQYFTLOVIFMGY-LAUBAEHRSA-N 1 0 408.571 3.747 20 30 HHEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C1=O ZINC000434876862 980462400 /nfs/dbraw/zinc/46/24/00/980462400.db2.gz KZFXCGKBXMPVMS-GOSISDBHSA-N 1 0 415.946 3.716 20 30 HHEDRO Cc1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)c(OCC[NH+](C)C)c1 ZINC000435132687 980664066 /nfs/dbraw/zinc/66/40/66/980664066.db2.gz KQDODJRXOHXWJR-UHFFFAOYSA-N 1 0 404.518 3.720 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)cc1C(F)(F)F ZINC000435153289 980683242 /nfs/dbraw/zinc/68/32/42/980683242.db2.gz HTORJVDTRVRHTO-UHFFFAOYSA-N 1 0 403.470 3.512 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc1C#N ZINC000435541558 980930378 /nfs/dbraw/zinc/93/03/78/980930378.db2.gz ZNZUDLJHJXAOQU-UHFFFAOYSA-N 1 0 410.518 3.998 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1C#N ZINC000435547568 980934758 /nfs/dbraw/zinc/93/47/58/980934758.db2.gz HFXIDKJVTUXISO-UHFFFAOYSA-N 1 0 405.502 3.813 20 30 HHEDRO C=CCC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000435760655 981019893 /nfs/dbraw/zinc/01/98/93/981019893.db2.gz LOOMVMIRNRRMKE-SGNDLWITSA-N 1 0 407.558 3.876 20 30 HHEDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436344055 981312996 /nfs/dbraw/zinc/31/29/96/981312996.db2.gz KIPQUHWUPLNAEQ-RTBURBONSA-N 1 0 420.557 3.773 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000448196436 981608178 /nfs/dbraw/zinc/60/81/78/981608178.db2.gz KNBWJVLEBWMSOV-GCJKJVERSA-N 1 0 405.498 3.819 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)nc1 ZINC000448201959 981613998 /nfs/dbraw/zinc/61/39/98/981613998.db2.gz IIRBGEFLIPMGSD-KNQAVFIVSA-N 1 0 402.498 3.834 20 30 HHEDRO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437105010 981763399 /nfs/dbraw/zinc/76/33/99/981763399.db2.gz HSZIRBVTPOHIPJ-XPPIMPSXSA-N 1 0 416.529 3.964 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460213850 981989190 /nfs/dbraw/zinc/98/91/90/981989190.db2.gz SRZNVSRECXEZIO-UHFFFAOYSA-N 1 0 400.530 3.937 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000437417422 982058971 /nfs/dbraw/zinc/05/89/71/982058971.db2.gz ZWBFCSUOYQZHQU-AUSIDOKSSA-N 1 0 415.578 3.652 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000460341506 982113655 /nfs/dbraw/zinc/11/36/55/982113655.db2.gz BVXRBXLEGYKBEW-IAGOWNOFSA-N 1 0 410.949 3.896 20 30 HHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460371623 982148993 /nfs/dbraw/zinc/14/89/93/982148993.db2.gz PFNFWGUFWNKWCT-NRFANRHFSA-N 1 0 405.546 3.943 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460380669 982159436 /nfs/dbraw/zinc/15/94/36/982159436.db2.gz ACNVFRXJVJYMOR-OAQYLSRUSA-N 1 0 420.561 3.760 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460382244 982160940 /nfs/dbraw/zinc/16/09/40/982160940.db2.gz UNNISVXUHBZFEW-MSOLQXFVSA-N 1 0 411.550 3.601 20 30 HHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460433908 982224695 /nfs/dbraw/zinc/22/46/95/982224695.db2.gz CAHSPRFNOGVDBO-HSZRJFAPSA-N 1 0 412.541 3.732 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000437744518 982333024 /nfs/dbraw/zinc/33/30/24/982333024.db2.gz DIQVJVXPFIABSL-GHTZIAJQSA-N 1 0 405.970 3.832 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460558123 982343802 /nfs/dbraw/zinc/34/38/02/982343802.db2.gz XCCIWIIJLNIESA-LJQANCHMSA-N 1 0 404.518 3.849 20 30 HHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000437890863 982441031 /nfs/dbraw/zinc/44/10/31/982441031.db2.gz QOEIOWBOYDFTNN-OAQYLSRUSA-N 1 0 405.502 3.759 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)C[C@H]1C ZINC000460746648 982505061 /nfs/dbraw/zinc/50/50/61/982505061.db2.gz DSWIJBAOPOVSAL-QUCCMNQESA-N 1 0 410.566 3.694 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCC2(CC#N)CC2)CC1 ZINC000460752848 982510450 /nfs/dbraw/zinc/51/04/50/982510450.db2.gz GNNVWSDLOXFYMR-UHFFFAOYSA-N 1 0 419.367 3.749 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460777719 982529861 /nfs/dbraw/zinc/52/98/61/982529861.db2.gz NFHLFRWLSAJLIJ-KRWDZBQOSA-N 1 0 415.969 3.864 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460781848 982535084 /nfs/dbraw/zinc/53/50/84/982535084.db2.gz HHSYZWYKGHDFMZ-HXUWFJFHSA-N 1 0 423.561 3.747 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460791219 982544441 /nfs/dbraw/zinc/54/44/41/982544441.db2.gz FHTSZDWMALBEMV-WIYYLYMNSA-N 1 0 410.566 3.552 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460798821 982551339 /nfs/dbraw/zinc/55/13/39/982551339.db2.gz XNYZNNADGLXMCR-CTNGQTDRSA-N 1 0 409.578 3.711 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460800409 982552521 /nfs/dbraw/zinc/55/25/21/982552521.db2.gz DOKOYJLOKGEFIG-FDFHNCONSA-N 1 0 407.562 3.772 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCC(C)(C)C#N)CC1 ZINC000460880692 982620132 /nfs/dbraw/zinc/62/01/32/982620132.db2.gz ILMQGTXVRMTRPM-UHFFFAOYSA-N 1 0 407.356 3.605 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460953160 982686719 /nfs/dbraw/zinc/68/67/19/982686719.db2.gz RULCDOCTHISFRY-UHFFFAOYSA-N 1 0 402.546 3.552 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460955737 982689013 /nfs/dbraw/zinc/68/90/13/982689013.db2.gz CXFNAFPDUQRSFK-ZWKOTPCHSA-N 1 0 413.566 3.847 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460959840 982691995 /nfs/dbraw/zinc/69/19/95/982691995.db2.gz PWIARTDFZLBVBQ-KNQAVFIVSA-N 1 0 419.577 3.744 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000438286262 982701223 /nfs/dbraw/zinc/70/12/23/982701223.db2.gz YCBHFDGQCFCWOR-XPWALMASSA-N 1 0 404.514 3.626 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1)C(C)C ZINC000460993021 982713096 /nfs/dbraw/zinc/71/30/96/982713096.db2.gz YRUMJIITDVDZKZ-WIOPSUGQSA-N 1 0 411.590 3.744 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C(C)C ZINC000460993221 982713754 /nfs/dbraw/zinc/71/37/54/982713754.db2.gz MARRCNJIXTZXEO-GOSISDBHSA-N 1 0 411.502 3.541 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c(C#N)c1C ZINC000438542248 982880975 /nfs/dbraw/zinc/88/09/75/982880975.db2.gz TXNREOQECFDJGW-KKXNLOMOSA-N 1 0 400.567 3.928 20 30 HHEDRO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000438643200 982961365 /nfs/dbraw/zinc/96/13/65/982961365.db2.gz DPTDKUUFOONMKJ-GJZGRUSLSA-N 1 0 424.467 3.930 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)on2)c1 ZINC000461454940 983121495 /nfs/dbraw/zinc/12/14/95/983121495.db2.gz JAGURBSQIFGXLP-FCHUYYIVSA-N 1 0 412.493 3.807 20 30 HHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000461478149 983135948 /nfs/dbraw/zinc/13/59/48/983135948.db2.gz GLBWKXFAVZWMIH-IBGZPJMESA-N 1 0 404.543 3.599 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(C4CC4)n3Cc3cccs3)CC2)cc1 ZINC000461503263 983153375 /nfs/dbraw/zinc/15/33/75/983153375.db2.gz QCRSLJMLISBPCJ-UHFFFAOYSA-N 1 0 418.570 3.849 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000439555294 983447888 /nfs/dbraw/zinc/44/78/88/983447888.db2.gz AGFQFYHYOONEFO-LJQANCHMSA-N 1 0 409.505 3.799 20 30 HHEDRO COc1cccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccccc2)c1 ZINC000439632952 983478200 /nfs/dbraw/zinc/47/82/00/983478200.db2.gz LAPZIKIQMGTIFM-QHCPKHFHSA-N 1 0 401.466 3.915 20 30 HHEDRO CCCc1c(NC(=O)NC2CC[NH+](CC(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439663413 983490028 /nfs/dbraw/zinc/49/00/28/983490028.db2.gz FLHBGQBQDKBPLZ-UHFFFAOYSA-N 1 0 408.550 3.938 20 30 HHEDRO CCCc1c(NC(=O)NCC[N@H+](C)Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000439669815 983493680 /nfs/dbraw/zinc/49/36/80/983493680.db2.gz XKGHWRAIUQSVHM-UHFFFAOYSA-N 1 0 416.529 3.950 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439731731 983518325 /nfs/dbraw/zinc/51/83/25/983518325.db2.gz KPVJLFFORJVELH-MBSDFSHPSA-N 1 0 406.530 3.698 20 30 HHEDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000440064771 983630266 /nfs/dbraw/zinc/63/02/66/983630266.db2.gz SXGPEAOPLOQCKG-LPHOPBHVSA-N 1 0 424.932 3.662 20 30 HHEDRO C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000440077391 983634983 /nfs/dbraw/zinc/63/49/83/983634983.db2.gz LVRQBBRIQAERDE-PGRDOPGGSA-N 1 0 423.536 3.983 20 30 HHEDRO CCN1CC[NH+](C[C@H](C)CNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440647193 983836875 /nfs/dbraw/zinc/83/68/75/983836875.db2.gz HFZXSPMENRRARL-OAHLLOKOSA-N 1 0 416.367 3.554 20 30 HHEDRO C[C@H]1C[N@H+](CCCNc2c(C#N)cnc3c(Br)cccc32)CCCO1 ZINC000440660394 983842604 /nfs/dbraw/zinc/84/26/04/983842604.db2.gz DCQRHSGHTFTIDG-AWEZNQCLSA-N 1 0 403.324 3.782 20 30 HHEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000440670388 983846666 /nfs/dbraw/zinc/84/66/66/983846666.db2.gz NBQZFEJSNZRTPD-UHFFFAOYSA-N 1 0 403.526 3.970 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440931941 983986454 /nfs/dbraw/zinc/98/64/54/983986454.db2.gz XSQQIQPYKNHLMG-LJQANCHMSA-N 1 0 416.481 3.527 20 30 HHEDRO C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000440987155 984012931 /nfs/dbraw/zinc/01/29/31/984012931.db2.gz WKYSPPLCBMMKMH-LJQANCHMSA-N 1 0 419.573 3.611 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441274386 984153062 /nfs/dbraw/zinc/15/30/62/984153062.db2.gz FJJCZQQYVSTHQS-MOPGFXCFSA-N 1 0 424.520 3.792 20 30 HHEDRO C=CCN(Cc1ccn(-c2ccc(F)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441319904 984180508 /nfs/dbraw/zinc/18/05/08/984180508.db2.gz WWEUYRARBALFBE-QGZVFWFLSA-N 1 0 403.465 3.736 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441354356 984203589 /nfs/dbraw/zinc/20/35/89/984203589.db2.gz MXMIBPCMFCCRLA-TZIWHRDSSA-N 1 0 409.505 4.000 20 30 HHEDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000441970563 984573346 /nfs/dbraw/zinc/57/33/46/984573346.db2.gz ASLDFVGLODCHPY-UHFFFAOYSA-N 1 0 420.513 3.588 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C[C@H]1C ZINC000461850000 984862449 /nfs/dbraw/zinc/86/24/49/984862449.db2.gz KCQMAXZHCYPWJJ-COPCDDAFSA-N 1 0 422.577 3.695 20 30 HHEDRO N#Cc1ccc(OC2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000461997204 984978285 /nfs/dbraw/zinc/97/82/85/984978285.db2.gz XVJRKBAISBOXQK-FRIKZZABSA-N 1 0 416.525 3.526 20 30 HHEDRO N#C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000462006181 984985508 /nfs/dbraw/zinc/98/55/08/984985508.db2.gz VLSGTKQHAXXVIJ-IBGZPJMESA-N 1 0 417.340 3.887 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1cccs1 ZINC000443239728 985457433 /nfs/dbraw/zinc/45/74/33/985457433.db2.gz ZHFJIOVGYOOYMH-FZKQIMNGSA-N 1 0 409.964 3.635 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1Cl ZINC000462549825 985497394 /nfs/dbraw/zinc/49/73/94/985497394.db2.gz KSMQTPQHXSQGJR-UHFFFAOYSA-N 1 0 406.935 3.735 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(I)ccc2Cl)CC1 ZINC000467948960 985585919 /nfs/dbraw/zinc/58/59/19/985585919.db2.gz LKWYDTXMGJLACD-UHFFFAOYSA-N 1 0 419.694 3.717 20 30 HHEDRO COCC[N@H+](C)CC[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000462826686 985749125 /nfs/dbraw/zinc/74/91/25/985749125.db2.gz ROCXSAWVFYPBBW-NRFANRHFSA-N 1 0 419.485 4.136 20 30 HHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000468166168 985844583 /nfs/dbraw/zinc/84/45/83/985844583.db2.gz AAJUTBXPGFVMHV-KRWDZBQOSA-N 1 0 410.566 3.653 20 30 HHEDRO CC(C)(CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000468250889 985949005 /nfs/dbraw/zinc/94/90/05/985949005.db2.gz GGOWNORTSIRUPR-UHFFFAOYSA-N 1 0 400.482 3.780 20 30 HHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1 ZINC000443799125 985998934 /nfs/dbraw/zinc/99/89/34/985998934.db2.gz BUDCJDIUICJBCU-FQEVSTJZSA-N 1 0 423.488 3.817 20 30 HHEDRO CC(C)n1cc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000463118068 986083118 /nfs/dbraw/zinc/08/31/18/986083118.db2.gz JKJFKSILBUPLDR-UHFFFAOYSA-N 1 0 417.351 3.907 20 30 HHEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463363129 986329420 /nfs/dbraw/zinc/32/94/20/986329420.db2.gz WOSMWFYPVFMDNI-HNNXBMFYSA-N 1 0 419.319 3.812 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000468648472 986361971 /nfs/dbraw/zinc/36/19/71/986361971.db2.gz PMNFZRYCQXMFJK-UHFFFAOYSA-N 1 0 404.558 3.755 20 30 HHEDRO C[N@H+](CCc1cccc(Br)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000463420586 986391449 /nfs/dbraw/zinc/39/14/49/986391449.db2.gz ADEAMQNZVUYDHA-INIZCTEOSA-N 1 0 404.333 3.662 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000463442218 986420759 /nfs/dbraw/zinc/42/07/59/986420759.db2.gz KNVFXHPRZUYCHS-SQJMNOBHSA-N 1 0 405.542 3.575 20 30 HHEDRO N#CCCCn1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c2ccccc21 ZINC000444310462 986493000 /nfs/dbraw/zinc/49/30/00/986493000.db2.gz PUUQNIKWWRPHQX-HXUWFJFHSA-N 1 0 408.546 3.662 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468825882 986535020 /nfs/dbraw/zinc/53/50/20/986535020.db2.gz DZCLGAYJEDCWLV-HXUWFJFHSA-N 1 0 417.340 3.735 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000463566438 986543239 /nfs/dbraw/zinc/54/32/39/986543239.db2.gz BYZICOIQUYKHRL-RTBURBONSA-N 1 0 416.562 3.612 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000444386645 986561295 /nfs/dbraw/zinc/56/12/95/986561295.db2.gz SLPGKAGILDSEFB-GOSISDBHSA-N 1 0 407.514 3.576 20 30 HHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000444390851 986567109 /nfs/dbraw/zinc/56/71/09/986567109.db2.gz XNVHCCPEYLVQHY-KRWDZBQOSA-N 1 0 409.555 3.627 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1 ZINC000444460636 986642934 /nfs/dbraw/zinc/64/29/34/986642934.db2.gz LFTSRFRWVFJCEF-UHFFFAOYSA-N 1 0 407.514 3.703 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)NC1(C#N)CCC1 ZINC000468952693 986656917 /nfs/dbraw/zinc/65/69/17/986656917.db2.gz KZVMTPDAIBPYKO-HOTGVXAUSA-N 1 0 408.477 3.680 20 30 HHEDRO COc1ccccc1NC(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000444494742 986691668 /nfs/dbraw/zinc/69/16/68/986691668.db2.gz BQELWSMXSPVKDG-UHFFFAOYSA-N 1 0 423.517 3.647 20 30 HHEDRO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H](C)O1 ZINC000469008359 986713043 /nfs/dbraw/zinc/71/30/43/986713043.db2.gz NMKYNGQEHRYRHO-VAMGGRTRSA-N 1 0 408.546 3.659 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)ccc1OCc1ccccc1 ZINC000469010087 986716431 /nfs/dbraw/zinc/71/64/31/986716431.db2.gz OJVBLQNECLRKCY-ROUUACIJSA-N 1 0 407.514 3.876 20 30 HHEDRO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(Cl)c1 ZINC000444532625 986720899 /nfs/dbraw/zinc/72/08/99/986720899.db2.gz UYKNBZNMEYASLI-GOSISDBHSA-N 1 0 400.954 3.515 20 30 HHEDRO C[C@@]1(CNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCC[N@@H+]1Cc1ccccc1 ZINC000469180449 986905433 /nfs/dbraw/zinc/90/54/33/986905433.db2.gz QJWOBJNQHMMJOR-DEOSSOPVSA-N 1 0 400.482 3.998 20 30 HHEDRO C=CC[C@@H]1[N@H+](CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CCCC1(C)C ZINC000444774000 986932400 /nfs/dbraw/zinc/93/24/00/986932400.db2.gz HDWCYIQUCCFTTD-FPOVZHCZSA-N 1 0 403.611 3.550 20 30 HHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCCC1(C)C ZINC000444782595 986938886 /nfs/dbraw/zinc/93/88/86/986938886.db2.gz JQFCMMXMPZAHKA-LJQANCHMSA-N 1 0 412.513 3.684 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444788168 986944004 /nfs/dbraw/zinc/94/40/04/986944004.db2.gz UCCBJFOQAWAIIE-FQEVSTJZSA-N 1 0 423.532 3.778 20 30 HHEDRO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCCC1(C)C ZINC000444794116 986948497 /nfs/dbraw/zinc/94/84/97/986948497.db2.gz UPWREGVHFIDGNF-HXUWFJFHSA-N 1 0 415.603 3.881 20 30 HHEDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000444812782 986967033 /nfs/dbraw/zinc/96/70/33/986967033.db2.gz OHSYXPJUUHQSIJ-UHFFFAOYSA-N 1 0 415.497 3.900 20 30 HHEDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000469287953 987004713 /nfs/dbraw/zinc/00/47/13/987004713.db2.gz RGJOJTGSCOMXSV-KKXNLOMOSA-N 1 0 422.529 3.579 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469338085 987044499 /nfs/dbraw/zinc/04/44/99/987044499.db2.gz NAVBPZPJSGIUJX-AUSIDOKSSA-N 1 0 417.557 3.987 20 30 HHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000469351775 987054234 /nfs/dbraw/zinc/05/42/34/987054234.db2.gz VMLUPPUNTBGBFI-ZIAGYGMSSA-N 1 0 408.340 3.839 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C ZINC000463938295 988048146 /nfs/dbraw/zinc/04/81/46/988048146.db2.gz RQSDNGZTZQRZMC-SEJPIABJSA-N 1 0 405.546 3.826 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)c1C ZINC000463945607 988056531 /nfs/dbraw/zinc/05/65/31/988056531.db2.gz NOKCGHCFUFMZGZ-SFHVURJKSA-N 1 0 420.557 3.805 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2CC[NH+](C3CC3)CC2)cc1C ZINC000470344437 988310685 /nfs/dbraw/zinc/31/06/85/988310685.db2.gz LSQLTMFBNBFCMU-UHFFFAOYSA-N 1 0 405.546 3.685 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000470476640 988465038 /nfs/dbraw/zinc/46/50/38/988465038.db2.gz KTHDMOVQNCBTKD-OAHLLOKOSA-N 1 0 412.452 3.596 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)ccc21 ZINC000470548862 988559564 /nfs/dbraw/zinc/55/95/64/988559564.db2.gz KZVDQUWBCDQWFO-NRFANRHFSA-N 1 0 423.561 3.656 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000464487517 988658912 /nfs/dbraw/zinc/65/89/12/988658912.db2.gz ONOXNSQTKAIBNS-OAQYLSRUSA-N 1 0 422.525 3.978 20 30 HHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000464614532 988793743 /nfs/dbraw/zinc/79/37/43/988793743.db2.gz DYEXCRCVVYMZKS-HNNXBMFYSA-N 1 0 420.479 3.784 20 30 HHEDRO C=CCOCCC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000470777527 988828552 /nfs/dbraw/zinc/82/85/52/988828552.db2.gz XHSQIWOQHOHNJD-UHFFFAOYSA-N 1 0 402.432 3.887 20 30 HHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470902350 988977090 /nfs/dbraw/zinc/97/70/90/988977090.db2.gz UDGHQOXTKDGZPJ-NRFANRHFSA-N 1 0 404.539 3.736 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000470992616 989057956 /nfs/dbraw/zinc/05/79/56/989057956.db2.gz IEIKXEMAWPDPSJ-PSWAGMNNSA-N 1 0 416.569 3.614 20 30 HHEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000470995434 989060868 /nfs/dbraw/zinc/06/08/68/989060868.db2.gz OXKNCMBLJWQTNH-JOCHJYFZSA-N 1 0 408.933 3.502 20 30 HHEDRO CN(CC(=O)Nc1ccccc1SCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836154 989079026 /nfs/dbraw/zinc/07/90/26/989079026.db2.gz JXBRFEVMIYRFJP-HXUWFJFHSA-N 1 0 408.571 3.695 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1C#N ZINC000464858504 989112984 /nfs/dbraw/zinc/11/29/84/989112984.db2.gz WXUJETLJPNNOQU-UTKZUKDTSA-N 1 0 410.493 3.544 20 30 HHEDRO CCC[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000471095541 989192423 /nfs/dbraw/zinc/19/24/23/989192423.db2.gz NKVGTSVKGGVSJG-RPWUZVMVSA-N 1 0 400.526 3.754 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000464965756 989266016 /nfs/dbraw/zinc/26/60/16/989266016.db2.gz VMODMIGNKJTQFA-NRFANRHFSA-N 1 0 420.557 3.579 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)c1ccccc1 ZINC000471369471 989543335 /nfs/dbraw/zinc/54/33/35/989543335.db2.gz ODVSPQIQEHVMQG-XZOQPEGZSA-N 1 0 419.573 3.677 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471382461 989561762 /nfs/dbraw/zinc/56/17/62/989561762.db2.gz PQPLZRWMHUHNKU-ZRZAMGCNSA-N 1 0 403.526 3.698 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)C2)n1 ZINC000471467928 989661364 /nfs/dbraw/zinc/66/13/64/989661364.db2.gz QDIMSWPCLTXEGV-NFBKMPQASA-N 1 0 419.573 3.505 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NC(=O)CCCOc3ccc(C#N)cc3OC)c2)CC1 ZINC000471631854 989839991 /nfs/dbraw/zinc/83/99/91/989839991.db2.gz CJXUFSOBJUBDSE-UHFFFAOYSA-N 1 0 422.529 3.506 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 ZINC000471797832 989982553 /nfs/dbraw/zinc/98/25/53/989982553.db2.gz JLKVBWQAWNXLAP-QHCPKHFHSA-N 1 0 419.573 3.636 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000465664590 990050320 /nfs/dbraw/zinc/05/03/20/990050320.db2.gz OSPHYXMZVZZQCU-RTWAWAEBSA-N 1 0 412.603 3.829 20 30 HHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471886812 990060517 /nfs/dbraw/zinc/06/05/17/990060517.db2.gz ULWPKJDMNVFTHW-HSZRJFAPSA-N 1 0 419.573 3.588 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@@H](C)C1 ZINC000466021634 991189006 /nfs/dbraw/zinc/18/90/06/991189006.db2.gz VVINALUHNNOEKZ-FCJDFRRUSA-N 1 0 412.578 3.605 20 30 HHEDRO C[C@@]1(CNC(=O)Nc2ncccc2OCCCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000466620400 991935984 /nfs/dbraw/zinc/93/59/84/991935984.db2.gz LZZDMFMEXZIQSC-QHCPKHFHSA-N 1 0 407.518 3.940 20 30 HHEDRO CCc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000466690326 992003931 /nfs/dbraw/zinc/00/39/31/992003931.db2.gz JTQOGARNUJKTHB-UHFFFAOYSA-N 1 0 416.529 3.902 20 30 HHEDRO N#Cc1cccc(CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000466806295 992115513 /nfs/dbraw/zinc/11/55/13/992115513.db2.gz LGWRCBBYGIUHLX-RPWUZVMVSA-N 1 0 402.542 3.797 20 30 HHEDRO N#Cc1cccc(CCNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000466811067 992120071 /nfs/dbraw/zinc/12/00/71/992120071.db2.gz DRUNEZSYHMIYGX-UHFFFAOYSA-N 1 0 402.542 3.798 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@H]1C ZINC000467148922 992464967 /nfs/dbraw/zinc/46/49/67/992464967.db2.gz NXHXDZZXPBBTQH-UTKZUKDTSA-N 1 0 407.562 3.709 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1C#N ZINC000467182800 992503961 /nfs/dbraw/zinc/50/39/61/992503961.db2.gz UTYHAMUMEJOGAX-JOCHJYFZSA-N 1 0 419.573 3.855 20 30 HHEDRO COc1ccc(-c2nc(CN3CC[NH+](CCCSCC#N)CC3)cs2)cc1 ZINC000467192154 992515939 /nfs/dbraw/zinc/51/59/39/992515939.db2.gz SKIMQZTUEFGONI-UHFFFAOYSA-N 1 0 402.589 3.583 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(C)C)c1C#N ZINC000472235776 993263835 /nfs/dbraw/zinc/26/38/35/993263835.db2.gz CCPXAPNTZCAWAP-IBGZPJMESA-N 1 0 412.534 3.693 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@@H]2C[NH+]2CCCC2)c1C#N ZINC000472243579 993271099 /nfs/dbraw/zinc/27/10/99/993271099.db2.gz SCILGGSHIYQMDC-HXUWFJFHSA-N 1 0 423.561 3.507 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472315006 993326744 /nfs/dbraw/zinc/32/67/44/993326744.db2.gz RKQRDZHWMBXVMA-RBBKRZOGSA-N 1 0 422.573 3.905 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000472355324 993355693 /nfs/dbraw/zinc/35/56/93/993355693.db2.gz WZXWJDVIULMSMO-ISJGIBHGSA-N 1 0 412.537 3.754 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000480737575 993603405 /nfs/dbraw/zinc/60/34/05/993603405.db2.gz PDWMWILVZSBVEW-QGZVFWFLSA-N 1 0 407.555 3.504 20 30 HHEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893687 993819851 /nfs/dbraw/zinc/81/98/51/993819851.db2.gz CHFFBRKUNMDNTK-WOJBJXKFSA-N 1 0 419.573 3.611 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000481217048 994049106 /nfs/dbraw/zinc/04/91/06/994049106.db2.gz CYQLCQCBWNIRSH-UHFFFAOYSA-N 1 0 409.555 3.946 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000473194513 994058072 /nfs/dbraw/zinc/05/80/72/994058072.db2.gz QFUYWYDBPCFYOL-IBGZPJMESA-N 1 0 401.576 3.537 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000481408390 994242672 /nfs/dbraw/zinc/24/26/72/994242672.db2.gz MWPTVNXWXDWIJH-UWJYYQICSA-N 1 0 412.509 3.526 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1Cl ZINC000473444626 994293170 /nfs/dbraw/zinc/29/31/70/994293170.db2.gz ZJEICKMONOKUCX-UHFFFAOYSA-N 1 0 415.896 3.749 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481589762 994434718 /nfs/dbraw/zinc/43/47/18/994434718.db2.gz VWDUJQCZZNVJRB-GOSISDBHSA-N 1 0 416.562 3.860 20 30 HHEDRO C=C(C)[C@H](N[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000481617678 994476893 /nfs/dbraw/zinc/47/68/93/994476893.db2.gz WFMQIUDVTHNFMG-WGGBDISSSA-N 1 0 413.512 3.951 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000481649228 994511736 /nfs/dbraw/zinc/51/17/36/994511736.db2.gz CWUPFTWVUCZAPX-DEOSSOPVSA-N 1 0 423.582 3.910 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000481649665 994513144 /nfs/dbraw/zinc/51/31/44/994513144.db2.gz HBAKRVKTXFJFDN-JBRSBNLGSA-N 1 0 414.553 3.514 20 30 HHEDRO Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481668979 994529536 /nfs/dbraw/zinc/52/95/36/994529536.db2.gz JOIADPZCXCUGLQ-LJQANCHMSA-N 1 0 406.530 3.803 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NC(=O)NCCSCc3ccccc3C#N)c2)CC1 ZINC000473819133 994746938 /nfs/dbraw/zinc/74/69/38/994746938.db2.gz NBDWWWMJFRJVPB-UHFFFAOYSA-N 1 0 423.586 3.755 20 30 HHEDRO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1OC ZINC000481917509 994789774 /nfs/dbraw/zinc/78/97/74/994789774.db2.gz HRZUAKRWOWBUNW-NRFANRHFSA-N 1 0 407.514 3.639 20 30 HHEDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473986338 994973438 /nfs/dbraw/zinc/97/34/38/994973438.db2.gz JLADEGWFUOTEQU-FCHUYYIVSA-N 1 0 417.513 3.901 20 30 HHEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000473987506 994974563 /nfs/dbraw/zinc/97/45/63/994974563.db2.gz OCPJTDKBVGSJDP-SFHVURJKSA-N 1 0 405.502 3.616 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1ccc(Br)cn1)C(C)C ZINC000474056891 995045551 /nfs/dbraw/zinc/04/55/51/995045551.db2.gz LNFDKDFLUMBYAU-CRAIPNDOSA-N 1 0 409.372 3.903 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000482169375 995128127 /nfs/dbraw/zinc/12/81/27/995128127.db2.gz MJUHEYCLFKRYKB-IHWFROFDSA-N 1 0 412.578 3.744 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3COc4ccc(Cl)cc43)CC2)cc1 ZINC000474363436 995343003 /nfs/dbraw/zinc/34/30/03/995343003.db2.gz UVEUTGUNIJKDKJ-FQEVSTJZSA-N 1 0 410.905 3.563 20 30 HHEDRO N#Cc1ccc(SCC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482402659 995388438 /nfs/dbraw/zinc/38/84/38/995388438.db2.gz SFSMAYLOXNZZTR-UHFFFAOYSA-N 1 0 423.582 3.838 20 30 HHEDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495370 995505691 /nfs/dbraw/zinc/50/56/91/995505691.db2.gz IJXOHDWYAJJCHI-GMAHTHKFSA-N 1 0 408.498 3.680 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000482500721 995510975 /nfs/dbraw/zinc/51/09/75/995510975.db2.gz RESGVIBRUHAVMG-UHFFFAOYSA-N 1 0 422.529 3.505 20 30 HHEDRO CCCc1c(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482512444 995523057 /nfs/dbraw/zinc/52/30/57/995523057.db2.gz RNGUGESUAVVSDY-PXNSSMCTSA-N 1 0 406.534 3.787 20 30 HHEDRO C[C@@H]1CN(Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000482547732 995555868 /nfs/dbraw/zinc/55/58/68/995555868.db2.gz GBZWVBZRBDUWKO-KDURUIRLSA-N 1 0 418.541 3.656 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2cnc3ccc(C#N)cn23)c1 ZINC000482675869 995668898 /nfs/dbraw/zinc/66/88/98/995668898.db2.gz DWZUOVVSAOMKFZ-INIZCTEOSA-N 1 0 420.492 3.770 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482695621 995687059 /nfs/dbraw/zinc/68/70/59/995687059.db2.gz SZPVUXVUMBGGBA-GCJKJVERSA-N 1 0 402.441 3.600 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482779221 995743261 /nfs/dbraw/zinc/74/32/61/995743261.db2.gz VJWOQEWTKDHHPE-XZOQPEGZSA-N 1 0 419.525 3.818 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000474879524 995773830 /nfs/dbraw/zinc/77/38/30/995773830.db2.gz SMFRUYBQVKFVBV-UHFFFAOYSA-N 1 0 421.541 3.756 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000474892656 995783263 /nfs/dbraw/zinc/78/32/63/995783263.db2.gz UMOSPBWWWLRBNN-UHFFFAOYSA-N 1 0 406.530 3.921 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000482924725 995854070 /nfs/dbraw/zinc/85/40/70/995854070.db2.gz DZDKUSZZDCLETD-UHFFFAOYSA-N 1 0 410.562 3.983 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(Br)cn2)c(OC)c1 ZINC000482954921 995878712 /nfs/dbraw/zinc/87/87/12/995878712.db2.gz DWXRBBWKVCQUCU-RHSMWYFYSA-N 1 0 421.335 3.672 20 30 HHEDRO COc1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000483036979 995934153 /nfs/dbraw/zinc/93/41/53/995934153.db2.gz PUHZSLISGIRIIF-HSZRJFAPSA-N 1 0 422.525 3.916 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000475218738 996003547 /nfs/dbraw/zinc/00/35/47/996003547.db2.gz ZHBASXHAVBLIMB-DEOSSOPVSA-N 1 0 406.505 3.895 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483281462 996078999 /nfs/dbraw/zinc/07/89/99/996078999.db2.gz NGBTTYLIJIXQQR-CQSZACIVSA-N 1 0 417.840 3.944 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccc(F)c(F)c1 ZINC000483287898 996081887 /nfs/dbraw/zinc/08/18/87/996081887.db2.gz DAKPAYOGJAZYCB-HMFYCAOWSA-N 1 0 420.548 3.782 20 30 HHEDRO N#Cc1ccsc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483492040 996215877 /nfs/dbraw/zinc/21/58/77/996215877.db2.gz NTLKSURGNHHMDE-SFTDATJTSA-N 1 0 408.571 3.935 20 30 HHEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2Cc2ccc(I)cc2)C1 ZINC000475632210 996264345 /nfs/dbraw/zinc/26/43/45/996264345.db2.gz DVBHDVJYIMYXJB-BHIYHBOVSA-N 1 0 423.342 3.928 20 30 HHEDRO CN(C(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1(C#N)CCCCC1 ZINC000475727172 996326947 /nfs/dbraw/zinc/32/69/47/996326947.db2.gz MAUAKGDMZLZCKE-XMMPIXPASA-N 1 0 408.590 3.659 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1csc(N(C)C2CC2)n1 ZINC000475728275 996328365 /nfs/dbraw/zinc/32/83/65/996328365.db2.gz AEDJCMCCOLSUEV-UHFFFAOYSA-N 1 0 418.636 3.840 20 30 HHEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000475728902 996328423 /nfs/dbraw/zinc/32/84/23/996328423.db2.gz VBULFUUZUJXMKR-HCXYKTFWSA-N 1 0 412.578 3.722 20 30 HHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475752496 996348993 /nfs/dbraw/zinc/34/89/93/996348993.db2.gz ZMYLVNMOXMKUCR-NBGIEHNGSA-N 1 0 402.542 3.873 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000483880834 996445331 /nfs/dbraw/zinc/44/53/31/996445331.db2.gz QESZFETUZMNOKC-UHFFFAOYSA-N 1 0 401.551 3.998 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000484299027 996687946 /nfs/dbraw/zinc/68/79/46/996687946.db2.gz ZDZZAQYJQOFWNE-KRWDZBQOSA-N 1 0 410.518 3.514 20 30 HHEDRO O=C(C[NH2+][C@H]1CCCc2c(O)cccc21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000484310254 996694605 /nfs/dbraw/zinc/69/46/05/996694605.db2.gz IEVWVJLGEDTZRX-IBGZPJMESA-N 1 0 402.416 3.546 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000484362486 996730462 /nfs/dbraw/zinc/73/04/62/996730462.db2.gz NKOKKJDRANISLU-INIZCTEOSA-N 1 0 412.559 3.707 20 30 HHEDRO Cc1ccc([C@H](Cn2ccnc2)NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000476410971 996871367 /nfs/dbraw/zinc/87/13/67/996871367.db2.gz FSCZGJASOCITAZ-IBGZPJMESA-N 1 0 414.918 3.745 20 30 HHEDRO C[C@H]1C[C@@H](CCNS(=O)(=O)CC2(C#N)CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000476424787 996892457 /nfs/dbraw/zinc/89/24/57/996892457.db2.gz HOVKDDWOWARFKD-PZJWPPBQSA-N 1 0 403.592 3.681 20 30 HHEDRO C=CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)CC1CCCCC1 ZINC000484665672 997004172 /nfs/dbraw/zinc/00/41/72/997004172.db2.gz VVVKXYRDABFQBP-FQEVSTJZSA-N 1 0 403.611 3.552 20 30 HHEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000484994023 997356289 /nfs/dbraw/zinc/35/62/89/997356289.db2.gz JFFVBBWDZKRATE-KKSFZXQISA-N 1 0 403.486 3.511 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@]4(CCCOC4)C3)sc2C1 ZINC000477043541 997679012 /nfs/dbraw/zinc/67/90/12/997679012.db2.gz NFGYSDQMONRCQU-AOMKIAJQSA-N 1 0 401.576 3.966 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000485293176 997695999 /nfs/dbraw/zinc/69/59/99/997695999.db2.gz XSFKILGIFAHJNY-KSFYIVLOSA-N 1 0 402.498 3.753 20 30 HHEDRO COc1ccc(Br)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485323729 997735988 /nfs/dbraw/zinc/73/59/88/997735988.db2.gz VNHZWKGGSNGOHB-SFHVURJKSA-N 1 0 414.303 3.615 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnn(-c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC000485350455 997771381 /nfs/dbraw/zinc/77/13/81/997771381.db2.gz SIZYTZJZVPKWHU-NRFANRHFSA-N 1 0 405.889 3.683 20 30 HHEDRO CCOc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000485377898 997804820 /nfs/dbraw/zinc/80/48/20/997804820.db2.gz BWSGOCBIGITAMM-SFHVURJKSA-N 1 0 415.440 3.844 20 30 HHEDRO N#Cc1cccc(OCCCN2CCC[N@H+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000477154500 997813967 /nfs/dbraw/zinc/81/39/67/997813967.db2.gz XYJUATGTICVATQ-UHFFFAOYSA-N 1 0 418.541 3.676 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cccc(CC#N)c3)CC2)c1C ZINC000485385648 997813895 /nfs/dbraw/zinc/81/38/95/997813895.db2.gz SEEPXSWUHKLJLS-UHFFFAOYSA-N 1 0 406.530 3.510 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C(=O)N(C)C)cc1 ZINC000477162246 997824345 /nfs/dbraw/zinc/82/43/45/997824345.db2.gz LLUFUTMNABZFNV-UHFFFAOYSA-N 1 0 424.570 3.661 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CCc3ccc(C#N)cc3)CC2)c1C ZINC000485400379 997831417 /nfs/dbraw/zinc/83/14/17/997831417.db2.gz CAPIVCCHHRMTLY-UHFFFAOYSA-N 1 0 420.557 3.634 20 30 HHEDRO C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000485412406 997844342 /nfs/dbraw/zinc/84/43/42/997844342.db2.gz ZLOAUQCODRVWBU-CKUXNOBLSA-N 1 0 402.542 3.696 20 30 HHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1Oc1ccccc1 ZINC000477492898 998214055 /nfs/dbraw/zinc/21/40/55/998214055.db2.gz KLAKXQWSZCTQAA-ZDXQCDESSA-N 1 0 402.498 3.673 20 30 HHEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000485825740 998292683 /nfs/dbraw/zinc/29/26/83/998292683.db2.gz VONZULUWGNGSOZ-QGZVFWFLSA-N 1 0 402.947 3.924 20 30 HHEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000485825737 998292714 /nfs/dbraw/zinc/29/27/14/998292714.db2.gz VONZULUWGNGSOZ-KRWDZBQOSA-N 1 0 402.947 3.924 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000477745259 998487968 /nfs/dbraw/zinc/48/79/68/998487968.db2.gz QBAQWFRVEZXGHE-ACRUOGEOSA-N 1 0 407.505 3.649 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)CSc3ccc(C#N)cc3)CC2)cc1 ZINC000486155317 998604576 /nfs/dbraw/zinc/60/45/76/998604576.db2.gz UYKBFLRUUJQFNI-UHFFFAOYSA-N 1 0 409.555 3.687 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000477875909 998623226 /nfs/dbraw/zinc/62/32/26/998623226.db2.gz JUCDJHAYJRELLM-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO C=CCSc1ccccc1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000486231354 998664393 /nfs/dbraw/zinc/66/43/93/998664393.db2.gz VCBOQQVKHYXYKR-UHFFFAOYSA-N 1 0 423.582 3.720 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[NH+](C3CCCCC3)CC2)sc2c1CCCC2 ZINC000486245494 998672497 /nfs/dbraw/zinc/67/24/97/998672497.db2.gz XVYXVPYTEVCKNO-UHFFFAOYSA-N 1 0 400.592 3.777 20 30 HHEDRO N#CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000486311116 998706689 /nfs/dbraw/zinc/70/66/89/998706689.db2.gz LZCNQNPQUKJPKO-HXUWFJFHSA-N 1 0 405.498 3.617 20 30 HHEDRO Cn1cc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)c(-c2ccc(C#N)cc2)n1 ZINC000478326813 998890233 /nfs/dbraw/zinc/89/02/33/998890233.db2.gz VVTCRIJJAVFWKE-UHFFFAOYSA-N 1 0 401.392 3.541 20 30 HHEDRO Cc1cc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000478332701 998894585 /nfs/dbraw/zinc/89/45/85/998894585.db2.gz DFTBKWDRTURRCV-XMMPIXPASA-N 1 0 413.525 3.693 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478344333 998904283 /nfs/dbraw/zinc/90/42/83/998904283.db2.gz PBPCYNZRZJQMCD-LJQANCHMSA-N 1 0 413.610 3.849 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](c2ccccc2)C1 ZINC000478374044 998923402 /nfs/dbraw/zinc/92/34/02/998923402.db2.gz SMQYKEJSQVOVQA-RTWAWAEBSA-N 1 0 401.466 3.558 20 30 HHEDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](c2ccccc2)C1 ZINC000478374043 998923545 /nfs/dbraw/zinc/92/35/45/998923545.db2.gz SMQYKEJSQVOVQA-NHCUHLMSSA-N 1 0 401.466 3.558 20 30 HHEDRO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1OCc1cccc(C#N)c1 ZINC000486791660 998941640 /nfs/dbraw/zinc/94/16/40/998941640.db2.gz OJLWJVCMQOZKQK-NZQKXSOJSA-N 1 0 410.539 3.852 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486843458 998968421 /nfs/dbraw/zinc/96/84/21/998968421.db2.gz RJMRWGDDWFEJHU-PZVOEZMOSA-N 1 0 421.545 3.533 20 30 HHEDRO CCOc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCC(C)C ZINC000486859122 998977634 /nfs/dbraw/zinc/97/76/34/998977634.db2.gz XQXCOHVLTYJXIA-QFIPXVFZSA-N 1 0 421.541 3.882 20 30 HHEDRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s2)cc1 ZINC000486861061 998978329 /nfs/dbraw/zinc/97/83/29/998978329.db2.gz XDVBAVHUBXHBQU-NRFANRHFSA-N 1 0 402.523 3.881 20 30 HHEDRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000486878238 998987123 /nfs/dbraw/zinc/98/71/23/998987123.db2.gz HJFBTPYKRVXPBH-QHCPKHFHSA-N 1 0 412.493 3.520 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000478716633 999104052 /nfs/dbraw/zinc/10/40/52/999104052.db2.gz GOVVTGGNEBJPGD-UHFFFAOYSA-N 1 0 421.541 3.535 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000487267394 999118164 /nfs/dbraw/zinc/11/81/64/999118164.db2.gz KKOKKXUACDZSAD-KNQAVFIVSA-N 1 0 408.542 3.829 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000478748474 999120579 /nfs/dbraw/zinc/12/05/79/999120579.db2.gz IYTKECLGUFAPOG-SFHVURJKSA-N 1 0 421.541 3.866 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487353848 999144392 /nfs/dbraw/zinc/14/43/92/999144392.db2.gz KRQSXDGZVIZGRS-SIKLNZKXSA-N 1 0 421.541 3.753 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000478805938 999150071 /nfs/dbraw/zinc/15/00/71/999150071.db2.gz KWJIBRHAXLIXJA-UHFFFAOYSA-N 1 0 410.566 3.611 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000479039764 999261316 /nfs/dbraw/zinc/26/13/16/999261316.db2.gz AWZRFRBURKGXQS-UHFFFAOYSA-N 1 0 407.514 3.970 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487875192 999301321 /nfs/dbraw/zinc/30/13/21/999301321.db2.gz GWVGWCBVRSHCTI-UHFFFAOYSA-N 1 0 423.355 3.675 20 30 HHEDRO N#Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Br ZINC000487932021 999320129 /nfs/dbraw/zinc/32/01/29/999320129.db2.gz GFOGDKXYBYTNAF-RDTXWAMCSA-N 1 0 403.324 3.801 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000487965292 999329877 /nfs/dbraw/zinc/32/98/77/999329877.db2.gz DODGFDLPRORCDE-UHFFFAOYSA-N 1 0 417.307 3.583 20 30 HHEDRO CSc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1NC(C)=O ZINC000479217396 999329929 /nfs/dbraw/zinc/32/99/29/999329929.db2.gz OMSVYSWOGBJWKR-UHFFFAOYSA-N 1 0 422.554 3.655 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487972299 999332523 /nfs/dbraw/zinc/33/25/23/999332523.db2.gz YDIIDUBMUNTPMA-UHFFFAOYSA-N 1 0 417.307 3.583 20 30 HHEDRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479240587 999340720 /nfs/dbraw/zinc/34/07/20/999340720.db2.gz HFKRGRFVQPXFDO-XMSQKQJNSA-N 1 0 416.525 3.569 20 30 HHEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1F ZINC000479303898 999375453 /nfs/dbraw/zinc/37/54/53/999375453.db2.gz CCJATCRZSITJGB-UHFFFAOYSA-N 1 0 417.488 3.608 20 30 HHEDRO N#CC1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479346766 999396477 /nfs/dbraw/zinc/39/64/77/999396477.db2.gz PWMDMBDRFYZHMG-UHFFFAOYSA-N 1 0 401.432 3.922 20 30 HHEDRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000479456232 999426039 /nfs/dbraw/zinc/42/60/39/999426039.db2.gz RRXUGUDNNWVPPA-QHCPKHFHSA-N 1 0 412.493 3.914 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)c(F)c1 ZINC000488464556 999495131 /nfs/dbraw/zinc/49/51/31/999495131.db2.gz JXBNFRLWOLUZSB-YJYMSZOUSA-N 1 0 416.294 3.912 20 30 HHEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466080 999496052 /nfs/dbraw/zinc/49/60/52/999496052.db2.gz PCJRELOWFCUXAL-FDDCHVKYSA-N 1 0 418.541 3.789 20 30 HHEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488497507 999508029 /nfs/dbraw/zinc/50/80/29/999508029.db2.gz MCHUEGCPQXJRHA-YWZLYKJASA-N 1 0 401.432 3.899 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000488510814 999512917 /nfs/dbraw/zinc/51/29/17/999512917.db2.gz CNPQQEBQCJQQET-KNQAVFIVSA-N 1 0 408.542 3.829 20 30 HHEDRO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)cc1 ZINC000488758317 999598786 /nfs/dbraw/zinc/59/87/86/999598786.db2.gz CWYLEQVCTPEIBX-FQEVSTJZSA-N 1 0 403.935 3.636 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488920639 999647263 /nfs/dbraw/zinc/64/72/63/999647263.db2.gz RALGUUZQXGWYDX-VQIMIIECSA-N 1 0 401.507 3.543 20 30 HHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000488937869 999652168 /nfs/dbraw/zinc/65/21/68/999652168.db2.gz JQIHTZLTTFQBRX-UHFFFAOYSA-N 1 0 415.534 3.940 20 30 HHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Br)c(C)ccc32)C[C@@H]1[NH+](C)C ZINC000480087785 999713764 /nfs/dbraw/zinc/71/37/64/999713764.db2.gz CYSYEWFEADBGLM-LSDHHAIUSA-N 1 0 405.365 3.659 20 30 HHEDRO CS[C@H]1CN(c2c(C#N)cnc3c(Br)c(C)ccc32)C[C@@H]1[NH+](C)C ZINC000480087783 999713827 /nfs/dbraw/zinc/71/38/27/999713827.db2.gz CYSYEWFEADBGLM-GJZGRUSLSA-N 1 0 405.365 3.659 20 30 HHEDRO COCC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@H]1CCO[C@H]1C ZINC000489409265 999760969 /nfs/dbraw/zinc/76/09/69/999760969.db2.gz GLPAABLSDZLSTN-AVRDEDQJSA-N 1 0 410.514 3.772 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000489539529 999787880 /nfs/dbraw/zinc/78/78/80/999787880.db2.gz YPXDENOOMGMVBW-XMSQKQJNSA-N 1 0 406.530 3.635 20 30 HHEDRO CC[C@H](C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000480394709 999788638 /nfs/dbraw/zinc/78/86/38/999788638.db2.gz OWSWZNPUPFKPLX-CYFREDJKSA-N 1 0 406.574 3.882 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489778063 999836440 /nfs/dbraw/zinc/83/64/40/999836440.db2.gz KVXMDRJKCKMFJA-UHFFFAOYSA-N 1 0 420.557 3.635 20 30 HHEDRO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)n2)CC1 ZINC000490019571 999878706 /nfs/dbraw/zinc/87/87/06/999878706.db2.gz JVLWKPDNUUEDOK-UHFFFAOYSA-N 1 0 415.497 3.853 20 30 HHEDRO COc1cc(N[C@H]2CCC[N@H+](CCOc3ccc(C#N)cc3OC)C2)cc(OC)c1 ZINC000490019700 999878798 /nfs/dbraw/zinc/87/87/98/999878798.db2.gz PNTKIYDAGXSVPB-SFHVURJKSA-N 1 0 411.502 3.539 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(C#N)cc3Cl)cc2)CC1 ZINC000490372902 999946848 /nfs/dbraw/zinc/94/68/48/999946848.db2.gz PEKDBKOXHONBCH-UHFFFAOYSA-N 1 0 424.932 3.698 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000490397445 999950984 /nfs/dbraw/zinc/95/09/84/999950984.db2.gz GMQGCKJBEZKXPZ-KRWDZBQOSA-N 1 0 405.468 3.665 20 30 HHEDRO COC(=O)[C@@H](C)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000491139440 1000049380 /nfs/dbraw/zinc/04/93/80/1000049380.db2.gz ISJPPGJVPLAYQJ-SFHVURJKSA-N 1 0 402.498 3.770 20 30 HHEDRO Cn1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491248970 1000058829 /nfs/dbraw/zinc/05/88/29/1000058829.db2.gz LOJBOYXWACPQHD-UHFFFAOYSA-N 1 0 408.509 3.829 20 30 HHEDRO C=CCc1cc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc(OC)c1O ZINC000492103083 1000109765 /nfs/dbraw/zinc/10/97/65/1000109765.db2.gz HDSDYQZNIFOPPD-KRWDZBQOSA-N 1 0 410.283 3.854 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1OC ZINC000492257011 1000118464 /nfs/dbraw/zinc/11/84/64/1000118464.db2.gz IPZLGJKFRARWNV-KRWDZBQOSA-N 1 0 410.283 3.985 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000493833063 1000196082 /nfs/dbraw/zinc/19/60/82/1000196082.db2.gz BGGWQNOLJCKZAD-UHFFFAOYSA-N 1 0 412.534 3.693 20 30 HHEDRO COc1ccc(-c2noc([C@@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000493890079 1000202668 /nfs/dbraw/zinc/20/26/68/1000202668.db2.gz ALARMXOHYNZXIT-GOSISDBHSA-N 1 0 417.513 3.886 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493918241 1000213832 /nfs/dbraw/zinc/21/38/32/1000213832.db2.gz BFBJLZOMCSAJBH-UHFFFAOYSA-N 1 0 407.514 3.638 20 30 HHEDRO CN1C(=O)C[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494272415 1000403496 /nfs/dbraw/zinc/40/34/96/1000403496.db2.gz YUHDMLGZCQCZQI-ICSRJNTNSA-N 1 0 408.370 3.897 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1C ZINC000494542129 1000545868 /nfs/dbraw/zinc/54/58/68/1000545868.db2.gz MUAUMFXUZWCPSS-DEOSSOPVSA-N 1 0 405.542 3.922 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000505154418 1000582665 /nfs/dbraw/zinc/58/26/65/1000582665.db2.gz HRQAVIJCHIUWJJ-OAQYLSRUSA-N 1 0 407.489 3.691 20 30 HHEDRO CC(C)CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000494751212 1000633846 /nfs/dbraw/zinc/63/38/46/1000633846.db2.gz JLERNJOGXPXDPT-IBGZPJMESA-N 1 0 412.578 3.867 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c(OC)c1 ZINC000505287566 1000673277 /nfs/dbraw/zinc/67/32/77/1000673277.db2.gz MRPOANZPANEZJS-IBGZPJMESA-N 1 0 415.534 3.549 20 30 HHEDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494996189 1000768927 /nfs/dbraw/zinc/76/89/27/1000768927.db2.gz KZXAPTXYDGTLKV-GHTZIAJQSA-N 1 0 412.578 3.867 20 30 HHEDRO C=CCOc1ccc(CNC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000505750893 1001006021 /nfs/dbraw/zinc/00/60/21/1001006021.db2.gz NSQLAQWHYSFCEM-HSZRJFAPSA-N 1 0 409.530 3.896 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000505789199 1001024520 /nfs/dbraw/zinc/02/45/20/1001024520.db2.gz ZZLYZGCADWECMH-KOSHJBKYSA-N 1 0 413.562 3.796 20 30 HHEDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000505790067 1001025148 /nfs/dbraw/zinc/02/51/48/1001025148.db2.gz KOTZGSJOFWXWPU-MRXNPFEDSA-N 1 0 416.953 3.511 20 30 HHEDRO Cc1ccc(SCCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000505813023 1001040021 /nfs/dbraw/zinc/04/00/21/1001040021.db2.gz RCWOOJZOZREEOS-UHFFFAOYSA-N 1 0 408.571 3.876 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000505871231 1001072068 /nfs/dbraw/zinc/07/20/68/1001072068.db2.gz IZONOEAGOHLQEX-HSZRJFAPSA-N 1 0 421.541 3.706 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000496397355 1001170673 /nfs/dbraw/zinc/17/06/73/1001170673.db2.gz WOJMUAGIUNAMPB-UHFFFAOYSA-N 1 0 422.476 3.812 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000506206775 1001278451 /nfs/dbraw/zinc/27/84/51/1001278451.db2.gz MXWWWZWGQHNCRM-DEOSSOPVSA-N 1 0 413.562 3.619 20 30 HHEDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1OCCCC#N ZINC000506247665 1001304803 /nfs/dbraw/zinc/30/48/03/1001304803.db2.gz SNKFQDGUVCQNLJ-UHFFFAOYSA-N 1 0 407.514 3.772 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H](c2ccccc2)C1 ZINC000497415499 1001350395 /nfs/dbraw/zinc/35/03/95/1001350395.db2.gz HILFWNQMAQCSOJ-DQEYMECFSA-N 1 0 411.505 3.965 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c1 ZINC000506326874 1001356631 /nfs/dbraw/zinc/35/66/31/1001356631.db2.gz QUAFJKJDJFFDJZ-UHFFFAOYSA-N 1 0 424.520 3.685 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000506452465 1001420035 /nfs/dbraw/zinc/42/00/35/1001420035.db2.gz DYYCLVJCDPOBFM-HNNXBMFYSA-N 1 0 407.917 3.719 20 30 HHEDRO C=CCOc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)c1 ZINC000506769017 1001520914 /nfs/dbraw/zinc/52/09/14/1001520914.db2.gz XTQAAEWYRRQOEN-RPWUZVMVSA-N 1 0 416.525 3.839 20 30 HHEDRO C=CCOc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1OC ZINC000498268079 1001743602 /nfs/dbraw/zinc/74/36/02/1001743602.db2.gz LWDAQMWJSOZYNE-RTBURBONSA-N 1 0 424.541 3.799 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(-c2cccc(Cl)c2)c1C)C(C)C ZINC000498378611 1001808559 /nfs/dbraw/zinc/80/85/59/1001808559.db2.gz WBNBQXXYSBGNNA-LJQANCHMSA-N 1 0 401.942 3.658 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C(C)C ZINC000498379253 1001809144 /nfs/dbraw/zinc/80/91/44/1001809144.db2.gz XWLDRTCVYMKBSP-IEBWSBKVSA-N 1 0 421.994 3.958 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507329538 1002004867 /nfs/dbraw/zinc/00/48/67/1002004867.db2.gz LZKDZMRWCOXBAA-RTBURBONSA-N 1 0 412.578 3.868 20 30 HHEDRO COC(=O)[C@@H](C)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000507363200 1002024408 /nfs/dbraw/zinc/02/44/08/1002024408.db2.gz VDWGANAHWUKTBD-INIZCTEOSA-N 1 0 413.905 3.852 20 30 HHEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507426618 1002066286 /nfs/dbraw/zinc/06/62/86/1002066286.db2.gz HMXRADZRLBDFHX-HTAPYJJXSA-N 1 0 404.514 3.623 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(c4ccc(F)cc4F)CC3)C2=O)cc1 ZINC000507430402 1002067395 /nfs/dbraw/zinc/06/73/95/1002067395.db2.gz SSCOAKCDGDAWRL-OAQYLSRUSA-N 1 0 410.468 3.590 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507599896 1002206661 /nfs/dbraw/zinc/20/66/61/1002206661.db2.gz MOCFQBPOAQWTHV-UHFFFAOYSA-N 1 0 404.514 3.514 20 30 HHEDRO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1CC(F)F ZINC000498937325 1002336624 /nfs/dbraw/zinc/33/66/24/1002336624.db2.gz QCTNQQCVNIFUEH-HNNXBMFYSA-N 1 0 424.561 3.879 20 30 HHEDRO COc1ccccc1C(C)(C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000507820007 1002365018 /nfs/dbraw/zinc/36/50/18/1002365018.db2.gz YRXGDZDXJDXHMR-UHFFFAOYSA-N 1 0 404.432 3.707 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)c1ccccc1 ZINC000508297757 1002803408 /nfs/dbraw/zinc/80/34/08/1002803408.db2.gz DSPHTXSROYYUER-UHFFFAOYSA-N 1 0 424.589 3.876 20 30 HHEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508466712 1002951898 /nfs/dbraw/zinc/95/18/98/1002951898.db2.gz VRNSJRRKVBDKGF-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508507766 1002989660 /nfs/dbraw/zinc/98/96/60/1002989660.db2.gz UWWKBNOWUMQJSM-UHFFFAOYSA-N 1 0 404.562 3.991 20 30 HHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000499655348 1003016393 /nfs/dbraw/zinc/01/63/93/1003016393.db2.gz GSMDUCNRLBEXPY-UHFFFAOYSA-N 1 0 402.458 3.762 20 30 HHEDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499725352 1003072828 /nfs/dbraw/zinc/07/28/28/1003072828.db2.gz LOCVQWYAWIHYDH-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000508669773 1003109555 /nfs/dbraw/zinc/10/95/55/1003109555.db2.gz JPEDKVKDJJHSDN-BVKOHWRASA-N 1 0 410.562 3.681 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000508669774 1003109580 /nfs/dbraw/zinc/10/95/80/1003109580.db2.gz JPEDKVKDJJHSDN-HKKHYUGTSA-N 1 0 410.562 3.681 20 30 HHEDRO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508687855 1003126044 /nfs/dbraw/zinc/12/60/44/1003126044.db2.gz MXJHIMYJWRKXCC-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508739868 1003177980 /nfs/dbraw/zinc/17/79/80/1003177980.db2.gz MIPFNOZKZCLDQE-OAQYLSRUSA-N 1 0 409.578 3.972 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508794691 1003222611 /nfs/dbraw/zinc/22/26/11/1003222611.db2.gz LTFPTVHXGWGIPZ-KRWDZBQOSA-N 1 0 403.958 3.865 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000508801579 1003229387 /nfs/dbraw/zinc/22/93/87/1003229387.db2.gz LZGFCRXNXZTUIU-UNMCSNQZSA-N 1 0 409.578 3.555 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508845579 1003266562 /nfs/dbraw/zinc/26/65/62/1003266562.db2.gz OIOGIAZRFBHDNM-LJQANCHMSA-N 1 0 404.518 3.851 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508850878 1003271533 /nfs/dbraw/zinc/27/15/33/1003271533.db2.gz WOVKIZJXCRARMU-HXUWFJFHSA-N 1 0 422.577 3.645 20 30 HHEDRO C=CCn1c(CC2CCCC2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000508858921 1003278558 /nfs/dbraw/zinc/27/85/58/1003278558.db2.gz UFVDWIMPDWOXSK-UHFFFAOYSA-N 1 0 401.599 3.526 20 30 HHEDRO C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508862254 1003282003 /nfs/dbraw/zinc/28/20/03/1003282003.db2.gz DATIUNQMQJTPMX-UHFFFAOYSA-N 1 0 405.502 3.588 20 30 HHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508880041 1003301022 /nfs/dbraw/zinc/30/10/22/1003301022.db2.gz JPIFODWJDDODFU-QHCPKHFHSA-N 1 0 415.541 3.771 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508897577 1003329561 /nfs/dbraw/zinc/32/95/61/1003329561.db2.gz NYBJOUNZBRIIQQ-AUSIDOKSSA-N 1 0 408.546 3.716 20 30 HHEDRO C=CCN1CC[C@H]([N@H+](C)CCCC(=O)Nc2c(C)cc(Br)cc2C)C1=O ZINC000500022369 1003349106 /nfs/dbraw/zinc/34/91/06/1003349106.db2.gz ATLQBAWWNAECBZ-KRWDZBQOSA-N 1 0 422.367 3.503 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508913705 1003353476 /nfs/dbraw/zinc/35/34/76/1003353476.db2.gz QBZQPHNIFDPRQE-UHFFFAOYSA-N 1 0 413.591 3.830 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508919263 1003358433 /nfs/dbraw/zinc/35/84/33/1003358433.db2.gz QIFOZYRFOFFGFD-LJQANCHMSA-N 1 0 403.534 3.586 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccc2)nc1 ZINC000508939367 1003389453 /nfs/dbraw/zinc/38/94/53/1003389453.db2.gz AOMYSBVGOXJGPO-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000508965783 1003432614 /nfs/dbraw/zinc/43/26/14/1003432614.db2.gz NGCWOOPQQRRREJ-UHFFFAOYSA-N 1 0 406.530 3.554 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508997425 1003468835 /nfs/dbraw/zinc/46/88/35/1003468835.db2.gz JXPBHSJYNQSADQ-UHFFFAOYSA-N 1 0 403.477 3.797 20 30 HHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000509009939 1003480858 /nfs/dbraw/zinc/48/08/58/1003480858.db2.gz GDNDKSSETDFWQY-OYRHEFFESA-N 1 0 414.642 3.582 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000500155571 1003510480 /nfs/dbraw/zinc/51/04/80/1003510480.db2.gz KEKLCRWUINBYNB-LJQANCHMSA-N 1 0 416.541 3.618 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000509150464 1003587314 /nfs/dbraw/zinc/58/73/14/1003587314.db2.gz HJMFALIJYYLQDE-GOSISDBHSA-N 1 0 414.456 3.860 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)cc1 ZINC000509348370 1003721088 /nfs/dbraw/zinc/72/10/88/1003721088.db2.gz OELNENVROIQZPG-DEOSSOPVSA-N 1 0 418.541 3.948 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000509375171 1003802348 /nfs/dbraw/zinc/80/23/48/1003802348.db2.gz XBAQIHBUWODNQC-DEOSSOPVSA-N 1 0 418.541 3.948 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511847254 1003826247 /nfs/dbraw/zinc/82/62/47/1003826247.db2.gz PXJCSDXOGAHLJY-BEFAXECRSA-N 1 0 417.431 3.735 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000500825168 1003984002 /nfs/dbraw/zinc/98/40/02/1003984002.db2.gz YWDCWYPRZPSPQQ-QGZVFWFLSA-N 1 0 415.534 3.691 20 30 HHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000512055636 1003987168 /nfs/dbraw/zinc/98/71/68/1003987168.db2.gz YLGBYCXHOYXCTO-UHFFFAOYSA-N 1 0 419.525 3.756 20 30 HHEDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000512074819 1004002779 /nfs/dbraw/zinc/00/27/79/1004002779.db2.gz VCNHFQFBMSIJNW-ZRCGQRJVSA-N 1 0 407.562 3.537 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512147548 1004057118 /nfs/dbraw/zinc/05/71/18/1004057118.db2.gz LELQMBUHGTWOIV-AVRDEDQJSA-N 1 0 419.573 3.522 20 30 HHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000512230719 1004130438 /nfs/dbraw/zinc/13/04/38/1004130438.db2.gz WPDYVEMKUANOIA-OAHLLOKOSA-N 1 0 400.302 3.897 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000512275158 1004175904 /nfs/dbraw/zinc/17/59/04/1004175904.db2.gz DIMIQRMNDZDSDK-VWLOTQADSA-N 1 0 402.542 3.531 20 30 HHEDRO N#CCSc1ccccc1NC(=O)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512278805 1004179912 /nfs/dbraw/zinc/17/99/12/1004179912.db2.gz RODBMODVYDFTEM-DEOSSOPVSA-N 1 0 420.582 3.839 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000512281959 1004184187 /nfs/dbraw/zinc/18/41/87/1004184187.db2.gz PSJUZFVYWPGKND-SFHVURJKSA-N 1 0 408.521 3.649 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512285413 1004188015 /nfs/dbraw/zinc/18/80/15/1004188015.db2.gz IBRVMSHGEZSOHG-MHECFPHRSA-N 1 0 406.530 3.693 20 30 HHEDRO COc1cccc(C2([NH2+]CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)c1 ZINC000510106940 1004328845 /nfs/dbraw/zinc/32/88/45/1004328845.db2.gz WJSHTUAVZJWBSN-UHFFFAOYSA-N 1 0 418.497 3.844 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512511795 1004352333 /nfs/dbraw/zinc/35/23/33/1004352333.db2.gz LWRLFNIZESDBTJ-URXFXBBRSA-N 1 0 423.605 3.621 20 30 HHEDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000512531154 1004364508 /nfs/dbraw/zinc/36/45/08/1004364508.db2.gz DKXBMEIYNSRPQJ-FPOVZHCZSA-N 1 0 407.562 3.981 20 30 HHEDRO C[C@H](CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C[NH+]1CCCC1 ZINC000510234812 1004414202 /nfs/dbraw/zinc/41/42/02/1004414202.db2.gz FDQQSXGMGNLRSR-CQSZACIVSA-N 1 0 416.576 3.555 20 30 HHEDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000512660402 1004471105 /nfs/dbraw/zinc/47/11/05/1004471105.db2.gz MTKGGZDTFZBEPL-ZDUSSCGKSA-N 1 0 404.283 3.931 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)cc1OC ZINC000512667243 1004477247 /nfs/dbraw/zinc/47/72/47/1004477247.db2.gz OOHYRVATAHLRAN-HNNXBMFYSA-N 1 0 411.477 3.670 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000501520781 1004486067 /nfs/dbraw/zinc/48/60/67/1004486067.db2.gz WZMIILXCESLHOB-INIZCTEOSA-N 1 0 403.276 3.822 20 30 HHEDRO CCCn1nccc1C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000501548766 1004507766 /nfs/dbraw/zinc/50/77/66/1004507766.db2.gz GDCULXBMBSZYGS-UHFFFAOYSA-N 1 0 411.575 3.923 20 30 HHEDRO C[NH+](C)C1(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCCCCC1 ZINC000510371914 1004516779 /nfs/dbraw/zinc/51/67/79/1004516779.db2.gz BVULWLZRLOPPIB-UHFFFAOYSA-N 1 0 413.566 3.597 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512755293 1004538564 /nfs/dbraw/zinc/53/85/64/1004538564.db2.gz IGJPNRXZANWMIB-PZJWPPBQSA-N 1 0 417.619 3.842 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)NCCSCc2ccccc2C#N)[NH+]2CCCC2)o1 ZINC000510424560 1004557556 /nfs/dbraw/zinc/55/75/56/1004557556.db2.gz NQMKHUJIGCXYHB-FQEVSTJZSA-N 1 0 412.559 3.829 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510444762 1004571586 /nfs/dbraw/zinc/57/15/86/1004571586.db2.gz OVHVGSCGHHLXGV-QUCCMNQESA-N 1 0 417.513 3.627 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCCCN3C(=O)c4ccccc4C3=O)CC2)c(F)c1 ZINC000512845191 1004606958 /nfs/dbraw/zinc/60/69/58/1004606958.db2.gz RJTVJNNZGIJVFI-UHFFFAOYSA-N 1 0 421.472 3.617 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)c(F)c1 ZINC000512846099 1004607423 /nfs/dbraw/zinc/60/74/23/1004607423.db2.gz XPTVJVXQSSAPIQ-INIZCTEOSA-N 1 0 404.869 3.634 20 30 HHEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000512851463 1004614355 /nfs/dbraw/zinc/61/43/55/1004614355.db2.gz OQCLNXPERHPJQA-UHFFFAOYSA-N 1 0 401.526 3.825 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC2)c1 ZINC000510504911 1004626694 /nfs/dbraw/zinc/62/66/94/1004626694.db2.gz CIRXUJNGDRDFAF-UHFFFAOYSA-N 1 0 416.481 3.763 20 30 HHEDRO Cc1nc(COc2ccc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)cc2)no1 ZINC000510510054 1004633356 /nfs/dbraw/zinc/63/33/56/1004633356.db2.gz ZRYMMXBNJQFONG-UHFFFAOYSA-N 1 0 404.470 3.872 20 30 HHEDRO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510521342 1004646966 /nfs/dbraw/zinc/64/69/66/1004646966.db2.gz FVRMOLZESVBSMS-PKOBYXMFSA-N 1 0 400.592 3.744 20 30 HHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[NH+](C)C ZINC000510539896 1004672741 /nfs/dbraw/zinc/67/27/41/1004672741.db2.gz OCDHXQAICCJXMZ-NBGIEHNGSA-N 1 0 420.557 3.830 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510649827 1004778939 /nfs/dbraw/zinc/77/89/39/1004778939.db2.gz YENQVCNQMSEWLO-JOCHJYFZSA-N 1 0 421.541 3.549 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000513086778 1004798627 /nfs/dbraw/zinc/79/86/27/1004798627.db2.gz AXUSUCVPVGEEQP-IBGZPJMESA-N 1 0 422.464 3.825 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)c1 ZINC000510807075 1004865152 /nfs/dbraw/zinc/86/51/52/1004865152.db2.gz ALNKYBXQQZJZKY-OAQYLSRUSA-N 1 0 408.502 3.541 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1 ZINC000513231963 1004872336 /nfs/dbraw/zinc/87/23/36/1004872336.db2.gz YCSOMESZVIFIKQ-UHFFFAOYSA-N 1 0 424.548 3.903 20 30 HHEDRO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502189845 1004948128 /nfs/dbraw/zinc/94/81/28/1004948128.db2.gz WTXOTLILFPAHBQ-INIZCTEOSA-N 1 0 424.932 3.567 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000510970286 1004959222 /nfs/dbraw/zinc/95/92/22/1004959222.db2.gz RVDKAFAYTLBMRN-HSALFYBXSA-N 1 0 412.578 3.989 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000513465390 1004978495 /nfs/dbraw/zinc/97/84/95/1004978495.db2.gz OYXLCPKEBSRVSS-OAQYLSRUSA-N 1 0 408.521 3.938 20 30 HHEDRO CC(C)[NH+]1CCC(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCC3)CC1 ZINC000511020812 1004983147 /nfs/dbraw/zinc/98/31/47/1004983147.db2.gz ZZUVTEKMGVCARC-UHFFFAOYSA-N 1 0 424.570 3.783 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(-c2ccncc2)n1 ZINC000502307035 1005003096 /nfs/dbraw/zinc/00/30/96/1005003096.db2.gz DLWIGZPXWCNCOQ-HXUWFJFHSA-N 1 0 415.545 3.771 20 30 HHEDRO C=CCN(CC=C)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000502340530 1005021512 /nfs/dbraw/zinc/02/15/12/1005021512.db2.gz MGBJJYNXBGXALK-UHFFFAOYSA-N 1 0 410.484 3.601 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](c2ccnn2C)C1 ZINC000511120822 1005028619 /nfs/dbraw/zinc/02/86/19/1005028619.db2.gz MXGIVRZUGBGIAJ-HOTGVXAUSA-N 1 0 411.575 3.829 20 30 HHEDRO Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c(OCC[NH+](C)C)c1 ZINC000513605939 1005046143 /nfs/dbraw/zinc/04/61/43/1005046143.db2.gz FONNFVDOIYIIDW-UHFFFAOYSA-N 1 0 424.520 3.801 20 30 HHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000513667566 1005074370 /nfs/dbraw/zinc/07/43/70/1005074370.db2.gz SAADTBOOWGREPG-UIOOFZCWSA-N 1 0 418.585 3.796 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000511235600 1005085514 /nfs/dbraw/zinc/08/55/14/1005085514.db2.gz OFXBUWFFENZNAT-JOCHJYFZSA-N 1 0 418.541 3.776 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000511255293 1005094514 /nfs/dbraw/zinc/09/45/14/1005094514.db2.gz WNYIJQNWPJDZOO-AWEZNQCLSA-N 1 0 410.331 3.936 20 30 HHEDRO COc1ccc(NC(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000502510762 1005097239 /nfs/dbraw/zinc/09/72/39/1005097239.db2.gz LUBSHRXPPULOAR-UHFFFAOYSA-N 1 0 406.442 3.593 20 30 HHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502533032 1005106230 /nfs/dbraw/zinc/10/62/30/1005106230.db2.gz XMHVTYOLYXAXOC-FQEVSTJZSA-N 1 0 404.297 3.795 20 30 HHEDRO Cc1sc(NC(=O)C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c(C#N)c1C ZINC000502536675 1005108376 /nfs/dbraw/zinc/10/83/76/1005108376.db2.gz YIRQWHSYNBESOF-HXUWFJFHSA-N 1 0 403.935 3.820 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1Cl ZINC000502549194 1005113848 /nfs/dbraw/zinc/11/38/48/1005113848.db2.gz ZWBRTNNGKQYSRT-FQEVSTJZSA-N 1 0 404.297 3.795 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502765599 1005207090 /nfs/dbraw/zinc/20/70/90/1005207090.db2.gz DUAIVNVHYLHROF-UHFFFAOYSA-N 1 0 412.578 3.759 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000511564058 1005226687 /nfs/dbraw/zinc/22/66/87/1005226687.db2.gz ZGGGTCYCOXTIRO-UHFFFAOYSA-N 1 0 423.532 3.548 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C2CC[NH+](C(C)C)CC2)c1C#N ZINC000502897645 1005264885 /nfs/dbraw/zinc/26/48/85/1005264885.db2.gz YOPNLCRSZYERNO-UHFFFAOYSA-N 1 0 421.589 3.768 20 30 HHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000514127363 1005278884 /nfs/dbraw/zinc/27/88/84/1005278884.db2.gz UBRNCDNKMMGDQU-UXHICEINSA-N 1 0 422.367 3.565 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1)c1ccsc1 ZINC000502961545 1005293685 /nfs/dbraw/zinc/29/36/85/1005293685.db2.gz RXYOIYQPIZYAPF-NRFANRHFSA-N 1 0 407.543 3.927 20 30 HHEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1OC ZINC000511765201 1005313992 /nfs/dbraw/zinc/31/39/92/1005313992.db2.gz NQNWANGYXOKPIP-UHFFFAOYSA-N 1 0 401.551 3.856 20 30 HHEDRO Cc1cc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC000503087413 1005344125 /nfs/dbraw/zinc/34/41/25/1005344125.db2.gz KEWNWCPGCOJDHO-UHFFFAOYSA-N 1 0 413.525 3.789 20 30 HHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000503281463 1005382915 /nfs/dbraw/zinc/38/29/15/1005382915.db2.gz FFNZDXUJLODXKW-SFHVURJKSA-N 1 0 405.502 3.664 20 30 HHEDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1-c1cccc(C#N)c1 ZINC000503336157 1005392795 /nfs/dbraw/zinc/39/27/95/1005392795.db2.gz KVKDWZVUWJQJIX-AVRDEDQJSA-N 1 0 419.554 3.927 20 30 HHEDRO C[C@H]1C[C@]1([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000503381254 1005403429 /nfs/dbraw/zinc/40/34/29/1005403429.db2.gz XWMUKRMYRKNPCC-OYHNWAKOSA-N 1 0 405.889 3.861 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)C(C)C ZINC000503427704 1005417326 /nfs/dbraw/zinc/41/73/26/1005417326.db2.gz FDPGUXLHFFPGQC-IRLDBZIGSA-N 1 0 412.578 3.745 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H]2CCCC23CCOCC3)c1C#N ZINC000503432897 1005418998 /nfs/dbraw/zinc/41/89/98/1005418998.db2.gz IFPMBTHVEQTMNA-NRFANRHFSA-N 1 0 424.545 3.885 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000503506529 1005439936 /nfs/dbraw/zinc/43/99/36/1005439936.db2.gz PYHRVRQGJFMJFX-LPHOPBHVSA-N 1 0 417.962 3.885 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000503506530 1005439945 /nfs/dbraw/zinc/43/99/45/1005439945.db2.gz PYHRVRQGJFMJFX-QFBILLFUSA-N 1 0 417.962 3.885 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(OCc4ccccn4)c3)C2=O)cc1 ZINC000503925512 1005513262 /nfs/dbraw/zinc/51/32/62/1005513262.db2.gz HEKOBWKQSSBSHM-DEOSSOPVSA-N 1 0 412.493 3.817 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000504399924 1005619089 /nfs/dbraw/zinc/61/90/89/1005619089.db2.gz VAGWVLYGIWHSMT-UHFFFAOYSA-N 1 0 405.542 3.867 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H]1c1ccccc1 ZINC000534017644 1005987413 /nfs/dbraw/zinc/98/74/13/1005987413.db2.gz FIGOPZKKGLLNOD-OFNKIYASSA-N 1 0 401.466 3.905 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000534022644 1005994862 /nfs/dbraw/zinc/99/48/62/1005994862.db2.gz QITULJKRSVDBAX-VXKWHMMOSA-N 1 0 401.466 3.905 20 30 HHEDRO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1C ZINC000531217259 1006053508 /nfs/dbraw/zinc/05/35/08/1006053508.db2.gz CFPOVHKNAUQOMA-UHFFFAOYSA-N 1 0 414.513 3.919 20 30 HHEDRO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534099134 1006071083 /nfs/dbraw/zinc/07/10/83/1006071083.db2.gz GWAKXHXSFRZAEO-LLVKDONJSA-N 1 0 419.411 3.558 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1C#N ZINC000534099060 1006071613 /nfs/dbraw/zinc/07/16/13/1006071613.db2.gz USDPTUVILOCWOD-SFHVURJKSA-N 1 0 400.523 3.540 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1Cl ZINC000514877124 1006178565 /nfs/dbraw/zinc/17/85/65/1006178565.db2.gz GZUXDVACDHIJKA-UHFFFAOYSA-N 1 0 420.904 3.786 20 30 HHEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000514976916 1006234173 /nfs/dbraw/zinc/23/41/73/1006234173.db2.gz KXYRJMVMPMUQHR-QFIPXVFZSA-N 1 0 418.585 3.892 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000515020045 1006254565 /nfs/dbraw/zinc/25/45/65/1006254565.db2.gz MOGMJTORTJXZHM-LEWJYISDSA-N 1 0 404.514 3.943 20 30 HHEDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Br)c1 ZINC000534352915 1006314357 /nfs/dbraw/zinc/31/43/57/1006314357.db2.gz FYZCJXNOGGKUSC-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000534376811 1006345450 /nfs/dbraw/zinc/34/54/50/1006345450.db2.gz LGZKAHXESFSTSM-UHFFFAOYSA-N 1 0 406.530 3.779 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534381573 1006351661 /nfs/dbraw/zinc/35/16/61/1006351661.db2.gz YTCKIKAPJGDKTF-RDJZCZTQSA-N 1 0 401.576 3.964 20 30 HHEDRO C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000534384197 1006356530 /nfs/dbraw/zinc/35/65/30/1006356530.db2.gz KWLQHHQDYULJNK-CDNPAEQRSA-N 1 0 411.594 3.598 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)Nc2ccccc2SCC#N)C[C@H](C)O1 ZINC000515664788 1006579807 /nfs/dbraw/zinc/57/98/07/1006579807.db2.gz IDHKQGNMCAIJGC-HDICACEKSA-N 1 0 424.570 3.962 20 30 HHEDRO COc1cc(CN2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000538375418 1006646544 /nfs/dbraw/zinc/64/65/44/1006646544.db2.gz HRYNUTWCFZCHMG-NFBKMPQASA-N 1 0 411.571 3.623 20 30 HHEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000538390564 1006660218 /nfs/dbraw/zinc/66/02/18/1006660218.db2.gz SDQSSHKYAPIWPT-DCEJEGHYSA-N 1 0 411.546 3.818 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000532186050 1006705110 /nfs/dbraw/zinc/70/51/10/1006705110.db2.gz VOQJPWUITACBKO-UHFFFAOYSA-N 1 0 413.591 3.605 20 30 HHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000515830974 1006706163 /nfs/dbraw/zinc/70/61/63/1006706163.db2.gz DLIUGGZJTNKHFU-HXUWFJFHSA-N 1 0 403.448 3.529 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000538499308 1006767667 /nfs/dbraw/zinc/76/76/67/1006767667.db2.gz HCUXVVTXDQNSHH-UHFFFAOYSA-N 1 0 404.514 3.566 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1cccc(Cl)c1 ZINC000538577081 1006843443 /nfs/dbraw/zinc/84/34/43/1006843443.db2.gz KNWZSTRJJDPOSI-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000516107339 1006886769 /nfs/dbraw/zinc/88/67/69/1006886769.db2.gz XWRYZCWOOCOATF-QFIPXVFZSA-N 1 0 409.505 3.935 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2OCc2ccccc2Cl)c1C#N ZINC000516150602 1006919444 /nfs/dbraw/zinc/91/94/44/1006919444.db2.gz SOKUTWCIQXZSKU-UHFFFAOYSA-N 1 0 423.904 3.918 20 30 HHEDRO COc1cccc(CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]2CCCO2)c1 ZINC000532483560 1006923088 /nfs/dbraw/zinc/92/30/88/1006923088.db2.gz POXNPZCDYRCKLO-HXUWFJFHSA-N 1 0 413.905 3.840 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000532552834 1006983893 /nfs/dbraw/zinc/98/38/93/1006983893.db2.gz OQXYHMIFXBXBHK-IAGOWNOFSA-N 1 0 400.592 3.776 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+](C1CC1)C1CCCC1)CCCC2 ZINC000532563283 1006994987 /nfs/dbraw/zinc/99/49/87/1006994987.db2.gz XQCFAHQDEYUAFC-IBGZPJMESA-N 1 0 410.562 3.763 20 30 HHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000534954394 1006999083 /nfs/dbraw/zinc/99/90/83/1006999083.db2.gz UVDCUTNLBMGGLM-QGZVFWFLSA-N 1 0 411.333 3.549 20 30 HHEDRO COc1ccc(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OCCCC#N ZINC000538823193 1007096939 /nfs/dbraw/zinc/09/69/39/1007096939.db2.gz WSFBIKLQSRVCPN-UHFFFAOYSA-N 1 0 408.546 3.737 20 30 HHEDRO CC(C)(CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCCCC1 ZINC000516735979 1007265316 /nfs/dbraw/zinc/26/53/16/1007265316.db2.gz GTICXPJBAOURDB-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000532907923 1007282447 /nfs/dbraw/zinc/28/24/47/1007282447.db2.gz GZFYDHHHRVGKCZ-WOJBJXKFSA-N 1 0 404.514 3.672 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532907921 1007283161 /nfs/dbraw/zinc/28/31/61/1007283161.db2.gz GZFYDHHHRVGKCZ-UXHICEINSA-N 1 0 404.514 3.672 20 30 HHEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532916735 1007288757 /nfs/dbraw/zinc/28/87/57/1007288757.db2.gz YWQGBHTWKQZNPH-HNNXBMFYSA-N 1 0 408.893 3.814 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000532918514 1007290896 /nfs/dbraw/zinc/29/08/96/1007290896.db2.gz IZHMZBDIZJDVAF-SFHVURJKSA-N 1 0 400.592 3.970 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000532933423 1007307091 /nfs/dbraw/zinc/30/70/91/1007307091.db2.gz USQHZHQNEQRCGJ-UHFFFAOYSA-N 1 0 401.514 3.518 20 30 HHEDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000516847333 1007321752 /nfs/dbraw/zinc/32/17/52/1007321752.db2.gz RKHDENRIEICDPL-LEWJYISDSA-N 1 0 405.498 3.908 20 30 HHEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(F)c1 ZINC000532990285 1007362708 /nfs/dbraw/zinc/36/27/08/1007362708.db2.gz HAJTXYWNYWXHTE-HXUWFJFHSA-N 1 0 407.411 3.879 20 30 HHEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000517002566 1007370024 /nfs/dbraw/zinc/37/00/24/1007370024.db2.gz PMVGNUFEKYHJDE-KKSFZXQISA-N 1 0 403.448 3.956 20 30 HHEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000539081483 1007371749 /nfs/dbraw/zinc/37/17/49/1007371749.db2.gz LRPOKQCQXYZAGO-PBPGXSGUSA-N 1 0 413.543 3.507 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000535323334 1007376097 /nfs/dbraw/zinc/37/60/97/1007376097.db2.gz ZRNYPVQTJXWIDD-HNNXBMFYSA-N 1 0 401.345 3.540 20 30 HHEDRO N#Cc1ccc(OCC[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC000533071365 1007433586 /nfs/dbraw/zinc/43/35/86/1007433586.db2.gz XSIQBUQYSASJAE-UHFFFAOYSA-N 1 0 403.526 3.840 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000517132186 1007446662 /nfs/dbraw/zinc/44/66/62/1007446662.db2.gz OMENHZIOXVDSGB-HDICACEKSA-N 1 0 408.502 3.971 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000535397612 1007464134 /nfs/dbraw/zinc/46/41/34/1007464134.db2.gz FGKVLVMKQKNNKI-RBBKRZOGSA-N 1 0 409.530 3.677 20 30 HHEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000539230066 1007523147 /nfs/dbraw/zinc/52/31/47/1007523147.db2.gz XLAIDVDVHLZYSP-LLVKDONJSA-N 1 0 407.146 3.885 20 30 HHEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000539234444 1007528809 /nfs/dbraw/zinc/52/88/09/1007528809.db2.gz SDFDHLIXDQPPLG-MRXNPFEDSA-N 1 0 406.486 3.916 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(O)ccc3Br)C2)c(F)c1 ZINC000533201547 1007532464 /nfs/dbraw/zinc/53/24/64/1007532464.db2.gz KRBVXWIRPYERDQ-HNNXBMFYSA-N 1 0 404.283 3.924 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)CC1 ZINC000517304306 1007552829 /nfs/dbraw/zinc/55/28/29/1007552829.db2.gz FPVNMFNKUVMNBE-UHFFFAOYSA-N 1 0 401.532 3.501 20 30 HHEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)cc1OC ZINC000539258900 1007553203 /nfs/dbraw/zinc/55/32/03/1007553203.db2.gz JBSPZJRDVGBKRM-HYBUGGRVSA-N 1 0 409.530 3.632 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000517326982 1007568956 /nfs/dbraw/zinc/56/89/56/1007568956.db2.gz BPEDVWXUJHENJS-UHFFFAOYSA-N 1 0 405.564 3.565 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000535536752 1007581084 /nfs/dbraw/zinc/58/10/84/1007581084.db2.gz DLGQPBNSDGPOAQ-RLLQIKCJSA-N 1 0 424.570 3.838 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000539289112 1007586068 /nfs/dbraw/zinc/58/60/68/1007586068.db2.gz QHMRPDXVJWQJCV-GJZGRUSLSA-N 1 0 405.527 3.972 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(-n2cccn2)c1 ZINC000539289111 1007586305 /nfs/dbraw/zinc/58/63/05/1007586305.db2.gz QHMRPDXVJWQJCV-CABCVRRESA-N 1 0 405.527 3.972 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)c1C#N ZINC000533287959 1007600392 /nfs/dbraw/zinc/60/03/92/1007600392.db2.gz JPRSUSQCOIDVEN-HXUWFJFHSA-N 1 0 411.594 3.838 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000533293041 1007607475 /nfs/dbraw/zinc/60/74/75/1007607475.db2.gz KBQVXGGYDRBJJG-HNAYVOBHSA-N 1 0 406.368 3.855 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000533323585 1007635621 /nfs/dbraw/zinc/63/56/21/1007635621.db2.gz DCEYKPSMBIJYSI-MSOLQXFVSA-N 1 0 416.591 3.504 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533346830 1007654411 /nfs/dbraw/zinc/65/44/11/1007654411.db2.gz VOHYFCWYJDZGRK-HNNXBMFYSA-N 1 0 417.575 3.881 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533375372 1007687813 /nfs/dbraw/zinc/68/78/13/1007687813.db2.gz SOSPVNSEQSXGPY-ZACQAIPSSA-N 1 0 400.592 3.774 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000517465064 1007689914 /nfs/dbraw/zinc/68/99/14/1007689914.db2.gz TWXVDFXMXMLCTI-QGZVFWFLSA-N 1 0 416.591 3.648 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CCC[C@@H]2C[NH+]2CCCCC2)sc2c1CCCC2 ZINC000533412410 1007720307 /nfs/dbraw/zinc/72/03/07/1007720307.db2.gz KWTIANPSWVZRGT-QGZVFWFLSA-N 1 0 400.592 3.777 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000539427846 1007733682 /nfs/dbraw/zinc/73/36/82/1007733682.db2.gz QGVPRHNJUVBFGU-UHFFFAOYSA-N 1 0 412.328 3.628 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533427542 1007738213 /nfs/dbraw/zinc/73/82/13/1007738213.db2.gz VUQXRAVPZWEPNJ-RTBURBONSA-N 1 0 400.592 3.970 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533427540 1007738661 /nfs/dbraw/zinc/73/86/61/1007738661.db2.gz VUQXRAVPZWEPNJ-RBUKOAKNSA-N 1 0 400.592 3.970 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533504316 1007817139 /nfs/dbraw/zinc/81/71/39/1007817139.db2.gz ZLBKEOGQSGTEFE-FUHWJXTLSA-N 1 0 400.498 3.868 20 30 HHEDRO COc1ccccc1N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000539594406 1007915046 /nfs/dbraw/zinc/91/50/46/1007915046.db2.gz QYOMHLZRXUUIPN-NRFANRHFSA-N 1 0 401.514 3.841 20 30 HHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)C2)CC1 ZINC000535900423 1007920122 /nfs/dbraw/zinc/92/01/22/1007920122.db2.gz BJQQVFQIKHQSNN-QHCPKHFHSA-N 1 0 403.526 3.941 20 30 HHEDRO C=CCNC(=O)C[NH2+][C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000539679024 1007999276 /nfs/dbraw/zinc/99/92/76/1007999276.db2.gz NTMAKYLKVBPFMD-AWEZNQCLSA-N 1 0 406.349 3.842 20 30 HHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(OCc4ccccc4C#N)cc3)C2)CC1 ZINC000533698508 1008022675 /nfs/dbraw/zinc/02/26/75/1008022675.db2.gz CBBPMNQGIUUUIS-JOCHJYFZSA-N 1 0 403.526 3.941 20 30 HHEDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000517875837 1008024171 /nfs/dbraw/zinc/02/41/71/1008024171.db2.gz PXPOGKXOHGDQES-UHFFFAOYSA-N 1 0 424.544 3.973 20 30 HHEDRO CC[NH+](CC)[C@H](C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000517880732 1008025987 /nfs/dbraw/zinc/02/59/87/1008025987.db2.gz RIIFYXHJXOMTEW-QHCPKHFHSA-N 1 0 418.541 3.818 20 30 HHEDRO Cc1cc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nn1CCC#N ZINC000539717285 1008031966 /nfs/dbraw/zinc/03/19/66/1008031966.db2.gz ABIOVJHOLJTWDK-UHFFFAOYSA-N 1 0 406.534 3.625 20 30 HHEDRO CC[C@H](C)Oc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000539744011 1008058867 /nfs/dbraw/zinc/05/88/67/1008058867.db2.gz CDZRMACOXGJJQW-IBGZPJMESA-N 1 0 421.545 3.548 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000517998312 1008093657 /nfs/dbraw/zinc/09/36/57/1008093657.db2.gz ZNVCKBYOZJBQMD-UHFFFAOYSA-N 1 0 419.879 3.505 20 30 HHEDRO N#Cc1cc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000539787398 1008095682 /nfs/dbraw/zinc/09/56/82/1008095682.db2.gz ZGODVICZZFHFHF-UHFFFAOYSA-N 1 0 410.949 3.539 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900355 1008172873 /nfs/dbraw/zinc/17/28/73/1008172873.db2.gz WYPINPFVNWUPAZ-VJTSUQJLSA-N 1 0 405.542 3.821 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539900353 1008172995 /nfs/dbraw/zinc/17/29/95/1008172995.db2.gz WYPINPFVNWUPAZ-PZUNEJSGSA-N 1 0 405.542 3.821 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000518255474 1008228316 /nfs/dbraw/zinc/22/83/16/1008228316.db2.gz DPCCFRZBHULMTL-GOSISDBHSA-N 1 0 415.607 3.572 20 30 HHEDRO C=CC[N@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256518 1008229310 /nfs/dbraw/zinc/22/93/10/1008229310.db2.gz YTJLVYVSKKPZOR-NFBKMPQASA-N 1 0 421.545 3.576 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1OCCCC#N ZINC000518285123 1008239070 /nfs/dbraw/zinc/23/90/70/1008239070.db2.gz IFUPJRHWUGYLPN-QGZVFWFLSA-N 1 0 413.905 3.926 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1)CC1CC1 ZINC000540019754 1008240901 /nfs/dbraw/zinc/24/09/01/1008240901.db2.gz COLJFQXSYYCGBO-UHFFFAOYSA-N 1 0 416.953 3.511 20 30 HHEDRO CN(CCC#N)C(=O)CC[NH+]1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000540054331 1008262008 /nfs/dbraw/zinc/26/20/08/1008262008.db2.gz VGHRGIXEGHJHLA-XMMPIXPASA-N 1 0 424.976 3.809 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540082021 1008277533 /nfs/dbraw/zinc/27/75/33/1008277533.db2.gz JSAVLNRMDQNELX-PKTZIBPZSA-N 1 0 403.530 3.779 20 30 HHEDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540180956 1008325273 /nfs/dbraw/zinc/32/52/73/1008325273.db2.gz VAFIQQKBDZSSSQ-NNGSBXSVSA-N 1 0 403.324 3.886 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000518512976 1008333149 /nfs/dbraw/zinc/33/31/49/1008333149.db2.gz JAJVMTIUEUDVDE-HXUWFJFHSA-N 1 0 422.976 3.956 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(Br)cc(Br)c1 ZINC000540208783 1008336555 /nfs/dbraw/zinc/33/65/55/1008336555.db2.gz AAHNPRUQCZFPSY-UHFFFAOYSA-N 1 0 417.145 3.519 20 30 HHEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000518558639 1008347145 /nfs/dbraw/zinc/34/71/45/1008347145.db2.gz BGBYWIDOANNBPX-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000540353597 1008395383 /nfs/dbraw/zinc/39/53/83/1008395383.db2.gz BJOHWVWYDOOGMX-KRWDZBQOSA-N 1 0 407.514 3.855 20 30 HHEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCO2 ZINC000540376310 1008406156 /nfs/dbraw/zinc/40/61/56/1008406156.db2.gz PBEPNKHEWFYNCV-GUYCJALGSA-N 1 0 411.527 3.948 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540387156 1008411232 /nfs/dbraw/zinc/41/12/32/1008411232.db2.gz PALCBZVURGVFGX-QZTJIDSGSA-N 1 0 405.477 3.997 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000518799801 1008424590 /nfs/dbraw/zinc/42/45/90/1008424590.db2.gz UDTYAOQLMVNFJU-UHFFFAOYSA-N 1 0 402.546 3.855 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(-n2ccnn2)cc1 ZINC000540431005 1008430533 /nfs/dbraw/zinc/43/05/33/1008430533.db2.gz WOPDRSAPVBWVTF-DLBZAZTESA-N 1 0 420.542 3.951 20 30 HHEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000518818097 1008431169 /nfs/dbraw/zinc/43/11/69/1008431169.db2.gz WZLZJOJPLNCHOJ-UHFFFAOYSA-N 1 0 409.342 3.764 20 30 HHEDRO C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000518817283 1008431323 /nfs/dbraw/zinc/43/13/23/1008431323.db2.gz NABDSVGXULUFCW-AWEZNQCLSA-N 1 0 418.950 3.721 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540477120 1008447463 /nfs/dbraw/zinc/44/74/63/1008447463.db2.gz YWAGGLQEGQXLFK-KRWDZBQOSA-N 1 0 410.474 3.899 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccc(F)cc1 ZINC000540548270 1008476824 /nfs/dbraw/zinc/47/68/24/1008476824.db2.gz GBXYIQOZLKFSEC-FQEVSTJZSA-N 1 0 414.550 3.507 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)c(Cl)c1 ZINC000542957806 1008529259 /nfs/dbraw/zinc/52/92/59/1008529259.db2.gz UACFXVUQIFWTSQ-UHFFFAOYSA-N 1 0 412.925 3.880 20 30 HHEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542961743 1008533810 /nfs/dbraw/zinc/53/38/10/1008533810.db2.gz MXLOGEKZWKJESI-UHFFFAOYSA-N 1 0 412.881 3.586 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000549072118 1008638539 /nfs/dbraw/zinc/63/85/39/1008638539.db2.gz VCIAMDGDDJKSRF-SFHVURJKSA-N 1 0 416.529 3.728 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549249522 1008819656 /nfs/dbraw/zinc/81/96/56/1008819656.db2.gz DNVMUUWQPMYYTD-LJQANCHMSA-N 1 0 411.550 3.506 20 30 HHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549270456 1008839420 /nfs/dbraw/zinc/83/94/20/1008839420.db2.gz ABJOUMOYDPYDPU-QFIPXVFZSA-N 1 0 407.562 3.985 20 30 HHEDRO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000549291478 1008863715 /nfs/dbraw/zinc/86/37/15/1008863715.db2.gz GHUMGBNTSLPHRX-UHFFFAOYSA-N 1 0 403.615 3.772 20 30 HHEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549325988 1008904231 /nfs/dbraw/zinc/90/42/31/1008904231.db2.gz CZRNLFTUDPPGIK-UGKGYDQZSA-N 1 0 407.562 3.843 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C 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/nfs/dbraw/zinc/13/41/45/1009134145.db2.gz ZPZMZMWTBJXVBS-JOCHJYFZSA-N 1 0 418.541 3.790 20 30 HHEDRO Cc1cccc(C)c1[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000546225164 1009251782 /nfs/dbraw/zinc/25/17/82/1009251782.db2.gz GHPWQQVDTOFPIZ-UGKGYDQZSA-N 1 0 408.521 3.502 20 30 HHEDRO CCC[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000549643939 1009270958 /nfs/dbraw/zinc/27/09/58/1009270958.db2.gz RJDQHNCALURPGI-UHFFFAOYSA-N 1 0 405.420 3.985 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(Cc2ccsc2)CC1 ZINC000549645340 1009271907 /nfs/dbraw/zinc/27/19/07/1009271907.db2.gz RTUSLBSJXIDPDG-UHFFFAOYSA-N 1 0 423.586 3.837 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549645084 1009272286 /nfs/dbraw/zinc/27/22/86/1009272286.db2.gz LUGNHKFJQUFUKW-NRFANRHFSA-N 1 0 422.621 3.975 20 30 HHEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000549654721 1009281784 /nfs/dbraw/zinc/28/17/84/1009281784.db2.gz DJOWWTNSVRMIDZ-UHFFFAOYSA-N 1 0 415.607 3.933 20 30 HHEDRO C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549666806 1009296428 /nfs/dbraw/zinc/29/64/28/1009296428.db2.gz FJDXSGGCCRJIDE-FQEVSTJZSA-N 1 0 424.593 3.891 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549667611 1009297218 /nfs/dbraw/zinc/29/72/18/1009297218.db2.gz WZMCACHMMHQEIY-GOSISDBHSA-N 1 0 413.566 3.707 20 30 HHEDRO COc1cc(-c2noc([C@H](C)Oc3ccc(C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000546279150 1009301310 /nfs/dbraw/zinc/30/13/10/1009301310.db2.gz ILMNIYHXZQELND-HNNXBMFYSA-N 1 0 408.458 3.697 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@H+](C)Cc1ccccc1 ZINC000543764770 1009335748 /nfs/dbraw/zinc/33/57/48/1009335748.db2.gz KJHKFUQWVPBSIT-MRXNPFEDSA-N 1 0 406.465 3.525 20 30 HHEDRO C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C[NH+]4CCSCC4)cc3)n2)c1 ZINC000546362537 1009372576 /nfs/dbraw/zinc/37/25/76/1009372576.db2.gz RQMXOJPYFZDMQX-UHFFFAOYSA-N 1 0 420.538 3.868 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549821795 1009432366 /nfs/dbraw/zinc/43/23/66/1009432366.db2.gz FSWAVHRVLCDROA-UHFFFAOYSA-N 1 0 420.435 3.623 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCOc2ccc(C#N)cc2OC)C1 ZINC000520309330 1009436369 /nfs/dbraw/zinc/43/63/69/1009436369.db2.gz VMIGSAOHEQEDHG-SFHVURJKSA-N 1 0 401.551 3.743 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885196 1009460761 /nfs/dbraw/zinc/46/07/61/1009460761.db2.gz WPWMBHSRZPUESN-VQIMIIECSA-N 1 0 418.476 3.840 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H](C)C1 ZINC000543890132 1009468332 /nfs/dbraw/zinc/46/83/32/1009468332.db2.gz BIBROUAGRZUVPG-YOEHRIQHSA-N 1 0 400.914 3.591 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1ccsc1 ZINC000543890529 1009469207 /nfs/dbraw/zinc/46/92/07/1009469207.db2.gz FURHBHWQMQFMMT-KRWDZBQOSA-N 1 0 414.922 3.883 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC3(CCC[N@H+]3C)CC2)c1C#N ZINC000544132372 1009741613 /nfs/dbraw/zinc/74/16/13/1009741613.db2.gz INIHNXMCMCUCNZ-UHFFFAOYSA-N 1 0 411.594 3.981 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000520682704 1009753353 /nfs/dbraw/zinc/75/33/53/1009753353.db2.gz JISAPNOAJJTCLD-UHFFFAOYSA-N 1 0 415.559 3.527 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000520682707 1009753454 /nfs/dbraw/zinc/75/34/54/1009753454.db2.gz KAWKIPPICFZESR-LJQANCHMSA-N 1 0 424.372 3.755 20 30 HHEDRO CC(C)(C)c1csc(NC(=O)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000550253653 1009808082 /nfs/dbraw/zinc/80/80/82/1009808082.db2.gz TUAHIUIVWNVAMM-KRWDZBQOSA-N 1 0 424.570 3.637 20 30 HHEDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC(C)C ZINC000546928293 1009887353 /nfs/dbraw/zinc/88/73/53/1009887353.db2.gz VSWWNUNONTZAQM-UHFFFAOYSA-N 1 0 410.518 3.950 20 30 HHEDRO C=CCN1C(=O)c2ccc(-c3nc(-c4ccccc4C[NH+]4CCCC4)no3)cc2C1=O ZINC000546942684 1009900676 /nfs/dbraw/zinc/90/06/76/1009900676.db2.gz AHLXFJFPEWGSOW-UHFFFAOYSA-N 1 0 414.465 3.781 20 30 HHEDRO C=CCOc1cccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)c1 ZINC000520963670 1010009314 /nfs/dbraw/zinc/00/93/14/1010009314.db2.gz XNDRITKLDOCGIJ-UHFFFAOYSA-N 1 0 403.320 3.924 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000544399307 1010019954 /nfs/dbraw/zinc/01/99/54/1010019954.db2.gz ADCGXYPFIRWYCW-FQEVSTJZSA-N 1 0 400.548 3.754 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544420617 1010039447 /nfs/dbraw/zinc/03/94/47/1010039447.db2.gz DEVYIGQEZUQNBK-MRXNPFEDSA-N 1 0 410.449 3.512 20 30 HHEDRO C=CCc1ccc(OCc2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)c(OC)c1 ZINC000547136298 1010085294 /nfs/dbraw/zinc/08/52/94/1010085294.db2.gz WXKXVYKLQZMNEV-UHFFFAOYSA-N 1 0 420.513 3.805 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000521206503 1010229564 /nfs/dbraw/zinc/22/95/64/1010229564.db2.gz QFOOYNHQFDLNKM-CQSZACIVSA-N 1 0 415.900 3.985 20 30 HHEDRO C[C@@](O)(C1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000547344618 1010261988 /nfs/dbraw/zinc/26/19/88/1010261988.db2.gz FDUBBGBOMNTTIL-GOSISDBHSA-N 1 0 417.859 3.612 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000521573834 1010473075 /nfs/dbraw/zinc/47/30/75/1010473075.db2.gz SVKMIJCYTGZIRD-INIZCTEOSA-N 1 0 410.345 3.503 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 ZINC000521573615 1010473373 /nfs/dbraw/zinc/47/33/73/1010473373.db2.gz JHXXWFBTKPVYHQ-UHFFFAOYSA-N 1 0 409.452 3.603 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000544898390 1010473682 /nfs/dbraw/zinc/47/36/82/1010473682.db2.gz NMYNABWGFXVHIH-AVRDEDQJSA-N 1 0 422.598 3.687 20 30 HHEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CC1 ZINC000521655590 1010527874 /nfs/dbraw/zinc/52/78/74/1010527874.db2.gz LTIKLJCAYOYEIL-OAQYLSRUSA-N 1 0 419.529 3.594 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000521657174 1010529493 /nfs/dbraw/zinc/52/94/93/1010529493.db2.gz UUFZOZPIISZKRF-UHFFFAOYSA-N 1 0 409.486 3.766 20 30 HHEDRO C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1Cc1ccccc1 ZINC000551404139 1010565358 /nfs/dbraw/zinc/56/53/58/1010565358.db2.gz UWWYOGYMHHWXAI-IBGZPJMESA-N 1 0 422.598 3.686 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521740437 1010585162 /nfs/dbraw/zinc/58/51/62/1010585162.db2.gz ZNRMDMFFWMVZFG-MJGOQNOKSA-N 1 0 422.554 3.583 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000521807226 1010632912 /nfs/dbraw/zinc/63/29/12/1010632912.db2.gz HOELVQAUZSCGST-DRSNIGMVSA-N 1 0 416.591 3.646 20 30 HHEDRO CC(C)[C@@H](CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCN(C)CC1 ZINC000521811147 1010635592 /nfs/dbraw/zinc/63/55/92/1010635592.db2.gz VMPZPFTXFCXHIO-HSZRJFAPSA-N 1 0 421.545 3.744 20 30 HHEDRO C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(C#N)c(F)c1 ZINC000551567126 1010666501 /nfs/dbraw/zinc/66/65/01/1010666501.db2.gz OZROJLKERKYTND-QKFKETGDSA-N 1 0 406.461 3.773 20 30 HHEDRO C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000548854044 1010745390 /nfs/dbraw/zinc/74/53/90/1010745390.db2.gz RJXKVIANLASRDN-IBGZPJMESA-N 1 0 423.561 3.808 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000522277582 1010900434 /nfs/dbraw/zinc/90/04/34/1010900434.db2.gz PNJZBXADEWXJJJ-JOCHJYFZSA-N 1 0 408.571 3.755 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522758685 1011199176 /nfs/dbraw/zinc/19/91/76/1011199176.db2.gz JGPHLCNCAKDHQB-FUHWJXTLSA-N 1 0 417.497 3.702 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000522772957 1011207570 /nfs/dbraw/zinc/20/75/70/1011207570.db2.gz HNBDZOJRPPHSQZ-ROUUACIJSA-N 1 0 416.591 3.790 20 30 HHEDRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)c(F)c1 ZINC000540707718 1011358969 /nfs/dbraw/zinc/35/89/69/1011358969.db2.gz DADIHZSUKDWRPW-HNNXBMFYSA-N 1 0 421.563 3.827 20 30 HHEDRO Cc1cc(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nn1CCC#N ZINC000540816260 1011477431 /nfs/dbraw/zinc/47/74/31/1011477431.db2.gz KMGUFGNDALZULY-SFHVURJKSA-N 1 0 400.914 3.717 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540866070 1011543142 /nfs/dbraw/zinc/54/31/42/1011543142.db2.gz YBSNCTAOPSWTEZ-QGZVFWFLSA-N 1 0 406.515 3.613 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000540981179 1011615450 /nfs/dbraw/zinc/61/54/50/1011615450.db2.gz KSMWGLLHVBKUGN-UHFFFAOYSA-N 1 0 418.476 3.801 20 30 HHEDRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541084367 1011725782 /nfs/dbraw/zinc/72/57/82/1011725782.db2.gz GWVMQEMYYJPJLA-ROUUACIJSA-N 1 0 419.525 3.676 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000541084839 1011726573 /nfs/dbraw/zinc/72/65/73/1011726573.db2.gz HFUSCOJBURLAJB-UHFFFAOYSA-N 1 0 418.969 3.901 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)c(Cl)c1 ZINC000541101345 1011747773 /nfs/dbraw/zinc/74/77/73/1011747773.db2.gz OENQVQRHDKVUDT-APWZRJJASA-N 1 0 424.936 3.878 20 30 HHEDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(C)(C)C ZINC000541102492 1011748990 /nfs/dbraw/zinc/74/89/90/1011748990.db2.gz IDCORUFLYPIRCV-QGZVFWFLSA-N 1 0 402.930 3.885 20 30 HHEDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000536589321 1011752118 /nfs/dbraw/zinc/75/21/18/1011752118.db2.gz IDMNRMPOPOPESB-HTAPYJJXSA-N 1 0 412.509 3.547 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)c(F)c1 ZINC000541133301 1011792041 /nfs/dbraw/zinc/79/20/41/1011792041.db2.gz YSHLQJWUUSABOR-SFHVURJKSA-N 1 0 421.451 3.873 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536657309 1011804759 /nfs/dbraw/zinc/80/47/59/1011804759.db2.gz YAXOAIDYDPRGHU-UHFFFAOYSA-N 1 0 409.440 3.853 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000551751278 1011911317 /nfs/dbraw/zinc/91/13/17/1011911317.db2.gz DRPRRCXIJNVLRD-KDOFPFPSSA-N 1 0 402.420 3.755 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000551846002 1012001602 /nfs/dbraw/zinc/00/16/02/1012001602.db2.gz JFOKJTQVJKJBDJ-QWHZDKJVSA-N 1 0 416.447 3.858 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CCCCn3cc(Br)cn3)CC2)cc1 ZINC000552057089 1012073801 /nfs/dbraw/zinc/07/38/01/1012073801.db2.gz DVSSYRAZFVXCOS-UHFFFAOYSA-N 1 0 402.340 3.556 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1)CC(C)C ZINC000536902940 1012163551 /nfs/dbraw/zinc/16/35/51/1012163551.db2.gz BDQJSBWUYDFDFV-UHFFFAOYSA-N 1 0 409.571 3.607 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000552149123 1012171084 /nfs/dbraw/zinc/17/10/84/1012171084.db2.gz TXXQCGJJRIYGBC-GOTSBHOMSA-N 1 0 419.500 3.832 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000536928282 1012214418 /nfs/dbraw/zinc/21/44/18/1012214418.db2.gz MIOHXNTUOWQKCX-BEFAXECRSA-N 1 0 424.383 3.865 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000541493852 1012270637 /nfs/dbraw/zinc/27/06/37/1012270637.db2.gz YKJTZLWUFIILGK-JOCHJYFZSA-N 1 0 422.529 3.851 20 30 HHEDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1OC ZINC000552282061 1012293518 /nfs/dbraw/zinc/29/35/18/1012293518.db2.gz TZAFKCZOLMBWNN-KKSFZXQISA-N 1 0 407.514 3.600 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)cc(OC)c1OC ZINC000537022947 1012328253 /nfs/dbraw/zinc/32/82/53/1012328253.db2.gz FBTKKAVUEANXRI-DLBZAZTESA-N 1 0 411.502 3.698 20 30 HHEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000537077308 1012422680 /nfs/dbraw/zinc/42/26/80/1012422680.db2.gz MKGQSXIERIDTLW-MRXNPFEDSA-N 1 0 404.432 3.923 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537094039 1012453625 /nfs/dbraw/zinc/45/36/25/1012453625.db2.gz LPQTTXZPFAUKOC-SFHVURJKSA-N 1 0 419.529 3.669 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)CC1 ZINC000537162133 1012562121 /nfs/dbraw/zinc/56/21/21/1012562121.db2.gz MNEMBHALOJZJMS-OALUTQOASA-N 1 0 412.559 3.667 20 30 HHEDRO CC(C)(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000537165517 1012568164 /nfs/dbraw/zinc/56/81/64/1012568164.db2.gz JBKXJKUGYTWXGQ-HXUWFJFHSA-N 1 0 410.587 3.758 20 30 HHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537225613 1012655222 /nfs/dbraw/zinc/65/52/22/1012655222.db2.gz VHULBYSPIBVLLA-MEBBXXQBSA-N 1 0 403.832 3.800 20 30 HHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541800162 1012677647 /nfs/dbraw/zinc/67/76/47/1012677647.db2.gz WOQVNVXIKYAUQW-AWEZNQCLSA-N 1 0 400.914 3.591 20 30 HHEDRO Cc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000541877524 1012750232 /nfs/dbraw/zinc/75/02/32/1012750232.db2.gz GZRYTTHYYJPDIW-OAQYLSRUSA-N 1 0 407.905 3.739 20 30 HHEDRO COc1ccccc1[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCCC1 ZINC000537296556 1012753261 /nfs/dbraw/zinc/75/32/61/1012753261.db2.gz XJOZUTCARBPBRO-RUZDIDTESA-N 1 0 418.585 3.958 20 30 HHEDRO COc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000537295963 1012753878 /nfs/dbraw/zinc/75/38/78/1012753878.db2.gz RGAJFMYCTWFODN-UHFFFAOYSA-N 1 0 401.457 3.922 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(OCC(=O)N4CCCC4)c3)CC2)cc1 ZINC000541902758 1012763115 /nfs/dbraw/zinc/76/31/15/1012763115.db2.gz AXRHKVJFFSKRKH-UHFFFAOYSA-N 1 0 418.541 3.636 20 30 HHEDRO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000537307995 1012766412 /nfs/dbraw/zinc/76/64/12/1012766412.db2.gz UKYMJOOEIDYKAZ-IBGZPJMESA-N 1 0 411.571 3.971 20 30 HHEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000524042312 1012792295 /nfs/dbraw/zinc/79/22/95/1012792295.db2.gz BIZHURGWCFYHMQ-SFHVURJKSA-N 1 0 409.313 3.753 20 30 HHEDRO C[C@@H]1CC[C@]2(CC[N@H+](CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)C2)C1 ZINC000541949150 1012810202 /nfs/dbraw/zinc/81/02/02/1012810202.db2.gz NLUYWGDNBUFXFA-RRQZXNHTSA-N 1 0 424.589 3.868 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)n2)c(F)c1 ZINC000542027006 1012922434 /nfs/dbraw/zinc/92/24/34/1012922434.db2.gz QKPIXMBSNLLLCM-OAQYLSRUSA-N 1 0 418.476 3.842 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1cccs1 ZINC000542034064 1012932800 /nfs/dbraw/zinc/93/28/00/1012932800.db2.gz ZJUHNNIPGISAQF-MRXNPFEDSA-N 1 0 414.922 3.883 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[NH+](C)C)cc1 ZINC000542034541 1012933170 /nfs/dbraw/zinc/93/31/70/1012933170.db2.gz ICJQUZUJUXLQHH-FQEVSTJZSA-N 1 0 406.465 3.616 20 30 HHEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000553007795 1012980593 /nfs/dbraw/zinc/98/05/93/1012980593.db2.gz UIGLAPLLQXVMQR-QGZVFWFLSA-N 1 0 413.481 3.885 20 30 HHEDRO C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542084051 1013006028 /nfs/dbraw/zinc/00/60/28/1013006028.db2.gz CIOYZDQQCNBBFN-IBGZPJMESA-N 1 0 418.541 3.792 20 30 HHEDRO CCC(CC)c1cc[n+](C(C(=O)c2cc(C(=O)OC)co2)C(=S)NC2CC2)cc1 ZINC000729667964 1071786161 /nfs/dbraw/zinc/78/61/61/1071786161.db2.gz YBNNVEMHJDTNKM-UHFFFAOYSA-O 1 0 415.535 3.948 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000729808385 1072124402 /nfs/dbraw/zinc/12/44/02/1072124402.db2.gz AZCFNUFVQTXXGD-GXTWGEPZSA-N 1 0 400.700 3.511 20 30 HHEDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC001272171283 1072162735 /nfs/dbraw/zinc/16/27/35/1072162735.db2.gz RZXKLEHBFXNHNR-YHYXMXQVSA-N 1 0 414.303 3.913 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000760369781 1072283994 /nfs/dbraw/zinc/28/39/94/1072283994.db2.gz YAQIBMBJCCGGKD-WOJBJXKFSA-N 1 0 405.542 3.926 20 30 HHEDRO N#CCOc1cccc(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000760372338 1072287297 /nfs/dbraw/zinc/28/72/97/1072287297.db2.gz QNVKUBUTWFKYJF-UHFFFAOYSA-N 1 0 420.513 3.585 20 30 HHEDRO N#CCOc1cccc(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000760403298 1072328993 /nfs/dbraw/zinc/32/89/93/1072328993.db2.gz MAVGLTOWDGMPPL-ISKFKSNPSA-N 1 0 403.526 3.645 20 30 HHEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001691580219 1072482648 /nfs/dbraw/zinc/48/26/48/1072482648.db2.gz ORJAUSFQCIQBHM-RXVVDRJESA-N 1 0 405.550 3.676 20 30 HHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@@H]4CCN([C@H]5CC[NH2+]C5)C4)n3)cc2)cc1 ZINC001212112103 1072492880 /nfs/dbraw/zinc/49/28/80/1072492880.db2.gz CHIYZWUJWQBZSD-MOPGFXCFSA-N 1 0 401.470 3.552 20 30 HHEDRO N#Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000571489762 1072637769 /nfs/dbraw/zinc/63/77/69/1072637769.db2.gz HKDFNJKAUJHPDW-ICSRJNTNSA-N 1 0 413.481 3.973 20 30 HHEDRO C[C@@H](NC(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1cccc(C#N)c1 ZINC000587690749 1072654791 /nfs/dbraw/zinc/65/47/91/1072654791.db2.gz YUMUULLITQQRBQ-RTBURBONSA-N 1 0 418.541 3.515 20 30 HHEDRO Cc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(OCC[NH+](C)C)c1 ZINC000571568170 1072672866 /nfs/dbraw/zinc/67/28/66/1072672866.db2.gz GKIPRFOHMDGKQH-UHFFFAOYSA-N 1 0 422.529 3.882 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571803703 1072858333 /nfs/dbraw/zinc/85/83/33/1072858333.db2.gz NEJUPIRNHSASBD-OFNKIYASSA-N 1 0 411.590 3.608 20 30 HHEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(C(=O)OCC)cc3)CC2)C1 ZINC001142576202 1072864021 /nfs/dbraw/zinc/86/40/21/1072864021.db2.gz UDQJEQUILYXXMT-UHFFFAOYSA-N 1 0 400.519 3.864 20 30 HHEDRO C[NH+]1CC(C(=O)Nc2cc(C#N)nn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)C1 ZINC001142591819 1072884749 /nfs/dbraw/zinc/88/47/49/1072884749.db2.gz ICDCBMZQPBWHAP-UHFFFAOYSA-N 1 0 418.206 3.570 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000554975089 1073015778 /nfs/dbraw/zinc/01/57/78/1073015778.db2.gz ANQCCIBJHBMPAD-YADHBBJMSA-N 1 0 418.541 3.588 20 30 HHEDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 ZINC000588347810 1073030153 /nfs/dbraw/zinc/03/01/53/1073030153.db2.gz BSYJWTYMNOTLSB-CQSZACIVSA-N 1 0 423.464 3.840 20 30 HHEDRO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000555131788 1073182783 /nfs/dbraw/zinc/18/27/83/1073182783.db2.gz CGWXNVUGOJOPDE-CTNGQTDRSA-N 1 0 417.431 3.687 20 30 HHEDRO C=C(C)C[NH+]1CCC(NCc2c(Br)cncc2Br)CC1 ZINC000572211080 1073228511 /nfs/dbraw/zinc/22/85/11/1073228511.db2.gz IQQNSBWZPPHJOK-UHFFFAOYSA-N 1 0 403.162 3.737 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000555246463 1073289530 /nfs/dbraw/zinc/28/95/30/1073289530.db2.gz IAUAPVATPPJRJR-UHFFFAOYSA-N 1 0 408.575 3.651 20 30 HHEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000555255317 1073303940 /nfs/dbraw/zinc/30/39/40/1073303940.db2.gz CYTHVRKJFBXJOO-IEBWSBKVSA-N 1 0 401.530 3.910 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555256554 1073304739 /nfs/dbraw/zinc/30/47/39/1073304739.db2.gz YCXRERJCZQRUJN-UHFFFAOYSA-N 1 0 409.578 3.788 20 30 HHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000555316278 1073329495 /nfs/dbraw/zinc/32/94/95/1073329495.db2.gz LOVOSCMOEOJZDZ-RHSMWYFYSA-N 1 0 419.319 3.614 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000588967157 1073363054 /nfs/dbraw/zinc/36/30/54/1073363054.db2.gz PYKMXAWPQADSMC-KGLIPLIRSA-N 1 0 411.449 3.528 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000590232055 1073667023 /nfs/dbraw/zinc/66/70/23/1073667023.db2.gz OOUKOGSZKDRCOF-QGZVFWFLSA-N 1 0 424.570 3.589 20 30 HHEDRO Cn1cc(CNc2ccc(Cl)c(C[N@H+](C)CCO)c2)c(-c2ccc(C#N)cc2)n1 ZINC000555952502 1073999628 /nfs/dbraw/zinc/99/96/28/1073999628.db2.gz PQOBJTLTGLTXIX-UHFFFAOYSA-N 1 0 409.921 3.648 20 30 HHEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000760903789 1074618859 /nfs/dbraw/zinc/61/88/59/1074618859.db2.gz MXDSIIIHEXDIOT-QFIPXVFZSA-N 1 0 402.539 3.742 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)CC1 ZINC000592076591 1074688268 /nfs/dbraw/zinc/68/82/68/1074688268.db2.gz LXTCQGXVPBJHRK-UHFFFAOYSA-N 1 0 403.523 3.940 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCC(=O)c2cc(Br)ccc2OC)CC1 ZINC000592079808 1074688287 /nfs/dbraw/zinc/68/82/87/1074688287.db2.gz FTUWBEVHNOGLGO-UHFFFAOYSA-N 1 0 423.351 3.577 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2Br)CC1 ZINC000592526900 1074781405 /nfs/dbraw/zinc/78/14/05/1074781405.db2.gz VDXMZKFAHJEGAB-UHFFFAOYSA-N 1 0 417.145 3.984 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)cnc2Cl)c1 ZINC001164409874 718865771 /nfs/dbraw/zinc/86/57/71/718865771.db2.gz VCUOITBJCSQBIK-LPHOPBHVSA-N 1 0 418.875 3.633 20 30 HHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)c(Cl)cc3C#N)CC2)CC1 ZINC001164618400 719026730 /nfs/dbraw/zinc/02/67/30/719026730.db2.gz WDRZOYFEOIQGDH-UHFFFAOYSA-N 1 0 411.333 3.504 20 30 HHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(C#C[Si](C)(C)C)ccn3)CC2)CC1 ZINC001164618648 719034543 /nfs/dbraw/zinc/03/45/43/719034543.db2.gz XFMRGAWXNUKRFB-UHFFFAOYSA-N 1 0 413.638 3.554 20 30 HHEDRO CCOC(=O)c1cc(C)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C#N ZINC001164629898 719068057 /nfs/dbraw/zinc/06/80/57/719068057.db2.gz ZVMSCCTXRZIVID-SIKLNZKXSA-N 1 0 404.514 3.539 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c(Cl)nn2)cc1 ZINC001164621904 719126429 /nfs/dbraw/zinc/12/64/29/719126429.db2.gz NMYDEJZUTPZUFY-ZBFHGGJFSA-N 1 0 421.854 3.727 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1C#C[Si](C)(C)C)C2 ZINC001164815056 720150778 /nfs/dbraw/zinc/15/07/78/720150778.db2.gz HPUJFFLIHQWGRO-VWNXMTODSA-N 1 0 411.666 3.804 20 30 HHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)cc1 ZINC001164721680 720339833 /nfs/dbraw/zinc/33/98/33/720339833.db2.gz CZHJSFWMTTWPSX-XWGVYQGASA-N 1 0 410.525 3.689 20 30 HHEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164880939 721178193 /nfs/dbraw/zinc/17/81/93/721178193.db2.gz XXYWYASVOJJIOJ-PMACEKPBSA-N 1 0 419.916 3.635 20 30 HHEDRO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164900446 721512724 /nfs/dbraw/zinc/51/27/24/721512724.db2.gz RCAKDBNRGFKALO-RDJZCZTQSA-N 1 0 422.838 3.633 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(Cl)c(C#N)n2)CC1 ZINC001165021398 721838523 /nfs/dbraw/zinc/83/85/23/721838523.db2.gz MGSFXACFYLUKOC-UHFFFAOYSA-N 1 0 400.910 3.725 20 30 HHEDRO CC[NH+]1CCN(c2ccc(CNc3nc(C(F)(F)F)ccc3C#N)cc2F)CC1 ZINC000301276816 970845415 /nfs/dbraw/zinc/84/54/15/970845415.db2.gz JDNFOTBVIFZDGG-UHFFFAOYSA-N 1 0 407.415 3.865 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301502473 970958925 /nfs/dbraw/zinc/95/89/25/970958925.db2.gz FMKXDRNAHXXKOL-GOSISDBHSA-N 1 0 424.451 3.539 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)C[C@H](C)O1 ZINC000301517298 970964472 /nfs/dbraw/zinc/96/44/72/970964472.db2.gz CFJMXBNMCXCJIG-CALCHBBNSA-N 1 0 423.517 3.730 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000303309323 971618433 /nfs/dbraw/zinc/61/84/33/971618433.db2.gz OPIHNBDTCGNQTO-UHFFFAOYSA-N 1 0 410.537 3.865 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000303372114 971666021 /nfs/dbraw/zinc/66/60/21/971666021.db2.gz LPQVWMAGCNAMQX-UHFFFAOYSA-N 1 0 408.546 3.861 20 30 HHEDRO CC(C)c1ccccc1OCCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000303434034 971718279 /nfs/dbraw/zinc/71/82/79/971718279.db2.gz CWADPUORDUINDP-UHFFFAOYSA-N 1 0 420.557 3.978 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565665 971859624 /nfs/dbraw/zinc/85/96/24/971859624.db2.gz INURLHVGXZQYLT-AKIFATBCSA-N 1 0 416.606 3.750 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CC1 ZINC000303653462 971932994 /nfs/dbraw/zinc/93/29/94/971932994.db2.gz USQSKPNKNFAZCI-UHFFFAOYSA-N 1 0 423.479 3.749 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303669715 971948600 /nfs/dbraw/zinc/94/86/00/971948600.db2.gz YJTYNCYTWMVHAG-NHCUHLMSSA-N 1 0 414.569 3.905 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000303709626 971972657 /nfs/dbraw/zinc/97/26/57/971972657.db2.gz NWIJLKHLBONFKD-UHFFFAOYSA-N 1 0 408.546 3.734 20 30 HHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553167353 1013126185 /nfs/dbraw/zinc/12/61/85/1013126185.db2.gz HJKQHDMVRRYVBK-NRFANRHFSA-N 1 0 408.521 3.680 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303793948 972031552 /nfs/dbraw/zinc/03/15/52/972031552.db2.gz VJUIKZOJRNSZBW-WMZHIEFXSA-N 1 0 421.589 3.858 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000303800216 972037005 /nfs/dbraw/zinc/03/70/05/972037005.db2.gz JMMHWAAJNJCXNO-QFIPXVFZSA-N 1 0 408.933 3.525 20 30 HHEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccc(C)cc1 ZINC000537591013 1013130449 /nfs/dbraw/zinc/13/04/49/1013130449.db2.gz HPHXUOBUPQOXAZ-UHFFFAOYSA-N 1 0 413.525 3.777 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000553202999 1013163783 /nfs/dbraw/zinc/16/37/83/1013163783.db2.gz UIAVQKQKQIMUDJ-NZQKXSOJSA-N 1 0 411.590 3.751 20 30 HHEDRO Cc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303871497 972413006 /nfs/dbraw/zinc/41/30/06/972413006.db2.gz BRHVOOXAOJNTIU-IBGZPJMESA-N 1 0 422.451 3.694 20 30 HHEDRO COc1ccc(OC)c([C@H](O)CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303871173 972413143 /nfs/dbraw/zinc/41/31/43/972413143.db2.gz BNNZZBUDWVDVQO-APPDUMDISA-N 1 0 412.317 3.710 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)cc1 ZINC000303874796 972416283 /nfs/dbraw/zinc/41/62/83/972416283.db2.gz DBWBJIOMYJOAOL-AUUYWEPGSA-N 1 0 420.916 3.676 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000303896704 972435244 /nfs/dbraw/zinc/43/52/44/972435244.db2.gz QDHAZQBPPIDRIG-UHFFFAOYSA-N 1 0 412.534 3.893 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000303896619 972435294 /nfs/dbraw/zinc/43/52/94/972435294.db2.gz UPWFABAVLSMRRS-CYBMUJFWSA-N 1 0 417.815 3.534 20 30 HHEDRO CCCCCCCCNC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303901575 972470733 /nfs/dbraw/zinc/47/07/33/972470733.db2.gz XMOCLKPUJJSOCC-KDURUIRLSA-N 1 0 402.583 3.701 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000303906470 972477103 /nfs/dbraw/zinc/47/71/03/972477103.db2.gz WCIWWYAHLSXBME-CQSZACIVSA-N 1 0 407.345 3.996 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000542419148 1013370750 /nfs/dbraw/zinc/37/07/50/1013370750.db2.gz GRPWKZFGPKHQEP-UHFFFAOYSA-N 1 0 414.550 3.703 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000542422405 1013374332 /nfs/dbraw/zinc/37/43/32/1013374332.db2.gz VIVIZNBNMHMJHL-LJQANCHMSA-N 1 0 412.490 3.525 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022690768 963698032 /nfs/dbraw/zinc/69/80/32/963698032.db2.gz LOVSKSNCNFIFHS-SFHVURJKSA-O 1 0 403.955 3.897 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)sc1C)C(=S)NC[C@@H]1CCCO1 ZINC000022692282 963698666 /nfs/dbraw/zinc/69/86/66/963698666.db2.gz BJDMJBYLCCKRNE-KRWDZBQOSA-O 1 0 403.593 3.922 20 30 HHEDRO Cc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc3c(c2)CCCC3)s1 ZINC000022692158 963698881 /nfs/dbraw/zinc/69/88/81/963698881.db2.gz JSTSKUYLJSSEAB-SFHVURJKSA-O 1 0 415.604 3.930 20 30 HHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000022804108 963720708 /nfs/dbraw/zinc/72/07/08/963720708.db2.gz ZBJOQXRXZSVVBV-UHFFFAOYSA-O 1 0 412.579 3.939 20 30 HHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1ccc(CCC)cc1 ZINC000022805185 963720816 /nfs/dbraw/zinc/72/08/16/963720816.db2.gz WFAHAFXZNKNHDX-UHFFFAOYSA-O 1 0 416.567 3.597 20 30 HHEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000048745168 964050040 /nfs/dbraw/zinc/05/00/40/964050040.db2.gz ZYFLHDJHGFCVBU-UHFFFAOYSA-N 1 0 404.432 3.844 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc(OC)c1OC ZINC000051269850 964514117 /nfs/dbraw/zinc/51/41/17/964514117.db2.gz ITPYAVSFFWBRIO-SFHVURJKSA-N 1 0 403.548 3.596 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000051449684 964576619 /nfs/dbraw/zinc/57/66/19/964576619.db2.gz AUBCMOVTCHAIOR-AZUAARDMSA-N 1 0 401.304 3.898 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C(=O)OC)cc1 ZINC000052485600 964916242 /nfs/dbraw/zinc/91/62/42/964916242.db2.gz XMVXQXQMCUWIIR-UHFFFAOYSA-N 1 0 400.548 3.571 20 30 HHEDRO Cc1cc(C)c(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000028961211 965227193 /nfs/dbraw/zinc/22/71/93/965227193.db2.gz KOQBESRPBSKNPA-UHFFFAOYSA-N 1 0 410.949 3.975 20 30 HHEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340366 965481301 /nfs/dbraw/zinc/48/13/01/965481301.db2.gz XPZVUBRTJKEUMB-GOSISDBHSA-N 1 0 407.514 3.761 20 30 HHEDRO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)[NH+]2CCCCC2)cc1 ZINC000029755188 965486596 /nfs/dbraw/zinc/48/65/96/965486596.db2.gz CLDUKAFKBPVQHU-GCJKJVERSA-N 1 0 407.514 3.678 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000029781433 965497174 /nfs/dbraw/zinc/49/71/74/965497174.db2.gz XNSWCIAFONGLAV-INIZCTEOSA-N 1 0 412.921 3.760 20 30 HHEDRO Cc1cccc(C(=O)N2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000029851399 965527406 /nfs/dbraw/zinc/52/74/06/965527406.db2.gz JBRUYDFERKEQHO-UHFFFAOYSA-N 1 0 424.932 3.697 20 30 HHEDRO C[C@@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCC12CCOCC2 ZINC000542656544 1013584733 /nfs/dbraw/zinc/58/47/33/1013584733.db2.gz SKHBMSPODIYLKA-CVEARBPZSA-N 1 0 401.576 3.964 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000030572895 965734372 /nfs/dbraw/zinc/73/43/72/965734372.db2.gz WJOOYHXAEKILTG-UHFFFAOYSA-N 1 0 413.468 3.827 20 30 HHEDRO COc1cc2c(cc1OC)C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000030673260 965763132 /nfs/dbraw/zinc/76/31/32/965763132.db2.gz QGAZYTNIJRNZKB-UHFFFAOYSA-N 1 0 411.527 3.513 20 30 HHEDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000055309884 965811015 /nfs/dbraw/zinc/81/10/15/965811015.db2.gz QTDZRYWLOLENOX-UHFFFAOYSA-N 1 0 411.933 3.887 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000059982656 966046374 /nfs/dbraw/zinc/04/63/74/966046374.db2.gz FZUIURVAUIBVPJ-QZTJIDSGSA-N 1 0 401.551 3.599 20 30 HHEDRO CC[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469333 966159142 /nfs/dbraw/zinc/15/91/42/966159142.db2.gz QZFCARWIGYMREW-LJQANCHMSA-N 1 0 424.589 3.629 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000032269636 966209538 /nfs/dbraw/zinc/20/95/38/966209538.db2.gz RYTUDXFEORYERU-LJQANCHMSA-N 1 0 409.555 3.796 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000060756571 966278725 /nfs/dbraw/zinc/27/87/25/966278725.db2.gz HGODOBKYIQZMSE-UHFFFAOYSA-N 1 0 412.342 3.618 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503725 966483043 /nfs/dbraw/zinc/48/30/43/966483043.db2.gz DYYZUKVLFOQNDM-UHFFFAOYSA-N 1 0 407.514 3.638 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccc(F)cc1 ZINC000056950253 966527390 /nfs/dbraw/zinc/52/73/90/966527390.db2.gz YJQQKYDJJWNCTR-HXUWFJFHSA-N 1 0 400.523 3.533 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)COc2ccc(C(F)(F)F)cn2)CC1 ZINC000542752225 1013660351 /nfs/dbraw/zinc/66/03/51/1013660351.db2.gz LAGUATRNFBWYAX-UHFFFAOYSA-N 1 0 414.472 3.598 20 30 HHEDRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000061868408 966568488 /nfs/dbraw/zinc/56/84/88/966568488.db2.gz YXOHEOGPPWPTOK-GUDVDZBRSA-N 1 0 406.530 3.728 20 30 HHEDRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000062242734 966630296 /nfs/dbraw/zinc/63/02/96/966630296.db2.gz UYJHZDJOFDURRQ-SFHVURJKSA-N 1 0 411.546 3.938 20 30 HHEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000063300416 966806903 /nfs/dbraw/zinc/80/69/03/966806903.db2.gz IOTJCZZMSFEZIH-IBGZPJMESA-N 1 0 401.304 3.749 20 30 HHEDRO C=CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1cccc(C#N)c1 ZINC000063300086 966807352 /nfs/dbraw/zinc/80/73/52/966807352.db2.gz CLAAHXHEESOFEL-UHFFFAOYSA-N 1 0 416.569 3.636 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043295463 966947173 /nfs/dbraw/zinc/94/71/73/966947173.db2.gz USWIXVXDURYQSK-DEOSSOPVSA-N 1 0 413.525 3.816 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CCO)c2ccccc2)c1C#N ZINC000538129650 1013691639 /nfs/dbraw/zinc/69/16/39/1013691639.db2.gz KRROAKIHWSLHDY-JOCHJYFZSA-N 1 0 402.498 3.618 20 30 HHEDRO Cc1nc(-c2cccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2)no1 ZINC000064545169 967231069 /nfs/dbraw/zinc/23/10/69/967231069.db2.gz ARPHVKPRKKJRDP-UHFFFAOYSA-N 1 0 416.485 3.657 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1cccc(C#N)c1 ZINC000064755513 967284986 /nfs/dbraw/zinc/28/49/86/967284986.db2.gz ISJYCHUSGBADEA-UHFFFAOYSA-N 1 0 404.436 3.850 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)c(C(F)(F)F)c2)CC1 ZINC000044796868 967292123 /nfs/dbraw/zinc/29/21/23/967292123.db2.gz KHCNFUJQWSQGQR-UHFFFAOYSA-N 1 0 416.447 3.900 20 30 HHEDRO N#Cc1ccc(OCC[NH2+]C2(c3cccc(Br)c3)CCOCC2)cc1 ZINC000065604349 967543404 /nfs/dbraw/zinc/54/34/04/967543404.db2.gz LUXWOIDBTBYDML-UHFFFAOYSA-N 1 0 401.304 3.995 20 30 HHEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cc2c(cc1Br)OCCO2 ZINC000538181142 1013739828 /nfs/dbraw/zinc/73/98/28/1013739828.db2.gz VOYBGLXZCJUKNI-CYBMUJFWSA-N 1 0 403.276 3.822 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000538188155 1013746458 /nfs/dbraw/zinc/74/64/58/1013746458.db2.gz MICAQLAUJHHLKD-IBGZPJMESA-N 1 0 417.513 3.868 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000046608963 967879372 /nfs/dbraw/zinc/87/93/72/967879372.db2.gz LOKIHNLDMNFNBG-INIZCTEOSA-N 1 0 416.472 3.994 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000046815400 967977360 /nfs/dbraw/zinc/97/73/60/967977360.db2.gz VRGGHGPPEALQPA-UHFFFAOYSA-N 1 0 421.541 3.769 20 30 HHEDRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542941719 1013774896 /nfs/dbraw/zinc/77/48/96/1013774896.db2.gz DNJUFXWZLDIPGF-HTAPYJJXSA-N 1 0 407.514 3.580 20 30 HHEDRO CCC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000047740028 968293580 /nfs/dbraw/zinc/29/35/80/968293580.db2.gz OPSWPXNPXLQPCT-UHFFFAOYSA-N 1 0 418.541 3.648 20 30 HHEDRO COc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000048093813 968420291 /nfs/dbraw/zinc/42/02/91/968420291.db2.gz MEGSVTWVYOQWLT-QFIPXVFZSA-N 1 0 409.555 3.753 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccccc1 ZINC000538259393 1013801551 /nfs/dbraw/zinc/80/15/51/1013801551.db2.gz GMPGHBYOKAXTIZ-FCHUYYIVSA-N 1 0 418.603 3.632 20 30 HHEDRO Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c(C#N)c(C)c1C ZINC000065893715 968703263 /nfs/dbraw/zinc/70/32/63/968703263.db2.gz KCGQQDTURKZVBH-UHFFFAOYSA-N 1 0 414.550 3.700 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000065930605 968720778 /nfs/dbraw/zinc/72/07/78/968720778.db2.gz FGIPJPWYGBWCKJ-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1-c1ccccc1C ZINC000065930568 968720819 /nfs/dbraw/zinc/72/08/19/968720819.db2.gz XQWKQXSGPHFQAV-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)n1CC(F)(F)F ZINC000065930823 968721500 /nfs/dbraw/zinc/72/15/00/968721500.db2.gz STOYUWTZKLELPS-UHFFFAOYSA-N 1 0 406.452 3.743 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000065936817 968725633 /nfs/dbraw/zinc/72/56/33/968725633.db2.gz XKHCPUWWQIZULX-UHFFFAOYSA-N 1 0 415.969 3.590 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccc(C#N)cc1 ZINC000065938823 968729116 /nfs/dbraw/zinc/72/91/16/968729116.db2.gz SHNVMWMEOOFTGH-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1Cl ZINC000065964600 968740452 /nfs/dbraw/zinc/74/04/52/968740452.db2.gz FLQQJITXEGLTHR-UHFFFAOYSA-N 1 0 416.953 3.701 20 30 HHEDRO CN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554172203 1013834819 /nfs/dbraw/zinc/83/48/19/1013834819.db2.gz RBRNUHOZMSCEST-CBQGHPETSA-N 1 0 417.513 3.899 20 30 HHEDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)cc1 ZINC000097494649 969147483 /nfs/dbraw/zinc/14/74/83/969147483.db2.gz KVABSBBIOBAKLM-LJQANCHMSA-N 1 0 424.520 3.682 20 30 HHEDRO NC(=NOCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1C[NH+]1CCCCC1 ZINC000109392278 969511102 /nfs/dbraw/zinc/51/11/02/969511102.db2.gz PGTFWUFALFXQPW-QHCPKHFHSA-N 1 0 420.557 3.503 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000110391464 969661753 /nfs/dbraw/zinc/66/17/53/969661753.db2.gz OTCUPJKEBBCEOO-KRWDZBQOSA-N 1 0 409.509 3.916 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000110938102 969743647 /nfs/dbraw/zinc/74/36/47/969743647.db2.gz JKTYKPSBUNSQCF-IRLDBZIGSA-N 1 0 418.541 3.665 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000110938099 969743696 /nfs/dbraw/zinc/74/36/96/969743696.db2.gz JKTYKPSBUNSQCF-UNMCSNQZSA-N 1 0 418.541 3.665 20 30 HHEDRO C#CC[N@@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000110981589 969753699 /nfs/dbraw/zinc/75/36/99/969753699.db2.gz UDVXMQWSUBAHQD-HXUWFJFHSA-N 1 0 408.498 3.664 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1C#N ZINC000111192489 969797840 /nfs/dbraw/zinc/79/78/40/969797840.db2.gz CFNRACYHHBCKRS-OAQYLSRUSA-N 1 0 411.594 3.981 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195674252 969947614 /nfs/dbraw/zinc/94/76/14/969947614.db2.gz JPPRQLSPKDZEHF-AZUAARDMSA-N 1 0 404.297 3.784 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCCCC1 ZINC000195674010 969947664 /nfs/dbraw/zinc/94/76/64/969947664.db2.gz GUECYNPHXYSBQF-LJQANCHMSA-N 1 0 412.578 3.868 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000195674253 969947744 /nfs/dbraw/zinc/94/77/44/969947744.db2.gz JPPRQLSPKDZEHF-ICSRJNTNSA-N 1 0 404.297 3.784 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1ccccc1C#N ZINC000195686505 969956995 /nfs/dbraw/zinc/95/69/95/969956995.db2.gz DUJYXVWRODKCTM-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000554409351 1013937650 /nfs/dbraw/zinc/93/76/50/1013937650.db2.gz OPYXXYOYXWNSNG-FQEVSTJZSA-N 1 0 403.526 3.840 20 30 HHEDRO C=CCSc1ccccc1NC(=O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000141455217 970116511 /nfs/dbraw/zinc/11/65/11/970116511.db2.gz NNMQYMKEOWTOBP-UHFFFAOYSA-N 1 0 401.601 3.825 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000236682101 970155102 /nfs/dbraw/zinc/15/51/02/970155102.db2.gz NAGWANLZDZTOCB-UHFFFAOYSA-N 1 0 420.600 3.820 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CC1 ZINC000144299887 970227559 /nfs/dbraw/zinc/22/75/59/970227559.db2.gz AKWABQPIXVRDHL-UHFFFAOYSA-N 1 0 408.502 3.891 20 30 HHEDRO COc1ccccc1[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N(C)C ZINC000237212799 970243198 /nfs/dbraw/zinc/24/31/98/970243198.db2.gz KEXXDPANTNOJMH-JOCHJYFZSA-N 1 0 403.530 3.865 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000554515175 1013969984 /nfs/dbraw/zinc/96/99/84/1013969984.db2.gz ZWNLXCLTWWJWCP-FQEVSTJZSA-N 1 0 405.926 3.816 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCNC(=O)c2cccc(F)c2)c(-c2ccccc2)n1 ZINC000237728808 970348755 /nfs/dbraw/zinc/34/87/55/970348755.db2.gz YOXKQRRWBUPQQY-UHFFFAOYSA-N 1 0 405.477 3.513 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2csc(N3CCCC3)n2)c(-c2ccccc2)n1 ZINC000237830381 970376348 /nfs/dbraw/zinc/37/63/48/970376348.db2.gz BYOZMHSELYBRPT-UHFFFAOYSA-N 1 0 406.559 3.853 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000554594429 1013985602 /nfs/dbraw/zinc/98/56/02/1013985602.db2.gz IMLSEFLRUBFAIS-NRFANRHFSA-N 1 0 405.546 3.731 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[NH+]2CCC(C)CC2)cc1C ZINC000149902769 970416145 /nfs/dbraw/zinc/41/61/45/970416145.db2.gz WYLPSQNAHMIXII-UHFFFAOYSA-N 1 0 407.562 3.932 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)nc1 ZINC000238005658 970416315 /nfs/dbraw/zinc/41/63/15/970416315.db2.gz AIMUEZMUVRHXMN-UHFFFAOYSA-N 1 0 420.498 3.744 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[NH+](C3CCCC3)CC2)cc1C ZINC000150155180 970430411 /nfs/dbraw/zinc/43/04/11/970430411.db2.gz HWIMHQNZIDLFMS-UHFFFAOYSA-N 1 0 405.546 3.781 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000195562661 970514775 /nfs/dbraw/zinc/51/47/75/970514775.db2.gz AHFRWTSFPWVRPR-UHFFFAOYSA-N 1 0 421.438 3.969 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000303978586 972564221 /nfs/dbraw/zinc/56/42/21/972564221.db2.gz MLIACBNQWAQRFX-NRFANRHFSA-N 1 0 416.953 3.927 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)c2c(Cl)cccc2Cl)CC1 ZINC000303985282 972568548 /nfs/dbraw/zinc/56/85/48/972568548.db2.gz SVDGXNIBJURVNK-LBPRGKRZSA-N 1 0 401.338 3.622 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000304473479 972600956 /nfs/dbraw/zinc/60/09/56/972600956.db2.gz FNVMVJZMRWRTHS-UHFFFAOYSA-N 1 0 414.937 3.557 20 30 HHEDRO CCCC(=O)Nc1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304490933 972601296 /nfs/dbraw/zinc/60/12/96/972601296.db2.gz NNEDEBQBYOVAMD-UHFFFAOYSA-N 1 0 408.424 3.928 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@@H](CNC(=[NH2+])Nc3cccc4c3CCCC4)C2)c1 ZINC000305018139 972608203 /nfs/dbraw/zinc/60/82/03/972608203.db2.gz MSUSANVCIMAMPW-KRWDZBQOSA-N 1 0 408.546 3.836 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](O)COc2ccccc2Br)c1 ZINC000305092921 972609772 /nfs/dbraw/zinc/60/97/72/972609772.db2.gz YSKFYSAAYSFRRQ-INIZCTEOSA-N 1 0 406.324 3.739 20 30 HHEDRO [NH2+]=C(NCCOc1ccc(C(F)(F)F)cn1)Nc1ccccc1OC(F)(F)F ZINC000305255568 972611454 /nfs/dbraw/zinc/61/14/54/972611454.db2.gz WJBRFTRVGKENPK-UHFFFAOYSA-N 1 0 408.302 3.805 20 30 HHEDRO C[C@H]1CN(Cc2cccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)c2)CCO1 ZINC000305238998 972611650 /nfs/dbraw/zinc/61/16/50/972611650.db2.gz PKDJUKIVOAXQLF-HNNXBMFYSA-N 1 0 422.451 3.733 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000409463615 972910464 /nfs/dbraw/zinc/91/04/64/972910464.db2.gz LUFXLYWEYVHUTQ-LJQANCHMSA-N 1 0 413.525 3.906 20 30 HHEDRO N#Cc1cccc(-n2ccc(C(=O)N3CCC[N@H+](CCCc4ccccc4)CC3)n2)c1 ZINC000409641833 973091733 /nfs/dbraw/zinc/09/17/33/973091733.db2.gz ZKFXRKWLZGQOHN-UHFFFAOYSA-N 1 0 413.525 3.525 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000409649273 973099877 /nfs/dbraw/zinc/09/98/77/973099877.db2.gz CBPZJKAEGZNCPH-TZIWHRDSSA-N 1 0 403.364 3.810 20 30 HHEDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409744062 973220053 /nfs/dbraw/zinc/22/00/53/973220053.db2.gz CSZACBXLOZLSDU-UGKGYDQZSA-N 1 0 413.525 3.869 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)NC1(C#N)CCCCC1 ZINC000409874542 973341537 /nfs/dbraw/zinc/34/15/37/973341537.db2.gz KBMYQQRQQZHBDW-XJKSGUPXSA-N 1 0 406.324 3.593 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1C(F)(F)F ZINC000410157436 973647028 /nfs/dbraw/zinc/64/70/28/973647028.db2.gz KGVNWXUVJLFCHM-UHFFFAOYSA-N 1 0 415.481 3.652 20 30 HHEDRO N#Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)ccc1C(F)(F)F ZINC000410329212 973895675 /nfs/dbraw/zinc/89/56/75/973895675.db2.gz GQJKOOXKHKSKLG-MRXNPFEDSA-N 1 0 421.444 3.750 20 30 HHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000425913238 974026690 /nfs/dbraw/zinc/02/66/90/974026690.db2.gz FFYMUOOMPBQNCT-SFHVURJKSA-N 1 0 421.314 3.675 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C[C@@H](C)O1 ZINC000426158742 974272586 /nfs/dbraw/zinc/27/25/86/974272586.db2.gz DYXNAGRLNRLTNP-HZPDHXFCSA-N 1 0 404.942 3.955 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000426543744 974519299 /nfs/dbraw/zinc/51/92/99/974519299.db2.gz KCZOVPNJSJSQTN-GDLZYMKVSA-N 1 0 412.559 3.694 20 30 HHEDRO C=CC[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000426845993 974707806 /nfs/dbraw/zinc/70/78/06/974707806.db2.gz QRKLRDYLOCZROE-HSZRJFAPSA-N 1 0 411.590 3.577 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427245950 975002251 /nfs/dbraw/zinc/00/22/51/975002251.db2.gz LAWODIFQYCYQOS-UHFFFAOYSA-N 1 0 412.541 3.789 20 30 HHEDRO CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000428337976 975648832 /nfs/dbraw/zinc/64/88/32/975648832.db2.gz WPEVTGUULGDQQM-RTWAWAEBSA-N 1 0 400.592 3.840 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)cc(OC)c1O ZINC000428535641 975833820 /nfs/dbraw/zinc/83/38/20/975833820.db2.gz LQAGCTFIYMLMQN-QGZVFWFLSA-N 1 0 420.347 3.833 20 30 HHEDRO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)cc1F ZINC000428775705 976048708 /nfs/dbraw/zinc/04/87/08/976048708.db2.gz AQGKIMJSGNBGNJ-GOSISDBHSA-N 1 0 407.449 3.537 20 30 HHEDRO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000428791277 976066404 /nfs/dbraw/zinc/06/64/04/976066404.db2.gz ZHHAAOPIRDGFOF-GTNSWQLSSA-N 1 0 422.710 3.624 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@@H+](C4CCC4)C[C@@H](C)C3)sc2C1 ZINC000429383555 976656706 /nfs/dbraw/zinc/65/67/06/976656706.db2.gz RADNMCIDPWHQFJ-IRXDYDNUSA-N 1 0 414.619 3.879 20 30 HHEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000429472358 976738093 /nfs/dbraw/zinc/73/80/93/976738093.db2.gz PASULJUXPMASSH-OAQYLSRUSA-N 1 0 405.502 3.759 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000429508295 976764012 /nfs/dbraw/zinc/76/40/12/976764012.db2.gz MUNXEZNHDVCESN-UHFFFAOYSA-N 1 0 422.455 3.649 20 30 HHEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C1CCCC1 ZINC000429803309 977078898 /nfs/dbraw/zinc/07/88/98/977078898.db2.gz FIWBYFYNIRVMFF-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000429810844 977085606 /nfs/dbraw/zinc/08/56/06/977085606.db2.gz CBHLXESZZTXDLK-KNQAVFIVSA-N 1 0 413.525 3.857 20 30 HHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000429831100 977101508 /nfs/dbraw/zinc/10/15/08/977101508.db2.gz XWTJKDCZGPCPOA-UHFFFAOYSA-N 1 0 400.935 3.960 20 30 HHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000430107230 977321515 /nfs/dbraw/zinc/32/15/15/977321515.db2.gz RMPKVUWCQMXCHV-XMMPIXPASA-N 1 0 408.498 3.694 20 30 HHEDRO CCOc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(F)(F)F ZINC000430185666 977378050 /nfs/dbraw/zinc/37/80/50/977378050.db2.gz HSASHHKWOWPNBQ-QGZVFWFLSA-N 1 0 421.419 3.946 20 30 HHEDRO COc1ccccc1N(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000430680337 977690876 /nfs/dbraw/zinc/69/08/76/977690876.db2.gz RVZJQSCXSGGJBB-UHFFFAOYSA-N 1 0 419.934 3.510 20 30 HHEDRO Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000431156312 978056984 /nfs/dbraw/zinc/05/69/84/978056984.db2.gz KIPKDHYLEIGRSA-LEWJYISDSA-N 1 0 406.534 3.762 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431224088 978105012 /nfs/dbraw/zinc/10/50/12/978105012.db2.gz MJOOOWAJRXJAOL-WTIAFYNJSA-N 1 0 403.526 3.568 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCC(F)(F)F)c1 ZINC000431786154 978512064 /nfs/dbraw/zinc/51/20/64/978512064.db2.gz RAFHGSSPNZWGHW-UHFFFAOYSA-N 1 0 405.420 3.703 20 30 HHEDRO N#CCCC[C@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000431851848 978552908 /nfs/dbraw/zinc/55/29/08/978552908.db2.gz RZGOKYCNLRLMMG-DEOSSOPVSA-N 1 0 419.573 3.933 20 30 HHEDRO C=CCN1C(=O)N([C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431956111 978617816 /nfs/dbraw/zinc/61/78/16/978617816.db2.gz BGIYKXQPNPUVAB-FGCOXFRFSA-N 1 0 417.553 3.959 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000431983174 978630875 /nfs/dbraw/zinc/63/08/75/978630875.db2.gz VENCENGINYSRQC-ROUUACIJSA-N 1 0 418.541 3.600 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000432073049 978669354 /nfs/dbraw/zinc/66/93/54/978669354.db2.gz VRYFVACNIHFBRV-INIZCTEOSA-N 1 0 411.531 3.839 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000432588806 978902502 /nfs/dbraw/zinc/90/25/02/978902502.db2.gz FKLBZGDNJQIDLN-QFIPXVFZSA-N 1 0 404.514 3.620 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000432719022 978947247 /nfs/dbraw/zinc/94/72/47/978947247.db2.gz MACHUSMPQASIQO-AWEZNQCLSA-N 1 0 410.440 3.837 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000432769417 978968242 /nfs/dbraw/zinc/96/82/42/978968242.db2.gz RWJHWXOBMDBQCX-IBGZPJMESA-N 1 0 410.562 3.839 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1 ZINC000433011457 979041387 /nfs/dbraw/zinc/04/13/87/979041387.db2.gz ORUKSTIMBZUJKG-HSZRJFAPSA-N 1 0 424.589 3.699 20 30 HHEDRO Cc1cc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000433035681 979048383 /nfs/dbraw/zinc/04/83/83/979048383.db2.gz NMZZHSWYZDXPPU-FQEVSTJZSA-N 1 0 417.517 3.551 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H](O)Cc1ccccc1 ZINC000433072788 979058473 /nfs/dbraw/zinc/05/84/73/979058473.db2.gz QAPSZFXWFZOVPW-GOSISDBHSA-N 1 0 411.571 3.753 20 30 HHEDRO Cc1oc(NC(=O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433193616 979133002 /nfs/dbraw/zinc/13/30/02/979133002.db2.gz RNFDXDVOQBEARU-UHFFFAOYSA-N 1 0 406.530 3.695 20 30 HHEDRO O[C@H](COCC(F)(F)F)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000433196522 979135198 /nfs/dbraw/zinc/13/51/98/979135198.db2.gz KLAQUJFIMQTKMT-LBPRGKRZSA-N 1 0 403.338 3.906 20 30 HHEDRO COc1ccc(C(C)(C)C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000433311293 979229343 /nfs/dbraw/zinc/22/93/43/979229343.db2.gz GNTRIOPLOOBYJB-UHFFFAOYSA-N 1 0 419.529 3.943 20 30 HHEDRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433320218 979234821 /nfs/dbraw/zinc/23/48/21/979234821.db2.gz RHSKAIKUPRXHFE-UHFFFAOYSA-N 1 0 402.502 3.743 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000433335345 979244640 /nfs/dbraw/zinc/24/46/40/979244640.db2.gz PJCTTYVLJYDZMA-GOSISDBHSA-N 1 0 404.493 3.614 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000433342107 979250168 /nfs/dbraw/zinc/25/01/68/979250168.db2.gz VBABMEYSNIWXRN-HXUWFJFHSA-N 1 0 406.921 3.881 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCO1 ZINC000433519597 979354186 /nfs/dbraw/zinc/35/41/86/979354186.db2.gz VXCLOLLIABLCCW-GOSISDBHSA-N 1 0 408.502 3.973 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH2+][C@@H](C)c1ccccc1 ZINC000433887442 979651775 /nfs/dbraw/zinc/65/17/75/979651775.db2.gz HWOBXUYGULDABJ-QFBILLFUSA-N 1 0 410.493 3.518 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH2+][C@H](C)c1ccccc1 ZINC000433888147 979653035 /nfs/dbraw/zinc/65/30/35/979653035.db2.gz NRFVJGLSZFBYLA-MRXNPFEDSA-N 1 0 410.493 3.662 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ncc4n3CCCC4)CC1)CCC2 ZINC000434689903 980342176 /nfs/dbraw/zinc/34/21/76/980342176.db2.gz DAURFJUFZAOGLH-UHFFFAOYSA-N 1 0 423.586 3.849 20 30 HHEDRO CSc1ccccc1NC(=O)CN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434825139 980425315 /nfs/dbraw/zinc/42/53/15/980425315.db2.gz AVYAVHDGADKOBY-UHFFFAOYSA-N 1 0 420.542 3.651 20 30 HHEDRO COC(=O)[C@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000434866341 980456737 /nfs/dbraw/zinc/45/67/37/980456737.db2.gz CGFXGYCOMISGPN-HSZRJFAPSA-N 1 0 420.513 3.699 20 30 HHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000434983250 980548305 /nfs/dbraw/zinc/54/83/05/980548305.db2.gz QETYSXXXRCBORM-SJORKVTESA-N 1 0 400.592 3.776 20 30 HHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1Oc1ccccc1 ZINC000434983779 980548371 /nfs/dbraw/zinc/54/83/71/980548371.db2.gz TWAKPDFOXBHNKG-AKFKNWHVSA-N 1 0 417.513 3.573 20 30 HHEDRO CN(c1ccccc1CN1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000434985091 980550198 /nfs/dbraw/zinc/55/01/98/980550198.db2.gz FYEBOQJJGNEPPQ-SANMLTNESA-N 1 0 417.601 3.599 20 30 HHEDRO COc1cccc(NC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000435131173 980662075 /nfs/dbraw/zinc/66/20/75/980662075.db2.gz YLPFPRWVMLWPME-UHFFFAOYSA-N 1 0 416.529 3.944 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000435158836 980687156 /nfs/dbraw/zinc/68/71/56/980687156.db2.gz WJWVXNJPYFITEU-FMKPAKJESA-N 1 0 415.481 3.603 20 30 HHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435165132 980692290 /nfs/dbraw/zinc/69/22/90/980692290.db2.gz MSYPDBTWEDENOL-UHFFFAOYSA-N 1 0 401.514 3.920 20 30 HHEDRO N#Cc1cc(F)c(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000435379783 980828379 /nfs/dbraw/zinc/82/83/79/980828379.db2.gz NKVBYNIHIMQFSE-QGZVFWFLSA-N 1 0 407.424 3.732 20 30 HHEDRO CC(C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000435420731 980854156 /nfs/dbraw/zinc/85/41/56/980854156.db2.gz FRTMAOYDJYVBKF-QHCPKHFHSA-N 1 0 405.546 3.610 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435512210 980910458 /nfs/dbraw/zinc/91/04/58/980910458.db2.gz VKMFEWJBXCIRGP-UHFFFAOYSA-N 1 0 410.562 3.539 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435525990 980920369 /nfs/dbraw/zinc/92/03/69/980920369.db2.gz MCZKOTVPZADTAD-UHFFFAOYSA-N 1 0 415.578 3.676 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]34)CC2)cc1 ZINC000435801576 981037228 /nfs/dbraw/zinc/03/72/28/981037228.db2.gz WATJNJSGNKUYCR-RBZQAINGSA-N 1 0 400.526 3.504 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000436283557 981283292 /nfs/dbraw/zinc/28/32/92/981283292.db2.gz LRNQMBYZMYRBPZ-AZOIQLNYSA-N 1 0 408.564 3.830 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436373680 981333980 /nfs/dbraw/zinc/33/39/80/981333980.db2.gz TUEGEKISMLJSDT-GIWBLDEGSA-N 1 0 423.561 3.741 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448223557 981637970 /nfs/dbraw/zinc/63/79/70/981637970.db2.gz OQKGVFSSUBZHOD-PXNSSMCTSA-N 1 0 405.464 3.715 20 30 HHEDRO Cn1ccc([C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccc(F)cc2)n1 ZINC000437086039 981754687 /nfs/dbraw/zinc/75/46/87/981754687.db2.gz IYMHNXWJCWHLSJ-QETWGEEDSA-N 1 0 405.477 3.895 20 30 HHEDRO CC(=O)NCCc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437110098 981766567 /nfs/dbraw/zinc/76/65/67/981766567.db2.gz ZSFRELRKXOUNKJ-UIFUMHDPSA-N 1 0 406.530 3.673 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000460215733 981990790 /nfs/dbraw/zinc/99/07/90/981990790.db2.gz ZTNXQBPMBHQOKZ-IBGZPJMESA-N 1 0 408.546 3.846 20 30 HHEDRO COc1cc(CNC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000460366179 982142281 /nfs/dbraw/zinc/14/22/81/982142281.db2.gz YRBCRGLVVCVHSI-ROUUACIJSA-N 1 0 406.530 3.523 20 30 HHEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460367666 982143788 /nfs/dbraw/zinc/14/37/88/982143788.db2.gz CDHONVJWVVJVSC-UHFFFAOYSA-N 1 0 405.546 3.945 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC1(C)C ZINC000460390960 982171339 /nfs/dbraw/zinc/17/13/39/982171339.db2.gz XBMMHWSJPIOSQX-UHFFFAOYSA-N 1 0 408.594 3.598 20 30 HHEDRO CC[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccc2)CC1 ZINC000460436055 982226759 /nfs/dbraw/zinc/22/67/59/982226759.db2.gz HIMGTEDFLFVGBE-UHFFFAOYSA-N 1 0 400.530 3.591 20 30 HHEDRO N#Cc1csc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c1 ZINC000437682994 982295272 /nfs/dbraw/zinc/29/52/72/982295272.db2.gz PKVQHGCGDUGCAZ-UHFFFAOYSA-N 1 0 403.511 3.589 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460543348 982330231 /nfs/dbraw/zinc/33/02/31/982330231.db2.gz IKJBJMGXRURKLR-MOPGFXCFSA-N 1 0 411.550 3.505 20 30 HHEDRO C=C(C)Cn1c(N2CCC[C@H](C[NH+]3CCOCC3)C2)nnc1C(C)(C)c1ccccc1 ZINC000460562840 982348576 /nfs/dbraw/zinc/34/85/76/982348576.db2.gz BPNYTJNEDXUIGA-OAQYLSRUSA-N 1 0 423.605 3.729 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)[C@H](C)C1 ZINC000460631930 982409155 /nfs/dbraw/zinc/40/91/55/982409155.db2.gz UFXUSQKUMRLDNE-WIYYLYMNSA-N 1 0 410.566 3.551 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460724295 982479005 /nfs/dbraw/zinc/47/90/05/982479005.db2.gz ZQJDRYAHBVLYNQ-NQIIRXRSSA-N 1 0 410.566 3.552 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCCCC[N@H+]3CCC[C@@H]3CO)c2)cc1 ZINC000438021933 982528971 /nfs/dbraw/zinc/52/89/71/982528971.db2.gz IFKBKSBNCOPLBK-HXUWFJFHSA-N 1 0 408.502 3.709 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460781795 982534119 /nfs/dbraw/zinc/53/41/19/982534119.db2.gz KRARVQFRUJNKKL-UHFFFAOYSA-N 1 0 404.356 3.816 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460790108 982543089 /nfs/dbraw/zinc/54/30/89/982543089.db2.gz ZZTJCIXYOWSUTE-NRFANRHFSA-N 1 0 402.546 3.935 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460791218 982544546 /nfs/dbraw/zinc/54/45/46/982544546.db2.gz FHTSZDWMALBEMV-RXVVDRJESA-N 1 0 410.566 3.552 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460806082 982559366 /nfs/dbraw/zinc/55/93/66/982559366.db2.gz OHRKYIBHNAJQJV-QZTJIDSGSA-N 1 0 401.530 3.881 20 30 HHEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460809775 982563330 /nfs/dbraw/zinc/56/33/30/982563330.db2.gz OOFUNAZDRBIUCU-OAQYLSRUSA-N 1 0 423.605 3.719 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460928173 982666257 /nfs/dbraw/zinc/66/62/57/982666257.db2.gz AICNVEGBOFKALM-QZTJIDSGSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460948643 982683487 /nfs/dbraw/zinc/68/34/87/982683487.db2.gz JTCZIRSVVHUFLL-LJQANCHMSA-N 1 0 403.534 3.584 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460949992 982684615 /nfs/dbraw/zinc/68/46/15/982684615.db2.gz OGYWSLUOGNYTSO-UHFFFAOYSA-N 1 0 409.578 3.908 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460959084 982690825 /nfs/dbraw/zinc/69/08/25/982690825.db2.gz JQQLASVGPWHGAH-NRFANRHFSA-N 1 0 416.573 3.941 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460959841 982691934 /nfs/dbraw/zinc/69/19/34/982691934.db2.gz PWIARTDFZLBVBQ-SIKLNZKXSA-N 1 0 419.577 3.744 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000438327091 982725587 /nfs/dbraw/zinc/72/55/87/982725587.db2.gz XHMNJKXPNCAYDX-XPPIMPSXSA-N 1 0 418.541 3.987 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000438385845 982757701 /nfs/dbraw/zinc/75/77/01/982757701.db2.gz FMLLVDCREARMKV-GHTZIAJQSA-N 1 0 414.912 3.980 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000438442078 982795065 /nfs/dbraw/zinc/79/50/65/982795065.db2.gz IKZLVHRNGNBROP-IEBWSBKVSA-N 1 0 413.484 3.760 20 30 HHEDRO Cc1nc(COc2ccc(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)cc2)no1 ZINC000438471248 982822233 /nfs/dbraw/zinc/82/22/33/982822233.db2.gz KXVJDYKHAOKADY-UHFFFAOYSA-N 1 0 419.485 3.704 20 30 HHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO1 ZINC000461145133 982851011 /nfs/dbraw/zinc/85/10/11/982851011.db2.gz FIEJRBGZMPAIHB-SIKLNZKXSA-N 1 0 422.577 3.555 20 30 HHEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)c(C#N)c1C ZINC000438542249 982881058 /nfs/dbraw/zinc/88/10/58/982881058.db2.gz TXNREOQECFDJGW-QHGAOEGBSA-N 1 0 400.567 3.928 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000438661520 982979345 /nfs/dbraw/zinc/97/93/45/982979345.db2.gz SIPBNLOLYSFKLU-VQIMIIECSA-N 1 0 424.932 3.834 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000438666283 982984895 /nfs/dbraw/zinc/98/48/95/982984895.db2.gz HLOPLMDRRDCLOY-UHFFFAOYSA-N 1 0 424.545 3.724 20 30 HHEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 ZINC000461301150 983001358 /nfs/dbraw/zinc/00/13/58/983001358.db2.gz ZLEYYVMIERSWKQ-FXAWDEMLSA-N 1 0 418.570 3.990 20 30 HHEDRO Cc1cc(Sc2ccccc2)ccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000438749786 983043250 /nfs/dbraw/zinc/04/32/50/983043250.db2.gz GTNSPKYMCOGMTP-UHFFFAOYSA-N 1 0 424.570 3.779 20 30 HHEDRO Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000438835924 983105173 /nfs/dbraw/zinc/10/51/73/983105173.db2.gz OMYDWAGJEGPLIT-UHFFFAOYSA-N 1 0 408.477 3.685 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+](C)C)cc1OC ZINC000438862832 983128643 /nfs/dbraw/zinc/12/86/43/983128643.db2.gz XPBFAAJXIJMDQH-VQTJNVASSA-N 1 0 410.518 3.651 20 30 HHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1C ZINC000461497565 983149047 /nfs/dbraw/zinc/14/90/47/983149047.db2.gz PYWADARHGYRGHS-IRXDYDNUSA-N 1 0 406.559 3.845 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](OCc3ccncc3)C1)CCCCC2 ZINC000439000366 983202632 /nfs/dbraw/zinc/20/26/32/983202632.db2.gz AEFWCMFYQFKWJX-SFHVURJKSA-N 1 0 424.570 3.903 20 30 HHEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)CCOCC1 ZINC000439576950 983457683 /nfs/dbraw/zinc/45/76/83/983457683.db2.gz YDHZDZUVOBIVAK-NRFANRHFSA-N 1 0 405.542 3.968 20 30 HHEDRO COc1ccc(NC(=O)[C@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000439638900 983479622 /nfs/dbraw/zinc/47/96/22/983479622.db2.gz XNLBROGTSAEDBK-HSZRJFAPSA-N 1 0 401.466 3.915 20 30 HHEDRO CCCc1c(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439668348 983493117 /nfs/dbraw/zinc/49/31/17/983493117.db2.gz DSVHZZFXWYSNPR-FQEVSTJZSA-N 1 0 406.534 3.789 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439684108 983500280 /nfs/dbraw/zinc/50/02/80/983500280.db2.gz KBPXRXHZIVKHFC-IBGZPJMESA-N 1 0 406.534 3.646 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440668331 983846052 /nfs/dbraw/zinc/84/60/52/983846052.db2.gz VGRCAUFKYQOCHT-INIZCTEOSA-N 1 0 417.351 3.806 20 30 HHEDRO COc1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)ccc1C#N ZINC000440803967 983913823 /nfs/dbraw/zinc/91/38/23/983913823.db2.gz BCIAACOWBJHCEJ-UHFFFAOYSA-N 1 0 402.292 3.756 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000440819725 983921263 /nfs/dbraw/zinc/92/12/63/983921263.db2.gz WVYLOQQAFAKIEK-HXOBKFHXSA-N 1 0 409.555 3.691 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(F)cc1Br ZINC000440876636 983947078 /nfs/dbraw/zinc/94/70/78/983947078.db2.gz BKOVSHBBUGUYTF-UHFFFAOYSA-N 1 0 422.273 3.803 20 30 HHEDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000440907603 983964701 /nfs/dbraw/zinc/96/47/01/983964701.db2.gz XGOUZCDRBXRQJL-UHFFFAOYSA-N 1 0 410.518 3.616 20 30 HHEDRO C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000440987153 984013144 /nfs/dbraw/zinc/01/31/44/984013144.db2.gz WKYSPPLCBMMKMH-IBGZPJMESA-N 1 0 419.573 3.611 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000441227630 984125717 /nfs/dbraw/zinc/12/57/17/984125717.db2.gz LYXKCEHEIDZJNM-BRWVUGGUSA-N 1 0 401.576 3.822 20 30 HHEDRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000441242002 984133712 /nfs/dbraw/zinc/13/37/12/984133712.db2.gz ZMJPORGYSOECBZ-DVECYGJZSA-N 1 0 419.573 3.823 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441274387 984153431 /nfs/dbraw/zinc/15/34/31/984153431.db2.gz FJJCZQQYVSTHQS-OALUTQOASA-N 1 0 424.520 3.792 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441407015 984236294 /nfs/dbraw/zinc/23/62/94/984236294.db2.gz ZBOOSHALJMXFPZ-AWRGLXIESA-N 1 0 408.590 3.887 20 30 HHEDRO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC[C@H]([C@H]3CCOC3)C1)CCCC2 ZINC000441665371 984382531 /nfs/dbraw/zinc/38/25/31/984382531.db2.gz RYWFONSJEFUPQE-OALUTQOASA-N 1 0 418.541 3.525 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCO2)C[C@@H]1C ZINC000461675921 984693004 /nfs/dbraw/zinc/69/30/04/984693004.db2.gz ZYFYPYROJUTNSU-NYVOZVTQSA-N 1 0 422.577 3.695 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924054 984934179 /nfs/dbraw/zinc/93/41/79/984934179.db2.gz ZLGRVDLDOKEWCU-SJORKVTESA-N 1 0 409.452 3.776 20 30 HHEDRO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)ccc1C#N ZINC000443070052 985360795 /nfs/dbraw/zinc/36/07/95/985360795.db2.gz QDAQWQRLNNPYMA-AUSIDOKSSA-N 1 0 401.470 3.566 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000462470852 985428300 /nfs/dbraw/zinc/42/83/00/985428300.db2.gz FHXQUAYYFWWXMN-UHFFFAOYSA-N 1 0 400.548 3.682 20 30 HHEDRO C[C@H](C(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000462547896 985495760 /nfs/dbraw/zinc/49/57/60/985495760.db2.gz JLSYBXJRQKGTJM-NJYVYQBISA-N 1 0 419.569 3.987 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)ccc1OC ZINC000462759730 985698213 /nfs/dbraw/zinc/69/82/13/985698213.db2.gz YYFUUZXSCDHIFD-BHIFYINESA-N 1 0 406.526 3.897 20 30 HHEDRO C[N@H+](CCNC(=O)C1CCN(c2ccc(C#N)c(Cl)c2)CC1)Cc1ccccc1 ZINC000462913556 985845423 /nfs/dbraw/zinc/84/54/23/985845423.db2.gz UKSVABXLJOKNCB-UHFFFAOYSA-N 1 0 410.949 3.676 20 30 HHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443674048 985881362 /nfs/dbraw/zinc/88/13/62/985881362.db2.gz KLCBQTFZEDKHGN-PMACEKPBSA-N 1 0 421.541 3.756 20 30 HHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000443836247 986034464 /nfs/dbraw/zinc/03/44/64/986034464.db2.gz GSWQNOLEBDUAQU-LAUBAEHRSA-N 1 0 406.530 3.542 20 30 HHEDRO Cc1cc(C[NH2+][C@H]2CCN([C@@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)ccc1C#N ZINC000443999124 986198286 /nfs/dbraw/zinc/19/82/86/986198286.db2.gz BCHVQJXZMHXAJY-FCHUYYIVSA-N 1 0 419.525 3.640 20 30 HHEDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)C2)n(C)n1 ZINC000444002721 986200534 /nfs/dbraw/zinc/20/05/34/986200534.db2.gz GIFGYONFWIOECV-HSZRJFAPSA-N 1 0 415.541 3.938 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3C[C@H](F)CN3Cc3cccs3)CC2)cc1 ZINC000463285741 986252537 /nfs/dbraw/zinc/25/25/37/986252537.db2.gz TZSRYFMSGUPZRB-UNMCSNQZSA-N 1 0 412.578 3.786 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@](CO)(c3ccccc3)C2)sc2c1CCCCC2 ZINC000463364626 986331086 /nfs/dbraw/zinc/33/10/86/986331086.db2.gz FCNOKLDNMJCEHX-DEOSSOPVSA-N 1 0 423.582 3.853 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444197051 986375131 /nfs/dbraw/zinc/37/51/31/986375131.db2.gz RHIMNBLBICWCII-MOPGFXCFSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444209098 986390909 /nfs/dbraw/zinc/39/09/09/986390909.db2.gz ZLYZQUSXMQEEAI-RTBURBONSA-N 1 0 400.592 3.685 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444209092 986390932 /nfs/dbraw/zinc/39/09/32/986390932.db2.gz ZLYZQUSXMQEEAI-MOPGFXCFSA-N 1 0 400.592 3.685 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463429895 986401265 /nfs/dbraw/zinc/40/12/65/986401265.db2.gz LOPHOSPGLLSRIH-PXDATVDWSA-N 1 0 405.542 3.639 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccccc1SCC#N ZINC000444220023 986404492 /nfs/dbraw/zinc/40/44/92/986404492.db2.gz BKDJVEHWTCLKJI-LJQANCHMSA-N 1 0 408.571 3.837 20 30 HHEDRO CC(C)c1nn(C)c2sc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc12 ZINC000463485824 986461287 /nfs/dbraw/zinc/46/12/87/986461287.db2.gz VTBXLEBPDJSGQD-UHFFFAOYSA-N 1 0 409.559 3.834 20 30 HHEDRO C[C@H](NC(=O)c1cn(CCCC#N)c2ccccc12)C1([NH+]2CCOCC2)CCCC1 ZINC000444291474 986478809 /nfs/dbraw/zinc/47/88/09/986478809.db2.gz QOVKXXKYMUSMLX-IBGZPJMESA-N 1 0 408.546 3.708 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCCC1)C(=O)NC1(C#N)CCC1 ZINC000468802788 986511892 /nfs/dbraw/zinc/51/18/92/986511892.db2.gz CGTZCGXGXSQIIT-OAHLLOKOSA-N 1 0 404.352 3.801 20 30 HHEDRO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444392183 986567755 /nfs/dbraw/zinc/56/77/55/986567755.db2.gz OBAWSUPFLDPKHU-LJQANCHMSA-N 1 0 413.566 3.709 20 30 HHEDRO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468898988 986605050 /nfs/dbraw/zinc/60/50/50/986605050.db2.gz HEYLDAFEPZAOPJ-UWJYYQICSA-N 1 0 400.482 3.854 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000468952436 986656957 /nfs/dbraw/zinc/65/69/57/986656957.db2.gz KZVMTPDAIBPYKO-CVEARBPZSA-N 1 0 408.477 3.680 20 30 HHEDRO Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469018668 986726611 /nfs/dbraw/zinc/72/66/11/986726611.db2.gz MYIFPADMQYUDMB-UHFFFAOYSA-N 1 0 400.486 3.771 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000444739593 986907750 /nfs/dbraw/zinc/90/77/50/986907750.db2.gz DWDGHLGYMKEZKO-AWEZNQCLSA-N 1 0 424.302 3.796 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4nccn4C)C3)sc2C1 ZINC000444791410 986946209 /nfs/dbraw/zinc/94/62/09/986946209.db2.gz BMFAGBNQRFAZDI-HOTGVXAUSA-N 1 0 411.575 3.686 20 30 HHEDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1(C)C ZINC000444794400 986948602 /nfs/dbraw/zinc/94/86/02/986948602.db2.gz JTRVLXRHWLHZDG-NOZRDPDXSA-N 1 0 424.541 3.802 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000444899569 987048622 /nfs/dbraw/zinc/04/86/22/987048622.db2.gz IJZYLFLZDXWISH-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO CS[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@H]1[NH+]1CCCC1 ZINC000445600191 987669578 /nfs/dbraw/zinc/66/95/78/987669578.db2.gz IRJDXPALHUTGQF-MSOLQXFVSA-N 1 0 404.486 3.724 20 30 HHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000470214607 988140051 /nfs/dbraw/zinc/14/00/51/988140051.db2.gz FUPRNEYYQXPVSZ-FQEVSTJZSA-N 1 0 403.526 3.941 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464048588 988170116 /nfs/dbraw/zinc/17/01/16/988170116.db2.gz IIOUFVWTUKZLSE-HXUWFJFHSA-N 1 0 405.395 3.768 20 30 HHEDRO N#CC1(NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000464160536 988282661 /nfs/dbraw/zinc/28/26/61/988282661.db2.gz QBSDBFYXVKCZRW-ZWKOTPCHSA-N 1 0 413.443 3.882 20 30 HHEDRO N#CC1(NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000464160534 988282734 /nfs/dbraw/zinc/28/27/34/988282734.db2.gz QBSDBFYXVKCZRW-QZTJIDSGSA-N 1 0 413.443 3.882 20 30 HHEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccc(OC)cc1 ZINC000470449499 988428586 /nfs/dbraw/zinc/42/85/86/988428586.db2.gz IGZQMZZTSAMNOR-UHFFFAOYSA-N 1 0 415.607 3.648 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000470492076 988484563 /nfs/dbraw/zinc/48/45/63/988484563.db2.gz CUZSNINQKLUXMI-GOSISDBHSA-N 1 0 405.498 3.676 20 30 HHEDRO CC(C)(CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+]1CCCCC1 ZINC000470560295 988576802 /nfs/dbraw/zinc/57/68/02/988576802.db2.gz JYMSUNHQXIBSII-UHFFFAOYSA-N 1 0 411.550 3.656 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000464779540 989006857 /nfs/dbraw/zinc/00/68/57/989006857.db2.gz UJYUVJXYKAFLIZ-DLBZAZTESA-N 1 0 402.608 3.879 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C#N ZINC000470974682 989038870 /nfs/dbraw/zinc/03/88/70/989038870.db2.gz KLCSAEODILFYMN-OAQYLSRUSA-N 1 0 419.573 3.568 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000464854985 989109254 /nfs/dbraw/zinc/10/92/54/989109254.db2.gz HNHQUEBJJIFHNZ-OALUTQOASA-N 1 0 407.514 3.888 20 30 HHEDRO COC(=O)[C@H](C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000464871803 989131519 /nfs/dbraw/zinc/13/15/19/989131519.db2.gz DPSQLUROBWHSTG-AUSIDOKSSA-N 1 0 407.514 3.690 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000471595726 989798787 /nfs/dbraw/zinc/79/87/87/989798787.db2.gz JHDYGYCVFCUXBG-UHFFFAOYSA-N 1 0 407.562 3.511 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000465554917 989918443 /nfs/dbraw/zinc/91/84/43/989918443.db2.gz IAHFYTZIRAZLTP-IBGZPJMESA-N 1 0 406.530 3.811 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)C2)n1 ZINC000471864403 990036931 /nfs/dbraw/zinc/03/69/31/990036931.db2.gz RZAMXZISLQWDPT-SIKLNZKXSA-N 1 0 419.573 3.724 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000465664589 990050251 /nfs/dbraw/zinc/05/02/51/990050251.db2.gz OSPHYXMZVZZQCU-NHCUHLMSSA-N 1 0 412.603 3.829 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000471970614 990136005 /nfs/dbraw/zinc/13/60/05/990136005.db2.gz OXHUPVDIUHSQKS-OAHLLOKOSA-N 1 0 401.486 3.585 20 30 HHEDRO C[C@H]1C[C@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000466107801 991285328 /nfs/dbraw/zinc/28/53/28/991285328.db2.gz OKJZAXIWSZHXIQ-SIKLNZKXSA-N 1 0 406.530 3.632 20 30 HHEDRO Cc1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1NC(=O)CC[NH+](C)C ZINC000466251367 991490706 /nfs/dbraw/zinc/49/07/06/991490706.db2.gz PFPTZLWDTSEAAA-UHFFFAOYSA-N 1 0 408.502 3.553 20 30 HHEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1OCC(F)(F)F ZINC000466292236 991541665 /nfs/dbraw/zinc/54/16/65/991541665.db2.gz YJELRXVDFZZXHR-QGZVFWFLSA-N 1 0 410.440 3.885 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCN(c4cccs4)CC3)sc2C1 ZINC000466464054 991755021 /nfs/dbraw/zinc/75/50/21/991755021.db2.gz JMNMGSJYHJAZKZ-OAHLLOKOSA-N 1 0 414.600 3.957 20 30 HHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466657548 991971993 /nfs/dbraw/zinc/97/19/93/991971993.db2.gz ZENXNILJVOSJOE-UHFFFAOYSA-N 1 0 402.901 3.980 20 30 HHEDRO CSc1ccc(F)cc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466824216 992131856 /nfs/dbraw/zinc/13/18/56/992131856.db2.gz RKZNFRTXWQJWFN-UHFFFAOYSA-N 1 0 412.534 3.837 20 30 HHEDRO CC(C)C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000467165529 992483521 /nfs/dbraw/zinc/48/35/21/992483521.db2.gz MTYAXHKHRMMHPS-MOPGFXCFSA-N 1 0 412.578 3.724 20 30 HHEDRO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000467273483 992594876 /nfs/dbraw/zinc/59/48/76/992594876.db2.gz RISNKUDKUWJPHN-IBGZPJMESA-N 1 0 412.534 3.695 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000467756108 993000812 /nfs/dbraw/zinc/00/08/12/993000812.db2.gz CSACTPMSNBANPB-QAPCUYQASA-N 1 0 406.555 3.945 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000472355326 993355282 /nfs/dbraw/zinc/35/52/82/993355282.db2.gz WZXWJDVIULMSMO-UBFVSLLYSA-N 1 0 412.537 3.754 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2ccccc2)CC1 ZINC000472373547 993370923 /nfs/dbraw/zinc/37/09/23/993370923.db2.gz KCGCXWDMNZSWTC-UHFFFAOYSA-N 1 0 419.573 3.548 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000472445611 993448436 /nfs/dbraw/zinc/44/84/36/993448436.db2.gz XHOUHEKZSWDSJX-UHFFFAOYSA-N 1 0 415.497 3.950 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472459638 993461610 /nfs/dbraw/zinc/46/16/10/993461610.db2.gz OIYPONPNOSPWBY-IEBWSBKVSA-N 1 0 400.592 3.683 20 30 HHEDRO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000481177500 994007582 /nfs/dbraw/zinc/00/75/82/994007582.db2.gz QLCKIHAHYUGWTQ-UTKZUKDTSA-N 1 0 412.578 3.914 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000481182115 994012632 /nfs/dbraw/zinc/01/26/32/994012632.db2.gz OXIPMWNHVFFACA-GPECBGNPSA-N 1 0 410.606 3.806 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1)c1ccccc1 ZINC000481205612 994038796 /nfs/dbraw/zinc/03/87/96/994038796.db2.gz WKCRAXIIKGQNQB-NRFANRHFSA-N 1 0 420.488 3.760 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473436659 994286520 /nfs/dbraw/zinc/28/65/20/994286520.db2.gz WFOVXMJAXNEAPV-SFHVURJKSA-N 1 0 416.562 3.860 20 30 HHEDRO C=C(C)[C@H]([NH2+]CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000481626805 994491714 /nfs/dbraw/zinc/49/17/14/994491714.db2.gz XTSGVEITAXLTKM-NRFANRHFSA-N 1 0 422.497 3.994 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481759332 994612338 /nfs/dbraw/zinc/61/23/38/994612338.db2.gz GFBQXSJYCYPMPE-LEWJYISDSA-N 1 0 412.534 3.740 20 30 HHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCSC1 ZINC000481791432 994639343 /nfs/dbraw/zinc/63/93/43/994639343.db2.gz BXLDQQDDWGWSGC-QHCPKHFHSA-N 1 0 424.570 3.890 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000481926245 994799066 /nfs/dbraw/zinc/79/90/66/994799066.db2.gz XDBBYSHVNVHTIX-DEOSSOPVSA-N 1 0 405.542 3.827 20 30 HHEDRO C=CCNc1ncc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)s1 ZINC000473912517 994877282 /nfs/dbraw/zinc/87/72/82/994877282.db2.gz OGNGCLBTRDUQPD-OAHLLOKOSA-N 1 0 417.554 3.513 20 30 HHEDRO CCCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000473959049 994937692 /nfs/dbraw/zinc/93/76/92/994937692.db2.gz ILUAFABTYDBMDJ-UHFFFAOYSA-N 1 0 408.546 3.929 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000474156273 995140237 /nfs/dbraw/zinc/14/02/37/995140237.db2.gz DULDPBMZGGLIKC-DHIUTWEWSA-N 1 0 401.510 3.693 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000474221840 995216175 /nfs/dbraw/zinc/21/61/75/995216175.db2.gz AASABJOGOQEOHP-HSZRJFAPSA-N 1 0 420.557 3.538 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000482616571 995612811 /nfs/dbraw/zinc/61/28/11/995612811.db2.gz VCKWOAIXOCNAKV-VWNXMTODSA-N 1 0 418.541 3.633 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2cnc3ccc(C#N)cn23)c1 ZINC000482675872 995668580 /nfs/dbraw/zinc/66/85/80/995668580.db2.gz DWZUOVVSAOMKFZ-MRXNPFEDSA-N 1 0 420.492 3.770 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)ccc1OC ZINC000482736698 995715510 /nfs/dbraw/zinc/71/55/10/995715510.db2.gz XLZDXJWVZQAFDQ-XXBNENTESA-N 1 0 416.468 3.990 20 30 HHEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000474868289 995764353 /nfs/dbraw/zinc/76/43/53/995764353.db2.gz KBDDLTWBPKFFEW-QFIPXVFZSA-N 1 0 404.558 3.528 20 30 HHEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)cc1OC ZINC000482826368 995774973 /nfs/dbraw/zinc/77/49/73/995774973.db2.gz KSZMLALNGXMBRS-URXFXBBRSA-N 1 0 422.525 3.976 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000483016307 995921066 /nfs/dbraw/zinc/92/10/66/995921066.db2.gz PQZOAJOLFAXPBP-OFVILXPXSA-N 1 0 416.569 3.576 20 30 HHEDRO C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCN1C1CC[NH+](C)CC1 ZINC000483024249 995926174 /nfs/dbraw/zinc/92/61/74/995926174.db2.gz PKBHJMLQMIJIJX-IBGZPJMESA-N 1 0 418.541 3.591 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](CC(N)=O)c1ccccc1 ZINC000483105119 995977108 /nfs/dbraw/zinc/97/71/08/995977108.db2.gz XVOKAFGGSBXTAT-IBGZPJMESA-N 1 0 424.570 3.766 20 30 HHEDRO CC1(C(=O)N2CCN(c3ccccc3C#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000483123240 995989678 /nfs/dbraw/zinc/98/96/78/995989678.db2.gz UIOOAFRDTHIGOW-UHFFFAOYSA-N 1 0 402.542 3.509 20 30 HHEDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000475224899 996007992 /nfs/dbraw/zinc/00/79/92/996007992.db2.gz RKBGWIWETIZEHX-UHFFFAOYSA-N 1 0 414.556 3.609 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000483178590 996020488 /nfs/dbraw/zinc/02/04/88/996020488.db2.gz MSBCXIWFWHEOGE-OIBXWCBGSA-N 1 0 405.542 3.762 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000483406824 996157349 /nfs/dbraw/zinc/15/73/49/996157349.db2.gz MOAKVCAXBOYFBD-WMZOPIPTSA-N 1 0 414.493 3.922 20 30 HHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000475464385 996158398 /nfs/dbraw/zinc/15/83/98/996158398.db2.gz OWXKEAPBWGMIAZ-FQEVSTJZSA-N 1 0 420.513 3.622 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000475545218 996212328 /nfs/dbraw/zinc/21/23/28/996212328.db2.gz AOSVYWPASRHVCX-UHFFFAOYSA-N 1 0 400.567 3.638 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNS(=O)(=O)CC3(C#N)CCCCC3)cc2)C1 ZINC000475562208 996220062 /nfs/dbraw/zinc/22/00/62/996220062.db2.gz MYLWZDLQIMFMLT-LJQANCHMSA-N 1 0 403.592 3.812 20 30 HHEDRO N#CC1(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCCCC1 ZINC000475588497 996233664 /nfs/dbraw/zinc/23/36/64/996233664.db2.gz IAGJLERECNIAOK-UHFFFAOYSA-N 1 0 403.592 3.956 20 30 HHEDRO CC(C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000475723936 996324749 /nfs/dbraw/zinc/32/47/49/996324749.db2.gz HHSOTCZMDFFKAG-UHFFFAOYSA-N 1 0 412.433 3.755 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@]2(CO)CC(C)C)c1C#N ZINC000475724894 996325208 /nfs/dbraw/zinc/32/52/08/996325208.db2.gz MGNIUSXVHZWLPB-HSZRJFAPSA-N 1 0 400.567 3.903 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475752494 996348960 /nfs/dbraw/zinc/34/89/60/996348960.db2.gz ZMYLVNMOXMKUCR-CJFMBICVSA-N 1 0 402.542 3.873 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475784702 996369820 /nfs/dbraw/zinc/36/98/20/996369820.db2.gz DDONWJOHHCHDEP-UHFFFAOYSA-N 1 0 417.962 3.744 20 30 HHEDRO C[N@H+](CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccc(F)cc1 ZINC000483853514 996427875 /nfs/dbraw/zinc/42/78/75/996427875.db2.gz ODWJRLBDBXPYJO-UHFFFAOYSA-N 1 0 423.517 3.998 20 30 HHEDRO CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000475914139 996467781 /nfs/dbraw/zinc/46/77/81/996467781.db2.gz DYRJNFVNQGQVDC-UHFFFAOYSA-N 1 0 404.514 3.566 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476188736 996665998 /nfs/dbraw/zinc/66/59/98/996665998.db2.gz JPBJDQLCWKWDRX-UHFFFAOYSA-N 1 0 406.530 3.891 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000484338558 996712824 /nfs/dbraw/zinc/71/28/24/996712824.db2.gz WHYJBNVLUYYZEQ-PXDATVDWSA-N 1 0 416.569 3.576 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000476264727 996716437 /nfs/dbraw/zinc/71/64/37/996716437.db2.gz SYWYBMADEJEDHG-UHFFFAOYSA-N 1 0 408.546 3.866 20 30 HHEDRO N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000476409607 996870276 /nfs/dbraw/zinc/87/02/76/996870276.db2.gz BUQRPKJLZYLLBP-FCHUYYIVSA-N 1 0 415.603 3.777 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476509650 996998202 /nfs/dbraw/zinc/99/82/02/996998202.db2.gz LOOICHBNXMTCLP-UHFFFAOYSA-N 1 0 418.950 3.534 20 30 HHEDRO CCCc1c(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000484679943 997018270 /nfs/dbraw/zinc/01/82/70/997018270.db2.gz NQSYCDLTXVOVKT-UHFFFAOYSA-N 1 0 408.550 3.940 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC(C)(C)CC[NH+]3CCCCCC3)C2)n1 ZINC000476819941 997378647 /nfs/dbraw/zinc/37/86/47/997378647.db2.gz OFQZBIJEMYSAPG-OAQYLSRUSA-N 1 0 411.594 3.639 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1csc([C@@H](C)OC)n1 ZINC000476824587 997383591 /nfs/dbraw/zinc/38/35/91/997383591.db2.gz RXSOBHDHOPOMKU-OAHLLOKOSA-N 1 0 407.609 3.949 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nc(-c4cccnc4)nc4c3CCC4)CC2)cc1 ZINC000476841161 997403567 /nfs/dbraw/zinc/40/35/67/997403567.db2.gz GFLWBNBDRWGFPP-UHFFFAOYSA-N 1 0 410.525 3.611 20 30 HHEDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068940 997716755 /nfs/dbraw/zinc/71/67/55/997716755.db2.gz KERBISIYRRYXMW-GMYLUUGSSA-N 1 0 415.584 3.867 20 30 HHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485350156 997771672 /nfs/dbraw/zinc/77/16/72/997771672.db2.gz QHCFKQHTHGZMIW-VXNXHJTFSA-N 1 0 403.526 3.759 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(F)c1)C(C)C ZINC000485443113 997884554 /nfs/dbraw/zinc/88/45/54/997884554.db2.gz ZJKNFPHUPBGMFX-HXUWFJFHSA-N 1 0 402.514 3.773 20 30 HHEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](CCCOc3cccc(C#N)c3)CC2)cs1 ZINC000477274302 997952437 /nfs/dbraw/zinc/95/24/37/997952437.db2.gz YBLLRCUHQVNRGQ-GOSISDBHSA-N 1 0 414.575 3.699 20 30 HHEDRO Cc1ccc(C)c(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000486248430 998674357 /nfs/dbraw/zinc/67/43/57/998674357.db2.gz DQGXUEGIHCCLFP-UHFFFAOYSA-N 1 0 408.571 3.876 20 30 HHEDRO CC(C)[C@H]1CN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@@H+]1C ZINC000486250220 998675662 /nfs/dbraw/zinc/67/56/62/998675662.db2.gz AZMZMXYHZKYDIN-OAQYLSRUSA-N 1 0 405.502 3.614 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000478058186 998741198 /nfs/dbraw/zinc/74/11/98/998741198.db2.gz KSQVPXLSDRVYTO-YLJYHZDGSA-N 1 0 400.592 3.702 20 30 HHEDRO C=CCOc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486440810 998769799 /nfs/dbraw/zinc/76/97/99/998769799.db2.gz WOOIYBCZCXLINR-WZONZLPQSA-N 1 0 403.486 3.645 20 30 HHEDRO Cc1nc(CN2CCC(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)oc1C ZINC000478279585 998861271 /nfs/dbraw/zinc/86/12/71/998861271.db2.gz VOZMEBGKBLTUFL-UHFFFAOYSA-N 1 0 418.545 3.565 20 30 HHEDRO Cn1cc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478284110 998864531 /nfs/dbraw/zinc/86/45/31/998864531.db2.gz WOMKVZXBVNUMMQ-UHFFFAOYSA-N 1 0 415.541 3.775 20 30 HHEDRO COCCCOc1cc(C)ccc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478324777 998889163 /nfs/dbraw/zinc/88/91/63/998889163.db2.gz DXDZWSZXRQSOQJ-UHFFFAOYSA-N 1 0 404.514 3.972 20 30 HHEDRO Clc1cccc(C#CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c1 ZINC000486846812 998970592 /nfs/dbraw/zinc/97/05/92/998970592.db2.gz ZLSRDEFJSRVZMT-VGOFRKELSA-N 1 0 405.889 3.585 20 30 HHEDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000478492082 998991781 /nfs/dbraw/zinc/99/17/81/998991781.db2.gz PNTQGUZKMQWWAW-UHFFFAOYSA-N 1 0 414.465 3.717 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487086725 999058639 /nfs/dbraw/zinc/05/86/39/999058639.db2.gz LMCYMDZLHGYFNC-ZJSXRUAMSA-N 1 0 405.542 3.642 20 30 HHEDRO CC(C)([C@@H](NC(=O)CNc1cccc(C#N)c1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000487111677 999065821 /nfs/dbraw/zinc/06/58/21/999065821.db2.gz NUXDCTBEFYSKQY-QFIPXVFZSA-N 1 0 412.484 3.980 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000487112895 999066300 /nfs/dbraw/zinc/06/63/00/999066300.db2.gz LQHPQGFLCYREDW-LJQANCHMSA-N 1 0 419.525 3.870 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1C#N ZINC000487319550 999134341 /nfs/dbraw/zinc/13/43/41/999134341.db2.gz KIVNLQGDGOIENY-UHFFFAOYSA-N 1 0 424.570 3.813 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000487919979 999316100 /nfs/dbraw/zinc/31/61/00/999316100.db2.gz QFTBXBMJQRFPAU-OAHLLOKOSA-N 1 0 402.926 3.956 20 30 HHEDRO N#CC1(NC(=O)Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000479222888 999332076 /nfs/dbraw/zinc/33/20/76/999332076.db2.gz VZYGTNSMLOTTLO-UHFFFAOYSA-N 1 0 401.432 3.922 20 30 HHEDRO N#Cc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Br ZINC000487986958 999338012 /nfs/dbraw/zinc/33/80/12/999338012.db2.gz VWFNDOASUZDRAE-MRXNPFEDSA-N 1 0 403.280 3.872 20 30 HHEDRO C/C=C\c1ccc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000479236607 999338449 /nfs/dbraw/zinc/33/84/49/999338449.db2.gz BHUZFFXSZVKZNY-CLTKARDFSA-N 1 0 419.525 3.782 20 30 HHEDRO CCOc1cccc2c1OCC(C(=O)NC1(C#N)CC[NH+](Cc3ccccc3)CC1)=C2 ZINC000479275477 999359978 /nfs/dbraw/zinc/35/99/78/999359978.db2.gz FVLSIQMENBDEPW-UHFFFAOYSA-N 1 0 417.509 3.536 20 30 HHEDRO CC(=O)c1cccc(OCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479291600 999368455 /nfs/dbraw/zinc/36/84/55/999368455.db2.gz UQHDFAIEMKVDKD-UHFFFAOYSA-N 1 0 419.525 3.723 20 30 HHEDRO N#CC1(NC(=O)Cc2csc(-c3ccoc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479306034 999376198 /nfs/dbraw/zinc/37/61/98/999376198.db2.gz JPDGLEMHWPLFJX-UHFFFAOYSA-N 1 0 406.511 3.620 20 30 HHEDRO N#CC1(NC(=O)Cn2ccc3ccc(Cl)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000479318633 999382585 /nfs/dbraw/zinc/38/25/85/999382585.db2.gz SINNRHMGAAAMSD-UHFFFAOYSA-N 1 0 406.917 3.969 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1Cl ZINC000479576139 999486367 /nfs/dbraw/zinc/48/63/67/999486367.db2.gz FWUIMMUMCOXZFW-UHFFFAOYSA-N 1 0 424.925 3.874 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000488478159 999501071 /nfs/dbraw/zinc/50/10/71/999501071.db2.gz AXDDKMCRRBLOCX-IFXJQAMLSA-N 1 0 403.404 3.909 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2=O)cc1 ZINC000488477804 999501169 /nfs/dbraw/zinc/50/11/69/999501169.db2.gz KDYAYUMZXAQRQY-PMACEKPBSA-N 1 0 410.315 3.699 20 30 HHEDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000488478840 999501534 /nfs/dbraw/zinc/50/15/34/999501534.db2.gz CAAUNDFNAZWDFZ-HJPURHCSSA-N 1 0 417.488 3.643 20 30 HHEDRO C=CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000488687849 999572835 /nfs/dbraw/zinc/57/28/35/999572835.db2.gz GOKWLHIGTIHOPC-LADGPHEKSA-N 1 0 418.585 3.802 20 30 HHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000479888838 999637509 /nfs/dbraw/zinc/63/75/09/999637509.db2.gz MPRPFIRRUPZEAX-KRWDZBQOSA-N 1 0 401.514 3.777 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c(C#N)c(C)c1C ZINC000488896864 999639804 /nfs/dbraw/zinc/63/98/04/999639804.db2.gz GQVGBNLVBCJQDG-LJQANCHMSA-N 1 0 400.523 3.529 20 30 HHEDRO C[C@@H]1C[NH+](CC2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)C[C@@H](C)O1 ZINC000479974412 999670070 /nfs/dbraw/zinc/67/00/70/999670070.db2.gz FGDMJTSMUGKEOM-RTBURBONSA-N 1 0 421.589 3.810 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000489203422 999721681 /nfs/dbraw/zinc/72/16/81/999721681.db2.gz FPVVACNPBXOABC-SFHVURJKSA-N 1 0 417.575 3.833 20 30 HHEDRO N#Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(Cl)c1 ZINC000489379810 999755112 /nfs/dbraw/zinc/75/51/12/999755112.db2.gz NLDJJXAMVNSLEA-UHFFFAOYSA-N 1 0 401.919 3.778 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1scnc1C ZINC000489438743 999767487 /nfs/dbraw/zinc/76/74/87/999767487.db2.gz PPRKRAUAJFBFDW-UHFFFAOYSA-N 1 0 418.588 3.741 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000489539527 999787890 /nfs/dbraw/zinc/78/78/90/999787890.db2.gz YPXDENOOMGMVBW-GCJKJVERSA-N 1 0 406.530 3.635 20 30 HHEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000489677798 999815921 /nfs/dbraw/zinc/81/59/21/999815921.db2.gz LWENRUALMMHKTB-GOSISDBHSA-N 1 0 408.546 3.939 20 30 HHEDRO Cn1nc(-c2ccsc2)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000489700376 999820222 /nfs/dbraw/zinc/82/02/22/999820222.db2.gz CVBKAZNRNUYQMN-UHFFFAOYSA-N 1 0 420.542 3.760 20 30 HHEDRO CCOc1c(Cl)cccc1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000480543334 999822676 /nfs/dbraw/zinc/82/26/76/999822676.db2.gz WHMJALHVUUZQTH-UHFFFAOYSA-N 1 0 411.933 3.956 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489844316 999848312 /nfs/dbraw/zinc/84/83/12/999848312.db2.gz LHGFWYDKPHHPMR-RDPSFJRHSA-N 1 0 420.557 3.627 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H](N3CCC[C@H](C(=O)c4ccc(F)cc4)C3)C2=O)cc1 ZINC000490016668 999878163 /nfs/dbraw/zinc/87/81/63/999878163.db2.gz ZANBDHYCAMYGDD-SIKLNZKXSA-N 1 0 405.473 3.788 20 30 HHEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)cc1 ZINC000490058054 999886869 /nfs/dbraw/zinc/88/68/69/999886869.db2.gz FKUHJIHVWJFUJX-CEMLEFRQSA-N 1 0 422.598 3.643 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000490381535 999948600 /nfs/dbraw/zinc/94/86/00/999948600.db2.gz WESDXVXDUUMUDH-MRXNPFEDSA-N 1 0 424.932 3.841 20 30 HHEDRO Cc1cc(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1-c1cccc(C#N)c1 ZINC000490535042 999974057 /nfs/dbraw/zinc/97/40/57/999974057.db2.gz NVUSARMFPPNRSH-RUZDIDTESA-N 1 0 413.525 3.837 20 30 HHEDRO Cc1cc(F)c2[nH]c(=O)cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000490665603 999991035 /nfs/dbraw/zinc/99/10/35/999991035.db2.gz BCPRRNVLXDRYSN-UHFFFAOYSA-N 1 0 418.472 3.676 20 30 HHEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)nc1 ZINC000491151039 1000050733 /nfs/dbraw/zinc/05/07/33/1000050733.db2.gz WKJOUMCQUWSOQX-FQEVSTJZSA-N 1 0 414.513 3.513 20 30 HHEDRO C=CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000491194540 1000053987 /nfs/dbraw/zinc/05/39/87/1000053987.db2.gz NXJNHFMYMQJPQE-GOSISDBHSA-N 1 0 424.512 3.684 20 30 HHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)[C@@H]2C1 ZINC000492183100 1000114267 /nfs/dbraw/zinc/11/42/67/1000114267.db2.gz XZQWOULPRJSGHW-WIYYLYMNSA-N 1 0 408.477 3.834 20 30 HHEDRO Cn1cc([C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c2cccc(F)c2)cn1 ZINC000492249238 1000117807 /nfs/dbraw/zinc/11/78/07/1000117807.db2.gz CVUGOYOCYAPSBO-OFNKIYASSA-N 1 0 407.468 3.918 20 30 HHEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000493636147 1000182465 /nfs/dbraw/zinc/18/24/65/1000182465.db2.gz QEYPIQAHZWKQBU-INIZCTEOSA-N 1 0 415.419 3.878 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000493918956 1000214257 /nfs/dbraw/zinc/21/42/57/1000214257.db2.gz BDJNAPKSCLGRCY-KKSFZXQISA-N 1 0 414.912 3.840 20 30 HHEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000494071989 1000294719 /nfs/dbraw/zinc/29/47/19/1000294719.db2.gz JJLSFIJEPIJOLE-ZIAGYGMSSA-N 1 0 407.440 3.775 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000504947048 1000465648 /nfs/dbraw/zinc/46/56/48/1000465648.db2.gz CZLSYZYTFXJYOE-UHFFFAOYSA-N 1 0 406.836 3.980 20 30 HHEDRO C=CCCc1ccccc1NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000505005852 1000501650 /nfs/dbraw/zinc/50/16/50/1000501650.db2.gz OGSPCQKBSYRZAB-UHFFFAOYSA-N 1 0 414.594 3.753 20 30 HHEDRO CC[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000494459720 1000502944 /nfs/dbraw/zinc/50/29/44/1000502944.db2.gz YJQGSEOQFJYISH-UHFFFAOYSA-N 1 0 403.935 3.891 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Br)cs1 ZINC000505146303 1000576601 /nfs/dbraw/zinc/57/66/01/1000576601.db2.gz RSJRSIGDRYZCSA-UHFFFAOYSA-N 1 0 421.364 3.656 20 30 HHEDRO CC(C)C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)C ZINC000494780485 1000651611 /nfs/dbraw/zinc/65/16/11/1000651611.db2.gz QAYGIMYREXHFQV-GOSISDBHSA-N 1 0 400.567 3.722 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@H]3CCC[C@H]31)CCCC2 ZINC000494900624 1000720314 /nfs/dbraw/zinc/72/03/14/1000720314.db2.gz AYQRBEYJSPQVTG-LVCYWYKZSA-N 1 0 410.562 3.621 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@@H]3CCC[C@H]31)CCCC2 ZINC000494900622 1000720563 /nfs/dbraw/zinc/72/05/63/1000720563.db2.gz AYQRBEYJSPQVTG-BBTUJRGHSA-N 1 0 410.562 3.621 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000495162162 1000895379 /nfs/dbraw/zinc/89/53/79/1000895379.db2.gz PPJRTHQNTGKBMX-UHFFFAOYSA-N 1 0 421.541 3.850 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000505766354 1001012917 /nfs/dbraw/zinc/01/29/17/1001012917.db2.gz OKFYEXKLXPHULO-SFHVURJKSA-N 1 0 420.513 3.779 20 30 HHEDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000495450491 1001016774 /nfs/dbraw/zinc/01/67/74/1001016774.db2.gz QMALMSXCCNTFDP-ROUUACIJSA-N 1 0 403.592 3.946 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000495461710 1001020966 /nfs/dbraw/zinc/02/09/66/1001020966.db2.gz XSGINHNSZRUIPR-LJQANCHMSA-N 1 0 421.676 3.993 20 30 HHEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000495490866 1001032962 /nfs/dbraw/zinc/03/29/62/1001032962.db2.gz OCNLJESCVPJQGK-OAQYLSRUSA-N 1 0 405.477 3.678 20 30 HHEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000506174804 1001260516 /nfs/dbraw/zinc/26/05/16/1001260516.db2.gz FXHFMUTXXLNZSU-LJQANCHMSA-N 1 0 421.541 3.738 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000497635412 1001467287 /nfs/dbraw/zinc/46/72/87/1001467287.db2.gz AHFQRZSLRKBHJV-UHFFFAOYSA-N 1 0 421.541 3.882 20 30 HHEDRO CCCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(C#N)cc1 ZINC000506939954 1001605965 /nfs/dbraw/zinc/60/59/65/1001605965.db2.gz PRLHIMARIPHQKZ-UHFFFAOYSA-N 1 0 422.598 3.958 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000498162490 1001670101 /nfs/dbraw/zinc/67/01/01/1001670101.db2.gz MBJVRBSYRVRPHU-BGYRXZFFSA-N 1 0 411.546 3.829 20 30 HHEDRO N#CC1(NC(=O)c2cnc3c(F)ccc(F)c3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000498221484 1001704544 /nfs/dbraw/zinc/70/45/44/1001704544.db2.gz IGVWMFRYHADMMR-UHFFFAOYSA-N 1 0 406.436 3.801 20 30 HHEDRO C=CCc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc(OC)c1O ZINC000498368879 1001800436 /nfs/dbraw/zinc/80/04/36/1001800436.db2.gz FRRYUSBDQKDESG-FCHUYYIVSA-N 1 0 416.949 3.944 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2cscn2)c1 ZINC000498380812 1001810942 /nfs/dbraw/zinc/81/09/42/1001810942.db2.gz OSIZJJMEMDSMBE-UHFFFAOYSA-N 1 0 420.538 3.798 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)C(C)C ZINC000507111517 1001816299 /nfs/dbraw/zinc/81/62/99/1001816299.db2.gz KFKLXJDMLACJJG-IFMALSPDSA-N 1 0 413.610 3.807 20 30 HHEDRO Cc1nc(SCC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c(C#N)c(C)c1C ZINC000498452356 1001880238 /nfs/dbraw/zinc/88/02/38/1001880238.db2.gz JXMBMAIGSCIAQF-UHFFFAOYSA-N 1 0 412.559 3.687 20 30 HHEDRO CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)[NH+]1CCN(C)CC1 ZINC000498456267 1001884324 /nfs/dbraw/zinc/88/43/24/1001884324.db2.gz BUDLWGASHNIQBO-XMMPIXPASA-N 1 0 420.557 3.547 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000507241100 1001926989 /nfs/dbraw/zinc/92/69/89/1001926989.db2.gz XATMSMDPPJMWFO-VQTJNVASSA-N 1 0 413.562 3.693 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507329537 1002004714 /nfs/dbraw/zinc/00/47/14/1002004714.db2.gz LZKDZMRWCOXBAA-OALUTQOASA-N 1 0 412.578 3.868 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000507329536 1002004942 /nfs/dbraw/zinc/00/49/42/1002004942.db2.gz LZKDZMRWCOXBAA-KDURUIRLSA-N 1 0 412.578 3.868 20 30 HHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)nc1 ZINC000507721917 1002310092 /nfs/dbraw/zinc/31/00/92/1002310092.db2.gz BWSZBHOVXZIFRG-IQWMQGJTSA-N 1 0 407.514 3.991 20 30 HHEDRO C=CCOc1c(Br)cc(CNc2nc(N(C)C)cc(C)[nH+]2)cc1OC ZINC000507762636 1002330697 /nfs/dbraw/zinc/33/06/97/1002330697.db2.gz UKEKZVHVKSRXEQ-UHFFFAOYSA-N 1 0 407.312 3.799 20 30 HHEDRO COc1ccc(C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000499047525 1002428431 /nfs/dbraw/zinc/42/84/31/1002428431.db2.gz HIAQZQWFJUOXPF-UPVQGACJSA-N 1 0 409.530 3.632 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000499055897 1002438251 /nfs/dbraw/zinc/43/82/51/1002438251.db2.gz YNHSISZKUHCYQQ-UHFFFAOYSA-N 1 0 408.502 3.968 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCCNC(=O)c2cccc(Br)c2)cc1 ZINC000507929558 1002463285 /nfs/dbraw/zinc/46/32/85/1002463285.db2.gz IPJAKNBGYDODPE-UHFFFAOYSA-N 1 0 403.320 3.924 20 30 HHEDRO C=CCN(CC=C)C(=O)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507945296 1002478647 /nfs/dbraw/zinc/47/86/47/1002478647.db2.gz LBYBOIYTAMPXRZ-UHFFFAOYSA-N 1 0 409.496 3.802 20 30 HHEDRO Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508458425 1002943677 /nfs/dbraw/zinc/94/36/77/1002943677.db2.gz VKJSJVQVGRIXQA-GOTSBHOMSA-N 1 0 412.541 3.845 20 30 HHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508472676 1002956915 /nfs/dbraw/zinc/95/69/15/1002956915.db2.gz LDGYOEMSTSDUMX-UHFFFAOYSA-N 1 0 417.557 3.716 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508491093 1002973799 /nfs/dbraw/zinc/97/37/99/1002973799.db2.gz FLPWGCWGVYCCQK-MBSDFSHPSA-N 1 0 416.573 3.989 20 30 HHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508491343 1002974624 /nfs/dbraw/zinc/97/46/24/1002974624.db2.gz SKWKEWDRAGHLTN-UHFFFAOYSA-N 1 0 401.599 3.526 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508492412 1002975296 /nfs/dbraw/zinc/97/52/96/1002975296.db2.gz JMJAQFHRLOVIRP-SFHVURJKSA-N 1 0 406.534 3.954 20 30 HHEDRO C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508493197 1002975715 /nfs/dbraw/zinc/97/57/15/1002975715.db2.gz LBBJQJAMJSPESR-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC(C#N)(COC)CC2)c1 ZINC000499709961 1003059305 /nfs/dbraw/zinc/05/93/05/1003059305.db2.gz INIIJQBMOGNXPY-UHFFFAOYSA-N 1 0 400.567 3.770 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000508669775 1003109370 /nfs/dbraw/zinc/10/93/70/1003109370.db2.gz JPEDKVKDJJHSDN-RNWQKYJXSA-N 1 0 410.562 3.681 20 30 HHEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508739867 1003177731 /nfs/dbraw/zinc/17/77/31/1003177731.db2.gz MIPFNOZKZCLDQE-NRFANRHFSA-N 1 0 409.578 3.972 20 30 HHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508815231 1003240055 /nfs/dbraw/zinc/24/00/55/1003240055.db2.gz YPPVHTPYHFJYFJ-IAGOWNOFSA-N 1 0 415.607 3.827 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000508815964 1003240657 /nfs/dbraw/zinc/24/06/57/1003240657.db2.gz FXLDSEYRFWNWHM-UHFFFAOYSA-N 1 0 408.594 3.787 20 30 HHEDRO C=CC[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000508855402 1003275716 /nfs/dbraw/zinc/27/57/16/1003275716.db2.gz JGZTZNOCNUVPRC-CYFREDJKSA-N 1 0 419.529 3.969 20 30 HHEDRO C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508862598 1003282854 /nfs/dbraw/zinc/28/28/54/1003282854.db2.gz FNDUCFBHOQQBLW-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508876813 1003297487 /nfs/dbraw/zinc/29/74/87/1003297487.db2.gz YWCQAYYWKSJPTM-MRXNPFEDSA-N 1 0 405.493 3.901 20 30 HHEDRO C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508879957 1003301202 /nfs/dbraw/zinc/30/12/02/1003301202.db2.gz JFJFIDDITULVPT-UHFFFAOYSA-N 1 0 419.529 3.978 20 30 HHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508896865 1003327555 /nfs/dbraw/zinc/32/75/55/1003327555.db2.gz VAMZOAKYTJXIQP-KDURUIRLSA-N 1 0 413.566 3.748 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508901513 1003337009 /nfs/dbraw/zinc/33/70/09/1003337009.db2.gz UUXVSPBSUOQVPS-GAJHUEQPSA-N 1 0 424.520 3.942 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000508908841 1003349168 /nfs/dbraw/zinc/34/91/68/1003349168.db2.gz WDOVGKCYYXMUKT-KNQAVFIVSA-N 1 0 409.578 3.696 20 30 HHEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000508959681 1003420023 /nfs/dbraw/zinc/42/00/23/1003420023.db2.gz GWLKXOXOOYCCMI-IBGZPJMESA-N 1 0 409.578 3.587 20 30 HHEDRO CC[N@H+](CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1)CC(C)C ZINC000508976022 1003447662 /nfs/dbraw/zinc/44/76/62/1003447662.db2.gz DUODCBZHEYRFDZ-UHFFFAOYSA-N 1 0 424.593 3.850 20 30 HHEDRO C=CCC[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000500095812 1003457719 /nfs/dbraw/zinc/45/77/19/1003457719.db2.gz FEAHUVAQXNZVDT-BXWFABGCSA-N 1 0 413.484 3.809 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508997305 1003468692 /nfs/dbraw/zinc/46/86/92/1003468692.db2.gz JIYSXVPMKYSHCF-UHFFFAOYSA-N 1 0 415.969 3.723 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000509014695 1003486607 /nfs/dbraw/zinc/48/66/07/1003486607.db2.gz YBQSNTFGWNBZSN-BVSLBCMMSA-N 1 0 409.578 3.877 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500350006 1003648670 /nfs/dbraw/zinc/64/86/70/1003648670.db2.gz BBYPWFAMOPQMOT-KRWDZBQOSA-N 1 0 416.591 3.600 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000509355330 1003785213 /nfs/dbraw/zinc/78/52/13/1003785213.db2.gz CBFGICMYHYGHSV-QFIPXVFZSA-N 1 0 410.493 3.553 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc1OCC ZINC000509420702 1003848718 /nfs/dbraw/zinc/84/87/18/1003848718.db2.gz ZQJGHXGQVDEDOZ-DLBZAZTESA-N 1 0 423.351 3.656 20 30 HHEDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)C1 ZINC000509537588 1003930899 /nfs/dbraw/zinc/93/08/99/1003930899.db2.gz CWXWPWYGMXWOTR-FQEVSTJZSA-N 1 0 419.573 3.934 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccco1 ZINC000509567325 1003949007 /nfs/dbraw/zinc/94/90/07/1003949007.db2.gz IZFZZZNQXPLMGS-LAUBAEHRSA-N 1 0 410.518 3.833 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)C2)n1 ZINC000500876301 1004021907 /nfs/dbraw/zinc/02/19/07/1004021907.db2.gz PCWCARXXSKRHKB-HSZRJFAPSA-N 1 0 423.605 3.593 20 30 HHEDRO N#Cc1ccc(F)c(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000500951057 1004072317 /nfs/dbraw/zinc/07/23/17/1004072317.db2.gz CWTLXBMXAVLOGU-UHFFFAOYSA-N 1 0 415.534 3.693 20 30 HHEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000500969103 1004084803 /nfs/dbraw/zinc/08/48/03/1004084803.db2.gz ISTHUTVCUCEOGH-INIZCTEOSA-N 1 0 416.576 3.506 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(C)C ZINC000509798484 1004105314 /nfs/dbraw/zinc/10/53/14/1004105314.db2.gz JXIYRRUPKRAWMA-HSZRJFAPSA-N 1 0 410.562 3.810 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512231363 1004131636 /nfs/dbraw/zinc/13/16/36/1004131636.db2.gz YJVJXTGNWRXGEL-UWJYYQICSA-N 1 0 411.594 3.979 20 30 HHEDRO Cc1cc(C)n(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000509888735 1004182374 /nfs/dbraw/zinc/18/23/74/1004182374.db2.gz VPJVONSWGBIYJQ-UHFFFAOYSA-N 1 0 416.529 3.957 20 30 HHEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)nc1 ZINC000512308128 1004206608 /nfs/dbraw/zinc/20/66/08/1004206608.db2.gz DLAKDBLCKAQPME-VNXZQDSDSA-N 1 0 418.541 3.814 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000509954792 1004230494 /nfs/dbraw/zinc/23/04/94/1004230494.db2.gz FMQOWJLFWAPXHO-UHFFFAOYSA-N 1 0 418.497 3.881 20 30 HHEDRO N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000509966936 1004236951 /nfs/dbraw/zinc/23/69/51/1004236951.db2.gz HQZAYKDWNDFCAL-DDRJZQQSSA-N 1 0 418.541 3.672 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000512374855 1004255899 /nfs/dbraw/zinc/25/58/99/1004255899.db2.gz YRTQOCMWYKDQAL-DEOSSOPVSA-N 1 0 421.541 3.704 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1OCCCC#N ZINC000510022871 1004271566 /nfs/dbraw/zinc/27/15/66/1004271566.db2.gz HVMSIVQUKTUIBL-FQEVSTJZSA-N 1 0 408.502 3.774 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510099399 1004323043 /nfs/dbraw/zinc/32/30/43/1004323043.db2.gz OLTYBZMKNKGTEW-UWJYYQICSA-N 1 0 420.557 3.625 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C1CC1 ZINC000501309913 1004344233 /nfs/dbraw/zinc/34/42/33/1004344233.db2.gz SEQYZNBMWUWEBE-SFHVURJKSA-N 1 0 402.420 3.612 20 30 HHEDRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)cc1F ZINC000512659583 1004470218 /nfs/dbraw/zinc/47/02/18/1004470218.db2.gz IGRCTCVMIPSEAP-HNNXBMFYSA-N 1 0 421.563 3.827 20 30 HHEDRO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512807090 1004571082 /nfs/dbraw/zinc/57/10/82/1004571082.db2.gz DAECZZHHIBOHSG-FQEVSTJZSA-N 1 0 416.447 3.993 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000512862534 1004624934 /nfs/dbraw/zinc/62/49/34/1004624934.db2.gz UUHHZWQFOVBITN-HSZRJFAPSA-N 1 0 418.541 3.907 20 30 HHEDRO N#Cc1ncn(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)n1 ZINC000512903884 1004671894 /nfs/dbraw/zinc/67/18/94/1004671894.db2.gz IWRDFHQDRMNPFM-UHFFFAOYSA-N 1 0 423.480 3.598 20 30 HHEDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000510550937 1004686921 /nfs/dbraw/zinc/68/69/21/1004686921.db2.gz TZBJXBKBFKTPRP-MBSDFSHPSA-N 1 0 401.514 3.782 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513097254 1004803760 /nfs/dbraw/zinc/80/37/60/1004803760.db2.gz SAESAKYQQYUDDJ-CVEARBPZSA-N 1 0 410.497 3.658 20 30 HHEDRO Cc1oc(NC(=O)C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c(C#N)c1C ZINC000513206784 1004860843 /nfs/dbraw/zinc/86/08/43/1004860843.db2.gz ZKOBKTHXOUSQCL-HXUWFJFHSA-N 1 0 421.419 3.717 20 30 HHEDRO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502189846 1004948017 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421.541 3.502 20 30 HHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502386859 1005050860 /nfs/dbraw/zinc/05/08/60/1005050860.db2.gz QTYWXDRZDXPVRQ-IBGZPJMESA-N 1 0 407.518 3.668 20 30 HHEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CC[NH+](C4CCC4)CC3)cc2F)c1 ZINC000502465118 1005084011 /nfs/dbraw/zinc/08/40/11/1005084011.db2.gz CAHXWDWMYMDRJQ-UHFFFAOYSA-N 1 0 408.477 3.978 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511250868 1005091690 /nfs/dbraw/zinc/09/16/90/1005091690.db2.gz HHKOVDVZSZLQON-ICSRJNTNSA-N 1 0 410.562 3.764 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c(C)c1C ZINC000511252052 1005092321 /nfs/dbraw/zinc/09/23/21/1005092321.db2.gz KKZUIEYVJUXXAN-MSOLQXFVSA-N 1 0 400.592 3.740 20 30 HHEDRO COc1ccc(CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000513757403 1005112356 /nfs/dbraw/zinc/11/23/56/1005112356.db2.gz NAUUKMIKPUXMOW-UHFFFAOYSA-N 1 0 421.541 3.633 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000513790530 1005128875 /nfs/dbraw/zinc/12/88/75/1005128875.db2.gz ZFWDJVSUJLZSFY-RTBURBONSA-N 1 0 400.906 3.742 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000513790529 1005128900 /nfs/dbraw/zinc/12/89/00/1005128900.db2.gz ZFWDJVSUJLZSFY-RBUKOAKNSA-N 1 0 400.906 3.742 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc1 ZINC000511383066 1005149683 /nfs/dbraw/zinc/14/96/83/1005149683.db2.gz MHYQKQDBUUATIX-QFIPXVFZSA-N 1 0 422.529 3.570 20 30 HHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000502682920 1005178586 /nfs/dbraw/zinc/17/85/86/1005178586.db2.gz WDDWLFCXCPBKRQ-UHFFFAOYSA-N 1 0 413.566 3.551 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000511576004 1005231131 /nfs/dbraw/zinc/23/11/31/1005231131.db2.gz AOGKQZCZWSHOKG-UHFFFAOYSA-N 1 0 406.530 3.584 20 30 HHEDRO C[NH+]1CCC(Oc2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)cn2)CC1 ZINC000514070647 1005253004 /nfs/dbraw/zinc/25/30/04/1005253004.db2.gz ZDZULZVTHCLIJV-UHFFFAOYSA-N 1 0 416.529 3.944 20 30 HHEDRO COc1ccccc1[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCCC1 ZINC000514085428 1005259066 /nfs/dbraw/zinc/25/90/66/1005259066.db2.gz VWXAHHDIQGGBEB-XMMPIXPASA-N 1 0 404.558 3.962 20 30 HHEDRO N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000511730103 1005296293 /nfs/dbraw/zinc/29/62/93/1005296293.db2.gz PEOWKZNLDPSXBH-UHFFFAOYSA-N 1 0 414.469 3.927 20 30 HHEDRO Cc1ccc(OCCCCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000502974654 1005299048 /nfs/dbraw/zinc/29/90/48/1005299048.db2.gz XSICPYVQDWVOOI-UHFFFAOYSA-N 1 0 420.557 3.943 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000511746694 1005305060 /nfs/dbraw/zinc/30/50/60/1005305060.db2.gz UMIZVGWTEVSCFZ-GOSISDBHSA-N 1 0 403.461 3.734 20 30 HHEDRO COc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514243387 1005330229 /nfs/dbraw/zinc/33/02/29/1005330229.db2.gz RYTYUPCGJKVQIJ-GOSISDBHSA-N 1 0 414.303 3.615 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000503056785 1005330770 /nfs/dbraw/zinc/33/07/70/1005330770.db2.gz GOOAMGSOOIVJRR-UHFFFAOYSA-N 1 0 423.467 3.535 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@H]31)CCC2 ZINC000511796090 1005332571 /nfs/dbraw/zinc/33/25/71/1005332571.db2.gz KREHOLGIRXKLFS-QHAWAJNXSA-N 1 0 421.566 3.942 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000514249611 1005333016 /nfs/dbraw/zinc/33/30/16/1005333016.db2.gz IERVTXYJPPVSRZ-UHFFFAOYSA-N 1 0 406.368 3.989 20 30 HHEDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000503208271 1005368790 /nfs/dbraw/zinc/36/87/90/1005368790.db2.gz UGECUASCGMJJMC-MZNJEOGPSA-N 1 0 408.498 3.777 20 30 HHEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000503280106 1005382872 /nfs/dbraw/zinc/38/28/72/1005382872.db2.gz IPWUIRQIYHNBMQ-FQEVSTJZSA-N 1 0 420.513 3.670 20 30 HHEDRO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503339330 1005393529 /nfs/dbraw/zinc/39/35/29/1005393529.db2.gz PVIMYEZYTTXJBS-JOCHJYFZSA-N 1 0 413.525 3.647 20 30 HHEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000503700747 1005482953 /nfs/dbraw/zinc/48/29/53/1005482953.db2.gz GAXPZEAUIHGMSP-SFHVURJKSA-N 1 0 423.536 3.658 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503765860 1005490935 /nfs/dbraw/zinc/49/09/35/1005490935.db2.gz QXNGPRWCTIPNCQ-JOCHJYFZSA-N 1 0 422.529 3.857 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503766125 1005490953 /nfs/dbraw/zinc/49/09/53/1005490953.db2.gz QXAFJZWSUSIEJN-HZPDHXFCSA-N 1 0 417.962 3.647 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)c1 ZINC000504353692 1005605022 /nfs/dbraw/zinc/60/50/22/1005605022.db2.gz XWYFLPAEUKPZEP-PKTZIBPZSA-N 1 0 417.509 3.621 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000504353693 1005605082 /nfs/dbraw/zinc/60/50/82/1005605082.db2.gz XWYFLPAEUKPZEP-XZOQPEGZSA-N 1 0 417.509 3.621 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)Nc3cc(C#N)ccc3OC(F)F)CCCC2)CC1 ZINC000514397513 1005974545 /nfs/dbraw/zinc/97/45/45/1005974545.db2.gz MQNDAQFMNIWFAK-UHFFFAOYSA-N 1 0 422.476 3.705 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Oc3ccncc3)c(Cl)c2)c1C#N ZINC000534055926 1006026249 /nfs/dbraw/zinc/02/62/49/1006026249.db2.gz FTCBYUNRTOYHMF-UHFFFAOYSA-N 1 0 410.865 3.526 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)c1C#N ZINC000534056086 1006027127 /nfs/dbraw/zinc/02/71/27/1006027127.db2.gz JEJSAGXYSYQZQF-UHFFFAOYSA-N 1 0 416.510 3.709 20 30 HHEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000514846751 1006169671 /nfs/dbraw/zinc/16/96/71/1006169671.db2.gz LZYGTIIYVJQLLW-KRWDZBQOSA-N 1 0 422.476 3.792 20 30 HHEDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC000515021094 1006254646 /nfs/dbraw/zinc/25/46/46/1006254646.db2.gz WTVFMSGNFVWXBB-UHFFFAOYSA-N 1 0 403.523 3.684 20 30 HHEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000534352471 1006314008 /nfs/dbraw/zinc/31/40/08/1006314008.db2.gz MKMHMRGPIMRWJY-MRXNPFEDSA-N 1 0 402.901 3.980 20 30 HHEDRO CCC[N@H+](CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000515410899 1006449278 /nfs/dbraw/zinc/44/92/78/1006449278.db2.gz IXPGBHMVKJQCBE-NRFANRHFSA-N 1 0 404.558 3.676 20 30 HHEDRO C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000515712836 1006610168 /nfs/dbraw/zinc/61/01/68/1006610168.db2.gz STTKIPBAHIFCFS-UHFFFAOYSA-N 1 0 413.566 3.851 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000515757410 1006646500 /nfs/dbraw/zinc/64/65/00/1006646500.db2.gz FTJXDLJHFHOFQO-KDURUIRLSA-N 1 0 411.571 3.656 20 30 HHEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538390795 1006660670 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403.486 3.717 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)c2)c1 ZINC000538420551 1006689049 /nfs/dbraw/zinc/68/90/49/1006689049.db2.gz QPPNMTOLWQCFIJ-DQEYMECFSA-N 1 0 405.542 3.870 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCC[C@H]3N3CCOCC3)c2)c1 ZINC000538420553 1006689215 /nfs/dbraw/zinc/68/92/15/1006689215.db2.gz QPPNMTOLWQCFIJ-LOSJGSFVSA-N 1 0 405.542 3.870 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000538428989 1006694168 /nfs/dbraw/zinc/69/41/68/1006694168.db2.gz BWLSYSOLIIHCBJ-UHFFFAOYSA-N 1 0 423.991 3.674 20 30 HHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000532227554 1006734153 /nfs/dbraw/zinc/73/41/53/1006734153.db2.gz QDXSBWJCAMVMAU-VQIMIIECSA-N 1 0 410.493 3.682 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)c1C#N ZINC000534797638 1006801595 /nfs/dbraw/zinc/80/15/95/1006801595.db2.gz SJFCLQCOKCREBS-UHFFFAOYSA-N 1 0 420.951 3.833 20 30 HHEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)C2)CC1 ZINC000532351346 1006812681 /nfs/dbraw/zinc/81/26/81/1006812681.db2.gz MFWMBUKHUDUBCM-MOPGFXCFSA-N 1 0 415.607 3.713 20 30 HHEDRO Cc1cc(NC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)nn1CCC#N ZINC000538620505 1006890884 /nfs/dbraw/zinc/89/08/84/1006890884.db2.gz KYKYXRLLWOZFSK-LJQANCHMSA-N 1 0 414.941 3.935 20 30 HHEDRO CC(C)C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(C#N)cc1 ZINC000532499321 1006940414 /nfs/dbraw/zinc/94/04/14/1006940414.db2.gz KDIYEMALUGWXBY-UHFFFAOYSA-N 1 0 404.514 3.547 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)CC2)cc1 ZINC000516243910 1006972046 /nfs/dbraw/zinc/97/20/46/1006972046.db2.gz FWJLSQHDROTZAY-OAQYLSRUSA-N 1 0 424.932 3.953 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1OCCCC#N ZINC000538731826 1007013154 /nfs/dbraw/zinc/01/31/54/1007013154.db2.gz QXRQLMALNRIHNZ-LJQANCHMSA-N 1 0 401.551 3.752 20 30 HHEDRO COc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1OCCCC#N ZINC000538761541 1007045682 /nfs/dbraw/zinc/04/56/82/1007045682.db2.gz KMEZSIPZDPGROL-OAQYLSRUSA-N 1 0 402.535 3.928 20 30 HHEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C#N)c2cccc(Br)c2)CC1 ZINC000535021395 1007067871 /nfs/dbraw/zinc/06/78/71/1007067871.db2.gz GTDMXMDQDGBNDA-GOSISDBHSA-N 1 0 413.319 3.750 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CCC2 ZINC000532692482 1007107517 /nfs/dbraw/zinc/10/75/17/1007107517.db2.gz XFMMQXCPJFWHLT-UHFFFAOYSA-N 1 0 414.962 3.913 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000532733430 1007143563 /nfs/dbraw/zinc/14/35/63/1007143563.db2.gz CJGPXSJKFZNBIP-UHFFFAOYSA-N 1 0 424.545 3.802 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1Cl ZINC000532739937 1007150223 /nfs/dbraw/zinc/15/02/23/1007150223.db2.gz WXNJYPUIPWGOQP-UHFFFAOYSA-N 1 0 423.904 3.933 20 30 HHEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000538953933 1007241354 /nfs/dbraw/zinc/24/13/54/1007241354.db2.gz NAAIQOBQCQZXGF-UHFFFAOYSA-N 1 0 423.492 3.590 20 30 HHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC000538956200 1007244126 /nfs/dbraw/zinc/24/41/26/1007244126.db2.gz OWRZUEGGVSDGGP-AZUAARDMSA-N 1 0 401.551 3.847 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000517002565 1007369846 /nfs/dbraw/zinc/36/98/46/1007369846.db2.gz PMVGNUFEKYHJDE-IIBYNOLFSA-N 1 0 403.448 3.956 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000517132930 1007447961 /nfs/dbraw/zinc/44/79/61/1007447961.db2.gz CPRKEHKDKQJADX-SQJMNOBHSA-N 1 0 406.526 3.857 20 30 HHEDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000539214855 1007506957 /nfs/dbraw/zinc/50/69/57/1007506957.db2.gz XOBWQUGDTXKOBS-QGZVFWFLSA-N 1 0 405.523 3.984 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000539221704 1007514529 /nfs/dbraw/zinc/51/45/29/1007514529.db2.gz AUCYVDBZPGJSQK-AWEZNQCLSA-N 1 0 411.412 3.635 20 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CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3sc(C)c(C)c3C#N)ccc2NC1=O ZINC000539359635 1007661318 /nfs/dbraw/zinc/66/13/18/1007661318.db2.gz XEHRKQBVBFVAAA-PXAZEXFGSA-N 1 0 412.515 3.635 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535676238 1007701478 /nfs/dbraw/zinc/70/14/78/1007701478.db2.gz OLRHMGRJMYAWQE-YLJYHZDGSA-N 1 0 400.885 3.843 20 30 HHEDRO C=CCc1cc(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc(OC)c1OC ZINC000535686888 1007718808 /nfs/dbraw/zinc/71/88/08/1007718808.db2.gz WEZBIDZXTQSLGM-UHFFFAOYSA-N 1 0 415.509 3.632 20 30 HHEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533416899 1007724417 /nfs/dbraw/zinc/72/44/17/1007724417.db2.gz YHISOFKAZLKRFO-QHCPKHFHSA-N 1 0 401.514 3.820 20 30 HHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC(=O)Nc1cccc(C#N)c1 ZINC000533417158 1007724597 /nfs/dbraw/zinc/72/45/97/1007724597.db2.gz XIPUUVGMCYTCTG-UHFFFAOYSA-N 1 0 405.477 3.981 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1-c1ccc(C)cc1 ZINC000517563952 1007772689 /nfs/dbraw/zinc/77/26/89/1007772689.db2.gz RZJYONPOYKPRRJ-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO Clc1cccc(C#CCN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000533463664 1007773829 /nfs/dbraw/zinc/77/38/29/1007773829.db2.gz ZZWXMBREAXFAIR-QFIPXVFZSA-N 1 0 408.977 3.621 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000533489190 1007799204 /nfs/dbraw/zinc/79/92/04/1007799204.db2.gz QDSCOKODBMOHKB-CVEARBPZSA-N 1 0 421.467 3.517 20 30 HHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)ccc2NC1=O ZINC000539495085 1007806091 /nfs/dbraw/zinc/80/60/91/1007806091.db2.gz CVQYUAJGYQMLCB-GAJHUEQPSA-N 1 0 418.541 3.983 20 30 HHEDRO CC1(C)CN(C2(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)CCCCC2)CCO1 ZINC000539495539 1007806916 /nfs/dbraw/zinc/80/69/16/1007806916.db2.gz WGPGXUNGPGKZQN-UHFFFAOYSA-N 1 0 424.633 3.926 20 30 HHEDRO C=C(C)CN(CC)C(=O)C[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533532853 1007855558 /nfs/dbraw/zinc/85/55/58/1007855558.db2.gz URWKCIGZJNTQOY-UHFFFAOYSA-N 1 0 401.599 3.624 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1C#N ZINC000533540095 1007862208 /nfs/dbraw/zinc/86/22/08/1007862208.db2.gz DINKMMIMJJMUBT-UHFFFAOYSA-N 1 0 403.526 3.970 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)cc1OC ZINC000539610057 1007926484 /nfs/dbraw/zinc/92/64/84/1007926484.db2.gz OJOFPCISJODYRZ-HNNXBMFYSA-N 1 0 411.477 3.670 20 30 HHEDRO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cn2)C[C@H](C)O1 ZINC000517786214 1007967127 /nfs/dbraw/zinc/96/71/27/1007967127.db2.gz OMNTYNPPTLGZAQ-GASCZTMLSA-N 1 0 404.436 3.875 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)CC2)cc1 ZINC000539668391 1007987218 /nfs/dbraw/zinc/98/72/18/1007987218.db2.gz SAKBJRGZIGJIDV-JOCHJYFZSA-N 1 0 422.504 3.829 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000517852840 1008013543 /nfs/dbraw/zinc/01/35/43/1008013543.db2.gz DLXKJASZNVIMON-ZWKOTPCHSA-N 1 0 420.513 3.526 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000518005242 1008098197 /nfs/dbraw/zinc/09/81/97/1008098197.db2.gz ZEOPXSWQLWQRME-LJQANCHMSA-N 1 0 422.554 3.503 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000518022597 1008109901 /nfs/dbraw/zinc/10/99/01/1008109901.db2.gz MVPGBDNJULMCMS-UHFFFAOYSA-N 1 0 403.530 3.534 20 30 HHEDRO C=CC[N@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256519 1008229399 /nfs/dbraw/zinc/22/93/99/1008229399.db2.gz YTJLVYVSKKPZOR-NZQKXSOJSA-N 1 0 421.545 3.576 20 30 HHEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000518300348 1008248579 /nfs/dbraw/zinc/24/85/79/1008248579.db2.gz NZQMMLZESCSRLY-UHFFFAOYSA-N 1 0 404.392 3.610 20 30 HHEDRO CC(C)(CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCCCC1 ZINC000518550427 1008345330 /nfs/dbraw/zinc/34/53/30/1008345330.db2.gz AXCDRMYGTLVTJO-UHFFFAOYSA-N 1 0 400.914 3.783 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 ZINC000518553409 1008345991 /nfs/dbraw/zinc/34/59/91/1008345991.db2.gz VAOCRXKQXKKGIF-UHFFFAOYSA-N 1 0 408.590 3.946 20 30 HHEDRO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000540270503 1008362553 /nfs/dbraw/zinc/36/25/53/1008362553.db2.gz BGQMTDLMTGWMEC-OALUTQOASA-N 1 0 406.530 3.524 20 30 HHEDRO N#Cc1ccc(OCC[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000540319176 1008377533 /nfs/dbraw/zinc/37/75/33/1008377533.db2.gz KTOBLGJIGMWWPO-HXUWFJFHSA-N 1 0 417.431 3.909 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)Nc1ccccc1C#N ZINC000540394849 1008414975 /nfs/dbraw/zinc/41/49/75/1008414975.db2.gz BGISQELECLDBAX-DLBZAZTESA-N 1 0 413.481 3.883 20 30 HHEDRO CCC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccc(F)cc1 ZINC000540547715 1008476517 /nfs/dbraw/zinc/47/65/17/1008476517.db2.gz MYGSBGKOOVGNPL-FQEVSTJZSA-N 1 0 414.550 3.508 20 30 HHEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000540554410 1008479252 /nfs/dbraw/zinc/47/92/52/1008479252.db2.gz VWPMDCJJSYFGCG-ILBGXUMGSA-N 1 0 420.532 3.666 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1O2 ZINC000518963849 1008488778 /nfs/dbraw/zinc/48/87/78/1008488778.db2.gz QHSLJURLMYXJCO-NRFANRHFSA-N 1 0 421.566 3.896 20 30 HHEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000542961426 1008533597 /nfs/dbraw/zinc/53/35/97/1008533597.db2.gz KHLBZVXZDRJJPI-UHFFFAOYSA-N 1 0 400.914 3.735 20 30 HHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000519129626 1008554079 /nfs/dbraw/zinc/55/40/79/1008554079.db2.gz GEPJGRQTMHOIAG-UHFFFAOYSA-N 1 0 402.502 3.617 20 30 HHEDRO CCOc1cc2[nH+]ccc(N3CCN(c4cccc(C#N)n4)CC3)c2cc1OCC ZINC000545475968 1008581904 /nfs/dbraw/zinc/58/19/04/1008581904.db2.gz WEFUYUXIGKOBHW-UHFFFAOYSA-N 1 0 403.486 3.625 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549046016 1008612349 /nfs/dbraw/zinc/61/23/49/1008612349.db2.gz AMQQQYCOPHYRLU-KDURUIRLSA-N 1 0 422.577 3.552 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549115550 1008682148 /nfs/dbraw/zinc/68/21/48/1008682148.db2.gz JHRCASMYMWHXQQ-UKRRQHHQSA-N 1 0 402.354 3.746 20 30 HHEDRO CCN1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549116362 1008683078 /nfs/dbraw/zinc/68/30/78/1008683078.db2.gz NBLWHSWXWQMPTJ-PZJWPPBQSA-N 1 0 400.885 3.714 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)CCC#N ZINC000549116095 1008683192 /nfs/dbraw/zinc/68/31/92/1008683192.db2.gz NJHOVEMJOGMPHC-ZOCIIQOWSA-N 1 0 408.949 3.743 20 30 HHEDRO COc1cccc([C@H]2[C@H]([NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)CCN2C2CC2)c1 ZINC000549116449 1008684126 /nfs/dbraw/zinc/68/41/26/1008684126.db2.gz PLTXVGYLYSFJFE-OFNKIYASSA-N 1 0 424.932 3.726 20 30 HHEDRO N#Cc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2Cc2ccccc2)cc1 ZINC000549124379 1008692829 /nfs/dbraw/zinc/69/28/29/1008692829.db2.gz AQVHEKHJXHTVQI-QHCPKHFHSA-N 1 0 412.541 3.930 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000519290253 1008701353 /nfs/dbraw/zinc/70/13/53/1008701353.db2.gz PSJLJUVPHHIKQN-UHFFFAOYSA-N 1 0 409.555 3.933 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC000549162723 1008733028 /nfs/dbraw/zinc/73/30/28/1008733028.db2.gz RTDQVTMHPGPDJV-FZKQIMNGSA-N 1 0 416.403 3.515 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000549247750 1008818292 /nfs/dbraw/zinc/81/82/92/1008818292.db2.gz BRRZNVADDNPPBE-UHFFFAOYSA-N 1 0 409.578 3.911 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549249521 1008819816 /nfs/dbraw/zinc/81/98/16/1008819816.db2.gz DNVMUUWQPMYYTD-IBGZPJMESA-N 1 0 411.550 3.506 20 30 HHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549249802 1008821013 /nfs/dbraw/zinc/82/10/13/1008821013.db2.gz JJHQADCGPQYVOX-NRFANRHFSA-N 1 0 404.562 3.922 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549264129 1008833658 /nfs/dbraw/zinc/83/36/58/1008833658.db2.gz YOKZFLPORRXPEY-OAHLLOKOSA-N 1 0 421.387 3.780 20 30 HHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000549285475 1008856556 /nfs/dbraw/zinc/85/65/56/1008856556.db2.gz IXGDNEPWGPTIKU-QFIPXVFZSA-N 1 0 414.642 3.582 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000549301558 1008876877 /nfs/dbraw/zinc/87/68/77/1008876877.db2.gz CZSQJIIZSKBJFJ-UHFFFAOYSA-N 1 0 412.541 3.758 20 30 HHEDRO N#CCCn1cc(C=Cc2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)c2ccccc21 ZINC000545847784 1008934648 /nfs/dbraw/zinc/93/46/48/1008934648.db2.gz ILNXZLCUYDMLQJ-WAGRNVLXSA-N 1 0 400.486 3.964 20 30 HHEDRO CC1CCN([C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c2ccccc2)CC1 ZINC000519656192 1008942589 /nfs/dbraw/zinc/94/25/89/1008942589.db2.gz LBRPPFWTQHFING-ZCYQVOJMSA-N 1 0 407.558 3.555 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000519781601 1009003522 /nfs/dbraw/zinc/00/35/22/1009003522.db2.gz SODGHJCGMFIAHH-UHFFFAOYSA-N 1 0 423.605 3.971 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)c1cccc(OC)c1 ZINC000545964828 1009023377 /nfs/dbraw/zinc/02/33/77/1009023377.db2.gz NTWVVOIESASBEE-QHCPKHFHSA-N 1 0 417.513 3.565 20 30 HHEDRO CC(C)(C#N)c1ccc(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@@H]3C(N)=O)no2)cc1 ZINC000519848363 1009030944 /nfs/dbraw/zinc/03/09/44/1009030944.db2.gz GEFCTCLOTMGOTO-HXUWFJFHSA-N 1 0 415.497 3.654 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000549467399 1009059668 /nfs/dbraw/zinc/05/96/68/1009059668.db2.gz CMFFTRLRCQEFCG-UZQPLGKSSA-N 1 0 412.484 3.977 20 30 HHEDRO COc1cccc([C@@H]2[C@H]([NH2+]CC(=O)N(CCC#N)c3ccccc3)CCN2C2CC2)c1 ZINC000549468175 1009061344 /nfs/dbraw/zinc/06/13/44/1009061344.db2.gz IMRZAXQBJRTNGM-ILBGXUMGSA-N 1 0 418.541 3.509 20 30 HHEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549483876 1009084381 /nfs/dbraw/zinc/08/43/81/1009084381.db2.gz UZPJHLWCSFCPSE-SIKLNZKXSA-N 1 0 416.447 3.729 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)CC3(C#N)CCCC3)cc2)C1 ZINC000546091633 1009117012 /nfs/dbraw/zinc/11/70/12/1009117012.db2.gz CWPFKXRHJYARNK-RTBURBONSA-N 1 0 403.592 3.668 20 30 HHEDRO C=CCCO[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000520018848 1009173300 /nfs/dbraw/zinc/17/33/00/1009173300.db2.gz FJCWGBNQCGMIMA-NRFANRHFSA-N 1 0 407.558 3.606 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC#Cc1cccc(F)c1 ZINC000549583281 1009209315 /nfs/dbraw/zinc/20/93/15/1009209315.db2.gz HWIFCJFITSTAGQ-UHFFFAOYSA-N 1 0 421.438 3.969 20 30 HHEDRO Cc1cccc(C)c1[C@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000546225162 1009251186 /nfs/dbraw/zinc/25/11/86/1009251186.db2.gz GHPWQQVDTOFPIZ-SIKLNZKXSA-N 1 0 408.521 3.502 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000549668812 1009299243 /nfs/dbraw/zinc/29/92/43/1009299243.db2.gz ANWIGUFESJLKRS-UHFFFAOYSA-N 1 0 416.573 3.941 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(Oc3cccc(Br)c3)CC2)CC1 ZINC000543694410 1009302843 /nfs/dbraw/zinc/30/28/43/1009302843.db2.gz BBVKIZYOOUNIGP-UHFFFAOYSA-N 1 0 422.367 3.652 20 30 HHEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC(F)F ZINC000543786757 1009356007 /nfs/dbraw/zinc/35/60/07/1009356007.db2.gz IPVZHINFZLLQHF-UHFFFAOYSA-N 1 0 401.457 3.922 20 30 HHEDRO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870762 1009438728 /nfs/dbraw/zinc/43/87/28/1009438728.db2.gz LNOIQNKFXXJKQO-KRWDZBQOSA-N 1 0 402.498 3.740 20 30 HHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543888386 1009466148 /nfs/dbraw/zinc/46/61/48/1009466148.db2.gz LJALYZIYEVVNTG-IBGZPJMESA-N 1 0 422.920 3.692 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H]1C ZINC000543889333 1009467076 /nfs/dbraw/zinc/46/70/76/1009467076.db2.gz UJNLOHCLHYOVMN-YOEHRIQHSA-N 1 0 400.914 3.734 20 30 HHEDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000543891400 1009470164 /nfs/dbraw/zinc/47/01/64/1009470164.db2.gz AEDRXUJIAYLJKU-UHFFFAOYSA-N 1 0 414.941 3.981 20 30 HHEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000520443668 1009557744 /nfs/dbraw/zinc/55/77/44/1009557744.db2.gz SSXHFLWCAOBJFY-SFHVURJKSA-N 1 0 405.502 3.662 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550029767 1009627253 /nfs/dbraw/zinc/62/72/53/1009627253.db2.gz WKBZMDRRFIVBFI-MGPUTAFESA-N 1 0 409.933 3.603 20 30 HHEDRO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(CC#N)cc4)CC3)cc2NC1=O ZINC000544072262 1009676387 /nfs/dbraw/zinc/67/63/87/1009676387.db2.gz SMWJHXFYXICVDP-MRXNPFEDSA-N 1 0 403.482 3.567 20 30 HHEDRO COc1cccc(-c2noc([C@@H](C)[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)n2)c1 ZINC000520658686 1009729651 /nfs/dbraw/zinc/72/96/51/1009729651.db2.gz DYLKBRSEZSEGFR-MRXNPFEDSA-N 1 0 403.486 3.936 20 30 HHEDRO COCCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1OC ZINC000520660499 1009731817 /nfs/dbraw/zinc/73/18/17/1009731817.db2.gz WANSTSNIYTUDQM-UHFFFAOYSA-N 1 0 414.477 3.775 20 30 HHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000550163921 1009744226 /nfs/dbraw/zinc/74/42/26/1009744226.db2.gz ZPHDXFBGNNNQMF-UHFFFAOYSA-N 1 0 402.420 3.709 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CC1 ZINC000520744244 1009813737 /nfs/dbraw/zinc/81/37/37/1009813737.db2.gz VEEXHAHJTJTWNR-UHFFFAOYSA-N 1 0 404.514 3.661 20 30 HHEDRO N#CCCN(C(=O)CN1CC[NH+](CC2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000520848669 1009901560 /nfs/dbraw/zinc/90/15/60/1009901560.db2.gz PXNKJTSOAWWQKA-UHFFFAOYSA-N 1 0 402.970 3.785 20 30 HHEDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000550409556 1009915865 /nfs/dbraw/zinc/91/58/65/1009915865.db2.gz NZFPVZBMNANMQS-MRXNPFEDSA-N 1 0 421.944 3.892 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000544298950 1009917544 /nfs/dbraw/zinc/91/75/44/1009917544.db2.gz GFZGXUKQWLFRRB-UHFFFAOYSA-N 1 0 410.518 3.616 20 30 HHEDRO C=CCOc1ccc(-c2nc(-c3ccc(N4CCC[N@H+](C)CC4)nc3)no2)cc1OC ZINC000544388498 1010010623 /nfs/dbraw/zinc/01/06/23/1010010623.db2.gz SZEJFKQEVRRJCV-UHFFFAOYSA-N 1 0 421.501 3.514 20 30 HHEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000544420615 1010038293 /nfs/dbraw/zinc/03/82/93/1010038293.db2.gz DEVYIGQEZUQNBK-INIZCTEOSA-N 1 0 410.449 3.512 20 30 HHEDRO COc1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000547399583 1010289090 /nfs/dbraw/zinc/28/90/90/1010289090.db2.gz XBSZWWQRPYFBAU-UHFFFAOYSA-N 1 0 422.525 3.917 20 30 HHEDRO C[C@H](NC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(C#N)cc1 ZINC000550979003 1010295160 /nfs/dbraw/zinc/29/51/60/1010295160.db2.gz HDFQYJKAHXKGRB-OALUTQOASA-N 1 0 418.541 3.515 20 30 HHEDRO CC[NH+](CC)CC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000550983311 1010297227 /nfs/dbraw/zinc/29/72/27/1010297227.db2.gz PQOGWTLESMWCLC-UHFFFAOYSA-N 1 0 421.589 3.958 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000521468733 1010390654 /nfs/dbraw/zinc/39/06/54/1010390654.db2.gz ICGMCYDLGVVDLX-MUZJZNNISA-N 1 0 416.532 3.558 20 30 HHEDRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c21 ZINC000521517927 1010431855 /nfs/dbraw/zinc/43/18/55/1010431855.db2.gz WKPNQXTVVNEYIE-UHFFFAOYSA-N 1 0 409.490 3.914 20 30 HHEDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CC1 ZINC000521655589 1010527800 /nfs/dbraw/zinc/52/78/00/1010527800.db2.gz LTIKLJCAYOYEIL-NRFANRHFSA-N 1 0 419.529 3.594 20 30 HHEDRO Cc1n[nH]cc1C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000551424553 1010578742 /nfs/dbraw/zinc/57/87/42/1010578742.db2.gz KGVWUDZEXUOROU-CQSZACIVSA-N 1 0 411.575 3.984 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000521739497 1010584654 /nfs/dbraw/zinc/58/46/54/1010584654.db2.gz HWMWQSFRCMESRY-UHFFFAOYSA-N 1 0 422.554 3.543 20 30 HHEDRO C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000548608949 1010680432 /nfs/dbraw/zinc/68/04/32/1010680432.db2.gz QXASNGQVPBTOFA-CQSZACIVSA-N 1 0 400.885 3.594 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(C[NH+](C)C)CCCC2)cc1C ZINC000545355882 1010747511 /nfs/dbraw/zinc/74/75/11/1010747511.db2.gz QOZHELRCBZQHQJ-UHFFFAOYSA-N 1 0 407.562 3.932 20 30 HHEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c(C#N)c1C ZINC000551719255 1010759859 /nfs/dbraw/zinc/75/98/59/1010759859.db2.gz TYUPSLYEUFRIHS-PIGZYNQJSA-N 1 0 417.307 3.994 20 30 HHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000522205667 1010864849 /nfs/dbraw/zinc/86/48/49/1010864849.db2.gz UJHQHYHQGKEJEJ-GOTSBHOMSA-N 1 0 415.581 3.717 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000522341208 1010941983 /nfs/dbraw/zinc/94/19/83/1010941983.db2.gz TXMNRJOGMNMZAA-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000522692969 1011161612 /nfs/dbraw/zinc/16/16/12/1011161612.db2.gz HZVRLUPRTNVVSP-UHFFFAOYSA-N 1 0 423.557 3.850 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000522772956 1011208056 /nfs/dbraw/zinc/20/80/56/1011208056.db2.gz HNBDZOJRPPHSQZ-QZTJIDSGSA-N 1 0 416.591 3.790 20 30 HHEDRO N#Cc1ccc2ncc(CNc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)n2c1 ZINC000536103928 1011223377 /nfs/dbraw/zinc/22/33/77/1011223377.db2.gz UBJARELOVXQGLV-UHFFFAOYSA-N 1 0 402.502 3.633 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000540605118 1011258702 /nfs/dbraw/zinc/25/87/02/1011258702.db2.gz FRFDWSJTCTVZHB-QFIPXVFZSA-N 1 0 408.933 3.571 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000536170886 1011302464 /nfs/dbraw/zinc/30/24/64/1011302464.db2.gz VTBYYNLYZJZGGP-WOJBJXKFSA-N 1 0 401.432 3.802 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000536170881 1011302544 /nfs/dbraw/zinc/30/25/44/1011302544.db2.gz VTBYYNLYZJZGGP-UXHICEINSA-N 1 0 401.432 3.802 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536184813 1011321663 /nfs/dbraw/zinc/32/16/63/1011321663.db2.gz FMEYJBQWLNAAMP-OZOXKJRCSA-N 1 0 422.554 3.581 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1c1ccccc1 ZINC000536225442 1011373183 /nfs/dbraw/zinc/37/31/83/1011373183.db2.gz KYPYXXPZXUENFJ-AELPEBTASA-N 1 0 418.541 3.993 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H]1c1ccccc1 ZINC000536266113 1011435587 /nfs/dbraw/zinc/43/55/87/1011435587.db2.gz XIJDNOHIBRRAPB-JTHBVZDNSA-N 1 0 401.466 3.905 20 30 HHEDRO Cc1cc(NC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)nn1CCC#N ZINC000540818089 1011479771 /nfs/dbraw/zinc/47/97/71/1011479771.db2.gz FAHRGIQTUTXQEX-HXUWFJFHSA-N 1 0 408.550 3.700 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826111 1011490243 /nfs/dbraw/zinc/49/02/43/1011490243.db2.gz FQBQMJRMJXORMC-HSZRJFAPSA-N 1 0 420.557 3.854 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083423 1011553750 /nfs/dbraw/zinc/55/37/50/1011553750.db2.gz CXTIGYZSKTWMIG-ZWKOTPCHSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083420 1011553859 /nfs/dbraw/zinc/55/38/59/1011553859.db2.gz CXTIGYZSKTWMIG-MSOLQXFVSA-N 1 0 420.513 3.526 20 30 HHEDRO CC(C)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccnc2)no1 ZINC000540984722 1011617752 /nfs/dbraw/zinc/61/77/52/1011617752.db2.gz YMIBLFMSYFJNRV-QFIPXVFZSA-N 1 0 416.529 3.955 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[N@@H+]1Cc1ccccc1 ZINC000541098503 1011744546 /nfs/dbraw/zinc/74/45/46/1011744546.db2.gz KSCDEURZRQKHSK-QFBILLFUSA-N 1 0 418.476 3.668 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)n2)c(F)c1 ZINC000541102805 1011749529 /nfs/dbraw/zinc/74/95/29/1011749529.db2.gz ILMKQZQVTINMGO-GOSISDBHSA-N 1 0 424.505 3.903 20 30 HHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)CC1 ZINC000541107027 1011754104 /nfs/dbraw/zinc/75/41/04/1011754104.db2.gz YXBQCKVEOVAFRZ-MRXNPFEDSA-N 1 0 412.925 3.593 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc([S@](C)=O)cc1 ZINC000541123317 1011779680 /nfs/dbraw/zinc/77/96/80/1011779680.db2.gz MPWIXLJEXGYOCZ-UIAYHMMPSA-N 1 0 401.557 3.524 20 30 HHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000536697578 1011866085 /nfs/dbraw/zinc/86/60/85/1011866085.db2.gz NHAUNRVRFCQMJJ-SFHVURJKSA-N 1 0 411.468 3.992 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccc4OC(F)F)C3)CC2)cc1 ZINC000552044084 1012062582 /nfs/dbraw/zinc/06/25/82/1012062582.db2.gz PBRLFSHOPMZERH-LJQANCHMSA-N 1 0 412.484 3.997 20 30 HHEDRO CN1C(=O)C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000552061903 1012081992 /nfs/dbraw/zinc/08/19/92/1012081992.db2.gz DXKDURSIDZDHHH-JTHBVZDNSA-N 1 0 408.933 3.742 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552136575 1012155460 /nfs/dbraw/zinc/15/54/60/1012155460.db2.gz CTAWUWCDXCBKQX-BTYIYWSLSA-N 1 0 403.860 3.842 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552199851 1012212471 /nfs/dbraw/zinc/21/24/71/1012212471.db2.gz LAZUGRSBDJGVFK-FQEVSTJZSA-N 1 0 403.526 3.840 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(Br)cc2)CC1 ZINC000536928284 1012214027 /nfs/dbraw/zinc/21/40/27/1012214027.db2.gz MIOHXNTUOWQKCX-HNAYVOBHSA-N 1 0 424.383 3.865 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](O)COc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000552252474 1012262429 /nfs/dbraw/zinc/26/24/29/1012262429.db2.gz ONGJRDUQEWVGKN-FQEVSTJZSA-N 1 0 419.447 3.575 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000541490664 1012265481 /nfs/dbraw/zinc/26/54/81/1012265481.db2.gz MAVOFCNOUSICBU-NRFANRHFSA-N 1 0 422.529 3.760 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000541499489 1012277669 /nfs/dbraw/zinc/27/76/69/1012277669.db2.gz PSLCXGSDWPUSLO-UHFFFAOYSA-N 1 0 408.502 3.501 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000541500852 1012280649 /nfs/dbraw/zinc/28/06/49/1012280649.db2.gz ZWAOIARLRXTLFW-UHFFFAOYSA-N 1 0 422.529 3.712 20 30 HHEDRO CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000552363184 1012372937 /nfs/dbraw/zinc/37/29/37/1012372937.db2.gz FZFYBVKLFYBHMD-RTWAWAEBSA-N 1 0 402.970 3.621 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000537053005 1012379971 /nfs/dbraw/zinc/37/99/71/1012379971.db2.gz ZESCHCBOQSKWBM-IBGZPJMESA-N 1 0 410.562 3.908 20 30 HHEDRO C[NH+](C)Cc1cc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)ccc1F ZINC000523776570 1012420510 /nfs/dbraw/zinc/42/05/10/1012420510.db2.gz GVBAPEDDIRGLPI-UHFFFAOYSA-N 1 0 424.520 3.948 20 30 HHEDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541636580 1012450995 /nfs/dbraw/zinc/45/09/95/1012450995.db2.gz ADKCIHFBRSUYPJ-KDOFPFPSSA-N 1 0 416.591 3.630 20 30 HHEDRO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000537109418 1012482526 /nfs/dbraw/zinc/48/25/26/1012482526.db2.gz LYNBNYOMWYULJB-NRFANRHFSA-N 1 0 406.486 3.534 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000537136084 1012523428 /nfs/dbraw/zinc/52/34/28/1012523428.db2.gz JQDSILJGFMKVNH-LSDHHAIUSA-N 1 0 405.527 3.972 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000537157061 1012553128 /nfs/dbraw/zinc/55/31/28/1012553128.db2.gz LXNCZSPWEJTHPB-NFBKMPQASA-N 1 0 411.590 3.781 20 30 HHEDRO CC(C)COC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000523883268 1012584664 /nfs/dbraw/zinc/58/46/64/1012584664.db2.gz FAPPEUJSHCLLKL-JOCHJYFZSA-N 1 0 424.545 3.782 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000537249452 1012694624 /nfs/dbraw/zinc/69/46/24/1012694624.db2.gz UTJCATREPAFNBU-OFNKIYASSA-N 1 0 408.571 3.588 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000541843257 1012731066 /nfs/dbraw/zinc/73/10/66/1012731066.db2.gz CANSBKSUPGJQDK-GOTSBHOMSA-N 1 0 421.566 3.789 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000537278345 1012733101 /nfs/dbraw/zinc/73/31/01/1012733101.db2.gz DISNVMSENYJSBX-VWKPWSFCSA-N 1 0 403.548 3.731 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000537282144 1012737219 /nfs/dbraw/zinc/73/72/19/1012737219.db2.gz WNNHYKJJVWIMIS-CKJXQJPGSA-N 1 0 403.548 3.588 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000537295823 1012753666 /nfs/dbraw/zinc/75/36/66/1012753666.db2.gz REVDYUHVYJVONX-QFIPXVFZSA-N 1 0 422.960 3.961 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccnc3OCC(F)(F)F)CC2)cc1 ZINC000537296520 1012753955 /nfs/dbraw/zinc/75/39/55/1012753955.db2.gz COVZMQARSFXVLM-UHFFFAOYSA-N 1 0 404.436 3.649 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000541908405 1012768427 /nfs/dbraw/zinc/76/84/27/1012768427.db2.gz NCMSFNISIHCYTC-UHFFFAOYSA-N 1 0 418.476 3.801 20 30 HHEDRO C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)C2)C1 ZINC000541949148 1012809548 /nfs/dbraw/zinc/80/95/48/1012809548.db2.gz NLUYWGDNBUFXFA-HHJKRLRDSA-N 1 0 424.589 3.868 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000542025746 1012919709 /nfs/dbraw/zinc/91/97/09/1012919709.db2.gz FIALOZMEPALPDD-BEFAXECRSA-N 1 0 424.936 3.878 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[NH+]1CCC(C)CC1 ZINC000542033799 1012931592 /nfs/dbraw/zinc/93/15/92/1012931592.db2.gz RYECWWMWXQDJAE-OAHLLOKOSA-N 1 0 400.914 3.639 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000542035138 1012933928 /nfs/dbraw/zinc/93/39/28/1012933928.db2.gz VNXBOYQIQHEFKP-LJQANCHMSA-N 1 0 420.904 3.793 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000537454210 1012947692 /nfs/dbraw/zinc/94/76/92/1012947692.db2.gz FEVXKWPOTAIMGI-JOCHJYFZSA-N 1 0 416.525 3.660 20 30 HHEDRO C=CCSc1ccccc1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553047484 1013023098 /nfs/dbraw/zinc/02/30/98/1013023098.db2.gz MRWSQVYPXJHFAV-QFIPXVFZSA-N 1 0 421.610 3.997 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c(OC)c1 ZINC000524218168 1013027702 /nfs/dbraw/zinc/02/77/02/1013027702.db2.gz WULGNXLLDBAOBH-UHFFFAOYSA-N 1 0 409.530 3.947 20 30 HHEDRO Cc1cc(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1CCC#N ZINC000537515842 1013029943 /nfs/dbraw/zinc/02/99/43/1013029943.db2.gz XJCVCUMGQBBHLV-ROUUACIJSA-N 1 0 408.550 3.905 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)cc1 ZINC000904622581 1071816680 /nfs/dbraw/zinc/81/66/80/1071816680.db2.gz JPRVTPIKCZCVKK-KRWDZBQOSA-N 1 0 421.888 3.844 20 30 HHEDRO Cc1cccc(CN(C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1 ZINC000532922208 1071836758 /nfs/dbraw/zinc/83/67/58/1071836758.db2.gz ZCGSPFBEUVYDRU-FQEVSTJZSA-N 1 0 420.557 3.797 20 30 HHEDRO Cc1cc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)ccc1C#N ZINC000488238636 1072153403 /nfs/dbraw/zinc/15/34/03/1072153403.db2.gz VCTZGEMYUNOLAC-INIZCTEOSA-N 1 0 403.482 3.681 20 30 HHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168275517 1072156031 /nfs/dbraw/zinc/15/60/31/1072156031.db2.gz MGOILUZOCPTZHN-HUUCEWRRSA-N 1 0 411.449 3.653 20 30 HHEDRO COC(=O)[C@H](N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccc(C#N)c1 ZINC000612051721 1072219394 /nfs/dbraw/zinc/21/93/94/1072219394.db2.gz JURSPHRVMDXGBO-MOUTVQLLSA-N 1 0 403.526 3.663 20 30 HHEDRO N#CCOc1cccc(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000760392134 1072313963 /nfs/dbraw/zinc/31/39/63/1072313963.db2.gz IITDDJQBIVHRRI-VWLOTQADSA-N 1 0 403.526 3.646 20 30 HHEDRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168296164 1072450883 /nfs/dbraw/zinc/45/08/83/1072450883.db2.gz UKANXUNRNGIXCO-CYFREDJKSA-N 1 0 419.573 3.823 20 30 HHEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000586872984 1072497655 /nfs/dbraw/zinc/49/76/55/1072497655.db2.gz CCSFGFKFVMEALJ-JOCHJYFZSA-N 1 0 420.532 3.567 20 30 HHEDRO CC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586874867 1072499264 /nfs/dbraw/zinc/49/92/64/1072499264.db2.gz VTDYDXLMVYNKJF-OALUTQOASA-N 1 0 400.954 3.561 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+]C3(CO)CCCC3)sc2C1 ZINC001168323657 1072504481 /nfs/dbraw/zinc/50/44/81/1072504481.db2.gz DIVHGVLPJBCUSG-OAHLLOKOSA-N 1 0 403.592 3.994 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000554903800 1072938407 /nfs/dbraw/zinc/93/84/07/1072938407.db2.gz LYGXLSQYAMHWOR-IBGZPJMESA-N 1 0 400.910 3.680 20 30 HHEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3ccc(C#N)c(F)c3)c2)CC1 ZINC000555042726 1073095608 /nfs/dbraw/zinc/09/56/08/1073095608.db2.gz PIUHVSCNSJLXKG-UHFFFAOYSA-N 1 0 408.477 3.549 20 30 HHEDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c(C)c2)CC1 ZINC000555064554 1073115593 /nfs/dbraw/zinc/11/55/93/1073115593.db2.gz FOTGEPITFMBQAT-UHFFFAOYSA-N 1 0 417.435 3.675 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555093814 1073142526 /nfs/dbraw/zinc/14/25/26/1073142526.db2.gz YCNNKOBLIFZCAZ-NRFANRHFSA-N 1 0 400.530 3.795 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000555229178 1073274667 /nfs/dbraw/zinc/27/46/67/1073274667.db2.gz DOPPDOHHKWMOGZ-HXUWFJFHSA-N 1 0 412.921 3.740 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000555250606 1073280902 /nfs/dbraw/zinc/28/09/02/1073280902.db2.gz ONIYIKZFJCPXMU-JOCHJYFZSA-N 1 0 409.578 3.697 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1ccccc1C(F)(F)F ZINC000588967160 1073363187 /nfs/dbraw/zinc/36/31/87/1073363187.db2.gz PYKMXAWPQADSMC-UONOGXRCSA-N 1 0 411.449 3.528 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000590097750 1073582837 /nfs/dbraw/zinc/58/28/37/1073582837.db2.gz UUHDBGSCTYQABO-AGILITTLSA-N 1 0 402.542 3.655 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000555657375 1073711263 /nfs/dbraw/zinc/71/12/63/1073711263.db2.gz IHTYPMBNSNQKEU-IRXDYDNUSA-N 1 0 410.587 3.712 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1C#N ZINC000555734666 1073780654 /nfs/dbraw/zinc/78/06/54/1073780654.db2.gz DKFSYJFNXPAOTK-NRFANRHFSA-N 1 0 400.567 3.807 20 30 HHEDRO c1ccc(CCNC(NCCc2nnc3ccccn32)=[NH+]CC2CCCCC2)cc1 ZINC000899892596 1073951805 /nfs/dbraw/zinc/95/18/05/1073951805.db2.gz DKVXLWWORHLONJ-UHFFFAOYSA-N 1 0 404.562 3.630 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C(C)C ZINC000760790155 1073983830 /nfs/dbraw/zinc/98/38/30/1073983830.db2.gz SGXVCHYRCBRVIS-INIZCTEOSA-N 1 0 410.312 3.786 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000591512054 1074357120 /nfs/dbraw/zinc/35/71/20/1074357120.db2.gz XPHRUJQZYVJTKH-UHFFFAOYSA-N 1 0 409.530 3.920 20 30 HHEDRO C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000573490816 1074526572 /nfs/dbraw/zinc/52/65/72/1074526572.db2.gz ZULZMUTZIJASGN-HXUWFJFHSA-N 1 0 405.546 3.943 20 30 HHEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000573523456 1074537800 /nfs/dbraw/zinc/53/78/00/1074537800.db2.gz CLOKTVMEFCOQSM-KRWDZBQOSA-N 1 0 408.502 3.526 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000573626732 1074594268 /nfs/dbraw/zinc/59/42/68/1074594268.db2.gz NNPJQFNBOUKWLP-UNMCSNQZSA-N 1 0 417.557 3.701 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC000592075690 1074687852 /nfs/dbraw/zinc/68/78/52/1074687852.db2.gz VGHZYYIIMPCTHM-UHFFFAOYSA-N 1 0 406.452 3.970 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000592076563 1074688183 /nfs/dbraw/zinc/68/81/83/1074688183.db2.gz GWTRCLSKFYFFIF-UHFFFAOYSA-N 1 0 404.514 3.684 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000574306937 1075216848 /nfs/dbraw/zinc/21/68/48/1075216848.db2.gz MRCHVJNQPNXOAE-LADGPHEKSA-N 1 0 419.569 3.791 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000574541392 1075284733 /nfs/dbraw/zinc/28/47/33/1075284733.db2.gz KDNCCBPVGRXXPM-GSHUGGBRSA-N 1 0 416.591 3.504 20 30 HHEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N3CCCCC3)s1)CC2 ZINC000574964462 1075434190 /nfs/dbraw/zinc/43/41/90/1075434190.db2.gz JHPVRQMLZNNBPQ-FQEVSTJZSA-N 1 0 415.584 3.614 20 30 HHEDRO O=C1c2ccccc2C(Nc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)=C1c1ccccc1 ZINC001168410366 1075602121 /nfs/dbraw/zinc/60/21/21/1075602121.db2.gz XXXZBAYRQMEEQT-KRWDZBQOSA-N 1 0 407.477 3.983 20 30 HHEDRO COc1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(C#N)c(Cl)n1 ZINC001164413236 718880615 /nfs/dbraw/zinc/88/06/15/718880615.db2.gz FBSLSXYFZYLKSQ-GFCCVEGCSA-N 1 0 424.801 3.813 20 30 HHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C#C[Si](C)(C)C)CC2)CC1 ZINC001164616380 719029195 /nfs/dbraw/zinc/02/91/95/719029195.db2.gz CRIROIUFLAGLAQ-UHFFFAOYSA-N 1 0 413.638 3.554 20 30 HHEDRO N#CC1(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2)CCOCC1 ZINC001164628058 719094052 /nfs/dbraw/zinc/09/40/52/719094052.db2.gz LXQPWYZDZBUXDM-GMAHTHKFSA-N 1 0 402.542 3.754 20 30 HHEDRO CC(C)C[NH+]1CCN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CC1 ZINC001164662552 719340673 /nfs/dbraw/zinc/34/06/73/719340673.db2.gz OZQLMUWPTZICJS-UHFFFAOYSA-N 1 0 405.880 3.992 20 30 HHEDRO N#Cc1cc(F)c(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164698219 719885915 /nfs/dbraw/zinc/88/59/15/719885915.db2.gz DQJIKBYLFQBJPW-UHFFFAOYSA-N 1 0 406.914 3.679 20 30 HHEDRO CCCc1cc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1Cl ZINC001164810659 720130051 /nfs/dbraw/zinc/13/00/51/720130051.db2.gz KNYTXOJBPAPUTL-KNQAVFIVSA-N 1 0 402.970 3.744 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C#C[Si](C)(C)C)C2 ZINC001164815053 720150619 /nfs/dbraw/zinc/15/06/19/720150619.db2.gz HPUJFFLIHQWGRO-ISKFKSNPSA-N 1 0 411.666 3.804 20 30 HHEDRO N#C[C@H](c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nn1)c1ccccc1F ZINC001164723955 720405947 /nfs/dbraw/zinc/40/59/47/720405947.db2.gz IIPODJCCRVCVJE-AJSBUHFISA-N 1 0 414.488 3.519 20 30 HHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164740915 720598987 /nfs/dbraw/zinc/59/89/87/720598987.db2.gz KHPYPYSLZVVIBQ-UHFFFAOYSA-N 1 0 420.948 3.923 20 30 HHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900962 721515605 /nfs/dbraw/zinc/51/56/05/721515605.db2.gz VEQVWTPQOHTWLN-GOEBONIOSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898538 721517848 /nfs/dbraw/zinc/51/78/48/721517848.db2.gz ILGVWXNOEPKPKS-SJLPKXTDSA-N 1 0 423.879 3.636 20 30 HHEDRO N#Cc1cc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908347 721717435 /nfs/dbraw/zinc/71/74/35/721717435.db2.gz XEZRJPMBFITUMT-LJQANCHMSA-N 1 0 403.864 3.739 20 30 HHEDRO N#Cc1cc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc2[nH]1 ZINC001164906978 721721807 /nfs/dbraw/zinc/72/18/07/721721807.db2.gz PDMKEXOSIQRKJU-NRFANRHFSA-N 1 0 408.456 3.567 20 30 HHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(c3C#N)CCCC4)C[C@@H]21 ZINC001165025118 721831299 /nfs/dbraw/zinc/83/12/99/721831299.db2.gz LTSQOGBWEXQVOM-VEXUSMLFSA-N 1 0 401.558 3.964 20 30 HHEDRO N#Cc1ccccc1COc1cccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000524237834 1013047258 /nfs/dbraw/zinc/04/72/58/1013047258.db2.gz DLZWWAAEXSWQCA-NRFANRHFSA-N 1 0 405.542 3.728 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000301875039 971095230 /nfs/dbraw/zinc/09/52/30/971095230.db2.gz MBRIVARLUAXRNX-ZWKOTPCHSA-N 1 0 424.451 3.755 20 30 HHEDRO N#Cc1ccc(C(F)(F)F)c(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000302302963 971223056 /nfs/dbraw/zinc/22/30/56/971223056.db2.gz QLQLESIDMSHHBB-GOSISDBHSA-N 1 0 416.447 3.886 20 30 HHEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000553102409 1013068025 /nfs/dbraw/zinc/06/80/25/1013068025.db2.gz OYNDFGRNHAVWCE-SUMNFNSASA-N 1 0 415.584 3.915 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@H](Nc3nc4cc(Cl)ccn4c3C#N)C2)cc(OC)c1 ZINC000553108310 1013073038 /nfs/dbraw/zinc/07/30/38/1013073038.db2.gz HEDJSLICMRWLFR-INIZCTEOSA-N 1 0 411.893 3.563 20 30 HHEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000542145076 1013079155 /nfs/dbraw/zinc/07/91/55/1013079155.db2.gz PIJMDMHBRUALDG-SRWJYRBRSA-N 1 0 408.502 3.659 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000303043127 971472979 /nfs/dbraw/zinc/47/29/79/971472979.db2.gz SUENYBDRRDCBBV-GOTSBHOMSA-N 1 0 416.606 3.607 20 30 HHEDRO CCCCN(C)C(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000303217034 971565499 /nfs/dbraw/zinc/56/54/99/971565499.db2.gz QSOIBOMONKXQLE-UHFFFAOYSA-N 1 0 404.942 3.511 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)CC1 ZINC000303258611 971584491 /nfs/dbraw/zinc/58/44/91/971584491.db2.gz HIBJWAWBQBBOQD-UHFFFAOYSA-N 1 0 411.506 3.515 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000537564246 1013100899 /nfs/dbraw/zinc/10/08/99/1013100899.db2.gz RLYWOQBSFSRNJI-IBGZPJMESA-N 1 0 400.486 3.552 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000303442284 971732593 /nfs/dbraw/zinc/73/25/93/971732593.db2.gz GAEXDKUYINNZOS-OAQYLSRUSA-N 1 0 404.558 3.756 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000303458207 971762156 /nfs/dbraw/zinc/76/21/56/971762156.db2.gz FGAJDWPKRGKRGG-LJQANCHMSA-N 1 0 413.587 3.638 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303468386 971770959 /nfs/dbraw/zinc/77/09/59/971770959.db2.gz MSXFOSMJFCYZGQ-SEJPIABJSA-N 1 0 418.541 3.520 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(OC)c1 ZINC000303634557 971914286 /nfs/dbraw/zinc/91/42/86/971914286.db2.gz GAGOFWBTGLJDOK-FQEVSTJZSA-N 1 0 415.505 3.846 20 30 HHEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)N2CCCCC2)cc1 ZINC000303774007 972019814 /nfs/dbraw/zinc/01/98/14/972019814.db2.gz FRZJHAVWNUYXEJ-FQEVSTJZSA-N 1 0 412.534 3.666 20 30 HHEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)N2CCCCC2)cc1 ZINC000303792109 972030874 /nfs/dbraw/zinc/03/08/74/972030874.db2.gz YCKJTFKVEINSON-NRFANRHFSA-N 1 0 412.534 3.666 20 30 HHEDRO Cc1cccc(NC(=[NH2+])NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000303869477 972410779 /nfs/dbraw/zinc/41/07/79/972410779.db2.gz AXWGFRTZNNGYOI-UHFFFAOYSA-N 1 0 418.520 3.783 20 30 HHEDRO COc1ccc(OC)c([C@H](O)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303871180 972413239 /nfs/dbraw/zinc/41/32/39/972413239.db2.gz BNNZZBUDWVDVQO-PIGZYNQJSA-N 1 0 412.317 3.710 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(Cl)cc1Cl ZINC000303873658 972415206 /nfs/dbraw/zinc/41/52/06/972415206.db2.gz CQQSJIYFUNFSAU-UONOGXRCSA-N 1 0 422.360 3.779 20 30 HHEDRO [NH2+]=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303880044 972420583 /nfs/dbraw/zinc/42/05/83/972420583.db2.gz JZHRLOJVSKWIRE-UHFFFAOYSA-N 1 0 422.451 3.721 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000303882026 972422736 /nfs/dbraw/zinc/42/27/36/972422736.db2.gz RESRDSDRHUYRAL-PMACEKPBSA-N 1 0 409.534 3.598 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCc2ccc(Oc3cccnc3)c(F)c2)cc1OC ZINC000303881633 972422856 /nfs/dbraw/zinc/42/28/56/972422856.db2.gz LAYSXTUQVISANF-UHFFFAOYSA-N 1 0 424.476 3.677 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)c(OC)c2)cc1OC ZINC000303882750 972423831 /nfs/dbraw/zinc/42/38/31/972423831.db2.gz IKOZHIOAUFDFTB-UHFFFAOYSA-N 1 0 413.396 3.580 20 30 HHEDRO COc1ccc(C2(CNC(=[NH2+])Nc3ccc(OC)c(Cl)c3)CCOCC2)cc1 ZINC000303882671 972423954 /nfs/dbraw/zinc/42/39/54/972423954.db2.gz LTOJJWPXHNXICK-UHFFFAOYSA-N 1 0 403.910 3.832 20 30 HHEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)cn2)n1 ZINC000303891693 972431676 /nfs/dbraw/zinc/43/16/76/972431676.db2.gz NGCYGUYLJVPFDT-UHFFFAOYSA-N 1 0 404.396 3.710 20 30 HHEDRO Cc1cccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 ZINC000303894808 972433531 /nfs/dbraw/zinc/43/35/31/972433531.db2.gz PBQMRUAZUOIBSH-DNVCBOLYSA-N 1 0 404.917 3.976 20 30 HHEDRO Cc1cccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 ZINC000303894812 972433670 /nfs/dbraw/zinc/43/36/70/972433670.db2.gz PBQMRUAZUOIBSH-KXBFYZLASA-N 1 0 404.917 3.976 20 30 HHEDRO [NH2+]=C(NCCc1ccccc1)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000303893879 972433746 /nfs/dbraw/zinc/43/37/46/972433746.db2.gz SDZXHWYTQDOVHA-UHFFFAOYSA-N 1 0 410.525 3.640 20 30 HHEDRO C[C@H](NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000303906467 972476822 /nfs/dbraw/zinc/47/68/22/972476822.db2.gz WCIWWYAHLSXBME-AWEZNQCLSA-N 1 0 407.345 3.996 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2OC)N2CCCCC2)cc1OC ZINC000303907183 972478246 /nfs/dbraw/zinc/47/82/46/972478246.db2.gz WQPVJPYPDHUBAS-LJQANCHMSA-N 1 0 412.534 3.666 20 30 HHEDRO COC(=O)c1cc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)ccc1OC ZINC000303910661 972482710 /nfs/dbraw/zinc/48/27/10/972482710.db2.gz ZBQPQGPDOWKDGZ-LLVKDONJSA-N 1 0 410.301 3.954 20 30 HHEDRO N#Cc1cccc(C2(NC(=O)NCCc3ccc(OCC[NH+]4CCCC4)cc3)CC2)c1 ZINC000553351468 1013293392 /nfs/dbraw/zinc/29/33/92/1013293392.db2.gz OFKQWIXWZNBPJQ-UHFFFAOYSA-N 1 0 418.541 3.564 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000553364103 1013303736 /nfs/dbraw/zinc/30/37/36/1013303736.db2.gz FBZDCXFAPGQZGU-QZTJIDSGSA-N 1 0 405.477 3.997 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000553397457 1013326588 /nfs/dbraw/zinc/32/65/88/1013326588.db2.gz RJCXUZXGXSUFSW-MDRMPYQZSA-N 1 0 409.574 3.628 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1OC ZINC000537776639 1013339272 /nfs/dbraw/zinc/33/92/72/1013339272.db2.gz LPQHJQCYUHWCJM-MRXNPFEDSA-N 1 0 402.441 3.823 20 30 HHEDRO C=CC[C@H]1N(C(=O)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CCCC1(C)C ZINC000553451770 1013364116 /nfs/dbraw/zinc/36/41/16/1013364116.db2.gz WAEBNGQYKLYICC-DENIHFKCSA-N 1 0 411.590 3.922 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000542421541 1013373420 /nfs/dbraw/zinc/37/34/20/1013373420.db2.gz LKFQXONIJRYOCH-UHFFFAOYSA-N 1 0 422.529 3.891 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000537846904 1013411962 /nfs/dbraw/zinc/41/19/62/1013411962.db2.gz PEJKZOSESTXXKG-UHFFFAOYSA-N 1 0 421.545 3.768 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1cccc(Br)c1)C(=S)NC1CC1 ZINC000022688269 963697133 /nfs/dbraw/zinc/69/71/33/963697133.db2.gz AKFQPMDDGKAPTB-UHFFFAOYSA-O 1 0 404.353 3.990 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691363 963697942 /nfs/dbraw/zinc/69/79/42/963697942.db2.gz WTAFEBGGASMNCW-KRWDZBQOSA-O 1 0 419.517 3.912 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691379 963698812 /nfs/dbraw/zinc/69/88/12/963698812.db2.gz VKLGHHLQVKCKKD-MRXNPFEDSA-O 1 0 405.490 3.522 20 30 HHEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(CO)c2)c1 ZINC000022730744 963704964 /nfs/dbraw/zinc/70/49/64/963704964.db2.gz VTIOPDFWZAQJAZ-UHFFFAOYSA-O 1 0 405.543 3.812 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(N(C)C)cc2)c(C)n1C ZINC000022730720 963704971 /nfs/dbraw/zinc/70/49/71/963704971.db2.gz JRRATRKBVUNIMN-UHFFFAOYSA-O 1 0 421.590 3.724 20 30 HHEDRO COCCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022793138 963717936 /nfs/dbraw/zinc/71/79/36/963717936.db2.gz QJNSBQUYAVCSAR-UHFFFAOYSA-O 1 0 414.595 3.512 20 30 HHEDRO COCCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc2c(c1)CCCC2 ZINC000022793251 963718062 /nfs/dbraw/zinc/71/80/62/963718062.db2.gz YLVZACKVFGNOKO-UHFFFAOYSA-O 1 0 411.591 3.953 20 30 HHEDRO COCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(C(C)(C)C)cc1 ZINC000022794086 963718587 /nfs/dbraw/zinc/71/85/87/963718587.db2.gz PBQWEHNGHCYQQT-UHFFFAOYSA-O 1 0 411.591 3.935 20 30 HHEDRO Cc1onc(CC(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c1C#N ZINC000553546763 1013442449 /nfs/dbraw/zinc/44/24/49/1013442449.db2.gz LAGMJKMJQMRHOD-NRFANRHFSA-N 1 0 408.546 3.589 20 30 HHEDRO CCOc1ccccc1OCCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023752830 963884605 /nfs/dbraw/zinc/88/46/05/963884605.db2.gz KJBNDFBTWWGCQT-UHFFFAOYSA-N 1 0 421.541 3.850 20 30 HHEDRO C[NH+](C)CC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C(C)(C)C ZINC000553581711 1013479674 /nfs/dbraw/zinc/47/96/74/1013479674.db2.gz UIYCCXCZMGXKCN-HXUWFJFHSA-N 1 0 404.530 3.617 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)CC1 ZINC000537911457 1013496762 /nfs/dbraw/zinc/49/67/62/1013496762.db2.gz NNHJZWZVDYPIKK-UHFFFAOYSA-N 1 0 417.382 3.989 20 30 HHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC000542554515 1013497296 /nfs/dbraw/zinc/49/72/96/1013497296.db2.gz LAVFGFOATKTKHN-UHFFFAOYSA-N 1 0 411.893 3.680 20 30 HHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)NCc3ccc(C#N)cc3)s2)cc1 ZINC000542569542 1013510506 /nfs/dbraw/zinc/51/05/06/1013510506.db2.gz OZAJWELHYFONSI-HNNXBMFYSA-N 1 0 420.538 3.966 20 30 HHEDRO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000026763754 964669271 /nfs/dbraw/zinc/66/92/71/964669271.db2.gz FCRJVQHVHRCCLL-FQEVSTJZSA-N 1 0 408.521 3.587 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc(OC(F)F)c3)CC2)cc1 ZINC000051718783 964677780 /nfs/dbraw/zinc/67/77/80/964677780.db2.gz REXPORQBLDDRPP-UHFFFAOYSA-N 1 0 414.456 3.577 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc(OC)c1OC ZINC000051778541 964696365 /nfs/dbraw/zinc/69/63/65/964696365.db2.gz QSHMTRHFWNBZJL-FQEVSTJZSA-N 1 0 415.509 3.674 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000027311390 964846203 /nfs/dbraw/zinc/84/62/03/964846203.db2.gz JQFNHMFRMMLVLK-UHFFFAOYSA-O 1 0 422.574 3.916 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccc2c(c1)CCCC2 ZINC000027311455 964846410 /nfs/dbraw/zinc/84/64/10/964846410.db2.gz XRGRTGABMOGLDL-UHFFFAOYSA-O 1 0 409.531 3.686 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1ccc(C#N)cc1 ZINC000056996979 965243928 /nfs/dbraw/zinc/24/39/28/965243928.db2.gz UTLWBGGHPZKZSA-UHFFFAOYSA-N 1 0 414.347 3.844 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057171691 965324272 /nfs/dbraw/zinc/32/42/72/965324272.db2.gz GTKXERFMJOFNCQ-HSZRJFAPSA-N 1 0 402.542 3.509 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029358783 965356837 /nfs/dbraw/zinc/35/68/37/965356837.db2.gz PHGREIZUABCYOB-UHFFFAOYSA-N 1 0 421.589 3.895 20 30 HHEDRO C[C@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCC12CCOCC2 ZINC000542656576 1013584693 /nfs/dbraw/zinc/58/46/93/1013584693.db2.gz SKHBMSPODIYLKA-JKSUJKDBSA-N 1 0 401.576 3.964 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc(Br)c2)CC1 ZINC000538017071 1013589372 /nfs/dbraw/zinc/58/93/72/1013589372.db2.gz VGKCHCYGJWNNAD-UHFFFAOYSA-N 1 0 416.157 3.982 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000058452104 965738358 /nfs/dbraw/zinc/73/83/58/965738358.db2.gz ODGKCKIRTXMGQF-UHFFFAOYSA-N 1 0 405.546 3.586 20 30 HHEDRO CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000058580499 965792767 /nfs/dbraw/zinc/79/27/67/965792767.db2.gz BVFUAAWRDRRBGQ-QFIPXVFZSA-N 1 0 407.558 3.808 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000055752010 966047844 /nfs/dbraw/zinc/04/78/44/966047844.db2.gz CXBZHNSRVKJETP-AVRDEDQJSA-N 1 0 407.514 3.678 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000060532073 966193692 /nfs/dbraw/zinc/19/36/92/966193692.db2.gz YXOSLXGURYRWSN-HXUWFJFHSA-N 1 0 412.559 3.615 20 30 HHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCc1ccc(C#N)cc1)C1CCCCC1 ZINC000041558067 966595256 /nfs/dbraw/zinc/59/52/56/966595256.db2.gz XVEPTKQZYGDGMF-UHFFFAOYSA-N 1 0 404.514 3.578 20 30 HHEDRO C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643708 966819198 /nfs/dbraw/zinc/81/91/98/966819198.db2.gz ZDGURVYQGIEHCB-MRXNPFEDSA-N 1 0 414.912 3.886 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000063330766 966822229 /nfs/dbraw/zinc/82/22/29/966822229.db2.gz HQACWUAAEMVOAV-GOSISDBHSA-N 1 0 406.530 3.839 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000042838771 966855295 /nfs/dbraw/zinc/85/52/95/966855295.db2.gz XVCVMKKNINKAMU-UHFFFAOYSA-N 1 0 418.463 3.893 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000538129921 1013691773 /nfs/dbraw/zinc/69/17/73/1013691773.db2.gz WTHKVCHIRMZWPB-IRXDYDNUSA-N 1 0 408.502 3.640 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1C(F)(F)F ZINC000538131776 1013693458 /nfs/dbraw/zinc/69/34/58/1013693458.db2.gz PVUUWPWZHDCKBB-INIZCTEOSA-N 1 0 421.444 3.750 20 30 HHEDRO C[C@H]1CCC[C@](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)([NH+](C)C)C1 ZINC000553947363 1013716968 /nfs/dbraw/zinc/71/69/68/1013716968.db2.gz YCHABFUKVDMSON-SBUREZEXSA-N 1 0 416.541 3.761 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1coc(-c2cccs2)n1 ZINC000045345217 967430286 /nfs/dbraw/zinc/43/02/86/967430286.db2.gz LJJOWYYGQSGHOS-UHFFFAOYSA-N 1 0 409.515 3.548 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000538179610 1013738239 /nfs/dbraw/zinc/73/82/39/1013738239.db2.gz OHPWZNWFHRHMKX-OAHLLOKOSA-N 1 0 421.457 3.815 20 30 HHEDRO CCOCc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000046177908 967692490 /nfs/dbraw/zinc/69/24/90/967692490.db2.gz ZCFIFSCLSGBJTR-UHFFFAOYSA-N 1 0 406.530 3.512 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl ZINC000046561146 967859301 /nfs/dbraw/zinc/85/93/01/967859301.db2.gz NEQCWXPKARTQDQ-UHFFFAOYSA-N 1 0 410.905 3.891 20 30 HHEDRO C=CCOc1ccc(C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1OC ZINC000046939324 968014449 /nfs/dbraw/zinc/01/44/49/968014449.db2.gz IMWUMONWNDWXKP-UHFFFAOYSA-N 1 0 409.530 3.650 20 30 HHEDRO COc1ccc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000047234325 968097822 /nfs/dbraw/zinc/09/78/22/968097822.db2.gz FYBMGWYQRHARIY-UHFFFAOYSA-N 1 0 416.319 3.533 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047287136 968122763 /nfs/dbraw/zinc/12/27/63/968122763.db2.gz NGEPYZUMIOTQIT-UHFFFAOYSA-N 1 0 408.483 3.885 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1C#N ZINC000047405655 968178556 /nfs/dbraw/zinc/17/85/56/968178556.db2.gz SJNQRRWIYOFFCC-QGZVFWFLSA-N 1 0 410.493 3.544 20 30 HHEDRO CCC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000047740196 968293799 /nfs/dbraw/zinc/29/37/99/968293799.db2.gz FXMXOFMGLZABEB-QFIPXVFZSA-N 1 0 419.525 3.905 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[NH+](C4CCCC4)CC3)c2)c1 ZINC000048125849 968442484 /nfs/dbraw/zinc/44/24/84/968442484.db2.gz CIEXCKMCZFQXHF-UHFFFAOYSA-N 1 0 417.513 3.903 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000065931275 968721436 /nfs/dbraw/zinc/72/14/36/968721436.db2.gz XPCWVABNQUDHJN-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000065931268 968721534 /nfs/dbraw/zinc/72/15/34/968721534.db2.gz WDPNUKIPHWBEFS-UHFFFAOYSA-N 1 0 404.539 3.815 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000072071855 968972006 /nfs/dbraw/zinc/97/20/06/968972006.db2.gz GDLPRMZFPFITPV-UHFFFAOYSA-N 1 0 403.526 3.600 20 30 HHEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000078994493 969026966 /nfs/dbraw/zinc/02/69/66/969026966.db2.gz JWMBDNIQLMRERL-GOSISDBHSA-N 1 0 423.488 3.674 20 30 HHEDRO C[C@@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000097571495 969166107 /nfs/dbraw/zinc/16/61/07/969166107.db2.gz IJWPJRVIYXQRSQ-RTBURBONSA-N 1 0 420.557 3.676 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000107578950 969317070 /nfs/dbraw/zinc/31/70/70/969317070.db2.gz DCGJSBFTMDYHIR-SFHVURJKSA-N 1 0 413.543 3.741 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c1C#N ZINC000111054514 969768444 /nfs/dbraw/zinc/76/84/44/969768444.db2.gz QLARXIOJZYAIBO-UHFFFAOYSA-N 1 0 411.525 3.506 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000195660519 969939121 /nfs/dbraw/zinc/93/91/21/969939121.db2.gz TVBMOPYQHZJCIY-ZEQRLZLVSA-N 1 0 420.557 3.799 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000195661862 969940331 /nfs/dbraw/zinc/94/03/31/969940331.db2.gz PLQCIDXPABQQMR-HXUWFJFHSA-N 1 0 411.546 3.959 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Sc2ccccc2S(=O)(=O)CCC)CC1 ZINC000216989979 970081985 /nfs/dbraw/zinc/08/19/85/970081985.db2.gz RRJZVPJJEJOSFA-KRWDZBQOSA-N 1 0 424.632 3.508 20 30 HHEDRO CC(C)(C[NH2+]Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000236735461 970166221 /nfs/dbraw/zinc/16/62/21/970166221.db2.gz IRTJFULOVYHVIQ-UHFFFAOYSA-N 1 0 407.333 3.663 20 30 HHEDRO COc1ccc(CNc2cccc(CN3CC[NH+](C)CC3)c2)cc1OCCCC#N ZINC000237410068 970280531 /nfs/dbraw/zinc/28/05/31/970280531.db2.gz WEMDPEZWVIPPLX-UHFFFAOYSA-N 1 0 408.546 3.737 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(c4ncc(C(F)(F)F)cc4Cl)C3)n2c1 ZINC000237762349 970358540 /nfs/dbraw/zinc/35/85/40/970358540.db2.gz AYAKWHLXBKEXFM-AWEZNQCLSA-N 1 0 420.826 3.642 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCc2nnc3n2CCCCC3)c(-c2ccccc2)n1 ZINC000237829847 970376183 /nfs/dbraw/zinc/37/61/83/970376183.db2.gz ILLIJIMBFUVDOJ-UHFFFAOYSA-N 1 0 403.534 3.504 20 30 HHEDRO CCNC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000185571733 970493360 /nfs/dbraw/zinc/49/33/60/970493360.db2.gz MCJRDFUHLRDYTF-UHFFFAOYSA-O 1 0 400.527 3.985 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000195539208 970500794 /nfs/dbraw/zinc/50/07/94/970500794.db2.gz BVMNVDIMRNWYEE-QGZVFWFLSA-N 1 0 423.395 3.900 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C#N)c(C)c1C ZINC000248027691 970500902 /nfs/dbraw/zinc/50/09/02/970500902.db2.gz SNLBSUSCPAKOAS-IBGZPJMESA-N 1 0 400.523 3.529 20 30 HHEDRO COc1ccccc1N1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303968010 972555936 /nfs/dbraw/zinc/55/59/36/972555936.db2.gz AALNBRCRYTXJFF-CQSZACIVSA-N 1 0 408.424 3.847 20 30 HHEDRO COc1cccc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000303973427 972560004 /nfs/dbraw/zinc/56/00/04/972560004.db2.gz GVOYDTJEAUOWOH-UHFFFAOYSA-N 1 0 405.296 3.522 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000303986716 972569394 /nfs/dbraw/zinc/56/93/94/972569394.db2.gz URXIJPNJMCHVOO-LJQANCHMSA-N 1 0 400.523 3.949 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000303988015 972569557 /nfs/dbraw/zinc/56/95/57/972569557.db2.gz WBSNPXZJIQULDI-IBGZPJMESA-N 1 0 422.451 3.514 20 30 HHEDRO CCOc1ccc(C2(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)CCOCC2)cc1 ZINC000304485835 972601597 /nfs/dbraw/zinc/60/15/97/972601597.db2.gz JYNXWQNVZRSLCG-OAQYLSRUSA-N 1 0 409.530 3.562 20 30 HHEDRO COc1ccc([C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)N2CCCCC2)cc1 ZINC000304515194 972602512 /nfs/dbraw/zinc/60/25/12/972602512.db2.gz YOYZGJNKRVAZRU-YADHBBJMSA-N 1 0 408.546 3.650 20 30 HHEDRO C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Oc1ccccc1Br ZINC000304685289 972602819 /nfs/dbraw/zinc/60/28/19/972602819.db2.gz FXQVQBIVDWALSA-CZUORRHYSA-N 1 0 404.308 3.645 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2Oc2ccc(C)cc2)CC1 ZINC000304755583 972604292 /nfs/dbraw/zinc/60/42/92/972604292.db2.gz MWSFECKTOYBLKJ-UHFFFAOYSA-N 1 0 410.518 3.813 20 30 HHEDRO [NH2+]=C(NCC1(c2ccccc2Br)CC1)N[C@@H]1CCOc2ccccc21 ZINC000304760131 972605453 /nfs/dbraw/zinc/60/54/53/972605453.db2.gz RYIIRICQGMFSEU-QGZVFWFLSA-N 1 0 400.320 3.909 20 30 HHEDRO COc1ccc(-n2cc(CNC(=[NH2+])N[C@@H](C)c3ccc(Cl)cc3Cl)nn2)cc1 ZINC000304961508 972608055 /nfs/dbraw/zinc/60/80/55/972608055.db2.gz ZHEQPPKSELCQAJ-LBPRGKRZSA-N 1 0 419.316 3.748 20 30 HHEDRO [NH2+]=C(NCc1csc(-c2ccco2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000305055190 972608542 /nfs/dbraw/zinc/60/85/42/972608542.db2.gz GNXRPBXBUJUKCV-UHFFFAOYSA-N 1 0 401.923 3.693 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2OC[C@H]2CCOC2)cc1Cl ZINC000304938175 972608578 /nfs/dbraw/zinc/60/85/78/972608578.db2.gz LCFALXONPZAMCU-HNNXBMFYSA-N 1 0 403.910 3.999 20 30 HHEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCN(c2ccccc2)CC1 ZINC000305212120 972610018 /nfs/dbraw/zinc/61/00/18/972610018.db2.gz HHXQARAWWOMGSR-INIZCTEOSA-N 1 0 421.467 3.523 20 30 HHEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)C2)c1 ZINC000305206520 972610354 /nfs/dbraw/zinc/61/03/54/972610354.db2.gz GISDTUWHKNFYQP-AWEZNQCLSA-N 1 0 408.424 3.847 20 30 HHEDRO COc1ccc(-n2ccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)n2)cc1 ZINC000305268310 972611578 /nfs/dbraw/zinc/61/15/78/972611578.db2.gz ZILUYPFXHMECMP-UHFFFAOYSA-N 1 0 405.380 3.706 20 30 HHEDRO [NH2+]=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)NCCc1cccs1 ZINC000305443662 972613434 /nfs/dbraw/zinc/61/34/34/972613434.db2.gz ODYWULXJKDGRDD-UHFFFAOYSA-N 1 0 406.861 3.731 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCCCc2ccc(Br)cc2OC)cc1OC ZINC000305833190 972614699 /nfs/dbraw/zinc/61/46/99/972614699.db2.gz VKKDHAXJVNLHKW-UHFFFAOYSA-N 1 0 422.323 3.834 20 30 HHEDRO C[NH+](C)CCOc1cccc(-c2noc([C@H]3CCN(c4ccc(C#N)cc4F)C3)n2)c1 ZINC000554808418 1014053213 /nfs/dbraw/zinc/05/32/13/1014053213.db2.gz JDNHGQVJLMFNOK-SFHVURJKSA-N 1 0 421.476 3.682 20 30 HHEDRO C=CC[N@H+](Cc1ccc(O)c2nc(C)ccc12)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000554820293 1014058589 /nfs/dbraw/zinc/05/85/89/1014058589.db2.gz QLIXLDCKLVSQLD-KRWDZBQOSA-N 1 0 400.486 3.974 20 30 HHEDRO N#Cc1ccc(Br)cc1N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000404215811 972882792 /nfs/dbraw/zinc/88/27/92/972882792.db2.gz XJBDIFWHOCQZFH-LEWJYISDSA-N 1 0 412.331 3.800 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C#N)cc1 ZINC000554840663 1014069861 /nfs/dbraw/zinc/06/98/61/1014069861.db2.gz ATUKDLHJQRSXHA-CYBMUJFWSA-N 1 0 407.455 3.879 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)CC1 ZINC000409629268 973075672 /nfs/dbraw/zinc/07/56/72/973075672.db2.gz YZXUNILKJRSUQA-UHFFFAOYSA-N 1 0 413.525 3.906 20 30 HHEDRO COc1cccc([C@H]2[C@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CC[N@@H+]2C2CC2)c1 ZINC000409735626 973210654 /nfs/dbraw/zinc/21/06/54/973210654.db2.gz YLWHCKPXDSSGRU-XLIONFOSSA-N 1 0 402.420 4.371 20 30 HHEDRO COc1cccc([C@@H]2[C@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CC[N@@H+]2C2CC2)c1 ZINC000409735627 973210851 /nfs/dbraw/zinc/21/08/51/973210851.db2.gz YLWHCKPXDSSGRU-YLJYHZDGSA-N 1 0 402.420 4.371 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000425918000 974030571 /nfs/dbraw/zinc/03/05/71/974030571.db2.gz HNSWXVVDEUIAMH-ZWKOTPCHSA-N 1 0 420.513 3.526 20 30 HHEDRO C=C[C@H]1CCCCN1C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000426058644 974179956 /nfs/dbraw/zinc/17/99/56/974179956.db2.gz FFCDOFQQGJEHJK-SFHVURJKSA-N 1 0 410.484 3.707 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000426111171 974234402 /nfs/dbraw/zinc/23/44/02/974234402.db2.gz HUTAKLDZBNRQDY-NFBKMPQASA-N 1 0 409.530 3.646 20 30 HHEDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C1CCCCC1 ZINC000426495479 974487562 /nfs/dbraw/zinc/48/75/62/974487562.db2.gz GSFJGTZISBEYGP-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO COC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000426610703 974561808 /nfs/dbraw/zinc/56/18/08/974561808.db2.gz FVVUVWQUVWYGRG-NRFANRHFSA-N 1 0 414.937 3.673 20 30 HHEDRO CN(C(=O)c1cnn(CCC#N)c1-c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000428526503 975818645 /nfs/dbraw/zinc/81/86/45/975818645.db2.gz IVTYNWOEOSTSLA-JOCHJYFZSA-N 1 0 413.525 3.810 20 30 HHEDRO Cn1cc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000428547524 975854717 /nfs/dbraw/zinc/85/47/17/975854717.db2.gz PGCGEHOCDXRLCM-HSZRJFAPSA-N 1 0 417.582 3.666 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)nc1 ZINC000428809911 976088999 /nfs/dbraw/zinc/08/89/99/976088999.db2.gz WZZDNXGIMWWUTM-PMACEKPBSA-N 1 0 412.493 3.575 20 30 HHEDRO N#CCC[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963124 976251618 /nfs/dbraw/zinc/25/16/18/976251618.db2.gz CBYNAJORJONLNJ-DHIUTWEWSA-N 1 0 406.530 3.622 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429004969 976285435 /nfs/dbraw/zinc/28/54/35/976285435.db2.gz LUECHHJWJJKSHE-SOAMZJECSA-N 1 0 400.592 3.681 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000429046106 976331702 /nfs/dbraw/zinc/33/17/02/976331702.db2.gz LVLURAHAUMPFMN-GOSISDBHSA-N 1 0 406.486 3.537 20 30 HHEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000429046108 976331881 /nfs/dbraw/zinc/33/18/81/976331881.db2.gz LVLURAHAUMPFMN-SFHVURJKSA-N 1 0 406.486 3.537 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000429046507 976332482 /nfs/dbraw/zinc/33/24/82/976332482.db2.gz NOWCJMUBEPBVGJ-FQEVSTJZSA-N 1 0 407.518 3.870 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429047571 976333734 /nfs/dbraw/zinc/33/37/34/976333734.db2.gz XLCVNDVWIMDYBJ-OAQYLSRUSA-N 1 0 422.529 3.758 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H](C4CCC4)C3)sc2C1 ZINC000429228036 976520645 /nfs/dbraw/zinc/52/06/45/976520645.db2.gz QFXXLTITLPTIFV-NVXWUHKLSA-N 1 0 401.576 3.822 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1C#N ZINC000429362068 976630011 /nfs/dbraw/zinc/63/00/11/976630011.db2.gz ADUOIJYNHPSJMH-QGZVFWFLSA-N 1 0 411.594 3.836 20 30 HHEDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000429386606 976660568 /nfs/dbraw/zinc/66/05/68/976660568.db2.gz WYXOYYDHAMQOHT-HXUWFJFHSA-N 1 0 412.331 3.850 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429595045 976872828 /nfs/dbraw/zinc/87/28/28/976872828.db2.gz UHCZAASVYWSXER-OALUTQOASA-N 1 0 407.562 3.950 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000429662030 976961097 /nfs/dbraw/zinc/96/10/97/976961097.db2.gz QISLNQNUDZPBKD-UHFFFAOYSA-N 1 0 412.328 3.628 20 30 HHEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430171726 977367837 /nfs/dbraw/zinc/36/78/37/977367837.db2.gz OYRQFIRBQJOQNG-SFHVURJKSA-N 1 0 409.440 3.687 20 30 HHEDRO C=CCOc1ccc(C[N@H+](Cc2cncs2)C2CCN(C(C)=O)CC2)cc1OC ZINC000430194615 977384292 /nfs/dbraw/zinc/38/42/92/977384292.db2.gz VSXHMPDESHUPRS-UHFFFAOYSA-N 1 0 415.559 3.730 20 30 HHEDRO C=CCc1cc(C[N@H+](Cc2cncs2)C2CCN(C(C)=O)CC2)cc(OC)c1O ZINC000430198042 977387175 /nfs/dbraw/zinc/38/71/75/977387175.db2.gz QHHJMKBGUBORSA-UHFFFAOYSA-N 1 0 415.559 3.599 20 30 HHEDRO C=CCN1C(=O)N([C@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000430931382 977895837 /nfs/dbraw/zinc/89/58/37/977895837.db2.gz COCUOFFVHSFZDA-XZOQPEGZSA-N 1 0 403.526 3.713 20 30 HHEDRO C=CCN1C(=O)N(C[C@H](c2ccccc2)[NH+]2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430949320 977908848 /nfs/dbraw/zinc/90/88/48/977908848.db2.gz CCOIEPRHZIQKKN-XZOQPEGZSA-N 1 0 403.526 3.885 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431071399 978002816 /nfs/dbraw/zinc/00/28/16/978002816.db2.gz PHEPFJZLISAPQV-DNQXCXABSA-N 1 0 417.553 3.613 20 30 HHEDRO C=CCN1C(=O)N(C[C@H](c2ccc(C)o2)[NH+]2CCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431133106 978039662 /nfs/dbraw/zinc/03/96/62/978039662.db2.gz RKCBSPDJMPBQFN-LEWJYISDSA-N 1 0 407.514 3.786 20 30 HHEDRO C=CCN1C(=O)N(C[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431133108 978039680 /nfs/dbraw/zinc/03/96/80/978039680.db2.gz RKCBSPDJMPBQFN-RTWAWAEBSA-N 1 0 407.514 3.786 20 30 HHEDRO C=CCN1C(=O)N(CC2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431162672 978063721 /nfs/dbraw/zinc/06/37/21/978063721.db2.gz UKTYJZOSDNYQDL-DEOSSOPVSA-N 1 0 417.553 3.960 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C(=O)[C@@H]1Cc1ccccc1 ZINC000431266028 978151885 /nfs/dbraw/zinc/15/18/85/978151885.db2.gz YONCEEHYOZTOJZ-HUVFLSCGSA-N 1 0 417.553 3.959 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000431399569 978274026 /nfs/dbraw/zinc/27/40/26/978274026.db2.gz AAFAFJQGOXYCNR-GCJKJVERSA-N 1 0 406.530 3.777 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(C(F)(F)F)ccc1Br ZINC000431937793 978610398 /nfs/dbraw/zinc/61/03/98/978610398.db2.gz MDYROSSBILTCJF-UHFFFAOYSA-N 1 0 406.246 3.775 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432085657 978674527 /nfs/dbraw/zinc/67/45/27/978674527.db2.gz RGANFWVFEALONR-QGZVFWFLSA-N 1 0 406.368 3.674 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)[NH+]2CCCC2)o1 ZINC000432491988 978845749 /nfs/dbraw/zinc/84/57/49/978845749.db2.gz HQZQSNNUDRBUTM-FQEVSTJZSA-N 1 0 408.502 3.522 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000432571979 978894293 /nfs/dbraw/zinc/89/42/93/978894293.db2.gz IMTWHAARJHMYBY-QFIPXVFZSA-N 1 0 404.514 3.620 20 30 HHEDRO CC(C)(C)OC1CC(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000433045436 979050682 /nfs/dbraw/zinc/05/06/82/979050682.db2.gz QPTGZKZLTHWPLR-UHFFFAOYSA-N 1 0 412.578 3.759 20 30 HHEDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433066139 979056854 /nfs/dbraw/zinc/05/68/54/979056854.db2.gz GCLSOQWCOMNVEN-SFTDATJTSA-N 1 0 404.470 3.580 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)c(-c2ccncc2)n1 ZINC000433315375 979231038 /nfs/dbraw/zinc/23/10/38/979231038.db2.gz XZCPYSYGSHUZBD-UHFFFAOYSA-N 1 0 414.513 3.887 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccncc2)n1 ZINC000433322095 979235591 /nfs/dbraw/zinc/23/55/91/979235591.db2.gz PMUMOEMOBUCLMQ-UHFFFAOYSA-N 1 0 410.865 3.753 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H](C#N)CCc2ccccc2)CC1 ZINC000433346953 979253066 /nfs/dbraw/zinc/25/30/66/979253066.db2.gz JIBNECBPEHGMCO-PZJWPPBQSA-N 1 0 422.548 3.917 20 30 HHEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3cccc(Br)c3)CCCC2)C(N)=O)cc1 ZINC000433451868 979312836 /nfs/dbraw/zinc/31/28/36/979312836.db2.gz DOIYMIOOLHCJJQ-LJQANCHMSA-N 1 0 412.331 3.949 20 30 HHEDRO CC[N@H+](CCNC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)CCC(F)(F)F ZINC000433621714 979431770 /nfs/dbraw/zinc/43/17/70/979431770.db2.gz LOYMXGAOXUIOHU-CYBMUJFWSA-N 1 0 403.342 3.845 20 30 HHEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH2+][C@@H](C)c1ccccc1 ZINC000433887441 979651859 /nfs/dbraw/zinc/65/18/59/979651859.db2.gz HWOBXUYGULDABJ-LPHOPBHVSA-N 1 0 410.493 3.518 20 30 HHEDRO CC[NH+](CC)CCSCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000434801132 980406829 /nfs/dbraw/zinc/40/68/29/980406829.db2.gz GFXUSDBHDBOWTE-UHFFFAOYSA-N 1 0 414.575 3.988 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000434883222 980467460 /nfs/dbraw/zinc/46/74/60/980467460.db2.gz MHUSDVZNTKUXDJ-LSDHHAIUSA-N 1 0 411.449 3.653 20 30 HHEDRO N#Cc1cccc(C2(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000435000882 980561208 /nfs/dbraw/zinc/56/12/08/980561208.db2.gz PZPFWJWVSVJNKK-UHFFFAOYSA-N 1 0 422.960 3.572 20 30 HHEDRO C[N@H+](CCc1ccc(Br)cc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000435053932 980598891 /nfs/dbraw/zinc/59/88/91/980598891.db2.gz YFHMIVLYZHAFLB-INIZCTEOSA-N 1 0 404.333 3.662 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000435161293 980689442 /nfs/dbraw/zinc/68/94/42/980689442.db2.gz RFAQSPRDUBQCSH-HNNXBMFYSA-N 1 0 413.472 3.861 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000435161294 980689485 /nfs/dbraw/zinc/68/94/85/980689485.db2.gz RFAQSPRDUBQCSH-OAHLLOKOSA-N 1 0 413.472 3.861 20 30 HHEDRO N#CCCCn1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c2ccccc21 ZINC000435357654 980808202 /nfs/dbraw/zinc/80/82/02/980808202.db2.gz WQJSYCLBBDKMGT-UHFFFAOYSA-N 1 0 408.546 3.710 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)C2(c3cccc(C#N)c3)CC2)CCOCC1)c1ccccc1 ZINC000435472182 980885679 /nfs/dbraw/zinc/88/56/79/980885679.db2.gz JYCNAAGVHVIGFQ-IBGZPJMESA-N 1 0 403.526 3.606 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435524940 980919106 /nfs/dbraw/zinc/91/91/06/980919106.db2.gz HJFAUBCLQMCSDR-GOTSBHOMSA-N 1 0 424.589 3.750 20 30 HHEDRO N#Cc1cccc(C2(C(=O)NC3CC[NH+](CCOc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000435588787 980951287 /nfs/dbraw/zinc/95/12/87/980951287.db2.gz OLYYHCKZPODCRL-UHFFFAOYSA-N 1 0 423.944 3.903 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000435825629 981047487 /nfs/dbraw/zinc/04/74/87/981047487.db2.gz LOKMLTHCHAZBCH-UHFFFAOYSA-N 1 0 404.489 3.735 20 30 HHEDRO C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000435925912 981096350 /nfs/dbraw/zinc/09/63/50/981096350.db2.gz HIYFOJSGOICOMA-AZUAARDMSA-N 1 0 408.521 3.527 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cc(C#N)oc2C)cc1Cl ZINC000436179232 981237758 /nfs/dbraw/zinc/23/77/58/981237758.db2.gz VFNURSWLZZKKPV-UHFFFAOYSA-N 1 0 416.909 3.827 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000448298553 981683440 /nfs/dbraw/zinc/68/34/40/981683440.db2.gz RZIKELDRNDQILX-UHFFFAOYSA-N 1 0 408.428 3.590 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000437009895 981684827 /nfs/dbraw/zinc/68/48/27/981684827.db2.gz MWUZDPZKAUPZCO-PKTZIBPZSA-N 1 0 418.541 3.765 20 30 HHEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437080559 981750208 /nfs/dbraw/zinc/75/02/08/981750208.db2.gz VNVLQMPJAAHZPS-FVWXCPNNSA-N 1 0 423.473 3.558 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448463935 981798088 /nfs/dbraw/zinc/79/80/88/981798088.db2.gz DXXFUXXBOMAXAI-FXAWDEMLSA-N 1 0 405.464 3.715 20 30 HHEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460296735 982073658 /nfs/dbraw/zinc/07/36/58/982073658.db2.gz OQEJGFZCIXVFLB-UHFFFAOYSA-N 1 0 400.530 3.937 20 30 HHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460375714 982153125 /nfs/dbraw/zinc/15/31/25/982153125.db2.gz QJUDEGMOVFZXAC-IBGZPJMESA-N 1 0 410.522 3.884 20 30 HHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460385949 982164309 /nfs/dbraw/zinc/16/43/09/982164309.db2.gz JGXVYWPXHRPBHW-UHFFFAOYSA-N 1 0 408.525 3.711 20 30 HHEDRO C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000437615602 982235365 /nfs/dbraw/zinc/23/53/65/982235365.db2.gz RWAWWAJPCSQQEA-AREMUKBSSA-N 1 0 421.585 3.854 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460543350 982330358 /nfs/dbraw/zinc/33/03/58/982330358.db2.gz IKJBJMGXRURKLR-OALUTQOASA-N 1 0 411.550 3.505 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000437744521 982332817 /nfs/dbraw/zinc/33/28/17/982332817.db2.gz DIQVJVXPFIABSL-WIYYLYMNSA-N 1 0 405.970 3.832 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000437748526 982334650 /nfs/dbraw/zinc/33/46/50/982334650.db2.gz QRNGQXFAUKIIOE-OIBXWCBGSA-N 1 0 405.498 3.674 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460555321 982341658 /nfs/dbraw/zinc/34/16/58/982341658.db2.gz SYXDMJACKFFISJ-RTBURBONSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460564637 982349487 /nfs/dbraw/zinc/34/94/87/982349487.db2.gz XJLSAISAJNUTNT-SIKLNZKXSA-N 1 0 411.594 3.815 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)CC2)cc1 ZINC000437897092 982446574 /nfs/dbraw/zinc/44/65/74/982446574.db2.gz NKTHYIDYTHYRDE-WIYYLYMNSA-N 1 0 410.468 3.610 20 30 HHEDRO CN(Cc1ccc(C#N)cc1OC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000437900322 982448912 /nfs/dbraw/zinc/44/89/12/982448912.db2.gz YLZXHEANRJELRD-UHFFFAOYSA-N 1 0 400.473 3.694 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460765293 982519136 /nfs/dbraw/zinc/51/91/36/982519136.db2.gz BLCXNAXWPKKPSK-UHFFFAOYSA-N 1 0 416.573 3.941 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460780046 982532933 /nfs/dbraw/zinc/53/29/33/982532933.db2.gz BTODOKSIPMXOGG-FYQPLNBISA-N 1 0 401.599 3.836 20 30 HHEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460783056 982535548 /nfs/dbraw/zinc/53/55/48/982535548.db2.gz CYLYMDFDKQIENG-GOSISDBHSA-N 1 0 413.591 3.828 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460801740 982554633 /nfs/dbraw/zinc/55/46/33/982554633.db2.gz YJMWDNGYLCITRW-RTBURBONSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460806084 982559445 /nfs/dbraw/zinc/55/94/45/982559445.db2.gz OHRKYIBHNAJQJV-ZWKOTPCHSA-N 1 0 401.530 3.881 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000438067803 982567421 /nfs/dbraw/zinc/56/74/21/982567421.db2.gz WVETYIRELNXTKP-UHFFFAOYSA-N 1 0 421.545 3.840 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460936687 982674719 /nfs/dbraw/zinc/67/47/19/982674719.db2.gz MLGIWIIGPSBQDQ-GOEBONIOSA-N 1 0 419.371 3.675 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460948410 982683553 /nfs/dbraw/zinc/68/35/53/982683553.db2.gz VYTZRLZOFGDYFV-UHFFFAOYSA-N 1 0 411.594 3.959 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000438474053 982824332 /nfs/dbraw/zinc/82/43/32/982824332.db2.gz GGYAPYSULDVNKU-UHFFFAOYSA-N 1 0 417.412 3.763 20 30 HHEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 ZINC000461145134 982850816 /nfs/dbraw/zinc/85/08/16/982850816.db2.gz FIEJRBGZMPAIHB-UGKGYDQZSA-N 1 0 422.577 3.555 20 30 HHEDRO N#Cc1cccnc1OC1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000438629535 982949300 /nfs/dbraw/zinc/94/93/00/982949300.db2.gz NQSTXQGRMNBBNW-UHFFFAOYSA-N 1 0 418.541 3.672 20 30 HHEDRO CN1CCC(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000438638874 982957999 /nfs/dbraw/zinc/95/79/99/982957999.db2.gz ZKDDYDADRSQVCM-UHFFFAOYSA-N 1 0 423.483 3.649 20 30 HHEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000438643202 982961591 /nfs/dbraw/zinc/96/15/91/982961591.db2.gz DPTDKUUFOONMKJ-HUUCEWRRSA-N 1 0 424.467 3.930 20 30 HHEDRO N#CCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000438832956 983102930 /nfs/dbraw/zinc/10/29/30/983102930.db2.gz DFRJIOGOMSSKBA-QHCPKHFHSA-N 1 0 401.514 3.821 20 30 HHEDRO N#Cc1ccc(CSCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461441996 983106831 /nfs/dbraw/zinc/10/68/31/983106831.db2.gz CXUSPUYUUWVLFS-PKTZIBPZSA-N 1 0 405.567 3.772 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461449102 983114025 /nfs/dbraw/zinc/11/40/25/983114025.db2.gz PTIFSPZDVFYOGA-LEWJYISDSA-N 1 0 406.526 3.854 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1C ZINC000461497561 983149039 /nfs/dbraw/zinc/14/90/39/983149039.db2.gz PYWADARHGYRGHS-DLBZAZTESA-N 1 0 406.559 3.845 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](OCc3ccncc3)C1)CCCC2 ZINC000439007670 983206284 /nfs/dbraw/zinc/20/62/84/983206284.db2.gz VBWCVDRLARTUPO-KRWDZBQOSA-N 1 0 410.543 3.513 20 30 HHEDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000439016966 983211964 /nfs/dbraw/zinc/21/19/64/983211964.db2.gz GDZXIHCUPCJPTR-LJQANCHMSA-N 1 0 418.541 3.646 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3cccc(Br)c3)CC2)cc1 ZINC000439321124 983364072 /nfs/dbraw/zinc/36/40/72/983364072.db2.gz RLLHVPUVDKCHIK-UHFFFAOYSA-N 1 0 412.331 3.817 20 30 HHEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)CCOCC2)cc1 ZINC000439579315 983459254 /nfs/dbraw/zinc/45/92/54/983459254.db2.gz ZPKLABPGLWHRFF-FQEVSTJZSA-N 1 0 421.541 3.668 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000439725269 983516142 /nfs/dbraw/zinc/51/61/42/983516142.db2.gz CBVGRCJXSYXOBW-QFIPXVFZSA-N 1 0 418.541 3.820 20 30 HHEDRO N#Cc1c(Br)cccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000439961846 983596487 /nfs/dbraw/zinc/59/64/87/983596487.db2.gz ONBZGEHMINLYBT-UHFFFAOYSA-N 1 0 400.320 3.890 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000439993560 983609391 /nfs/dbraw/zinc/60/93/91/983609391.db2.gz GPDXGQZRPOWEQE-UHFFFAOYSA-N 1 0 413.610 3.705 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000440040911 983622582 /nfs/dbraw/zinc/62/25/82/983622582.db2.gz XVJVWQBFLCMFHA-UZLBHIALSA-N 1 0 424.932 3.662 20 30 HHEDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000440049387 983625459 /nfs/dbraw/zinc/62/54/59/983625459.db2.gz IUWPHGLNNDXPFZ-QFBILLFUSA-N 1 0 424.932 3.662 20 30 HHEDRO CC[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Oc1cccc(F)c1 ZINC000440195003 983678302 /nfs/dbraw/zinc/67/83/02/983678302.db2.gz QXNJBIMXZKESGH-JOCHJYFZSA-N 1 0 424.520 3.772 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000440247067 983695893 /nfs/dbraw/zinc/69/58/93/983695893.db2.gz XFGIKBWPIBXXGJ-UHFFFAOYSA-N 1 0 413.525 3.894 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440486503 983774081 /nfs/dbraw/zinc/77/40/81/983774081.db2.gz YROVXXYYZNNQOV-GAJHUEQPSA-N 1 0 409.555 3.833 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441204548 984113914 /nfs/dbraw/zinc/11/39/14/984113914.db2.gz NIYYDRDEBAPDRC-PMACEKPBSA-N 1 0 424.545 3.695 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396162 984228575 /nfs/dbraw/zinc/22/85/75/984228575.db2.gz UDLKWAYNHSIEQF-OXJNMPFZSA-N 1 0 412.603 3.776 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000441420269 984241498 /nfs/dbraw/zinc/24/14/98/984241498.db2.gz YYDBTXJSIWXWQF-XMSQKQJNSA-N 1 0 414.981 3.844 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000441686189 984395061 /nfs/dbraw/zinc/39/50/61/984395061.db2.gz IYGKZEXMTCEDOY-CBGDNZLLSA-N 1 0 424.570 3.827 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000441785253 984451697 /nfs/dbraw/zinc/45/16/97/984451697.db2.gz GAWJYGGEVSRHIA-QZTJIDSGSA-N 1 0 418.541 3.600 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441891468 984522259 /nfs/dbraw/zinc/52/22/59/984522259.db2.gz BEGNTHZZCHDQOZ-LMDPOFIKSA-N 1 0 415.557 3.658 20 30 HHEDRO N#Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1OC(F)(F)F ZINC000442189557 984711117 /nfs/dbraw/zinc/71/11/17/984711117.db2.gz BXXHEQREAXOKNS-UHFFFAOYSA-N 1 0 419.407 3.638 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000442242988 984764273 /nfs/dbraw/zinc/76/42/73/984764273.db2.gz OJGARWBAIIJSGK-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)[C@@H](C)C1 ZINC000461838571 984844151 /nfs/dbraw/zinc/84/41/51/984844151.db2.gz ZPSVSHQRJVGLKM-BWAGFHJFSA-N 1 0 422.577 3.552 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000461924051 984933844 /nfs/dbraw/zinc/93/38/44/984933844.db2.gz ZLGRVDLDOKEWCU-DLBZAZTESA-N 1 0 409.452 3.776 20 30 HHEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000461943936 984944481 /nfs/dbraw/zinc/94/44/81/984944481.db2.gz YXKBBFPMMUXYDF-RDPSFJRHSA-N 1 0 417.557 3.500 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000462185987 985167675 /nfs/dbraw/zinc/16/76/75/985167675.db2.gz IXAVBWWFQUSGOJ-XMSQKQJNSA-N 1 0 415.493 3.981 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000462187491 985169667 /nfs/dbraw/zinc/16/96/67/985169667.db2.gz GISVYJCXKLIXHP-JPYJTQIMSA-N 1 0 415.493 3.981 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1cccs1 ZINC000462304672 985290979 /nfs/dbraw/zinc/29/09/79/985290979.db2.gz XTNDNEQUYSSVBK-ACJLOTCBSA-N 1 0 409.964 3.635 20 30 HHEDRO C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443368456 985529093 /nfs/dbraw/zinc/52/90/93/985529093.db2.gz JCKJDHJSCCKLPM-DOTOQJQBSA-N 1 0 403.935 3.543 20 30 HHEDRO C[N@H+](CCNC(=O)C1CCN(c2cc(Cl)ccc2C#N)CC1)Cc1ccccc1 ZINC000462899773 985827231 /nfs/dbraw/zinc/82/72/31/985827231.db2.gz DFWMNZDORSOLCH-UHFFFAOYSA-N 1 0 410.949 3.676 20 30 HHEDRO N#Cc1ccc(CNC(=O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000443647833 985840391 /nfs/dbraw/zinc/84/03/91/985840391.db2.gz XZWBEDCNGZXUBN-UHFFFAOYSA-N 1 0 422.532 3.562 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000443673944 985881089 /nfs/dbraw/zinc/88/10/89/985881089.db2.gz IQVLZWIYRZZVRM-IYBDPMFKSA-N 1 0 414.468 3.889 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443681271 985892709 /nfs/dbraw/zinc/89/27/09/985892709.db2.gz LYDMMNWDVYRRQC-BGYRXZFFSA-N 1 0 421.541 3.756 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443843685 986046088 /nfs/dbraw/zinc/04/60/88/986046088.db2.gz OZLOJXLAICDILK-AVRDEDQJSA-N 1 0 409.530 3.696 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444195453 986372143 /nfs/dbraw/zinc/37/21/43/986372143.db2.gz LFEDBLUYAWRRMU-GOSISDBHSA-N 1 0 417.985 3.698 20 30 HHEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)C[C@@H](C)O1 ZINC000468784773 986496486 /nfs/dbraw/zinc/49/64/86/986496486.db2.gz BQMHBONIVZQDCA-WOJBJXKFSA-N 1 0 422.573 3.906 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000444386646 986561136 /nfs/dbraw/zinc/56/11/36/986561136.db2.gz SLPGKAGILDSEFB-SFHVURJKSA-N 1 0 407.514 3.576 20 30 HHEDRO CCN(CC)C(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000444394823 986573118 /nfs/dbraw/zinc/57/31/18/986573118.db2.gz WSNJSOVGEVQIMT-UHFFFAOYSA-N 1 0 407.946 3.521 20 30 HHEDRO C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000444401992 986583023 /nfs/dbraw/zinc/58/30/23/986583023.db2.gz ZAHXZOSDGAAICL-KDURUIRLSA-N 1 0 413.566 3.504 20 30 HHEDRO CCOC(=O)[C@@](C)(C[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000468923710 986629761 /nfs/dbraw/zinc/62/97/61/986629761.db2.gz JHSCAIVTYDRAIB-QRQCRPRQSA-N 1 0 413.905 3.649 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)on2)c1 ZINC000468930150 986636084 /nfs/dbraw/zinc/63/60/84/986636084.db2.gz IVRDWAJBEPYNEH-UHFFFAOYSA-N 1 0 404.445 3.747 20 30 HHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469008506 986714140 /nfs/dbraw/zinc/71/41/40/986714140.db2.gz PFPKJAKZXUHJMJ-SFTDATJTSA-N 1 0 421.589 3.576 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)C1 ZINC000469138498 986858205 /nfs/dbraw/zinc/85/82/05/986858205.db2.gz WNGPHKJAHZGBCI-UGKGYDQZSA-N 1 0 412.578 3.818 20 30 HHEDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444677693 986859427 /nfs/dbraw/zinc/85/94/27/986859427.db2.gz UOKCVIKAVGQNFQ-GOTSBHOMSA-N 1 0 406.526 3.929 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)CC1 ZINC000469210379 986933626 /nfs/dbraw/zinc/93/36/26/986933626.db2.gz DGWMMMOVBWTNEK-UHFFFAOYSA-N 1 0 415.497 3.996 20 30 HHEDRO C=CC[C@H]1[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCC1(C)C ZINC000444784709 986941478 /nfs/dbraw/zinc/94/14/78/986941478.db2.gz WIWCZXTYUCBAAP-OAQYLSRUSA-N 1 0 403.611 3.694 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000444787448 986942881 /nfs/dbraw/zinc/94/28/81/986942881.db2.gz XXQZCHXIZXGKJS-UHFFFAOYSA-N 1 0 419.569 3.867 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000469223445 986945431 /nfs/dbraw/zinc/94/54/31/986945431.db2.gz GRFMWMQFVYOGKM-IBGZPJMESA-N 1 0 409.486 3.750 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444842298 987001329 /nfs/dbraw/zinc/00/13/29/987001329.db2.gz YJZWLASQXUOWQG-QGZVFWFLSA-N 1 0 408.502 3.659 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)C1CC1 ZINC000469329891 987038045 /nfs/dbraw/zinc/03/80/45/987038045.db2.gz MJOHDWTVMGDYOV-QFIPXVFZSA-N 1 0 400.482 3.854 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1 ZINC000469429443 987116497 /nfs/dbraw/zinc/11/64/97/987116497.db2.gz DHRISEGSVYHEJG-DENIHFKCSA-N 1 0 410.562 3.812 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000470020301 987630717 /nfs/dbraw/zinc/63/07/17/987630717.db2.gz XNDSMAMVMOSRTG-DNQXCXABSA-N 1 0 404.558 3.569 20 30 HHEDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000470043984 987932204 /nfs/dbraw/zinc/93/22/04/987932204.db2.gz HBEMHCIBZVBOHB-INIZCTEOSA-N 1 0 413.905 3.533 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000470095947 987997124 /nfs/dbraw/zinc/99/71/24/987997124.db2.gz FNQIRIBHFBRIML-OAHLLOKOSA-N 1 0 400.441 3.501 20 30 HHEDRO C=C(C)C[NH+]1CCC(NCc2cc(Br)cc(Br)c2N)CC1 ZINC000470171360 988086897 /nfs/dbraw/zinc/08/68/97/988086897.db2.gz IXUYMBZSQRCJKJ-UHFFFAOYSA-N 1 0 417.189 3.924 20 30 HHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000470232130 988167126 /nfs/dbraw/zinc/16/71/26/988167126.db2.gz JOLAABHSFUSLBE-JOCHJYFZSA-N 1 0 403.526 3.941 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000464108242 988228791 /nfs/dbraw/zinc/22/87/91/988228791.db2.gz CEBQWNZMRNLDBW-NRFANRHFSA-N 1 0 421.541 3.682 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000470462180 988448986 /nfs/dbraw/zinc/44/89/86/988448986.db2.gz POQWTVIJVGREHB-KDURUIRLSA-N 1 0 424.570 3.659 20 30 HHEDRO C[NH+](C)CC1(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCCC1 ZINC000470548895 988559586 /nfs/dbraw/zinc/55/95/86/988559586.db2.gz VILKQFZVKLLRGF-UHFFFAOYSA-N 1 0 411.550 3.513 20 30 HHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470554681 988569055 /nfs/dbraw/zinc/56/90/55/988569055.db2.gz AHYAOEMFPFWDIR-UHFFFAOYSA-N 1 0 411.550 3.513 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470674018 988697963 /nfs/dbraw/zinc/69/79/63/988697963.db2.gz JFCNVSGHFLHGAE-JOCHJYFZSA-N 1 0 421.541 3.849 20 30 HHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470902351 988977283 /nfs/dbraw/zinc/97/72/83/988977283.db2.gz UDGHQOXTKDGZPJ-OAQYLSRUSA-N 1 0 404.539 3.736 20 30 HHEDRO N#CCCN(C(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(Cl)c1 ZINC000470991436 989056292 /nfs/dbraw/zinc/05/62/92/989056292.db2.gz CZUTXERROHVJBJ-OYRHEFFESA-N 1 0 422.960 3.650 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464959568 989258472 /nfs/dbraw/zinc/25/84/72/989258472.db2.gz AAUPAKHLULPCRU-UHFFFAOYSA-N 1 0 420.557 3.807 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000464975119 989276179 /nfs/dbraw/zinc/27/61/79/989276179.db2.gz XMIYMCNKZYRCNZ-HSZRJFAPSA-N 1 0 420.557 3.661 20 30 HHEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465153284 989483342 /nfs/dbraw/zinc/48/33/42/989483342.db2.gz GBPACRIRWUMHEZ-IERDGZPVSA-N 1 0 405.502 3.661 20 30 HHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000471664061 989868546 /nfs/dbraw/zinc/86/85/46/989868546.db2.gz LFHFVAIBDKWEAF-QHCPKHFHSA-N 1 0 419.573 3.636 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 ZINC000465554918 989918119 /nfs/dbraw/zinc/91/81/19/989918119.db2.gz IAHFYTZIRAZLTP-LJQANCHMSA-N 1 0 406.530 3.811 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000465574004 989941930 /nfs/dbraw/zinc/94/19/30/989941930.db2.gz OTOXXAARMZSPED-GOTSBHOMSA-N 1 0 406.530 3.608 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000471800129 989984265 /nfs/dbraw/zinc/98/42/65/989984265.db2.gz UGUQDGPANWXTQV-FYYLOGMGSA-N 1 0 416.525 3.593 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000471950827 990115258 /nfs/dbraw/zinc/11/52/58/990115258.db2.gz BTGOWXFGSNFGSF-XMMPIXPASA-N 1 0 400.526 3.789 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000471989938 990156125 /nfs/dbraw/zinc/15/61/25/990156125.db2.gz WCIXFAYFXXNOQP-UHFFFAOYSA-N 1 0 407.558 3.931 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000465775749 990158829 /nfs/dbraw/zinc/15/88/29/990158829.db2.gz CFVGFPAJGAXIOI-UHFFFAOYSA-N 1 0 406.530 3.812 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000465857041 990967713 /nfs/dbraw/zinc/96/77/13/990967713.db2.gz HLOHOAHYMCXDAQ-HNNXBMFYSA-N 1 0 410.356 3.556 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)NCCOc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000465917142 991048491 /nfs/dbraw/zinc/04/84/91/991048491.db2.gz FFZMNSXOLIMUJW-IBGZPJMESA-N 1 0 406.530 3.900 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)NCCOc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000465917143 991048642 /nfs/dbraw/zinc/04/86/42/991048642.db2.gz FFZMNSXOLIMUJW-LJQANCHMSA-N 1 0 406.530 3.900 20 30 HHEDRO CCC(CC)c1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000466120276 991299631 /nfs/dbraw/zinc/29/96/31/991299631.db2.gz YLQQVKTWIRCWJL-UHFFFAOYSA-N 1 0 409.534 3.867 20 30 HHEDRO COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000466155430 991341885 /nfs/dbraw/zinc/34/18/85/991341885.db2.gz WEQLMCHGUFLTAF-KRWDZBQOSA-N 1 0 410.493 3.684 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cn3c(n2)SCC3)cc1OC ZINC000466459652 991749790 /nfs/dbraw/zinc/74/97/90/991749790.db2.gz BFQDTPUADHFGRT-UHFFFAOYSA-N 1 0 424.364 3.657 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466531317 991830108 /nfs/dbraw/zinc/83/01/08/991830108.db2.gz TVINHQIFKSZBEZ-RXVVDRJESA-N 1 0 408.502 3.955 20 30 HHEDRO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466622374 991938261 /nfs/dbraw/zinc/93/82/61/991938261.db2.gz CSTFLPMUKZAOHD-FQEVSTJZSA-N 1 0 407.518 3.892 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1cccc(C#N)c1 ZINC000466820718 992128839 /nfs/dbraw/zinc/12/88/39/992128839.db2.gz CAHWVUNPTOEYNQ-UHFFFAOYSA-N 1 0 418.463 3.893 20 30 HHEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000466939505 992249966 /nfs/dbraw/zinc/24/99/66/992249966.db2.gz RVQHYYJPJPTAAJ-GAJHUEQPSA-N 1 0 406.505 3.892 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@@H]1CCCOC1 ZINC000467151745 992467809 /nfs/dbraw/zinc/46/78/09/992467809.db2.gz LVMVARQPFIIYMZ-SFHVURJKSA-N 1 0 406.530 3.525 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755812 993000415 /nfs/dbraw/zinc/00/04/15/993000415.db2.gz SRCLSCFNAGFJKN-MGPUTAFESA-N 1 0 408.571 3.750 20 30 HHEDRO CCc1nnc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c1CC ZINC000467790570 993026387 /nfs/dbraw/zinc/02/63/87/993026387.db2.gz WKECUJCCJJDPSD-UHFFFAOYSA-N 1 0 407.562 3.956 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C#N)ccc3OC)CC[N@@H+]2C2CC2)c1 ZINC000472310594 993322089 /nfs/dbraw/zinc/32/20/89/993322089.db2.gz GQJTZQREUHCFSH-DENIHFKCSA-N 1 0 406.486 3.675 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000472323332 993334124 /nfs/dbraw/zinc/33/41/24/993334124.db2.gz FZFWFDCWVYAJNH-OAQYLSRUSA-N 1 0 402.498 3.744 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472391687 993387041 /nfs/dbraw/zinc/38/70/41/993387041.db2.gz XYDBJYDRSAMLIF-NRFANRHFSA-N 1 0 408.502 3.815 20 30 HHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000480740788 993607805 /nfs/dbraw/zinc/60/78/05/993607805.db2.gz LYDUHKMJYUOJRR-LPHOPBHVSA-N 1 0 401.919 3.517 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000472884858 993811249 /nfs/dbraw/zinc/81/12/49/993811249.db2.gz SMEZYFGARYCYFB-JOCHJYFZSA-N 1 0 403.526 3.663 20 30 HHEDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H](C)C1 ZINC000481169439 994000048 /nfs/dbraw/zinc/00/00/48/994000048.db2.gz CBQFORXYBGEDEX-IKVWTGGYSA-N 1 0 412.578 3.770 20 30 HHEDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]1C ZINC000481183843 994014626 /nfs/dbraw/zinc/01/46/26/994014626.db2.gz BKJGMBVYALVLIT-WKRCXCSHSA-N 1 0 412.578 3.770 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000481266613 994085139 /nfs/dbraw/zinc/08/51/39/994085139.db2.gz CXVCXVCPCPAZDO-VXKWHMMOSA-N 1 0 422.598 3.978 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000473302665 994160994 /nfs/dbraw/zinc/16/09/94/994160994.db2.gz FCWKNXZWYBPRFO-QFIPXVFZSA-N 1 0 421.541 3.703 20 30 HHEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)C(C)C ZINC000473305578 994163838 /nfs/dbraw/zinc/16/38/38/994163838.db2.gz XAEKTIJEAREGPE-UHFFFAOYSA-N 1 0 422.529 3.914 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000473535591 994395384 /nfs/dbraw/zinc/39/53/84/994395384.db2.gz SUTRSWMXLMRFGE-QLOJAFMTSA-N 1 0 423.479 3.883 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481579344 994418427 /nfs/dbraw/zinc/41/84/27/994418427.db2.gz GUKFICTZJNGORS-KPRXVCGWSA-N 1 0 415.553 3.514 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2=O)c1 ZINC000481667738 994527875 /nfs/dbraw/zinc/52/78/75/994527875.db2.gz HJUVMRHUTFIGFH-XZOQPEGZSA-N 1 0 405.498 3.738 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000481738161 994594199 /nfs/dbraw/zinc/59/41/99/994594199.db2.gz FOOWGRJEKZFUNW-IBGZPJMESA-N 1 0 421.589 3.895 20 30 HHEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1 ZINC000481838879 994691730 /nfs/dbraw/zinc/69/17/30/994691730.db2.gz JIBDPQRTEZEGIJ-UHFFFAOYSA-N 1 0 404.436 3.744 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000473819345 994747138 /nfs/dbraw/zinc/74/71/38/994747138.db2.gz GRYSDFWZBUGGQI-KRWDZBQOSA-N 1 0 411.377 3.912 20 30 HHEDRO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481928908 994800693 /nfs/dbraw/zinc/80/06/93/994800693.db2.gz SXHOMSQYPZEHON-DEOSSOPVSA-N 1 0 402.542 3.784 20 30 HHEDRO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000473971154 994954520 /nfs/dbraw/zinc/95/45/20/994954520.db2.gz MCNMKMPNTIDUAT-JOCHJYFZSA-N 1 0 404.514 3.608 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000473988398 994975563 /nfs/dbraw/zinc/97/55/63/994975563.db2.gz UIZZPAZHHIPYMW-LJQANCHMSA-N 1 0 417.513 3.760 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000482096638 995039717 /nfs/dbraw/zinc/03/97/17/995039717.db2.gz BUSRCUWFXDGDQF-DHIUTWEWSA-N 1 0 401.510 3.693 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000482097090 995040755 /nfs/dbraw/zinc/04/07/55/995040755.db2.gz BUSRCUWFXDGDQF-PKTZIBPZSA-N 1 0 401.510 3.693 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Br)cn1)C(C)C ZINC000474056893 995045894 /nfs/dbraw/zinc/04/58/94/995045894.db2.gz LNFDKDFLUMBYAU-QAPCUYQASA-N 1 0 409.372 3.903 20 30 HHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000474262055 995261145 /nfs/dbraw/zinc/26/11/45/995261145.db2.gz DDOGOQSSUJHUFU-INIZCTEOSA-N 1 0 403.452 3.900 20 30 HHEDRO CCCc1c(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000482512445 995522656 /nfs/dbraw/zinc/52/26/56/995522656.db2.gz RNGUGESUAVVSDY-XLIONFOSSA-N 1 0 406.534 3.787 20 30 HHEDRO COCCn1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000482571425 995576253 /nfs/dbraw/zinc/57/62/53/995576253.db2.gz CJFAJFJEIVRGOI-UHFFFAOYSA-N 1 0 416.525 3.576 20 30 HHEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000482635920 995630213 /nfs/dbraw/zinc/63/02/13/995630213.db2.gz VCGMXGCSEFFJQO-IBGZPJMESA-N 1 0 405.608 3.552 20 30 HHEDRO C=C(C)COCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474805421 995716813 /nfs/dbraw/zinc/71/68/13/995716813.db2.gz TYBVFVCHEUZHTO-HKUYNNGSSA-N 1 0 413.484 3.980 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000474900232 995788712 /nfs/dbraw/zinc/78/87/12/995788712.db2.gz PNCWBUKOEBHEKV-UHFFFAOYSA-N 1 0 406.530 3.812 20 30 HHEDRO C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000483016312 995921184 /nfs/dbraw/zinc/92/11/84/995921184.db2.gz PQZOAJOLFAXPBP-SQJMNOBHSA-N 1 0 416.569 3.576 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000475335729 996076542 /nfs/dbraw/zinc/07/65/42/996076542.db2.gz XKDMWMOEEVRRIH-UHFFFAOYSA-N 1 0 422.529 3.949 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483281460 996078815 /nfs/dbraw/zinc/07/88/15/996078815.db2.gz NGBTTYLIJIXQQR-AWEZNQCLSA-N 1 0 417.840 3.944 20 30 HHEDRO CCN1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H]1c1ncc[nH]1 ZINC000475348971 996083125 /nfs/dbraw/zinc/08/31/25/996083125.db2.gz GSPAKYHRJVFJEZ-HSZRJFAPSA-N 1 0 401.514 3.739 20 30 HHEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000475457522 996152831 /nfs/dbraw/zinc/15/28/31/996152831.db2.gz ICVYIRDTYYGCTP-HXUWFJFHSA-N 1 0 420.513 3.622 20 30 HHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(OCC(C)C)c1 ZINC000475500153 996183126 /nfs/dbraw/zinc/18/31/26/996183126.db2.gz AJKCCVFOTKPFOW-UHFFFAOYSA-N 1 0 409.530 3.806 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475529627 996203893 /nfs/dbraw/zinc/20/38/93/996203893.db2.gz MGEHMXWIPXKLEH-UHFFFAOYSA-N 1 0 411.980 3.806 20 30 HHEDRO CN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000483477491 996205639 /nfs/dbraw/zinc/20/56/39/996205639.db2.gz REDJIPHRVMCNOF-XZOQPEGZSA-N 1 0 408.590 3.658 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)cc2)cc1 ZINC000475612457 996247531 /nfs/dbraw/zinc/24/75/31/996247531.db2.gz MVQNOROPFAKTOF-UHFFFAOYSA-N 1 0 406.486 3.679 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc2cccc(F)c2o1 ZINC000475693382 996305506 /nfs/dbraw/zinc/30/55/06/996305506.db2.gz DEUKDAVHKKMTLX-AWEZNQCLSA-N 1 0 403.417 3.919 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475789274 996372319 /nfs/dbraw/zinc/37/23/19/996372319.db2.gz KRPDMARZZSHXTB-CTNGQTDRSA-N 1 0 403.592 3.775 20 30 HHEDRO C[N@H+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccc(F)cc1 ZINC000483797185 996394198 /nfs/dbraw/zinc/39/41/98/996394198.db2.gz FZIFENDBHZGJSB-UHFFFAOYSA-N 1 0 424.520 3.819 20 30 HHEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000476013402 996541507 /nfs/dbraw/zinc/54/15/07/996541507.db2.gz QRCYIHGJZOWGAM-AWRGLXIESA-N 1 0 407.562 3.739 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000476157680 996642627 /nfs/dbraw/zinc/64/26/27/996642627.db2.gz NSPCYOGBUWUIDB-QFIPXVFZSA-N 1 0 418.541 3.906 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1cccs1 ZINC000476330182 996760678 /nfs/dbraw/zinc/76/06/78/996760678.db2.gz YHGISAKDJGXJFN-KSSFIOAISA-N 1 0 409.964 3.635 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000476441240 996912742 /nfs/dbraw/zinc/91/27/42/996912742.db2.gz YRYOWSAKAAPHDN-UHFFFAOYSA-N 1 0 400.567 3.615 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000476767471 997324436 /nfs/dbraw/zinc/32/44/36/997324436.db2.gz RKVOIGIYLIQPSX-JOCHJYFZSA-N 1 0 406.530 3.938 20 30 HHEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000484994017 997356653 /nfs/dbraw/zinc/35/66/53/997356653.db2.gz JFFVBBWDZKRATE-HRAATJIYSA-N 1 0 403.486 3.511 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Br ZINC000485231074 997607612 /nfs/dbraw/zinc/60/76/12/997607612.db2.gz NSJWLOIJICUTDP-SFHVURJKSA-N 1 0 414.303 3.615 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC3(CCCC3)C2)c1C#N ZINC000485231171 997608883 /nfs/dbraw/zinc/60/88/83/997608883.db2.gz AYHMXOUDLJXLNN-UHFFFAOYSA-N 1 0 410.518 3.592 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477004735 997636757 /nfs/dbraw/zinc/63/67/57/997636757.db2.gz PYVNYWGWKHXWLR-IIBYNOLFSA-N 1 0 400.885 3.572 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CC3(c4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000485287697 997685643 /nfs/dbraw/zinc/68/56/43/997685643.db2.gz NGALXOGAPSOEGP-JOCHJYFZSA-N 1 0 407.489 3.531 20 30 HHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485350152 997771527 /nfs/dbraw/zinc/77/15/27/997771527.db2.gz QHCFKQHTHGZMIW-SMIHKQSGSA-N 1 0 403.526 3.759 20 30 HHEDRO N#Cc1ccsc1N1CC[C@H](N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000485361484 997785898 /nfs/dbraw/zinc/78/58/98/997785898.db2.gz NORVFVCWLCRXMT-BDTNDASRSA-N 1 0 420.582 3.712 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000485430680 997868969 /nfs/dbraw/zinc/86/89/69/997868969.db2.gz GTIBYWFTRWNXAB-HSZRJFAPSA-N 1 0 422.960 3.961 20 30 HHEDRO C=CCSc1ccccc1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000485474441 997923237 /nfs/dbraw/zinc/92/32/37/997923237.db2.gz CIWAIINZKIWZIA-UHFFFAOYSA-N 1 0 411.571 3.843 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)cc(OC)c1OC ZINC000485504411 997961714 /nfs/dbraw/zinc/96/17/14/997961714.db2.gz LGEBTIUIBHTYMM-UHFFFAOYSA-N 1 0 401.551 3.592 20 30 HHEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000485701462 998165755 /nfs/dbraw/zinc/16/57/55/998165755.db2.gz NLUJSZASLJAMGL-GOSISDBHSA-N 1 0 400.544 3.984 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000477577837 998295747 /nfs/dbraw/zinc/29/57/47/998295747.db2.gz VBDOURASAKYTDK-JOCHJYFZSA-N 1 0 408.546 3.843 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000477730737 998463774 /nfs/dbraw/zinc/46/37/74/998463774.db2.gz IJSCGDSNGKCZIU-JOCHJYFZSA-N 1 0 420.548 3.782 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1)CC(F)(F)F ZINC000477738840 998476151 /nfs/dbraw/zinc/47/61/51/998476151.db2.gz AWAZXIYKEPJMNB-IBGZPJMESA-N 1 0 424.511 3.756 20 30 HHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000477825497 998580640 /nfs/dbraw/zinc/58/06/40/998580640.db2.gz WNQBPKKDTJWQRQ-FQEVSTJZSA-N 1 0 419.447 3.668 20 30 HHEDRO N#Cc1ccc(NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC000478073621 998749421 /nfs/dbraw/zinc/74/94/21/998749421.db2.gz ZDLJANYYIVRFQC-FQEVSTJZSA-N 1 0 423.948 3.636 20 30 HHEDRO N#Cc1ccc2ncc(C[N@@H+]3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)n2c1 ZINC000486436816 998767129 /nfs/dbraw/zinc/76/71/29/998767129.db2.gz UQDLHOSFOPXEIY-NTKDMRAZSA-N 1 0 410.481 3.810 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](c2ccccc2)C1 ZINC000478369225 998921034 /nfs/dbraw/zinc/92/10/34/998921034.db2.gz JEYNXKPKDAUWOB-RPBOFIJWSA-N 1 0 411.505 3.965 20 30 HHEDRO N#Cc1cccc(OCCC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000486821018 998955389 /nfs/dbraw/zinc/95/53/89/998955389.db2.gz LNRUUIOSEVQGRN-HYBUGGRVSA-N 1 0 415.497 3.826 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486822273 998956336 /nfs/dbraw/zinc/95/63/36/998956336.db2.gz JLKBNIUAKIVFFM-DRMXPCRNSA-N 1 0 408.546 3.903 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1C#N ZINC000487035575 999043648 /nfs/dbraw/zinc/04/36/48/999043648.db2.gz BQKUCUWEXHHGRB-SFHVURJKSA-N 1 0 420.582 3.847 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487277011 999121824 /nfs/dbraw/zinc/12/18/24/999121824.db2.gz YUBZWVSUQACXNS-KWOQKUFVSA-N 1 0 405.542 3.988 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000478779091 999136678 /nfs/dbraw/zinc/13/66/78/999136678.db2.gz PDXIYEQXMOXXRX-LJQANCHMSA-N 1 0 421.541 3.738 20 30 HHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000487889901 999305839 /nfs/dbraw/zinc/30/58/39/999305839.db2.gz APPUCJZLLTVHNK-GOSISDBHSA-N 1 0 417.307 3.754 20 30 HHEDRO N#CC1(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479223776 999332543 /nfs/dbraw/zinc/33/25/43/999332543.db2.gz XDBBENWWMXLCTI-UHFFFAOYSA-N 1 0 412.493 3.534 20 30 HHEDRO N#CC1(NC(=O)COc2ccccc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000479274180 999359242 /nfs/dbraw/zinc/35/92/42/999359242.db2.gz IWEIFTFTDQWUJJ-UHFFFAOYSA-N 1 0 417.431 3.759 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000488068304 999365779 /nfs/dbraw/zinc/36/57/79/999365779.db2.gz LQHPQGFLCYREDW-IBGZPJMESA-N 1 0 419.525 3.870 20 30 HHEDRO N#CC1(NC(=O)CSc2nc3ccccc3o2)CC[NH+](Cc2ccccc2)CC1 ZINC000479294255 999370105 /nfs/dbraw/zinc/37/01/05/999370105.db2.gz YUBMPEDOARQOKA-UHFFFAOYSA-N 1 0 406.511 3.594 20 30 HHEDRO C=CCC[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000488364117 999458271 /nfs/dbraw/zinc/45/82/71/999458271.db2.gz GXODVOGKIHSCMD-ZEQRLZLVSA-N 1 0 419.569 3.750 20 30 HHEDRO Cc1cc(N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479525553 999460390 /nfs/dbraw/zinc/46/03/90/999460390.db2.gz DZBATQBCCPDUTJ-HXUWFJFHSA-N 1 0 411.594 3.669 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cccc(N4CCOCC4)n3)c2)c1 ZINC000479607529 999498453 /nfs/dbraw/zinc/49/84/53/999498453.db2.gz CDAHFBBZXFVEFJ-UHFFFAOYSA-N 1 0 414.509 3.659 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1OC(F)(F)F ZINC000488502852 999509900 /nfs/dbraw/zinc/50/99/00/999509900.db2.gz IVEBYJYBAYCLNX-KSSFIOAISA-N 1 0 403.404 3.909 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488522533 999517125 /nfs/dbraw/zinc/51/71/25/999517125.db2.gz PBSVVKKELJWAOX-RDPSFJRHSA-N 1 0 420.557 3.627 20 30 HHEDRO C=CC[C@@H](C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000488699983 999578513 /nfs/dbraw/zinc/57/85/13/999578513.db2.gz DLWUJUHASLWOMU-HSZRJFAPSA-N 1 0 405.542 3.725 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000479841073 999620271 /nfs/dbraw/zinc/62/02/71/999620271.db2.gz WWCXJEGWHWOXHM-OAQYLSRUSA-N 1 0 407.514 3.678 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000479850668 999624562 /nfs/dbraw/zinc/62/45/62/999624562.db2.gz WAPMOVVZFOINOO-JOCHJYFZSA-N 1 0 407.514 3.678 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3ccc4c(c3)CCC4)CC2)cc1 ZINC000479889869 999637715 /nfs/dbraw/zinc/63/77/15/999637715.db2.gz WNPFKUIDSQRPSM-UHFFFAOYSA-N 1 0 417.553 3.940 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1Cl ZINC000489013429 999671786 /nfs/dbraw/zinc/67/17/86/999671786.db2.gz NERKZWMJKXCSIU-INIZCTEOSA-N 1 0 402.857 3.618 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000489074590 999690937 /nfs/dbraw/zinc/69/09/37/999690937.db2.gz PMRZTAHLLUWJSV-VWLOTQADSA-N 1 0 420.557 3.771 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000489296432 999739531 /nfs/dbraw/zinc/73/95/31/999739531.db2.gz ZKZKEDCNRQSORC-VGOFRKELSA-N 1 0 411.546 3.923 20 30 HHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000489296120 999739591 /nfs/dbraw/zinc/73/95/91/999739591.db2.gz TULBPOLHNZQNHB-KRWDZBQOSA-N 1 0 409.534 3.729 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489298988 999740007 /nfs/dbraw/zinc/74/00/07/999740007.db2.gz VSDYLBITUDAQRS-UHFFFAOYSA-N 1 0 422.529 3.712 20 30 HHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000489384775 999755938 /nfs/dbraw/zinc/75/59/38/999755938.db2.gz BBTLPHZZGDCMHW-NRFANRHFSA-N 1 0 419.573 3.955 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000489539526 999787936 /nfs/dbraw/zinc/78/79/36/999787936.db2.gz YPXDENOOMGMVBW-AVRDEDQJSA-N 1 0 406.530 3.635 20 30 HHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000490030431 999881226 /nfs/dbraw/zinc/88/12/26/999881226.db2.gz LJTMOFAZZNIVCF-LADGPHEKSA-N 1 0 402.542 3.508 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 ZINC000490227262 999915504 /nfs/dbraw/zinc/91/55/04/999915504.db2.gz NEVKWEZYALPIPJ-UHFFFAOYSA-N 1 0 407.580 3.562 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490368588 999945868 /nfs/dbraw/zinc/94/58/68/999945868.db2.gz LHJMHXHEIFUCBG-UHFFFAOYSA-N 1 0 412.921 3.521 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056077 1000040000 /nfs/dbraw/zinc/04/00/00/1000040000.db2.gz IEYPSDOUQPISBO-DHIUTWEWSA-N 1 0 416.606 3.751 20 30 HHEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(-c2ccc(C#N)cc2)n1 ZINC000491081251 1000043397 /nfs/dbraw/zinc/04/33/97/1000043397.db2.gz BOBUKXSKZNWQEX-HXUWFJFHSA-N 1 0 415.545 3.656 20 30 HHEDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)Cc2ccccc21 ZINC000491081141 1000043403 /nfs/dbraw/zinc/04/34/03/1000043403.db2.gz BFFHOJJTYWMRLL-JOCHJYFZSA-N 1 0 400.482 3.621 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(COC(C)(C)CC)c2C)CC1 ZINC000491337377 1000066439 /nfs/dbraw/zinc/06/64/39/1000066439.db2.gz ZQNTWPHJPVCWDM-UHFFFAOYSA-N 1 0 415.578 3.795 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000491490676 1000079014 /nfs/dbraw/zinc/07/90/14/1000079014.db2.gz NERPCUSMGNVSDA-UHFFFAOYSA-N 1 0 405.542 3.815 20 30 HHEDRO CC[N@H+](CCNc1c(C#N)cnc2ccc(OC(F)F)cc21)CCC(F)(F)F ZINC000491591625 1000087014 /nfs/dbraw/zinc/08/70/14/1000087014.db2.gz MZUFENLNNBYDEW-UHFFFAOYSA-N 1 0 402.367 3.816 20 30 HHEDRO Cc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000493080164 1000156754 /nfs/dbraw/zinc/15/67/54/1000156754.db2.gz ONKIOZFRRHEWBW-SFHVURJKSA-N 1 0 421.501 3.753 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1C#N ZINC000494050349 1000283773 /nfs/dbraw/zinc/28/37/73/1000283773.db2.gz QIDGRWLCLCIGCK-FOIQADDNSA-N 1 0 406.555 3.945 20 30 HHEDRO N#Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000504643670 1000305704 /nfs/dbraw/zinc/30/57/04/1000305704.db2.gz BXEBQXFIENZSPF-UHFFFAOYSA-N 1 0 424.548 3.739 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cc(Br)cs1 ZINC000494114799 1000314263 /nfs/dbraw/zinc/31/42/63/1000314263.db2.gz DCLUDWDKPNLZFP-UHFFFAOYSA-N 1 0 422.348 3.859 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000494217937 1000369595 /nfs/dbraw/zinc/36/95/95/1000369595.db2.gz YTZARCSWTILVKI-RTBURBONSA-N 1 0 420.513 3.587 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000494239551 1000381090 /nfs/dbraw/zinc/38/10/90/1000381090.db2.gz YFAFPZKEJMTELI-BJKOFHAPSA-N 1 0 403.526 3.586 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000494454543 1000500784 /nfs/dbraw/zinc/50/07/84/1000500784.db2.gz LCYSWUAOXVZKEB-ZRCGQRJVSA-N 1 0 417.933 3.937 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494465304 1000506215 /nfs/dbraw/zinc/50/62/15/1000506215.db2.gz AXBNPDNDLLEAMW-LVXYXVKQSA-N 1 0 417.431 3.859 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Br)cs1 ZINC000494483692 1000517245 /nfs/dbraw/zinc/51/72/45/1000517245.db2.gz ODLXLLHVENMDAB-MLGOLLRUSA-N 1 0 404.333 3.834 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000494505821 1000529733 /nfs/dbraw/zinc/52/97/33/1000529733.db2.gz PKKSCDHOWOQEHA-TZIWHRDSSA-N 1 0 401.869 3.846 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)c(F)c1 ZINC000505147924 1000577861 /nfs/dbraw/zinc/57/78/61/1000577861.db2.gz DSIZCFBJUCYIMT-JOCHJYFZSA-N 1 0 424.520 3.850 20 30 HHEDRO Cc1ccsc1[C@H](CO)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494629422 1000580596 /nfs/dbraw/zinc/58/05/96/1000580596.db2.gz GOQGRKBNKNOXGP-INIZCTEOSA-N 1 0 403.573 3.910 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+]2CCCC2)c1 ZINC000505180902 1000600650 /nfs/dbraw/zinc/60/06/50/1000600650.db2.gz YSBSBZIQKDPHNK-JOCHJYFZSA-N 1 0 407.489 3.691 20 30 HHEDRO CC(C)CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000494751213 1000633988 /nfs/dbraw/zinc/63/39/88/1000633988.db2.gz JLERNJOGXPXDPT-LJQANCHMSA-N 1 0 412.578 3.867 20 30 HHEDRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000494787054 1000656019 /nfs/dbraw/zinc/65/60/19/1000656019.db2.gz YFUODYLKURIGME-VQIMIIECSA-N 1 0 410.562 3.619 20 30 HHEDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000494793742 1000659853 /nfs/dbraw/zinc/65/98/53/1000659853.db2.gz WAMGRUNPBVJAMG-QYZOEREBSA-N 1 0 412.578 3.867 20 30 HHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)CC1 ZINC000505358974 1000722846 /nfs/dbraw/zinc/72/28/46/1000722846.db2.gz FUJSQAONRRRMBK-UHFFFAOYSA-N 1 0 418.541 3.905 20 30 HHEDRO C=CCn1c(SCCC[NH+]2CCN(c3ccccc3)CC2)nnc1-c1cccnc1 ZINC000505456070 1000785727 /nfs/dbraw/zinc/78/57/27/1000785727.db2.gz VCJRISFNPYYULR-UHFFFAOYSA-N 1 0 420.586 3.831 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)[NH+](C)C)cc1 ZINC000505459205 1000787838 /nfs/dbraw/zinc/78/78/38/1000787838.db2.gz YDIHROHCVLURSB-HSZRJFAPSA-N 1 0 401.514 3.648 20 30 HHEDRO CC(C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000505617571 1000936300 /nfs/dbraw/zinc/93/63/00/1000936300.db2.gz ZRMWNJDWFUZYRX-HSZRJFAPSA-N 1 0 405.517 3.928 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000505622933 1000939040 /nfs/dbraw/zinc/93/90/40/1000939040.db2.gz QOYWDGDTYYAORT-SIKLNZKXSA-N 1 0 405.542 3.913 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000505673034 1000968176 /nfs/dbraw/zinc/96/81/76/1000968176.db2.gz LPZGAFDJOWHNOS-DENIHFKCSA-N 1 0 405.542 3.771 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000505673036 1000968366 /nfs/dbraw/zinc/96/83/66/1000968366.db2.gz LPZGAFDJOWHNOS-KNQAVFIVSA-N 1 0 405.542 3.771 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)CC1 ZINC000505747314 1001004653 /nfs/dbraw/zinc/00/46/53/1001004653.db2.gz IUYDJVNCDGXVEE-XMMPIXPASA-N 1 0 413.562 3.796 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000495461709 1001020933 /nfs/dbraw/zinc/02/09/33/1001020933.db2.gz XSGINHNSZRUIPR-IBGZPJMESA-N 1 0 421.676 3.993 20 30 HHEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000505784978 1001022187 /nfs/dbraw/zinc/02/21/87/1001022187.db2.gz RRSOQPIIIRTFKE-AZUAARDMSA-N 1 0 404.297 3.784 20 30 HHEDRO N#Cc1cccc(F)c1CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505867804 1001069686 /nfs/dbraw/zinc/06/96/86/1001069686.db2.gz IZIDJUVSQUHYRZ-UHFFFAOYSA-N 1 0 419.422 3.993 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000505873260 1001073173 /nfs/dbraw/zinc/07/31/73/1001073173.db2.gz WFEQXMDUXLVMLT-UHFFFAOYSA-N 1 0 405.542 3.567 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000505919860 1001102114 /nfs/dbraw/zinc/10/21/14/1001102114.db2.gz VXWOUNICAIOKEX-CTNGQTDRSA-N 1 0 413.562 3.839 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000505929071 1001108266 /nfs/dbraw/zinc/10/82/66/1001108266.db2.gz ZHGDNBFEPVRIHL-JOCHJYFZSA-N 1 0 409.505 3.937 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(OC)c1 ZINC000505929360 1001108890 /nfs/dbraw/zinc/10/88/90/1001108890.db2.gz CIYQKIZZRIKUJD-PZJWPPBQSA-N 1 0 400.563 3.916 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000505981806 1001141876 /nfs/dbraw/zinc/14/18/76/1001141876.db2.gz NKZKRBUMSYZGOB-UHFFFAOYSA-N 1 0 409.505 3.718 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506008549 1001158795 /nfs/dbraw/zinc/15/87/95/1001158795.db2.gz RGPXNZIOUZARCW-OAHLLOKOSA-N 1 0 403.889 3.648 20 30 HHEDRO C=CCOc1ccc(CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000497346409 1001302222 /nfs/dbraw/zinc/30/22/22/1001302222.db2.gz AELNCTCINKHZGL-HXUWFJFHSA-N 1 0 423.557 3.951 20 30 HHEDRO CSc1cc2c(cc1CN1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)OCCO2 ZINC000506245063 1001303775 /nfs/dbraw/zinc/30/37/75/1001303775.db2.gz GCHYBBGVMMPEEA-UHFFFAOYSA-N 1 0 409.555 3.759 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc4c(cc3OC(F)F)OCO4)CC2)cc1 ZINC000506296045 1001336330 /nfs/dbraw/zinc/33/63/30/1001336330.db2.gz WILHAHBHOCYNEK-UHFFFAOYSA-N 1 0 415.440 3.596 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H](c2ccccc2)C1 ZINC000497399772 1001338455 /nfs/dbraw/zinc/33/84/55/1001338455.db2.gz PCSAJSWILZUKGT-DQEYMECFSA-N 1 0 411.505 3.965 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000506478582 1001431146 /nfs/dbraw/zinc/43/11/46/1001431146.db2.gz GWUKRJMOSRXITQ-OALUTQOASA-N 1 0 400.592 3.827 20 30 HHEDRO Cc1cc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nn1-c1cccc(C#N)c1 ZINC000506504795 1001443343 /nfs/dbraw/zinc/44/33/43/1001443343.db2.gz YCPBORVESGIJSI-WIYYLYMNSA-N 1 0 405.546 3.779 20 30 HHEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)C(N)=O)cc1 ZINC000506624761 1001475118 /nfs/dbraw/zinc/47/51/18/1001475118.db2.gz PUYXJNUWDAAURO-MRXNPFEDSA-N 1 0 404.333 3.620 20 30 HHEDRO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(-c2ccccc2)cc1OC ZINC000506661373 1001486608 /nfs/dbraw/zinc/48/66/08/1001486608.db2.gz NLFDVNCPPZOXSM-UHFFFAOYSA-N 1 0 414.509 3.960 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc(OC)c1O ZINC000506721395 1001504705 /nfs/dbraw/zinc/50/47/05/1001504705.db2.gz AYHCXCBLXWDZLK-UHFFFAOYSA-N 1 0 424.497 3.709 20 30 HHEDRO CCOC(=O)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2c1CCCS2 ZINC000506940766 1001606217 /nfs/dbraw/zinc/60/62/17/1001606217.db2.gz WMCHAADSCLGMSV-UHFFFAOYSA-N 1 0 424.592 3.662 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000498162491 1001670255 /nfs/dbraw/zinc/67/02/55/1001670255.db2.gz MBJVRBSYRVRPHU-PMACEKPBSA-N 1 0 411.546 3.829 20 30 HHEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507146606 1001837836 /nfs/dbraw/zinc/83/78/36/1001837836.db2.gz WNEIODQIJSSEPU-UHFFFAOYSA-N 1 0 402.558 3.740 20 30 HHEDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000498433021 1001864017 /nfs/dbraw/zinc/86/40/17/1001864017.db2.gz BUKIHZAIBZATSA-HXUWFJFHSA-N 1 0 420.557 3.548 20 30 HHEDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000498507172 1001928949 /nfs/dbraw/zinc/92/89/49/1001928949.db2.gz CLRCDYZKPZVGNZ-LJQANCHMSA-N 1 0 422.598 3.606 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000507284517 1001968436 /nfs/dbraw/zinc/96/84/36/1001968436.db2.gz OFJPTQCLPIUHKG-OKILXGFUSA-N 1 0 417.497 3.612 20 30 HHEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507410881 1002056558 /nfs/dbraw/zinc/05/65/58/1002056558.db2.gz ZIFNJRUBCPXSOU-PZJWPPBQSA-N 1 0 407.514 3.682 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1Cl ZINC000507445210 1002074370 /nfs/dbraw/zinc/07/43/70/1002074370.db2.gz BEPGBHWHKYBXQY-VFNWGFHPSA-N 1 0 420.904 3.639 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-n2cncn2)cc1Cl ZINC000507445209 1002074404 /nfs/dbraw/zinc/07/44/04/1002074404.db2.gz BEPGBHWHKYBXQY-QVKFZJNVSA-N 1 0 420.904 3.639 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000507623178 1002227964 /nfs/dbraw/zinc/22/79/64/1002227964.db2.gz XMHHFVYBKSHKFV-UHFFFAOYSA-N 1 0 417.553 3.880 20 30 HHEDRO CC(=O)N1CCN(c2ccccc2C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507660971 1002258379 /nfs/dbraw/zinc/25/83/79/1002258379.db2.gz QYKRJRDZKQQBRT-UHFFFAOYSA-N 1 0 416.569 3.849 20 30 HHEDRO C[C@H]([NH2+][C@H](Cn1ccccc1=O)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000507708124 1002299013 /nfs/dbraw/zinc/29/90/13/1002299013.db2.gz MVBRWQWTPVOQAX-NZQKXSOJSA-N 1 0 414.509 3.515 20 30 HHEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000507791492 1002347414 /nfs/dbraw/zinc/34/74/14/1002347414.db2.gz CMDBFTWNQMARCQ-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO CC[NH+]1CCC(N(c2ccccc2OC)S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000508124536 1002653840 /nfs/dbraw/zinc/65/38/40/1002653840.db2.gz IIZQLOVOJYJYNU-UHFFFAOYSA-N 1 0 413.543 3.555 20 30 HHEDRO N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000508247644 1002770359 /nfs/dbraw/zinc/77/03/59/1002770359.db2.gz IDEHCJWRHWKTQD-UHFFFAOYSA-N 1 0 417.557 3.941 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000508392925 1002883105 /nfs/dbraw/zinc/88/31/05/1002883105.db2.gz QQLNILDNVQQGNL-HSZRJFAPSA-N 1 0 406.530 3.722 20 30 HHEDRO C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508470795 1002955169 /nfs/dbraw/zinc/95/51/69/1002955169.db2.gz DNRBXXXXEINBBV-IBGZPJMESA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508489977 1002972835 /nfs/dbraw/zinc/97/28/35/1002972835.db2.gz AFJFCMCUGMNROC-IBGZPJMESA-N 1 0 404.518 3.851 20 30 HHEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508492446 1002975212 /nfs/dbraw/zinc/97/52/12/1002975212.db2.gz JOFHTGGKNJHOEU-HNNXBMFYSA-N 1 0 419.371 3.534 20 30 HHEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000499601270 1002975477 /nfs/dbraw/zinc/97/54/77/1002975477.db2.gz ULKQXNZNVGBAFO-NRFANRHFSA-N 1 0 413.562 3.829 20 30 HHEDRO C=CCn1c(CC2CCCCC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508492741 1002975918 /nfs/dbraw/zinc/97/59/18/1002975918.db2.gz KJKIQWQXRILTNZ-UHFFFAOYSA-N 1 0 401.599 3.668 20 30 HHEDRO C=CCn1c(-c2ccccc2F)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508496808 1002979914 /nfs/dbraw/zinc/97/99/14/1002979914.db2.gz GPFIYYOXSAUDGI-QZTJIDSGSA-N 1 0 413.541 3.596 20 30 HHEDRO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508496896 1002980010 /nfs/dbraw/zinc/98/00/10/1002980010.db2.gz HGYXIXQIOAWENV-UHFFFAOYSA-N 1 0 413.566 3.707 20 30 HHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508503981 1002985751 /nfs/dbraw/zinc/98/57/51/1002985751.db2.gz IKPNLQAOKVNFOI-VSKRKVRLSA-N 1 0 407.562 3.807 20 30 HHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508503980 1002986075 /nfs/dbraw/zinc/98/60/75/1002986075.db2.gz IKPNLQAOKVNFOI-FSSWDIPSSA-N 1 0 407.562 3.807 20 30 HHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)c2c(c1)OCCO2 ZINC000508541205 1003017474 /nfs/dbraw/zinc/01/74/74/1003017474.db2.gz KTKHFIRONIAVBX-UHFFFAOYSA-N 1 0 417.303 3.741 20 30 HHEDRO C=CCN1CC[C@@H]([NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)C1=O ZINC000499713332 1003062948 /nfs/dbraw/zinc/06/29/48/1003062948.db2.gz XUIXEGXHUFUIPI-MOPGFXCFSA-N 1 0 400.320 3.504 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3cccc(Br)c3)CCC2)cc1 ZINC000508641193 1003090340 /nfs/dbraw/zinc/09/03/40/1003090340.db2.gz WYZSVQIFNXGGSN-SFHVURJKSA-N 1 0 401.304 3.729 20 30 HHEDRO COc1cc(Br)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000499761796 1003100746 /nfs/dbraw/zinc/10/07/46/1003100746.db2.gz CQUITJARDJRDER-UHFFFAOYSA-N 1 0 416.319 3.533 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000508808376 1003234955 /nfs/dbraw/zinc/23/49/55/1003234955.db2.gz GTQUHZUCSHSIKM-UHFFFAOYSA-N 1 0 410.909 3.515 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508819093 1003243400 /nfs/dbraw/zinc/24/34/00/1003243400.db2.gz WNCUMUGCAUHLFM-FSSWDIPSSA-N 1 0 407.562 3.774 20 30 HHEDRO C=CCn1c(N2CC[C@H](C[NH+]3CCCCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000508823681 1003247029 /nfs/dbraw/zinc/24/70/29/1003247029.db2.gz FGFBGSIGYLOGTI-GOSISDBHSA-N 1 0 417.504 3.905 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508828238 1003250543 /nfs/dbraw/zinc/25/05/43/1003250543.db2.gz OVJZIOMCJFWYJK-UHFFFAOYSA-N 1 0 403.534 3.586 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508845951 1003267361 /nfs/dbraw/zinc/26/73/61/1003267361.db2.gz DTDWTJFDJLFFLL-WOJBJXKFSA-N 1 0 424.593 3.550 20 30 HHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC000508853291 1003273356 /nfs/dbraw/zinc/27/33/56/1003273356.db2.gz QNXXFLIQXYWPGV-GBXCKJPGSA-N 1 0 419.573 3.780 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508861723 1003281800 /nfs/dbraw/zinc/28/18/00/1003281800.db2.gz BNLLSOAPGIFVCB-XLIONFOSSA-N 1 0 411.525 3.635 20 30 HHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508880039 1003300159 /nfs/dbraw/zinc/30/01/59/1003300159.db2.gz JPIFODWJDDODFU-HSZRJFAPSA-N 1 0 415.541 3.771 20 30 HHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508904229 1003341362 /nfs/dbraw/zinc/34/13/62/1003341362.db2.gz SBWAEJSKGOVHGM-UHFFFAOYSA-N 1 0 409.559 3.566 20 30 HHEDRO C=CCn1c(N2CC[C@H](C[N@@H+](C)CCC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000508909471 1003350162 /nfs/dbraw/zinc/35/01/62/1003350162.db2.gz ZMRNQQLBJCDGSA-QGZVFWFLSA-N 1 0 405.493 3.761 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC([N@@H+]4CCc5ccccc5C4)CC3)CC2)c1 ZINC000508911201 1003351291 /nfs/dbraw/zinc/35/12/91/1003351291.db2.gz DKAAEZAIPOOCGK-UHFFFAOYSA-N 1 0 403.501 3.778 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000508954129 1003411991 /nfs/dbraw/zinc/41/19/91/1003411991.db2.gz WWIAUBLHMMOYSK-QHCPKHFHSA-N 1 0 416.573 3.941 20 30 HHEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000508956993 1003415064 /nfs/dbraw/zinc/41/50/64/1003415064.db2.gz VUENWPWAAWSLBT-UHFFFAOYSA-N 1 0 420.561 3.535 20 30 HHEDRO COc1ccc(C[N@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1C#N ZINC000509040729 1003509950 /nfs/dbraw/zinc/50/99/50/1003509950.db2.gz VENWLSNKWZLQFQ-UHFFFAOYSA-N 1 0 408.546 3.684 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000509081834 1003539431 /nfs/dbraw/zinc/53/94/31/1003539431.db2.gz UVQSWSZOXIGKFM-OFVILXPXSA-N 1 0 406.526 3.857 20 30 HHEDRO N#Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000500245896 1003578729 /nfs/dbraw/zinc/57/87/29/1003578729.db2.gz NMHLZRVOEQJGTQ-UHFFFAOYSA-N 1 0 416.447 3.995 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1)C1CC1 ZINC000509471263 1003886515 /nfs/dbraw/zinc/88/65/15/1003886515.db2.gz WGYDWPAUTDEBJG-XMMPIXPASA-N 1 0 402.542 3.694 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512171392 1004074633 /nfs/dbraw/zinc/07/46/33/1004074633.db2.gz XICQVLZUMPIVLW-YLJYHZDGSA-N 1 0 423.561 3.505 20 30 HHEDRO Cc1cc2cc(CNC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2[nH]1 ZINC000512201000 1004101989 /nfs/dbraw/zinc/10/19/89/1004101989.db2.gz XGYSAABVDKTRCG-UHFFFAOYSA-N 1 0 401.514 3.766 20 30 HHEDRO Cc1sc(NC(=O)CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512236296 1004136926 /nfs/dbraw/zinc/13/69/26/1004136926.db2.gz GLNDXBAEMYNZEG-HSZRJFAPSA-N 1 0 408.571 3.773 20 30 HHEDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501065959 1004168287 /nfs/dbraw/zinc/16/82/87/1004168287.db2.gz BLGHQTPLBBEIDV-WOJBJXKFSA-N 1 0 405.384 3.506 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000512434206 1004300170 /nfs/dbraw/zinc/30/01/70/1004300170.db2.gz VDVJSEPPMGFMJW-QHCPKHFHSA-N 1 0 412.509 3.670 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512446827 1004308415 /nfs/dbraw/zinc/30/84/15/1004308415.db2.gz HSWQNICFQMYXEH-KBPBESRZSA-N 1 0 415.481 3.508 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1)C(C)C ZINC000510103680 1004326763 /nfs/dbraw/zinc/32/67/63/1004326763.db2.gz SAYMPRRPEJYGGL-XMMPIXPASA-N 1 0 404.558 3.767 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1)C(C)C ZINC000510103679 1004326879 /nfs/dbraw/zinc/32/68/79/1004326879.db2.gz SAYMPRRPEJYGGL-DEOSSOPVSA-N 1 0 404.558 3.767 20 30 HHEDRO N#Cc1ccc(CSc2nnc(NC(=O)NCC[NH+]3CCCCCC3)s2)cc1 ZINC000510158675 1004364937 /nfs/dbraw/zinc/36/49/37/1004364937.db2.gz BSTMOVCPEVFWLR-UHFFFAOYSA-N 1 0 416.576 3.700 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C#N ZINC000512537421 1004370101 /nfs/dbraw/zinc/37/01/01/1004370101.db2.gz SEYIGRMRMMRXQY-CBQGHPETSA-N 1 0 419.573 3.520 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1)CCCC2 ZINC000512562346 1004386962 /nfs/dbraw/zinc/38/69/62/1004386962.db2.gz UFWBGZLVTLKWDU-SFHVURJKSA-N 1 0 415.481 3.606 20 30 HHEDRO COc1cc2c(c(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c1)O[C@H](C)C2 ZINC000512624238 1004437149 /nfs/dbraw/zinc/43/71/49/1004437149.db2.gz WITFGKGAKDRGQX-MRXNPFEDSA-N 1 0 405.498 3.741 20 30 HHEDRO C=C(C)COc1cc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1OC ZINC000512705855 1004507418 /nfs/dbraw/zinc/50/74/18/1004507418.db2.gz QYKKXCRNJQEWQL-NHCUHLMSSA-N 1 0 401.595 3.641 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccco1 ZINC000510399404 1004536695 /nfs/dbraw/zinc/53/66/95/1004536695.db2.gz YUELBJQRMKZXKM-BLLLJJGKSA-N 1 0 415.437 3.578 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000501590549 1004538436 /nfs/dbraw/zinc/53/84/36/1004538436.db2.gz GEBMYSPECRIHMF-WOJBJXKFSA-N 1 0 418.541 3.788 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512755291 1004538772 /nfs/dbraw/zinc/53/87/72/1004538772.db2.gz IGJPNRXZANWMIB-CTNGQTDRSA-N 1 0 417.619 3.842 20 30 HHEDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000510411916 1004547352 /nfs/dbraw/zinc/54/73/52/1004547352.db2.gz LFOBTCAYOVXJCH-UHFFFAOYSA-N 1 0 407.562 3.934 20 30 HHEDRO N#Cc1cccc(F)c1CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000512787474 1004559791 /nfs/dbraw/zinc/55/97/91/1004559791.db2.gz IXVCEIBDRQGTAG-UHFFFAOYSA-N 1 0 415.896 3.553 20 30 HHEDRO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812353 1004574842 /nfs/dbraw/zinc/57/48/42/1004574842.db2.gz SMMCNIDMCPMQAW-GOSISDBHSA-N 1 0 409.505 3.978 20 30 HHEDRO CCOC1CC2(C1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CC[C@H](C)C3)C2 ZINC000512826245 1004584736 /nfs/dbraw/zinc/58/47/36/1004584736.db2.gz CFYPQJAOPXEPKN-KKWNJKKUSA-N 1 0 401.576 3.964 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512839929 1004600987 /nfs/dbraw/zinc/60/09/87/1004600987.db2.gz LDEDPZZNLJNBSG-INIZCTEOSA-N 1 0 420.460 3.508 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501696931 1004614860 /nfs/dbraw/zinc/61/48/60/1004614860.db2.gz KMSXAYCDLJKFNK-OFNKIYASSA-N 1 0 411.590 3.608 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)C2)n1 ZINC000510542742 1004675300 /nfs/dbraw/zinc/67/53/00/1004675300.db2.gz BULGQQNGUGUOHQ-IEIRFRATSA-N 1 0 419.573 3.594 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N)[NH+](C)C ZINC000510552529 1004689217 /nfs/dbraw/zinc/68/92/17/1004689217.db2.gz VYAQDQTXBKMIPJ-KOSHJBKYSA-N 1 0 406.530 3.783 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000513087817 1004799089 /nfs/dbraw/zinc/79/90/89/1004799089.db2.gz GOUSNTGDONHTBS-GOSISDBHSA-N 1 0 418.476 3.669 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000513107011 1004810501 /nfs/dbraw/zinc/81/05/01/1004810501.db2.gz BSFBFXWZHLIYNZ-HXUWFJFHSA-N 1 0 418.476 3.842 20 30 HHEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513174025 1004845283 /nfs/dbraw/zinc/84/52/83/1004845283.db2.gz NNYNHGXXDHZNNM-SFHVURJKSA-N 1 0 409.433 3.568 20 30 HHEDRO N#Cc1cccc(NC(=O)C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)c1 ZINC000513204037 1004859512 /nfs/dbraw/zinc/85/95/12/1004859512.db2.gz BKXKGLBOCYGHKL-FQEVSTJZSA-N 1 0 403.404 3.507 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000513210860 1004862557 /nfs/dbraw/zinc/86/25/57/1004862557.db2.gz SLHFOBCWPGJBKX-HXUWFJFHSA-N 1 0 403.404 3.507 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000510912908 1004928946 /nfs/dbraw/zinc/92/89/46/1004928946.db2.gz CJVZTTNAURLMBK-UHFFFAOYSA-N 1 0 406.515 3.672 20 30 HHEDRO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177783 1004941256 /nfs/dbraw/zinc/94/12/56/1004941256.db2.gz QZZBORNLCZHIDP-ZWKOTPCHSA-N 1 0 416.525 3.575 20 30 HHEDRO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000502200954 1004954427 /nfs/dbraw/zinc/95/44/27/1004954427.db2.gz ZIILPAFXBCDQFI-GOSISDBHSA-N 1 0 418.541 3.649 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000510970291 1004959332 /nfs/dbraw/zinc/95/93/32/1004959332.db2.gz RVDKAFAYTLBMRN-VAMGGRTRSA-N 1 0 412.578 3.989 20 30 HHEDRO CCCn1nccc1C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000502301982 1005000919 /nfs/dbraw/zinc/00/09/19/1005000919.db2.gz QASJZZIVTOQWBJ-UHFFFAOYSA-N 1 0 403.534 3.845 20 30 HHEDRO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000502335098 1005018190 /nfs/dbraw/zinc/01/81/90/1005018190.db2.gz VOCCJOMQOHJRMH-UHFFFAOYSA-N 1 0 412.437 3.809 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](c2ccnn2C)C1 ZINC000511120817 1005028586 /nfs/dbraw/zinc/02/85/86/1005028586.db2.gz MXGIVRZUGBGIAJ-CVEARBPZSA-N 1 0 411.575 3.829 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000502398686 1005057122 /nfs/dbraw/zinc/05/71/22/1005057122.db2.gz DSECFGRCTYIYEC-UHFFFAOYSA-N 1 0 419.573 3.817 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000511181919 1005062860 /nfs/dbraw/zinc/06/28/60/1005062860.db2.gz ACCBQESSMSUSKF-UHFFFAOYSA-N 1 0 412.921 3.730 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](c3cccc(Cl)c3)N3CCOCC3)CC2)cc1 ZINC000513655611 1005068549 /nfs/dbraw/zinc/06/85/49/1005068549.db2.gz NSWISPSBMSQFRX-DEOSSOPVSA-N 1 0 424.976 3.844 20 30 HHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1 ZINC000511204229 1005072574 /nfs/dbraw/zinc/07/25/74/1005072574.db2.gz VCDYJWOTKGDFOV-JOCHJYFZSA-N 1 0 411.521 3.801 20 30 HHEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000513667565 1005074500 /nfs/dbraw/zinc/07/45/00/1005074500.db2.gz SAADTBOOWGREPG-IZZNHLLZSA-N 1 0 418.585 3.796 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511214914 1005077864 /nfs/dbraw/zinc/07/78/64/1005077864.db2.gz GKYBKDDCGZFFHY-PKOBYXMFSA-N 1 0 400.523 3.945 20 30 HHEDRO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000513713605 1005093254 /nfs/dbraw/zinc/09/32/54/1005093254.db2.gz QMUQCVSMIJQRDN-KKXNLOMOSA-N 1 0 417.509 3.913 20 30 HHEDRO Cc1nc(COc2ccc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)cc2)no1 ZINC000513746032 1005106763 /nfs/dbraw/zinc/10/67/63/1005106763.db2.gz MNGUVENOUBJZNC-UHFFFAOYSA-N 1 0 404.470 3.872 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000502618014 1005143573 /nfs/dbraw/zinc/14/35/73/1005143573.db2.gz QSZUEYZMZQDJQC-RBUKOAKNSA-N 1 0 406.530 3.818 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)NCC#Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC000511420375 1005168940 /nfs/dbraw/zinc/16/89/40/1005168940.db2.gz JRUZJGYUYJIDFJ-QFIPXVFZSA-N 1 0 409.505 3.712 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 ZINC000511579808 1005232587 /nfs/dbraw/zinc/23/25/87/1005232587.db2.gz WAJOTEVJLLXRDF-FQEVSTJZSA-N 1 0 403.404 3.814 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000502856419 1005245716 /nfs/dbraw/zinc/24/57/16/1005245716.db2.gz CHWVQZDWESNKEH-UHFFFAOYSA-N 1 0 404.558 3.626 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000502877376 1005254691 /nfs/dbraw/zinc/25/46/91/1005254691.db2.gz NJTORBAUPBPSBH-RTBURBONSA-N 1 0 402.608 3.849 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000511704078 1005284461 /nfs/dbraw/zinc/28/44/61/1005284461.db2.gz WTYNZCSGDBKHJD-HSZRJFAPSA-N 1 0 413.525 3.774 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000511740309 1005301319 /nfs/dbraw/zinc/30/13/19/1005301319.db2.gz JGDJDKIVSGHSQW-BVYCBKJFSA-N 1 0 420.532 3.550 20 30 HHEDRO COc1cc2c(cc1OC)CC[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000514216031 1005317400 /nfs/dbraw/zinc/31/74/00/1005317400.db2.gz SQSFFMOOGWRZKC-UHFFFAOYSA-N 1 0 413.905 3.658 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)C2=O)cc1 ZINC000511776441 1005320810 /nfs/dbraw/zinc/32/08/10/1005320810.db2.gz KIJZNSLTZCOMDJ-QPXUXIHVSA-N 1 0 401.510 3.558 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(C)c1OC(F)F ZINC000503205530 1005368453 /nfs/dbraw/zinc/36/84/53/1005368453.db2.gz GEUJWRCJGIDSGG-UHFFFAOYSA-N 1 0 401.457 3.981 20 30 HHEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)C1 ZINC000503265380 1005380142 /nfs/dbraw/zinc/38/01/42/1005380142.db2.gz ONJYLCZUCQRKHM-NRFANRHFSA-N 1 0 419.525 3.726 20 30 HHEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000503275285 1005382188 /nfs/dbraw/zinc/38/21/88/1005382188.db2.gz LKISATQXNOXJAI-UHFFFAOYSA-N 1 0 400.473 3.713 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000503379760 1005403067 /nfs/dbraw/zinc/40/30/67/1005403067.db2.gz RGOAAPGFILZGPL-UHFFFAOYSA-N 1 0 420.435 3.730 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1cccs1 ZINC000503453839 1005424997 /nfs/dbraw/zinc/42/49/97/1005424997.db2.gz GYJUIVBLTYOMMU-KSSFIOAISA-N 1 0 409.964 3.635 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503465654 1005428810 /nfs/dbraw/zinc/42/88/10/1005428810.db2.gz XLDRWPSKBGUZEQ-IBGZPJMESA-N 1 0 417.962 3.744 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503765861 1005490864 /nfs/dbraw/zinc/49/08/64/1005490864.db2.gz QXNGPRWCTIPNCQ-QFIPXVFZSA-N 1 0 422.529 3.857 20 30 HHEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000503901239 1005507761 /nfs/dbraw/zinc/50/77/61/1005507761.db2.gz JWEYRVRUSCCCKT-JOCHJYFZSA-N 1 0 419.916 3.991 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000504046060 1005539960 /nfs/dbraw/zinc/53/99/60/1005539960.db2.gz YGOZJRIDZBPFQY-UHFFFAOYSA-N 1 0 403.567 3.906 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000504072999 1005546536 /nfs/dbraw/zinc/54/65/36/1005546536.db2.gz QXKOECNGVNHTIP-UHFFFAOYSA-N 1 0 422.529 3.949 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000504405512 1005620353 /nfs/dbraw/zinc/62/03/53/1005620353.db2.gz FJLNVFMRDYSRTM-UHFFFAOYSA-N 1 0 415.921 3.976 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)c1C#N ZINC000534056929 1006028305 /nfs/dbraw/zinc/02/83/05/1006028305.db2.gz ODENPWLQUZNKRV-UHFFFAOYSA-N 1 0 420.542 3.849 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000514554488 1006033090 /nfs/dbraw/zinc/03/30/90/1006033090.db2.gz CSNKNNRSKWTZFA-INIZCTEOSA-N 1 0 424.932 3.698 20 30 HHEDRO N#Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000514696907 1006085509 /nfs/dbraw/zinc/08/55/09/1006085509.db2.gz LOLVGRGQMVYYEN-CTNGQTDRSA-N 1 0 403.448 3.550 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@@H+]1C ZINC000514805873 1006136586 /nfs/dbraw/zinc/13/65/86/1006136586.db2.gz LANHVHDNUXQMDV-APWZRJJASA-N 1 0 402.970 3.759 20 30 HHEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C1=O ZINC000531438965 1006197572 /nfs/dbraw/zinc/19/75/72/1006197572.db2.gz QNTYARCGXJNCIU-HXUWFJFHSA-N 1 0 407.495 3.825 20 30 HHEDRO CCc1ccc([C@@H](C)NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000514925393 1006207184 /nfs/dbraw/zinc/20/71/84/1006207184.db2.gz YCGRDDXZYWWEKW-HXUWFJFHSA-N 1 0 404.558 3.506 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccccc1 ZINC000515386612 1006430660 /nfs/dbraw/zinc/43/06/60/1006430660.db2.gz FIDYCBHLYRVGEG-QGZVFWFLSA-N 1 0 406.408 3.924 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3)cc2)C1 ZINC000515759214 1006649083 /nfs/dbraw/zinc/64/90/83/1006649083.db2.gz CKIIWEFTLUBMHF-KDURUIRLSA-N 1 0 411.571 3.656 20 30 HHEDRO CN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000538408588 1006675863 /nfs/dbraw/zinc/67/58/63/1006675863.db2.gz XXZTYUWTNIOBFW-RPWUZVMVSA-N 1 0 410.512 3.836 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000515806117 1006688112 /nfs/dbraw/zinc/68/81/12/1006688112.db2.gz PADXCMFXVGBNPQ-UHFFFAOYSA-N 1 0 424.564 3.731 20 30 HHEDRO CC(C)Cn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C(F)F ZINC000534735776 1006725572 /nfs/dbraw/zinc/72/55/72/1006725572.db2.gz QRFOIGROCJTKRA-UHFFFAOYSA-N 1 0 403.477 3.552 20 30 HHEDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000532227808 1006734935 /nfs/dbraw/zinc/73/49/35/1006734935.db2.gz XRUXONIQUSTUSQ-WMZOPIPTSA-N 1 0 410.493 3.682 20 30 HHEDRO COc1cccc(N2CC[C@@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000538500262 1006768339 /nfs/dbraw/zinc/76/83/39/1006768339.db2.gz SNAOMUGAAMTHPO-OAQYLSRUSA-N 1 0 401.514 3.841 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)[NH+]1CCCC1 ZINC000515970454 1006798032 /nfs/dbraw/zinc/79/80/32/1006798032.db2.gz UCQAVYACZAFKOQ-QPPBQGQZSA-N 1 0 421.541 3.924 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1C#N ZINC000516151138 1006919681 /nfs/dbraw/zinc/91/96/81/1006919681.db2.gz HBNSGCJCXBIZPE-UHFFFAOYSA-N 1 0 414.922 3.771 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)Cc1ccc(C#N)cc1 ZINC000532499327 1006940111 /nfs/dbraw/zinc/94/01/11/1006940111.db2.gz OXAHBWBPGNBZNV-UHFFFAOYSA-N 1 0 415.541 3.577 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000538663409 1006940707 /nfs/dbraw/zinc/94/07/07/1006940707.db2.gz YKPCZTCNMPUUJP-OAQYLSRUSA-N 1 0 417.513 3.952 20 30 HHEDRO COCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(C#N)cc1 ZINC000532524158 1006961342 /nfs/dbraw/zinc/96/13/42/1006961342.db2.gz SHNRBYMZUUCLTN-UHFFFAOYSA-N 1 0 406.442 3.813 20 30 HHEDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532557054 1006991425 /nfs/dbraw/zinc/99/14/25/1006991425.db2.gz WWQZYBOECRRTPR-UHFFFAOYSA-N 1 0 408.458 3.647 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C[C@@H]1C ZINC000532568719 1007000893 /nfs/dbraw/zinc/00/08/93/1007000893.db2.gz TWPGPWOJCXXTAI-PGRDOPGGSA-N 1 0 421.589 3.768 20 30 HHEDRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC(C)(C)[NH2+]1 ZINC000516298629 1007002940 /nfs/dbraw/zinc/00/29/40/1007002940.db2.gz QRZBPRFHBVCMEB-UHFFFAOYSA-N 1 0 420.513 3.714 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532572540 1007003597 /nfs/dbraw/zinc/00/35/97/1007003597.db2.gz BZVRLHUSTNMGPR-MOPGFXCFSA-N 1 0 400.592 3.827 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000516305086 1007005221 /nfs/dbraw/zinc/00/52/21/1007005221.db2.gz COROPTDDACUDBT-LJQANCHMSA-N 1 0 421.541 3.738 20 30 HHEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000516305314 1007005565 /nfs/dbraw/zinc/00/55/65/1007005565.db2.gz JGPWZASZNZYVLK-UHFFFAOYSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000516369886 1007046465 /nfs/dbraw/zinc/04/64/65/1007046465.db2.gz UKMRCFBETIXCKK-OAQYLSRUSA-N 1 0 419.573 3.516 20 30 HHEDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000532673470 1007087534 /nfs/dbraw/zinc/08/75/34/1007087534.db2.gz OORPYBRTRKKFHG-JWQCQUIFSA-N 1 0 402.538 3.584 20 30 HHEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000538846253 1007119647 /nfs/dbraw/zinc/11/96/47/1007119647.db2.gz YDXXMZQICFNEPU-UHFFFAOYSA-N 1 0 418.950 3.534 20 30 HHEDRO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000532901464 1007278827 /nfs/dbraw/zinc/27/88/27/1007278827.db2.gz MIHOOLZOQFBFHR-KNQAVFIVSA-N 1 0 422.598 3.880 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000535255722 1007306960 /nfs/dbraw/zinc/30/69/60/1007306960.db2.gz MHMIPKCJMLOUIL-SFHVURJKSA-N 1 0 420.435 3.794 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000532942257 1007313056 /nfs/dbraw/zinc/31/30/56/1007313056.db2.gz UQJVKTPFFVUBGJ-JOCHJYFZSA-N 1 0 422.916 3.988 20 30 HHEDRO N#Cc1c(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)sc2c1CCCCC2 ZINC000532971853 1007339900 /nfs/dbraw/zinc/33/99/00/1007339900.db2.gz LITFKQKZDPUNLP-QGZVFWFLSA-N 1 0 400.592 3.777 20 30 HHEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000516942254 1007348158 /nfs/dbraw/zinc/34/81/58/1007348158.db2.gz JUJBIGVYLZRYJS-UHFFFAOYSA-N 1 0 410.587 3.665 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccc(-c4ccccc4C#N)cc3)cc2)CC1 ZINC000539096810 1007386611 /nfs/dbraw/zinc/38/66/11/1007386611.db2.gz DQDKTCKMPRMWDW-UHFFFAOYSA-N 1 0 424.548 3.903 20 30 HHEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533045019 1007406045 /nfs/dbraw/zinc/40/60/45/1007406045.db2.gz JGJKVBYKJYIZQS-QGZVFWFLSA-N 1 0 400.910 3.770 20 30 HHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000533063837 1007426056 /nfs/dbraw/zinc/42/60/56/1007426056.db2.gz RRPWJYKSGDFLQF-GOSISDBHSA-N 1 0 403.320 3.671 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000517132929 1007447990 /nfs/dbraw/zinc/44/79/90/1007447990.db2.gz CPRKEHKDKQJADX-PXDATVDWSA-N 1 0 406.526 3.857 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cnc(OC)c(Cl)c1 ZINC000533091092 1007451449 /nfs/dbraw/zinc/45/14/49/1007451449.db2.gz CEEITIFIWNIBOB-UHFFFAOYSA-N 1 0 407.971 3.842 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC000517149059 1007462071 /nfs/dbraw/zinc/46/20/71/1007462071.db2.gz QTDNVSPZZTUMHE-HSZRJFAPSA-N 1 0 410.562 3.810 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOCc1ccc(Cl)cc1 ZINC000533158166 1007495865 /nfs/dbraw/zinc/49/58/65/1007495865.db2.gz MVBCXGHJWWFIOM-UHFFFAOYSA-N 1 0 414.937 3.502 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000539226863 1007519341 /nfs/dbraw/zinc/51/93/41/1007519341.db2.gz PVVCKSJHWFOKAN-BXKMTCNYSA-N 1 0 424.520 3.712 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000539226883 1007519639 /nfs/dbraw/zinc/51/96/39/1007519639.db2.gz PVVCKSJHWFOKAN-OSPHWJPCSA-N 1 0 424.520 3.712 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000533221258 1007545732 /nfs/dbraw/zinc/54/57/32/1007545732.db2.gz RXMSBHNIGXYSME-FQEVSTJZSA-N 1 0 408.521 3.669 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000517304361 1007552762 /nfs/dbraw/zinc/55/27/62/1007552762.db2.gz GNOGZVBETHYZAM-IBGZPJMESA-N 1 0 424.372 3.755 20 30 HHEDRO CC(C)C[N@H+](CCc1ccccc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000533249739 1007568353 /nfs/dbraw/zinc/56/83/53/1007568353.db2.gz QXUDCQQSASJATE-UHFFFAOYSA-N 1 0 401.514 3.883 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)ccc1OCc1cccc(C#N)c1 ZINC000533265177 1007581384 /nfs/dbraw/zinc/58/13/84/1007581384.db2.gz YSYUYAHOSLMNGB-SFHVURJKSA-N 1 0 407.514 3.623 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000539288388 1007585193 /nfs/dbraw/zinc/58/51/93/1007585193.db2.gz HEXHWCOBNCOMIZ-RBUKOAKNSA-N 1 0 417.513 3.867 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000535673169 1007693965 /nfs/dbraw/zinc/69/39/65/1007693965.db2.gz NFBZUZGJEKNHBP-UHFFFAOYSA-N 1 0 406.530 3.779 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000533386797 1007698719 /nfs/dbraw/zinc/69/87/19/1007698719.db2.gz WKBJSTUOICFZML-SFHVURJKSA-N 1 0 400.542 3.904 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000539491578 1007803793 /nfs/dbraw/zinc/80/37/93/1007803793.db2.gz 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HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCOc4cc(F)ccc43)CC2)cc1 ZINC000539668392 1007987412 /nfs/dbraw/zinc/98/74/12/1007987412.db2.gz SAKBJRGZIGJIDV-QFIPXVFZSA-N 1 0 422.504 3.829 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000517852838 1008013879 /nfs/dbraw/zinc/01/38/79/1008013879.db2.gz DLXKJASZNVIMON-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO C=C(C)[C@H](CC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)OCC ZINC000533689432 1008014136 /nfs/dbraw/zinc/01/41/36/1008014136.db2.gz BXYIGJKPPNFGSN-VWLOTQADSA-N 1 0 421.585 3.996 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000536034900 1008068323 /nfs/dbraw/zinc/06/83/23/1008068323.db2.gz HAEFVOVDKSQEKW-GHTZIAJQSA-N 1 0 407.514 3.544 20 30 HHEDRO CC[N@H+](CCC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1)CC(C)C ZINC000540198959 1008332775 /nfs/dbraw/zinc/33/27/75/1008332775.db2.gz NDDOUTBHIZMZCI-HXUWFJFHSA-N 1 0 402.608 3.805 20 30 HHEDRO COC1CC[NH+](C(C)(C)CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000518614659 1008365910 /nfs/dbraw/zinc/36/59/10/1008365910.db2.gz SSHFOIBAMDFVPB-UHFFFAOYSA-N 1 0 400.567 3.615 20 30 HHEDRO COc1ccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1F ZINC000540343176 1008389941 /nfs/dbraw/zinc/38/99/41/1008389941.db2.gz OOHSTLIAJHOUJG-AWEZNQCLSA-N 1 0 408.395 3.672 20 30 HHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCO2 ZINC000540376308 1008406038 /nfs/dbraw/zinc/40/60/38/1008406038.db2.gz PBEPNKHEWFYNCV-CXAGYDPISA-N 1 0 411.527 3.948 20 30 HHEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000518754749 1008415034 /nfs/dbraw/zinc/41/50/34/1008415034.db2.gz ZKDZBLIGSXGSKA-QFIPXVFZSA-N 1 0 408.502 3.829 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000540398160 1008416439 /nfs/dbraw/zinc/41/64/39/1008416439.db2.gz NLFLMKPGKRKUBP-IAGOWNOFSA-N 1 0 413.481 3.883 20 30 HHEDRO CC1(c2ccccc2)CC[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000540546476 1008476184 /nfs/dbraw/zinc/47/61/84/1008476184.db2.gz PDQZLBKWCQVKRV-OAQYLSRUSA-N 1 0 422.598 3.511 20 30 HHEDRO CC[C@@H](C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000540558486 1008481423 /nfs/dbraw/zinc/48/14/23/1008481423.db2.gz HMJRSMDHDKENBN-CTNGQTDRSA-N 1 0 410.587 3.758 20 30 HHEDRO COCCOc1cc2c(cc1C[NH2+]C1CCC(Oc3ccccc3C#N)CC1)OCO2 ZINC000518976514 1008492715 /nfs/dbraw/zinc/49/27/15/1008492715.db2.gz FIELCMKPHZSVAT-UHFFFAOYSA-N 1 0 424.497 3.792 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000548957246 1008540584 /nfs/dbraw/zinc/54/05/84/1008540584.db2.gz FLULRMUSRPGRDJ-XZOQPEGZSA-N 1 0 422.621 3.611 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000548957240 1008541047 /nfs/dbraw/zinc/54/10/47/1008541047.db2.gz FLULRMUSRPGRDJ-DHIUTWEWSA-N 1 0 422.621 3.611 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)c2)c1 ZINC000519184057 1008584533 /nfs/dbraw/zinc/58/45/33/1008584533.db2.gz VYDDKOMOFIMHPM-QFIPXVFZSA-N 1 0 417.513 3.903 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)CC1 ZINC000519290033 1008701427 /nfs/dbraw/zinc/70/14/27/1008701427.db2.gz KNDQWZBHTPCZRN-UHFFFAOYSA-N 1 0 409.983 3.936 20 30 HHEDRO N#Cc1cnn(-c2ccc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)cc2)c1N ZINC000545679104 1008771713 /nfs/dbraw/zinc/77/17/13/1008771713.db2.gz OBMXEKNZJDRQDH-UHFFFAOYSA-N 1 0 411.469 3.639 20 30 HHEDRO N#Cc1nnc2ccccc2c1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549244158 1008815363 /nfs/dbraw/zinc/81/53/63/1008815363.db2.gz DCMCBJBLJYEIOM-FQEVSTJZSA-N 1 0 413.525 3.842 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549281113 1008851122 /nfs/dbraw/zinc/85/11/22/1008851122.db2.gz WFSPKBYFRNFFNU-QFIPXVFZSA-N 1 0 416.573 3.798 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C 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YHNDFTQWOGIQRL-UHFFFAOYSA-N 1 0 408.527 3.716 20 30 HHEDRO CC1CC[NH+](CCCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543882668 1009458039 /nfs/dbraw/zinc/45/80/39/1009458039.db2.gz UNDNUTXEFDKCAJ-UHFFFAOYSA-N 1 0 400.914 3.641 20 30 HHEDRO C[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000520326948 1009458242 /nfs/dbraw/zinc/45/82/42/1009458242.db2.gz WYNXZXBKYYGJFR-SFHVURJKSA-N 1 0 400.482 3.996 20 30 HHEDRO CC1(C)CC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC(C)(C)[NH2+]1 ZINC000543883874 1009459857 /nfs/dbraw/zinc/45/98/57/1009459857.db2.gz CFJAZYUPMNFTIY-UHFFFAOYSA-N 1 0 400.914 3.828 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H]1C ZINC000543889331 1009467322 /nfs/dbraw/zinc/46/73/22/1009467322.db2.gz UJNLOHCLHYOVMN-RHSMWYFYSA-N 1 0 400.914 3.734 20 30 HHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520461607 1009570641 /nfs/dbraw/zinc/57/06/41/1009570641.db2.gz MRAOYFFRAIGJBY-OAQYLSRUSA-N 1 0 418.501 3.750 20 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CN(C(=O)c1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000544399098 1010019284 /nfs/dbraw/zinc/01/92/84/1010019284.db2.gz HTLBBORGLPWSEE-LJQANCHMSA-N 1 0 410.905 3.630 20 30 HHEDRO N#CC1(NC(=O)C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CCCCC1 ZINC000544407746 1010027451 /nfs/dbraw/zinc/02/74/51/1010027451.db2.gz NDEGDCXAGGXRFI-NRFANRHFSA-N 1 0 419.504 3.849 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000547092757 1010043106 /nfs/dbraw/zinc/04/31/06/1010043106.db2.gz ASMMWEBIJIRDKL-UHFFFAOYSA-N 1 0 404.518 3.845 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000544452450 1010076567 /nfs/dbraw/zinc/07/65/67/1010076567.db2.gz RPMRTGATDAYOAR-CABCVRRESA-N 1 0 423.007 3.913 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550678691 1010097035 /nfs/dbraw/zinc/09/70/35/1010097035.db2.gz OWYYYIYXJMQKJX-OUWQEXSBSA-N 1 0 418.875 3.852 20 30 HHEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(COc4ccc(C#N)cc4)n3)cc2Cl)CC1 ZINC000547183049 1010127484 /nfs/dbraw/zinc/12/74/84/1010127484.db2.gz OOMNTPRCVVHGCA-UHFFFAOYSA-N 1 0 423.904 3.983 20 30 HHEDRO C=CCN1C(=O)c2ccc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)cc2C1=O ZINC000544609629 1010235792 /nfs/dbraw/zinc/23/57/92/1010235792.db2.gz LQWJFDWMIBCGMH-UHFFFAOYSA-N 1 0 414.465 3.781 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000521442107 1010376852 /nfs/dbraw/zinc/37/68/52/1010376852.db2.gz RYVUFGAJZRCNFD-UHFFFAOYSA-N 1 0 401.432 3.854 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)CC1 ZINC000521657217 1010529192 /nfs/dbraw/zinc/52/91/92/1010529192.db2.gz XHYYYEFFYKGUPS-UHFFFAOYSA-N 1 0 417.509 3.645 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000521663127 1010534561 /nfs/dbraw/zinc/53/45/61/1010534561.db2.gz JOPYTZASRXAEAI-SFHVURJKSA-N 1 0 410.453 3.681 20 30 HHEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000521685348 1010549227 /nfs/dbraw/zinc/54/92/27/1010549227.db2.gz XABKXLAUEURWIG-UHFFFAOYSA-N 1 0 402.420 3.709 20 30 HHEDRO COC1CCN(C2(C[NH2+][C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CCCC2)CC1 ZINC000521689140 1010553297 /nfs/dbraw/zinc/55/32/97/1010553297.db2.gz GTEHWYLNQKNBJB-INIZCTEOSA-N 1 0 418.969 3.552 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521740435 1010584187 /nfs/dbraw/zinc/58/41/87/1010584187.db2.gz ZNRMDMFFWMVZFG-HKUYNNGSSA-N 1 0 422.554 3.583 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)ccc1OC ZINC000521832877 1010645749 /nfs/dbraw/zinc/64/57/49/1010645749.db2.gz KXILFXFUAFWEAD-QHCPKHFHSA-N 1 0 409.574 3.728 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1 ZINC000551588549 1010681034 /nfs/dbraw/zinc/68/10/34/1010681034.db2.gz UBAZBQBHGVKMFN-XMMPIXPASA-N 1 0 405.498 3.766 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000551639738 1010714324 /nfs/dbraw/zinc/71/43/24/1010714324.db2.gz HBMUPMGCCOPJGR-GOSISDBHSA-N 1 0 419.978 3.644 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000521960181 1010738587 /nfs/dbraw/zinc/73/85/87/1010738587.db2.gz JMYVBFLBYXMLKC-IBGZPJMESA-N 1 0 405.542 3.884 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC000521964218 1010741340 /nfs/dbraw/zinc/74/13/40/1010741340.db2.gz ZLDDKAXEJQUVCS-UHFFFAOYSA-N 1 0 416.481 3.616 20 30 HHEDRO C=CCc1cc(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1O ZINC000522212749 1010868432 /nfs/dbraw/zinc/86/84/32/1010868432.db2.gz VXMXPXNZSXIIIG-UHFFFAOYSA-N 1 0 417.571 3.990 20 30 HHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000540592520 1011249040 /nfs/dbraw/zinc/24/90/40/1011249040.db2.gz UOGXHBIKJSCVAN-IBGZPJMESA-N 1 0 404.558 3.841 20 30 HHEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000540779066 1011436645 /nfs/dbraw/zinc/43/66/45/1011436645.db2.gz SABIWPISENNDSX-CQSZACIVSA-N 1 0 406.349 3.842 20 30 HHEDRO N#CC1(c2ccc(C(=O)NCCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000540783496 1011442845 /nfs/dbraw/zinc/44/28/45/1011442845.db2.gz FWIACPMAOCWSHS-UHFFFAOYSA-N 1 0 416.569 3.570 20 30 HHEDRO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000540806167 1011467802 /nfs/dbraw/zinc/46/78/02/1011467802.db2.gz MELPRMCQIRWFLO-GOTSBHOMSA-N 1 0 408.590 3.651 20 30 HHEDRO Cc1ccc(-c2nnco2)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000523030096 1011498423 /nfs/dbraw/zinc/49/84/23/1011498423.db2.gz DKMSURBAXHCTNJ-UHFFFAOYSA-N 1 0 416.485 3.657 20 30 HHEDRO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000523049046 1011518276 /nfs/dbraw/zinc/51/82/76/1011518276.db2.gz KYSUFDPCKKMZIY-UHFFFAOYSA-N 1 0 420.513 3.526 20 30 HHEDRO Cc1sc2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)[nH]c(=O)c2c1C ZINC000536322155 1011519136 /nfs/dbraw/zinc/51/91/36/1011519136.db2.gz WVXMLKZZKNGLQN-UHFFFAOYSA-N 1 0 407.543 3.593 20 30 HHEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000540858370 1011526526 /nfs/dbraw/zinc/52/65/26/1011526526.db2.gz CEYYIZHOUVSFIK-FQEVSTJZSA-N 1 0 407.514 3.923 20 30 HHEDRO COCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000536428285 1011647916 /nfs/dbraw/zinc/64/79/16/1011647916.db2.gz YDDOPEXVCSIOHN-UHFFFAOYSA-N 1 0 413.905 3.845 20 30 HHEDRO C[N@H+](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)Cc1ccccc1 ZINC000541100993 1011747794 /nfs/dbraw/zinc/74/77/94/1011747794.db2.gz RUAJTSLMBJMORV-UHFFFAOYSA-N 1 0 408.893 3.651 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(C2CC2)n1C1CC1 ZINC000541172253 1011844651 /nfs/dbraw/zinc/84/46/51/1011844651.db2.gz LQGQMVMMQFTJBY-UHFFFAOYSA-N 1 0 413.595 3.589 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000523538940 1012070120 /nfs/dbraw/zinc/07/01/20/1012070120.db2.gz ZWRHAVUVFGOMQP-HXUWFJFHSA-N 1 0 405.546 3.639 20 30 HHEDRO CN1C(=O)C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000552061900 1012081642 /nfs/dbraw/zinc/08/16/42/1012081642.db2.gz DXKDURSIDZDHHH-FYYLOGMGSA-N 1 0 408.933 3.742 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536942841 1012238994 /nfs/dbraw/zinc/23/89/94/1012238994.db2.gz XBUVUSLTBZHVGZ-UXHICEINSA-N 1 0 408.949 3.564 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536943550 1012242271 /nfs/dbraw/zinc/24/22/71/1012242271.db2.gz SSHJWMSDTGTRDH-SFTDATJTSA-N 1 0 422.976 3.954 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C#N)ccc1OCCOC ZINC000541499743 1012279566 /nfs/dbraw/zinc/27/95/66/1012279566.db2.gz CLJHUWBCEWALGS-RTBURBONSA-N 1 0 402.539 3.606 20 30 HHEDRO CC(C)[C@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCN(C)CC1 ZINC000552280246 1012294554 /nfs/dbraw/zinc/29/45/54/1012294554.db2.gz ZVZZQELOJVHWAK-QHCPKHFHSA-N 1 0 421.545 3.744 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541590578 1012381766 /nfs/dbraw/zinc/38/17/66/1012381766.db2.gz XJJSQZXTAQKEAT-NFBKMPQASA-N 1 0 407.493 3.561 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[NH2+]C1(c3ccccc3)CC1)CCCC2 ZINC000537057494 1012389649 /nfs/dbraw/zinc/38/96/49/1012389649.db2.gz FVELMIHRJBOICF-IBGZPJMESA-N 1 0 418.541 3.635 20 30 HHEDRO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000541640960 1012458131 /nfs/dbraw/zinc/45/81/31/1012458131.db2.gz XRZWYHBLKCSIRG-CYBMUJFWSA-N 1 0 421.364 3.985 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000541690131 1012531940 /nfs/dbraw/zinc/53/19/40/1012531940.db2.gz FREBKFWVYONORI-VVBPWWLESA-N 1 0 416.443 3.716 20 30 HHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(CC#N)cc3)cc2)C[C@H]1C ZINC000537140983 1012533116 /nfs/dbraw/zinc/53/31/16/1012533116.db2.gz CZYOXYHEGMNCGX-WOJBJXKFSA-N 1 0 405.542 3.692 20 30 HHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)ccc2NC1=O ZINC000537154421 1012549848 /nfs/dbraw/zinc/54/98/48/1012549848.db2.gz LRWJQKXOWIKXJS-XIKOKIGWSA-N 1 0 412.877 3.610 20 30 HHEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)ccc2NC1=O ZINC000537156738 1012552672 /nfs/dbraw/zinc/55/26/72/1012552672.db2.gz WEBKMWNVVLJPNE-KZULUSFZSA-N 1 0 412.877 3.610 20 30 HHEDRO CC(C)(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1 ZINC000537165516 1012567302 /nfs/dbraw/zinc/56/73/02/1012567302.db2.gz JBKXJKUGYTWXGQ-FQEVSTJZSA-N 1 0 410.587 3.758 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000541717665 1012568596 /nfs/dbraw/zinc/56/85/96/1012568596.db2.gz CIGZLKBANSCOQD-GOSISDBHSA-N 1 0 424.520 3.934 20 30 HHEDRO N#Cc1ccc(NC2CC2)c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000552576671 1012583413 /nfs/dbraw/zinc/58/34/13/1012583413.db2.gz LBJPUQPCFKLYOK-UHFFFAOYSA-N 1 0 403.530 3.673 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000537295822 1012754124 /nfs/dbraw/zinc/75/41/24/1012754124.db2.gz REVDYUHVYJVONX-JOCHJYFZSA-N 1 0 422.960 3.961 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000541906391 1012765964 /nfs/dbraw/zinc/76/59/64/1012765964.db2.gz GIDPSYKWEOLTES-IRXDYDNUSA-N 1 0 412.513 3.763 20 30 HHEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000537369567 1012842461 /nfs/dbraw/zinc/84/24/61/1012842461.db2.gz SZQJHOBFHCHGBG-OALUTQOASA-N 1 0 406.452 3.929 20 30 HHEDRO C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000537429767 1012916717 /nfs/dbraw/zinc/91/67/17/1012916717.db2.gz CPYJQVQMMAORDM-QGZVFWFLSA-N 1 0 406.505 3.624 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542029050 1012925623 /nfs/dbraw/zinc/92/56/23/1012925623.db2.gz YIPZUTCUYGESDP-WBVHZDCISA-N 1 0 410.497 3.658 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542030161 1012926607 /nfs/dbraw/zinc/92/66/07/1012926607.db2.gz NNRBGOPWORVXAW-UHFFFAOYSA-N 1 0 422.920 3.993 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)c1ccccc1 ZINC000542034894 1012933772 /nfs/dbraw/zinc/93/37/72/1012933772.db2.gz OHAFIFFRHMGOCL-IBGZPJMESA-N 1 0 408.893 3.822 20 30 HHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)c2ccc(C#N)cc2F)CCCC1)c1ccccc1 ZINC000524149170 1012935784 /nfs/dbraw/zinc/93/57/84/1012935784.db2.gz DHGHCJBZFIEBBI-MRXNPFEDSA-N 1 0 401.507 3.639 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](CCOc2cccc(Br)c2)CC1 ZINC000524156347 1012946264 /nfs/dbraw/zinc/94/62/64/1012946264.db2.gz XTMNPELMNBPNEW-UHFFFAOYSA-N 1 0 400.320 3.912 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(=O)OC)c1ccsc1 ZINC000537511130 1013022752 /nfs/dbraw/zinc/02/27/52/1013022752.db2.gz JFAKNUWZBCFAID-KRWDZBQOSA-N 1 0 406.577 3.560 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000553060679 1013033362 /nfs/dbraw/zinc/03/33/62/1013033362.db2.gz JMTPXVVPHBLSNJ-COPCDDAFSA-N 1 0 420.532 3.693 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(C)c2)c1 ZINC000729668756 1071784596 /nfs/dbraw/zinc/78/45/96/1071784596.db2.gz OQRICATXIHBCHF-UHFFFAOYSA-O 1 0 413.450 3.852 20 30 HHEDRO CCc1ccc(NC(=S)C(C(=O)c2cc(C(=O)OC)co2)[n+]2ccccc2)cc1 ZINC000729668286 1071786149 /nfs/dbraw/zinc/78/61/49/1071786149.db2.gz GCIALHTXHJOZIO-UHFFFAOYSA-O 1 0 409.487 3.967 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccc3c(c2)CCC3)[n+]2ccccc2)c1 ZINC000729670750 1071788784 /nfs/dbraw/zinc/78/87/84/1071788784.db2.gz XXWXWPRLQFLQMG-UHFFFAOYSA-O 1 0 421.498 3.893 20 30 HHEDRO C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212038840 1071923805 /nfs/dbraw/zinc/92/38/05/1071923805.db2.gz IOWSPDKLYQXDPM-VFNWGFHPSA-N 1 0 411.465 3.509 20 30 HHEDRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001212058464 1071940074 /nfs/dbraw/zinc/94/00/74/1071940074.db2.gz IUCVSSSZFBIXBG-OALUTQOASA-N 1 0 409.534 3.861 20 30 HHEDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212054241 1071936522 /nfs/dbraw/zinc/93/65/22/1071936522.db2.gz XVSPWZXWVKZXPL-GKCIPKSASA-N 1 0 403.486 3.798 20 30 HHEDRO COc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@]3(C1)COCCN(c1cccc(C#N)c1)C3)C2 ZINC001168272637 1072076523 /nfs/dbraw/zinc/07/65/23/1072076523.db2.gz ILXOOHFUFKIOBH-AOYPEHQESA-N 1 0 417.553 3.653 20 30 HHEDRO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@]3(C1)COCCN(c1cccc(C#N)c1)C3)C2 ZINC001168272639 1072078823 /nfs/dbraw/zinc/07/88/23/1072078823.db2.gz ILXOOHFUFKIOBH-AZGAKELHSA-N 1 0 417.553 3.653 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2noc(C(C)C)n2)CC1)C(C)C ZINC000487836339 1072098900 /nfs/dbraw/zinc/09/89/00/1072098900.db2.gz MODYYKSLGPHKSX-LJQANCHMSA-N 1 0 403.571 3.781 20 30 HHEDRO COc1ccc2c(c1)[C@@H]([N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1)CCO2 ZINC000536740639 1072195255 /nfs/dbraw/zinc/19/52/55/1072195255.db2.gz FJJDWJPPEIRISI-QFIPXVFZSA-N 1 0 407.514 3.783 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccc(OC)cc3)cc2F)c1C#N ZINC000760304560 1072232962 /nfs/dbraw/zinc/23/29/62/1072232962.db2.gz OQGOEXVZAXSDLQ-UHFFFAOYSA-N 1 0 407.449 3.500 20 30 HHEDRO N#CCOc1cccc(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000760387904 1072303358 /nfs/dbraw/zinc/30/33/58/1072303358.db2.gz VUOVDWVJSXGXNL-NRFANRHFSA-N 1 0 411.933 3.956 20 30 HHEDRO C=CCOc1ccccc1C(=O)O[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000913367942 1072382606 /nfs/dbraw/zinc/38/26/06/1072382606.db2.gz GVTFRWOMTWZWBV-LJQANCHMSA-N 1 0 422.525 3.578 20 30 HHEDRO C[NH+]1CCC(CNC(=S)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000760485934 1072391813 /nfs/dbraw/zinc/39/18/13/1072391813.db2.gz VCOTUKHREWMAJS-UHFFFAOYSA-N 1 0 412.534 3.905 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)C2)c(F)c1 ZINC000586891891 1072474253 /nfs/dbraw/zinc/47/42/53/1072474253.db2.gz SLCXXUKDRZPHIF-JOCHJYFZSA-N 1 0 420.532 3.552 20 30 HHEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C12CCC2 ZINC001168337003 1072514542 /nfs/dbraw/zinc/51/45/42/1072514542.db2.gz CATCZPIKYDRSMY-PMACEKPBSA-N 1 0 414.981 3.807 20 30 HHEDRO CC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587295774 1072568639 /nfs/dbraw/zinc/56/86/39/1072568639.db2.gz NOELPXYHBPHLLY-HXUWFJFHSA-N 1 0 414.981 3.905 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000571474128 1072631781 /nfs/dbraw/zinc/63/17/81/1072631781.db2.gz CWWJWWILASFJGA-LIRRHRJNSA-N 1 0 403.404 3.955 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000587732802 1072657547 /nfs/dbraw/zinc/65/75/47/1072657547.db2.gz UMDKYZLSSWBZGV-DNVFCKCGSA-N 1 0 420.557 3.617 20 30 HHEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](Nc1cccc[n+]1[O-])c1ccnc2ccc(OC)cc21 ZINC001168381806 1072819198 /nfs/dbraw/zinc/81/91/98/1072819198.db2.gz IAXFJZWDEWUEBJ-NJLIDXMJSA-N 1 0 416.525 3.926 20 30 HHEDRO C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[NH+](CC)CC1 ZINC000554930565 1072977372 /nfs/dbraw/zinc/97/73/72/1072977372.db2.gz PFLJBSGSVPZOLF-UHFFFAOYSA-N 1 0 403.530 3.852 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555132873 1073184167 /nfs/dbraw/zinc/18/41/67/1073184167.db2.gz NHZZEQVLPIGDEP-AEFFLSMTSA-N 1 0 406.914 3.776 20 30 HHEDRO CCN1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555132876 1073184236 /nfs/dbraw/zinc/18/42/36/1073184236.db2.gz NHZZEQVLPIGDEP-WMZOPIPTSA-N 1 0 406.914 3.776 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000588780335 1073206289 /nfs/dbraw/zinc/20/62/89/1073206289.db2.gz VSMSULCDKKLNMU-DNQXCXABSA-N 1 0 420.557 3.733 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000555238340 1073271198 /nfs/dbraw/zinc/27/11/98/1073271198.db2.gz NCJQJIOOIWYKQB-UHFFFAOYSA-N 1 0 408.575 3.862 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555261517 1073294720 /nfs/dbraw/zinc/29/47/20/1073294720.db2.gz YZKJIWZGYGPMMI-UHFFFAOYSA-N 1 0 401.942 3.858 20 30 HHEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](Nc1ccc(N)nn1)c1ccnc2ccc(OC)cc21 ZINC001168384586 1073307424 /nfs/dbraw/zinc/30/74/24/1073307424.db2.gz SEVDYXOTJRGBEU-GSZISWOESA-N 1 0 416.529 3.665 20 30 HHEDRO C=C(C)Cn1c(COCC)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000555285582 1073308901 /nfs/dbraw/zinc/30/89/01/1073308901.db2.gz QAOMAJWVXSDAAN-UHFFFAOYSA-N 1 0 405.546 3.866 20 30 HHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000555316279 1073329329 /nfs/dbraw/zinc/32/93/29/1073329329.db2.gz LOVOSCMOEOJZDZ-WMLDXEAASA-N 1 0 419.319 3.614 20 30 HHEDRO CC(=O)NCC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCSCC1 ZINC000555365472 1073375243 /nfs/dbraw/zinc/37/52/43/1073375243.db2.gz MIIAAIRXTILXSF-UHFFFAOYSA-N 1 0 423.582 3.971 20 30 HHEDRO CCc1nocc1C[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000555659485 1073712447 /nfs/dbraw/zinc/71/24/47/1073712447.db2.gz RDMPKEBGIAHKPT-UHFFFAOYSA-N 1 0 409.490 3.629 20 30 HHEDRO Cc1sc(C2([NH2+]CCC(=O)N(C)CCC#N)CCC2)nc1-c1ccccc1F ZINC000555772824 1073815540 /nfs/dbraw/zinc/81/55/40/1073815540.db2.gz GGBXFMXXGHZJCO-UHFFFAOYSA-N 1 0 400.523 3.989 20 30 HHEDRO C=CCN(CC=C)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000573407174 1074398803 /nfs/dbraw/zinc/39/88/03/1074398803.db2.gz HHNLDLRWYZZSCA-VCYXJBJXSA-N 1 0 415.965 3.571 20 30 HHEDRO C[C@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000573626731 1074594209 /nfs/dbraw/zinc/59/42/09/1074594209.db2.gz NNPJQFNBOUKWLP-RBBKRZOGSA-N 1 0 417.557 3.701 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000592358856 1074735774 /nfs/dbraw/zinc/73/57/74/1074735774.db2.gz NGVLEZQRZXZHBE-UHFFFAOYSA-N 1 0 411.477 3.713 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1 ZINC000592359038 1074737165 /nfs/dbraw/zinc/73/71/65/1074737165.db2.gz ABWXZDVSAYCTBL-UHFFFAOYSA-N 1 0 407.514 3.883 20 30 HHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000574553457 1075290567 /nfs/dbraw/zinc/29/05/67/1075290567.db2.gz FVEGWNMPKJVDLH-HNNXBMFYSA-N 1 0 404.436 3.605 20 30 HHEDRO C[NH+](C)Cc1ccnc(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)c1 ZINC000328603913 569417213 /nfs/dbraw/zinc/41/72/13/569417213.db2.gz HKLDGSFDQUSQKG-RXVVDRJESA-N 1 0 409.465 3.834 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)cnc2Cl)c1 ZINC001164409873 718865713 /nfs/dbraw/zinc/86/57/13/718865713.db2.gz VCUOITBJCSQBIK-APWZRJJASA-N 1 0 418.875 3.633 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cnc2Cl)c1 ZINC001164409878 718865856 /nfs/dbraw/zinc/86/58/56/718865856.db2.gz VCUOITBJCSQBIK-VQIMIIECSA-N 1 0 418.875 3.633 20 30 HHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625239 719067271 /nfs/dbraw/zinc/06/72/71/719067271.db2.gz NBRKZSAAPFYFMV-DOTOQJQBSA-N 1 0 417.966 3.761 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)c1 ZINC001164625545 719126272 /nfs/dbraw/zinc/12/62/72/719126272.db2.gz YFYYMQSGCRMCSC-GDBMZVCRSA-N 1 0 421.854 3.727 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)c(Cl)c(C)c1C#N)C2 ZINC001164807004 720087110 /nfs/dbraw/zinc/08/71/10/720087110.db2.gz FBNLZMOMNYOZEP-YWZLYKJASA-N 1 0 409.361 3.753 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(Cl)c3C#N)CC[C@@H]21 ZINC001164839277 720637796 /nfs/dbraw/zinc/63/77/96/720637796.db2.gz NCKQAYVKMUCEMR-MPGHIAIKSA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)[C@H]2C ZINC001164857322 721019637 /nfs/dbraw/zinc/01/96/37/721019637.db2.gz CWVLJIHHBJUEDL-HNNXBMFYSA-N 1 0 419.489 3.633 20 30 HHEDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164897847 721513689 /nfs/dbraw/zinc/51/36/89/721513689.db2.gz GNZKIZBDXJVBIU-FUHWJXTLSA-N 1 0 400.885 3.705 20 30 HHEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc(Cl)n1 ZINC001164907169 721531934 /nfs/dbraw/zinc/53/19/34/721531934.db2.gz MQBGJNLQGYCREK-AEFFLSMTSA-N 1 0 422.838 3.633 20 30 HHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#C[Si](C)(C)C)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164807702 721589279 /nfs/dbraw/zinc/58/92/79/721589279.db2.gz PRDYQHQWJWNXJZ-AKFKNWHVSA-N 1 0 420.633 3.574 20 30 HHEDRO N#Cc1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908344 721717068 /nfs/dbraw/zinc/71/70/68/721717068.db2.gz XEZRJPMBFITUMT-IBGZPJMESA-N 1 0 403.864 3.739 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)c(F)cc2C#N)CC1 ZINC001165016543 721837842 /nfs/dbraw/zinc/83/78/42/721837842.db2.gz CEVRNHUTYBEMAC-UHFFFAOYSA-N 1 0 418.900 3.864 20 30 HHEDRO CC(C)c1ccc(C#N)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961191 722052938 /nfs/dbraw/zinc/05/29/38/722052938.db2.gz UZNCQILVCSXBNG-UHFFFAOYSA-N 1 0 405.546 3.591 20 30 HHEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1 ZINC000301582447 970989350 /nfs/dbraw/zinc/98/93/50/970989350.db2.gz PYQMTYFMIFEHNK-UHFFFAOYSA-N 1 0 422.501 3.613 20 30 HHEDRO N#Cc1ccnc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000301634856 971010609 /nfs/dbraw/zinc/01/06/09/971010609.db2.gz KPBKDKNWABKONJ-UHFFFAOYSA-N 1 0 405.380 3.593 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(Cc4ccc(F)cc4)s3)CC2)cc1 ZINC000302091517 971174606 /nfs/dbraw/zinc/17/46/06/971174606.db2.gz HDEIPPCVRMKIOT-UHFFFAOYSA-N 1 0 407.518 3.852 20 30 HHEDRO C[C@H]1CN(Cc2cccc(CNc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)c2)CCO1 ZINC000302638948 971268554 /nfs/dbraw/zinc/26/85/54/971268554.db2.gz HWFRVYGJJIOLJJ-INIZCTEOSA-N 1 0 417.469 3.847 20 30 HHEDRO N#Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC000302774149 971314006 /nfs/dbraw/zinc/31/40/06/971314006.db2.gz DLBKJIOGJDVBMN-HXUWFJFHSA-N 1 0 417.469 3.718 20 30 HHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553125752 1013086921 /nfs/dbraw/zinc/08/69/21/1013086921.db2.gz XZJDZQJGKYWEOF-LJQANCHMSA-N 1 0 400.542 3.685 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000303215708 971564926 /nfs/dbraw/zinc/56/49/26/971564926.db2.gz SZOAPJWQBHVWOZ-UHFFFAOYSA-N 1 0 412.921 3.764 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)CC1 ZINC000303375671 971669516 /nfs/dbraw/zinc/66/95/16/971669516.db2.gz WISWGIJXRYYJSS-OAQYLSRUSA-N 1 0 419.569 3.849 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000303517396 971818272 /nfs/dbraw/zinc/81/82/72/971818272.db2.gz DMJOAVACDXCOJG-XMMPIXPASA-N 1 0 405.542 3.922 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2cccc(OC)c2)N(C)C)c1 ZINC000303770296 972018273 /nfs/dbraw/zinc/01/82/73/972018273.db2.gz BVKIZRBWSKLLLL-FQEVSTJZSA-N 1 0 400.523 3.522 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1Cl ZINC000303789668 972028832 /nfs/dbraw/zinc/02/88/32/972028832.db2.gz VMKLPGXJNONDQS-LLVKDONJSA-N 1 0 400.331 3.562 20 30 HHEDRO COc1ccc(C[C@](C)([NH3+])CNc2c(C#N)cnc3c(OC)cc(OC)cc32)cc1 ZINC000553170272 1013131120 /nfs/dbraw/zinc/13/11/20/1013131120.db2.gz UXIXCVHBVBZTQF-QHCPKHFHSA-N 1 0 406.486 3.504 20 30 HHEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000303864810 972406653 /nfs/dbraw/zinc/40/66/53/972406653.db2.gz BGIQEDAWIFYDFR-LJQANCHMSA-N 1 0 422.451 3.694 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1Cl ZINC000303881994 972422628 /nfs/dbraw/zinc/42/26/28/972422628.db2.gz HYPPMMSBVXRZGX-SFHVURJKSA-N 1 0 423.344 3.802 20 30 HHEDRO [NH2+]=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303889658 972429672 /nfs/dbraw/zinc/42/96/72/972429672.db2.gz PQUYNJSZZAOSQM-QGZVFWFLSA-N 1 0 422.407 3.630 20 30 HHEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(F)cc2)[n+]2cccc(CO)c2)cc1 ZINC000007611408 961256331 /nfs/dbraw/zinc/25/63/31/961256331.db2.gz RIFNBOGAQZKNNU-UHFFFAOYSA-O 1 0 411.478 3.665 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000553288962 1013245670 /nfs/dbraw/zinc/24/56/70/1013245670.db2.gz WJWFGXFORLTYGX-UHFFFAOYSA-N 1 0 400.954 3.585 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000542308479 1013266241 /nfs/dbraw/zinc/26/62/41/1013266241.db2.gz DIPPXUCARAPTGZ-UPVQGACJSA-N 1 0 424.520 3.650 20 30 HHEDRO C[NH+](C)Cc1ccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000553342780 1013286884 /nfs/dbraw/zinc/28/68/84/1013286884.db2.gz VYPUJWFMFWEDGO-UHFFFAOYSA-N 1 0 410.493 3.512 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(CO)c2)c(C)n1C ZINC000011170418 962023065 /nfs/dbraw/zinc/02/30/65/962023065.db2.gz FUPYITGMCZDWHT-UHFFFAOYSA-O 1 0 412.510 3.612 20 30 HHEDRO C=CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000553377468 1013312728 /nfs/dbraw/zinc/31/27/28/1013312728.db2.gz GJCPUXLTVBDNNH-JWQCQUIFSA-N 1 0 403.570 3.765 20 30 HHEDRO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000553425263 1013343980 /nfs/dbraw/zinc/34/39/80/1013343980.db2.gz KNDINAHWVCJLSC-QFSBIZTOSA-N 1 0 418.364 3.632 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000553452518 1013365272 /nfs/dbraw/zinc/36/52/72/1013365272.db2.gz VOZYFHRDAWYSQH-UHFFFAOYSA-N 1 0 409.578 3.581 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000542420500 1013372603 /nfs/dbraw/zinc/37/26/03/1013372603.db2.gz BIGPBMBEHHZTTG-UHFFFAOYSA-N 1 0 422.529 3.678 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cccc(Br)c2)C(=S)NC2CC2)cc1 ZINC000022688258 963697269 /nfs/dbraw/zinc/69/72/69/963697269.db2.gz SUQOYDFSCPZCLW-UHFFFAOYSA-O 1 0 404.353 3.990 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)s1)C(=S)NC[C@H]1CCCO1 ZINC000022691109 963697967 /nfs/dbraw/zinc/69/79/67/963697967.db2.gz ANEMVQWJOIRCPZ-CQSZACIVSA-O 1 0 409.984 3.959 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022690771 963698022 /nfs/dbraw/zinc/69/80/22/963698022.db2.gz LOVSKSNCNFIFHS-GOSISDBHSA-O 1 0 403.955 3.897 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(CO)c2)cc1 ZINC000022730079 963705107 /nfs/dbraw/zinc/70/51/07/963705107.db2.gz TWEXMRAXSOUZHV-UHFFFAOYSA-O 1 0 407.515 3.916 20 30 HHEDRO Cc1ccc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NCCc2ccccc2)c1 ZINC000022734996 963705683 /nfs/dbraw/zinc/70/56/83/963705683.db2.gz JWPCSQBGNFLESB-UHFFFAOYSA-O 1 0 420.514 3.962 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[n+]1cccc(C)c1 ZINC000022798963 963718716 /nfs/dbraw/zinc/71/87/16/963718716.db2.gz ZBIGVIQCQOWXQH-UHFFFAOYSA-O 1 0 414.551 3.509 20 30 HHEDRO N#CCSc1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000022837217 963726692 /nfs/dbraw/zinc/72/66/92/963726692.db2.gz MZYGXICPCHWGNS-UHFFFAOYSA-N 1 0 412.534 3.588 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000023139137 963774185 /nfs/dbraw/zinc/77/41/85/963774185.db2.gz RQWXORPJJHVARH-INIZCTEOSA-N 1 0 412.921 3.760 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]c(=S)n3-c3ccccc3)CC2)cc1 ZINC000023451162 963828862 /nfs/dbraw/zinc/82/88/62/963828862.db2.gz QXFRETZHHPZIGB-UHFFFAOYSA-N 1 0 417.538 3.755 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000023602979 963858554 /nfs/dbraw/zinc/85/85/54/963858554.db2.gz QYDMSSAVLHAPGA-GOSISDBHSA-O 1 0 400.568 3.579 20 30 HHEDRO CCOc1ccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2cccc(CO)c2)cc1 ZINC000023604293 963858562 /nfs/dbraw/zinc/85/85/62/963858562.db2.gz KFAZXLRFNOATBH-UHFFFAOYSA-O 1 0 424.546 3.861 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000023604100 963858686 /nfs/dbraw/zinc/85/86/86/963858686.db2.gz FZSITUNXIOGEPH-UHFFFAOYSA-O 1 0 407.563 3.714 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc3c(c2)CCCC3)c(C)[nH]1 ZINC000023602972 963858814 /nfs/dbraw/zinc/85/88/14/963858814.db2.gz MWRKIVKGGIMLRK-LJQANCHMSA-O 1 0 412.579 3.505 20 30 HHEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000048745109 964050360 /nfs/dbraw/zinc/05/03/60/964050360.db2.gz KAPAAJCETOEGJB-UHFFFAOYSA-N 1 0 401.489 3.709 20 30 HHEDRO C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000048827760 964068985 /nfs/dbraw/zinc/06/89/85/964068985.db2.gz YXOHEOGPPWPTOK-QRVBRYPASA-N 1 0 406.530 3.728 20 30 HHEDRO C[NH+](C)CC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C(C)(C)C ZINC000553581710 1013479805 /nfs/dbraw/zinc/47/98/05/1013479805.db2.gz UIYCCXCZMGXKCN-FQEVSTJZSA-N 1 0 404.530 3.617 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000026219347 964488521 /nfs/dbraw/zinc/48/85/21/964488521.db2.gz YELFTVZGONNKBZ-UHFFFAOYSA-N 1 0 402.420 3.728 20 30 HHEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)s2)cc1 ZINC000542570899 1013512322 /nfs/dbraw/zinc/51/23/22/1013512322.db2.gz SZKCNSILCHMXGN-HNNXBMFYSA-N 1 0 420.538 3.966 20 30 HHEDRO Cc1ccccc1C[NH+]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000026763460 964669583 /nfs/dbraw/zinc/66/95/83/964669583.db2.gz CPSWAGDLGNLXPG-QGZVFWFLSA-N 1 0 408.571 3.562 20 30 HHEDRO Cc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000026763463 964669726 /nfs/dbraw/zinc/66/97/26/964669726.db2.gz CPSWAGDLGNLXPG-KRWDZBQOSA-N 1 0 408.571 3.562 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000027064369 964769707 /nfs/dbraw/zinc/76/97/07/964769707.db2.gz WSSAPODQBQAHOM-UHFFFAOYSA-N 1 0 406.555 3.947 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[n+]1ccc(C)cc1 ZINC000027311811 964846487 /nfs/dbraw/zinc/84/64/87/964846487.db2.gz UEUQGRBPJNYQLV-UHFFFAOYSA-O 1 0 414.551 3.509 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000052485627 964916057 /nfs/dbraw/zinc/91/60/57/964916057.db2.gz KYYSDVQZIUPGQW-IPMKNSEASA-N 1 0 419.639 3.526 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N(C)C1CCC(C)CC1 ZINC000052485699 964916584 /nfs/dbraw/zinc/91/65/84/964916584.db2.gz BMMHXIPJAMFTAC-UHFFFAOYSA-N 1 0 419.639 3.622 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CCSCc2ccccc2C#N)ccc1S(C)(=O)=O ZINC000537974097 1013550941 /nfs/dbraw/zinc/55/09/41/1013550941.db2.gz NATZLPWAKQPWSV-HNNXBMFYSA-N 1 0 404.557 3.554 20 30 HHEDRO C=CCc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc(OC)c1OC ZINC000029370994 965361119 /nfs/dbraw/zinc/36/11/19/965361119.db2.gz RMTJJEHLEWSVMX-UHFFFAOYSA-N 1 0 409.530 3.745 20 30 HHEDRO C[C@@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCC12CCOCC2 ZINC000542656566 1013584806 /nfs/dbraw/zinc/58/48/06/1013584806.db2.gz SKHBMSPODIYLKA-HOTGVXAUSA-N 1 0 401.576 3.964 20 30 HHEDRO CSc1ccccc1NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172160 965773549 /nfs/dbraw/zinc/77/35/49/965773549.db2.gz IFOGQMVYUDTIBP-GOSISDBHSA-N 1 0 408.571 3.815 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000030972725 965844701 /nfs/dbraw/zinc/84/47/01/965844701.db2.gz UVACCONUDSBQLF-UHFFFAOYSA-N 1 0 401.432 3.854 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1)CC(C)C ZINC000538033647 1013605276 /nfs/dbraw/zinc/60/52/76/1013605276.db2.gz UITMVOHLVGHTLM-UHFFFAOYSA-N 1 0 401.551 3.552 20 30 HHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000031106101 965899513 /nfs/dbraw/zinc/89/95/13/965899513.db2.gz YWAINIPZXVIDTO-UHFFFAOYSA-N 1 0 423.536 3.571 20 30 HHEDRO Cc1nc(SCC(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(C#N)c(C)c1C ZINC000058883643 965940439 /nfs/dbraw/zinc/94/04/39/965940439.db2.gz TUQNCXPYYGRAPR-ZRGWGRIASA-N 1 0 400.592 3.834 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000059982650 966045982 /nfs/dbraw/zinc/04/59/82/966045982.db2.gz FZUIURVAUIBVPJ-HDICACEKSA-N 1 0 401.551 3.599 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000055870340 966111065 /nfs/dbraw/zinc/11/10/65/966111065.db2.gz UBVQZTAVHJSIPW-IYBDPMFKSA-N 1 0 412.921 3.871 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000056168338 966243600 /nfs/dbraw/zinc/24/36/00/966243600.db2.gz KCVYICOZXQMWKF-ICSRJNTNSA-N 1 0 408.571 3.922 20 30 HHEDRO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[NH+]2CCCC2)cc1 ZINC000060920311 966327206 /nfs/dbraw/zinc/32/72/06/966327206.db2.gz XPANKKYBXNCQQU-FQEVSTJZSA-N 1 0 403.935 3.636 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)ccc1OC ZINC000060926961 966329788 /nfs/dbraw/zinc/32/97/88/966329788.db2.gz RKNOCFRPUIKPTI-JOCHJYFZSA-N 1 0 414.521 3.952 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000056656905 966412974 /nfs/dbraw/zinc/41/29/74/966412974.db2.gz OKKLUZPZOLKRFG-UHFFFAOYSA-N 1 0 406.530 3.884 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000062156085 966620129 /nfs/dbraw/zinc/62/01/29/966620129.db2.gz LTPNASVJAKWZNM-IBGZPJMESA-N 1 0 423.582 3.857 20 30 HHEDRO N#Cc1cccc(OCC[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 ZINC000538117957 1013678917 /nfs/dbraw/zinc/67/89/17/1013678917.db2.gz MQGMEOGGNSVMBV-HXUWFJFHSA-N 1 0 417.431 3.909 20 30 HHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000553893236 1013680275 /nfs/dbraw/zinc/68/02/75/1013680275.db2.gz MTFPMFUDIUPXOS-GOSISDBHSA-N 1 0 402.514 3.515 20 30 HHEDRO COc1ccccc1C(C)(C)CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000063408673 966847466 /nfs/dbraw/zinc/84/74/66/966847466.db2.gz HHMOZVFLGIVWNP-UHFFFAOYSA-N 1 0 420.557 3.762 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000042813675 966852992 /nfs/dbraw/zinc/85/29/92/966852992.db2.gz YUBWYBQMOZOSHJ-DEOSSOPVSA-N 1 0 417.557 3.617 20 30 HHEDRO CCc1c(C(=O)C(C(=S)NC(C)C)[n+]2ccccc2CC)[nH]c(C)c1C(C)=O ZINC000063440536 966857866 /nfs/dbraw/zinc/85/78/66/966857866.db2.gz FNINXGNZFQQTHH-UHFFFAOYSA-O 1 0 400.568 3.875 20 30 HHEDRO COc1ccc([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000043139382 966915290 /nfs/dbraw/zinc/91/52/90/966915290.db2.gz XETXABKEUGMDGR-QHCPKHFHSA-N 1 0 406.530 3.935 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000063786403 966956255 /nfs/dbraw/zinc/95/62/55/966956255.db2.gz APPAQBJCPCBJKK-UHFFFAOYSA-N 1 0 420.557 3.902 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000063786824 966956843 /nfs/dbraw/zinc/95/68/43/966956843.db2.gz HSAAYJNNULDTLQ-UHFFFAOYSA-N 1 0 420.557 3.553 20 30 HHEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](c3ccc(C(C)C)cc3)C(C)C)CC2)o1 ZINC000538141182 1013703111 /nfs/dbraw/zinc/70/31/11/1013703111.db2.gz KYGAZEQZRLCKMQ-HSZRJFAPSA-N 1 0 423.561 3.614 20 30 HHEDRO Cc1cc(SCC(=O)N(CCC#N)CCC[NH+](C)C)c(C)cc1Br ZINC000064381226 967163064 /nfs/dbraw/zinc/16/30/64/967163064.db2.gz HVSHSBVFPXGMKY-UHFFFAOYSA-N 1 0 412.397 3.852 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC(=O)N2)[n+]1ccc(CC)cc1 ZINC000044557807 967240233 /nfs/dbraw/zinc/24/02/33/967240233.db2.gz WAQHBENSQGVGGV-UHFFFAOYSA-O 1 0 408.547 3.526 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(Cc2ccccc2)n1 ZINC000044566472 967241654 /nfs/dbraw/zinc/24/16/54/967241654.db2.gz MBOGZRQXHRLNDI-UHFFFAOYSA-N 1 0 404.539 3.810 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc(OC)c1OC ZINC000065389250 967450341 /nfs/dbraw/zinc/45/03/41/967450341.db2.gz LPWREXUICHLXLQ-SBUREZEXSA-N 1 0 403.567 3.742 20 30 HHEDRO N#Cc1ccccc1CSCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045860054 967576345 /nfs/dbraw/zinc/57/63/45/967576345.db2.gz DWKKFGPWIQKTQS-UHFFFAOYSA-N 1 0 408.571 3.887 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000045977373 967615244 /nfs/dbraw/zinc/61/52/44/967615244.db2.gz ATTPYHZZLJTTNF-UHFFFAOYSA-N 1 0 417.557 3.576 20 30 HHEDRO CCOCc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046180018 967693575 /nfs/dbraw/zinc/69/35/75/967693575.db2.gz ROUQIQARVGCCHN-UHFFFAOYSA-N 1 0 406.530 3.512 20 30 HHEDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047234332 968097876 /nfs/dbraw/zinc/09/78/76/968097876.db2.gz LZFRYEBGBCRTBM-INIZCTEOSA-N 1 0 412.515 3.537 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000047287149 968122701 /nfs/dbraw/zinc/12/27/01/968122701.db2.gz RSZVNUVJWNVNKC-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)c(Cl)c1 ZINC000542955830 1013786165 /nfs/dbraw/zinc/78/61/65/1013786165.db2.gz GHKPGSKDAHXDFQ-SFHVURJKSA-N 1 0 420.904 3.793 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047883201 968351008 /nfs/dbraw/zinc/35/10/08/968351008.db2.gz BJECLQSFJXOHEE-SFHVURJKSA-N 1 0 405.420 3.786 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000048126084 968443290 /nfs/dbraw/zinc/44/32/90/968443290.db2.gz GDTAMIHTBKXZEM-KRWDZBQOSA-N 1 0 405.502 3.806 20 30 HHEDRO C[N@H+](CCCNC(=O)c1ccc(COc2ccccc2C#N)o1)Cc1ccccc1 ZINC000048270142 968506665 /nfs/dbraw/zinc/50/66/65/968506665.db2.gz XBKHOOHYFKRSGK-UHFFFAOYSA-N 1 0 403.482 3.982 20 30 HHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n(Cc2ccccc2)n1 ZINC000065798629 968649401 /nfs/dbraw/zinc/64/94/01/968649401.db2.gz ILKINUHSUMKOSR-UHFFFAOYSA-N 1 0 416.529 3.707 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000065930173 968720807 /nfs/dbraw/zinc/72/08/07/968720807.db2.gz HLVBDIFILUJZEO-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO C=CCOc1ccc(/C=C/C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1OC ZINC000072026833 968941098 /nfs/dbraw/zinc/94/10/98/968941098.db2.gz OVKCRFDQTDBSIK-PKNBQFBNSA-N 1 0 421.541 3.659 20 30 HHEDRO C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000072030949 968942929 /nfs/dbraw/zinc/94/29/29/968942929.db2.gz HIJUOSDHOKTHAT-GOSISDBHSA-N 1 0 403.530 3.529 20 30 HHEDRO CCCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078911302 969022833 /nfs/dbraw/zinc/02/28/33/969022833.db2.gz RUPVYCUZQFQTRC-UHFFFAOYSA-N 1 0 422.577 3.878 20 30 HHEDRO C=CCOc1cccc(NC(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000554194110 1013846498 /nfs/dbraw/zinc/84/64/98/1013846498.db2.gz IXBGUPNDUNFKDJ-UHFFFAOYSA-N 1 0 408.546 3.533 20 30 HHEDRO C[C@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000097571280 969164584 /nfs/dbraw/zinc/16/45/84/969164584.db2.gz LTNIRQHHRZEYBC-MOPGFXCFSA-N 1 0 420.557 3.676 20 30 HHEDRO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)Nc1ccc(F)cc1F ZINC000097571303 969165482 /nfs/dbraw/zinc/16/54/82/969165482.db2.gz GVKFCLTYTZVVCX-OAHLLOKOSA-N 1 0 416.472 3.615 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000108933975 969436569 /nfs/dbraw/zinc/43/65/69/969436569.db2.gz LZOXUPRUECGDCE-SFHVURJKSA-N 1 0 404.514 3.853 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000108975834 969442744 /nfs/dbraw/zinc/44/27/44/969442744.db2.gz IIEHFRTYZLQRRA-SFTDATJTSA-N 1 0 412.578 3.567 20 30 HHEDRO CC(C)[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000109405663 969513254 /nfs/dbraw/zinc/51/32/54/969513254.db2.gz BFPVSMAIZJUUOB-UHFFFAOYSA-N 1 0 401.457 3.729 20 30 HHEDRO CC[NH+](CC)[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000111072460 969772546 /nfs/dbraw/zinc/77/25/46/969772546.db2.gz PCDQXWRGEKXPPR-XMMPIXPASA-N 1 0 404.558 3.676 20 30 HHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000112544694 969815946 /nfs/dbraw/zinc/81/59/46/969815946.db2.gz UJAGKARRHXKHTF-HNNXBMFYSA-N 1 0 420.941 3.777 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000115888057 969859028 /nfs/dbraw/zinc/85/90/28/969859028.db2.gz XSVZUZHSODDXBD-UHFFFAOYSA-N 1 0 414.912 3.887 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000195702104 969968353 /nfs/dbraw/zinc/96/83/53/969968353.db2.gz PFKKRRWWNUCHLB-QHCPKHFHSA-N 1 0 422.529 3.712 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138614592 970004914 /nfs/dbraw/zinc/00/49/14/970004914.db2.gz HNRBVEJLNFVUQZ-UHFFFAOYSA-N 1 0 411.575 3.534 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(OC)c1 ZINC000140233610 970070283 /nfs/dbraw/zinc/07/02/83/970070283.db2.gz WGMYGUAWSWSFML-LJQANCHMSA-N 1 0 414.571 3.892 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCN(c4cccc(Br)c4)C3)n2c1 ZINC000236657244 970152290 /nfs/dbraw/zinc/15/22/90/970152290.db2.gz LXOYTUCJGITDJZ-MRXNPFEDSA-N 1 0 410.319 3.585 20 30 HHEDRO CCCNC(=O)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000236894998 970185898 /nfs/dbraw/zinc/18/58/98/970185898.db2.gz QSKHOMTZUQGRAJ-UHFFFAOYSA-N 1 0 401.514 3.893 20 30 HHEDRO C#CCCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 ZINC000236957130 970194890 /nfs/dbraw/zinc/19/48/90/970194890.db2.gz FZOHEBHVLVFHIF-UHFFFAOYSA-N 1 0 406.526 3.882 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1OC ZINC000237174265 970235650 /nfs/dbraw/zinc/23/56/50/970235650.db2.gz FWXBGWHCWXGBHL-UHFFFAOYSA-N 1 0 419.319 3.542 20 30 HHEDRO COc1cccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)N(C)C)c1 ZINC000237317332 970261381 /nfs/dbraw/zinc/26/13/81/970261381.db2.gz GAVNTFLVGDWUAL-QHCPKHFHSA-N 1 0 403.530 3.865 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCOCC2)ccc1OC ZINC000237419296 970281682 /nfs/dbraw/zinc/28/16/82/970281682.db2.gz TWDUTILAFYMUPW-FQEVSTJZSA-N 1 0 400.519 3.715 20 30 HHEDRO N#Cc1csc(C[NH2+]Cc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)c1 ZINC000237758408 970355953 /nfs/dbraw/zinc/35/59/53/970355953.db2.gz AXCINYIAJCLVGZ-UHFFFAOYSA-N 1 0 415.515 3.527 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ncc(C(F)(F)F)cc4Cl)C3)n2c1 ZINC000237761769 970358280 /nfs/dbraw/zinc/35/82/80/970358280.db2.gz AYAKWHLXBKEXFM-CQSZACIVSA-N 1 0 420.826 3.642 20 30 HHEDRO Cn1cc(N2CCC[C@H]([NH2+]Cc3cccc(OCc4ccccc4C#N)c3)C2)cn1 ZINC000237792871 970369039 /nfs/dbraw/zinc/36/90/39/970369039.db2.gz NRROHANYDKMROS-QFIPXVFZSA-N 1 0 401.514 3.629 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2cccc(CN3CCOCC3)c2)c(-c2ccccc2)n1 ZINC000237832354 970377800 /nfs/dbraw/zinc/37/78/00/970377800.db2.gz TYQGKHFPBYBVRM-UHFFFAOYSA-N 1 0 415.541 3.586 20 30 HHEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1Cl ZINC000554605811 1013987652 /nfs/dbraw/zinc/98/76/52/1013987652.db2.gz DVGZXYOIUNXFJX-OAQYLSRUSA-N 1 0 423.944 3.870 20 30 HHEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000238043975 970425461 /nfs/dbraw/zinc/42/54/61/970425461.db2.gz XPIBLUUKBUNLAC-UHFFFAOYSA-N 1 0 400.482 3.705 20 30 HHEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000238044117 970425682 /nfs/dbraw/zinc/42/56/82/970425682.db2.gz GULJZAMHZROSDQ-UHFFFAOYSA-N 1 0 400.482 3.705 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)N[C@H](C)CC)[n+]2ccc(N(C)C)cc2)cc1 ZINC000154493452 970443397 /nfs/dbraw/zinc/44/33/97/970443397.db2.gz CAAXRGDQINURQO-MRXNPFEDSA-O 1 0 400.568 3.766 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC)c(OC)c1 ZINC000164385243 970447074 /nfs/dbraw/zinc/44/70/74/970447074.db2.gz YNQWOGJRELMYHL-UHFFFAOYSA-N 1 0 413.543 3.976 20 30 HHEDRO Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000303977729 972563466 /nfs/dbraw/zinc/56/34/66/972563466.db2.gz LPKJVUXWFYVASU-UHFFFAOYSA-N 1 0 419.323 3.910 20 30 HHEDRO COc1cc(Br)c(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1OC ZINC000303979424 972565340 /nfs/dbraw/zinc/56/53/40/972565340.db2.gz NDJZCXALJVZLPC-UHFFFAOYSA-N 1 0 404.308 3.882 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000303986769 972569788 /nfs/dbraw/zinc/56/97/88/972569788.db2.gz UWGWABIOIFAYEO-NRFANRHFSA-N 1 0 416.953 3.927 20 30 HHEDRO COc1cc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)ccc1OCC(F)(F)F ZINC000304498840 972601698 /nfs/dbraw/zinc/60/16/98/972601698.db2.gz QWJFJLZFFUOKIJ-OAHLLOKOSA-N 1 0 409.408 3.564 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NCC2(c3cccc(Br)c3)CC2)c1 ZINC000304738131 972604160 /nfs/dbraw/zinc/60/41/60/972604160.db2.gz ATPZOOPFPYUFNB-UHFFFAOYSA-N 1 0 404.308 3.925 20 30 HHEDRO Cc1ccc(NC(=[NH2+])NCCC(=O)N(C)Cc2ccccc2Br)cc1C ZINC000304740106 972604227 /nfs/dbraw/zinc/60/42/27/972604227.db2.gz BMWRLDIQPBUKMR-UHFFFAOYSA-N 1 0 417.351 3.841 20 30 HHEDRO [NH2+]=C(NCC1(c2ccccc2Cl)CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000304761581 972605484 /nfs/dbraw/zinc/60/54/84/972605484.db2.gz UQEJNCOGDKTBBQ-UHFFFAOYSA-N 1 0 415.921 3.976 20 30 HHEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N ZINC000304771851 972606661 /nfs/dbraw/zinc/60/66/61/972606661.db2.gz AHKUDMJPJGPPCN-INIZCTEOSA-N 1 0 413.545 3.517 20 30 HHEDRO [NH2+]=C(NCc1nccn1CCc1ccccc1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304816540 972608026 /nfs/dbraw/zinc/60/80/26/972608026.db2.gz XFKXINZHADNSSZ-UHFFFAOYSA-N 1 0 417.435 3.629 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nccn2CCc2ccccc2)c1 ZINC000304817297 972608175 /nfs/dbraw/zinc/60/81/75/972608175.db2.gz ZLEPZBCYNUSPTP-UHFFFAOYSA-N 1 0 407.518 3.850 20 30 HHEDRO COc1ccccc1N1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000305195579 972610470 /nfs/dbraw/zinc/61/04/70/972610470.db2.gz DPQVTOGQIUPSBH-AWEZNQCLSA-N 1 0 408.424 3.847 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000409518132 972972940 /nfs/dbraw/zinc/97/29/40/972972940.db2.gz KPPGCMFPRVSKJG-IRXDYDNUSA-N 1 0 410.331 3.913 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000554848572 1014073746 /nfs/dbraw/zinc/07/37/46/1014073746.db2.gz NYGUTDVUBIVFAO-CHWSQXEVSA-N 1 0 416.403 3.601 20 30 HHEDRO N#Cc1cccc(-n2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2)c1 ZINC000409682938 973146539 /nfs/dbraw/zinc/14/65/39/973146539.db2.gz ZEVFONLGYCMTRG-FRIKZZABSA-N 1 0 411.509 3.669 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000409744059 973219927 /nfs/dbraw/zinc/21/99/27/973219927.db2.gz CSZACBXLOZLSDU-DENIHFKCSA-N 1 0 413.525 3.869 20 30 HHEDRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)N(CC)CCC#N ZINC000410162537 973654662 /nfs/dbraw/zinc/65/46/62/973654662.db2.gz TWQPIPZDIORQFN-VCSGRIEYSA-N 1 0 412.644 3.610 20 30 HHEDRO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410394263 973992956 /nfs/dbraw/zinc/99/29/56/973992956.db2.gz WMYBLUNBLRUEPS-KRWDZBQOSA-N 1 0 415.563 3.577 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2)cc1 ZINC000426107767 974231744 /nfs/dbraw/zinc/23/17/44/974231744.db2.gz BHMQDKMKWZYYDO-PKTZIBPZSA-N 1 0 420.513 3.850 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000426111176 974234237 /nfs/dbraw/zinc/23/42/37/974234237.db2.gz HUTAKLDZBNRQDY-OFNKIYASSA-N 1 0 409.530 3.646 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](C(=O)OC(C)(C)C)C3)sc2C1 ZINC000426176450 974287013 /nfs/dbraw/zinc/28/70/13/974287013.db2.gz MWHLXKCODAOJNV-CABCVRRESA-N 1 0 417.575 3.737 20 30 HHEDRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C(C)(C)C ZINC000426505132 974493162 /nfs/dbraw/zinc/49/31/62/974493162.db2.gz SYLYNBCGQBIHRX-NRFANRHFSA-N 1 0 422.529 3.772 20 30 HHEDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+](C)C ZINC000426532553 974511357 /nfs/dbraw/zinc/51/13/57/974511357.db2.gz XFZFXTDLGPMHGZ-NRFANRHFSA-N 1 0 422.529 3.772 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000426556979 974526353 /nfs/dbraw/zinc/52/63/53/974526353.db2.gz DCMSEOAZAMIHEF-FQEVSTJZSA-N 1 0 405.542 3.822 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C[NH+]1CCCCC1 ZINC000426660994 974588409 /nfs/dbraw/zinc/58/84/09/974588409.db2.gz RPJFZTRDKVQRNG-GOSISDBHSA-N 1 0 420.513 3.527 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000426776234 974651681 /nfs/dbraw/zinc/65/16/81/974651681.db2.gz XGFYJIPJMYNQQN-ICSRJNTNSA-N 1 0 406.592 3.701 20 30 HHEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000426812796 974679341 /nfs/dbraw/zinc/67/93/41/974679341.db2.gz ZZPQHAGNNPLTQY-GOSISDBHSA-N 1 0 413.543 3.560 20 30 HHEDRO Clc1ccc(C#CCN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000427017495 974828978 /nfs/dbraw/zinc/82/89/78/974828978.db2.gz WCJURSSDJCWJHL-JOCHJYFZSA-N 1 0 408.977 3.621 20 30 HHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427239396 974999326 /nfs/dbraw/zinc/99/93/26/974999326.db2.gz OZMHJQLOSIBNKF-UHFFFAOYSA-N 1 0 403.530 3.674 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427245558 975002200 /nfs/dbraw/zinc/00/22/00/975002200.db2.gz HJLQCXVTHYVICB-UHFFFAOYSA-N 1 0 417.557 3.580 20 30 HHEDRO N#CCCn1ncc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c1-c1ccccc1 ZINC000428195511 975520595 /nfs/dbraw/zinc/52/05/95/975520595.db2.gz OGOSHAILQXVPCM-UHFFFAOYSA-N 1 0 423.586 3.555 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000428484577 975784812 /nfs/dbraw/zinc/78/48/12/975784812.db2.gz PERNDONMXDYOIO-GOSISDBHSA-N 1 0 417.431 3.638 20 30 HHEDRO C[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000428709542 976000242 /nfs/dbraw/zinc/00/02/42/976000242.db2.gz MHKLUHCNPMGFDH-IBGZPJMESA-N 1 0 401.514 3.714 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428995652 976275981 /nfs/dbraw/zinc/27/59/81/976275981.db2.gz CTOSQEVECSNMJL-VIPLHTEESA-N 1 0 414.619 3.878 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000429057053 976344014 /nfs/dbraw/zinc/34/40/14/976344014.db2.gz VZHQYLLCQNQHRN-INIZCTEOSA-N 1 0 410.909 3.894 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000429192881 976483575 /nfs/dbraw/zinc/48/35/75/976483575.db2.gz SJNJDHQYMXNKPL-XOBRGWDASA-N 1 0 403.935 3.940 20 30 HHEDRO C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@@H+](C2CCC2)C1 ZINC000429380537 976652566 /nfs/dbraw/zinc/65/25/66/976652566.db2.gz MHTICTLENLTNEH-MRXNPFEDSA-N 1 0 400.592 3.633 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000429619885 976906389 /nfs/dbraw/zinc/90/63/89/976906389.db2.gz IQHBXAAICBIFDU-JOCHJYFZSA-N 1 0 422.529 3.758 20 30 HHEDRO C[NH+](C)CCN(C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C1CCCC1 ZINC000429794898 977072692 /nfs/dbraw/zinc/07/26/92/977072692.db2.gz WSEQHZPYDVVALJ-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)nc1 ZINC000430167865 977363236 /nfs/dbraw/zinc/36/32/36/977363236.db2.gz NBONYECDLDBTQU-IBGZPJMESA-N 1 0 424.302 3.555 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000430348450 977493723 /nfs/dbraw/zinc/49/37/23/977493723.db2.gz SELFLVVTIWXOAV-OAQYLSRUSA-N 1 0 418.541 3.535 20 30 HHEDRO CN(C(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1)c1ccccc1 ZINC000430357235 977499736 /nfs/dbraw/zinc/49/97/36/977499736.db2.gz VYNHPJACVNHOCW-SFHVURJKSA-N 1 0 424.932 3.572 20 30 HHEDRO Cc1noc(C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2)n1 ZINC000431176987 978076169 /nfs/dbraw/zinc/07/61/69/978076169.db2.gz FZPKUDPILFUULF-DYESRHJHSA-N 1 0 403.486 3.587 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000431783423 978510085 /nfs/dbraw/zinc/51/00/85/978510085.db2.gz HZEOCERPMJOOTN-UHFFFAOYSA-N 1 0 419.447 3.632 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000431957629 978618700 /nfs/dbraw/zinc/61/87/00/978618700.db2.gz GTJTXHAVBAEUGJ-WIYYLYMNSA-N 1 0 406.530 3.687 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000432032248 978654002 /nfs/dbraw/zinc/65/40/02/978654002.db2.gz LUQZVDRLQQBQIG-CVDCTZTESA-N 1 0 418.541 3.669 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2=O)cc1 ZINC000432416725 978802570 /nfs/dbraw/zinc/80/25/70/978802570.db2.gz RYQHFTVGNBGGRI-DQVLVPHSSA-N 1 0 424.342 3.957 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000432590187 978902888 /nfs/dbraw/zinc/90/28/88/978902888.db2.gz DCLIHEOIGWCJLE-UHFFFAOYSA-N 1 0 411.937 3.672 20 30 HHEDRO C[C@H](c1ccccc1)N1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433012488 979041416 /nfs/dbraw/zinc/04/14/16/979041416.db2.gz TWPMRMURKGILQE-ZJSXRUAMSA-N 1 0 404.558 3.917 20 30 HHEDRO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433019371 979043826 /nfs/dbraw/zinc/04/38/26/979043826.db2.gz NJLCJTXOXYOAKP-LJQANCHMSA-N 1 0 412.921 3.762 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000433079253 979061725 /nfs/dbraw/zinc/06/17/25/979061725.db2.gz VSAFQTLWLJEXIA-JOCHJYFZSA-N 1 0 419.569 3.965 20 30 HHEDRO C[NH+](C)[C@H]1CCOc2c(NCc3cn(CCC#N)nc3-c3ccncc3)cccc21 ZINC000433173471 979117627 /nfs/dbraw/zinc/11/76/27/979117627.db2.gz HZEZCJDKHCEBEJ-NRFANRHFSA-N 1 0 402.502 3.856 20 30 HHEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433216998 979150657 /nfs/dbraw/zinc/15/06/57/979150657.db2.gz AYAMWLDDGUDCOP-NHCUHLMSSA-N 1 0 404.470 3.974 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCNc2ncc(Cl)cc2Cl)c(-c2ccncc2)n1 ZINC000433299314 979223599 /nfs/dbraw/zinc/22/35/99/979223599.db2.gz BNSSPLRXKITXGQ-UHFFFAOYSA-N 1 0 416.316 3.762 20 30 HHEDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CN1Cc1ccccc1 ZINC000433306407 979226931 /nfs/dbraw/zinc/22/69/31/979226931.db2.gz QZPHCJDBPZMGJB-XXBNENTESA-N 1 0 400.530 3.611 20 30 HHEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(O[C@@H]2CCOC2)c1 ZINC000433311644 979229214 /nfs/dbraw/zinc/22/92/14/979229214.db2.gz NGFJLPZPUHHHMV-JOCHJYFZSA-N 1 0 417.513 3.625 20 30 HHEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433314617 979231157 /nfs/dbraw/zinc/23/11/57/979231157.db2.gz VWMPHZQPTOHXPB-SFHVURJKSA-N 1 0 416.529 3.677 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000433335346 979244780 /nfs/dbraw/zinc/24/47/80/979244780.db2.gz PJCTTYVLJYDZMA-SFHVURJKSA-N 1 0 404.493 3.614 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000433338260 979247848 /nfs/dbraw/zinc/24/78/48/979247848.db2.gz VHSGTVMHGSBXOL-HXUWFJFHSA-N 1 0 406.921 3.881 20 30 HHEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)CC1 ZINC000433586662 979405736 /nfs/dbraw/zinc/40/57/36/979405736.db2.gz GQQJUVPWDWUBBL-UHFFFAOYSA-N 1 0 416.569 3.856 20 30 HHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000433815751 979596545 /nfs/dbraw/zinc/59/65/45/979596545.db2.gz PNCKIEPWIAJLKP-UHFFFAOYSA-N 1 0 401.555 3.519 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000433872709 979640613 /nfs/dbraw/zinc/64/06/13/979640613.db2.gz ADJFPFVZMDJULO-UHFFFAOYSA-N 1 0 415.497 3.690 20 30 HHEDRO Cn1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000434690940 980343144 /nfs/dbraw/zinc/34/31/44/980343144.db2.gz LTCWJGVHKAPFGC-UHFFFAOYSA-N 1 0 400.530 3.871 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434870452 980459115 /nfs/dbraw/zinc/45/91/15/980459115.db2.gz QPQGBCZTUOFMDY-LAUBAEHRSA-N 1 0 408.571 3.889 20 30 HHEDRO COC(=O)[C@@H](Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000434881659 980466250 /nfs/dbraw/zinc/46/62/50/980466250.db2.gz WSGVKHLKNZYOPV-QHCPKHFHSA-N 1 0 420.513 3.699 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[NH+]2CCCCC2)cc1 ZINC000435050725 980597141 /nfs/dbraw/zinc/59/71/41/980597141.db2.gz MUVAVMCBQOGHIP-HSZRJFAPSA-N 1 0 403.526 3.942 20 30 HHEDRO Cc1ccc(C)c(N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000435135842 980666292 /nfs/dbraw/zinc/66/62/92/980666292.db2.gz VNNBSYKWWGZKJM-UHFFFAOYSA-N 1 0 400.530 3.798 20 30 HHEDRO CCc1ccc(C[NH+]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)s1 ZINC000435138027 980669637 /nfs/dbraw/zinc/66/96/37/980669637.db2.gz PILUQYIICZDWNG-UHFFFAOYSA-N 1 0 420.586 3.800 20 30 HHEDRO Cc1cc(NC(=O)COc2ccccc2C#N)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435265205 980749126 /nfs/dbraw/zinc/74/91/26/980749126.db2.gz FGCVLEUXTFCRLF-OAQYLSRUSA-N 1 0 415.497 3.528 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435370224 980819781 /nfs/dbraw/zinc/81/97/81/980819781.db2.gz HZARUFNQRAYRKG-WIYYLYMNSA-N 1 0 415.497 3.608 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435524942 980919269 /nfs/dbraw/zinc/91/92/69/980919269.db2.gz HJFAUBCLQMCSDR-XZOQPEGZSA-N 1 0 424.589 3.750 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1C#N ZINC000435553595 980938362 /nfs/dbraw/zinc/93/83/62/980938362.db2.gz HOPMLUXOZHLZQV-UHFFFAOYSA-N 1 0 421.545 3.911 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH2+][C@@H](C)c1ccccc1 ZINC000435632017 980968285 /nfs/dbraw/zinc/96/82/85/980968285.db2.gz KEUXPESCVXVNRY-OXJNMPFZSA-N 1 0 410.493 3.518 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436064063 981184963 /nfs/dbraw/zinc/18/49/63/981184963.db2.gz VAGSVGQBQROINN-UHFFFAOYSA-N 1 0 424.504 3.757 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000436270589 981278750 /nfs/dbraw/zinc/27/87/50/981278750.db2.gz NQOAXXBJMDDOTI-JXFKEZNVSA-N 1 0 406.958 3.585 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OCC(F)(F)F ZINC000448383142 981740216 /nfs/dbraw/zinc/74/02/16/981740216.db2.gz OPJIHYNJJOLXDJ-KBXCAEBGSA-N 1 0 422.451 3.980 20 30 HHEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000437217547 981873881 /nfs/dbraw/zinc/87/38/81/981873881.db2.gz BJAUTODKBPVIPZ-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460256657 982033758 /nfs/dbraw/zinc/03/37/58/982033758.db2.gz AGWBCUYXFYTNJS-IBGZPJMESA-N 1 0 400.530 3.937 20 30 HHEDRO C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460376231 982154019 /nfs/dbraw/zinc/15/40/19/982154019.db2.gz OCDAIVBUSSMWAD-FPOVZHCZSA-N 1 0 422.577 3.786 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460386646 982165657 /nfs/dbraw/zinc/16/56/57/982165657.db2.gz IXKCBDOIQIGAGB-ZBFHGGJFSA-N 1 0 421.387 3.921 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC000460388283 982167314 /nfs/dbraw/zinc/16/73/14/982167314.db2.gz PVZCLONAJYNGJQ-JTHBVZDNSA-N 1 0 420.605 3.598 20 30 HHEDRO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000437615604 982235642 /nfs/dbraw/zinc/23/56/42/982235642.db2.gz RWAWWAJPCSQQEA-SANMLTNESA-N 1 0 421.585 3.854 20 30 HHEDRO CN1CCC(CNC(=O)c2ccccc2-c2ccccc2C#N)([NH+]2CCCCC2)CC1 ZINC000460482504 982274704 /nfs/dbraw/zinc/27/47/04/982274704.db2.gz FSDZQNZYNFESRH-UHFFFAOYSA-N 1 0 416.569 3.905 20 30 HHEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000437717141 982315011 /nfs/dbraw/zinc/31/50/11/982315011.db2.gz AKHAOJGYRVOZHN-AXHZCLLHSA-N 1 0 418.541 3.729 20 30 HHEDRO N#Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000437725865 982320061 /nfs/dbraw/zinc/32/00/61/982320061.db2.gz NULHZYJVKCOKAO-UHFFFAOYSA-N 1 0 410.905 3.817 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460541732 982328826 /nfs/dbraw/zinc/32/88/26/982328826.db2.gz GIZWWASNIPHVFJ-GOSISDBHSA-N 1 0 415.969 3.723 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460545806 982332490 /nfs/dbraw/zinc/33/24/90/982332490.db2.gz SJSROKGTIANPIX-DENIHFKCSA-N 1 0 423.561 3.821 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460551026 982337322 /nfs/dbraw/zinc/33/73/22/982337322.db2.gz LMXUNHPZXBHQDL-RBUKOAKNSA-N 1 0 413.566 3.608 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460574416 982358482 /nfs/dbraw/zinc/35/84/82/982358482.db2.gz NAIPSBGCSLHTMS-UGKGYDQZSA-N 1 0 419.577 3.873 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000460673871 982439543 /nfs/dbraw/zinc/43/95/43/982439543.db2.gz RDQFLWUOJAWUQH-SFHVURJKSA-N 1 0 419.639 3.622 20 30 HHEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000437895757 982445963 /nfs/dbraw/zinc/44/59/63/982445963.db2.gz NFIJNNAVTQGVJB-OAQYLSRUSA-N 1 0 402.498 3.810 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460724297 982478930 /nfs/dbraw/zinc/47/89/30/982478930.db2.gz ZQJDRYAHBVLYNQ-WIYYLYMNSA-N 1 0 410.566 3.552 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000437954758 982484795 /nfs/dbraw/zinc/48/47/95/982484795.db2.gz NXQIPJMYLGHSAK-FHZYATBESA-N 1 0 423.488 3.813 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000437959410 982489459 /nfs/dbraw/zinc/48/94/59/982489459.db2.gz XTNLTISCUQLARF-AGILITTLSA-N 1 0 419.525 3.869 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460736705 982494268 /nfs/dbraw/zinc/49/42/68/982494268.db2.gz ZBWQBJITTJUVSE-UHFFFAOYSA-N 1 0 422.577 3.698 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)C[C@@H]1C ZINC000460746644 982505215 /nfs/dbraw/zinc/50/52/15/982505215.db2.gz DSWIJBAOPOVSAL-AZUAARDMSA-N 1 0 410.566 3.694 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460768457 982521883 /nfs/dbraw/zinc/52/18/83/982521883.db2.gz LKYPHXUJHMIUPC-FQEVSTJZSA-N 1 0 402.546 3.551 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460800378 982552510 /nfs/dbraw/zinc/55/25/10/982552510.db2.gz DJWQJRSJMGQJAW-DHLKQENFSA-N 1 0 421.589 3.851 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000438051294 982552929 /nfs/dbraw/zinc/55/29/29/982552929.db2.gz GKUYMHLAOHAMGJ-QRQLOZEOSA-N 1 0 411.468 3.560 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H]1CC ZINC000460802302 982555507 /nfs/dbraw/zinc/55/55/07/982555507.db2.gz KAHWMMVDAJJESU-NRFANRHFSA-N 1 0 408.594 3.598 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000438156716 982620529 /nfs/dbraw/zinc/62/05/29/982620529.db2.gz PAJNOHWOYCERBG-NRFANRHFSA-N 1 0 410.562 3.908 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460924915 982663030 /nfs/dbraw/zinc/66/30/30/982663030.db2.gz HHIZBNUGOWSNIG-UHFFFAOYSA-N 1 0 413.566 3.849 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460928179 982666767 /nfs/dbraw/zinc/66/67/67/982666767.db2.gz AICNVEGBOFKALM-ZWKOTPCHSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460936690 982674702 /nfs/dbraw/zinc/67/47/02/982674702.db2.gz MLGIWIIGPSBQDQ-ZBFHGGJFSA-N 1 0 419.371 3.675 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460945354 982681470 /nfs/dbraw/zinc/68/14/70/982681470.db2.gz AFSBMLGHPZDJDJ-IEBWSBKVSA-N 1 0 413.566 3.847 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460963793 982694123 /nfs/dbraw/zinc/69/41/23/982694123.db2.gz ZNKFMOBIUJYKHQ-UNMCSNQZSA-N 1 0 420.605 3.870 20 30 HHEDRO CSc1cc2c(cc1C[NH2+]C1CCC(Oc3ncccc3C#N)CC1)OCCO2 ZINC000438478091 982827021 /nfs/dbraw/zinc/82/70/21/982827021.db2.gz NLSBPMJFIQWYCR-UHFFFAOYSA-N 1 0 411.527 3.926 20 30 HHEDRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 ZINC000461144751 982849762 /nfs/dbraw/zinc/84/97/62/982849762.db2.gz FIEJRBGZMPAIHB-KNQAVFIVSA-N 1 0 422.577 3.555 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000438643196 982961633 /nfs/dbraw/zinc/96/16/33/982961633.db2.gz DPTDKUUFOONMKJ-GASCZTMLSA-N 1 0 424.467 3.930 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438646647 982964963 /nfs/dbraw/zinc/96/49/63/982964963.db2.gz MNGWFEXXOWNFKZ-HZPDHXFCSA-N 1 0 423.483 3.599 20 30 HHEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438646645 982965109 /nfs/dbraw/zinc/96/51/09/982965109.db2.gz MNGWFEXXOWNFKZ-HOTGVXAUSA-N 1 0 423.483 3.599 20 30 HHEDRO O=C(Nc1ccc(Br)cn1)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000438786739 983070079 /nfs/dbraw/zinc/07/00/79/983070079.db2.gz YXXAUHDRQAUXHC-UHFFFAOYSA-N 1 0 416.294 3.685 20 30 HHEDRO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000438818374 983091740 /nfs/dbraw/zinc/09/17/40/983091740.db2.gz IVHWZPQOBDZILW-QFIPXVFZSA-N 1 0 412.484 3.934 20 30 HHEDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000439099151 983249607 /nfs/dbraw/zinc/24/96/07/983249607.db2.gz MURRMNQSTQUILF-UHFFFAOYSA-N 1 0 400.866 3.632 20 30 HHEDRO C=CCn1c(SCC(=O)N(CC[NH+](C)C)C(C)C)nnc1-c1ccc(Cl)cc1 ZINC000439616575 983472631 /nfs/dbraw/zinc/47/26/31/983472631.db2.gz SAZANJCQXOKDQK-UHFFFAOYSA-N 1 0 421.998 3.675 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cnn1-c1cccc(C#N)c1 ZINC000439676623 983496655 /nfs/dbraw/zinc/49/66/55/983496655.db2.gz WZAIAHFVTITTIE-GHTZIAJQSA-N 1 0 406.534 3.644 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439681164 983498695 /nfs/dbraw/zinc/49/86/95/983498695.db2.gz AHCTWPUJHMUZAH-HXUWFJFHSA-N 1 0 420.561 3.892 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439684110 983500384 /nfs/dbraw/zinc/50/03/84/983500384.db2.gz KBPXRXHZIVKHFC-LJQANCHMSA-N 1 0 406.534 3.646 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000440064768 983630242 /nfs/dbraw/zinc/63/02/42/983630242.db2.gz SXGPEAOPLOQCKG-APWZRJJASA-N 1 0 424.932 3.662 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440515723 983782633 /nfs/dbraw/zinc/78/26/33/983782633.db2.gz FSSWJFZXOKDWFI-AREMUKBSSA-N 1 0 411.505 3.592 20 30 HHEDRO CCC[C@@H]1CN(CCOc2cccc(C#N)c2)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000440571046 983799498 /nfs/dbraw/zinc/79/94/98/983799498.db2.gz KXVMAPAMKMNIGG-HSZRJFAPSA-N 1 0 418.541 3.674 20 30 HHEDRO COc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1C#N ZINC000440621802 983824834 /nfs/dbraw/zinc/82/48/34/983824834.db2.gz RRVFDKKBWVPYAM-UHFFFAOYSA-N 1 0 417.431 3.980 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCN(c3c(C#N)cnc4c(Br)cccc43)CC2)CCO1 ZINC000440635929 983831940 /nfs/dbraw/zinc/83/19/40/983831940.db2.gz DYBIUQRHGWXSAI-CQSZACIVSA-N 1 0 415.335 3.558 20 30 HHEDRO CC(C)[C@@H](CNc1c(C#N)cnc2c(Br)cccc21)[NH+]1CCN(C)CC1 ZINC000440673112 983847424 /nfs/dbraw/zinc/84/74/24/983847424.db2.gz DOIZIJYPPRVIGS-GOSISDBHSA-N 1 0 416.367 3.553 20 30 HHEDRO COc1cc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)ccc1C#N ZINC000440807390 983915251 /nfs/dbraw/zinc/91/52/51/983915251.db2.gz JUCITDPFFWUPAF-UHFFFAOYSA-N 1 0 401.470 3.573 20 30 HHEDRO N#CC1CCC(CNC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000441016206 984023785 /nfs/dbraw/zinc/02/37/85/984023785.db2.gz MFRVSKGTONQRHU-UHFFFAOYSA-N 1 0 412.578 3.687 20 30 HHEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000441276611 984154318 /nfs/dbraw/zinc/15/43/18/984154318.db2.gz KVJYPGACQITRQK-SFTDATJTSA-N 1 0 412.509 3.650 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)c1 ZINC000441445575 984255605 /nfs/dbraw/zinc/25/56/05/984255605.db2.gz GLKOQNJFJNDTEA-NQIIRXRSSA-N 1 0 401.551 3.597 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000441695279 984400721 /nfs/dbraw/zinc/40/07/21/984400721.db2.gz XKPUJTCTMPBAMH-WWMYMODYSA-N 1 0 424.570 3.684 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000441833717 984486227 /nfs/dbraw/zinc/48/62/27/984486227.db2.gz AQOBQFLORLEZNL-GOSISDBHSA-N 1 0 409.530 3.836 20 30 HHEDRO Cc1cccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C#N ZINC000441976242 984576219 /nfs/dbraw/zinc/57/62/19/984576219.db2.gz LKPGKUNAZPRFEV-QHCPKHFHSA-N 1 0 409.555 3.544 20 30 HHEDRO Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000441981269 984578463 /nfs/dbraw/zinc/57/84/63/984578463.db2.gz AJFLVIPRPYNLRQ-RBBKRZOGSA-N 1 0 409.555 3.542 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CSC3CCCCC3)c2)CC1 ZINC000442273226 984784575 /nfs/dbraw/zinc/78/45/75/984784575.db2.gz PNZVXWBLSLSTBR-UHFFFAOYSA-N 1 0 415.603 3.958 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CSC3CCCC3)c2)CC1 ZINC000442287164 984791668 /nfs/dbraw/zinc/79/16/68/984791668.db2.gz WKFVBXLAVIULSP-UHFFFAOYSA-N 1 0 401.576 3.568 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)CC1 ZINC000442290374 984793884 /nfs/dbraw/zinc/79/38/84/984793884.db2.gz AMZWVGRCLVLEHC-UHFFFAOYSA-N 1 0 415.896 3.851 20 30 HHEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)C1 ZINC000442579616 985066950 /nfs/dbraw/zinc/06/69/50/985066950.db2.gz WSMYZEHIOAZOQJ-LJQANCHMSA-N 1 0 420.513 3.540 20 30 HHEDRO CC[C@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000462158279 985132488 /nfs/dbraw/zinc/13/24/88/985132488.db2.gz VPCQGSCZQMXECK-RUZDIDTESA-N 1 0 420.557 3.510 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000462252690 985236606 /nfs/dbraw/zinc/23/66/06/985236606.db2.gz CJBRSTZKMOXECI-RDTXWAMCSA-N 1 0 400.429 3.802 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000443241259 985457699 /nfs/dbraw/zinc/45/76/99/985457699.db2.gz KVSPKENETZBGSR-UHFFFAOYSA-N 1 0 423.460 3.868 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H]1C ZINC000443355610 985518153 /nfs/dbraw/zinc/51/81/53/985518153.db2.gz KOIQYSCVKCDEJB-FXAWDEMLSA-N 1 0 420.513 3.620 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000462830157 985752466 /nfs/dbraw/zinc/75/24/66/985752466.db2.gz VANXMGMAROFLEE-UHFFFAOYSA-N 1 0 404.489 3.545 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+]2CCCC2)c1 ZINC000468225153 985922660 /nfs/dbraw/zinc/92/26/60/985922660.db2.gz RGZJTBDMSOOUAC-JOCHJYFZSA-N 1 0 416.481 3.789 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000463017159 985973669 /nfs/dbraw/zinc/97/36/69/985973669.db2.gz XGLUZIJLMOCAPJ-DNQXCXABSA-N 1 0 418.541 3.696 20 30 HHEDRO N#CCCn1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000463024395 985983833 /nfs/dbraw/zinc/98/38/33/985983833.db2.gz KYWFZOPEABLDRZ-RUZDIDTESA-N 1 0 415.541 3.676 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000468313232 986009626 /nfs/dbraw/zinc/00/96/26/986009626.db2.gz RBENUNJPRXZKQW-UHFFFAOYSA-N 1 0 413.525 3.894 20 30 HHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+](C)C ZINC000443845574 986047620 /nfs/dbraw/zinc/04/76/20/986047620.db2.gz SGZMMJINGTXBIM-LAUBAEHRSA-N 1 0 424.570 3.747 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000463121304 986085773 /nfs/dbraw/zinc/08/57/73/986085773.db2.gz VTBBLJWXBWMXPE-UHFFFAOYSA-N 1 0 424.520 3.886 20 30 HHEDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000443902046 986099901 /nfs/dbraw/zinc/09/99/01/986099901.db2.gz QOPSEVMAQXLRBQ-GMAHTHKFSA-N 1 0 409.555 3.542 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000463263358 986230713 /nfs/dbraw/zinc/23/07/13/986230713.db2.gz VILUMPIUNQZYQP-PKTZIBPZSA-N 1 0 406.530 3.552 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444197057 986374977 /nfs/dbraw/zinc/37/49/77/986374977.db2.gz RHIMNBLBICWCII-RBUKOAKNSA-N 1 0 400.592 3.827 20 30 HHEDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000468784695 986496513 /nfs/dbraw/zinc/49/65/13/986496513.db2.gz BQMHBONIVZQDCA-PMACEKPBSA-N 1 0 422.573 3.906 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)NC1(C#N)CCC1 ZINC000468829298 986538681 /nfs/dbraw/zinc/53/86/81/986538681.db2.gz DHPCHXVNPZEHPD-IAGOWNOFSA-N 1 0 422.504 3.608 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000468947931 986650752 /nfs/dbraw/zinc/65/07/52/986650752.db2.gz JKJBMGQLFTYWRC-FQEVSTJZSA-N 1 0 416.468 3.819 20 30 HHEDRO C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000444552426 986743864 /nfs/dbraw/zinc/74/38/64/986743864.db2.gz PCTMYDLGYNKBOS-KRWDZBQOSA-N 1 0 409.555 3.627 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)c(F)cc1F ZINC000469092156 986806053 /nfs/dbraw/zinc/80/60/53/986806053.db2.gz YJWOSKXLKIDTAP-UHFFFAOYSA-N 1 0 422.273 3.803 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000444635368 986821951 /nfs/dbraw/zinc/82/19/51/986821951.db2.gz ASECEQVWTHIYSI-FQEVSTJZSA-N 1 0 424.545 3.849 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@H](C)C1 ZINC000469138452 986858590 /nfs/dbraw/zinc/85/85/90/986858590.db2.gz WNGPHKJAHZGBCI-DENIHFKCSA-N 1 0 412.578 3.818 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469161183 986885302 /nfs/dbraw/zinc/88/53/02/986885302.db2.gz ZQDPKLADTIOSQP-OAQYLSRUSA-N 1 0 415.497 3.735 20 30 HHEDRO CN(C(=O)c1cc(-c2cccc(C#N)c2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000469174694 986899736 /nfs/dbraw/zinc/89/97/36/986899736.db2.gz XERVORLDFWCRLY-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO C=CC[C@H]1[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CCCC1(C)C ZINC000444778650 986937099 /nfs/dbraw/zinc/93/70/99/986937099.db2.gz WYWRRKHZIVUGNK-QGZVFWFLSA-N 1 0 422.367 3.571 20 30 HHEDRO COC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000469216240 986938710 /nfs/dbraw/zinc/93/87/10/986938710.db2.gz HFFVQIIXKNKUPS-NBGIEHNGSA-N 1 0 421.541 3.659 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469231676 986952216 /nfs/dbraw/zinc/95/22/16/986952216.db2.gz JTKQXVSTYMOXAO-DYESRHJHSA-N 1 0 400.482 3.996 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000444825261 986980816 /nfs/dbraw/zinc/98/08/16/986980816.db2.gz JMPDELMJJFJZRN-SFHVURJKSA-N 1 0 422.529 3.968 20 30 HHEDRO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000469297372 987013191 /nfs/dbraw/zinc/01/31/91/987013191.db2.gz VMBBVUXDMJPHNL-HSZRJFAPSA-N 1 0 404.558 3.877 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000469321982 987031752 /nfs/dbraw/zinc/03/17/52/987031752.db2.gz QEDIVXPISHVCQI-GOSISDBHSA-N 1 0 408.571 3.938 20 30 HHEDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000469340416 987047866 /nfs/dbraw/zinc/04/78/66/987047866.db2.gz NUMQZPMFPMJZAC-NRFANRHFSA-N 1 0 418.497 3.653 20 30 HHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000469437417 987124009 /nfs/dbraw/zinc/12/40/09/987124009.db2.gz YCGYCFRIHXSYEZ-RPWUZVMVSA-N 1 0 420.557 3.798 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000469584936 987250792 /nfs/dbraw/zinc/25/07/92/987250792.db2.gz MEVOEFXHMBBZQA-KRWDZBQOSA-N 1 0 411.525 3.811 20 30 HHEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000469772692 987424138 /nfs/dbraw/zinc/42/41/38/987424138.db2.gz PBGMBVOPKMOSJB-RBUKOAKNSA-N 1 0 406.596 3.606 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2Sc2ccccc2C#N)CCCO1 ZINC000470097604 987998822 /nfs/dbraw/zinc/99/88/22/987998822.db2.gz PIRDOSIAIFTNEP-GOSISDBHSA-N 1 0 409.555 3.940 20 30 HHEDRO CCCNC(=O)C1([NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCCCC1 ZINC000470204564 988127316 /nfs/dbraw/zinc/12/73/16/988127316.db2.gz WDJRYCDCJPRYEM-UHFFFAOYSA-N 1 0 418.969 3.714 20 30 HHEDRO CCN(CC)C(=O)C1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCCCC1 ZINC000470219564 988147880 /nfs/dbraw/zinc/14/78/80/988147880.db2.gz UKGOPITWNYJOII-UHFFFAOYSA-N 1 0 418.969 3.748 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000470233595 988168159 /nfs/dbraw/zinc/16/81/59/988168159.db2.gz KWZBGOIAQYMJBM-NRFANRHFSA-N 1 0 419.573 3.885 20 30 HHEDRO COc1ccccc1S(=O)(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000464110173 988229904 /nfs/dbraw/zinc/22/99/04/988229904.db2.gz LWXSBCBEDDMMPR-UHFFFAOYSA-N 1 0 400.544 3.889 20 30 HHEDRO C[C@H](CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+]1CCCCC1 ZINC000470541639 988548533 /nfs/dbraw/zinc/54/85/33/988548533.db2.gz BYGLYDULZYYHIN-GOSISDBHSA-N 1 0 411.550 3.656 20 30 HHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 ZINC000470544416 988552605 /nfs/dbraw/zinc/55/26/05/988552605.db2.gz VEVCGEGNNYBZQD-UHFFFAOYSA-N 1 0 411.550 3.511 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H]1C ZINC000470545345 988553414 /nfs/dbraw/zinc/55/34/14/988553414.db2.gz DJMKKAVZDMGZFL-XLIONFOSSA-N 1 0 411.550 3.606 20 30 HHEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470720735 988745845 /nfs/dbraw/zinc/74/58/45/988745845.db2.gz YSIMCUKJLQITCJ-HXUWFJFHSA-N 1 0 414.513 3.571 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000464583437 988762586 /nfs/dbraw/zinc/76/25/86/988762586.db2.gz CQXCGQKHYKRESL-UHFFFAOYSA-N 1 0 407.514 3.837 20 30 HHEDRO Cc1oc(NC(=O)C[N@H+](CCCOc2ccccc2)C2CCOCC2)c(C#N)c1C ZINC000464588908 988768304 /nfs/dbraw/zinc/76/83/04/988768304.db2.gz UGKBQCZSXCPSOL-UHFFFAOYSA-N 1 0 411.502 3.657 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000464631521 988805620 /nfs/dbraw/zinc/80/56/20/988805620.db2.gz WBRGBRZKHRSDGJ-QGZVFWFLSA-N 1 0 411.550 3.943 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000470831991 988905612 /nfs/dbraw/zinc/90/56/12/988905612.db2.gz PDKHSOLXBPHVFK-CYFREDJKSA-N 1 0 400.526 3.931 20 30 HHEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000464733061 988953699 /nfs/dbraw/zinc/95/36/99/988953699.db2.gz HZEUUTPSCAQXGG-MRXNPFEDSA-N 1 0 406.452 3.824 20 30 HHEDRO CC[NH+](CC)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000464773477 988998331 /nfs/dbraw/zinc/99/83/31/988998331.db2.gz JGHYFXKMANZTRF-DLBZAZTESA-N 1 0 402.608 3.737 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cnn(C)c1C(F)(F)F ZINC000464784446 989013857 /nfs/dbraw/zinc/01/38/57/989013857.db2.gz XWEWDPMIFOEZMR-UHFFFAOYSA-N 1 0 414.501 3.537 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1C#N ZINC000464846638 989097746 /nfs/dbraw/zinc/09/77/46/989097746.db2.gz BESPBGYDBUJCRA-DENIHFKCSA-N 1 0 424.520 3.603 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1C#N ZINC000464851903 989105355 /nfs/dbraw/zinc/10/53/55/989105355.db2.gz MVWSYLYEGSSGIF-UWJYYQICSA-N 1 0 410.493 3.544 20 30 HHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471032871 989105582 /nfs/dbraw/zinc/10/55/82/989105582.db2.gz ZDNPLXSTIBZAGH-AHRSYUTCSA-N 1 0 408.933 3.602 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860788 989116908 /nfs/dbraw/zinc/11/69/08/989116908.db2.gz ZXNBCWKHCNTCKM-IXDFQOIJSA-N 1 0 410.606 3.760 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045334 989123547 /nfs/dbraw/zinc/12/35/47/989123547.db2.gz YXMVNKKQZFNQOS-IAGOWNOFSA-N 1 0 402.608 3.737 20 30 HHEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000464871805 989131226 /nfs/dbraw/zinc/13/12/26/989131226.db2.gz DPSQLUROBWHSTG-CVDCTZTESA-N 1 0 407.514 3.690 20 30 HHEDRO C[C@@H]1C[C@H](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000471057275 989139866 /nfs/dbraw/zinc/13/98/66/989139866.db2.gz PKYATSZKGCCQIT-YGOYIFOWSA-N 1 0 400.526 3.657 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000471111715 989214495 /nfs/dbraw/zinc/21/44/95/989214495.db2.gz CXZMYPHETWYWCD-DEOSSOPVSA-N 1 0 412.537 3.755 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Br)s1 ZINC000471198691 989336807 /nfs/dbraw/zinc/33/68/07/989336807.db2.gz HIXGYXSETDJIDN-UHFFFAOYSA-N 1 0 406.349 3.895 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000471230086 989373574 /nfs/dbraw/zinc/37/35/74/989373574.db2.gz LGNQNQLAYOEVRW-GOSISDBHSA-N 1 0 406.530 3.742 20 30 HHEDRO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471573052 989774819 /nfs/dbraw/zinc/77/48/19/989774819.db2.gz JDGLDIUQAFTFLQ-LPHOPBHVSA-N 1 0 404.436 3.728 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000465558220 989923428 /nfs/dbraw/zinc/92/34/28/989923428.db2.gz NPJNMVSHTBXGAV-IBGZPJMESA-N 1 0 406.530 3.668 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000471768943 989959248 /nfs/dbraw/zinc/95/92/48/989959248.db2.gz GMQUZTRYACLOCI-HXUWFJFHSA-N 1 0 423.557 3.754 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000471791078 989977518 /nfs/dbraw/zinc/97/75/18/989977518.db2.gz UXBVSWYSHXPMGM-BJKOFHAPSA-N 1 0 400.526 3.830 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000465672001 990057533 /nfs/dbraw/zinc/05/75/33/990057533.db2.gz ZDRFBCBFIJMTSW-DHIUTWEWSA-N 1 0 403.530 3.527 20 30 HHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000471965279 990131220 /nfs/dbraw/zinc/13/12/20/990131220.db2.gz CWWSPSDKMBNEPY-UHFFFAOYSA-N 1 0 411.550 3.609 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(CC)CCOc2ccc(Br)cc2)CC1 ZINC000465856879 990967693 /nfs/dbraw/zinc/96/76/93/990967693.db2.gz RJMVEWOPBNJJOS-UHFFFAOYSA-N 1 0 410.356 3.510 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000465861269 990972637 /nfs/dbraw/zinc/97/26/37/990972637.db2.gz GTTUZHSECCMGAV-GOSISDBHSA-N 1 0 404.986 3.769 20 30 HHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000465888294 991012234 /nfs/dbraw/zinc/01/22/34/991012234.db2.gz JMYHFZQKWPNVHM-DNQXCXABSA-N 1 0 420.557 3.651 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000466076099 991249894 /nfs/dbraw/zinc/24/98/94/991249894.db2.gz JCIIVFBSWMPNLD-PXNSSMCTSA-N 1 0 412.559 3.869 20 30 HHEDRO N#Cc1cccc(CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000466806294 992115289 /nfs/dbraw/zinc/11/52/89/992115289.db2.gz LGWRCBBYGIUHLX-DNQXCXABSA-N 1 0 402.542 3.797 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000467046129 992354879 /nfs/dbraw/zinc/35/48/79/992354879.db2.gz MVWUXWCOEMZBKZ-WIYYLYMNSA-N 1 0 407.514 3.505 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000467135853 992452684 /nfs/dbraw/zinc/45/26/84/992452684.db2.gz KWEKVSOPPAPTCJ-QAPCUYQASA-N 1 0 419.497 3.510 20 30 HHEDRO COC[C@H]1CCCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000467280621 992603270 /nfs/dbraw/zinc/60/32/70/992603270.db2.gz RITPKLTZLMNGBF-IBGZPJMESA-N 1 0 412.534 3.695 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000467541912 992820897 /nfs/dbraw/zinc/82/08/97/992820897.db2.gz HKUGCRXEBJONLG-UHFFFAOYSA-N 1 0 406.530 3.544 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000467755813 993001044 /nfs/dbraw/zinc/00/10/44/993001044.db2.gz SRCLSCFNAGFJKN-QRWLVFNGSA-N 1 0 408.571 3.750 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCOC3(CCCCC3)C2)c1C#N ZINC000472232942 993262063 /nfs/dbraw/zinc/26/20/63/993262063.db2.gz VTGOXWIRCNLKDA-UHFFFAOYSA-N 1 0 424.545 3.982 20 30 HHEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C#N)ccc3OC)CC[N@@H+]2C2CC2)c1 ZINC000472310599 993321978 /nfs/dbraw/zinc/32/19/78/993321978.db2.gz GQJTZQREUHCFSH-UGKGYDQZSA-N 1 0 406.486 3.675 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC[NH+](C3CCCC3)CC2)c1C#N ZINC000472428004 993428195 /nfs/dbraw/zinc/42/81/95/993428195.db2.gz GBRICJKBPPGMJM-UHFFFAOYSA-N 1 0 423.561 3.507 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(c3cn[nH]c3)CC2)c1C#N ZINC000472431109 993432282 /nfs/dbraw/zinc/43/22/82/993432282.db2.gz MHEXXWZMDRWBLB-UHFFFAOYSA-N 1 0 420.517 3.549 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000472432454 993433286 /nfs/dbraw/zinc/43/32/86/993433286.db2.gz PWEPLAFVLLMJKA-UHFFFAOYSA-N 1 0 407.514 3.624 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472459640 993461548 /nfs/dbraw/zinc/46/15/48/993461548.db2.gz OIYPONPNOSPWBY-PKOBYXMFSA-N 1 0 400.592 3.683 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccccc1O2 ZINC000480804521 993674635 /nfs/dbraw/zinc/67/46/35/993674635.db2.gz ODLVLQYRGQVWEP-NRFANRHFSA-N 1 0 419.525 3.820 20 30 HHEDRO N#Cc1cc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)ccc1F ZINC000472755727 993692604 /nfs/dbraw/zinc/69/26/04/993692604.db2.gz SIYRBBIJKPICML-UHFFFAOYSA-N 1 0 421.925 3.637 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480855791 993728598 /nfs/dbraw/zinc/72/85/98/993728598.db2.gz IVIONZFHAMGODL-FCHUYYIVSA-N 1 0 409.555 3.542 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000472820714 993756221 /nfs/dbraw/zinc/75/62/21/993756221.db2.gz ANZDHPUFPJMZGC-OAQYLSRUSA-N 1 0 407.514 3.615 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000472884861 993811158 /nfs/dbraw/zinc/81/11/58/993811158.db2.gz SMEZYFGARYCYFB-QFIPXVFZSA-N 1 0 403.526 3.663 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481029290 993874762 /nfs/dbraw/zinc/87/47/62/993874762.db2.gz WWGVNTCFFCCMDB-UTKZUKDTSA-N 1 0 415.534 3.685 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481050632 993892744 /nfs/dbraw/zinc/89/27/44/993892744.db2.gz BCVRAHZPKBRYMT-KRWDZBQOSA-N 1 0 415.534 3.691 20 30 HHEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC000481184753 994016446 /nfs/dbraw/zinc/01/64/46/994016446.db2.gz FLNKXXVDEOVSJW-AWRGLXIESA-N 1 0 404.558 3.822 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2C)CC1 ZINC000473364516 994225407 /nfs/dbraw/zinc/22/54/07/994225407.db2.gz DZPBDCVLMISOMO-UHFFFAOYSA-N 1 0 421.541 3.669 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473503781 994351311 /nfs/dbraw/zinc/35/13/11/994351311.db2.gz MULMWOPSUVCXTH-CJFMBICVSA-N 1 0 403.526 3.840 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481579343 994418481 /nfs/dbraw/zinc/41/84/81/994418481.db2.gz GUKFICTZJNGORS-FVRICEFQSA-N 1 0 415.553 3.514 20 30 HHEDRO C=C(C)[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1OC)c1ccc(F)c(F)c1 ZINC000481610587 994465718 /nfs/dbraw/zinc/46/57/18/994465718.db2.gz QIZDBOFMBONEQB-JTSKRJEESA-N 1 0 405.441 3.823 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000481738162 994593987 /nfs/dbraw/zinc/59/39/87/994593987.db2.gz FOOWGRJEKZFUNW-LJQANCHMSA-N 1 0 421.589 3.895 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481848633 994704366 /nfs/dbraw/zinc/70/43/66/994704366.db2.gz OZEOJTVCEIVDDB-BPUDTRNYSA-N 1 0 403.526 3.839 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000473808911 994735151 /nfs/dbraw/zinc/73/51/51/994735151.db2.gz PMDJJHLPJAUJRO-KRWDZBQOSA-N 1 0 411.377 3.912 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000474156288 995140029 /nfs/dbraw/zinc/14/00/29/995140029.db2.gz DULDPBMZGGLIKC-XZOQPEGZSA-N 1 0 401.510 3.693 20 30 HHEDRO C=CC[N@H+](Cc1ccnn1-c1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000474274337 995270485 /nfs/dbraw/zinc/27/04/85/995270485.db2.gz FSFGJUSTEDWQLY-KRWDZBQOSA-N 1 0 403.465 3.736 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3COc4ccc(Cl)cc43)CC2)cc1 ZINC000474363443 995343369 /nfs/dbraw/zinc/34/33/69/995343369.db2.gz UVEUTGUNIJKDKJ-HXUWFJFHSA-N 1 0 410.905 3.563 20 30 HHEDRO Cc1cc(C)n(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2F)n1 ZINC000482476587 995481807 /nfs/dbraw/zinc/48/18/07/995481807.db2.gz IUVBECSXFKOCLZ-UHFFFAOYSA-N 1 0 419.504 3.704 20 30 HHEDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495150 995505620 /nfs/dbraw/zinc/50/56/20/995505620.db2.gz MTBYOFSOTIBMTK-GGAORHGYSA-N 1 0 408.498 3.680 20 30 HHEDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482495369 995505754 /nfs/dbraw/zinc/50/57/54/995505754.db2.gz IJXOHDWYAJJCHI-GGAORHGYSA-N 1 0 408.498 3.680 20 30 HHEDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495152 995505793 /nfs/dbraw/zinc/50/57/93/995505793.db2.gz MTBYOFSOTIBMTK-JTHBVZDNSA-N 1 0 408.498 3.680 20 30 HHEDRO CC1(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000482530472 995538557 /nfs/dbraw/zinc/53/85/57/995538557.db2.gz HGUCPHVOKGEINW-UHFFFAOYSA-N 1 0 416.569 3.505 20 30 HHEDRO N#CC[C@@H](CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000474956001 995824496 /nfs/dbraw/zinc/82/44/96/995824496.db2.gz RZDZBDALGSWKIN-QHCPKHFHSA-N 1 0 404.558 3.793 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(Br)cn2)c(OC)c1 ZINC000482954923 995878749 /nfs/dbraw/zinc/87/87/49/995878749.db2.gz DWXRBBWKVCQUCU-YOEHRIQHSA-N 1 0 421.335 3.672 20 30 HHEDRO CC[C@@H]1CN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@]2(CCOC2)O1 ZINC000483138340 995997622 /nfs/dbraw/zinc/99/76/22/995997622.db2.gz BKESOKLGMQMJAH-RCZVLFRGSA-N 1 0 422.525 3.916 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475221099 996005952 /nfs/dbraw/zinc/00/59/52/996005952.db2.gz TUAPSIFPMRQZBJ-VWLOTQADSA-N 1 0 418.541 3.635 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000483178596 996020873 /nfs/dbraw/zinc/02/08/73/996020873.db2.gz MSBCXIWFWHEOGE-PTUXOGIPSA-N 1 0 405.542 3.762 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)c(F)c1 ZINC000483287904 996081903 /nfs/dbraw/zinc/08/19/03/996081903.db2.gz DAKPAYOGJAZYCB-SVMVAKDDSA-N 1 0 420.548 3.782 20 30 HHEDRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475352103 996084542 /nfs/dbraw/zinc/08/45/42/996084542.db2.gz HYYVYXIXGONRLY-QFIPXVFZSA-N 1 0 406.921 3.612 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H]1[NH+]1CCCC1 ZINC000483396064 996149706 /nfs/dbraw/zinc/14/97/06/996149706.db2.gz OQSPQKDYODCNCN-FYYLOGMGSA-N 1 0 421.566 3.789 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483398587 996151241 /nfs/dbraw/zinc/15/12/41/996151241.db2.gz ANMFRGPDGUBUIA-DHIUTWEWSA-N 1 0 421.566 3.789 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000483406823 996157430 /nfs/dbraw/zinc/15/74/30/996157430.db2.gz MOAKVCAXBOYFBD-SJLPKXTDSA-N 1 0 414.493 3.922 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)c2)cc1 ZINC000475609255 996245614 /nfs/dbraw/zinc/24/56/14/996245614.db2.gz BUHOFBXRNAWZIN-UHFFFAOYSA-N 1 0 406.486 3.679 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000483587278 996268604 /nfs/dbraw/zinc/26/86/04/996268604.db2.gz BZZIHMUSPNGDSH-UNMCSNQZSA-N 1 0 405.546 3.637 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@]2(CO)CC(C)C)c1C#N ZINC000475724895 996325338 /nfs/dbraw/zinc/32/53/38/996325338.db2.gz MGNIUSXVHZWLPB-QHCPKHFHSA-N 1 0 400.567 3.903 20 30 HHEDRO C[C@H]1[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CCN1c1ccccc1 ZINC000475807935 996383852 /nfs/dbraw/zinc/38/38/52/996383852.db2.gz CSOKJNCKTCPNHA-REWPJTCUSA-N 1 0 402.542 3.576 20 30 HHEDRO N#CCc1ccc(NC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000483856740 996430255 /nfs/dbraw/zinc/43/02/55/996430255.db2.gz ZFZCEUKCBYRSSC-UHFFFAOYSA-N 1 0 406.530 3.945 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000484311394 996695407 /nfs/dbraw/zinc/69/54/07/996695407.db2.gz KUTFRFOPCISGSD-NRFANRHFSA-N 1 0 401.530 3.994 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000484338554 996713055 /nfs/dbraw/zinc/71/30/55/996713055.db2.gz WHYJBNVLUYYZEQ-BWKNWUBXSA-N 1 0 416.569 3.576 20 30 HHEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476279842 996727977 /nfs/dbraw/zinc/72/79/77/996727977.db2.gz GTTXSEUZPIDRNL-QHCPKHFHSA-N 1 0 410.606 3.729 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476315517 996751770 /nfs/dbraw/zinc/75/17/70/996751770.db2.gz SZXCUCDWBXOBRK-NRFANRHFSA-N 1 0 403.592 3.634 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1cccs1 ZINC000476330184 996760844 /nfs/dbraw/zinc/76/08/44/996760844.db2.gz YHGISAKDJGXJFN-RDTXWAMCSA-N 1 0 409.964 3.635 20 30 HHEDRO CN(c1ccc(OCC[NH+]2CCCC2)cc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476408628 996868396 /nfs/dbraw/zinc/86/83/96/996868396.db2.gz KJQHGFNFYWUHEP-UHFFFAOYSA-N 1 0 419.934 3.511 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000476432282 996903040 /nfs/dbraw/zinc/90/30/40/996903040.db2.gz RZVHMSGLIUMCRI-RTBURBONSA-N 1 0 403.592 3.536 20 30 HHEDRO C[NH+](C)C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000476495067 996981089 /nfs/dbraw/zinc/98/10/89/996981089.db2.gz XPTVBMDDZUZRIH-HRTMPFAESA-N 1 0 406.530 3.850 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1cccs1 ZINC000476537274 997027840 /nfs/dbraw/zinc/02/78/40/997027840.db2.gz NFKPHZBURINSLG-CTWPCTMYSA-N 1 0 412.559 3.912 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000476570164 997067486 /nfs/dbraw/zinc/06/74/86/997067486.db2.gz RHAYRWUMMFNCTA-KOENEWCDSA-N 1 0 420.557 3.720 20 30 HHEDRO N#Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 ZINC000484823779 997185333 /nfs/dbraw/zinc/18/53/33/997185333.db2.gz VDUCSHPFBGRATQ-QFIPXVFZSA-N 1 0 417.534 3.914 20 30 HHEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476713167 997255713 /nfs/dbraw/zinc/25/57/13/997255713.db2.gz PBJSSDOOQHBIGP-FDNSPFKTSA-N 1 0 412.578 3.914 20 30 HHEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000484994019 997356337 /nfs/dbraw/zinc/35/63/37/997356337.db2.gz JFFVBBWDZKRATE-IERDGZPVSA-N 1 0 403.486 3.511 20 30 HHEDRO COc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1Cl ZINC000485000244 997363828 /nfs/dbraw/zinc/36/38/28/997363828.db2.gz FVEGXKPTXUPIFS-UHFFFAOYSA-N 1 0 412.921 3.761 20 30 HHEDRO C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237567 997618851 /nfs/dbraw/zinc/61/88/51/997618851.db2.gz ZWBNPCBZNIDHTM-BPUDTRNYSA-N 1 0 402.542 3.554 20 30 HHEDRO Cc1oc(NC(=O)CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477042926 997677879 /nfs/dbraw/zinc/67/78/79/997677879.db2.gz KSKFPGXEUJMRDZ-DEOSSOPVSA-N 1 0 406.530 3.695 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(OCC(F)(F)F)c3)C2=O)cc1 ZINC000485294281 997697182 /nfs/dbraw/zinc/69/71/82/997697182.db2.gz YXKDNAANTHGHFT-LJQANCHMSA-N 1 0 403.404 3.785 20 30 HHEDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076878 997729178 /nfs/dbraw/zinc/72/91/78/997729178.db2.gz POYMVKJXRIYFRM-PGGUUEOZSA-N 1 0 403.935 3.971 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000477131852 997786897 /nfs/dbraw/zinc/78/68/97/997786897.db2.gz HMSJUDJVWKJWOS-NRFANRHFSA-N 1 0 422.529 3.564 20 30 HHEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000485833885 998300042 /nfs/dbraw/zinc/30/00/42/998300042.db2.gz NRDYVRRSFNNPPH-GOSISDBHSA-N 1 0 413.543 3.560 20 30 HHEDRO CCN(C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713450 998435198 /nfs/dbraw/zinc/43/51/98/998435198.db2.gz DPEGGOFGOHQRHK-AGYKMIKPSA-N 1 0 416.532 3.512 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000477756687 998504668 /nfs/dbraw/zinc/50/46/68/998504668.db2.gz YSHYUJRUDGGQCY-HXUWFJFHSA-N 1 0 402.445 3.517 20 30 HHEDRO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCN1CCCOc1cccc(C#N)c1 ZINC000477759217 998506309 /nfs/dbraw/zinc/50/63/09/998506309.db2.gz JUTNDQBFVKGMNH-NRFANRHFSA-N 1 0 418.541 3.674 20 30 HHEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000477891471 998636009 /nfs/dbraw/zinc/63/60/09/998636009.db2.gz BLYBIUYWGIOSGU-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO C=CCSc1ccccc1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000486210062 998649023 /nfs/dbraw/zinc/64/90/23/998649023.db2.gz ABJBERMTLPFYCX-HXUWFJFHSA-N 1 0 423.582 3.592 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000486289821 998697304 /nfs/dbraw/zinc/69/73/04/998697304.db2.gz BZYIXFBDECYXOD-UYAOXDASSA-N 1 0 421.969 3.721 20 30 HHEDRO Cn1cc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478272388 998856489 /nfs/dbraw/zinc/85/64/89/998856489.db2.gz HIZREWTXJYGRMK-QGZVFWFLSA-N 1 0 423.879 3.646 20 30 HHEDRO Cn1cc(C[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000478299027 998872842 /nfs/dbraw/zinc/87/28/42/998872842.db2.gz MYEIRPHDFOXZOI-UHFFFAOYSA-N 1 0 420.561 3.555 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486828253 998959793 /nfs/dbraw/zinc/95/97/93/998959793.db2.gz UARQLPWPEHWMPU-DNRQZRRGSA-N 1 0 423.557 3.544 20 30 HHEDRO C=CCN(CCOC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000478854466 999177227 /nfs/dbraw/zinc/17/72/27/999177227.db2.gz LOBUGJQGVLHPME-HKUYNNGSSA-N 1 0 413.484 3.932 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC2)cc1 ZINC000478962596 999224955 /nfs/dbraw/zinc/22/49/55/999224955.db2.gz QVYRTFPHJAMRMS-OAQYLSRUSA-N 1 0 412.896 3.715 20 30 HHEDRO Cc1ccc2ncc(C#N)c(N3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)c2c1 ZINC000487747645 999275765 /nfs/dbraw/zinc/27/57/65/999275765.db2.gz GVSBJWGCWRADCK-HSZRJFAPSA-N 1 0 411.553 3.811 20 30 HHEDRO CC(C)c1ccccc1OCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000479170073 999307517 /nfs/dbraw/zinc/30/75/17/999307517.db2.gz UBDWTWOPRVCXHG-UHFFFAOYSA-N 1 0 408.546 3.834 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccccc1Oc1ccccc1C#N ZINC000479180538 999313114 /nfs/dbraw/zinc/31/31/14/999313114.db2.gz AHTGGLUNPZHMLZ-RFWXGWTQSA-N 1 0 405.498 3.674 20 30 HHEDRO N#CC1(NC(=O)c2cccc(Oc3cnccn3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479214359 999329246 /nfs/dbraw/zinc/32/92/46/999329246.db2.gz KGSDCMGGASNWTP-UHFFFAOYSA-N 1 0 413.481 3.557 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487967633 999330617 /nfs/dbraw/zinc/33/06/17/999330617.db2.gz LNZFUPTXJNRSGF-UHFFFAOYSA-N 1 0 401.308 3.916 20 30 HHEDRO CCc1cccc2c(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c[nH]c21 ZINC000479223773 999332500 /nfs/dbraw/zinc/33/25/00/999332500.db2.gz XCKZJWABAGYRJF-UHFFFAOYSA-N 1 0 400.526 3.947 20 30 HHEDRO CC(C)(C)OC(=O)c1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479240637 999340983 /nfs/dbraw/zinc/34/09/83/999340983.db2.gz HJHVFSMHOZVVCT-UHFFFAOYSA-N 1 0 419.525 3.930 20 30 HHEDRO COc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1OC(F)F ZINC000479283999 999364651 /nfs/dbraw/zinc/36/46/51/999364651.db2.gz MDXCWRBCSOURPC-UHFFFAOYSA-N 1 0 415.440 3.585 20 30 HHEDRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000479456231 999425967 /nfs/dbraw/zinc/42/59/67/999425967.db2.gz RRXUGUDNNWVPPA-HSZRJFAPSA-N 1 0 412.493 3.914 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000488305538 999432061 /nfs/dbraw/zinc/43/20/61/999432061.db2.gz FEEKTBHFCZQTOE-SJORKVTESA-N 1 0 402.564 3.655 20 30 HHEDRO Cc1cc(N[C@H](C)C(=O)Nc2ccccc2C#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479534291 999464787 /nfs/dbraw/zinc/46/47/87/999464787.db2.gz DCXJSDIBICDJKL-LJQANCHMSA-N 1 0 405.546 3.836 20 30 HHEDRO Cc1cc(N[C@H]2CCN(c3sccc3C#N)C2=O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000479543957 999469955 /nfs/dbraw/zinc/46/99/55/999469955.db2.gz MRVOLFZYMOCCJP-NRFANRHFSA-N 1 0 423.586 3.676 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000488475154 999499315 /nfs/dbraw/zinc/49/93/15/999499315.db2.gz ZWQVVORXCAKIQV-DOMZBBRYSA-N 1 0 404.333 3.834 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(Br)c1 ZINC000488484336 999503506 /nfs/dbraw/zinc/50/35/06/999503506.db2.gz UOFAOCBJAFIKMY-ORAYPTAESA-N 1 0 416.294 3.912 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000488503106 999510086 /nfs/dbraw/zinc/51/00/86/999510086.db2.gz UWYZVVKSHZXWJW-KSSFIOAISA-N 1 0 415.440 3.620 20 30 HHEDRO C[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488613253 999545719 /nfs/dbraw/zinc/54/57/19/999545719.db2.gz PQWRGVKTVXSFPQ-IGKWTDBASA-N 1 0 418.541 3.552 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)CC2)cc1 ZINC000488616769 999547068 /nfs/dbraw/zinc/54/70/68/999547068.db2.gz WKAHUMMCWMZEBG-JOCHJYFZSA-N 1 0 422.504 3.829 20 30 HHEDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479955147 999661909 /nfs/dbraw/zinc/66/19/09/999661909.db2.gz FHUKJSHMHIYMKJ-HXUWFJFHSA-N 1 0 421.932 3.989 20 30 HHEDRO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000480012720 999686116 /nfs/dbraw/zinc/68/61/16/999686116.db2.gz DVPQGLCOEPQYAS-UHFFFAOYSA-N 1 0 400.461 3.882 20 30 HHEDRO Cc1ccc2c(ncc(C#N)c2N2CC[NH+](CCOC(C)C)CC2)c1Br ZINC000480046835 999699963 /nfs/dbraw/zinc/69/99/63/999699963.db2.gz RXCQFZIYPZEGHW-UHFFFAOYSA-N 1 0 417.351 3.724 20 30 HHEDRO Cc1ncc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cc1C#N ZINC000489121384 999705818 /nfs/dbraw/zinc/70/58/18/999705818.db2.gz GTJKOOCYLBMYLW-UHFFFAOYSA-N 1 0 412.559 3.505 20 30 HHEDRO Cn1cc(C[NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000480074093 999709896 /nfs/dbraw/zinc/70/98/96/999709896.db2.gz SAUSNYFIIPDMCR-UHFFFAOYSA-N 1 0 421.589 3.862 20 30 HHEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000480099947 999716874 /nfs/dbraw/zinc/71/68/74/999716874.db2.gz RGHYQAXGOYPAGV-UTKZUKDTSA-N 1 0 417.517 3.569 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000489217729 999724344 /nfs/dbraw/zinc/72/43/44/999724344.db2.gz MQFNLKHINVXOCM-UHFFFAOYSA-N 1 0 403.433 3.851 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000480149636 999731094 /nfs/dbraw/zinc/73/10/94/999731094.db2.gz OQOGZMUQLBDILQ-JXFKEZNVSA-N 1 0 424.372 3.670 20 30 HHEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3cc(C#N)n(C)c3)cc2)cc1 ZINC000480339361 999774958 /nfs/dbraw/zinc/77/49/58/999774958.db2.gz VYVAMRMCRSCCJH-UHFFFAOYSA-N 1 0 402.498 3.555 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489792619 999839215 /nfs/dbraw/zinc/83/92/15/999839215.db2.gz BEXSRPKLVARURF-UHFFFAOYSA-N 1 0 407.558 3.584 20 30 HHEDRO Cn1cc(C[NH2+]Cc2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1C#N ZINC000480643034 999849306 /nfs/dbraw/zinc/84/93/06/999849306.db2.gz KWYWPVIEKVCGFG-UHFFFAOYSA-N 1 0 402.498 3.984 20 30 HHEDRO C=C(C)[C@H]([NH2+][C@H](C)CC(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000480702465 999863497 /nfs/dbraw/zinc/86/34/97/999863497.db2.gz WLBNDTNAYYCLRG-VFNWGFHPSA-N 1 0 408.489 3.752 20 30 HHEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000490031706 999881415 /nfs/dbraw/zinc/88/14/15/999881415.db2.gz ORQLPKUJXSOBAO-QHCPKHFHSA-N 1 0 417.557 3.687 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000490374562 999947184 /nfs/dbraw/zinc/94/71/84/999947184.db2.gz SVMUGGIPIZQTEF-GHTZIAJQSA-N 1 0 406.530 3.635 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490379291 999948251 /nfs/dbraw/zinc/94/82/51/999948251.db2.gz IVERYDKWGFWNDC-UHFFFAOYSA-N 1 0 418.950 3.582 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000490397446 999950956 /nfs/dbraw/zinc/95/09/56/999950956.db2.gz GMQGCKJBEZKXPZ-QGZVFWFLSA-N 1 0 405.468 3.665 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+]2CCCC2)cc1 ZINC000490569840 999978875 /nfs/dbraw/zinc/97/88/75/999978875.db2.gz PTKBTVHZYVUZGB-JOCHJYFZSA-N 1 0 418.541 3.688 20 30 HHEDRO C=CCN1CCC([NH2+][C@H](c2ccc(CC)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491043199 1000038674 /nfs/dbraw/zinc/03/86/74/1000038674.db2.gz ZUVYTKQSNUKMBH-XMMPIXPASA-N 1 0 412.599 3.982 20 30 HHEDRO COc1cccc([C@@H](C)[NH+]2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491238451 1000057682 /nfs/dbraw/zinc/05/76/82/1000057682.db2.gz GZMKWWKOUXVVOI-LJQANCHMSA-N 1 0 415.541 3.846 20 30 HHEDRO CCN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 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ZINC000500447457 1003724780 /nfs/dbraw/zinc/72/47/80/1003724780.db2.gz LZXNWYPTXMSSBF-UHFFFAOYSA-N 1 0 402.970 3.845 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511823165 1003793264 /nfs/dbraw/zinc/79/32/64/1003793264.db2.gz KMFFLVADHVWTOJ-BEFAXECRSA-N 1 0 417.431 3.735 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509453980 1003875379 /nfs/dbraw/zinc/87/53/79/1003875379.db2.gz QYTDFQJNECWCHJ-OAQYLSRUSA-N 1 0 410.518 3.787 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000509464614 1003882575 /nfs/dbraw/zinc/88/25/75/1003882575.db2.gz QCUCZDSLNKUTSR-XMMPIXPASA-N 1 0 404.558 3.941 20 30 HHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000512211566 1004112862 /nfs/dbraw/zinc/11/28/62/1004112862.db2.gz IERCCYXYPNUCOJ-OAHLLOKOSA-N 1 0 400.302 3.897 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C#N ZINC000512231361 1004131553 /nfs/dbraw/zinc/13/15/53/1004131553.db2.gz YJVJXTGNWRXGEL-LAUBAEHRSA-N 1 0 411.594 3.979 20 30 HHEDRO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000512272718 1004174562 /nfs/dbraw/zinc/17/45/62/1004174562.db2.gz UKVFQJXHOVJYAG-MRXNPFEDSA-N 1 0 402.608 3.879 20 30 HHEDRO CCCC[N@H+](C)CC1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000512328093 1004220665 /nfs/dbraw/zinc/22/06/65/1004220665.db2.gz KPBUROIBAQHTCK-UHFFFAOYSA-N 1 0 414.569 3.884 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512399833 1004271132 /nfs/dbraw/zinc/27/11/32/1004271132.db2.gz BDZALPUIPBYKSM-HIFRSBDPSA-N 1 0 415.481 3.508 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1C#N ZINC000512428372 1004294765 /nfs/dbraw/zinc/29/47/65/1004294765.db2.gz SRGTULWRKWELLZ-APWZRJJASA-N 1 0 412.534 3.572 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)CCc2ccncc2)c1C#N ZINC000512455676 1004315713 /nfs/dbraw/zinc/31/57/13/1004315713.db2.gz ICCDNAKZUPJMFB-UHFFFAOYSA-N 1 0 405.477 3.613 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000512494414 1004342952 /nfs/dbraw/zinc/34/29/52/1004342952.db2.gz PCYBYWFHGXRBAB-UHFFFAOYSA-N 1 0 419.916 3.873 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512511796 1004352173 /nfs/dbraw/zinc/35/21/73/1004352173.db2.gz LWRLFNIZESDBTJ-XUZZJYLKSA-N 1 0 423.605 3.621 20 30 HHEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000512531156 1004364703 /nfs/dbraw/zinc/36/47/03/1004364703.db2.gz DKXBMEIYNSRPQJ-TZIWHRDSSA-N 1 0 407.562 3.981 20 30 HHEDRO N#Cc1ccc(-n2nccc2NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000512590491 1004406357 /nfs/dbraw/zinc/40/63/57/1004406357.db2.gz OVCOQBSHYFJKIM-FQEVSTJZSA-N 1 0 421.451 3.840 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000501424781 1004412692 /nfs/dbraw/zinc/41/26/92/1004412692.db2.gz JVBAHXRJWFAYIX-VQTJNVASSA-N 1 0 420.347 3.583 20 30 HHEDRO CCOCc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC ZINC000512622471 1004436506 /nfs/dbraw/zinc/43/65/06/1004436506.db2.gz MQBJABANRKBFQA-UHFFFAOYSA-N 1 0 407.514 3.954 20 30 HHEDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000512632237 1004444820 /nfs/dbraw/zinc/44/48/20/1004444820.db2.gz YDERLJKRMVAIJQ-ZDUSSCGKSA-N 1 0 404.283 3.931 20 30 HHEDRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000510291784 1004455658 /nfs/dbraw/zinc/45/56/58/1004455658.db2.gz XUZPDAKHKLISBS-GAUHOVIDSA-N 1 0 412.644 3.609 20 30 HHEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000512661545 1004472159 /nfs/dbraw/zinc/47/21/59/1004472159.db2.gz SLGVWGGZBUZCGJ-INIZCTEOSA-N 1 0 401.507 3.510 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)cc1OC ZINC000512667244 1004477146 /nfs/dbraw/zinc/47/71/46/1004477146.db2.gz OOHYRVATAHLRAN-OAHLLOKOSA-N 1 0 411.477 3.670 20 30 HHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc1OC ZINC000512683140 1004490483 /nfs/dbraw/zinc/49/04/83/1004490483.db2.gz NCKDNIUNFQKEKM-UHFFFAOYSA-N 1 0 424.541 3.797 20 30 HHEDRO CC(C)(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1cc(F)cc(C#N)c1 ZINC000512682956 1004490707 /nfs/dbraw/zinc/49/07/07/1004490707.db2.gz KZMURFVDXOPLBA-UHFFFAOYSA-N 1 0 403.567 3.843 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1C ZINC000510418803 1004553400 /nfs/dbraw/zinc/55/34/00/1004553400.db2.gz ZOVXBKPXJBUWEV-OAQYLSRUSA-N 1 0 401.514 3.847 20 30 HHEDRO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512807091 1004570881 /nfs/dbraw/zinc/57/08/81/1004570881.db2.gz DAECZZHHIBOHSG-HXUWFJFHSA-N 1 0 416.447 3.993 20 30 HHEDRO C=CC[C@@H]1N(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1(C)C ZINC000501688118 1004604676 /nfs/dbraw/zinc/60/46/76/1004604676.db2.gz LCFVSOIGEZDMQX-NNWRFLSQSA-N 1 0 411.590 3.607 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)c(F)c1 ZINC000512846101 1004607740 /nfs/dbraw/zinc/60/77/40/1004607740.db2.gz XPTVJVXQSSAPIQ-MRXNPFEDSA-N 1 0 404.869 3.634 20 30 HHEDRO C[C@H]1CN(C2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)CCO1 ZINC000510507843 1004628921 /nfs/dbraw/zinc/62/89/21/1004628921.db2.gz LPWDXOFCHMGABI-FQEVSTJZSA-N 1 0 405.542 3.822 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510527337 1004657660 /nfs/dbraw/zinc/65/76/60/1004657660.db2.gz WZWJKQDRRUZROO-MHECFPHRSA-N 1 0 409.530 3.842 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+](C)C)cc1 ZINC000512912068 1004681992 /nfs/dbraw/zinc/68/19/92/1004681992.db2.gz NADVQDDQGHHZOC-QFIPXVFZSA-N 1 0 406.530 3.937 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000510551886 1004688557 /nfs/dbraw/zinc/68/85/57/1004688557.db2.gz JXZGTEWVPRCHSK-UHFFFAOYSA-N 1 0 406.530 3.884 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1ccccc1SCC#N ZINC000501810877 1004751207 /nfs/dbraw/zinc/75/12/07/1004751207.db2.gz CZXYJUMPYCVJQJ-RBUKOAKNSA-N 1 0 408.571 3.836 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1ccccc1SCC#N ZINC000501810876 1004751369 /nfs/dbraw/zinc/75/13/69/1004751369.db2.gz CZXYJUMPYCVJQJ-OALUTQOASA-N 1 0 408.571 3.836 20 30 HHEDRO C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000513097257 1004803850 /nfs/dbraw/zinc/80/38/50/1004803850.db2.gz SAESAKYQQYUDDJ-JKSUJKDBSA-N 1 0 410.497 3.658 20 30 HHEDRO C=CCOc1cccc(NC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000510731107 1004821939 /nfs/dbraw/zinc/82/19/39/1004821939.db2.gz FQZHLMUSZYZYOZ-QHCPKHFHSA-N 1 0 408.546 3.752 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C#N ZINC000513161382 1004838502 /nfs/dbraw/zinc/83/85/02/1004838502.db2.gz SRJZWLCDUYFCOA-WCRBZPEASA-N 1 0 423.536 3.600 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000513210859 1004862695 /nfs/dbraw/zinc/86/26/95/1004862695.db2.gz SLHFOBCWPGJBKX-FQEVSTJZSA-N 1 0 403.404 3.507 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502151257 1004925546 /nfs/dbraw/zinc/92/55/46/1004925546.db2.gz ASGJZEVORYNJRR-KRWDZBQOSA-N 1 0 422.504 3.567 20 30 HHEDRO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502153000 1004925915 /nfs/dbraw/zinc/92/59/15/1004925915.db2.gz DRQWRGVOBGJZRQ-DLBZAZTESA-N 1 0 422.504 3.614 20 30 HHEDRO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502162788 1004931950 /nfs/dbraw/zinc/93/19/50/1004931950.db2.gz AJHJIPYETUNEKZ-MOPGFXCFSA-N 1 0 418.541 3.783 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000510919382 1004933005 /nfs/dbraw/zinc/93/30/05/1004933005.db2.gz RXYBKRMYQMZNCZ-UHFFFAOYSA-N 1 0 418.541 3.559 20 30 HHEDRO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177782 1004941087 /nfs/dbraw/zinc/94/10/87/1004941087.db2.gz QZZBORNLCZHIDP-ROUUACIJSA-N 1 0 416.525 3.575 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000513442805 1004968625 /nfs/dbraw/zinc/96/86/25/1004968625.db2.gz KDRVNZMMHSHTDP-GUYRNLPASA-N 1 0 406.954 3.717 20 30 HHEDRO C=CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000513454439 1004973957 /nfs/dbraw/zinc/97/39/57/1004973957.db2.gz HKBVEDBJXBRWON-IBGZPJMESA-N 1 0 418.545 3.894 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000511020822 1004983507 /nfs/dbraw/zinc/98/35/07/1004983507.db2.gz YNRBEKOWFMPCRS-NYLDSWQDSA-N 1 0 413.566 3.597 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2=O)cc1 ZINC000511052897 1004998196 /nfs/dbraw/zinc/99/81/96/1004998196.db2.gz ZQUCHNMZLLXQBN-VQTJNVASSA-N 1 0 410.315 3.699 20 30 HHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000502317082 1005008240 /nfs/dbraw/zinc/00/82/40/1005008240.db2.gz LNVDHFGLDXQCRF-LJQANCHMSA-N 1 0 407.518 3.798 20 30 HHEDRO CN(C(=O)C[NH2+]C(C)(C)COc1ncccc1C(F)(F)F)C1(C#N)CCCCC1 ZINC000502336874 1005019176 /nfs/dbraw/zinc/01/91/76/1005019176.db2.gz JGJOTGNNUMCXPY-UHFFFAOYSA-N 1 0 412.456 3.532 20 30 HHEDRO Cn1nccc1[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000511119681 1005027966 /nfs/dbraw/zinc/02/79/66/1005027966.db2.gz IXPOHLYOVFIPMF-MRXNPFEDSA-N 1 0 411.575 3.830 20 30 HHEDRO COc1cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000511166198 1005054428 /nfs/dbraw/zinc/05/44/28/1005054428.db2.gz BCNUONFTAGIWHQ-UHFFFAOYSA-N 1 0 421.541 3.836 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000511246748 1005089329 /nfs/dbraw/zinc/08/93/29/1005089329.db2.gz DXHLZAUNVKIHNF-XLIONFOSSA-N 1 0 415.578 3.885 20 30 HHEDRO Cc1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000513705154 1005089793 /nfs/dbraw/zinc/08/97/93/1005089793.db2.gz OBSXWNMBOFTTOG-UTKZUKDTSA-N 1 0 406.534 3.795 20 30 HHEDRO COc1cc(C[NH+]2CCC(CCC(N)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000502534621 1005107089 /nfs/dbraw/zinc/10/70/89/1005107089.db2.gz PUKNWCKFMBYKSB-UHFFFAOYSA-N 1 0 407.514 3.623 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000513751111 1005109076 /nfs/dbraw/zinc/10/90/76/1005109076.db2.gz WYRQKDMAKLIOKG-UHFFFAOYSA-N 1 0 416.481 3.763 20 30 HHEDRO COc1ccc2cccc(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000513853356 1005159229 /nfs/dbraw/zinc/15/92/29/1005159229.db2.gz WZSIGYQOMNDDCJ-UHFFFAOYSA-N 1 0 401.510 3.853 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC000511507077 1005204630 /nfs/dbraw/zinc/20/46/30/1005204630.db2.gz QUXFEJKRPITHQF-RTWAWAEBSA-N 1 0 403.486 3.559 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000511507072 1005204836 /nfs/dbraw/zinc/20/48/36/1005204836.db2.gz QUXFEJKRPITHQF-LEWJYISDSA-N 1 0 403.486 3.559 20 30 HHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000514037323 1005237732 /nfs/dbraw/zinc/23/77/32/1005237732.db2.gz CRCVMMLSNHHXFT-OAQYLSRUSA-N 1 0 406.505 3.893 20 30 HHEDRO Cc1cccc(N2CCN(CCC[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000514082879 1005257520 /nfs/dbraw/zinc/25/75/20/1005257520.db2.gz IYXCPSLTLDUAEG-UHFFFAOYSA-N 1 0 417.601 3.637 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c(OC)c1 ZINC000502899652 1005265672 /nfs/dbraw/zinc/26/56/72/1005265672.db2.gz RVKLEEHMXZJLHE-UHFFFAOYSA-N 1 0 423.557 3.972 20 30 HHEDRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)nn1-c1cccc(C#N)c1 ZINC000502950745 1005289400 /nfs/dbraw/zinc/28/94/00/1005289400.db2.gz QZYQAJJIIXXINR-UHFFFAOYSA-N 1 0 401.514 3.823 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3c(F)cccc3C#N)c(C(F)(F)F)c2)CC1 ZINC000511739707 1005301205 /nfs/dbraw/zinc/30/12/05/1005301205.db2.gz HHHDITCUIFXVDF-UHFFFAOYSA-N 1 0 420.410 3.649 20 30 HHEDRO Cc1cc(C(=O)Nc2ccccc2CN2CCSCC2)nn1-c1cccc(C#N)c1 ZINC000502993086 1005307276 /nfs/dbraw/zinc/30/72/76/1005307276.db2.gz ABZXFMWFOZRMGN-UHFFFAOYSA-N 1 0 417.538 3.854 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(OC)c1 ZINC000514320690 1005337094 /nfs/dbraw/zinc/33/70/94/1005337094.db2.gz SFNPIJZLQCZNCP-RBBKRZOGSA-N 1 0 424.541 3.514 20 30 HHEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1n1ccnc1 ZINC000503072835 1005338211 /nfs/dbraw/zinc/33/82/11/1005338211.db2.gz DITJZHSXBNYHOS-LPHOPBHVSA-N 1 0 411.575 3.997 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000503230978 1005373022 /nfs/dbraw/zinc/37/30/22/1005373022.db2.gz DWKGPPQRYQLUJW-UHFFFAOYSA-N 1 0 411.937 3.854 20 30 HHEDRO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503396462 1005407401 /nfs/dbraw/zinc/40/74/01/1005407401.db2.gz MAVXHUMGYQSONZ-HSZRJFAPSA-N 1 0 413.525 3.789 20 30 HHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503432438 1005418662 /nfs/dbraw/zinc/41/86/62/1005418662.db2.gz JSFCRPKRPKOVLN-APWZRJJASA-N 1 0 401.919 3.517 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000514453416 1005997530 /nfs/dbraw/zinc/99/75/30/1005997530.db2.gz NLSODPYTHQIBKI-UHFFFAOYSA-N 1 0 412.559 3.690 20 30 HHEDRO N#Cc1cccc(CC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000531146952 1006017680 /nfs/dbraw/zinc/01/76/80/1006017680.db2.gz WKYRKDMAOKIQFR-UHFFFAOYSA-N 1 0 424.548 3.739 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)cc1 ZINC000531287408 1006095986 /nfs/dbraw/zinc/09/59/86/1006095986.db2.gz BTEYIFYFALRFEG-VWLOTQADSA-N 1 0 413.477 3.926 20 30 HHEDRO Cc1nc(-c2ccc(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)s2)cs1 ZINC000514768308 1006119956 /nfs/dbraw/zinc/11/99/56/1006119956.db2.gz OHNBEVVGOKRPAA-UHFFFAOYSA-N 1 0 403.554 3.615 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC[N@@H+]1C ZINC000514805876 1006136714 /nfs/dbraw/zinc/13/67/14/1006136714.db2.gz LANHVHDNUXQMDV-VQIMIIECSA-N 1 0 402.970 3.759 20 30 HHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000514945907 1006212923 /nfs/dbraw/zinc/21/29/23/1006212923.db2.gz SIZSQCYMWLPPRH-UHFFFAOYSA-N 1 0 401.869 3.671 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000534233938 1006234859 /nfs/dbraw/zinc/23/48/59/1006234859.db2.gz LCOKGXGOFCZLCN-INIZCTEOSA-N 1 0 413.547 3.595 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534240297 1006246416 /nfs/dbraw/zinc/24/64/16/1006246416.db2.gz KOGMQOOMLOBNIR-YLJYHZDGSA-N 1 0 400.885 3.843 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000531571266 1006278274 /nfs/dbraw/zinc/27/82/74/1006278274.db2.gz IEELZIBNWOWSSF-UHFFFAOYSA-N 1 0 424.520 3.918 20 30 HHEDRO C=C(C)[C@@H](CC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)OCC ZINC000534420009 1006394560 /nfs/dbraw/zinc/39/45/60/1006394560.db2.gz BDBHNFBQNJHLND-OAQYLSRUSA-N 1 0 403.567 3.501 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCc2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 ZINC000531818057 1006449011 /nfs/dbraw/zinc/44/90/11/1006449011.db2.gz JUJZMORWTKABCL-UHFFFAOYSA-N 1 0 402.498 3.957 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2ccccc2SCC#N)C[C@@H](C)O1 ZINC000515664789 1006580120 /nfs/dbraw/zinc/58/01/20/1006580120.db2.gz IDHKQGNMCAIJGC-QZTJIDSGSA-N 1 0 424.570 3.962 20 30 HHEDRO CC1CC(C#N)(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000532068123 1006613642 /nfs/dbraw/zinc/61/36/42/1006613642.db2.gz VSJUVSLNVCBUHX-UHFFFAOYSA-N 1 0 422.495 3.664 20 30 HHEDRO CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N(CCC#N)CCC[NH+](C)C)OCC3 ZINC000534639686 1006618750 /nfs/dbraw/zinc/61/87/50/1006618750.db2.gz JEZHHWZHWSFYOT-VWLOTQADSA-N 1 0 424.589 3.992 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNS(=O)(=O)Cc3cccc(C#N)c3)cc2)C1 ZINC000515757411 1006646918 /nfs/dbraw/zinc/64/69/18/1006646918.db2.gz FTJXDLJHFHOFQO-OALUTQOASA-N 1 0 411.571 3.656 20 30 HHEDRO CCC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538388855 1006658066 /nfs/dbraw/zinc/65/80/66/1006658066.db2.gz HYIMZUQWPVDNHW-PKTZIBPZSA-N 1 0 408.521 3.666 20 30 HHEDRO C=C[C@@H](CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)c1ccccc1 ZINC000534682552 1006661188 /nfs/dbraw/zinc/66/11/88/1006661188.db2.gz YRPSHTIDGCXOKQ-NRFANRHFSA-N 1 0 407.558 3.636 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(Cn4ccccc4=O)cc3)CC2)cc1 ZINC000538393186 1006662834 /nfs/dbraw/zinc/66/28/34/1006662834.db2.gz IGPHNNCOZNAAFL-UHFFFAOYSA-N 1 0 412.537 3.522 20 30 HHEDRO CC1CCN(c2ccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cn2)CC1 ZINC000538397630 1006666181 /nfs/dbraw/zinc/66/61/81/1006666181.db2.gz OVONBKQPNYGBLL-UHFFFAOYSA-N 1 0 403.574 3.944 20 30 HHEDRO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)c1cccc(C#N)c1)CC2 ZINC000538406829 1006674530 /nfs/dbraw/zinc/67/45/30/1006674530.db2.gz VLIWYGHKNRYAMC-KRWDZBQOSA-N 1 0 407.514 3.591 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N(Cc2cccc3ccccc32)C2CCCC2)CC1 ZINC000515817470 1006696288 /nfs/dbraw/zinc/69/62/88/1006696288.db2.gz UTZUIUKYJSPZAK-UHFFFAOYSA-N 1 0 419.569 3.878 20 30 HHEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000532227800 1006735087 /nfs/dbraw/zinc/73/50/87/1006735087.db2.gz XRUXONIQUSTUSQ-AEFFLSMTSA-N 1 0 410.493 3.682 20 30 HHEDRO C=C[C@@H](CC(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1)c1ccccc1 ZINC000534767081 1006765749 /nfs/dbraw/zinc/76/57/49/1006765749.db2.gz ZAHBXCCHJIWLIR-NRFANRHFSA-N 1 0 413.606 3.820 20 30 HHEDRO COc1cccc(N2CC[C@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000538500261 1006768546 /nfs/dbraw/zinc/76/85/46/1006768546.db2.gz SNAOMUGAAMTHPO-NRFANRHFSA-N 1 0 401.514 3.841 20 30 HHEDRO CCCOc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000532296195 1006778736 /nfs/dbraw/zinc/77/87/36/1006778736.db2.gz WRBDFTBPVXLREO-UHFFFAOYSA-N 1 0 408.546 3.929 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)[NH+]1CCCC1 ZINC000515970457 1006799107 /nfs/dbraw/zinc/79/91/07/1006799107.db2.gz UCQAVYACZAFKOQ-ZJSXRUAMSA-N 1 0 421.541 3.924 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)c1C#N ZINC000534796329 1006799829 /nfs/dbraw/zinc/79/98/29/1006799829.db2.gz CYXKBZUYLCEJST-UHFFFAOYSA-N 1 0 423.904 3.918 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000532429443 1006872950 /nfs/dbraw/zinc/87/29/50/1006872950.db2.gz WLSLBMUQTGCSKB-LOSJGSFVSA-N 1 0 405.542 3.870 20 30 HHEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000516169438 1006926707 /nfs/dbraw/zinc/92/67/07/1006926707.db2.gz YNMNINAAJDFECY-KGLIPLIRSA-N 1 0 419.934 3.683 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC(CC[NH+](C)C)CC2)c1C#N ZINC000532487076 1006927694 /nfs/dbraw/zinc/92/76/94/1006927694.db2.gz RGBPZESEIAVGAZ-UHFFFAOYSA-N 1 0 407.562 3.568 20 30 HHEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)c1 ZINC000538662783 1006938690 /nfs/dbraw/zinc/93/86/90/1006938690.db2.gz QBGFTCRDQKQZEL-LJQANCHMSA-N 1 0 411.469 3.773 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000532499342 1006940294 /nfs/dbraw/zinc/94/02/94/1006940294.db2.gz DLZNGAKVQNOBLQ-UHFFFAOYSA-N 1 0 415.541 3.561 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000538664989 1006946520 /nfs/dbraw/zinc/94/65/20/1006946520.db2.gz CVKKZIDMRUGNAD-IBGZPJMESA-N 1 0 406.534 3.932 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2C[C@H](C)S[C@@H](C)C2)c1C#N ZINC000532581452 1007016320 /nfs/dbraw/zinc/01/63/20/1007016320.db2.gz VSQURJWINBCVBA-GJZGRUSLSA-N 1 0 400.548 3.772 20 30 HHEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000532652125 1007070031 /nfs/dbraw/zinc/07/00/31/1007070031.db2.gz QBVLWMLXENZSTA-UHFFFAOYSA-N 1 0 420.332 3.616 20 30 HHEDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000532743380 1007153338 /nfs/dbraw/zinc/15/33/38/1007153338.db2.gz NXQAIYUMUXOYGZ-UHFFFAOYSA-N 1 0 414.509 3.910 20 30 HHEDRO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC000538956201 1007244291 /nfs/dbraw/zinc/24/42/91/1007244291.db2.gz OWRZUEGGVSDGGP-ICSRJNTNSA-N 1 0 401.551 3.847 20 30 HHEDRO COC(=O)c1cccc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1C#N ZINC000535204640 1007253362 /nfs/dbraw/zinc/25/33/62/1007253362.db2.gz DMJJFPIZWTWUJN-UHFFFAOYSA-N 1 0 406.461 3.939 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000532907922 1007283009 /nfs/dbraw/zinc/28/30/09/1007283009.db2.gz GZFYDHHHRVGKCZ-VQTJNVASSA-N 1 0 404.514 3.672 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(C#N)cc1 ZINC000516982908 1007356002 /nfs/dbraw/zinc/35/60/02/1007356002.db2.gz VKSZDAMQRPMVSX-LLVKDONJSA-N 1 0 403.236 3.518 20 30 HHEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](CC#Cc2cccc(Cl)c2)C(C)C)cc1 ZINC000533003198 1007370712 /nfs/dbraw/zinc/37/07/12/1007370712.db2.gz GVLIRAJIPCDENO-JOCHJYFZSA-N 1 0 414.933 3.800 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000535339387 1007391145 /nfs/dbraw/zinc/39/11/45/1007391145.db2.gz FCJZTLCBWAHGHW-UHFFFAOYSA-N 1 0 400.320 3.719 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000533053861 1007418323 /nfs/dbraw/zinc/41/83/23/1007418323.db2.gz KZXPEPXTPKPRBX-OPYAIIAOSA-N 1 0 421.507 3.510 20 30 HHEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000533063838 1007425560 /nfs/dbraw/zinc/42/55/60/1007425560.db2.gz RRPWJYKSGDFLQF-SFHVURJKSA-N 1 0 403.320 3.671 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)c1 ZINC000517132927 1007447925 /nfs/dbraw/zinc/44/79/25/1007447925.db2.gz CPRKEHKDKQJADX-BWKNWUBXSA-N 1 0 406.526 3.857 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000535439807 1007501430 /nfs/dbraw/zinc/50/14/30/1007501430.db2.gz DFWRZMHBGKHQPD-UHFFFAOYSA-N 1 0 407.514 3.578 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000533173528 1007516404 /nfs/dbraw/zinc/51/64/04/1007516404.db2.gz FCCITIPGFMCTDB-WOJBJXKFSA-N 1 0 408.949 3.564 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000539227462 1007520441 /nfs/dbraw/zinc/52/04/41/1007520441.db2.gz PNHRZVLQKOOXJV-LBPRGKRZSA-N 1 0 403.866 3.527 20 30 HHEDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc(COc4ccccc4C#N)o3)n1)OC2 ZINC000517262171 1007525380 /nfs/dbraw/zinc/52/53/80/1007525380.db2.gz BOEWYAUUCFXOFR-DENIHFKCSA-N 1 0 406.442 3.706 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000533288398 1007599863 /nfs/dbraw/zinc/59/98/63/1007599863.db2.gz GAAQBKYSSNGATA-IRXDYDNUSA-N 1 0 400.592 3.633 20 30 HHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CCC(O)CC2)c1 ZINC000533298782 1007615071 /nfs/dbraw/zinc/61/50/71/1007615071.db2.gz IDGLGIGKJASRFU-UHFFFAOYSA-N 1 0 407.514 3.701 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1 ZINC000539330971 1007631140 /nfs/dbraw/zinc/63/11/40/1007631140.db2.gz STOKVDGAVHHNAA-WOJBJXKFSA-N 1 0 416.529 3.870 20 30 HHEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539363559 1007666562 /nfs/dbraw/zinc/66/65/62/1007666562.db2.gz OEMDVCDHHCHPGW-LEWJYISDSA-N 1 0 408.571 3.603 20 30 HHEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000539365386 1007668476 /nfs/dbraw/zinc/66/84/76/1007668476.db2.gz RMKBIXPHVRVLLE-VWPQPMDRSA-N 1 0 422.598 3.643 20 30 HHEDRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000539365317 1007668588 /nfs/dbraw/zinc/66/85/88/1007668588.db2.gz PICYDQLTPUGOEB-XXBNENTESA-N 1 0 408.521 3.536 20 30 HHEDRO COC(=O)c1cc2cc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc2o1 ZINC000533360617 1007668957 /nfs/dbraw/zinc/66/89/57/1007668957.db2.gz JQVPVOADUMUQMD-UHFFFAOYSA-N 1 0 417.465 3.942 20 30 HHEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc([S@](C)=O)cc1 ZINC000539370966 1007674585 /nfs/dbraw/zinc/67/45/85/1007674585.db2.gz XORVILAEUFPJDS-POXGOYDTSA-N 1 0 415.584 3.915 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000517468077 1007693202 /nfs/dbraw/zinc/69/32/02/1007693202.db2.gz HWHATFWUIOIIKX-IAGOWNOFSA-N 1 0 416.591 3.504 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000517504622 1007725662 /nfs/dbraw/zinc/72/56/62/1007725662.db2.gz QFDIENOBCRZLKS-UHFFFAOYSA-N 1 0 400.523 3.502 20 30 HHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533423717 1007731533 /nfs/dbraw/zinc/73/15/33/1007731533.db2.gz PMSHHSZRZRUTTD-UHFFFAOYSA-N 1 0 408.458 3.647 20 30 HHEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000539454657 1007766034 /nfs/dbraw/zinc/76/60/34/1007766034.db2.gz NLBXJBCCXJFSSJ-CTNGQTDRSA-N 1 0 410.587 3.767 20 30 HHEDRO Clc1cccc(C#CCN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000533463663 1007773987 /nfs/dbraw/zinc/77/39/87/1007773987.db2.gz ZZWXMBREAXFAIR-JOCHJYFZSA-N 1 0 408.977 3.621 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1Cl ZINC000533478503 1007784636 /nfs/dbraw/zinc/78/46/36/1007784636.db2.gz FUJCNQFVCCXCBX-UHFFFAOYSA-N 1 0 405.889 3.784 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000533501257 1007811463 /nfs/dbraw/zinc/81/14/63/1007811463.db2.gz ZRPMBOLTBDPBLO-JOCHJYFZSA-N 1 0 412.505 3.645 20 30 HHEDRO C=C(C)COc1cc(C[N@H+]2CCCN(c3nccc(OCC)n3)CC2)ccc1OC ZINC000535851424 1007864878 /nfs/dbraw/zinc/86/48/78/1007864878.db2.gz YWNMSGSNBCRRGE-UHFFFAOYSA-N 1 0 412.534 3.551 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(C3(C#N)CC3)cc1)c1ccccc1O2 ZINC000539682896 1008002241 /nfs/dbraw/zinc/00/22/41/1008002241.db2.gz CINYFYSEVZOGCL-OAQYLSRUSA-N 1 0 401.510 3.960 20 30 HHEDRO Cc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000539683398 1008002714 /nfs/dbraw/zinc/00/27/14/1008002714.db2.gz QBQIFZFPYVJLBO-UHFFFAOYSA-N 1 0 408.333 3.795 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000517853661 1008014537 /nfs/dbraw/zinc/01/45/37/1008014537.db2.gz QIBWECFDICRJAP-IBGZPJMESA-N 1 0 421.541 3.881 20 30 HHEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)nn1CCC#N ZINC000539718629 1008037536 /nfs/dbraw/zinc/03/75/36/1008037536.db2.gz ZTTNGNSTIXKXOB-UHFFFAOYSA-N 1 0 422.455 3.720 20 30 HHEDRO C=CCCOCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000536035256 1008069106 /nfs/dbraw/zinc/06/91/06/1008069106.db2.gz LGZSTQQGXWKWTA-IEBWSBKVSA-N 1 0 413.484 3.980 20 30 HHEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)CC2)cc1 ZINC000539923703 1008186466 /nfs/dbraw/zinc/18/64/66/1008186466.db2.gz FWNVPRXHNBXAFZ-UHFFFAOYSA-N 1 0 401.510 3.753 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539986667 1008221689 /nfs/dbraw/zinc/22/16/89/1008221689.db2.gz KICQHDQWILICLW-UHFFFAOYSA-N 1 0 422.577 3.506 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540057553 1008263934 /nfs/dbraw/zinc/26/39/34/1008263934.db2.gz QGZAPTQXWNACFW-MRXNPFEDSA-N 1 0 407.392 3.513 20 30 HHEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc(Cl)cc1 ZINC000518469783 1008319788 /nfs/dbraw/zinc/31/97/88/1008319788.db2.gz LENFWUBQSYSVHJ-NRFANRHFSA-N 1 0 408.937 3.905 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000518500871 1008329475 /nfs/dbraw/zinc/32/94/75/1008329475.db2.gz BGZROMXRFXONDB-UHFFFAOYSA-N 1 0 408.333 3.517 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)CC1 ZINC000518582100 1008354584 /nfs/dbraw/zinc/35/45/84/1008354584.db2.gz ZLEIUXMBWSNAGO-UHFFFAOYSA-N 1 0 400.454 3.751 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000518673932 1008387216 /nfs/dbraw/zinc/38/72/16/1008387216.db2.gz NRQMZWVYXDTXCW-HXUWFJFHSA-N 1 0 422.554 3.584 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)ccc1OCc1ccncc1 ZINC000540350279 1008392764 /nfs/dbraw/zinc/39/27/64/1008392764.db2.gz FSGNYCOAVVOVQE-KRWDZBQOSA-N 1 0 416.481 3.830 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OCc1ccncc1 ZINC000540352899 1008394881 /nfs/dbraw/zinc/39/48/81/1008394881.db2.gz SJIZKKBXUNHCOM-LLJLJFOGSA-N 1 0 424.545 3.763 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1OCc1ccccc1Br ZINC000540359603 1008398806 /nfs/dbraw/zinc/39/88/06/1008398806.db2.gz SSUVBSQNPHPTBN-GOSISDBHSA-N 1 0 416.319 3.709 20 30 HHEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000540413862 1008422774 /nfs/dbraw/zinc/42/27/74/1008422774.db2.gz ISUPBMRQPPNKIP-VDZJLULYSA-N 1 0 413.484 3.572 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540477122 1008447375 /nfs/dbraw/zinc/44/73/75/1008447375.db2.gz YWAGGLQEGQXLFK-QGZVFWFLSA-N 1 0 410.474 3.899 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 ZINC000542959388 1008532159 /nfs/dbraw/zinc/53/21/59/1008532159.db2.gz RKGXAUJMEZTAAG-UHFFFAOYSA-N 1 0 406.465 3.656 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(Nc3cccc(C(=O)OC)c3)CC2)cc(OC)c1O ZINC000519230905 1008637273 /nfs/dbraw/zinc/63/72/73/1008637273.db2.gz VHWFLBSEPXJVPG-UHFFFAOYSA-N 1 0 410.514 3.992 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)CC1 ZINC000519270393 1008679667 /nfs/dbraw/zinc/67/96/67/1008679667.db2.gz KWELEOQIHOXNQJ-UHFFFAOYSA-N 1 0 404.967 3.693 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 ZINC000519271079 1008679745 /nfs/dbraw/zinc/67/97/45/1008679745.db2.gz OQZWVQLYVVWCFF-UHFFFAOYSA-N 1 0 407.493 3.572 20 30 HHEDRO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000549165301 1008736340 /nfs/dbraw/zinc/73/63/40/1008736340.db2.gz KGEYBDAOYLEFKP-AUSIDOKSSA-N 1 0 422.960 3.685 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000549165895 1008737833 /nfs/dbraw/zinc/73/78/33/1008737833.db2.gz PQKIELWHSUXPHG-LOSJGSFVSA-N 1 0 410.521 3.755 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549248407 1008818945 /nfs/dbraw/zinc/81/89/45/1008818945.db2.gz QAUAIVZYTBUYOP-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000519476804 1008851754 /nfs/dbraw/zinc/85/17/54/1008851754.db2.gz AKDJKJCZGLULKQ-UHFFFAOYSA-N 1 0 413.485 3.583 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000549291499 1008864206 /nfs/dbraw/zinc/86/42/06/1008864206.db2.gz GIMCSUALABHAFJ-UHFFFAOYSA-N 1 0 401.942 3.715 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000549301878 1008876840 /nfs/dbraw/zinc/87/68/40/1008876840.db2.gz ORHVABNWHVETQM-UHFFFAOYSA-N 1 0 423.483 3.612 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC1 ZINC000549311639 1008888439 /nfs/dbraw/zinc/88/84/39/1008888439.db2.gz PWXIGZVPPYXMIH-UHFFFAOYSA-N 1 0 418.950 3.559 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[NH+]2CCCC2)c1 ZINC000549404455 1008992222 /nfs/dbraw/zinc/99/22/22/1008992222.db2.gz REFYWPIQYKXBML-GOSISDBHSA-N 1 0 418.419 3.548 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000549408619 1008996654 /nfs/dbraw/zinc/99/66/54/1008996654.db2.gz PRPMTGQIMIWNJG-GAJHUEQPSA-N 1 0 407.489 3.903 20 30 HHEDRO C[C@](O)(C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1)C(F)(F)F ZINC000545951794 1009015061 /nfs/dbraw/zinc/01/50/61/1009015061.db2.gz IJHPODWBFCNMDB-FQEVSTJZSA-N 1 0 406.452 3.989 20 30 HHEDRO CC[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000546102462 1009125351 /nfs/dbraw/zinc/12/53/51/1009125351.db2.gz ZPVVSPKAJQMOTG-HXUWFJFHSA-N 1 0 408.571 3.837 20 30 HHEDRO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC[N@@H+]1C ZINC000549528970 1009139324 /nfs/dbraw/zinc/13/93/24/1009139324.db2.gz HXASDFUBOGNXIM-JOCHJYFZSA-N 1 0 400.530 3.641 20 30 HHEDRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)CC[N@@H+]1C ZINC000549528971 1009139738 /nfs/dbraw/zinc/13/97/38/1009139738.db2.gz HXASDFUBOGNXIM-QFIPXVFZSA-N 1 0 400.530 3.641 20 30 HHEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCCC1 ZINC000546144326 1009174208 /nfs/dbraw/zinc/17/42/08/1009174208.db2.gz AGSTUUJUDUMSCK-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000549654350 1009282086 /nfs/dbraw/zinc/28/20/86/1009282086.db2.gz ONPXLOVJIFDNPI-FQEVSTJZSA-N 1 0 423.605 3.977 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549654362 1009282112 /nfs/dbraw/zinc/28/21/12/1009282112.db2.gz OWMUHPROINBCAC-JOCHJYFZSA-N 1 0 423.561 3.679 20 30 HHEDRO C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549655581 1009283507 /nfs/dbraw/zinc/28/35/07/1009283507.db2.gz XRERWBOLSVZFIO-JOCHJYFZSA-N 1 0 420.605 3.872 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549706427 1009336215 /nfs/dbraw/zinc/33/62/15/1009336215.db2.gz SQXDHCMOHJMUTM-UHFFFAOYSA-N 1 0 413.566 3.847 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000520197992 1009336923 /nfs/dbraw/zinc/33/69/23/1009336923.db2.gz WSQVWTSBOBIOAW-QGZVFWFLSA-N 1 0 424.574 3.549 20 30 HHEDRO C[C@H]1CN(Cc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000549822886 1009433899 /nfs/dbraw/zinc/43/38/99/1009433899.db2.gz YPAKBUHYUIIXAI-KBPBESRZSA-N 1 0 418.419 3.834 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H]1C ZINC000543886793 1009462842 /nfs/dbraw/zinc/46/28/42/1009462842.db2.gz QPKPYQNVROIZJX-ZBFHGGJFSA-N 1 0 400.914 3.734 20 30 HHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543888387 1009465978 /nfs/dbraw/zinc/46/59/78/1009465978.db2.gz LJALYZIYEVVNTG-LJQANCHMSA-N 1 0 422.920 3.692 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3coc(-c4cccs4)n3)CC2)cc1 ZINC000520439037 1009552790 /nfs/dbraw/zinc/55/27/90/1009552790.db2.gz GZHSQNFWFHXCQK-UHFFFAOYSA-N 1 0 421.526 3.692 20 30 HHEDRO N#Cc1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2Cc2cccs2)c1 ZINC000549948099 1009556830 /nfs/dbraw/zinc/55/68/30/1009556830.db2.gz ICLDNRATKNJTAS-HXUWFJFHSA-N 1 0 418.570 3.991 20 30 HHEDRO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC[N@@H+]1C ZINC000549963469 1009571082 /nfs/dbraw/zinc/57/10/82/1009571082.db2.gz NPVNPCVXMWFHQY-FQEVSTJZSA-N 1 0 406.559 3.703 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550029768 1009627148 /nfs/dbraw/zinc/62/71/48/1009627148.db2.gz WKBZMDRRFIVBFI-QRWLVFNGSA-N 1 0 409.933 3.603 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000546752884 1009720172 /nfs/dbraw/zinc/72/01/72/1009720172.db2.gz GNCJVXHENDAZDS-DHIUTWEWSA-N 1 0 424.520 3.691 20 30 HHEDRO COc1cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1OCc1cccc(C#N)c1 ZINC000550141382 1009725062 /nfs/dbraw/zinc/72/50/62/1009725062.db2.gz WFQLZCOIRAIEGM-LOSJGSFVSA-N 1 0 422.525 3.556 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000520696879 1009763853 /nfs/dbraw/zinc/76/38/53/1009763853.db2.gz UWOSAZDZEYSPMV-UHFFFAOYSA-N 1 0 421.467 3.731 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CC1 ZINC000520697656 1009765002 /nfs/dbraw/zinc/76/50/02/1009765002.db2.gz NYABQJOEGJOSPB-UHFFFAOYSA-N 1 0 406.958 3.984 20 30 HHEDRO N#Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)CC2)n1 ZINC000546918704 1009876668 /nfs/dbraw/zinc/87/66/68/1009876668.db2.gz MBANUWOQRPJYBZ-UHFFFAOYSA-N 1 0 411.509 3.771 20 30 HHEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)c1 ZINC000550409584 1009915841 /nfs/dbraw/zinc/91/58/41/1009915841.db2.gz PWPLNZBFUHCUDS-UHFFFAOYSA-N 1 0 401.869 3.671 20 30 HHEDRO Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000520895221 1009950333 /nfs/dbraw/zinc/95/03/33/1009950333.db2.gz YVPTWZVUCWMVGP-UHFFFAOYSA-N 1 0 411.513 3.547 20 30 HHEDRO CC(C)([C@@H](NC(=O)COc1ccccc1C#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000544366535 1009994771 /nfs/dbraw/zinc/99/47/71/1009994771.db2.gz VCGLZKIYQYFDOB-QFIPXVFZSA-N 1 0 413.468 3.947 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccc(C#N)cc1 ZINC000521196727 1010223425 /nfs/dbraw/zinc/22/34/25/1010223425.db2.gz WPTSRSCDHGRMFU-UHFFFAOYSA-N 1 0 419.569 3.881 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000521332023 1010311064 /nfs/dbraw/zinc/31/10/64/1010311064.db2.gz WUVRJTPTYGNWGA-MSOLQXFVSA-N 1 0 420.513 3.668 20 30 HHEDRO CN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551031192 1010327348 /nfs/dbraw/zinc/32/73/48/1010327348.db2.gz MGSBCUOQTXJKAJ-QGZVFWFLSA-N 1 0 424.570 3.589 20 30 HHEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c1 ZINC000551232172 1010454737 /nfs/dbraw/zinc/45/47/37/1010454737.db2.gz ZCXWASXTMPBOPU-DEOSSOPVSA-N 1 0 405.498 3.766 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000521600242 1010496895 /nfs/dbraw/zinc/49/68/95/1010496895.db2.gz HICVQSFOTOWNCL-QFIPXVFZSA-N 1 0 423.557 3.937 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000521778033 1010611195 /nfs/dbraw/zinc/61/11/95/1010611195.db2.gz SNWRKQXNTWNHDK-UHFFFAOYSA-N 1 0 416.447 3.995 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521807418 1010632888 /nfs/dbraw/zinc/63/28/88/1010632888.db2.gz KVXXAMJDBJSADE-KURKYZTESA-N 1 0 416.591 3.504 20 30 HHEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000521886422 1010685847 /nfs/dbraw/zinc/68/58/47/1010685847.db2.gz WOMCAZXPMGWZOO-APWZRJJASA-N 1 0 403.313 3.981 20 30 HHEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000521886425 1010685935 /nfs/dbraw/zinc/68/59/35/1010685935.db2.gz WOMCAZXPMGWZOO-QFBILLFUSA-N 1 0 403.313 3.981 20 30 HHEDRO C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC1(c2ccc(Br)cc2)CC1 ZINC000522043186 1010773996 /nfs/dbraw/zinc/77/39/96/1010773996.db2.gz CDYAHLQWCNSEGT-UHFFFAOYSA-N 1 0 404.352 3.755 20 30 HHEDRO N#CCCN(C(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1)c1ccccc1 ZINC000522069080 1010789964 /nfs/dbraw/zinc/78/99/64/1010789964.db2.gz ZRKJDFJCKWXODK-UHFFFAOYSA-N 1 0 402.542 3.708 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(Oc2ccccc2)c1 ZINC000522176411 1010848434 /nfs/dbraw/zinc/84/84/34/1010848434.db2.gz CSYMSYMDWJBBNS-UHFFFAOYSA-N 1 0 400.482 3.950 20 30 HHEDRO COc1ccc(C2(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)CCCCC2)cc1OC ZINC000522377282 1010967145 /nfs/dbraw/zinc/96/71/45/1010967145.db2.gz URSUKXGXRVKKOY-QFIPXVFZSA-N 1 0 407.514 3.594 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000522470668 1011032747 /nfs/dbraw/zinc/03/27/47/1011032747.db2.gz IEJRNLKQGWNSHI-UTKZUKDTSA-N 1 0 408.546 3.830 20 30 HHEDRO N#Cc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)s1 ZINC000540571743 1011230165 /nfs/dbraw/zinc/23/01/65/1011230165.db2.gz SERFUXHIQXHQBX-UHFFFAOYSA-N 1 0 415.515 3.527 20 30 HHEDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540575903 1011233486 /nfs/dbraw/zinc/23/34/86/1011233486.db2.gz XQAWWKZRZHGEEL-UTKZUKDTSA-N 1 0 405.926 3.607 20 30 HHEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000540591751 1011248249 /nfs/dbraw/zinc/24/82/49/1011248249.db2.gz YZNQLRWDYQENLL-NFBKMPQASA-N 1 0 408.571 3.506 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(CCc4ccccc4)CC3)CC2)cc1 ZINC000540596805 1011252752 /nfs/dbraw/zinc/25/27/52/1011252752.db2.gz IWBYJZJGFMGRMD-UHFFFAOYSA-N 1 0 402.586 3.819 20 30 HHEDRO COc1ccccc1C1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000522850326 1011289825 /nfs/dbraw/zinc/28/98/25/1011289825.db2.gz ZWGUAMLYJCPBPW-UHFFFAOYSA-N 1 0 418.541 3.516 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000540709051 1011359829 /nfs/dbraw/zinc/35/98/29/1011359829.db2.gz YJQWQPDXAUDEBE-CQSZACIVSA-N 1 0 409.552 3.683 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000540709050 1011360255 /nfs/dbraw/zinc/36/02/55/1011360255.db2.gz YJQWQPDXAUDEBE-AWEZNQCLSA-N 1 0 409.552 3.683 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H]1c1ccccc1 ZINC000536225451 1011373084 /nfs/dbraw/zinc/37/30/84/1011373084.db2.gz KYPYXXPZXUENFJ-HNYUPJOQSA-N 1 0 418.541 3.993 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H]1c1ccccc1 ZINC000536266106 1011436004 /nfs/dbraw/zinc/43/60/04/1011436004.db2.gz XIJDNOHIBRRAPB-FYYLOGMGSA-N 1 0 401.466 3.905 20 30 HHEDRO N#CC1(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CCOCC1 ZINC000522984287 1011436052 /nfs/dbraw/zinc/43/60/52/1011436052.db2.gz MTXDOENWOQXVKB-UHFFFAOYSA-N 1 0 403.526 3.886 20 30 HHEDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1CCC#N ZINC000540816051 1011477346 /nfs/dbraw/zinc/47/73/46/1011477346.db2.gz YBACBXARCBHPDO-HNAYVOBHSA-N 1 0 418.904 3.712 20 30 HHEDRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1CCC#N ZINC000540816049 1011477857 /nfs/dbraw/zinc/47/78/57/1011477857.db2.gz YBACBXARCBHPDO-BEFAXECRSA-N 1 0 418.904 3.712 20 30 HHEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCCC1 ZINC000523026514 1011492334 /nfs/dbraw/zinc/49/23/34/1011492334.db2.gz ZRMBNNPYPCWCKX-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO CCN(CC)C(=O)COc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000540974406 1011608793 /nfs/dbraw/zinc/60/87/93/1011608793.db2.gz ZWZJCPBGARLGTO-UHFFFAOYSA-N 1 0 420.557 3.882 20 30 HHEDRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541086294 1011728581 /nfs/dbraw/zinc/72/85/81/1011728581.db2.gz CWNQVBXIPCQCTA-GOSISDBHSA-N 1 0 419.525 3.678 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000523246521 1011734010 /nfs/dbraw/zinc/73/40/10/1011734010.db2.gz WRKPQJGMEHFLBU-GOSISDBHSA-N 1 0 423.536 3.742 20 30 HHEDRO C=C(C)[C@H](CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1)OCC ZINC000536594848 1011757299 /nfs/dbraw/zinc/75/72/99/1011757299.db2.gz BKKDLTFWIAPEPE-SFHVURJKSA-N 1 0 410.356 3.511 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)c(F)c1 ZINC000541168131 1011839325 /nfs/dbraw/zinc/83/93/25/1011839325.db2.gz FRUIHNRWFQCXKG-UHFFFAOYSA-N 1 0 403.461 3.734 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCOc4ccccc43)CC2)cc1 ZINC000523368188 1011847908 /nfs/dbraw/zinc/84/79/08/1011847908.db2.gz NPTSLTBJSABKIK-QFIPXVFZSA-N 1 0 404.514 3.689 20 30 HHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(Br)c1 ZINC000523378927 1011857854 /nfs/dbraw/zinc/85/78/54/1011857854.db2.gz YJBMDJDWAVHZKQ-UHFFFAOYSA-N 1 0 416.319 3.533 20 30 HHEDRO COCc1cccc(OCC2(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000552137761 1012157578 /nfs/dbraw/zinc/15/75/78/1012157578.db2.gz KVYACQBKSVQLDM-UHFFFAOYSA-N 1 0 405.542 3.681 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000552149125 1012171717 /nfs/dbraw/zinc/17/17/17/1012171717.db2.gz TXXQCGJJRIYGBC-XZOQPEGZSA-N 1 0 419.500 3.832 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000523622565 1012202714 /nfs/dbraw/zinc/20/27/14/1012202714.db2.gz NYUMXLQATQVDEW-OAHLLOKOSA-N 1 0 403.470 3.510 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000523666846 1012261413 /nfs/dbraw/zinc/26/14/13/1012261413.db2.gz BXSUKENREPQLGR-QFIPXVFZSA-N 1 0 418.541 3.747 20 30 HHEDRO C[NH+](C)C1CCN(c2ccc(NC3CCN(c4ccc(C#N)cc4)CC3)nc2)CC1 ZINC000552283849 1012296833 /nfs/dbraw/zinc/29/68/33/1012296833.db2.gz LEJGVRAFDBXLOY-UHFFFAOYSA-N 1 0 404.562 3.565 20 30 HHEDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000552321455 1012331449 /nfs/dbraw/zinc/33/14/49/1012331449.db2.gz RSBMPDKGMBEUDL-INIZCTEOSA-N 1 0 412.342 3.884 20 30 HHEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000537048624 1012370949 /nfs/dbraw/zinc/37/09/49/1012370949.db2.gz TVIPWGBKVWZSEN-SFHVURJKSA-N 1 0 411.377 3.510 20 30 HHEDRO N#Cc1cc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cnc1C(F)(F)F ZINC000552371245 1012380677 /nfs/dbraw/zinc/38/06/77/1012380677.db2.gz WKFAIYKKWCCIRJ-NRFANRHFSA-N 1 0 414.431 3.710 20 30 HHEDRO C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599718 1012394513 /nfs/dbraw/zinc/39/45/13/1012394513.db2.gz KMOWWZFJTQRJTM-OWCLPIDISA-N 1 0 400.592 3.678 20 30 HHEDRO CN(CCC#N)C(=O)CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000552431297 1012451496 /nfs/dbraw/zinc/45/14/96/1012451496.db2.gz CUBFJYIXJRXTLH-UHFFFAOYSA-N 1 0 407.543 3.795 20 30 HHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000537097557 1012460298 /nfs/dbraw/zinc/46/02/98/1012460298.db2.gz TXKZZQYPHFVDQV-IBBBCHJRSA-N 1 0 401.551 3.982 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000537109035 1012482414 /nfs/dbraw/zinc/48/24/14/1012482414.db2.gz UNRORBZRHDRFJA-MOPGFXCFSA-N 1 0 404.514 3.799 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[NH+](C)C)cc1 ZINC000552457017 1012482694 /nfs/dbraw/zinc/48/26/94/1012482694.db2.gz DPMICLKOJCQLPD-SFHVURJKSA-N 1 0 420.435 3.792 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000537136083 1012523755 /nfs/dbraw/zinc/52/37/55/1012523755.db2.gz JQDSILJGFMKVNH-HUUCEWRRSA-N 1 0 405.527 3.972 20 30 HHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)ccc2NC1=O ZINC000537157324 1012553018 /nfs/dbraw/zinc/55/30/18/1012553018.db2.gz AAHVYLXOBHEIBS-JCGVRSQUSA-N 1 0 410.474 3.555 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000537157063 1012553274 /nfs/dbraw/zinc/55/32/74/1012553274.db2.gz LXNCZSPWEJTHPB-OFNKIYASSA-N 1 0 411.590 3.781 20 30 HHEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000537162181 1012561946 /nfs/dbraw/zinc/56/19/46/1012561946.db2.gz OEFMGNJXZMBHCS-SFTDATJTSA-N 1 0 408.571 3.603 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(-c2cccs2)n1 ZINC000537162573 1012563523 /nfs/dbraw/zinc/56/35/23/1012563523.db2.gz KYSDTDUHBMUMPG-UHFFFAOYSA-N 1 0 405.527 3.871 20 30 HHEDRO C=CC[N@H+](Cc1c(C2CC2)nc2sccn12)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537180803 1012589407 /nfs/dbraw/zinc/58/94/07/1012589407.db2.gz VSBDFCFYBGIBQL-HNNXBMFYSA-N 1 0 405.531 3.998 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000537249390 1012694303 /nfs/dbraw/zinc/69/43/03/1012694303.db2.gz REICLPPKVJLLPJ-ZJSXRUAMSA-N 1 0 422.598 3.978 20 30 HHEDRO CS[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H]1[NH+]1CCCC1 ZINC000541843256 1012731554 /nfs/dbraw/zinc/73/15/54/1012731554.db2.gz CANSBKSUPGJQDK-DHIUTWEWSA-N 1 0 421.566 3.789 20 30 HHEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000552814845 1012823299 /nfs/dbraw/zinc/82/32/99/1012823299.db2.gz RFYHMORXVQUUED-LJQANCHMSA-N 1 0 424.520 3.883 20 30 HHEDRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000552845140 1012852745 /nfs/dbraw/zinc/85/27/45/1012852745.db2.gz LCLGRSXWEQNUPX-NRFANRHFSA-N 1 0 408.521 3.682 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000524086731 1012856357 /nfs/dbraw/zinc/85/63/57/1012856357.db2.gz TWJXUUUEOBTGAS-UHFFFAOYSA-N 1 0 421.541 3.882 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CCCC1)c1ccccc1 ZINC000524108929 1012884091 /nfs/dbraw/zinc/88/40/91/1012884091.db2.gz DGXWNUXHOXJSRY-MRXNPFEDSA-N 1 0 424.932 3.930 20 30 HHEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000552893865 1012896623 /nfs/dbraw/zinc/89/66/23/1012896623.db2.gz XAKLWJIRIVGWKS-GOSISDBHSA-N 1 0 421.520 3.668 20 30 HHEDRO C[N@H+](CCOc1cccc(CNc2c(F)cc(C#N)cc2F)c1)C1CCOCC1 ZINC000524124425 1012902471 /nfs/dbraw/zinc/90/24/71/1012902471.db2.gz RCYRKWBSKRKGEN-UHFFFAOYSA-N 1 0 401.457 3.938 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)nc2)CC1 ZINC000524132044 1012915813 /nfs/dbraw/zinc/91/58/13/1012915813.db2.gz ADKWYZAXXZDAAD-UHFFFAOYSA-N 1 0 412.497 3.701 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542024442 1012917499 /nfs/dbraw/zinc/91/74/99/1012917499.db2.gz QGWPFDOTCGYTAB-PZJWPPBQSA-N 1 0 424.511 3.579 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)n2)c(F)c1 ZINC000542027005 1012922681 /nfs/dbraw/zinc/92/26/81/1012922681.db2.gz QKPIXMBSNLLLCM-NRFANRHFSA-N 1 0 418.476 3.842 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000524138862 1012924589 /nfs/dbraw/zinc/92/45/89/1012924589.db2.gz IONXHZYBJJZTNU-ORFBVSJDSA-N 1 0 410.562 3.908 20 30 HHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542034163 1012932817 /nfs/dbraw/zinc/93/28/17/1012932817.db2.gz WGSHVMMERLRLOG-KRWDZBQOSA-N 1 0 400.914 3.735 20 30 HHEDRO C[N@H+](CCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)Cc1ccccc1 ZINC000542035360 1012935044 /nfs/dbraw/zinc/93/50/44/1012935044.db2.gz ZBIYBJNWBCWCPX-UHFFFAOYSA-N 1 0 406.465 3.527 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000542036290 1012936538 /nfs/dbraw/zinc/93/65/38/1012936538.db2.gz MFFWXOSPDHSUCC-GOSISDBHSA-N 1 0 424.892 3.949 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000537454211 1012947093 /nfs/dbraw/zinc/94/70/93/1012947093.db2.gz FEVXKWPOTAIMGI-QFIPXVFZSA-N 1 0 416.525 3.660 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000524156073 1012947118 /nfs/dbraw/zinc/94/71/18/1012947118.db2.gz GJTCVTVPQIGSCO-GOSISDBHSA-N 1 0 420.340 3.817 20 30 HHEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552984977 1012962470 /nfs/dbraw/zinc/96/24/70/1012962470.db2.gz QUKSYKXGBUZSKP-KRWDZBQOSA-N 1 0 402.970 3.618 20 30 HHEDRO N#CCOc1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1 ZINC000729685403 1071808149 /nfs/dbraw/zinc/80/81/49/1071808149.db2.gz RMBLIBYCNKHRKN-UHFFFAOYSA-N 1 0 420.538 3.839 20 30 HHEDRO N#CCc1ccc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)c(Cl)c1 ZINC001212038133 1071929134 /nfs/dbraw/zinc/92/91/34/1071929134.db2.gz UJFOKPAFONNRMS-UHFFFAOYSA-N 1 0 409.983 3.825 20 30 HHEDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001212065594 1071948121 /nfs/dbraw/zinc/94/81/21/1071948121.db2.gz LXXFJEOIWFFLPC-PMACEKPBSA-N 1 0 421.476 3.521 20 30 HHEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000487869622 1072106704 /nfs/dbraw/zinc/10/67/04/1072106704.db2.gz KHMXJUBTFKFRNY-SFHVURJKSA-N 1 0 400.544 3.984 20 30 HHEDRO C#CCN1CCC[C@@H]1COC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000729808925 1072125702 /nfs/dbraw/zinc/12/57/02/1072125702.db2.gz HCJSBXPSMFQFPP-GOSISDBHSA-N 1 0 416.319 3.506 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000729809710 1072126227 /nfs/dbraw/zinc/12/62/27/1072126227.db2.gz OHQBGDMZNKFONS-KRWDZBQOSA-N 1 0 404.919 3.559 20 30 HHEDRO C[NH+](C)CCOc1cccc(-c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)c1 ZINC000615131458 1072181783 /nfs/dbraw/zinc/18/17/83/1072181783.db2.gz NDSABKLOUMDPRO-OAQYLSRUSA-N 1 0 403.486 3.890 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C[C@H](O)c3cccc(Br)c3)CC2)cc1 ZINC000913116772 1072332551 /nfs/dbraw/zinc/33/25/51/1072332551.db2.gz JKBKGACVWCYVJY-NRFANRHFSA-N 1 0 414.347 3.562 20 30 HHEDRO C[NH+]1CCC(CNC(=S)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000760467571 1072373445 /nfs/dbraw/zinc/37/34/45/1072373445.db2.gz HOJCEMAFCKOLQE-UHFFFAOYSA-N 1 0 408.571 3.960 20 30 HHEDRO CC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586874869 1072499725 /nfs/dbraw/zinc/49/97/25/1072499725.db2.gz VTDYDXLMVYNKJF-RTBURBONSA-N 1 0 400.954 3.561 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC3(CCC[N@H+]3C)CC2)c1C#N ZINC000571308323 1072600648 /nfs/dbraw/zinc/60/06/48/1072600648.db2.gz GOOIAJAXDLZVSZ-UHFFFAOYSA-N 1 0 423.536 3.604 20 30 HHEDRO Cc1cc(C)c(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c1 ZINC001670860665 1072688281 /nfs/dbraw/zinc/68/82/81/1072688281.db2.gz UZNWHEGAZUTEEU-UHFFFAOYSA-N 1 0 404.558 3.990 20 30 HHEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C(=O)OCC)cc1)CC2 ZINC001142575941 1072862855 /nfs/dbraw/zinc/86/28/55/1072862855.db2.gz IPZKBCXELIQXSD-UHFFFAOYSA-N 1 0 400.519 3.864 20 30 HHEDRO COc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1OCCCC#N ZINC000554886070 1072925960 /nfs/dbraw/zinc/92/59/60/1072925960.db2.gz CAFCULWNWAOODV-DEOSSOPVSA-N 1 0 412.505 3.944 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(F)cc1 ZINC000588257574 1072970431 /nfs/dbraw/zinc/97/04/31/1072970431.db2.gz RDNRWBTXVCPFJD-HXUWFJFHSA-N 1 0 400.523 3.533 20 30 HHEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130739 1073180992 /nfs/dbraw/zinc/18/09/92/1073180992.db2.gz VEDKGSQHCLFCIO-UYAOXDASSA-N 1 0 408.949 3.745 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000555244169 1073286347 /nfs/dbraw/zinc/28/63/47/1073286347.db2.gz CNKZIFMCXZYFFT-FQEVSTJZSA-N 1 0 419.577 3.875 20 30 HHEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000588875057 1073322679 /nfs/dbraw/zinc/32/26/79/1073322679.db2.gz NBUJWCYUBPKLGI-UHFFFAOYSA-N 1 0 420.557 3.628 20 30 HHEDRO N#CCCC[C@@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1ccccc1 ZINC000590121797 1073568951 /nfs/dbraw/zinc/56/89/51/1073568951.db2.gz XQZWYAHKGGMFFW-GOSISDBHSA-N 1 0 411.303 3.982 20 30 HHEDRO C=CCc1cc(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc(OC)c1O ZINC000555505943 1073572138 /nfs/dbraw/zinc/57/21/38/1073572138.db2.gz LMIFSPSUVADXFS-UHFFFAOYSA-N 1 0 409.530 3.567 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCc4cccc(Br)c4C3)CC2)nc1 ZINC000590183788 1073628508 /nfs/dbraw/zinc/62/85/08/1073628508.db2.gz SFEUSLQRUIZUCO-GOSISDBHSA-N 1 0 411.347 3.832 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000590206140 1073651231 /nfs/dbraw/zinc/65/12/31/1073651231.db2.gz IVJBLECLDCDFPA-UHFFFAOYSA-N 1 0 417.431 3.953 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000555687926 1073726826 /nfs/dbraw/zinc/72/68/26/1073726826.db2.gz BNUVUQTUXYAIFD-WOJBJXKFSA-N 1 0 411.571 3.825 20 30 HHEDRO N#Cc1cnn(-c2ccccc2NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1N ZINC000590544718 1073887897 /nfs/dbraw/zinc/88/78/97/1073887897.db2.gz NELXIJVQPJHHPT-UHFFFAOYSA-N 1 0 400.486 3.564 20 30 HHEDRO Cc1nc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Br)cc1C#N ZINC000590587117 1073929962 /nfs/dbraw/zinc/92/99/62/1073929962.db2.gz GCBQZHMGYAMHIB-GOSISDBHSA-N 1 0 416.319 3.694 20 30 HHEDRO CC(C)C[C@@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000590615115 1073942080 /nfs/dbraw/zinc/94/20/80/1073942080.db2.gz QWYZHVWHTREIME-RUZDIDTESA-N 1 0 418.585 3.970 20 30 HHEDRO C[C@H](NC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(C#N)c1 ZINC000587690747 1074111632 /nfs/dbraw/zinc/11/16/32/1074111632.db2.gz YUMUULLITQQRBQ-OALUTQOASA-N 1 0 418.541 3.515 20 30 HHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cccc(C#Cc2cccs2)c1 ZINC000591487020 1074339857 /nfs/dbraw/zinc/33/98/57/1074339857.db2.gz ZWBZTLHQIQDCBP-UHFFFAOYSA-N 1 0 409.555 3.914 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3cn4cc(C)ccc4n3)cc2)CC1 ZINC000592069423 1074686714 /nfs/dbraw/zinc/68/67/14/1074686714.db2.gz KLCLCVICNIUSDL-UHFFFAOYSA-N 1 0 404.514 3.602 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000592069449 1074686731 /nfs/dbraw/zinc/68/67/31/1074686731.db2.gz NYLBAXZPBRWSJV-UHFFFAOYSA-N 1 0 404.514 3.602 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)CC1 ZINC000592075590 1074687808 /nfs/dbraw/zinc/68/78/08/1074687808.db2.gz PSKQHKCWIFCUSQ-UHFFFAOYSA-N 1 0 409.559 3.620 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000592302121 1074719783 /nfs/dbraw/zinc/71/97/83/1074719783.db2.gz UOEPCUZKFRCNDD-SFHVURJKSA-N 1 0 404.986 3.769 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000592476636 1074763652 /nfs/dbraw/zinc/76/36/52/1074763652.db2.gz IBGYHXQENHYRND-UHFFFAOYSA-N 1 0 415.541 3.989 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)CC1 ZINC000592526807 1074781420 /nfs/dbraw/zinc/78/14/20/1074781420.db2.gz BGFJXYYVHDDFMC-UHFFFAOYSA-N 1 0 406.530 3.664 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000574476456 1075252071 /nfs/dbraw/zinc/25/20/71/1075252071.db2.gz CAUHISBVCGJMQH-DEOSSOPVSA-N 1 0 413.521 3.650 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C(C)C ZINC000761067213 1075325832 /nfs/dbraw/zinc/32/58/32/1075325832.db2.gz ISSRPYIFFRIYOF-GOSISDBHSA-N 1 0 405.926 3.508 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000575205300 1075484094 /nfs/dbraw/zinc/48/40/94/1075484094.db2.gz RWBXQYRCTPEQPY-MJGOQNOKSA-N 1 0 400.542 3.540 20 30 HHEDRO Cc1n[nH]c(C)c1NC(=O)CN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000328604290 569417307 /nfs/dbraw/zinc/41/73/07/569417307.db2.gz JGMZEAJXTRZFIL-VGOFRKELSA-N 1 0 406.490 3.718 20 30 HHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC001164709539 720099201 /nfs/dbraw/zinc/09/92/01/720099201.db2.gz AHXKFPRZMWBIMY-JOCHJYFZSA-N 1 0 419.573 3.979 20 30 HHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c12 ZINC001164736038 720536329 /nfs/dbraw/zinc/53/63/29/720536329.db2.gz UOBORMHGVDFFON-CQSZACIVSA-N 1 0 412.900 3.602 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3ccc(C#N)cc31)CC2 ZINC001164840958 720671995 /nfs/dbraw/zinc/67/19/95/720671995.db2.gz OHJSLQDILHXFPK-OAQYLSRUSA-N 1 0 413.525 3.761 20 30 HHEDRO C=CCOc1cc(C)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843659 720691682 /nfs/dbraw/zinc/69/16/82/720691682.db2.gz PWMWYRCNXVDFGL-OAQYLSRUSA-N 1 0 408.546 3.610 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC001164842329 720711480 /nfs/dbraw/zinc/71/14/80/720711480.db2.gz YIGKOGGJSIIBPJ-QFIPXVFZSA-N 1 0 402.542 3.702 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)[C@@H]2C ZINC001164857323 721018631 /nfs/dbraw/zinc/01/86/31/721018631.db2.gz CWVLJIHHBJUEDL-OAHLLOKOSA-N 1 0 419.489 3.633 20 30 HHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900087 721525889 /nfs/dbraw/zinc/52/58/89/721525889.db2.gz NWYFKYGETNCZFI-ZBFHGGJFSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912403 721536756 /nfs/dbraw/zinc/53/67/56/721536756.db2.gz ZPKHVUKKDWNFAK-NVXWUHKLSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164904234 721586070 /nfs/dbraw/zinc/58/60/70/721586070.db2.gz DXDKDIYRQYDCJW-IBGZPJMESA-N 1 0 403.864 3.739 20 30 HHEDRO N#Cc1cc2c(nc1N1CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C1)CCCC2 ZINC001164908207 721724088 /nfs/dbraw/zinc/72/40/88/721724088.db2.gz WKINGTPMUDYSLC-QHCPKHFHSA-N 1 0 423.511 3.965 20 30 HHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(cc3C#N)CCCC4)C[C@@H]21 ZINC001165027386 721823605 /nfs/dbraw/zinc/82/36/05/721823605.db2.gz SAFFLIJWYAJKCG-NGYIFUPDSA-N 1 0 401.558 3.964 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH]ccc3ncc(C#N)c2-3)CC1 ZINC001165022057 721842918 /nfs/dbraw/zinc/84/29/18/721842918.db2.gz OLPWPEILMMTCOY-UHFFFAOYSA-N 1 0 405.502 3.553 20 30 HHEDRO N#Cc1ccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C(F)(F)F ZINC000301157181 970778935 /nfs/dbraw/zinc/77/89/35/970778935.db2.gz CFTQXJRBRMHCFI-GOSISDBHSA-N 1 0 416.447 3.886 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccnc4cc(Br)cnc43)CC2)cc1 ZINC000302105004 971177066 /nfs/dbraw/zinc/17/70/66/971177066.db2.gz NDEAUXCHIDSIAL-UHFFFAOYSA-N 1 0 422.330 3.976 20 30 HHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc([S@](C)=O)cc1 ZINC000553102408 1013067776 /nfs/dbraw/zinc/06/77/76/1013067776.db2.gz OYNDFGRNHAVWCE-POXGOYDTSA-N 1 0 415.584 3.915 20 30 HHEDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000302711782 971288064 /nfs/dbraw/zinc/28/80/64/971288064.db2.gz ZOYHKPPAXHYAKC-UHFFFAOYSA-N 1 0 417.469 3.887 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000553119149 1013081081 /nfs/dbraw/zinc/08/10/81/1013081081.db2.gz BRNRDODYDFJSTM-UHFFFAOYSA-N 1 0 424.589 3.887 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000303278388 971593787 /nfs/dbraw/zinc/59/37/87/971593787.db2.gz DTXSMXIFRREMJK-UHFFFAOYSA-N 1 0 424.520 3.918 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Cn2c(C)c(Br)c3ccccc32)CC1 ZINC000303282531 971597070 /nfs/dbraw/zinc/59/70/70/971597070.db2.gz MMNATWYZGAFFGP-UHFFFAOYSA-N 1 0 404.352 3.869 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000303285605 971599146 /nfs/dbraw/zinc/59/91/46/971599146.db2.gz NDVAOKVRGVYCSG-UHFFFAOYSA-N 1 0 408.527 3.749 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000303320581 971627579 /nfs/dbraw/zinc/62/75/79/971627579.db2.gz UZGKCSMOJIGHNK-UHFFFAOYSA-N 1 0 407.514 3.718 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000303352235 971651604 /nfs/dbraw/zinc/65/16/04/971651604.db2.gz FJTAVHSRHYEYLX-SFHVURJKSA-N 1 0 400.592 3.827 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1Cl ZINC000303424627 971705234 /nfs/dbraw/zinc/70/52/34/971705234.db2.gz AIOUBYKLKYKTDY-YQQQUEKLSA-N 1 0 415.946 3.686 20 30 HHEDRO C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000303471075 971772840 /nfs/dbraw/zinc/77/28/40/971772840.db2.gz NCROOFBPHBYDOP-GOSISDBHSA-N 1 0 403.482 3.981 20 30 HHEDRO C#CCNC(=O)c1ccc(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nc1 ZINC000303560257 971854798 /nfs/dbraw/zinc/85/47/98/971854798.db2.gz WYIMPYJIRGQDTO-NRFANRHFSA-N 1 0 416.550 3.718 20 30 HHEDRO N#CCOc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000303582912 971875164 /nfs/dbraw/zinc/87/51/64/971875164.db2.gz PMDCEFKJXAGMQS-IBGZPJMESA-N 1 0 417.431 3.541 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000303799916 972036358 /nfs/dbraw/zinc/03/63/58/972036358.db2.gz GPDHTMBQHRONQX-FQEVSTJZSA-N 1 0 408.542 3.926 20 30 HHEDRO C=CC[N@H+](Cc1cnc(-c2ccccn2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629721 1013183045 /nfs/dbraw/zinc/18/30/45/1013183045.db2.gz YPRLGWPKENSWOU-INIZCTEOSA-N 1 0 403.515 3.930 20 30 HHEDRO C=CC[N@@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630228 1013184186 /nfs/dbraw/zinc/18/41/86/1013184186.db2.gz NMRKLPOWJITYAE-DLBZAZTESA-N 1 0 405.502 3.744 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000303860902 972401799 /nfs/dbraw/zinc/40/17/99/972401799.db2.gz TYMMEQBMHDEAOE-UHFFFAOYSA-N 1 0 406.530 3.788 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCc2cccc(COc3ccccc3)c2)cc1OC ZINC000303865660 972407731 /nfs/dbraw/zinc/40/77/31/972407731.db2.gz BSBFTASVRDHQNP-UHFFFAOYSA-N 1 0 419.525 3.930 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000303867375 972409797 /nfs/dbraw/zinc/40/97/97/972409797.db2.gz CVMCNKRGCBWMGV-UHFFFAOYSA-N 1 0 406.958 3.677 20 30 HHEDRO CCNC(=O)COc1cccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303879557 972420458 /nfs/dbraw/zinc/42/04/58/972420458.db2.gz JQZGNFWPZHKFCK-CYBMUJFWSA-N 1 0 423.344 3.674 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCCCS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000303881396 972421665 /nfs/dbraw/zinc/42/16/65/972421665.db2.gz KWFAUBUTUKANJL-CYBMUJFWSA-N 1 0 414.358 3.823 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000303882032 972422792 /nfs/dbraw/zinc/42/27/92/972422792.db2.gz RESRDSDRHUYRAL-VQTJNVASSA-N 1 0 409.534 3.598 20 30 HHEDRO CCNC(=O)COc1ccc(CNC(=[NH2+])Nc2ccc([C@H](C)CC)cc2)cc1OC ZINC000303886971 972426978 /nfs/dbraw/zinc/42/69/78/972426978.db2.gz KPEVPCHQHGYGHM-MRXNPFEDSA-N 1 0 412.534 3.650 20 30 HHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000303893223 972432597 /nfs/dbraw/zinc/43/25/97/972432597.db2.gz RUNXZCYEKWRKJE-IBGZPJMESA-N 1 0 410.562 3.838 20 30 HHEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCCc2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000303899842 972437255 /nfs/dbraw/zinc/43/72/55/972437255.db2.gz WICBKPLTOXXZQM-KRWDZBQOSA-N 1 0 408.546 3.827 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000303906479 972476918 /nfs/dbraw/zinc/47/69/18/972476918.db2.gz TYYPWJQBRTURPR-QGZVFWFLSA-N 1 0 406.530 3.672 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(CO)c2)c(C)n1C ZINC000010829195 961921847 /nfs/dbraw/zinc/92/18/47/961921847.db2.gz QIPPNPCZSFBMJU-UHFFFAOYSA-O 1 0 412.510 3.612 20 30 HHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000553372922 1013309419 /nfs/dbraw/zinc/30/94/19/1013309419.db2.gz IQPCCOIVKCXPBN-IBGZPJMESA-N 1 0 402.970 3.761 20 30 HHEDRO C=CC[C@H](C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000553377467 1013312006 /nfs/dbraw/zinc/31/20/06/1013312006.db2.gz GJCPUXLTVBDNNH-DQEYMECFSA-N 1 0 403.570 3.765 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553409364 1013335217 /nfs/dbraw/zinc/33/52/17/1013335217.db2.gz XRVBLJKKAYVSCF-INIZCTEOSA-N 1 0 411.775 3.580 20 30 HHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C#N)o1 ZINC000553462724 1013374007 /nfs/dbraw/zinc/37/40/07/1013374007.db2.gz GTLVAIJLGIBJAA-UHFFFAOYSA-N 1 0 416.330 3.601 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000542422401 1013374365 /nfs/dbraw/zinc/37/43/65/1013374365.db2.gz VIVIZNBNMHMJHL-IBGZPJMESA-N 1 0 412.490 3.525 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C#N)ccc2OCCOC)C1 ZINC000542425310 1013378130 /nfs/dbraw/zinc/37/81/30/1013378130.db2.gz NHZJBDUHSARNRI-KRWDZBQOSA-N 1 0 402.539 3.606 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[NH+](C)C)cc1 ZINC000553535962 1013433492 /nfs/dbraw/zinc/43/34/92/1013433492.db2.gz ALIFNPCCTCSZND-JOCHJYFZSA-N 1 0 424.520 3.862 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(CO)c2)c(C)s1 ZINC000022730830 963705151 /nfs/dbraw/zinc/70/51/51/963705151.db2.gz ZTELREWHKRWFHT-UHFFFAOYSA-O 1 0 411.572 3.873 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000022850508 963728356 /nfs/dbraw/zinc/72/83/56/963728356.db2.gz RBBGFQCMNXAFHU-UHFFFAOYSA-N 1 0 407.905 3.970 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000023009253 963753091 /nfs/dbraw/zinc/75/30/91/963753091.db2.gz HGCDKTANZGKXHD-UHFFFAOYSA-N 1 0 402.951 3.810 20 30 HHEDRO C=CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1OC ZINC000023245640 963788813 /nfs/dbraw/zinc/78/88/13/963788813.db2.gz FZIZDFABHPNOBM-UHFFFAOYSA-N 1 0 410.514 3.617 20 30 HHEDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000542532478 1013476297 /nfs/dbraw/zinc/47/62/97/1013476297.db2.gz QXCKEBNIYYYSPA-DYVFJYSZSA-N 1 0 403.548 3.537 20 30 HHEDRO COC(=O)C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 ZINC000542529494 1013471803 /nfs/dbraw/zinc/47/18/03/1013471803.db2.gz GSHCPTFVZVIPLW-OXJNMPFZSA-N 1 0 403.498 3.562 20 30 HHEDRO COC(=O)C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 ZINC000542529495 1013472162 /nfs/dbraw/zinc/47/21/62/1013472162.db2.gz GSHCPTFVZVIPLW-OXQOHEQNSA-N 1 0 403.498 3.562 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000025934198 964395832 /nfs/dbraw/zinc/39/58/32/964395832.db2.gz UHRTVLZMHLNYPJ-RUZDIDTESA-N 1 0 416.569 3.650 20 30 HHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051052646 964451863 /nfs/dbraw/zinc/45/18/63/964451863.db2.gz KVDLNTTZXIGAMD-WBVHZDCISA-N 1 0 404.942 3.557 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CC(N)=O)C2CCCCC2)sc2c1CCCCC2 ZINC000542561923 1013504361 /nfs/dbraw/zinc/50/43/61/1013504361.db2.gz HRXBGCNYIXHBRT-SFHVURJKSA-N 1 0 416.591 3.631 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c1 ZINC000027383751 964870715 /nfs/dbraw/zinc/87/07/15/964870715.db2.gz JZOSZWRVQCZWDD-UHFFFAOYSA-N 1 0 408.571 3.958 20 30 HHEDRO CCCCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000052722646 964966807 /nfs/dbraw/zinc/96/68/07/964966807.db2.gz IEPRKMNRQRAUFD-UHFFFAOYSA-N 1 0 404.942 3.559 20 30 HHEDRO CCC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccc(C#N)cc1 ZINC000052826006 964995035 /nfs/dbraw/zinc/99/50/35/964995035.db2.gz DGCOLBSKALBJEY-UHFFFAOYSA-N 1 0 405.542 3.635 20 30 HHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953253 965007391 /nfs/dbraw/zinc/00/73/91/965007391.db2.gz RZPXJMXLXGPBTP-QFKVYABISA-N 1 0 410.562 3.656 20 30 HHEDRO N#Cc1cccc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000029153792 965285268 /nfs/dbraw/zinc/28/52/68/965285268.db2.gz AZYASGIHXFRDHC-UHFFFAOYSA-N 1 0 416.447 3.519 20 30 HHEDRO N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000057140191 965307134 /nfs/dbraw/zinc/30/71/34/965307134.db2.gz QSYORULOJCPVNQ-RUZDIDTESA-N 1 0 416.569 3.505 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057171688 965324291 /nfs/dbraw/zinc/32/42/91/965324291.db2.gz GJWQQZHOWDXHOC-UHFFFAOYSA-N 1 0 402.542 3.509 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000053979104 965334476 /nfs/dbraw/zinc/33/44/76/965334476.db2.gz FDSXKRPAMVRBHF-UHFFFAOYSA-N 1 0 414.456 3.577 20 30 HHEDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)cc1 ZINC000053993221 965341187 /nfs/dbraw/zinc/34/11/87/965341187.db2.gz KVWVEOIWCXAWKF-UHFFFAOYSA-N 1 0 419.481 3.601 20 30 HHEDRO Cc1nnc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c(C#N)c1C ZINC000029620581 965432063 /nfs/dbraw/zinc/43/20/63/965432063.db2.gz QEFSMJZWKCEZHJ-UHFFFAOYSA-N 1 0 412.541 3.899 20 30 HHEDRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000054677397 965607253 /nfs/dbraw/zinc/60/72/53/965607253.db2.gz YIJFBLZVYDQRRE-HNNXBMFYSA-N 1 0 413.547 3.788 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000054720113 965621768 /nfs/dbraw/zinc/62/17/68/965621768.db2.gz RNNXYOFSYGTSJX-REWPJTCUSA-N 1 0 417.557 3.615 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(N(C)C)cc2)cc1 ZINC000055014183 965727876 /nfs/dbraw/zinc/72/78/76/965727876.db2.gz CUOJSLCGJFIJBH-UHFFFAOYSA-O 1 0 400.568 3.766 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000055086510 965750665 /nfs/dbraw/zinc/75/06/65/965750665.db2.gz CPZAFUSXIGPJMZ-LJQANCHMSA-N 1 0 412.559 3.987 20 30 HHEDRO CN(C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCc2ccccc21 ZINC000055171773 965774217 /nfs/dbraw/zinc/77/42/17/965774217.db2.gz MXCOEKBXNATTED-VWLOTQADSA-N 1 0 416.569 3.602 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000059391077 966021021 /nfs/dbraw/zinc/02/10/21/966021021.db2.gz LXDOCRSCGKEOIH-UHFFFAOYSA-N 1 0 400.567 3.996 20 30 HHEDRO CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469509 966158911 /nfs/dbraw/zinc/15/89/11/966158911.db2.gz FWSUYVXBEZELOJ-HXUWFJFHSA-N 1 0 405.542 3.806 20 30 HHEDRO C[C@H]1C[NH+](CCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000032057595 966185654 /nfs/dbraw/zinc/18/56/54/966185654.db2.gz CYFPQUHAHGSWPZ-ROUUACIJSA-N 1 0 409.555 3.939 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000542723645 1013635602 /nfs/dbraw/zinc/63/56/02/1013635602.db2.gz YPQOTTQDTKEKKL-OALUTQOASA-N 1 0 413.525 3.630 20 30 HHEDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)N(CCC#N)c3ccccc3)c(C)c2)CC1 ZINC000056170268 966244689 /nfs/dbraw/zinc/24/46/89/966244689.db2.gz QSNBNQMIDWZCDX-NRFANRHFSA-N 1 0 419.573 3.884 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccc(F)cc1 ZINC000056950252 966526949 /nfs/dbraw/zinc/52/69/49/966526949.db2.gz YJQQKYDJJWNCTR-FQEVSTJZSA-N 1 0 400.523 3.533 20 30 HHEDRO COc1ccc(C)cc1C1(C[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CCOCC1 ZINC000062242281 966629438 /nfs/dbraw/zinc/62/94/38/966629438.db2.gz UPUBKWUVGIBIHZ-SFHVURJKSA-N 1 0 407.514 3.540 20 30 HHEDRO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000042133894 966728644 /nfs/dbraw/zinc/72/86/44/966728644.db2.gz LCZTVJYOXPJKAW-HXUWFJFHSA-N 1 0 412.578 3.567 20 30 HHEDRO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042684151 966828086 /nfs/dbraw/zinc/82/80/86/966828086.db2.gz STDJQVQEAXLQMG-LJQANCHMSA-N 1 0 413.525 3.641 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063394394 966841359 /nfs/dbraw/zinc/84/13/59/966841359.db2.gz ZUZRJQYRNUXFJO-UHFFFAOYSA-N 1 0 422.529 3.999 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000063401910 966845104 /nfs/dbraw/zinc/84/51/04/966845104.db2.gz XGBWCOANNSXEOI-UHFFFAOYSA-N 1 0 408.502 3.741 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000063788448 966957935 /nfs/dbraw/zinc/95/79/35/966957935.db2.gz KQCOZSWMGUTPMO-UHFFFAOYSA-N 1 0 420.557 3.689 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063789852 966958346 /nfs/dbraw/zinc/95/83/46/966958346.db2.gz SUFKMFUTGLHIAG-XMMPIXPASA-N 1 0 420.557 3.628 20 30 HHEDRO CC(C)C(=O)Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043674661 967012514 /nfs/dbraw/zinc/01/25/14/967012514.db2.gz PLCJTCGUQRWTAC-UHFFFAOYSA-N 1 0 419.529 3.893 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130061 967060104 /nfs/dbraw/zinc/06/01/04/967060104.db2.gz FGYKLODBWHHTKD-MRXNPFEDSA-N 1 0 400.592 3.633 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000542837376 1013699269 /nfs/dbraw/zinc/69/92/69/1013699269.db2.gz JQMVLGGUEQWTMP-UHFFFAOYSA-N 1 0 406.465 3.656 20 30 HHEDRO COc1ccc(CNC(=O)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000064410794 967176991 /nfs/dbraw/zinc/17/69/91/967176991.db2.gz QOIJJJLKJSYERN-UHFFFAOYSA-N 1 0 415.493 3.552 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(OC)c1 ZINC000064522314 967225045 /nfs/dbraw/zinc/22/50/45/967225045.db2.gz WGMYGUAWSWSFML-IBGZPJMESA-N 1 0 414.571 3.892 20 30 HHEDRO CCCCOc1ncccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000064768580 967289503 /nfs/dbraw/zinc/28/95/03/967289503.db2.gz BSOSXWHLDXGQNK-UHFFFAOYSA-N 1 0 421.545 3.550 20 30 HHEDRO CCCOc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000045881168 967586153 /nfs/dbraw/zinc/58/61/53/967586153.db2.gz NNAJUCOMJOYASF-UHFFFAOYSA-N 1 0 406.530 3.765 20 30 HHEDRO O=C(Nc1nnc(SCc2ccc(F)cc2)s1)N1CC[NH+](CC2CC2)CC1 ZINC000047350377 968150003 /nfs/dbraw/zinc/15/00/03/968150003.db2.gz JDYSGVXMZLTXAG-UHFFFAOYSA-N 1 0 407.540 3.543 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000542944182 1013777573 /nfs/dbraw/zinc/77/75/73/1013777573.db2.gz CIQJIJUGFHLNHX-MRXNPFEDSA-N 1 0 418.969 3.899 20 30 HHEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(-n2ccnn2)cc1 ZINC000538228497 1013778426 /nfs/dbraw/zinc/77/84/26/1013778426.db2.gz YDHQKNIFNKPLCP-HNNXBMFYSA-N 1 0 420.542 3.759 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000047522534 968220623 /nfs/dbraw/zinc/22/06/23/968220623.db2.gz DTAVFKYVBKWEBG-MRXNPFEDSA-N 1 0 406.530 3.809 20 30 HHEDRO COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)c(OC)c1 ZINC000554078845 1013788855 /nfs/dbraw/zinc/78/88/55/1013788855.db2.gz NNEITEHVXHMHQX-PKTZIBPZSA-N 1 0 419.525 3.734 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 ZINC000538256089 1013797938 /nfs/dbraw/zinc/79/79/38/1013797938.db2.gz CAXGNKDHWBOHQE-HXUWFJFHSA-N 1 0 404.518 3.823 20 30 HHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)C1 ZINC000554128954 1013811231 /nfs/dbraw/zinc/81/12/31/1013811231.db2.gz VWAMRQSBRCPDKO-XLNZFTOWSA-N 1 0 403.526 3.940 20 30 HHEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C#N)c(C)c1C ZINC000065826828 968665679 /nfs/dbraw/zinc/66/56/79/968665679.db2.gz KCVYICOZXQMWKF-QUCCMNQESA-N 1 0 408.571 3.922 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000065930288 968720486 /nfs/dbraw/zinc/72/04/86/968720486.db2.gz AQCZYFGEGPRDRO-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000065930268 968720601 /nfs/dbraw/zinc/72/06/01/968720601.db2.gz SOCFTJGAVPCTEH-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)c(F)c1 ZINC000065930345 968720798 /nfs/dbraw/zinc/72/07/98/968720798.db2.gz GGCURXKWPNOCHU-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930937 968721413 /nfs/dbraw/zinc/72/14/13/968721413.db2.gz HIBIRKPRQQEIFP-UHFFFAOYSA-N 1 0 409.578 3.551 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000072006679 968928666 /nfs/dbraw/zinc/92/86/66/968928666.db2.gz ZSBRYDXOCSSJQR-NRFANRHFSA-N 1 0 407.514 3.535 20 30 HHEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)c2)cc1 ZINC000078994404 969026894 /nfs/dbraw/zinc/02/68/94/969026894.db2.gz XJQJILYTZKGTNK-HXUWFJFHSA-N 1 0 405.498 3.535 20 30 HHEDRO CCOc1ccc(NC(=O)[C@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000097571224 969164865 /nfs/dbraw/zinc/16/48/65/969164865.db2.gz RJKJRQPMVLUBTM-SFHVURJKSA-N 1 0 424.545 3.735 20 30 HHEDRO CC(=O)c1ccc(NC(=O)[C@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000097571499 969166017 /nfs/dbraw/zinc/16/60/17/969166017.db2.gz HEIASSXLPMLVSM-SFHVURJKSA-N 1 0 422.529 3.539 20 30 HHEDRO NC(=NOCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1C[NH+]1CCCCC1 ZINC000109392281 969511250 /nfs/dbraw/zinc/51/12/50/969511250.db2.gz PGTFWUFALFXQPW-HSZRJFAPSA-N 1 0 420.557 3.503 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000110945816 969745418 /nfs/dbraw/zinc/74/54/18/969745418.db2.gz SVWZDIKWQYFAJF-NRFANRHFSA-N 1 0 422.529 3.650 20 30 HHEDRO CN(C(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)C1(C#N)CCCCC1 ZINC000111040884 969765034 /nfs/dbraw/zinc/76/50/34/969765034.db2.gz UPLJAOMMZYYZTI-UHFFFAOYSA-N 1 0 411.525 3.765 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)c1C#N ZINC000111052268 969767965 /nfs/dbraw/zinc/76/79/65/969767965.db2.gz QCESFLAIQWBTOC-QFIPXVFZSA-N 1 0 419.573 3.524 20 30 HHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000116676014 969913799 /nfs/dbraw/zinc/91/37/99/969913799.db2.gz XWKRSZVMVUHNRC-GOEBONIOSA-N 1 0 406.552 3.716 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000195660517 969939131 /nfs/dbraw/zinc/93/91/31/969939131.db2.gz TVBMOPYQHZJCIY-BJKOFHAPSA-N 1 0 420.557 3.799 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1Cl ZINC000554374766 1013925357 /nfs/dbraw/zinc/92/53/57/1013925357.db2.gz ZHEYSEDNQHHXNC-UKRRQHHQSA-N 1 0 409.964 3.777 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(C/C=C\c3ccccc3)CC1)CCC2 ZINC000209715718 970023100 /nfs/dbraw/zinc/02/31/00/970023100.db2.gz NAJSQLQPTYSWQZ-YVMONPNESA-N 1 0 420.582 3.768 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC([NH+]3CCCC3)CC2)cc1C ZINC000139961162 970056022 /nfs/dbraw/zinc/05/60/22/970056022.db2.gz WNFUUATVIGRTGZ-UHFFFAOYSA-N 1 0 405.546 3.781 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000237432820 970285372 /nfs/dbraw/zinc/28/53/72/970285372.db2.gz NOUMINYHSKCROJ-UHFFFAOYSA-N 1 0 410.514 3.663 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc(OC)c1O ZINC000237453041 970291509 /nfs/dbraw/zinc/29/15/09/970291509.db2.gz SEFZWJSVBXBUNT-NRFANRHFSA-N 1 0 416.949 3.946 20 30 HHEDRO C=CCN1CCC([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000237696719 970341529 /nfs/dbraw/zinc/34/15/29/970341529.db2.gz DMKNNNKSDNKPDC-UHFFFAOYSA-N 1 0 403.368 3.992 20 30 HHEDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000237772254 970362530 /nfs/dbraw/zinc/36/25/30/970362530.db2.gz QJKPVWDEYOXEMG-QHCPKHFHSA-N 1 0 402.494 3.975 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)nc1 ZINC000237957860 970405213 /nfs/dbraw/zinc/40/52/13/970405213.db2.gz GVTSSJPEVOPXRQ-UHFFFAOYSA-N 1 0 403.442 3.880 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)c1 ZINC000237972403 970407780 /nfs/dbraw/zinc/40/77/80/970407780.db2.gz TYYXSRYVFOBSCF-HXUWFJFHSA-N 1 0 424.447 3.945 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000554629592 1013993422 /nfs/dbraw/zinc/99/34/22/1013993422.db2.gz RGMPHOZEAXNMLO-XMMPIXPASA-N 1 0 419.569 3.933 20 30 HHEDRO Cc1ccc([C@@H](C)NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000248172528 970517604 /nfs/dbraw/zinc/51/76/04/970517604.db2.gz XCAMZMUAIPCLAV-OAQYLSRUSA-N 1 0 404.558 3.560 20 30 HHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000554723930 1014032016 /nfs/dbraw/zinc/03/20/16/1014032016.db2.gz XZHRXAABULQLHV-GOSISDBHSA-N 1 0 400.482 3.996 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@@H]1C ZINC000554738582 1014035355 /nfs/dbraw/zinc/03/53/55/1014035355.db2.gz PDZNRHIPAYOBKH-DLBZAZTESA-N 1 0 402.970 3.759 20 30 HHEDRO C#CCC[NH+]1CCN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301123698 970759696 /nfs/dbraw/zinc/75/96/96/970759696.db2.gz RYNPWVRTYGXXIJ-UHFFFAOYSA-N 1 0 405.571 3.565 20 30 HHEDRO Cc1ccc(NC(=[NH2+])NCCCNC(=O)c2cccc(Br)c2)cc1C ZINC000303973852 972560053 /nfs/dbraw/zinc/56/00/53/972560053.db2.gz HHQWFLUZSICPFZ-UHFFFAOYSA-N 1 0 403.324 3.613 20 30 HHEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000303974498 972561340 /nfs/dbraw/zinc/56/13/40/972561340.db2.gz HXACBGBFHVRFRO-IBGZPJMESA-N 1 0 406.452 3.814 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)c1 ZINC000303976001 972562012 /nfs/dbraw/zinc/56/20/12/972562012.db2.gz JPWYATFLPZCTOD-OAHLLOKOSA-N 1 0 402.926 3.919 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCN(c3ccccc3OC)C2)c1 ZINC000303976408 972562326 /nfs/dbraw/zinc/56/23/26/972562326.db2.gz KEEAPDSXYZAQME-KRWDZBQOSA-N 1 0 412.534 3.746 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1Cl ZINC000303975761 972562437 /nfs/dbraw/zinc/56/24/37/972562437.db2.gz JKTSPLCEMXWIQN-SFHVURJKSA-N 1 0 423.344 3.802 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1cccnc1OCC(F)(F)F ZINC000304495435 972601076 /nfs/dbraw/zinc/60/10/76/972601076.db2.gz PJMVZXZKZMLYKL-UHFFFAOYSA-N 1 0 422.329 3.526 20 30 HHEDRO COc1cccc(N2CC[C@H](CNC(=[NH2+])NCc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000304488562 972601327 /nfs/dbraw/zinc/60/13/27/972601327.db2.gz KYNNIXYKLUKHPQ-MRXNPFEDSA-N 1 0 422.451 3.525 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)cc2)C[C@H](C)O1 ZINC000304678013 972602754 /nfs/dbraw/zinc/60/27/54/972602754.db2.gz NYIFAHOEYDAVKW-HDICACEKSA-N 1 0 420.557 3.742 20 30 HHEDRO Cc1cccc(NC(=[NH2+])NCCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000304738011 972603952 /nfs/dbraw/zinc/60/39/52/972603952.db2.gz APXZAQFQXZXPOX-UHFFFAOYSA-N 1 0 403.324 3.533 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2Br)cc1OC ZINC000304730991 972604284 /nfs/dbraw/zinc/60/42/84/972604284.db2.gz RBXSAOLYBLIGAT-GFCCVEGCSA-N 1 0 408.296 3.660 20 30 HHEDRO CC(C)(C)OC(=O)N[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000304757186 972604304 /nfs/dbraw/zinc/60/43/04/972604304.db2.gz ONRGAXIANVHXNP-RTBURBONSA-N 1 0 410.518 3.681 20 30 HHEDRO COCCOc1cc(C)ccc1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304946622 972608077 /nfs/dbraw/zinc/60/80/77/972608077.db2.gz PZGVXGNZTXTFAK-UHFFFAOYSA-N 1 0 411.424 3.523 20 30 HHEDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c(O[C@@H]2CCOC2)c1 ZINC000305069898 972608384 /nfs/dbraw/zinc/60/83/84/972608384.db2.gz SOZJUDBXRJZSCU-GOSISDBHSA-N 1 0 423.435 3.666 20 30 HHEDRO [NH2+]=C(NCc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1OC(F)(F)F ZINC000305214234 972609899 /nfs/dbraw/zinc/60/98/99/972609899.db2.gz HUDQPMIXXSGDLZ-UHFFFAOYSA-N 1 0 401.772 3.937 20 30 HHEDRO [NH2+]=C(NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)CCC2 ZINC000305176635 972610425 /nfs/dbraw/zinc/61/04/25/972610425.db2.gz VLEWHCJERWJYIQ-OAHLLOKOSA-N 1 0 407.436 3.652 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000409649268 973099520 /nfs/dbraw/zinc/09/95/20/973099520.db2.gz CBPZJKAEGZNCPH-CTNGQTDRSA-N 1 0 403.364 3.810 20 30 HHEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)c(C#N)n2)[C@@H]1c1cnn(C)c1 ZINC000409665164 973122009 /nfs/dbraw/zinc/12/20/09/973122009.db2.gz KRGDVWJYJYMUFU-IFXJQAMLSA-N 1 0 406.456 3.615 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)Nc1cccc(C#N)c1 ZINC000409850192 973318762 /nfs/dbraw/zinc/31/87/62/973318762.db2.gz LPJULOPEMTYPBP-YVEFUNNKSA-N 1 0 400.276 3.761 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000410100197 973575353 /nfs/dbraw/zinc/57/53/53/973575353.db2.gz HAUDRMXVAWWZNP-QGZVFWFLSA-N 1 0 408.340 3.612 20 30 HHEDRO N#Cc1cc(S(=O)(=O)NCCCCC[NH+]2CCCCC2)ccc1C(F)(F)F ZINC000410200499 973696636 /nfs/dbraw/zinc/69/66/36/973696636.db2.gz TZLIAWPHBUVFCZ-UHFFFAOYSA-N 1 0 403.470 3.512 20 30 HHEDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCCCC1 ZINC000425941764 974050847 /nfs/dbraw/zinc/05/08/47/974050847.db2.gz KMIURAZMNBPUFC-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCOC4(CCCCC4)C3)CC2)cc1 ZINC000426503000 974492287 /nfs/dbraw/zinc/49/22/87/974492287.db2.gz HDBBAMRWKDQFTO-QFIPXVFZSA-N 1 0 410.562 3.657 20 30 HHEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)[NH+]1CCCC1 ZINC000426686219 974598886 /nfs/dbraw/zinc/59/88/86/974598886.db2.gz CMFUYNJYERJMLQ-NRFANRHFSA-N 1 0 420.513 3.526 20 30 HHEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426797221 974667583 /nfs/dbraw/zinc/66/75/83/974667583.db2.gz APOYJBRAXAVXNU-QGZVFWFLSA-N 1 0 402.947 3.924 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](C)Cn3cccn3)sc2C1 ZINC000427003832 974815764 /nfs/dbraw/zinc/81/57/64/974815764.db2.gz ASZJGHPHGQDCGR-HZPDHXFCSA-N 1 0 413.591 3.974 20 30 HHEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427283994 975024143 /nfs/dbraw/zinc/02/41/43/975024143.db2.gz YPXZFBBINPWCAB-HSZRJFAPSA-N 1 0 415.541 3.853 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427480775 975139900 /nfs/dbraw/zinc/13/99/00/975139900.db2.gz QTSRDZSGGAHKQO-VWLOTQADSA-N 1 0 418.541 3.597 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000427644608 975222130 /nfs/dbraw/zinc/22/21/30/975222130.db2.gz JVXMPWNFLXOEGT-UHFFFAOYSA-N 1 0 404.495 3.625 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000427868020 975328961 /nfs/dbraw/zinc/32/89/61/975328961.db2.gz VSTLXNUMFYUUDX-AUSJPIAWSA-N 1 0 401.507 3.814 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)c2)c1 ZINC000428485634 975784994 /nfs/dbraw/zinc/78/49/94/975784994.db2.gz SGXXFFIICQHRHB-LJQANCHMSA-N 1 0 417.431 3.638 20 30 HHEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000428488078 975787522 /nfs/dbraw/zinc/78/75/22/975787522.db2.gz YSESKYQBOMGKTF-SFHVURJKSA-N 1 0 400.544 3.984 20 30 HHEDRO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1OCCCC#N ZINC000428547419 975854066 /nfs/dbraw/zinc/85/40/66/975854066.db2.gz OTCZAPYOCFKCTD-UHFFFAOYSA-N 1 0 422.934 3.724 20 30 HHEDRO Cn1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)c(-c2ccc(C#N)cc2)n1 ZINC000428572572 975884416 /nfs/dbraw/zinc/88/44/16/975884416.db2.gz NCHKYMBSGSHDMJ-ZCYQVOJMSA-N 1 0 418.516 3.961 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cc(OC)ccc2Br)CC1 ZINC000428626224 975930053 /nfs/dbraw/zinc/93/00/53/975930053.db2.gz KQWSPUUTDKSFAN-UHFFFAOYSA-N 1 0 410.356 3.640 20 30 HHEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428701635 975992923 /nfs/dbraw/zinc/99/29/23/975992923.db2.gz RVXZDPXXGIUDBR-HXUWFJFHSA-N 1 0 409.534 3.527 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000428789966 976064839 /nfs/dbraw/zinc/06/48/39/976064839.db2.gz PRAOIQKUKZQAPP-KDOFPFPSSA-N 1 0 423.376 3.737 20 30 HHEDRO C[C@@H](NC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795334 976071036 /nfs/dbraw/zinc/07/10/36/976071036.db2.gz RAUKETFEELOVOC-CJNGLKHVSA-N 1 0 419.312 3.591 20 30 HHEDRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000428991014 976271617 /nfs/dbraw/zinc/27/16/17/976271617.db2.gz HAXYWOWFFZBTOG-ZDUSSCGKSA-N 1 0 406.914 3.952 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429004966 976285221 /nfs/dbraw/zinc/28/52/21/976285221.db2.gz LUECHHJWJJKSHE-MLYOOKFZSA-N 1 0 400.592 3.681 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C#N ZINC000429016179 976297019 /nfs/dbraw/zinc/29/70/19/976297019.db2.gz AVTKXKMGXKGETM-IEGUWTFLSA-N 1 0 419.573 3.566 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429084977 976370326 /nfs/dbraw/zinc/37/03/26/976370326.db2.gz PHUBYMPQFFJAAT-WMZHIEFXSA-N 1 0 413.525 3.714 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000429222147 976515270 /nfs/dbraw/zinc/51/52/70/976515270.db2.gz PYTYMAKNSRMGLQ-HZPDHXFCSA-N 1 0 404.942 3.955 20 30 HHEDRO CCCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000429640679 976932441 /nfs/dbraw/zinc/93/24/41/976932441.db2.gz ZDDCWFOXKVCLDC-UHFFFAOYSA-N 1 0 400.502 3.663 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)[NH+](C)C)c1 ZINC000429738117 977029671 /nfs/dbraw/zinc/02/96/71/977029671.db2.gz VLXAMMLKGGYJJL-JOCHJYFZSA-N 1 0 417.513 3.505 20 30 HHEDRO COc1ccccc1-n1nccc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000430022221 977277378 /nfs/dbraw/zinc/27/73/78/977277378.db2.gz LCAJFLRIDWMFGY-UHFFFAOYSA-N 1 0 403.486 3.627 20 30 HHEDRO Cc1ccccc1Cc1noc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000430055950 977301383 /nfs/dbraw/zinc/30/13/83/977301383.db2.gz YZGAXXKMZPQRCK-UHFFFAOYSA-N 1 0 401.514 3.548 20 30 HHEDRO Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)cs1 ZINC000430176368 977370546 /nfs/dbraw/zinc/37/05/46/977370546.db2.gz JRIJNAKREXNCFP-NRFANRHFSA-N 1 0 406.511 3.951 20 30 HHEDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430184565 977377099 /nfs/dbraw/zinc/37/70/99/977377099.db2.gz GQSWKYAPWRCZRS-QFIPXVFZSA-N 1 0 401.514 3.777 20 30 HHEDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)c([N+](=O)[O-])c1 ZINC000430185815 977377697 /nfs/dbraw/zinc/37/76/97/977377697.db2.gz KIKVCFFMYXBSRH-GOSISDBHSA-N 1 0 420.425 3.783 20 30 HHEDRO C=CCN1C(=O)N(Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430755032 977732005 /nfs/dbraw/zinc/73/20/05/977732005.db2.gz NUZCKHRKSZUDTG-QHCPKHFHSA-N 1 0 403.526 3.844 20 30 HHEDRO Cc1noc(C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c2ccccc2)n1 ZINC000431176988 978076533 /nfs/dbraw/zinc/07/65/33/978076533.db2.gz FZPKUDPILFUULF-LAUBAEHRSA-N 1 0 403.486 3.587 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431704488 978447708 /nfs/dbraw/zinc/44/77/08/978447708.db2.gz XXUOHYQIOBETKJ-UEVCKROQSA-N 1 0 403.526 3.711 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000431957627 978618728 /nfs/dbraw/zinc/61/87/28/978618728.db2.gz GTJTXHAVBAEUGJ-NQIIRXRSSA-N 1 0 406.530 3.687 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)Nc1cccc(C#N)c1C)[NH2+][C@@H](C)c1ccccc1 ZINC000431963392 978620517 /nfs/dbraw/zinc/62/05/17/978620517.db2.gz DVKNARAIDNQCTL-SFHVURJKSA-N 1 0 406.530 3.831 20 30 HHEDRO N#Cc1cscc1C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000432491792 978845680 /nfs/dbraw/zinc/84/56/80/978845680.db2.gz FAIRRRRFUQNCHA-UHFFFAOYSA-N 1 0 422.476 3.581 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000432567020 978891461 /nfs/dbraw/zinc/89/14/61/978891461.db2.gz FQLJRNKLTXDGGV-LJQANCHMSA-N 1 0 410.543 3.682 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433177282 979121244 /nfs/dbraw/zinc/12/12/44/979121244.db2.gz DIHAZZAIHIVITE-HXUWFJFHSA-N 1 0 400.530 3.865 20 30 HHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180805 979124146 /nfs/dbraw/zinc/12/41/46/979124146.db2.gz YVGLPHSKATWYID-FQEVSTJZSA-N 1 0 402.542 3.873 20 30 HHEDRO COc1cc(C[N@H+](CCO)[C@H]2CCCSC2)ccc1OCc1cccc(C#N)c1 ZINC000433202589 979138030 /nfs/dbraw/zinc/13/80/30/979138030.db2.gz RTZJVIBZRAEFMX-NRFANRHFSA-N 1 0 412.555 3.836 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433299379 979223563 /nfs/dbraw/zinc/22/35/63/979223563.db2.gz BURPGRGWCLTFFM-QHCPKHFHSA-N 1 0 400.530 3.613 20 30 HHEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(-c2ccccc2)no1 ZINC000433311989 979229277 /nfs/dbraw/zinc/22/92/77/979229277.db2.gz OPFJOLJZWZCKGQ-QGZVFWFLSA-N 1 0 413.485 3.802 20 30 HHEDRO CCc1ccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)N(C)C)cc1 ZINC000433311658 979229656 /nfs/dbraw/zinc/22/96/56/979229656.db2.gz NJNWNNSXXGPNOH-HSZRJFAPSA-N 1 0 402.546 3.814 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(-c2ccncc2)n1 ZINC000433326720 979239244 /nfs/dbraw/zinc/23/92/44/979239244.db2.gz MDMDPPIJQKWUFW-UHFFFAOYSA-N 1 0 409.877 3.573 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c(-c2ccncc2)n1 ZINC000433334192 979243747 /nfs/dbraw/zinc/24/37/47/979243747.db2.gz JVYUGEXYCREPOY-UHFFFAOYSA-N 1 0 417.300 3.729 20 30 HHEDRO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433335315 979244471 /nfs/dbraw/zinc/24/44/71/979244471.db2.gz PDGOWQPNALSUCS-UHFFFAOYSA-N 1 0 416.529 3.631 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(-c2ccncc2)n1 ZINC000433337155 979246239 /nfs/dbraw/zinc/24/62/39/979246239.db2.gz RNQWHHIKOABCBK-OAQYLSRUSA-N 1 0 404.518 3.769 20 30 HHEDRO CCCNc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000434452933 980190400 /nfs/dbraw/zinc/19/04/00/980190400.db2.gz HJBIUWPQQGASBN-UHFFFAOYSA-N 1 0 405.546 3.798 20 30 HHEDRO CCn1nccc1C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000434755231 980381184 /nfs/dbraw/zinc/38/11/84/980381184.db2.gz KLZCGVGXOIROIR-UHFFFAOYSA-N 1 0 411.575 3.923 20 30 HHEDRO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H]1COc2ccccc2O1 ZINC000434834890 980431965 /nfs/dbraw/zinc/43/19/65/980431965.db2.gz WGKJPBASJIUGRO-FQEVSTJZSA-N 1 0 403.486 3.521 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434896506 980477450 /nfs/dbraw/zinc/47/74/50/980477450.db2.gz QWAHLUSVSZBSNW-PZJWPPBQSA-N 1 0 408.546 3.830 20 30 HHEDRO Cc1csc(NC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)n1 ZINC000434982110 980547528 /nfs/dbraw/zinc/54/75/28/980547528.db2.gz NMULCGOKZZTXEZ-UHFFFAOYSA-N 1 0 407.547 3.700 20 30 HHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000434987677 980552118 /nfs/dbraw/zinc/55/21/18/980552118.db2.gz OOSLTCKCQWOZAN-CTNGQTDRSA-N 1 0 423.536 3.602 20 30 HHEDRO COc1cc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000435039485 980588540 /nfs/dbraw/zinc/58/85/40/980588540.db2.gz GWBHFFPCOVIBPO-UHFFFAOYSA-N 1 0 411.933 3.887 20 30 HHEDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)CC1 ZINC000435132534 980663272 /nfs/dbraw/zinc/66/32/72/980663272.db2.gz JZUSAEPAIYTLKE-NRFANRHFSA-N 1 0 406.578 3.803 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000435331180 980789433 /nfs/dbraw/zinc/78/94/33/980789433.db2.gz YZAPYIMYCBUZTC-UHFFFAOYSA-N 1 0 411.300 3.828 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435370222 980819542 /nfs/dbraw/zinc/81/95/42/980819542.db2.gz HZARUFNQRAYRKG-NQIIRXRSSA-N 1 0 415.497 3.608 20 30 HHEDRO C[N@H+](Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)s1)C1CCCCC1 ZINC000435447931 980868428 /nfs/dbraw/zinc/86/84/28/980868428.db2.gz RSXLNYAZFNDRHS-UHFFFAOYSA-N 1 0 403.573 3.863 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000435524939 980919171 /nfs/dbraw/zinc/91/91/71/980919171.db2.gz HJFAUBCLQMCSDR-DHIUTWEWSA-N 1 0 424.589 3.750 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000435632018 980967990 /nfs/dbraw/zinc/96/79/90/980967990.db2.gz KEUXPESCVXVNRY-OXQOHEQNSA-N 1 0 410.493 3.518 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000435737093 981009565 /nfs/dbraw/zinc/00/95/65/981009565.db2.gz DLKWRAKLBSZOIU-SJKOYZFVSA-N 1 0 404.385 3.615 20 30 HHEDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436332746 981305741 /nfs/dbraw/zinc/30/57/41/981305741.db2.gz IECRPYUJUUJJNF-OALUTQOASA-N 1 0 420.557 3.773 20 30 HHEDRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C#N)cc1N(C)C ZINC000436495040 981399918 /nfs/dbraw/zinc/39/99/18/981399918.db2.gz GVQPSAQYNCDXEJ-KRWDZBQOSA-N 1 0 406.534 3.675 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448463936 981798225 /nfs/dbraw/zinc/79/82/25/981798225.db2.gz DXXFUXXBOMAXAI-PXNSSMCTSA-N 1 0 405.464 3.715 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000437263861 981921100 /nfs/dbraw/zinc/92/11/00/981921100.db2.gz UZUPQQPSMCPANG-BONVTDFDSA-N 1 0 404.146 3.865 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460276092 982051886 /nfs/dbraw/zinc/05/18/86/982051886.db2.gz KDFGTLPCMXUKBI-XZOQPEGZSA-N 1 0 405.542 3.915 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000437417426 982058854 /nfs/dbraw/zinc/05/88/54/982058854.db2.gz ZWBFCSUOYQZHQU-WMZHIEFXSA-N 1 0 415.578 3.652 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000460341504 982113743 /nfs/dbraw/zinc/11/37/43/982113743.db2.gz BVXRBXLEGYKBEW-DTVZVWBHSA-N 1 0 410.949 3.896 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460376844 982154845 /nfs/dbraw/zinc/15/48/45/982154845.db2.gz QJADLHUCQNCRCT-UHFFFAOYSA-N 1 0 413.566 3.849 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460382245 982161059 /nfs/dbraw/zinc/16/10/59/982161059.db2.gz UNNISVXUHBZFEW-QZTJIDSGSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460386645 982165710 /nfs/dbraw/zinc/16/57/10/982165710.db2.gz IXKCBDOIQIGAGB-HOCLYGCPSA-N 1 0 421.387 3.921 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCCCC1 ZINC000460389574 982168946 /nfs/dbraw/zinc/16/89/46/982168946.db2.gz TUFABLVBPOLSTE-UHFFFAOYSA-N 1 0 408.594 3.599 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460542151 982328968 /nfs/dbraw/zinc/32/89/68/982328968.db2.gz IJJKLWXJPUOYLH-IEBWSBKVSA-N 1 0 413.566 3.705 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460545807 982332635 /nfs/dbraw/zinc/33/26/35/982332635.db2.gz SJSROKGTIANPIX-KNQAVFIVSA-N 1 0 423.561 3.821 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460562387 982347724 /nfs/dbraw/zinc/34/77/24/982347724.db2.gz SFQMVROMPKNKKN-CTNGQTDRSA-N 1 0 411.594 3.957 20 30 HHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460563489 982349156 /nfs/dbraw/zinc/34/91/56/982349156.db2.gz UMNSPDDWHMPKLU-UHFFFAOYSA-N 1 0 404.562 3.961 20 30 HHEDRO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000460568044 982352585 /nfs/dbraw/zinc/35/25/85/982352585.db2.gz RPILWEKLUAASDG-QFIPXVFZSA-N 1 0 414.642 3.583 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460580485 982364867 /nfs/dbraw/zinc/36/48/67/982364867.db2.gz WGQWQWVQLGFLAM-QUCCMNQESA-N 1 0 417.561 3.974 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460580486 982365384 /nfs/dbraw/zinc/36/53/84/982365384.db2.gz WGQWQWVQLGFLAM-UYAOXDASSA-N 1 0 417.561 3.974 20 30 HHEDRO CCOCCCn1c(C2CCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460685426 982449056 /nfs/dbraw/zinc/44/90/56/982449056.db2.gz AIKAPZQLMYUECQ-UHFFFAOYSA-N 1 0 422.577 3.556 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460786677 982539486 /nfs/dbraw/zinc/53/94/86/982539486.db2.gz LCAMFNGPVXEEGW-WFXMLNOXSA-N 1 0 411.550 3.676 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460786675 982539633 /nfs/dbraw/zinc/53/96/33/982539633.db2.gz LCAMFNGPVXEEGW-OPYAIIAOSA-N 1 0 411.550 3.676 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000438051298 982552729 /nfs/dbraw/zinc/55/27/29/982552729.db2.gz GKUYMHLAOHAMGJ-WDSOQIARSA-N 1 0 411.468 3.560 20 30 HHEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000438056302 982557736 /nfs/dbraw/zinc/55/77/36/982557736.db2.gz LWBOGQAIIGBHKE-XMMPIXPASA-N 1 0 408.546 3.571 20 30 HHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460813021 982565795 /nfs/dbraw/zinc/56/57/95/982565795.db2.gz KABJCGKSGNGPDE-OAQYLSRUSA-N 1 0 401.599 3.526 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460847461 982594471 /nfs/dbraw/zinc/59/44/71/982594471.db2.gz PXXWLGVLURYJJZ-UHFFFAOYSA-N 1 0 422.316 3.883 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000460886037 982624433 /nfs/dbraw/zinc/62/44/33/982624433.db2.gz UPHAJBIATKZDJS-HNAYVOBHSA-N 1 0 419.367 3.747 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460956267 982689482 /nfs/dbraw/zinc/68/94/82/982689482.db2.gz FEJSLZFUWHCCBY-MSOLQXFVSA-N 1 0 413.566 3.847 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000438286260 982700988 /nfs/dbraw/zinc/70/09/88/982700988.db2.gz YCBHFDGQCFCWOR-VJBWXMMDSA-N 1 0 404.514 3.626 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC000438650525 982968728 /nfs/dbraw/zinc/96/87/28/982968728.db2.gz RSWXYLIZFGVZHJ-UHFFFAOYSA-N 1 0 407.514 3.857 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000438659216 982976888 /nfs/dbraw/zinc/97/68/88/982976888.db2.gz XQOIBBSFRGUZMM-DENIHFKCSA-N 1 0 421.541 3.874 20 30 HHEDRO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438780828 983067336 /nfs/dbraw/zinc/06/73/36/983067336.db2.gz IWHVPMSUNQNOQQ-MRXNPFEDSA-N 1 0 416.294 3.685 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461424399 983087604 /nfs/dbraw/zinc/08/76/04/983087604.db2.gz GDTDTVZWSZDXDY-LSQMVHIFSA-N 1 0 417.553 3.942 20 30 HHEDRO Cc1cc(C#N)ccc1C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000438825679 983098308 /nfs/dbraw/zinc/09/83/08/983098308.db2.gz JJJCFVSYQLWYMR-UHFFFAOYSA-N 1 0 416.447 3.567 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000438825774 983098323 /nfs/dbraw/zinc/09/83/23/983098323.db2.gz WPHCPCLIWXXLHV-FQEVSTJZSA-N 1 0 412.486 3.606 20 30 HHEDRO CC(C)(C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cc(F)cc(C#N)c1 ZINC000461458971 983125634 /nfs/dbraw/zinc/12/56/34/983125634.db2.gz XKRFZEWQDBTDHM-NHCUHLMSSA-N 1 0 405.517 3.955 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(=O)OC)c1ccccc1C ZINC000438892662 983140532 /nfs/dbraw/zinc/14/05/32/983140532.db2.gz GVWRBBMVXUFMTB-FQEVSTJZSA-N 1 0 414.575 3.807 20 30 HHEDRO Cc1cc(N2CCC([NH2+]Cc3cccc(OCc4ccccc4C#N)c3)CC2)n[nH]1 ZINC000438904266 983145444 /nfs/dbraw/zinc/14/54/44/983145444.db2.gz UJFCBSVSZDJNSZ-UHFFFAOYSA-N 1 0 401.514 3.927 20 30 HHEDRO COc1cc(OC)c2ncc(C#N)c(NC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000439098181 983249181 /nfs/dbraw/zinc/24/91/81/983249181.db2.gz GSCLVFGISLWMBC-UHFFFAOYSA-N 1 0 403.486 3.595 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000439231764 983321596 /nfs/dbraw/zinc/32/15/96/983321596.db2.gz WBFADEKWFOLGHR-SFHVURJKSA-N 1 0 417.962 3.744 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([C@@H]4CCCO4)CC3)sc2C1 ZINC000439292815 983348878 /nfs/dbraw/zinc/34/88/78/983348878.db2.gz IWQSZHREUJCFES-BEFAXECRSA-N 1 0 401.576 3.964 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000439437635 983408465 /nfs/dbraw/zinc/40/84/65/983408465.db2.gz ZOTWOBRMITUPML-QZTJIDSGSA-N 1 0 416.591 3.504 20 30 HHEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000439555293 983447890 /nfs/dbraw/zinc/44/78/90/983447890.db2.gz AGFQFYHYOONEFO-IBGZPJMESA-N 1 0 409.505 3.799 20 30 HHEDRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)CCOCC1 ZINC000439576952 983457775 /nfs/dbraw/zinc/45/77/75/983457775.db2.gz YDHZDZUVOBIVAK-OAQYLSRUSA-N 1 0 405.542 3.968 20 30 HHEDRO CCCc1c(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439669745 983493657 /nfs/dbraw/zinc/49/36/57/983493657.db2.gz DOGACTWODOUECD-FQEVSTJZSA-N 1 0 406.534 3.789 20 30 HHEDRO Cc1nc(SCC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C#N)c(C)c1C ZINC000439770000 983531703 /nfs/dbraw/zinc/53/17/03/983531703.db2.gz WJWZCEZRPGNRQY-SFHVURJKSA-N 1 0 423.586 3.707 20 30 HHEDRO C[C@](C#N)(NC(=O)C[NH+]1CCC(C)(c2ccc(Br)cc2)CC1)C1CC1 ZINC000440518901 983783422 /nfs/dbraw/zinc/78/34/22/983783422.db2.gz KZZHZNZUNMYTGP-HXUWFJFHSA-N 1 0 404.352 3.611 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000440819719 983921217 /nfs/dbraw/zinc/92/12/17/983921217.db2.gz WVYLOQQAFAKIEK-GAJHUEQPSA-N 1 0 409.555 3.691 20 30 HHEDRO N#CC1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000441012735 984021953 /nfs/dbraw/zinc/02/19/53/984021953.db2.gz RRNORHOLGPYFIH-LADRWXRNSA-N 1 0 408.468 3.909 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)sc2c1CCCCC2 ZINC000441286760 984159834 /nfs/dbraw/zinc/15/98/34/984159834.db2.gz OVAOYVARRVPRQJ-IRXDYDNUSA-N 1 0 401.576 3.966 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000441332390 984190186 /nfs/dbraw/zinc/19/01/86/984190186.db2.gz JVMWRYRIXMBUBT-UNMCSNQZSA-N 1 0 421.541 3.869 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000441394117 984228131 /nfs/dbraw/zinc/22/81/31/984228131.db2.gz NYGBVQKOWSUIPX-WMZHIEFXSA-N 1 0 423.605 3.979 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000441394114 984228246 /nfs/dbraw/zinc/22/82/46/984228246.db2.gz NYGBVQKOWSUIPX-CVDCTZTESA-N 1 0 423.605 3.979 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000441405306 984234692 /nfs/dbraw/zinc/23/46/92/984234692.db2.gz AEPHUOVGEDCDOD-ROUUACIJSA-N 1 0 416.591 3.648 20 30 HHEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000441412147 984238670 /nfs/dbraw/zinc/23/86/70/984238670.db2.gz IBOKSSSTBIUMAL-YJBOKZPZSA-N 1 0 424.467 3.532 20 30 HHEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000441988921 984581755 /nfs/dbraw/zinc/58/17/55/984581755.db2.gz UXDIOVBCHZRGMC-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1C#N ZINC000442001771 984588169 /nfs/dbraw/zinc/58/81/69/984588169.db2.gz LKICTSFDOCGRRQ-GOSISDBHSA-N 1 0 404.514 3.585 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000442186047 984707427 /nfs/dbraw/zinc/70/74/27/984707427.db2.gz CLOAXMQAJOXELD-UHFFFAOYSA-N 1 0 422.407 3.719 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000442260152 984778972 /nfs/dbraw/zinc/77/89/72/984778972.db2.gz YKFPASJLLVJAKM-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)CC1 ZINC000442308139 984805298 /nfs/dbraw/zinc/80/52/98/984805298.db2.gz NWTXSJANFXUTJQ-UHFFFAOYSA-N 1 0 413.905 3.837 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1Cl ZINC000442995806 985325673 /nfs/dbraw/zinc/32/56/73/985325673.db2.gz CJFAVNKVYNFFQU-QGZVFWFLSA-N 1 0 416.953 3.592 20 30 HHEDRO Cn1cc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000443009378 985334215 /nfs/dbraw/zinc/33/42/15/985334215.db2.gz YHDJSPVWRVMPBV-UHFFFAOYSA-N 1 0 405.933 3.760 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1cccs1 ZINC000443239730 985457669 /nfs/dbraw/zinc/45/76/69/985457669.db2.gz ZHFJIOVGYOOYMH-SCLBCKFNSA-N 1 0 409.964 3.635 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2ccc(C(F)(F)F)c(C#N)n2)C[C@H](C)O1 ZINC000443511421 985683169 /nfs/dbraw/zinc/68/31/69/985683169.db2.gz SPSXZWRHRSLZKW-GASCZTMLSA-N 1 0 404.436 4.193 20 30 HHEDRO COc1cccc([C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+]2CCCC2)c1 ZINC000468225154 985922794 /nfs/dbraw/zinc/92/27/94/985922794.db2.gz RGZJTBDMSOOUAC-QFIPXVFZSA-N 1 0 416.481 3.789 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000463017288 985973569 /nfs/dbraw/zinc/97/35/69/985973569.db2.gz ZPKDCZXSOGYJRT-DVECYGJZSA-N 1 0 400.526 3.877 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000463017160 985974147 /nfs/dbraw/zinc/97/41/47/985974147.db2.gz XGLUZIJLMOCAPJ-RPWUZVMVSA-N 1 0 418.541 3.696 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443810664 986006802 /nfs/dbraw/zinc/00/68/02/986006802.db2.gz VZUDQNDKUOQKLW-KRWDZBQOSA-N 1 0 412.452 3.597 20 30 HHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N)[NH+](C)C ZINC000443845402 986048035 /nfs/dbraw/zinc/04/80/35/986048035.db2.gz SGZMMJINGTXBIM-DYESRHJHSA-N 1 0 424.570 3.747 20 30 HHEDRO Cc1cc(C[NH2+]Cc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)ccc1C#N ZINC000443992740 986193746 /nfs/dbraw/zinc/19/37/46/986193746.db2.gz XWYOFEZVGPPOAY-UHFFFAOYSA-N 1 0 416.525 3.911 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C(C)C)[C@H]2CCOC2)c1C#N ZINC000463224329 986194307 /nfs/dbraw/zinc/19/43/07/986194307.db2.gz WQRHDHPLKRKAHG-FQEVSTJZSA-N 1 0 412.509 3.602 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000463279513 986246714 /nfs/dbraw/zinc/24/67/14/986246714.db2.gz GDUNBMQSKKRHED-UHFFFAOYSA-N 1 0 404.558 3.940 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCC(Oc4ncccc4C#N)CC3)CC2)cc1 ZINC000463284317 986252041 /nfs/dbraw/zinc/25/20/41/986252041.db2.gz QMLMOSXMUFUXJG-UHFFFAOYSA-N 1 0 415.541 3.769 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000463496068 986471790 /nfs/dbraw/zinc/47/17/90/986471790.db2.gz FLAJUCBXPIGTMN-JOCHJYFZSA-N 1 0 410.514 3.836 20 30 HHEDRO Cc1ccc(-c2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)[nH]n2)cc1C ZINC000444290766 986477483 /nfs/dbraw/zinc/47/74/83/986477483.db2.gz RQNQYCHLKSMROU-UHFFFAOYSA-N 1 0 413.525 3.982 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000463506957 986482366 /nfs/dbraw/zinc/48/23/66/986482366.db2.gz MQMWGGYBOQUMLS-MSOLQXFVSA-N 1 0 401.432 3.669 20 30 HHEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468782232 986494040 /nfs/dbraw/zinc/49/40/40/986494040.db2.gz BGSXBMYHDYOEMA-INIZCTEOSA-N 1 0 401.470 3.564 20 30 HHEDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)C(=O)NC1(C#N)CCC1 ZINC000468840858 986550734 /nfs/dbraw/zinc/55/07/34/986550734.db2.gz DALQOUPEFFXXPN-AWEZNQCLSA-N 1 0 410.345 3.582 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000444388493 986562942 /nfs/dbraw/zinc/56/29/42/986562942.db2.gz KHOPYALHHNQAIO-UHFFFAOYSA-N 1 0 406.836 3.980 20 30 HHEDRO Cc1occc1C(=O)Nc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1F ZINC000444390293 986566099 /nfs/dbraw/zinc/56/60/99/986566099.db2.gz UFRRHXUMRRWJMP-UHFFFAOYSA-N 1 0 415.469 3.679 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000468948010 986651785 /nfs/dbraw/zinc/65/17/85/986651785.db2.gz JKJBMGQLFTYWRC-HXUWFJFHSA-N 1 0 416.468 3.819 20 30 HHEDRO N#CC(CC[N@H+]1CCC[C@H]1C(=O)N1CCSCC1)(c1ccccc1)c1ccccc1 ZINC000444600809 986787344 /nfs/dbraw/zinc/78/73/44/986787344.db2.gz CUOCAOXUIVZYQE-QHCPKHFHSA-N 1 0 419.594 3.926 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469170037 986893861 /nfs/dbraw/zinc/89/38/61/986893861.db2.gz ZKNLBZBGCITMTR-UHFFFAOYSA-N 1 0 410.424 3.695 20 30 HHEDRO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CCCC1(C)C ZINC000444782594 986939374 /nfs/dbraw/zinc/93/93/74/986939374.db2.gz JQFCMMXMPZAHKA-IBGZPJMESA-N 1 0 412.513 3.684 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444788049 986944062 /nfs/dbraw/zinc/94/40/62/986944062.db2.gz ZWMKCVAFARLXRQ-FQEVSTJZSA-N 1 0 412.599 3.968 20 30 HHEDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1(C)C ZINC000444794399 986949082 /nfs/dbraw/zinc/94/90/82/986949082.db2.gz JTRVLXRHWLHZDG-ILBGXUMGSA-N 1 0 424.541 3.802 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(OC)c(F)c2)CCOCC1 ZINC000444817976 986971057 /nfs/dbraw/zinc/97/10/57/986971057.db2.gz WCAXZFQDFGFROY-HXUWFJFHSA-N 1 0 415.505 3.598 20 30 HHEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000469634218 987293437 /nfs/dbraw/zinc/29/34/37/987293437.db2.gz RXBFQMMRRHSLSH-QFIPXVFZSA-N 1 0 420.557 3.699 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)C[C@H](CC#N)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000470020303 987630898 /nfs/dbraw/zinc/63/08/98/987630898.db2.gz XNDSMAMVMOSRTG-ZEQRLZLVSA-N 1 0 404.558 3.569 20 30 HHEDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000470044067 987931919 /nfs/dbraw/zinc/93/19/19/987931919.db2.gz RBMDJIFRRWHUSJ-INIZCTEOSA-N 1 0 413.905 3.533 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000470361991 988326951 /nfs/dbraw/zinc/32/69/51/988326951.db2.gz GXAFTAHVOINYRF-IBGZPJMESA-N 1 0 402.970 3.703 20 30 HHEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)C1 ZINC000464557137 988735052 /nfs/dbraw/zinc/73/50/52/988735052.db2.gz UVPFHVLTSOJTKB-HXUWFJFHSA-N 1 0 407.562 3.885 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@H+](CCCOc2ccccc2)C2CCOCC2)c1 ZINC000464576238 988752747 /nfs/dbraw/zinc/75/27/47/988752747.db2.gz DFQMDDMSZWXCAV-UHFFFAOYSA-N 1 0 407.514 3.837 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470831994 988905694 /nfs/dbraw/zinc/90/56/94/988905694.db2.gz PDKHSOLXBPHVFK-YADARESESA-N 1 0 400.526 3.931 20 30 HHEDRO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000464801739 989030132 /nfs/dbraw/zinc/03/01/32/989030132.db2.gz IRMPVWRDEJHYHZ-UHFFFAOYSA-N 1 0 411.937 3.784 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470967652 989031345 /nfs/dbraw/zinc/03/13/45/989031345.db2.gz OHXHEKWFUNWRRK-HKUYNNGSSA-N 1 0 400.592 3.541 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000470980376 989044774 /nfs/dbraw/zinc/04/47/74/989044774.db2.gz XYCICTMDOGIIGW-FOVJLYNBSA-N 1 0 400.526 3.752 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000470993554 989058875 /nfs/dbraw/zinc/05/88/75/989058875.db2.gz OADVQBSAHCFGKO-AZGAKELHSA-N 1 0 412.537 3.755 20 30 HHEDRO COC(=O)[C@H](C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000464871809 989131460 /nfs/dbraw/zinc/13/14/60/989131460.db2.gz DPSQLUROBWHSTG-XXBNENTESA-N 1 0 407.514 3.690 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2ccc(F)cc2)C2CCCC2)cc1 ZINC000464896223 989166103 /nfs/dbraw/zinc/16/61/03/989166103.db2.gz OCKSJRCKFGIOOR-UHFFFAOYSA-N 1 0 400.519 3.958 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471087349 989183347 /nfs/dbraw/zinc/18/33/47/989183347.db2.gz SYICMCNEAODACS-WOIUINJBSA-N 1 0 424.907 3.842 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000464932579 989217384 /nfs/dbraw/zinc/21/73/84/989217384.db2.gz DHQSXYSKVRYQRQ-UHFFFAOYSA-N 1 0 424.570 3.581 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000464968188 989268849 /nfs/dbraw/zinc/26/88/49/989268849.db2.gz YBOUHWJNCSLABW-UHFFFAOYSA-N 1 0 420.557 3.757 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471255570 989401899 /nfs/dbraw/zinc/40/18/99/989401899.db2.gz XDUGAEPRQJLVBL-OYRHEFFESA-N 1 0 404.514 3.941 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000465269223 989625297 /nfs/dbraw/zinc/62/52/97/989625297.db2.gz NKUILENYHTVJJA-UHFFFAOYSA-N 1 0 422.529 3.709 20 30 HHEDRO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471573054 989774560 /nfs/dbraw/zinc/77/45/60/989774560.db2.gz JDGLDIUQAFTFLQ-QFBILLFUSA-N 1 0 404.436 3.728 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000465576701 989945975 /nfs/dbraw/zinc/94/59/75/989945975.db2.gz RRSWVYOSUHQPOR-LJQANCHMSA-N 1 0 406.530 3.811 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000471837613 990013942 /nfs/dbraw/zinc/01/39/42/990013942.db2.gz KFLMAHYJPKUTCZ-UHFFFAOYSA-N 1 0 407.558 3.931 20 30 HHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCSCc1ccccc1C#N ZINC000465634497 990021070 /nfs/dbraw/zinc/02/10/70/990021070.db2.gz QHPWUJPWRROOBX-NRFANRHFSA-N 1 0 422.598 3.955 20 30 HHEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000465672007 990057063 /nfs/dbraw/zinc/05/70/63/990057063.db2.gz ZDRFBCBFIJMTSW-XZOQPEGZSA-N 1 0 403.530 3.527 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471965602 990131311 /nfs/dbraw/zinc/13/13/11/990131311.db2.gz FCLJWZUBKSUDEP-HXUWFJFHSA-N 1 0 415.459 3.878 20 30 HHEDRO N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000471969741 990135198 /nfs/dbraw/zinc/13/51/98/990135198.db2.gz UQLPWBCUVJTWKA-DEOSSOPVSA-N 1 0 400.526 3.933 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465855633 990966796 /nfs/dbraw/zinc/96/67/96/990966796.db2.gz BBFNCVRSTQJCLM-OAHLLOKOSA-N 1 0 410.356 3.556 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC)CCOc2ccc(Br)cc2)CC1 ZINC000465869241 990981862 /nfs/dbraw/zinc/98/18/62/990981862.db2.gz ZFJDDIHPYYETHO-UHFFFAOYSA-N 1 0 424.383 3.900 20 30 HHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000465897655 991025263 /nfs/dbraw/zinc/02/52/63/991025263.db2.gz WJPZYUXQQNZEHU-DNQXCXABSA-N 1 0 420.557 3.998 20 30 HHEDRO COc1ccc([C@@H](C)CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000466042784 991213092 /nfs/dbraw/zinc/21/30/92/991213092.db2.gz TVEHPPXKUIWAIX-IBGZPJMESA-N 1 0 408.546 3.834 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[C@H]1c1cccs1 ZINC000466072584 991245717 /nfs/dbraw/zinc/24/57/17/991245717.db2.gz BRHUPRCCBVSNKM-UGKGYDQZSA-N 1 0 423.586 3.534 20 30 HHEDRO C[C@H]1C[C@@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000466107802 991285478 /nfs/dbraw/zinc/28/54/78/991285478.db2.gz OKJZAXIWSZHXIQ-UGKGYDQZSA-N 1 0 406.530 3.632 20 30 HHEDRO C[C@@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)Oc1cccc(Cl)c1 ZINC000466174563 991366731 /nfs/dbraw/zinc/36/67/31/991366731.db2.gz BSQFSPXWDFUTKW-KRWDZBQOSA-N 1 0 412.921 3.506 20 30 HHEDRO CCO[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C12CCCC2 ZINC000466435277 991723393 /nfs/dbraw/zinc/72/33/93/991723393.db2.gz XHQDNPGILWMOHD-FCHUYYIVSA-N 1 0 410.562 3.513 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)CCC2CCOCC2)c1C#N ZINC000466490655 991779928 /nfs/dbraw/zinc/77/99/28/991779928.db2.gz MYRGHMFELTWEDR-UHFFFAOYSA-N 1 0 412.534 3.695 20 30 HHEDRO CC[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466623933 991939260 /nfs/dbraw/zinc/93/92/60/991939260.db2.gz YSMLKDVPFZQRJG-HXUWFJFHSA-N 1 0 407.518 3.892 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000466808432 992117660 /nfs/dbraw/zinc/11/76/60/992117660.db2.gz DRNGKVGCQKNHSW-UHFFFAOYSA-N 1 0 403.448 3.660 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C[C@H]1CCCOC1 ZINC000467151739 992468076 /nfs/dbraw/zinc/46/80/76/992468076.db2.gz LVMVARQPFIIYMZ-GOSISDBHSA-N 1 0 406.530 3.525 20 30 HHEDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000467551585 992831486 /nfs/dbraw/zinc/83/14/86/992831486.db2.gz BQAZJFUYJMCNLC-GBXCKJPGSA-N 1 0 406.530 3.903 20 30 HHEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000467558570 992839593 /nfs/dbraw/zinc/83/95/93/992839593.db2.gz CCTNYEQINJTBAX-GBXCKJPGSA-N 1 0 421.545 3.803 20 30 HHEDRO Cc1nn(C)c(N2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)c1C#N ZINC000472149850 993204234 /nfs/dbraw/zinc/20/42/34/993204234.db2.gz DAGBUYHLDWHBLK-HWKANZROSA-N 1 0 414.351 3.588 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCC[C@H]([NH+]3CCCC3)C2)c1C#N ZINC000472243976 993271788 /nfs/dbraw/zinc/27/17/88/993271788.db2.gz VPGSNTCHQGMYQB-FQEVSTJZSA-N 1 0 423.561 3.507 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CC[C@@H]([NH+]3CCCCC3)C2)c1C#N ZINC000472251246 993278049 /nfs/dbraw/zinc/27/80/49/993278049.db2.gz XMUIIQOMUJKDBJ-HXUWFJFHSA-N 1 0 423.561 3.507 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472503404 993501996 /nfs/dbraw/zinc/50/19/96/993501996.db2.gz RVQBVEVQJTWKJR-XMZFGDCGSA-N 1 0 421.589 3.619 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)c1C#N ZINC000472611238 993560651 /nfs/dbraw/zinc/56/06/51/993560651.db2.gz KAVSHLBYXMOEER-OAHLLOKOSA-N 1 0 412.509 3.669 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1)CC(C)C ZINC000480736379 993602358 /nfs/dbraw/zinc/60/23/58/993602358.db2.gz NBEIKJUCCLTOQZ-UHFFFAOYSA-N 1 0 409.571 3.607 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000480756747 993622863 /nfs/dbraw/zinc/62/28/63/993622863.db2.gz PZGZSHDRRMANME-UHFFFAOYSA-N 1 0 408.546 3.625 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480839378 993713767 /nfs/dbraw/zinc/71/37/67/993713767.db2.gz DVUPEJXHYAEYMD-YADHBBJMSA-N 1 0 409.555 3.542 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000480894872 993753253 /nfs/dbraw/zinc/75/32/53/993753253.db2.gz GPVOOAZTCSAYOY-UGSOOPFHSA-N 1 0 411.449 3.547 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000480894869 993753703 /nfs/dbraw/zinc/75/37/03/993753703.db2.gz GPVOOAZTCSAYOY-ACJLOTCBSA-N 1 0 411.449 3.547 20 30 HHEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893685 993820041 /nfs/dbraw/zinc/82/00/41/993820041.db2.gz CHFFBRKUNMDNTK-UXHICEINSA-N 1 0 419.573 3.611 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCSC4(CCOCC4)C3)sc2C1 ZINC000473178123 994044722 /nfs/dbraw/zinc/04/47/22/994044722.db2.gz ZGDYFHBMWQIBPP-HNNXBMFYSA-N 1 0 419.616 3.671 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000473240266 994091670 /nfs/dbraw/zinc/09/16/70/994091670.db2.gz WNJAXBZMUVPNBF-QGZVFWFLSA-N 1 0 416.591 3.600 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1C#N ZINC000481408387 994242963 /nfs/dbraw/zinc/24/29/63/994242963.db2.gz MWPTVNXWXDWIJH-DYESRHJHSA-N 1 0 412.509 3.526 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC000481481163 994315359 /nfs/dbraw/zinc/31/53/59/994315359.db2.gz NYHUFSGFHKWBGM-UHFFFAOYSA-N 1 0 421.541 3.753 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473497005 994342945 /nfs/dbraw/zinc/34/29/45/994342945.db2.gz PTVZGUXBDRCFFU-NLFFAJNJSA-N 1 0 403.526 3.840 20 30 HHEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000481584671 994427133 /nfs/dbraw/zinc/42/71/33/994427133.db2.gz GCDAPDJYTXFXKS-IBGZPJMESA-N 1 0 407.848 3.953 20 30 HHEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000481771435 994622138 /nfs/dbraw/zinc/62/21/38/994622138.db2.gz VVSTUNHUFWLRFJ-QUCCMNQESA-N 1 0 419.294 3.940 20 30 HHEDRO COc1ccc([C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)N2CCOCC2)cc1 ZINC000481911864 994784006 /nfs/dbraw/zinc/78/40/06/994784006.db2.gz STYSYYNMXMLZSA-JWQCQUIFSA-N 1 0 405.542 3.997 20 30 HHEDRO C[NH+](C)C1CCN(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000481992043 994892686 /nfs/dbraw/zinc/89/26/86/994892686.db2.gz NCMXGBSRNCALQN-UHFFFAOYSA-N 1 0 422.598 3.606 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(NCc3cc(C#N)cs3)cc2Br)CC1 ZINC000474019708 995010312 /nfs/dbraw/zinc/01/03/12/995010312.db2.gz CIQCBWVEKWMTEN-UHFFFAOYSA-N 1 0 405.365 3.742 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(O)(Cc2cccc(C)c2)CC1)C(C)C ZINC000474053345 995042674 /nfs/dbraw/zinc/04/26/74/995042674.db2.gz CYPWUWVSQIQKKN-QHCPKHFHSA-N 1 0 413.606 3.773 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000482156775 995111263 /nfs/dbraw/zinc/11/12/63/995111263.db2.gz YWYMIFWESBMZQM-UHFFFAOYSA-N 1 0 401.576 3.584 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000474156286 995139871 /nfs/dbraw/zinc/13/98/71/995139871.db2.gz DULDPBMZGGLIKC-PKTZIBPZSA-N 1 0 401.510 3.693 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC[N@H+]2CCCC[C@H]2CC)nnc1-c1ccco1 ZINC000482197606 995175708 /nfs/dbraw/zinc/17/57/08/995175708.db2.gz ITCSKVLETIVBNA-QGZVFWFLSA-N 1 0 417.579 3.587 20 30 HHEDRO C=C(C)C[NH+]1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC000474348755 995328615 /nfs/dbraw/zinc/32/86/15/995328615.db2.gz IKUNJOWHCWYIEF-UHFFFAOYSA-N 1 0 403.162 3.737 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474578244 995539601 /nfs/dbraw/zinc/53/96/01/995539601.db2.gz LEQZPUBEUNJWPC-UGSOOPFHSA-N 1 0 411.449 3.547 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000482558345 995564891 /nfs/dbraw/zinc/56/48/91/995564891.db2.gz UTIPDRIBUDGULX-HDICACEKSA-N 1 0 418.541 3.600 20 30 HHEDRO CCCN(CC)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000482654113 995647625 /nfs/dbraw/zinc/64/76/25/995647625.db2.gz CEFPYEFVPYROKE-UHFFFAOYSA-N 1 0 405.546 3.606 20 30 HHEDRO C=C(C)COCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474805423 995717463 /nfs/dbraw/zinc/71/74/63/995717463.db2.gz TYBVFVCHEUZHTO-MJGOQNOKSA-N 1 0 413.484 3.980 20 30 HHEDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000474868647 995764288 /nfs/dbraw/zinc/76/42/88/995764288.db2.gz KTPDCDPJLJRYBW-UHFFFAOYSA-N 1 0 404.558 3.555 20 30 HHEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(C(=O)Nc4cccc(C#N)c4)c3)CC[C@H]21 ZINC000482974572 995893494 /nfs/dbraw/zinc/89/34/94/995893494.db2.gz BFYNBOGDRSJGTE-DENIHFKCSA-N 1 0 417.513 3.759 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](CC(N)=O)c1ccccc1 ZINC000483105120 995977249 /nfs/dbraw/zinc/97/72/49/995977249.db2.gz XVOKAFGGSBXTAT-LJQANCHMSA-N 1 0 424.570 3.766 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)CO)c1C#N ZINC000483132876 995994183 /nfs/dbraw/zinc/99/41/83/995994183.db2.gz GXSVEBYXOGEXSB-INIZCTEOSA-N 1 0 400.567 3.903 20 30 HHEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000475286066 996045743 /nfs/dbraw/zinc/04/57/43/996045743.db2.gz OQHHCOIWTYUTJT-UHFFFAOYSA-N 1 0 424.541 3.511 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnn(C)c1C#N ZINC000475315786 996065224 /nfs/dbraw/zinc/06/52/24/996065224.db2.gz VFKYCEKKZDLNNU-UHFFFAOYSA-N 1 0 408.333 3.583 20 30 HHEDRO CCN1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H]1c1ncc[nH]1 ZINC000475348977 996082905 /nfs/dbraw/zinc/08/29/05/996082905.db2.gz GSPAKYHRJVFJEZ-QHCPKHFHSA-N 1 0 401.514 3.739 20 30 HHEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483386938 996143661 /nfs/dbraw/zinc/14/36/61/996143661.db2.gz MZMFXYKMTNIHOS-UHFFFAOYSA-N 1 0 414.513 3.688 20 30 HHEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000475450675 996148741 /nfs/dbraw/zinc/14/87/41/996148741.db2.gz XFCVBBYJYCNVJA-FQEVSTJZSA-N 1 0 420.513 3.622 20 30 HHEDRO CN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000483477485 996205603 /nfs/dbraw/zinc/20/56/03/996205603.db2.gz REDJIPHRVMCNOF-GOTSBHOMSA-N 1 0 408.590 3.658 20 30 HHEDRO Cn1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1C#N ZINC000475620602 996254008 /nfs/dbraw/zinc/25/40/08/996254008.db2.gz CGXPBJQDCWIWTQ-HNNXBMFYSA-N 1 0 402.214 3.501 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475736681 996336388 /nfs/dbraw/zinc/33/63/88/996336388.db2.gz BJXPTJLQLFLYHV-URXFXBBRSA-N 1 0 408.590 3.706 20 30 HHEDRO N#Cc1ccsc1NC(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475743152 996342211 /nfs/dbraw/zinc/34/22/11/996342211.db2.gz DXFZBVDTTBTDGO-QHCPKHFHSA-N 1 0 408.571 3.936 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000475785642 996370305 /nfs/dbraw/zinc/37/03/05/996370305.db2.gz JVGFLNAVDVOPHI-UHFFFAOYSA-N 1 0 403.592 3.634 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000476173296 996654193 /nfs/dbraw/zinc/65/41/93/996654193.db2.gz UUHRVFQRQXYILL-UHFFFAOYSA-N 1 0 408.955 3.635 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476426837 996895470 /nfs/dbraw/zinc/89/54/70/996895470.db2.gz GPGSXFPOLTYDCA-HOTGVXAUSA-N 1 0 417.962 3.647 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1C#N ZINC000484613690 996946316 /nfs/dbraw/zinc/94/63/16/996946316.db2.gz BBEBGTTVPARGTN-VXKWHMMOSA-N 1 0 416.529 3.874 20 30 HHEDRO CS[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1[NH+]1CCCC1 ZINC000484616790 996949619 /nfs/dbraw/zinc/94/96/19/996949619.db2.gz NEDZNAZOGGMNNQ-IMFGXOCKSA-N 1 0 418.632 3.531 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000484619648 996953168 /nfs/dbraw/zinc/95/31/68/996953168.db2.gz MCVPUYAVRVZXFH-FDFHNCONSA-N 1 0 422.598 3.773 20 30 HHEDRO C[N@H+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000476709678 997251392 /nfs/dbraw/zinc/25/13/92/997251392.db2.gz QPJACJVDZNEJNF-UHFFFAOYSA-N 1 0 406.530 3.679 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Br ZINC000485231072 997607776 /nfs/dbraw/zinc/60/77/76/997607776.db2.gz NSJWLOIJICUTDP-GOSISDBHSA-N 1 0 414.303 3.615 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(OCC(F)(F)F)cc3)C2=O)cc1 ZINC000485281202 997677326 /nfs/dbraw/zinc/67/73/26/997677326.db2.gz BTAAKTQSQWQLKY-IBGZPJMESA-N 1 0 403.404 3.785 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000477109986 997762988 /nfs/dbraw/zinc/76/29/88/997762988.db2.gz MHUBKYQVRKUKRH-INIZCTEOSA-N 1 0 409.983 3.877 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477138385 997795108 /nfs/dbraw/zinc/79/51/08/997795108.db2.gz WSSPIRLTAIHDSI-HSZRJFAPSA-N 1 0 424.520 3.520 20 30 HHEDRO C[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000485412413 997844963 /nfs/dbraw/zinc/84/49/63/997844963.db2.gz ZLOAUQCODRVWBU-ZFJSRUIDSA-N 1 0 402.542 3.696 20 30 HHEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000485419773 997854234 /nfs/dbraw/zinc/85/42/34/997854234.db2.gz GDAFEPPUNBZAEO-MRXNPFEDSA-N 1 0 416.576 3.508 20 30 HHEDRO C=C(C)[C@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1 ZINC000477190979 997860982 /nfs/dbraw/zinc/86/09/82/997860982.db2.gz JEHYGWNZQGUEOR-UGKGYDQZSA-N 1 0 415.484 3.648 20 30 HHEDRO C=CCSc1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000485462514 997906888 /nfs/dbraw/zinc/90/68/88/997906888.db2.gz IBROZZDFLYLDOI-UHFFFAOYSA-N 1 0 409.555 3.914 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000477248872 997923495 /nfs/dbraw/zinc/92/34/95/997923495.db2.gz FUGLYUOZYFXWBL-UHFFFAOYSA-N 1 0 415.459 3.629 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000477379877 998066552 /nfs/dbraw/zinc/06/65/52/998066552.db2.gz LGOFIIMQZUJDIV-GOSISDBHSA-N 1 0 405.498 3.581 20 30 HHEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000485692732 998152845 /nfs/dbraw/zinc/15/28/45/998152845.db2.gz LXAINKNAYOYLIG-GOSISDBHSA-N 1 0 400.544 3.984 20 30 HHEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1Oc1ccccc1 ZINC000477492897 998213879 /nfs/dbraw/zinc/21/38/79/998213879.db2.gz KLAKXQWSZCTQAA-WMTXJRDZSA-N 1 0 402.498 3.673 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485834593 998300515 /nfs/dbraw/zinc/30/05/15/998300515.db2.gz WZSSUJJIIRXVQI-SFHVURJKSA-N 1 0 404.283 3.817 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000485888236 998342398 /nfs/dbraw/zinc/34/23/98/998342398.db2.gz ILAWFXCVLRUUMA-WWPVKYPJSA-N 1 0 423.601 3.927 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000485888229 998342678 /nfs/dbraw/zinc/34/26/78/998342678.db2.gz ILAWFXCVLRUUMA-PMOQBDJRSA-N 1 0 423.601 3.927 20 30 HHEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nc2c(cc1C#N)CCCC2(C)C ZINC000486007674 998451106 /nfs/dbraw/zinc/45/11/06/998451106.db2.gz PPNTUWMYXIQKOH-GHTZIAJQSA-N 1 0 406.578 3.820 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000477861909 998613094 /nfs/dbraw/zinc/61/30/94/998613094.db2.gz OMBUJBBQQXWRIA-HXUWFJFHSA-N 1 0 401.432 3.631 20 30 HHEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000477861908 998613269 /nfs/dbraw/zinc/61/32/69/998613269.db2.gz OMBUJBBQQXWRIA-FQEVSTJZSA-N 1 0 401.432 3.631 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000478310315 998879175 /nfs/dbraw/zinc/87/91/75/998879175.db2.gz FUWSSRMHQUTAGP-QHCPKHFHSA-N 1 0 421.545 3.526 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478344331 998904050 /nfs/dbraw/zinc/90/40/50/998904050.db2.gz PBPCYNZRZJQMCD-IBGZPJMESA-N 1 0 413.610 3.849 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCC[NH+]1CCCC1 ZINC000486865776 998980807 /nfs/dbraw/zinc/98/08/07/998980807.db2.gz BOINJKFTIFARSW-UHFFFAOYSA-N 1 0 412.559 3.851 20 30 HHEDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccccc2Oc2ccccc2C#N)ccn1 ZINC000478665826 999078117 /nfs/dbraw/zinc/07/81/17/999078117.db2.gz ZBPRUIZDWSVMEA-UHFFFAOYSA-N 1 0 416.481 3.616 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000487267391 999118252 /nfs/dbraw/zinc/11/82/52/999118252.db2.gz KKOKKXUACDZSAD-DENIHFKCSA-N 1 0 408.542 3.829 20 30 HHEDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1C(C)(C)C#N ZINC000487425313 999172214 /nfs/dbraw/zinc/17/22/14/999172214.db2.gz GCYLBNNKDBKDFW-UHFFFAOYSA-N 1 0 400.544 3.792 20 30 HHEDRO C=CCN(CCOC)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000478854942 999177203 /nfs/dbraw/zinc/17/72/03/999177203.db2.gz LOBUGJQGVLHPME-IEBWSBKVSA-N 1 0 413.484 3.932 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000478954656 999220554 /nfs/dbraw/zinc/22/05/54/999220554.db2.gz HNNDEMJIGKKVFZ-INIZCTEOSA-N 1 0 416.953 3.653 20 30 HHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC000487889902 999305732 /nfs/dbraw/zinc/30/57/32/999305732.db2.gz APPUCJZLLTVHNK-SFHVURJKSA-N 1 0 417.307 3.754 20 30 HHEDRO Cc1nc2c(cnn2C(C)C)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479210520 999327245 /nfs/dbraw/zinc/32/72/45/999327245.db2.gz DBDHDHVZXXLLKH-UHFFFAOYSA-N 1 0 416.529 3.609 20 30 HHEDRO N#CC1(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC[NH+](Cc2ccccc2)CC1 ZINC000479212901 999328118 /nfs/dbraw/zinc/32/81/18/999328118.db2.gz IEIMVWIXWVCHLX-UHFFFAOYSA-N 1 0 407.901 3.790 20 30 HHEDRO C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479213746 999328641 /nfs/dbraw/zinc/32/86/41/999328641.db2.gz JHKBUDWQFGQRIR-INIZCTEOSA-N 1 0 415.896 3.921 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCC[C@H]1C ZINC000487991881 999339630 /nfs/dbraw/zinc/33/96/30/999339630.db2.gz UFDJJQRZGMPJQR-IERDGZPVSA-N 1 0 412.534 3.693 20 30 HHEDRO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479240580 999340810 /nfs/dbraw/zinc/34/08/10/999340810.db2.gz HFKRGRFVQPXFDO-AVRDEDQJSA-N 1 0 416.525 3.569 20 30 HHEDRO CSc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000479241553 999341155 /nfs/dbraw/zinc/34/11/55/999341155.db2.gz JGNPDLYZCCBTSO-UHFFFAOYSA-N 1 0 410.499 3.605 20 30 HHEDRO N#CC1(NC(=O)c2ccc(N3CCCC3)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479243022 999342280 /nfs/dbraw/zinc/34/22/80/999342280.db2.gz LTMHWFFXLYAKFR-UHFFFAOYSA-N 1 0 406.505 3.714 20 30 HHEDRO Cc1nc(-c2ccccc2)ncc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479346152 999396470 /nfs/dbraw/zinc/39/64/70/999396470.db2.gz PITNPOACQWCXOS-UHFFFAOYSA-N 1 0 411.509 3.740 20 30 HHEDRO C=CCC[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000488364116 999458202 /nfs/dbraw/zinc/45/82/02/999458202.db2.gz GXODVOGKIHSCMD-RPWUZVMVSA-N 1 0 419.569 3.750 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)Cc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000488401005 999475594 /nfs/dbraw/zinc/47/55/94/999475594.db2.gz FQWPQDJIYUQYLS-XZOQPEGZSA-N 1 0 404.514 3.686 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)N(C)Cc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000488401000 999475642 /nfs/dbraw/zinc/47/56/42/999475642.db2.gz FQWPQDJIYUQYLS-PKTZIBPZSA-N 1 0 404.514 3.686 20 30 HHEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466082 999496190 /nfs/dbraw/zinc/49/61/90/999496190.db2.gz PCJRELOWFCUXAL-MBSDFSHPSA-N 1 0 418.541 3.789 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC4(CCCCC4)O3)CC2)cc1 ZINC000479622405 999505589 /nfs/dbraw/zinc/50/55/89/999505589.db2.gz ULZGNKRBZJEYEP-JOCHJYFZSA-N 1 0 410.562 3.657 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000488503074 999510211 /nfs/dbraw/zinc/51/02/11/999510211.db2.gz UWYZVVKSHZXWJW-KBXCAEBGSA-N 1 0 415.440 3.620 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(Cc3ccccc3Br)CC2)CC1 ZINC000488845003 999625498 /nfs/dbraw/zinc/62/54/98/999625498.db2.gz PIJVNBZGFGFZRF-UHFFFAOYSA-N 1 0 406.368 3.864 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488875090 999633732 /nfs/dbraw/zinc/63/37/32/999633732.db2.gz VVPRFUKXPXQVCU-UHFFFAOYSA-N 1 0 410.562 3.924 20 30 HHEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000488880687 999635432 /nfs/dbraw/zinc/63/54/32/999635432.db2.gz NYVGBLUCPLJZGN-NRFANRHFSA-N 1 0 421.566 3.645 20 30 HHEDRO CCOc1c(OC)cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000479928060 999651976 /nfs/dbraw/zinc/65/19/76/999651976.db2.gz RHAZSUDCVSPPAJ-UHFFFAOYSA-N 1 0 406.486 3.664 20 30 HHEDRO Cn1cc(C[NH2+]CCOc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000480010987 999684836 /nfs/dbraw/zinc/68/48/36/999684836.db2.gz CIKGNXQJSVJFBD-UHFFFAOYSA-N 1 0 411.303 3.890 20 30 HHEDRO COc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000480026629 999691987 /nfs/dbraw/zinc/69/19/87/999691987.db2.gz QYFZVOHEWUFRRS-DEOSSOPVSA-N 1 0 415.541 3.894 20 30 HHEDRO C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480296774 999765120 /nfs/dbraw/zinc/76/51/20/999765120.db2.gz BKKSEOSHFOQIRC-BTYIYWSLSA-N 1 0 406.465 3.696 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480297317 999765303 /nfs/dbraw/zinc/76/53/03/999765303.db2.gz UGMXUKBMWHFYSI-VFNWGFHPSA-N 1 0 406.465 3.696 20 30 HHEDRO C=CCn1c(SCC(=O)NC2CC[NH+](C(C)C)CC2)nnc1-c1ccc(C)cc1 ZINC000489647344 999809621 /nfs/dbraw/zinc/80/96/21/999809621.db2.gz ZQNUZIIAWDVGQA-UHFFFAOYSA-N 1 0 413.591 3.521 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C)C(C)C ZINC000480541401 999822031 /nfs/dbraw/zinc/82/20/31/999822031.db2.gz LKYBHJOTRZTMRB-QUCCMNQESA-N 1 0 414.598 3.721 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000489772072 999835242 /nfs/dbraw/zinc/83/52/42/999835242.db2.gz DJBSXMVVLIKJAA-UHFFFAOYSA-N 1 0 406.530 3.766 20 30 HHEDRO CC1CC[NH+](Cc2cccc(CNC(=O)C(=O)Nc3ccc(C#N)cc3Cl)c2)CC1 ZINC000490472661 999962992 /nfs/dbraw/zinc/96/29/92/999962992.db2.gz SUZMAYQMOWOLIJ-UHFFFAOYSA-N 1 0 424.932 3.698 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+]2CCCC2)cc1 ZINC000490569841 999978847 /nfs/dbraw/zinc/97/88/47/999978847.db2.gz PTKBTVHZYVUZGB-QFIPXVFZSA-N 1 0 418.541 3.688 20 30 HHEDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491229061 1000056935 /nfs/dbraw/zinc/05/69/35/1000056935.db2.gz TYEJOSUCTURJMF-UHFFFAOYSA-N 1 0 408.477 3.625 20 30 HHEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000492757434 1000142966 /nfs/dbraw/zinc/14/29/66/1000142966.db2.gz QQCBFOZMYDLZSW-VGSWGCGISA-N 1 0 402.498 3.531 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1ccc(C#N)cc1 ZINC000493579040 1000180517 /nfs/dbraw/zinc/18/05/17/1000180517.db2.gz ZNBACWRFBFTTKZ-UHFFFAOYSA-N 1 0 400.526 3.923 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC000504552810 1000265915 /nfs/dbraw/zinc/26/59/15/1000265915.db2.gz LTKLZNHSCVEICN-UHFFFAOYSA-N 1 0 420.532 3.695 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 ZINC000504555412 1000267327 /nfs/dbraw/zinc/26/73/27/1000267327.db2.gz YZZZBXCVYJYJIO-UHFFFAOYSA-N 1 0 424.520 3.685 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1C#N ZINC000494050359 1000283628 /nfs/dbraw/zinc/28/36/28/1000283628.db2.gz QIDGRWLCLCIGCK-MGPUTAFESA-N 1 0 406.555 3.945 20 30 HHEDRO CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494086091 1000301988 /nfs/dbraw/zinc/30/19/88/1000301988.db2.gz AQEATIQZCTWIHI-UHFFFAOYSA-N 1 0 412.578 3.826 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(F)cc1Cl ZINC000494168143 1000338898 /nfs/dbraw/zinc/33/88/98/1000338898.db2.gz GIQMIAQVAKKHGW-UHFFFAOYSA-N 1 0 403.885 3.710 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000504740206 1000349368 /nfs/dbraw/zinc/34/93/68/1000349368.db2.gz FKCMSKYFGHMIPL-UHFFFAOYSA-N 1 0 403.526 3.840 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000494468414 1000508405 /nfs/dbraw/zinc/50/84/05/1000508405.db2.gz BOQBGQBLYFGNOJ-QHAWAJNXSA-N 1 0 413.880 3.966 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000494468410 1000508417 /nfs/dbraw/zinc/50/84/17/1000508417.db2.gz BOQBGQBLYFGNOJ-HKBOAZHASA-N 1 0 413.880 3.966 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494470291 1000509632 /nfs/dbraw/zinc/50/96/32/1000509632.db2.gz KPTXEIYVEPETHC-ZKWAXGPOSA-N 1 0 405.832 3.937 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494586307 1000565584 /nfs/dbraw/zinc/56/55/84/1000565584.db2.gz YVBRPEWYMMZAET-JWQCQUIFSA-N 1 0 417.553 3.803 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCCC1 ZINC000505141255 1000573026 /nfs/dbraw/zinc/57/30/26/1000573026.db2.gz GQVGNCDTTYUROV-OAQYLSRUSA-N 1 0 409.505 3.937 20 30 HHEDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000494626519 1000578940 /nfs/dbraw/zinc/57/89/40/1000578940.db2.gz QIPDNKJDYXZJDU-CZUORRHYSA-N 1 0 403.573 3.909 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000494776687 1000649119 /nfs/dbraw/zinc/64/91/19/1000649119.db2.gz DRHUNWVMYQMDGO-UHFFFAOYSA-N 1 0 419.481 3.640 20 30 HHEDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494996191 1000769178 /nfs/dbraw/zinc/76/91/78/1000769178.db2.gz KZXAPTXYDGTLKV-RXVVDRJESA-N 1 0 412.578 3.867 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505449802 1000781508 /nfs/dbraw/zinc/78/15/08/1000781508.db2.gz USLBHRNPUIXBDU-UHFFFAOYSA-N 1 0 423.489 3.971 20 30 HHEDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000495055944 1000803157 /nfs/dbraw/zinc/80/31/57/1000803157.db2.gz ASRFHCJQCQNGBT-GUDVDZBRSA-N 1 0 412.578 3.867 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000505718123 1000991439 /nfs/dbraw/zinc/99/14/39/1000991439.db2.gz ANBIITOKSDODKB-SFHVURJKSA-N 1 0 420.513 3.779 20 30 HHEDRO CC(C)C(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000505802080 1001033700 /nfs/dbraw/zinc/03/37/00/1001033700.db2.gz NKSUBNQBQHEFFA-UHFFFAOYSA-N 1 0 407.518 3.748 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000505818058 1001041927 /nfs/dbraw/zinc/04/19/27/1001041927.db2.gz HBCQXXDCPQSNLF-MRJFECKCSA-N 1 0 420.582 3.635 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4ccnn4C)C3)sc2C1 ZINC000505848810 1001059162 /nfs/dbraw/zinc/05/91/62/1001059162.db2.gz ZTYFLCASZGDHHS-HOTGVXAUSA-N 1 0 411.575 3.686 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C(C)C ZINC000495965750 1001103441 /nfs/dbraw/zinc/10/34/41/1001103441.db2.gz MTNSZFUIGIUBSG-RBUKOAKNSA-N 1 0 403.592 3.558 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)C(C)C ZINC000495965747 1001103501 /nfs/dbraw/zinc/10/35/01/1001103501.db2.gz MTNSZFUIGIUBSG-OALUTQOASA-N 1 0 403.592 3.558 20 30 HHEDRO N#C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000505934473 1001111664 /nfs/dbraw/zinc/11/16/64/1001111664.db2.gz ZXXJKDFSMZPSEZ-QUCCMNQESA-N 1 0 405.395 3.961 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCOc3cccc(Cl)c3)CC2)cc1 ZINC000505962300 1001130118 /nfs/dbraw/zinc/13/01/18/1001130118.db2.gz LACFCMCEUQLLTJ-UHFFFAOYSA-N 1 0 412.921 3.508 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000506008548 1001158884 /nfs/dbraw/zinc/15/88/84/1001158884.db2.gz RGPXNZIOUZARCW-HNNXBMFYSA-N 1 0 403.889 3.648 20 30 HHEDRO C[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 ZINC000496367319 1001167533 /nfs/dbraw/zinc/16/75/33/1001167533.db2.gz XEIKAVYSUQDAMN-UHFFFAOYSA-N 1 0 423.464 3.840 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)[NH+]2CCCC2)o1 ZINC000506176367 1001260942 /nfs/dbraw/zinc/26/09/42/1001260942.db2.gz XQPLXTPLLCPOMW-NRFANRHFSA-N 1 0 403.486 3.521 20 30 HHEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000506175614 1001261185 /nfs/dbraw/zinc/26/11/85/1001261185.db2.gz UGLRHWTVVHGYCF-SFHVURJKSA-N 1 0 421.541 3.866 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](c2ccccc2)C1 ZINC000497402451 1001340695 /nfs/dbraw/zinc/34/06/95/1001340695.db2.gz CQJPTXFSIVQSHG-ZEQRLZLVSA-N 1 0 411.505 3.965 20 30 HHEDRO C[N@@H+]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H](c2ccccc2)C1 ZINC000497418948 1001352704 /nfs/dbraw/zinc/35/27/04/1001352704.db2.gz SKINSXWCSIATSY-DQEYMECFSA-N 1 0 411.505 3.965 20 30 HHEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)C(N)=O)cc1 ZINC000506624538 1001475224 /nfs/dbraw/zinc/47/52/24/1001475224.db2.gz PUYXJNUWDAAURO-INIZCTEOSA-N 1 0 404.333 3.620 20 30 HHEDRO C[NH+](C)CCOc1cc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)ccn1 ZINC000497697255 1001488717 /nfs/dbraw/zinc/48/87/17/1001488717.db2.gz URIGSNFSXYTKQF-UHFFFAOYSA-N 1 0 416.481 3.725 20 30 HHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc2)C1 ZINC000506745907 1001512109 /nfs/dbraw/zinc/51/21/09/1001512109.db2.gz ZNJMNOVYZWWWMW-UZUQRXQVSA-N 1 0 415.534 3.607 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)CC2)c1 ZINC000506789505 1001530835 /nfs/dbraw/zinc/53/08/35/1001530835.db2.gz LVANHMQYMFJARH-UHFFFAOYSA-N 1 0 418.516 3.900 20 30 HHEDRO COC(=O)c1cc(Cl)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000506992592 1001752654 /nfs/dbraw/zinc/75/26/54/1001752654.db2.gz ZHDWEOMIWHLTEU-UHFFFAOYSA-N 1 0 414.893 3.594 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000498371798 1001802925 /nfs/dbraw/zinc/80/29/25/1001802925.db2.gz DXGAHCHBEJLSRO-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000498433020 1001863266 /nfs/dbraw/zinc/86/32/66/1001863266.db2.gz BUKIHZAIBZATSA-FQEVSTJZSA-N 1 0 420.557 3.548 20 30 HHEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000507421025 1002062493 /nfs/dbraw/zinc/06/24/93/1002062493.db2.gz KVRKVPLDGKNRPO-KXBFYZLASA-N 1 0 408.458 3.711 20 30 HHEDRO C[C@@H]1CCC[C@](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)([NH+](C)C)C1 ZINC000507555344 1002160956 /nfs/dbraw/zinc/16/09/56/1002160956.db2.gz ZDYLJHYYMNEMSM-HXOBKFHXSA-N 1 0 400.542 3.540 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000498864112 1002250135 /nfs/dbraw/zinc/25/01/35/1002250135.db2.gz IOYKGOUDAKGRNG-HXUWFJFHSA-N 1 0 419.550 3.968 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000507777390 1002338716 /nfs/dbraw/zinc/33/87/16/1002338716.db2.gz PISUUZSJNJRRGW-PXDATVDWSA-N 1 0 403.526 3.843 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000499428970 1002813300 /nfs/dbraw/zinc/81/33/00/1002813300.db2.gz ZNWNQUTUKGNBDZ-HSZRJFAPSA-N 1 0 406.530 3.732 20 30 HHEDRO C=CCN1CC[C@@H]([NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)C1=O ZINC000499548723 1002930910 /nfs/dbraw/zinc/93/09/10/1002930910.db2.gz MCQMVAKSURIEKR-HSZRJFAPSA-N 1 0 406.526 3.648 20 30 HHEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508480813 1002965401 /nfs/dbraw/zinc/96/54/01/1002965401.db2.gz KMQLUEQEQKJMAW-UHFFFAOYSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508481298 1002965959 /nfs/dbraw/zinc/96/59/59/1002965959.db2.gz PFDBQWIJFGGUTJ-UHFFFAOYSA-N 1 0 411.550 3.506 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508487678 1002971148 /nfs/dbraw/zinc/97/11/48/1002971148.db2.gz GSTNUZOIYKFSBY-ZWKOTPCHSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508488194 1002971859 /nfs/dbraw/zinc/97/18/59/1002971859.db2.gz INMLBAJNTCNQCN-ROUUACIJSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508489508 1002972188 /nfs/dbraw/zinc/97/21/88/1002972188.db2.gz OBAJSXUPFPVBNL-IBGZPJMESA-N 1 0 404.562 3.935 20 30 HHEDRO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000508497094 1002979638 /nfs/dbraw/zinc/97/96/38/1002979638.db2.gz IXIQEZKFAYHCGT-SFHVURJKSA-N 1 0 407.518 3.924 20 30 HHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508499459 1002981975 /nfs/dbraw/zinc/98/19/75/1002981975.db2.gz ZNBZCMFNHYEICD-DENIHFKCSA-N 1 0 407.562 3.805 20 30 HHEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508503979 1002986121 /nfs/dbraw/zinc/98/61/21/1002986121.db2.gz IKPNLQAOKVNFOI-FKBYEOEOSA-N 1 0 407.562 3.807 20 30 HHEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000508532324 1003009635 /nfs/dbraw/zinc/00/96/35/1003009635.db2.gz DHUINZPGPDPIST-UHFFFAOYSA-N 1 0 408.521 3.504 20 30 HHEDRO Cc1nn2c(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)c(C(C)C)nc2s1 ZINC000499706362 1003056068 /nfs/dbraw/zinc/05/60/68/1003056068.db2.gz QTWRPTWJOYQYOZ-INIZCTEOSA-N 1 0 412.538 3.992 20 30 HHEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508791367 1003219980 /nfs/dbraw/zinc/21/99/80/1003219980.db2.gz APGPSEYACYNKHD-UTKZUKDTSA-N 1 0 423.561 3.601 20 30 HHEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508791363 1003220101 /nfs/dbraw/zinc/22/01/01/1003220101.db2.gz APGPSEYACYNKHD-DYESRHJHSA-N 1 0 423.561 3.601 20 30 HHEDRO C=CCn1c(-c2ccc(C)s2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508815229 1003240263 /nfs/dbraw/zinc/24/02/63/1003240263.db2.gz YPPVHTPYHFJYFJ-CALCHBBNSA-N 1 0 415.607 3.827 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000499922546 1003249254 /nfs/dbraw/zinc/24/92/54/1003249254.db2.gz QZAUXWMMNJJKMU-OAQYLSRUSA-N 1 0 413.562 3.696 20 30 HHEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508843529 1003264428 /nfs/dbraw/zinc/26/44/28/1003264428.db2.gz DQYRFRMJFIIJPD-UHFFFAOYSA-N 1 0 408.369 3.630 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508850297 1003271088 /nfs/dbraw/zinc/27/10/88/1003271088.db2.gz UWGOJVOZMXVUSW-SFHVURJKSA-N 1 0 411.550 3.535 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508851332 1003271866 /nfs/dbraw/zinc/27/18/66/1003271866.db2.gz YYRSZBRIVVIHSX-UHFFFAOYSA-N 1 0 404.518 3.851 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508863618 1003283313 /nfs/dbraw/zinc/28/33/13/1003283313.db2.gz IZJMPFJFWOUKFY-KRWDZBQOSA-N 1 0 403.958 3.865 20 30 HHEDRO C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508871436 1003291577 /nfs/dbraw/zinc/29/15/77/1003291577.db2.gz FNRPKXUAUCKBFQ-UHFFFAOYSA-N 1 0 420.330 3.707 20 30 HHEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508887527 1003313907 /nfs/dbraw/zinc/31/39/07/1003313907.db2.gz JSWCVNYYUDAXQV-UHFFFAOYSA-N 1 0 404.356 3.860 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508906673 1003344632 /nfs/dbraw/zinc/34/46/32/1003344632.db2.gz HTBPKLQMKNOSBW-LJQANCHMSA-N 1 0 413.566 3.781 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000508908838 1003348906 /nfs/dbraw/zinc/34/89/06/1003348906.db2.gz WDOVGKCYYXMUKT-DENIHFKCSA-N 1 0 409.578 3.696 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000508913548 1003352625 /nfs/dbraw/zinc/35/26/25/1003352625.db2.gz PIJDEUFFLBTZFZ-NQIIRXRSSA-N 1 0 413.566 3.779 20 30 HHEDRO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508960036 1003421569 /nfs/dbraw/zinc/42/15/69/1003421569.db2.gz IKXLEPOKCIJCJQ-QUCCMNQESA-N 1 0 423.561 3.601 20 30 HHEDRO Cc1onc(CC(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)c1C#N ZINC000500108497 1003469867 /nfs/dbraw/zinc/46/98/67/1003469867.db2.gz GXCLQIWUVNNLMS-UHFFFAOYSA-N 1 0 402.498 3.558 20 30 HHEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000509000677 1003472680 /nfs/dbraw/zinc/47/26/80/1003472680.db2.gz YLCDQGGCSKYKBP-INIZCTEOSA-N 1 0 401.942 3.932 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)c1C#N ZINC000500451199 1003726728 /nfs/dbraw/zinc/72/67/28/1003726728.db2.gz YKMBZTOLDMEEMM-UHFFFAOYSA-N 1 0 411.594 3.981 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC000500499197 1003749253 /nfs/dbraw/zinc/74/92/53/1003749253.db2.gz IEPBEPGEHVGYCQ-UHFFFAOYSA-N 1 0 409.921 3.986 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511823168 1003793128 /nfs/dbraw/zinc/79/31/28/1003793128.db2.gz KMFFLVADHVWTOJ-KXBFYZLASA-N 1 0 417.431 3.735 20 30 HHEDRO Cc1onc(CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1C#N ZINC000500592439 1003805584 /nfs/dbraw/zinc/80/55/84/1003805584.db2.gz ORPCZQVAAHWDOL-MGPUTAFESA-N 1 0 420.435 3.615 20 30 HHEDRO CCOc1ccc(OCC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000500600678 1003814721 /nfs/dbraw/zinc/81/47/21/1003814721.db2.gz LKBKLMDESXOKCK-UHFFFAOYSA-N 1 0 402.498 3.706 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500648977 1003862871 /nfs/dbraw/zinc/86/28/71/1003862871.db2.gz GDUCAQVIHMBHNJ-LAUBAEHRSA-N 1 0 415.534 3.685 20 30 HHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000509570990 1003951929 /nfs/dbraw/zinc/95/19/29/1003951929.db2.gz RGFSYNRPSGHCHI-UTKZUKDTSA-N 1 0 410.518 3.833 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500834223 1003990735 /nfs/dbraw/zinc/99/07/35/1003990735.db2.gz ABILOEDQUBBSPL-GHTZIAJQSA-N 1 0 407.514 3.678 20 30 HHEDRO Fc1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1C(F)(F)F ZINC000512061196 1003992015 /nfs/dbraw/zinc/99/20/15/1003992015.db2.gz XKVKJHRFSACPBM-UHFFFAOYSA-N 1 0 402.354 3.931 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](CCCN3CCN(c4ccccc4)CC3)CC2)c1 ZINC000509669329 1004016946 /nfs/dbraw/zinc/01/69/46/1004016946.db2.gz FLVDBYQEUIESBH-UHFFFAOYSA-N 1 0 404.558 3.614 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1C#N ZINC000512114884 1004033772 /nfs/dbraw/zinc/03/37/72/1004033772.db2.gz ODWKZXBPWMBRBN-UHFFFAOYSA-N 1 0 421.570 3.552 20 30 HHEDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000500968683 1004085304 /nfs/dbraw/zinc/08/53/04/1004085304.db2.gz SHURYJZETZOSQV-UWJYYQICSA-N 1 0 415.534 3.512 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512236092 1004136892 /nfs/dbraw/zinc/13/68/92/1004136892.db2.gz FJQUJQQDRSZXQB-ATIYNZHBSA-N 1 0 416.569 3.920 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc(OC)c1O ZINC000512260193 1004162034 /nfs/dbraw/zinc/16/20/34/1004162034.db2.gz MHUKMZFSZBFZGZ-UHFFFAOYSA-N 1 0 406.526 3.931 20 30 HHEDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 ZINC000512276972 1004178389 /nfs/dbraw/zinc/17/83/89/1004178389.db2.gz MGIZEZBNODPQRN-WIYYLYMNSA-N 1 0 408.571 3.683 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)C2=O)cc1 ZINC000512292355 1004196032 /nfs/dbraw/zinc/19/60/32/1004196032.db2.gz GWJLLPKMPUFPGC-AZGAKELHSA-N 1 0 414.553 3.652 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)cc(OC)c1O ZINC000512349790 1004237857 /nfs/dbraw/zinc/23/78/57/1004237857.db2.gz AKICUAWULZTGCI-UHFFFAOYSA-N 1 0 414.571 3.762 20 30 HHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000512421723 1004288047 /nfs/dbraw/zinc/28/80/47/1004288047.db2.gz USDAQPOVZSIXCM-UHFFFAOYSA-N 1 0 401.466 3.687 20 30 HHEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000512463060 1004321606 /nfs/dbraw/zinc/32/16/06/1004321606.db2.gz OBJCKTCAEIXEPX-IBGZPJMESA-N 1 0 402.502 3.548 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)c(OC)c1 ZINC000512631978 1004444811 /nfs/dbraw/zinc/44/48/11/1004444811.db2.gz VLGMBZJDSUYPEQ-OAHLLOKOSA-N 1 0 411.477 3.670 20 30 HHEDRO CN(C(=O)C[NH2+][C@@H]1CCOc2c(Br)cccc21)C1(C#N)CCCCC1 ZINC000501547770 1004506628 /nfs/dbraw/zinc/50/66/28/1004506628.db2.gz DCWCUSVOSISRSP-MRXNPFEDSA-N 1 0 406.324 3.547 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccco1 ZINC000510368988 1004514099 /nfs/dbraw/zinc/51/40/99/1004514099.db2.gz IOWQCLLLPVPZNB-MLGOLLRUSA-N 1 0 415.437 3.578 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000510385804 1004526832 /nfs/dbraw/zinc/52/68/32/1004526832.db2.gz DHMDFLPJIVYIMV-QFIPXVFZSA-N 1 0 406.530 3.925 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512739926 1004530099 /nfs/dbraw/zinc/53/00/99/1004530099.db2.gz MHQBAFFEXRPCRW-VQIMIIECSA-N 1 0 417.600 3.524 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccco1 ZINC000510432902 1004563179 /nfs/dbraw/zinc/56/31/79/1004563179.db2.gz ZPWMIMPNZLOVKK-IUODEOHRSA-N 1 0 415.437 3.578 20 30 HHEDRO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512843289 1004604406 /nfs/dbraw/zinc/60/44/06/1004604406.db2.gz FZLMININCILNHM-DLBZAZTESA-N 1 0 407.489 3.907 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000510522053 1004648779 /nfs/dbraw/zinc/64/87/79/1004648779.db2.gz GFKVEWQVVGSDFT-UHFFFAOYSA-N 1 0 421.545 3.807 20 30 HHEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N)[NH+](C)C ZINC000510552531 1004689704 /nfs/dbraw/zinc/68/97/04/1004689704.db2.gz VYAQDQTXBKMIPJ-UUOWRZLLSA-N 1 0 406.530 3.783 20 30 HHEDRO C[NH+](C)CCCC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000501769263 1004706670 /nfs/dbraw/zinc/70/66/70/1004706670.db2.gz HKUHFBVLXSLNPN-UHFFFAOYSA-N 1 0 402.608 3.881 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000510640209 1004771228 /nfs/dbraw/zinc/77/12/28/1004771228.db2.gz ZHRSMXZWDMGFAB-UHFFFAOYSA-N 1 0 403.477 3.989 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000510679751 1004795856 /nfs/dbraw/zinc/79/58/56/1004795856.db2.gz DXWGPIINAWOPLX-HXUWFJFHSA-N 1 0 409.555 3.809 20 30 HHEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000510762056 1004837403 /nfs/dbraw/zinc/83/74/03/1004837403.db2.gz GZPAZJRVTRZOPO-KFWWJZLASA-N 1 0 412.456 3.987 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC000513197663 1004856673 /nfs/dbraw/zinc/85/66/73/1004856673.db2.gz XTLTUNRLTZVHEP-OAQYLSRUSA-N 1 0 417.431 3.897 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)c1 ZINC000502193523 1004950259 /nfs/dbraw/zinc/95/02/59/1004950259.db2.gz HRTBTNBBKOAJSS-UHFFFAOYSA-N 1 0 415.497 3.892 20 30 HHEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000513442808 1004968689 /nfs/dbraw/zinc/96/86/89/1004968689.db2.gz KDRVNZMMHSHTDP-PZNXAURZSA-N 1 0 406.954 3.717 20 30 HHEDRO N#Cc1ccc(OC2CCC(NC(=O)NCCCCC[NH+]3CCCCC3)CC2)nc1 ZINC000511018002 1004981620 /nfs/dbraw/zinc/98/16/20/1004981620.db2.gz YVCJWOHQMYREOU-UHFFFAOYSA-N 1 0 413.566 3.599 20 30 HHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502339915 1005020883 /nfs/dbraw/zinc/02/08/83/1005020883.db2.gz PIOHMFIXWUJJQH-FQEVSTJZSA-N 1 0 415.497 3.792 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl ZINC000511157596 1005049680 /nfs/dbraw/zinc/04/96/80/1005049680.db2.gz FIGNDJDEKBITCM-UHFFFAOYSA-N 1 0 404.942 3.824 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1 ZINC000513666996 1005074209 /nfs/dbraw/zinc/07/42/09/1005074209.db2.gz OYFBSYAQQBOEHL-UHFFFAOYSA-N 1 0 414.509 3.840 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511214913 1005077847 /nfs/dbraw/zinc/07/78/47/1005077847.db2.gz GKYBKDDCGZFFHY-MJGOQNOKSA-N 1 0 400.523 3.945 20 30 HHEDRO N#CC1(CS(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC000511243823 1005088230 /nfs/dbraw/zinc/08/82/30/1005088230.db2.gz WLYLOBANMCQGST-XZOQPEGZSA-N 1 0 423.582 3.658 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000513724889 1005097256 /nfs/dbraw/zinc/09/72/56/1005097256.db2.gz KAZRGHMHFREUCR-GAJHUEQPSA-N 1 0 413.541 3.534 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)c2)c1 ZINC000511265140 1005097361 /nfs/dbraw/zinc/09/73/61/1005097361.db2.gz JQVKIABSESNSAQ-GOSISDBHSA-N 1 0 417.509 3.645 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)ccc1Cl ZINC000513726741 1005098430 /nfs/dbraw/zinc/09/84/30/1005098430.db2.gz ABJKIYHVNJPVJR-OAHLLOKOSA-N 1 0 419.957 3.568 20 30 HHEDRO CC1CC[NH+]([C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2cccs2)CC1 ZINC000502519818 1005099675 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Cc1cc(C[NH+]2CCSCC2)ccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000539231442 1007525294 /nfs/dbraw/zinc/52/52/94/1007525294.db2.gz HSEBOILUBSCGJW-UHFFFAOYSA-N 1 0 421.975 3.870 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)ccc1OCc1ccncc1 ZINC000539252646 1007545967 /nfs/dbraw/zinc/54/59/67/1007545967.db2.gz LYPIVABLJSJPNL-OAHLLOKOSA-N 1 0 422.510 3.892 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000539253443 1007546757 /nfs/dbraw/zinc/54/67/57/1007546757.db2.gz FPIUEPWSTBUKEX-XLIONFOSSA-N 1 0 410.514 3.979 20 30 HHEDRO C[C@@H]([N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)(C)C ZINC000533250280 1007568533 /nfs/dbraw/zinc/56/85/33/1007568533.db2.gz QESAGRUOFXPFIC-IAGOWNOFSA-N 1 0 400.567 3.722 20 30 HHEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1OC)c1ccc2c(c1)OCCO2 ZINC000539278599 1007573045 /nfs/dbraw/zinc/57/30/45/1007573045.db2.gz DJZIZUZSHJODJP-IEBWSBKVSA-N 1 0 423.513 3.842 20 30 HHEDRO 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CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000533386127 1007698344 /nfs/dbraw/zinc/69/83/44/1007698344.db2.gz HLCCXORDPAHDIX-UHFFFAOYSA-N 1 0 400.320 3.548 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535675597 1007700365 /nfs/dbraw/zinc/70/03/65/1007700365.db2.gz LXNXMUOMWOADSM-OXTHUFEASA-N 1 0 415.896 3.927 20 30 HHEDRO CCC[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC[N@@H+]1Cc1ccccc1 ZINC000539427269 1007733543 /nfs/dbraw/zinc/73/35/43/1007733543.db2.gz QTSLMNLWACGIEL-NRFANRHFSA-N 1 0 420.557 3.721 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000517524796 1007742653 /nfs/dbraw/zinc/74/26/53/1007742653.db2.gz LXLPEEYWPNGQGF-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000539491579 1007803484 /nfs/dbraw/zinc/80/34/84/1007803484.db2.gz QUFFHVBQYUOHBZ-RTBURBONSA-N 1 0 416.978 3.851 20 30 HHEDRO 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ZINC000518510491 1008332380 /nfs/dbraw/zinc/33/23/80/1008332380.db2.gz RRBNKRLPHRHLPP-UHFFFAOYSA-N 1 0 405.970 3.728 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000518624876 1008369945 /nfs/dbraw/zinc/36/99/45/1008369945.db2.gz TURQPRPEIACMRB-UHFFFAOYSA-N 1 0 415.541 3.890 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000518675672 1008387848 /nfs/dbraw/zinc/38/78/48/1008387848.db2.gz LJPKAMWNIYKKFS-QFBILLFUSA-N 1 0 416.591 3.504 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC000540343697 1008390364 /nfs/dbraw/zinc/39/03/64/1008390364.db2.gz FNDPWRMEUBYBSB-SFHVURJKSA-N 1 0 415.559 3.708 20 30 HHEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccncc1 ZINC000540352901 1008394787 /nfs/dbraw/zinc/39/47/87/1008394787.db2.gz SJIZKKBXUNHCOM-RHGYRFJNSA-N 1 0 424.545 3.763 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000540432212 1008430897 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OIVDCGNUFAHACC-XMMPIXPASA-N 1 0 419.573 3.863 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)cc1 ZINC000545426394 1008537135 /nfs/dbraw/zinc/53/71/35/1008537135.db2.gz YBQWPIYLFGBNLE-JOCHJYFZSA-N 1 0 406.530 3.731 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)cc1 ZINC000545426395 1008537399 /nfs/dbraw/zinc/53/73/99/1008537399.db2.gz YBQWPIYLFGBNLE-QFIPXVFZSA-N 1 0 406.530 3.731 20 30 HHEDRO C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000548954485 1008539407 /nfs/dbraw/zinc/53/94/07/1008539407.db2.gz ASDOBNUMFJVTTC-MOPGFXCFSA-N 1 0 423.561 3.951 20 30 HHEDRO COc1ccccc1C1(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCC1 ZINC000545447773 1008561008 /nfs/dbraw/zinc/56/10/08/1008561008.db2.gz GWPGQXFEMKHUMN-UHFFFAOYSA-N 1 0 420.557 3.762 20 30 HHEDRO CC[NH+](CC)CCCC1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000543023263 1008603896 /nfs/dbraw/zinc/60/38/96/1008603896.db2.gz RKGVLNBZBBPHIZ-UHFFFAOYSA-N 1 0 400.567 3.569 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549046017 1008612040 /nfs/dbraw/zinc/61/20/40/1008612040.db2.gz AMQQQYCOPHYRLU-OALUTQOASA-N 1 0 422.577 3.552 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(CN4C(=O)CCCC4=O)cc3)CC2)cc1 ZINC000545557205 1008653799 /nfs/dbraw/zinc/65/37/99/1008653799.db2.gz CTRKIQXXCDXOIZ-UHFFFAOYSA-N 1 0 416.525 3.674 20 30 HHEDRO CCN1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549117398 1008684629 /nfs/dbraw/zinc/68/46/29/1008684629.db2.gz VBZPGZCELDFGKM-AZUAARDMSA-N 1 0 406.933 3.547 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000519292958 1008704330 /nfs/dbraw/zinc/70/43/30/1008704330.db2.gz QJRWQTCUEIVNBR-XMMPIXPASA-N 1 0 423.557 3.937 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000519440315 1008817227 /nfs/dbraw/zinc/81/72/27/1008817227.db2.gz BABYXKGAVDNHPS-HXUWFJFHSA-N 1 0 422.554 3.584 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549266321 1008835769 /nfs/dbraw/zinc/83/57/69/1008835769.db2.gz PBTRZGBPLZCTLO-LJQANCHMSA-N 1 0 411.550 3.506 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000549405395 1008992754 /nfs/dbraw/zinc/99/27/54/1008992754.db2.gz OQMMFAFLGRRNSZ-UHFFFAOYSA-N 1 0 406.408 3.945 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000543459747 1009043130 /nfs/dbraw/zinc/04/31/30/1009043130.db2.gz WTPURDBDJLMRCW-AWEZNQCLSA-N 1 0 407.440 3.660 20 30 HHEDRO CCc1ccc(C[NH+]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC)CC2)s1 ZINC000549457004 1009048987 /nfs/dbraw/zinc/04/89/87/1009048987.db2.gz WXTFPLDVEGUUCS-UHFFFAOYSA-N 1 0 406.559 3.783 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549476739 1009074105 /nfs/dbraw/zinc/07/41/05/1009074105.db2.gz HDQKDWHKLZMMEK-JJXUHFIVSA-N 1 0 422.976 3.991 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000543495837 1009084934 /nfs/dbraw/zinc/08/49/34/1009084934.db2.gz DJYCCHICERJELD-LEWJYISDSA-N 1 0 412.509 3.650 20 30 HHEDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000520060696 1009221659 /nfs/dbraw/zinc/22/16/59/1009221659.db2.gz MYRRUHCMNOCDPM-SFHVURJKSA-N 1 0 416.591 3.550 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCCO2)C1 ZINC000549594668 1009221923 /nfs/dbraw/zinc/22/19/23/1009221923.db2.gz IFHARDSXUKRDKN-UNMCSNQZSA-N 1 0 422.577 3.554 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549637504 1009263081 /nfs/dbraw/zinc/26/30/81/1009263081.db2.gz OQYXGVHAMWOTHV-UHFFFAOYSA-N 1 0 423.561 3.747 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549676540 1009308595 /nfs/dbraw/zinc/30/85/95/1009308595.db2.gz UEFOJYZUIDVISZ-NRFANRHFSA-N 1 0 409.578 3.788 20 30 HHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549680180 1009311206 /nfs/dbraw/zinc/31/12/06/1009311206.db2.gz BIZMZEKMSYROQU-OAQYLSRUSA-N 1 0 404.562 3.818 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC2)c(F)c1 ZINC000549711607 1009340925 /nfs/dbraw/zinc/34/09/25/1009340925.db2.gz PUISKXBNIBALMD-LJQANCHMSA-N 1 0 407.489 3.703 20 30 HHEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000549731354 1009354651 /nfs/dbraw/zinc/35/46/51/1009354651.db2.gz HIBMMUOOVTUFJB-UHFFFAOYSA-N 1 0 401.599 3.526 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549734265 1009357583 /nfs/dbraw/zinc/35/75/83/1009357583.db2.gz ZIJUOSUHNGQIJD-GOSISDBHSA-N 1 0 401.530 3.740 20 30 HHEDRO C=C(C)Cn1c(C2CCC2)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549734737 1009357829 /nfs/dbraw/zinc/35/78/29/1009357829.db2.gz QLFCQJLJNZRZFL-KDURUIRLSA-N 1 0 401.599 3.837 20 30 HHEDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000520242633 1009363239 /nfs/dbraw/zinc/36/32/39/1009363239.db2.gz ZUIUDCYHMJARFT-HXUWFJFHSA-N 1 0 408.502 3.565 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3(Cc4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000549798294 1009405304 /nfs/dbraw/zinc/40/53/04/1009405304.db2.gz ZTIPKXJWBNHYFP-JOCHJYFZSA-N 1 0 407.489 3.574 20 30 HHEDRO Cc1cccc(COc2ccc(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)cc2)c1 ZINC000549800772 1009406990 /nfs/dbraw/zinc/40/69/90/1009406990.db2.gz YMHPTQIOQHWTCJ-HSZRJFAPSA-N 1 0 402.494 3.975 20 30 HHEDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543887250 1009463937 /nfs/dbraw/zinc/46/39/37/1009463937.db2.gz KUWVXUPJURRZAQ-UHFFFAOYSA-N 1 0 400.914 3.639 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)C1 ZINC000543890129 1009468221 /nfs/dbraw/zinc/46/82/21/1009468221.db2.gz BIBROUAGRZUVPG-PBHICJAKSA-N 1 0 400.914 3.591 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)C1 ZINC000543890130 1009468252 /nfs/dbraw/zinc/46/82/52/1009468252.db2.gz BIBROUAGRZUVPG-RHSMWYFYSA-N 1 0 400.914 3.591 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C[NH+]1CCCCC1 ZINC000543891488 1009470060 /nfs/dbraw/zinc/47/00/60/1009470060.db2.gz FXOWUCXLFUUSCK-OAHLLOKOSA-N 1 0 400.914 3.641 20 30 HHEDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543928322 1009520974 /nfs/dbraw/zinc/52/09/74/1009520974.db2.gz NYOHDMYOGYKOAX-UHFFFAOYSA-N 1 0 409.877 3.590 20 30 HHEDRO C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543935249 1009527083 /nfs/dbraw/zinc/52/70/83/1009527083.db2.gz JKSGAFYFQUVYMC-LJQANCHMSA-N 1 0 419.573 3.611 20 30 HHEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550028563 1009626410 /nfs/dbraw/zinc/62/64/10/1009626410.db2.gz HGVJDONVTMTENU-UHFFFAOYSA-N 1 0 407.898 3.732 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1C#N ZINC000550101825 1009702374 /nfs/dbraw/zinc/70/23/74/1009702374.db2.gz MSIXZJPZPQXFON-NRFANRHFSA-N 1 0 400.567 3.807 20 30 HHEDRO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C[C@@H]1CC=CCC1 ZINC000544106511 1009715879 /nfs/dbraw/zinc/71/58/79/1009715879.db2.gz OGXYTXRBFOAYOZ-MOPGFXCFSA-N 1 0 410.562 3.644 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000550179494 1009757270 /nfs/dbraw/zinc/75/72/70/1009757270.db2.gz SHWMLMXCIMPFGZ-UHFFFAOYSA-N 1 0 416.447 3.956 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000520697517 1009764937 /nfs/dbraw/zinc/76/49/37/1009764937.db2.gz JFWCTJQWZVIJLH-RTBURBONSA-N 1 0 412.578 3.967 20 30 HHEDRO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)C1 ZINC000550238194 1009795829 /nfs/dbraw/zinc/79/58/29/1009795829.db2.gz XFUDTCCJGXJVRV-JOCHJYFZSA-N 1 0 400.592 3.635 20 30 HHEDRO COc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(-c2ccccc2)cc1OC ZINC000546965658 1009921506 /nfs/dbraw/zinc/92/15/06/1009921506.db2.gz RGDVNSURISSLOJ-UHFFFAOYSA-N 1 0 414.509 3.960 20 30 HHEDRO N#Cc1ccc(CCC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1 ZINC000520918133 1009972661 /nfs/dbraw/zinc/97/26/61/1009972661.db2.gz XFMSMMOHRODWMK-UHFFFAOYSA-N 1 0 404.514 3.944 20 30 HHEDRO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCCC1 ZINC000520931600 1009986185 /nfs/dbraw/zinc/98/61/85/1009986185.db2.gz IUPBDBJHCBPSFR-QFIPXVFZSA-N 1 0 420.513 3.526 20 30 HHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000520965388 1010010501 /nfs/dbraw/zinc/01/05/01/1010010501.db2.gz UIXNGGCJWRXXFB-UHFFFAOYSA-N 1 0 414.962 3.835 20 30 HHEDRO C[N@H+](CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cc1ccccc1 ZINC000521089218 1010106101 /nfs/dbraw/zinc/10/61/01/1010106101.db2.gz DFXGUJVAALFLGL-UHFFFAOYSA-N 1 0 400.482 3.997 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000521508326 1010422934 /nfs/dbraw/zinc/42/29/34/1010422934.db2.gz LDQVWGDZYKUQQX-GOTSBHOMSA-N 1 0 424.520 3.691 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)CC1 ZINC000521573660 1010473065 /nfs/dbraw/zinc/47/30/65/1010473065.db2.gz MBNFQORVKOGIEB-UHFFFAOYSA-N 1 0 413.591 3.640 20 30 HHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000547962136 1010484772 /nfs/dbraw/zinc/48/47/72/1010484772.db2.gz RJICEZATRHOXKV-UHFFFAOYSA-N 1 0 411.893 3.680 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000521663126 1010533946 /nfs/dbraw/zinc/53/39/46/1010533946.db2.gz JOPYTZASRXAEAI-GOSISDBHSA-N 1 0 410.453 3.681 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000521739556 1010584683 /nfs/dbraw/zinc/58/46/83/1010584683.db2.gz HKUXNHCFXHHECW-HDICACEKSA-N 1 0 416.591 3.505 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000551510043 1010629264 /nfs/dbraw/zinc/62/92/64/1010629264.db2.gz OYDSGPLOVDSFGI-QFIPXVFZSA-N 1 0 423.557 3.905 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000521853229 1010662069 /nfs/dbraw/zinc/66/20/69/1010662069.db2.gz NMVHOSSZARUYNR-NRFANRHFSA-N 1 0 413.562 3.741 20 30 HHEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)CC2)CC1 ZINC000548829023 1010739691 /nfs/dbraw/zinc/73/96/91/1010739691.db2.gz IUJOVFWPBAEZAW-UHFFFAOYSA-N 1 0 409.578 3.691 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c(C#N)c1C ZINC000551719252 1010759798 /nfs/dbraw/zinc/75/97/98/1010759798.db2.gz TYUPSLYEUFRIHS-APPDUMDISA-N 1 0 417.307 3.994 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548930469 1010766033 /nfs/dbraw/zinc/76/60/33/1010766033.db2.gz BXJSXKTYGGOAIT-RPWUZVMVSA-N 1 0 416.569 3.944 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](C)C1 ZINC000522365478 1010960465 /nfs/dbraw/zinc/96/04/65/1010960465.db2.gz XQZKUTXCMDRAMW-GCJKJVERSA-N 1 0 422.529 3.612 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000522648104 1011136320 /nfs/dbraw/zinc/13/63/20/1011136320.db2.gz WWKORDUQCUKDRE-QGZVFWFLSA-N 1 0 413.905 3.845 20 30 HHEDRO C[N@H+](CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CCCC1 ZINC000522787698 1011221039 /nfs/dbraw/zinc/22/10/39/1011221039.db2.gz RVKLUQRDKRDDJA-UHFFFAOYSA-N 1 0 416.576 3.698 20 30 HHEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(O[C@H]2CCOC2)c1 ZINC000540594684 1011250569 /nfs/dbraw/zinc/25/05/69/1011250569.db2.gz XEVZDXNUHSMUEJ-DEOSSOPVSA-N 1 0 405.542 3.789 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)cc1 ZINC000540606874 1011260427 /nfs/dbraw/zinc/26/04/27/1011260427.db2.gz HIWRCIOXPJPVKH-HXUWFJFHSA-N 1 0 408.933 3.571 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000540614721 1011265977 /nfs/dbraw/zinc/26/59/77/1011265977.db2.gz XZKVSYJWDGSWKC-SMCIBBBJSA-N 1 0 403.526 3.660 20 30 HHEDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000540615745 1011267148 /nfs/dbraw/zinc/26/71/48/1011267148.db2.gz SQOJZDIMEMRECI-RYHLMMNBSA-N 1 0 408.498 3.978 20 30 HHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)c2ccccc2)CC1 ZINC000536253279 1011411959 /nfs/dbraw/zinc/41/19/59/1011411959.db2.gz MZMCCMZSEJJJIL-JOCHJYFZSA-N 1 0 415.534 3.590 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1C#N ZINC000536307626 1011500575 /nfs/dbraw/zinc/50/05/75/1011500575.db2.gz NZPDFNIXDXNHHY-UHFFFAOYSA-N 1 0 406.924 3.524 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000523071718 1011541699 /nfs/dbraw/zinc/54/16/99/1011541699.db2.gz LOMOUEIPSUYPQP-KRWDZBQOSA-N 1 0 424.570 3.787 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000540866069 1011543308 /nfs/dbraw/zinc/54/33/08/1011543308.db2.gz YBSNCTAOPSWTEZ-KRWDZBQOSA-N 1 0 406.515 3.613 20 30 HHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)cc1OC ZINC000523197132 1011685307 /nfs/dbraw/zinc/68/53/07/1011685307.db2.gz BSWKDLDYFYGOMU-QFIPXVFZSA-N 1 0 421.541 3.679 20 30 HHEDRO CCCC[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000541098099 1011744235 /nfs/dbraw/zinc/74/42/35/1011744235.db2.gz GQAYBONPUMVHBH-UHFFFAOYSA-N 1 0 400.914 3.783 20 30 HHEDRO C[C@H](CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@H+](C)Cc1ccccc1 ZINC000541101202 1011747881 /nfs/dbraw/zinc/74/78/81/1011747881.db2.gz MULNCPWPKANAPK-QGZVFWFLSA-N 1 0 420.492 3.915 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)n2)c(F)c1 ZINC000541102806 1011749381 /nfs/dbraw/zinc/74/93/81/1011749381.db2.gz ILMKQZQVTINMGO-SFHVURJKSA-N 1 0 424.505 3.903 20 30 HHEDRO C=CCOc1cccc(NC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC000523422938 1011909482 /nfs/dbraw/zinc/90/94/82/1011909482.db2.gz BORKPLMJPLOHFN-UHFFFAOYSA-N 1 0 424.545 3.546 20 30 HHEDRO CN1CCO[C@H]([C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)C1 ZINC000552062331 1012081863 /nfs/dbraw/zinc/08/18/63/1012081863.db2.gz URKJVTOIRRXZQF-BJKOFHAPSA-N 1 0 424.976 3.842 20 30 HHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000536877686 1012122997 /nfs/dbraw/zinc/12/29/97/1012122997.db2.gz OGGHJAAYSHJPSG-HNNXBMFYSA-N 1 0 410.461 3.658 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1)CC(C)C ZINC000536900918 1012160217 /nfs/dbraw/zinc/16/02/17/1012160217.db2.gz LMXWBCJIXHAASI-UHFFFAOYSA-N 1 0 411.999 3.980 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000536943549 1012242137 /nfs/dbraw/zinc/24/21/37/1012242137.db2.gz SSHJWMSDTGTRDH-RTWAWAEBSA-N 1 0 422.976 3.954 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)C(C)C ZINC000523655305 1012248020 /nfs/dbraw/zinc/24/80/20/1012248020.db2.gz DJZPRZUEZUFVRX-GOSISDBHSA-N 1 0 409.361 3.998 20 30 HHEDRO C[C@H]1CN(Cc2cccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000552248665 1012259995 /nfs/dbraw/zinc/25/99/95/1012259995.db2.gz OLRSFFPSDZGUQC-FQEVSTJZSA-N 1 0 404.558 3.538 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000541497542 1012274633 /nfs/dbraw/zinc/27/46/33/1012274633.db2.gz PECGJBLYRGGNPO-UHFFFAOYSA-N 1 0 414.550 3.748 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000552338142 1012350266 /nfs/dbraw/zinc/35/02/66/1012350266.db2.gz SIDGFMQGDZNXKT-UHFFFAOYSA-N 1 0 411.521 3.680 20 30 HHEDRO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)Sc1ccc(Br)cc1 ZINC000523735404 1012353490 /nfs/dbraw/zinc/35/34/90/1012353490.db2.gz KGKCGZVAOXKEBK-SJCJKPOMSA-N 1 0 404.333 3.618 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)ccc1OCC(C)C ZINC000537067696 1012406897 /nfs/dbraw/zinc/40/68/97/1012406897.db2.gz BAUBWWHVHLYJGE-KRWDZBQOSA-N 1 0 416.543 3.726 20 30 HHEDRO C=CCOc1cccnc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000537091387 1012449027 /nfs/dbraw/zinc/44/90/27/1012449027.db2.gz BHGUSODMTVQOHX-UHFFFAOYSA-N 1 0 408.502 3.713 20 30 HHEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000537097556 1012460075 /nfs/dbraw/zinc/46/00/75/1012460075.db2.gz TXKZZQYPHFVDQV-DOQZORMDSA-N 1 0 401.551 3.982 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541690130 1012531524 /nfs/dbraw/zinc/53/15/24/1012531524.db2.gz FREBKFWVYONORI-PONJGIIJSA-N 1 0 416.443 3.716 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](CCCCCn3nnc(-c4ccccc4)n3)CC2)cc1 ZINC000552522972 1012541359 /nfs/dbraw/zinc/54/13/59/1012541359.db2.gz OOGKKMBFUHOGMN-UHFFFAOYSA-N 1 0 416.529 3.925 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000537154713 1012550109 /nfs/dbraw/zinc/55/01/09/1012550109.db2.gz BPDYJLSOLJXLAZ-QHCPKHFHSA-N 1 0 405.542 3.705 20 30 HHEDRO O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000541770454 1012636577 /nfs/dbraw/zinc/63/65/77/1012636577.db2.gz CLDDCDFERQZFOE-UHFFFAOYSA-N 1 0 416.337 3.657 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CCOCC1 ZINC000537225735 1012655290 /nfs/dbraw/zinc/65/52/90/1012655290.db2.gz UPYTWBDOIGGPPU-OAQYLSRUSA-N 1 0 412.509 3.838 20 30 HHEDRO C[NH+](C)C1(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCOCC1 ZINC000523945687 1012683936 /nfs/dbraw/zinc/68/39/36/1012683936.db2.gz JWQIEINZUBMZQE-UHFFFAOYSA-N 1 0 413.905 3.845 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCCC2)CC1 ZINC000537249387 1012694508 /nfs/dbraw/zinc/69/45/08/1012694508.db2.gz REICLPPKVJLLPJ-XUZZJYLKSA-N 1 0 422.598 3.978 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000537249385 1012694600 /nfs/dbraw/zinc/69/46/00/1012694600.db2.gz REICLPPKVJLLPJ-URXFXBBRSA-N 1 0 422.598 3.978 20 30 HHEDRO C=CCCOCCCCC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000537317086 1012776343 /nfs/dbraw/zinc/77/63/43/1012776343.db2.gz FIXPSGOUWKQTGN-UHFFFAOYSA-N 1 0 424.383 3.902 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)c2)c1 ZINC000524044743 1012795386 /nfs/dbraw/zinc/79/53/86/1012795386.db2.gz DUVBYAWLUXTDHE-HSZRJFAPSA-N 1 0 417.509 3.575 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000524071889 1012834357 /nfs/dbraw/zinc/83/43/57/1012834357.db2.gz MSRLZKYEGSJSFH-SJORKVTESA-N 1 0 402.564 3.561 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000537411178 1012892789 /nfs/dbraw/zinc/89/27/89/1012892789.db2.gz KNTFSIMZCNVDKP-QHCPKHFHSA-N 1 0 412.534 3.574 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1cccc(Cl)c1 ZINC000537433167 1012922246 /nfs/dbraw/zinc/92/22/46/1012922246.db2.gz PXMCSQRSJXERLS-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCC[NH2+]C3CCCCC3)n2)c(Cl)c1 ZINC000542030714 1012927153 /nfs/dbraw/zinc/92/71/53/1012927153.db2.gz NETVBVXAPORGLU-UHFFFAOYSA-N 1 0 400.914 3.831 20 30 HHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542035717 1012935267 /nfs/dbraw/zinc/93/52/67/1012935267.db2.gz PDIDTTMLWICKIC-GJZGRUSLSA-N 1 0 400.914 3.782 20 30 HHEDRO CCNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C(CC)CC)cc1 ZINC000729667348 1071781800 /nfs/dbraw/zinc/78/18/00/1071781800.db2.gz FALTWVDVXKAFIX-UHFFFAOYSA-O 1 0 403.524 3.806 20 30 HHEDRO CCc1ccccc1NC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccccc1 ZINC000729668787 1071784617 /nfs/dbraw/zinc/78/46/17/1071784617.db2.gz PHWMAHVAXLFRQM-UHFFFAOYSA-O 1 0 409.487 3.967 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(N3CCOCC3)c2)no1 ZINC001211975885 1071829491 /nfs/dbraw/zinc/82/94/91/1071829491.db2.gz SANONSYQPBMOAV-SFTDATJTSA-N 1 0 414.550 3.651 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC001211975693 1071829667 /nfs/dbraw/zinc/82/96/67/1071829667.db2.gz NQOJXDQPGOZJLA-SJORKVTESA-N 1 0 419.522 3.841 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cncc(Br)c2)no1 ZINC001211975317 1071829124 /nfs/dbraw/zinc/82/91/24/1071829124.db2.gz CYRIAJOIOIODAV-HOTGVXAUSA-N 1 0 409.328 3.972 20 30 HHEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000614922594 1071986656 /nfs/dbraw/zinc/98/66/56/1071986656.db2.gz YBSIRSMNMWYUIO-GOSISDBHSA-N 1 0 415.481 3.870 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000729812244 1072127204 /nfs/dbraw/zinc/12/72/04/1072127204.db2.gz POXUWRZNNKSMEV-FQEVSTJZSA-N 1 0 410.539 3.964 20 30 HHEDRO Cc1cc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)ccc1C#N ZINC000488238637 1072153343 /nfs/dbraw/zinc/15/33/43/1072153343.db2.gz VCTZGEMYUNOLAC-MRXNPFEDSA-N 1 0 403.482 3.681 20 30 HHEDRO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611854727 1072156620 /nfs/dbraw/zinc/15/66/20/1072156620.db2.gz ZOPVYTSSPPVUNH-NTUVXCKYSA-N 1 0 418.541 3.527 20 30 HHEDRO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611854725 1072156657 /nfs/dbraw/zinc/15/66/57/1072156657.db2.gz ZOPVYTSSPPVUNH-GKVQRAMASA-N 1 0 418.541 3.527 20 30 HHEDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc(C#N)c(Br)c2)cc1 ZINC001272171282 1072162779 /nfs/dbraw/zinc/16/27/79/1072162779.db2.gz RZXKLEHBFXNHNR-BJMVGYQFSA-N 1 0 414.303 3.913 20 30 HHEDRO C[NH+](C)CCOc1ccc(-c2noc([C@H]3CCCN3c3ccc(C#N)cc3)n2)cc1 ZINC000615130931 1072179987 /nfs/dbraw/zinc/17/99/87/1072179987.db2.gz DHCGBDJOEKUGFQ-OAQYLSRUSA-N 1 0 403.486 3.890 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cccc(OCC#N)c1 ZINC000760453779 1072360324 /nfs/dbraw/zinc/36/03/24/1072360324.db2.gz DQZRHYILQQWPIE-UHFFFAOYSA-N 1 0 419.447 3.741 20 30 HHEDRO Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)cc(F)c1F ZINC001143600219 1072437834 /nfs/dbraw/zinc/43/78/34/1072437834.db2.gz QIQIQXOYNALIEG-HSZRJFAPSA-N 1 0 412.484 3.659 20 30 HHEDRO COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000586789877 1072441608 /nfs/dbraw/zinc/44/16/08/1072441608.db2.gz JPGZMPBCYCGMTB-DEOSSOPVSA-N 1 0 413.525 3.899 20 30 HHEDRO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000586789878 1072441726 /nfs/dbraw/zinc/44/17/26/1072441726.db2.gz JPGZMPBCYCGMTB-XMMPIXPASA-N 1 0 413.525 3.899 20 30 HHEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cc4ccccc4n3CC#N)cc2)CC1 ZINC000586840168 1072451876 /nfs/dbraw/zinc/45/18/76/1072451876.db2.gz PUGGIAMAJCOKOV-UHFFFAOYSA-N 1 0 402.498 3.568 20 30 HHEDRO C=CCc1cc(CNC(=O)c2cnccc2Nc2ccccc2)cc(OC)c1OC ZINC001625994394 1072478705 /nfs/dbraw/zinc/47/87/05/1072478705.db2.gz YZDAMPVJEBJFQP-UHFFFAOYSA-N 1 0 403.482 3.923 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571272595 1072595296 /nfs/dbraw/zinc/59/52/96/1072595296.db2.gz NTFPFKNLPPQMDI-RXVVDRJESA-N 1 0 403.885 3.773 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571803702 1072858430 /nfs/dbraw/zinc/85/84/30/1072858430.db2.gz NEJUPIRNHSASBD-NZQKXSOJSA-N 1 0 411.590 3.608 20 30 HHEDRO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000588666764 1073083313 /nfs/dbraw/zinc/08/33/13/1073083313.db2.gz WVEGAVJSIGFICU-UKILVPOCSA-N 1 0 400.526 3.853 20 30 HHEDRO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000555131793 1073182940 /nfs/dbraw/zinc/18/29/40/1073182940.db2.gz CGWXNVUGOJOPDE-PZJWPPBQSA-N 1 0 417.431 3.687 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000555260850 1073293546 /nfs/dbraw/zinc/29/35/46/1073293546.db2.gz LXTFLYMBELIGNK-UHFFFAOYSA-N 1 0 421.387 3.589 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000555261466 1073294932 /nfs/dbraw/zinc/29/49/32/1073294932.db2.gz WYEAQOSYIGBPDZ-UHFFFAOYSA-N 1 0 401.530 3.516 20 30 HHEDRO C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000555265628 1073298138 /nfs/dbraw/zinc/29/81/38/1073298138.db2.gz NRNMIJVVXKSRAU-FQEVSTJZSA-N 1 0 424.593 3.891 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000555265320 1073298631 /nfs/dbraw/zinc/29/86/31/1073298631.db2.gz HSPBBFUXTZOKCT-PZJWPPBQSA-N 1 0 401.599 3.839 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000555267425 1073300295 /nfs/dbraw/zinc/30/02/95/1073300295.db2.gz ZLORZCDIKDXVHJ-UHFFFAOYSA-N 1 0 415.969 3.723 20 30 HHEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000555268501 1073301122 /nfs/dbraw/zinc/30/11/22/1073301122.db2.gz MKSZVKUXTDWHJZ-OALUTQOASA-N 1 0 401.599 3.522 20 30 HHEDRO CC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000760711949 1073303699 /nfs/dbraw/zinc/30/36/99/1073303699.db2.gz DHAXCSQXBKIOFG-LOSJGSFVSA-N 1 0 406.574 3.806 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298464 1073318261 /nfs/dbraw/zinc/31/82/61/1073318261.db2.gz OAKGYSXBVZRWQC-DVECYGJZSA-N 1 0 420.532 3.567 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000555294438 1073326054 /nfs/dbraw/zinc/32/60/54/1073326054.db2.gz XJEJHXUMGGXLDA-HXUWFJFHSA-N 1 0 424.932 3.567 20 30 HHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000555316280 1073329253 /nfs/dbraw/zinc/32/92/53/1073329253.db2.gz LOVOSCMOEOJZDZ-YOEHRIQHSA-N 1 0 419.319 3.614 20 30 HHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000555343867 1073355464 /nfs/dbraw/zinc/35/54/64/1073355464.db2.gz DIGXMTDBFYZTME-IFMALSPDSA-N 1 0 404.562 3.926 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000590143140 1073584595 /nfs/dbraw/zinc/58/45/95/1073584595.db2.gz INYLCPLPURGTTL-HSZRJFAPSA-N 1 0 408.546 3.752 20 30 HHEDRO N#Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc2n1 ZINC000590145512 1073585857 /nfs/dbraw/zinc/58/58/57/1073585857.db2.gz CHVUXQZALWDQFX-OAQYLSRUSA-N 1 0 412.537 3.869 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555597027 1073662780 /nfs/dbraw/zinc/66/27/80/1073662780.db2.gz ADGDJXDKILBOHM-AOMKIAJQSA-N 1 0 400.592 3.633 20 30 HHEDRO CC(C)[C@@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000590615036 1073942286 /nfs/dbraw/zinc/94/22/86/1073942286.db2.gz ICPPLBZBMHQIEL-RUZDIDTESA-N 1 0 422.548 3.719 20 30 HHEDRO CC(C)(C)c1csc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1C#N ZINC000555968108 1074012368 /nfs/dbraw/zinc/01/23/68/1074012368.db2.gz DOQHLLROULFKQN-UHFFFAOYSA-N 1 0 416.591 3.769 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000555997163 1074027082 /nfs/dbraw/zinc/02/70/82/1074027082.db2.gz VMOWYOZSYJWSHN-UHFFFAOYSA-N 1 0 411.590 3.671 20 30 HHEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000573040056 1074070219 /nfs/dbraw/zinc/07/02/19/1074070219.db2.gz NRULGURFQLCEDD-LJQANCHMSA-N 1 0 406.530 3.632 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CCN2C[C@@H](C(C)(C)C)CC2=O)c1=S ZINC000783992642 1074129861 /nfs/dbraw/zinc/12/98/61/1074129861.db2.gz KQPOPYINJHEREH-SFHVURJKSA-N 1 0 419.639 3.523 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000591620019 1074444646 /nfs/dbraw/zinc/44/46/46/1074444646.db2.gz FBUAZDSYKJNXAW-UHFFFAOYSA-N 1 0 423.557 3.550 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000760955150 1074708143 /nfs/dbraw/zinc/70/81/43/1074708143.db2.gz HMMPFSOCNYKTSF-UHFFFAOYSA-N 1 0 409.357 3.846 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC1 ZINC000592301905 1074719403 /nfs/dbraw/zinc/71/94/03/1074719403.db2.gz CFQGRWCBWAPNIT-UHFFFAOYSA-N 1 0 413.541 3.830 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000574541393 1075284716 /nfs/dbraw/zinc/28/47/16/1075284716.db2.gz KDNCCBPVGRXXPM-JKSBSHDWSA-N 1 0 416.591 3.504 20 30 HHEDRO CCOC(=O)c1cc(C)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1C#N ZINC001164629894 719068452 /nfs/dbraw/zinc/06/84/52/719068452.db2.gz ZVMSCCTXRZIVID-DENIHFKCSA-N 1 0 404.514 3.539 20 30 HHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164711155 720106685 /nfs/dbraw/zinc/10/66/85/720106685.db2.gz OTQHAVPZOMZYIT-SFHVURJKSA-N 1 0 411.937 3.509 20 30 HHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001164816034 720160587 /nfs/dbraw/zinc/16/05/87/720160587.db2.gz JWGHTPLAOIMSRF-UZUQRXQVSA-N 1 0 410.949 3.945 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)[C@@H]2C ZINC001164853970 720925036 /nfs/dbraw/zinc/92/50/36/720925036.db2.gz DGFGSVUWAGPUMB-CYBMUJFWSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164900445 721512877 /nfs/dbraw/zinc/51/28/77/721512877.db2.gz RCAKDBNRGFKALO-NVXWUHKLSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898536 721517715 /nfs/dbraw/zinc/51/77/15/721517715.db2.gz ILGVWXNOEPKPKS-AEFFLSMTSA-N 1 0 423.879 3.636 20 30 HHEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898539 721518305 /nfs/dbraw/zinc/51/83/05/721518305.db2.gz ILGVWXNOEPKPKS-WMZOPIPTSA-N 1 0 423.879 3.636 20 30 HHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900086 721526265 /nfs/dbraw/zinc/52/62/65/721526265.db2.gz NWYFKYGETNCZFI-HOCLYGCPSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912401 721536420 /nfs/dbraw/zinc/53/64/20/721536420.db2.gz ZPKHVUKKDWNFAK-DOTOQJQBSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164905251 721536568 /nfs/dbraw/zinc/53/65/68/721536568.db2.gz HHETXDPSXCWHRT-WBVHZDCISA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164904031 721586321 /nfs/dbraw/zinc/58/63/21/721586321.db2.gz CPQQTDJPDLSBHX-IBGZPJMESA-N 1 0 403.864 3.739 20 30 HHEDRO N#Cc1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906229 721691519 /nfs/dbraw/zinc/69/15/19/721691519.db2.gz MLKXZYOFFDFJPK-QFIPXVFZSA-N 1 0 420.467 3.634 20 30 HHEDRO N#Cc1cc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906275 721699365 /nfs/dbraw/zinc/69/93/65/721699365.db2.gz NBUZDPNOVGBPOI-IBGZPJMESA-N 1 0 403.864 3.739 20 30 HHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)C[C@H]21 ZINC001165027393 721823447 /nfs/dbraw/zinc/82/34/47/721823447.db2.gz SAFFLIJWYAJKCG-ZFJSRUIDSA-N 1 0 401.558 3.964 20 30 HHEDRO CSc1nc(Cl)c(C#N)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953692 722012314 /nfs/dbraw/zinc/01/23/14/722012314.db2.gz GAHAYSBUAQTWPY-UHFFFAOYSA-N 1 0 414.966 3.611 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000537539344 1013053549 /nfs/dbraw/zinc/05/35/49/1013053549.db2.gz FDOSXLIEVKJMDQ-NRFANRHFSA-N 1 0 410.493 3.684 20 30 HHEDRO N#Cc1ccc2nc(N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)ccc2c1 ZINC000301970043 971136944 /nfs/dbraw/zinc/13/69/44/971136944.db2.gz CTHJMBJMEYVEJY-NRFANRHFSA-N 1 0 412.541 3.540 20 30 HHEDRO CN(Cc1cccc(C#N)c1)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000303101125 971503518 /nfs/dbraw/zinc/50/35/18/971503518.db2.gz HTAAVGDAIDSSMC-OAQYLSRUSA-N 1 0 401.432 3.971 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000303297600 971608879 /nfs/dbraw/zinc/60/88/79/971608879.db2.gz PKHIAQXZMWDOKB-UHFFFAOYSA-N 1 0 404.917 3.803 20 30 HHEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)o2)cc1 ZINC000537562667 1013097332 /nfs/dbraw/zinc/09/73/32/1013097332.db2.gz CRUIDPXTJAKGAL-LJQANCHMSA-N 1 0 411.469 3.773 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CC1 ZINC000303355817 971654537 /nfs/dbraw/zinc/65/45/37/971654537.db2.gz RPULFIYMWUUBLY-UHFFFAOYSA-N 1 0 417.557 3.924 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000303435463 971720940 /nfs/dbraw/zinc/72/09/40/971720940.db2.gz GDCHKARSSGWQRX-UHFFFAOYSA-N 1 0 415.603 3.975 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000303565672 971859765 /nfs/dbraw/zinc/85/97/65/971859765.db2.gz INURLHVGXZQYLT-YMPZKCBVSA-N 1 0 416.606 3.750 20 30 HHEDRO N#Cc1cccc(COc2cccc(CNC3CC[NH+](C[C@@H]4CCOC4)CC3)c2)c1 ZINC000303659742 971938458 /nfs/dbraw/zinc/93/84/58/971938458.db2.gz ATMMSTHCLSWPEE-QHCPKHFHSA-N 1 0 405.542 3.728 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303669719 971948694 /nfs/dbraw/zinc/94/86/94/971948694.db2.gz YJTYNCYTWMVHAG-RTWAWAEBSA-N 1 0 414.569 3.905 20 30 HHEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000303695313 971968991 /nfs/dbraw/zinc/96/89/91/971968991.db2.gz NAAKCSXMKUYDQX-UHFFFAOYSA-N 1 0 408.521 3.892 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCc1ccccc1CN1CCOCC1)c1ccc(Cl)cc1Cl ZINC000303776717 972021245 /nfs/dbraw/zinc/02/12/45/972021245.db2.gz IATJXYKGIDPWIU-OAHLLOKOSA-N 1 0 421.372 3.991 20 30 HHEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1cc(OC)ccc1OC)c1cccc(OC)c1 ZINC000303780852 972024029 /nfs/dbraw/zinc/02/40/29/972024029.db2.gz LTADEYQSYLUPHA-FQEVSTJZSA-N 1 0 400.523 3.522 20 30 HHEDRO [NH2+]=C(NC[C@H]1CCCO[C@H]1c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303863925 972405830 /nfs/dbraw/zinc/40/58/30/972405830.db2.gz ARXZGNNOPDDNJP-KNQAVFIVSA-N 1 0 412.965 3.945 20 30 HHEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2OCCN2CCOCC2)cc1 ZINC000303872189 972414243 /nfs/dbraw/zinc/41/42/43/972414243.db2.gz GBMNJHMZWXTRBJ-LJQANCHMSA-N 1 0 410.562 3.838 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(OCC(F)(F)F)nc2)c1 ZINC000303868536 972409934 /nfs/dbraw/zinc/40/99/34/972409934.db2.gz ALNPEQRWLWFHMD-UHFFFAOYSA-N 1 0 412.412 3.747 20 30 HHEDRO COc1ccc(OC)c([C@@H](O)CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303871176 972413035 /nfs/dbraw/zinc/41/30/35/972413035.db2.gz BNNZZBUDWVDVQO-DIFFPNOSSA-N 1 0 412.317 3.710 20 30 HHEDRO [NH2+]=C(NCc1ccnc(OCc2ccccc2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303882678 972423790 /nfs/dbraw/zinc/42/37/90/972423790.db2.gz IHAQPHTVDZNCML-UHFFFAOYSA-N 1 0 404.470 3.749 20 30 HHEDRO [NH2+]=C(NCCc1cccs1)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000303897274 972435798 /nfs/dbraw/zinc/43/57/98/972435798.db2.gz UWIAWOLTXAXZQR-UHFFFAOYSA-N 1 0 416.554 3.702 20 30 HHEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000303897260 972435813 /nfs/dbraw/zinc/43/58/13/972435813.db2.gz QKHGPETZPKULCD-HXUWFJFHSA-N 1 0 409.578 3.651 20 30 HHEDRO CCCCCCCCNC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000303901582 972470768 /nfs/dbraw/zinc/47/07/68/972470768.db2.gz XMOCLKPUJJSOCC-RTBURBONSA-N 1 0 402.583 3.701 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(N3CCCCC3=O)cc2)c1 ZINC000303901537 972470874 /nfs/dbraw/zinc/47/08/74/972470874.db2.gz XLTKLHCEPBBZKD-UHFFFAOYSA-N 1 0 410.518 3.928 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 ZINC000303905586 972475485 /nfs/dbraw/zinc/47/54/85/972475485.db2.gz VSBKIEDTRLUAGZ-AUUYWEPGSA-N 1 0 420.916 3.676 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000303906451 972477024 /nfs/dbraw/zinc/47/70/24/972477024.db2.gz WBRHZZXJSHGFTP-FQEVSTJZSA-N 1 0 412.534 3.666 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)cc2)cc1 ZINC000303917180 972492249 /nfs/dbraw/zinc/49/22/49/972492249.db2.gz VHZPLELNFPIJCO-LJQANCHMSA-N 1 0 420.513 3.973 20 30 HHEDRO CCN(CC)c1ccc(/C=[NH+]/CCc2cc(OC)c(OC)cc2[N+](=O)[O-])c(O)c1 ZINC000005327322 960706248 /nfs/dbraw/zinc/70/62/48/960706248.db2.gz DQJVJGVUMDFHAR-HYARGMPZSA-N 1 0 401.463 3.825 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COc3ccccc3C(F)(F)F)CC2)c1 ZINC000542281205 1013242403 /nfs/dbraw/zinc/24/24/03/1013242403.db2.gz ZNNVPBISZBJMFW-KRWDZBQOSA-N 1 0 420.431 3.860 20 30 HHEDRO CC1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553287131 1013243142 /nfs/dbraw/zinc/24/31/42/1013243142.db2.gz BTLKEEVEAGMDCB-FQEVSTJZSA-N 1 0 414.981 3.905 20 30 HHEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1O ZINC000008185943 961467285 /nfs/dbraw/zinc/46/72/85/961467285.db2.gz YCRNUSLCYJPVAK-UHFFFAOYSA-N 1 0 424.497 3.709 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000542308477 1013266197 /nfs/dbraw/zinc/26/61/97/1013266197.db2.gz DIPPXUCARAPTGZ-ISKFKSNPSA-N 1 0 424.520 3.650 20 30 HHEDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000537728659 1013290326 /nfs/dbraw/zinc/29/03/26/1013290326.db2.gz OCSRXYDNWOACTN-QFIPXVFZSA-N 1 0 409.555 3.753 20 30 HHEDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CC1 ZINC000553434451 1013350606 /nfs/dbraw/zinc/35/06/06/1013350606.db2.gz CVVWVXPRNWZTBO-MWXLCCTBSA-N 1 0 412.553 3.683 20 30 HHEDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)CC1 ZINC000553434452 1013350706 /nfs/dbraw/zinc/35/07/06/1013350706.db2.gz CVVWVXPRNWZTBO-QNGMFEMESA-N 1 0 412.553 3.683 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000542423405 1013375228 /nfs/dbraw/zinc/37/52/28/1013375228.db2.gz ZFVSLCBXKOMUTP-ICSRJNTNSA-N 1 0 414.550 3.702 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)cc1)C(=S)NC[C@@H]1CCCO1 ZINC000022690785 963697979 /nfs/dbraw/zinc/69/79/79/963697979.db2.gz QJFXCJBAKQLXIP-SFHVURJKSA-O 1 0 403.955 3.897 20 30 HHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cccc21 ZINC000553546414 1013441724 /nfs/dbraw/zinc/44/17/24/1013441724.db2.gz RHGXMUFGKBVDBZ-UZLBHIALSA-N 1 0 408.477 3.548 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 ZINC000024928114 964116188 /nfs/dbraw/zinc/11/61/88/964116188.db2.gz SQGDZBVIYUZHDN-UHFFFAOYSA-N 1 0 404.518 3.631 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000542531736 1013475324 /nfs/dbraw/zinc/47/53/24/1013475324.db2.gz KTHZKXWAAPDUAA-WOJBJXKFSA-N 1 0 412.578 3.575 20 30 HHEDRO CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000542533876 1013477949 /nfs/dbraw/zinc/47/79/49/1013477949.db2.gz PWFPOFQRPHYGMG-SFTDATJTSA-N 1 0 402.970 3.621 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000025303795 964235339 /nfs/dbraw/zinc/23/53/39/964235339.db2.gz FETBRQYPQGMXKC-RUZDIDTESA-N 1 0 415.537 3.659 20 30 HHEDRO N#Cc1ccnc(N2CC[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000025941399 964396465 /nfs/dbraw/zinc/39/64/65/964396465.db2.gz RUJPVAJJLXNWQV-UHFFFAOYSA-N 1 0 411.509 3.771 20 30 HHEDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051056260 964453650 /nfs/dbraw/zinc/45/36/50/964453650.db2.gz HLJMZDTZBBELKR-RTWAWAEBSA-N 1 0 412.578 3.567 20 30 HHEDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051056259 964453969 /nfs/dbraw/zinc/45/39/69/964453969.db2.gz HLJMZDTZBBELKR-LEWJYISDSA-N 1 0 412.578 3.567 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537925995 1013510566 /nfs/dbraw/zinc/51/05/66/1013510566.db2.gz FCRDOKLQMUJFJV-UHFFFAOYSA-N 1 0 401.417 3.593 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1C#N ZINC000537933165 1013519170 /nfs/dbraw/zinc/51/91/70/1013519170.db2.gz MJDRPAKLRPWVFS-UHFFFAOYSA-N 1 0 407.543 3.594 20 30 HHEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027142967 964799517 /nfs/dbraw/zinc/79/95/17/964799517.db2.gz GPCCYMXRZGKYTN-UHFFFAOYSA-N 1 0 416.529 3.775 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1cccc(C)c1 ZINC000027309933 964845457 /nfs/dbraw/zinc/84/54/57/964845457.db2.gz WRUHDXUJCRDHFM-UHFFFAOYSA-O 1 0 408.547 3.514 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000052872838 965008680 /nfs/dbraw/zinc/00/86/80/965008680.db2.gz CHSVWQWZEITPBB-UHFFFAOYSA-N 1 0 403.454 3.821 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028844177 965198860 /nfs/dbraw/zinc/19/88/60/965198860.db2.gz BALWIGSKEXWIGM-UHFFFAOYSA-N 1 0 402.420 3.728 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1C#N ZINC000053721603 965255747 /nfs/dbraw/zinc/25/57/47/965255747.db2.gz QETLICICULTNPI-UHFFFAOYSA-N 1 0 406.555 3.901 20 30 HHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000537983295 1013558024 /nfs/dbraw/zinc/55/80/24/1013558024.db2.gz GHQFOUZYEDTFHW-CQSZACIVSA-N 1 0 402.292 3.706 20 30 HHEDRO Cn1ccnc1COc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000054173298 965408117 /nfs/dbraw/zinc/40/81/17/965408117.db2.gz UWHZETRYAZKOSP-UHFFFAOYSA-N 1 0 415.541 3.579 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000057489915 965473770 /nfs/dbraw/zinc/47/37/70/965473770.db2.gz BWFRQFQGMLNRBJ-UHFFFAOYSA-N 1 0 407.905 3.601 20 30 HHEDRO Cn1nc(CCC[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1-c1ccc(F)cc1 ZINC000054392929 965500974 /nfs/dbraw/zinc/50/09/74/965500974.db2.gz HMFLFRLHVGWIPY-UHFFFAOYSA-N 1 0 419.504 3.991 20 30 HHEDRO C[C@@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454800 965524821 /nfs/dbraw/zinc/52/48/21/965524821.db2.gz ZXGSTPWXGHKZCL-GOSISDBHSA-N 1 0 410.949 3.597 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(C)=O)c(SC)c1)[n+]1ccccc1 ZINC000055012771 965727177 /nfs/dbraw/zinc/72/71/77/965727177.db2.gz CUDRIDDYHMNSRI-UHFFFAOYSA-O 1 0 414.576 3.759 20 30 HHEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000055055428 965746515 /nfs/dbraw/zinc/74/65/15/965746515.db2.gz WMVSFAKOHWNMDR-NRFANRHFSA-N 1 0 404.514 3.541 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1COc2ccccc2O1 ZINC000058490595 965752868 /nfs/dbraw/zinc/75/28/68/965752868.db2.gz GBSMQTAXXGEOFU-OAHLLOKOSA-N 1 0 411.527 3.599 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC000058560392 965784239 /nfs/dbraw/zinc/78/42/39/965784239.db2.gz MHMIPKCJMLOUIL-GOSISDBHSA-N 1 0 420.435 3.794 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000058580621 965793188 /nfs/dbraw/zinc/79/31/88/965793188.db2.gz VVRRVTPEHOFOFH-WIOPSUGQSA-N 1 0 405.542 3.525 20 30 HHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000058931218 965961246 /nfs/dbraw/zinc/96/12/46/965961246.db2.gz RVSKIFMVTCFCNG-FQEVSTJZSA-N 1 0 421.950 3.582 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1cccc(C(F)(F)F)c1 ZINC000058967277 965975397 /nfs/dbraw/zinc/97/53/97/965975397.db2.gz BIQKDGJGWKVIQV-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000059982654 966046136 /nfs/dbraw/zinc/04/61/36/966046136.db2.gz FZUIURVAUIBVPJ-ROUUACIJSA-N 1 0 401.551 3.599 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000055870342 966112253 /nfs/dbraw/zinc/11/22/53/966112253.db2.gz UBVQZTAVHJSIPW-HZPDHXFCSA-N 1 0 412.921 3.871 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000055903238 966132954 /nfs/dbraw/zinc/13/29/54/966132954.db2.gz GKWOQHUKAWWWBN-UHFFFAOYSA-N 1 0 414.509 3.794 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000060531886 966193855 /nfs/dbraw/zinc/19/38/55/966193855.db2.gz LGDMJFWQOGFXTL-QHCPKHFHSA-N 1 0 408.546 3.582 20 30 HHEDRO C[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056170957 966245524 /nfs/dbraw/zinc/24/55/24/966245524.db2.gz RQEAPUAUMLSAOT-GOSISDBHSA-N 1 0 419.529 3.812 20 30 HHEDRO N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCC[NH+]2CCCC2)c1 ZINC000061238979 966407916 /nfs/dbraw/zinc/40/79/16/966407916.db2.gz PETNIXANSNCOJC-UHFFFAOYSA-N 1 0 422.554 3.505 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000056932875 966519290 /nfs/dbraw/zinc/51/92/90/966519290.db2.gz KICLVNTXKBXDIJ-JOCHJYFZSA-N 1 0 406.530 3.935 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000062047679 966606952 /nfs/dbraw/zinc/60/69/52/966606952.db2.gz CSNKNNRSKWTZFA-MRXNPFEDSA-N 1 0 424.932 3.698 20 30 HHEDRO C[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000062240665 966629239 /nfs/dbraw/zinc/62/92/39/966629239.db2.gz DSOOTCRUMWROCX-KRWDZBQOSA-N 1 0 403.954 3.709 20 30 HHEDRO Cc1nc(SCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000063081076 966748658 /nfs/dbraw/zinc/74/86/58/966748658.db2.gz AWLCDTPGKDZIBJ-UHFFFAOYSA-N 1 0 422.598 3.999 20 30 HHEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000063750843 966946565 /nfs/dbraw/zinc/94/65/65/966946565.db2.gz JYVVWBKVBOLOLA-LJQANCHMSA-N 1 0 403.320 3.971 20 30 HHEDRO COc1ccc([C@@H](CCO)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000538128240 1013690635 /nfs/dbraw/zinc/69/06/35/1013690635.db2.gz LVWMJXZFSSBLRJ-LJQANCHMSA-N 1 0 413.543 3.549 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H](CCO)c2ccccc2)c1C#N ZINC000538130070 1013691336 /nfs/dbraw/zinc/69/13/36/1013691336.db2.gz UDGASAMXKHCLPI-QFIPXVFZSA-N 1 0 420.513 3.660 20 30 HHEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](c3ccc(C(C)C)cc3)C(C)C)CC2)o1 ZINC000538141192 1013702986 /nfs/dbraw/zinc/70/29/86/1013702986.db2.gz KYGAZEQZRLCKMQ-QHCPKHFHSA-N 1 0 423.561 3.614 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000064361372 967155660 /nfs/dbraw/zinc/15/56/60/967155660.db2.gz CVXRAZUCXHBTJR-UHFFFAOYSA-N 1 0 421.570 3.934 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000064742444 967280077 /nfs/dbraw/zinc/28/00/77/967280077.db2.gz WJXGSQYWTLPGAX-HXUWFJFHSA-N 1 0 408.502 3.924 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)ccc1OCc1ccccc1 ZINC000538154309 1013714793 /nfs/dbraw/zinc/71/47/93/1013714793.db2.gz CRIFCSBDWQMVAU-OSPHWJPCSA-N 1 0 407.514 3.733 20 30 HHEDRO Cc1cccc(C[NH+]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000045705125 967537602 /nfs/dbraw/zinc/53/76/02/967537602.db2.gz ZHRAIPXRCJMFSO-UHFFFAOYSA-N 1 0 408.571 3.563 20 30 HHEDRO CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000538201276 1013756009 /nfs/dbraw/zinc/75/60/09/1013756009.db2.gz LDCJHOLALAEQOT-RXVVDRJESA-N 1 0 402.608 3.530 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000047937086 968372195 /nfs/dbraw/zinc/37/21/95/968372195.db2.gz AIFBAVPSHFHUNG-HXUWFJFHSA-N 1 0 419.447 3.668 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 ZINC000538256088 1013797443 /nfs/dbraw/zinc/79/74/43/1013797443.db2.gz CAXGNKDHWBOHQE-FQEVSTJZSA-N 1 0 404.518 3.823 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[NH+](C)C)c1 ZINC000048184690 968474966 /nfs/dbraw/zinc/47/49/66/968474966.db2.gz IBXCVXPBPIFZTL-OAQYLSRUSA-N 1 0 419.481 3.772 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000065930748 968720346 /nfs/dbraw/zinc/72/03/46/968720346.db2.gz PCWZQYCGWQWJEH-UHFFFAOYSA-N 1 0 407.905 3.806 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1F ZINC000065930910 968721743 /nfs/dbraw/zinc/72/17/43/968721743.db2.gz JZJONDIIVNIIMJ-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CSCc1ccc(C#N)cc1 ZINC000065937599 968726851 /nfs/dbraw/zinc/72/68/51/968726851.db2.gz SDXQFYYUBVIAKS-UHFFFAOYSA-N 1 0 403.498 3.660 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000071812401 968861452 /nfs/dbraw/zinc/86/14/52/968861452.db2.gz CKWFUCHDWAAHDZ-SFHVURJKSA-N 1 0 413.543 3.597 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000108975835 969443002 /nfs/dbraw/zinc/44/30/02/969443002.db2.gz IIEHFRTYZLQRRA-NHCUHLMSSA-N 1 0 412.578 3.567 20 30 HHEDRO CCOC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000109317127 969497096 /nfs/dbraw/zinc/49/70/96/969497096.db2.gz PLJIEBLOJMXNBG-UHFFFAOYSA-N 1 0 405.564 3.738 20 30 HHEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000109357793 969505357 /nfs/dbraw/zinc/50/53/57/969505357.db2.gz SMYLBRXIILEOEV-MRXNPFEDSA-N 1 0 419.447 3.935 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)CSCc3ccc(C#N)cc3)CC2)cc1 ZINC000109374604 969508508 /nfs/dbraw/zinc/50/85/08/969508508.db2.gz QIWNNUHCAODLAT-UHFFFAOYSA-N 1 0 423.582 3.828 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000110988537 969754997 /nfs/dbraw/zinc/75/49/97/969754997.db2.gz MMAZZGBCUJTWGN-GOSISDBHSA-N 1 0 419.460 3.956 20 30 HHEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)CC1 ZINC000111037456 969764340 /nfs/dbraw/zinc/76/43/40/969764340.db2.gz ZWGKRMYPZVOMPB-JOCHJYFZSA-N 1 0 424.589 3.684 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1C#N ZINC000111051077 969767376 /nfs/dbraw/zinc/76/73/76/969767376.db2.gz JEZOANAPNPZPST-OAQYLSRUSA-N 1 0 423.536 3.604 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)c1C#N ZINC000111052276 969767932 /nfs/dbraw/zinc/76/79/32/969767932.db2.gz AAEPPYCSNHGZOS-NRFANRHFSA-N 1 0 423.536 3.604 20 30 HHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000116676012 969913630 /nfs/dbraw/zinc/91/36/30/969913630.db2.gz XWKRSZVMVUHNRC-ZBFHGGJFSA-N 1 0 406.552 3.716 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000140229700 970069698 /nfs/dbraw/zinc/06/96/98/970069698.db2.gz PPELELWKDBNHAM-FQEVSTJZSA-N 1 0 417.557 3.896 20 30 HHEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccc1OC ZINC000237020944 970207773 /nfs/dbraw/zinc/20/77/73/970207773.db2.gz KVBPAZZZRFZNOG-IBGZPJMESA-N 1 0 413.493 3.642 20 30 HHEDRO CCOc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc(Cl)c1OC ZINC000237081186 970219658 /nfs/dbraw/zinc/21/96/58/970219658.db2.gz JIBBMSBKKMOMTJ-UHFFFAOYSA-N 1 0 400.910 3.773 20 30 HHEDRO CCc1cc(N2CCC[C@@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)ncn1 ZINC000237088018 970220246 /nfs/dbraw/zinc/22/02/46/970220246.db2.gz VDAGGCDWXMKMRH-JOCHJYFZSA-N 1 0 415.545 3.575 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)cc1OC ZINC000237172650 970235909 /nfs/dbraw/zinc/23/59/09/970235909.db2.gz PFSVOABLIWMBEF-UHFFFAOYSA-N 1 0 419.319 3.542 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1OCCCC#N ZINC000237372662 970272776 /nfs/dbraw/zinc/27/27/76/970272776.db2.gz DBWHCHLLXITUDC-IBGZPJMESA-N 1 0 413.905 3.926 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)c(F)c1 ZINC000237827684 970375766 /nfs/dbraw/zinc/37/57/66/970375766.db2.gz BYPTXGGLDDBHHW-OAHLLOKOSA-N 1 0 420.391 3.966 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3csc(COc4ccccc4)n3)CC2)nc1 ZINC000237851649 970381171 /nfs/dbraw/zinc/38/11/71/970381171.db2.gz HNPVIUBCQQEHSF-UHFFFAOYSA-N 1 0 405.527 3.747 20 30 HHEDRO N#Cc1csc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000237858781 970383715 /nfs/dbraw/zinc/38/37/15/970383715.db2.gz UVNVWMXMAPKGGI-UHFFFAOYSA-N 1 0 407.518 3.770 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)c1 ZINC000238110436 970442212 /nfs/dbraw/zinc/44/22/12/970442212.db2.gz POBTXGAUADBGLI-UHFFFAOYSA-N 1 0 401.576 3.593 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C#N)c(C)c1C ZINC000248027692 970501072 /nfs/dbraw/zinc/50/10/72/970501072.db2.gz SNLBSUSCPAKOAS-LJQANCHMSA-N 1 0 400.523 3.529 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C[C@H]1C ZINC000554738590 1014035200 /nfs/dbraw/zinc/03/52/00/1014035200.db2.gz PDZNRHIPAYOBKH-IAGOWNOFSA-N 1 0 402.970 3.759 20 30 HHEDRO COc1cccc(N2CC[C@H](CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)C2)c1 ZINC000303978474 972564425 /nfs/dbraw/zinc/56/44/25/972564425.db2.gz MFTPGZIHVYHFJX-CQSZACIVSA-N 1 0 408.424 3.847 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCCNC(=O)c2cccc(Br)c2)c1 ZINC000303987807 972569302 /nfs/dbraw/zinc/56/93/02/972569302.db2.gz VVNJXSROEDJQTM-UHFFFAOYSA-N 1 0 403.324 3.729 20 30 HHEDRO CCc1ccc(NC(=[NH2+])NCCCNC(=O)c2ccc(Br)cc2)cc1 ZINC000303987978 972569715 /nfs/dbraw/zinc/56/97/15/972569715.db2.gz WASYRTKDNIQWJM-UHFFFAOYSA-N 1 0 403.324 3.558 20 30 HHEDRO C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Oc1ccccc1Br ZINC000304675934 972602658 /nfs/dbraw/zinc/60/26/58/972602658.db2.gz CZNUBWUIGJYQFD-ZDUSSCGKSA-N 1 0 420.307 3.805 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1OC ZINC000304760822 972605320 /nfs/dbraw/zinc/60/53/20/972605320.db2.gz SWWBJIJLXBXXHU-KRWDZBQOSA-N 1 0 414.506 3.696 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2Oc2ccccc2C)CC1 ZINC000304761550 972605407 /nfs/dbraw/zinc/60/54/07/972605407.db2.gz UNZUQHKBZMWEGC-UHFFFAOYSA-N 1 0 410.518 3.813 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCC2(c3cccc(Br)c3)CC2)cc1OC ZINC000304762573 972605505 /nfs/dbraw/zinc/60/55/05/972605505.db2.gz VVIPUHYUEQDBPD-UHFFFAOYSA-N 1 0 404.308 3.925 20 30 HHEDRO Cc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c(O[C@H]2CCOC2)c1 ZINC000305069900 972608678 /nfs/dbraw/zinc/60/86/78/972608678.db2.gz SOZJUDBXRJZSCU-SFHVURJKSA-N 1 0 423.435 3.666 20 30 HHEDRO COc1cc(OC)cc(OCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305252216 972611846 /nfs/dbraw/zinc/61/18/46/972611846.db2.gz VJVRPXGBEMIGPC-UHFFFAOYSA-N 1 0 413.396 3.798 20 30 HHEDRO C[C@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)c1nc(-c2ccccc2)no1 ZINC000305626516 972613196 /nfs/dbraw/zinc/61/31/96/972613196.db2.gz BZPLPBPNPRHSBV-MRXNPFEDSA-N 1 0 424.936 3.630 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000409488930 972939937 /nfs/dbraw/zinc/93/99/37/972939937.db2.gz XAVKXDIJSKPONG-FZKQIMNGSA-N 1 0 411.449 3.547 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1)CC(C)C ZINC000409899364 973362288 /nfs/dbraw/zinc/36/22/88/973362288.db2.gz CXHMUWAAKLKQMB-UHFFFAOYSA-N 1 0 407.562 3.964 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000410100196 973575190 /nfs/dbraw/zinc/57/51/90/973575190.db2.gz HAUDRMXVAWWZNP-KRWDZBQOSA-N 1 0 408.340 3.612 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000426130894 974252343 /nfs/dbraw/zinc/25/23/43/974252343.db2.gz MBWWMHPSFULJSZ-OAQYLSRUSA-N 1 0 411.937 3.712 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)Nc2ccc(C#N)cc2Cl)[C@H](c2ccccc2)C1 ZINC000426130892 974252719 /nfs/dbraw/zinc/25/27/19/974252719.db2.gz MBWWMHPSFULJSZ-NRFANRHFSA-N 1 0 411.937 3.712 20 30 HHEDRO C=CCC[C@@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000426649583 974582237 /nfs/dbraw/zinc/58/22/37/974582237.db2.gz YCRFDELFBCJEMK-JOCHJYFZSA-N 1 0 413.606 3.679 20 30 HHEDRO N#CCSCCC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000426778895 974654040 /nfs/dbraw/zinc/65/40/40/974654040.db2.gz BRBZCHJGZCMMSJ-UHFFFAOYSA-N 1 0 416.328 3.781 20 30 HHEDRO C=CCC[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000426824027 974689384 /nfs/dbraw/zinc/68/93/84/974689384.db2.gz LBUKNAHZWDFWQL-QHCPKHFHSA-N 1 0 411.590 3.577 20 30 HHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000427079432 974885292 /nfs/dbraw/zinc/88/52/92/974885292.db2.gz YPLNQRNORULASP-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427239632 974999302 /nfs/dbraw/zinc/99/93/02/974999302.db2.gz RQHGFKLDSPZFGN-UHFFFAOYSA-N 1 0 400.530 3.795 20 30 HHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427271450 975017042 /nfs/dbraw/zinc/01/70/42/975017042.db2.gz FJOSHWRDPSMJMO-UHFFFAOYSA-N 1 0 418.501 3.752 20 30 HHEDRO C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)cc2C1=O ZINC000427492079 975145420 /nfs/dbraw/zinc/14/54/20/975145420.db2.gz DWTQWZBNWXOSHD-UHFFFAOYSA-N 1 0 403.482 3.625 20 30 HHEDRO N#Cc1cccc(COc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)c2)c1 ZINC000427902143 975340655 /nfs/dbraw/zinc/34/06/55/975340655.db2.gz MWDQLOAYCLIWEO-HSZRJFAPSA-N 1 0 405.498 3.719 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Br)c1F ZINC000428190689 975517101 /nfs/dbraw/zinc/51/71/01/975517101.db2.gz GSZHQMCJRYXIRR-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO N#CCCn1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000428274348 975589455 /nfs/dbraw/zinc/58/94/55/975589455.db2.gz HXVXMCACASTUDV-UHFFFAOYSA-N 1 0 413.525 3.858 20 30 HHEDRO N#CCCn1ncc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1-c1ccccc1 ZINC000428326150 975632705 /nfs/dbraw/zinc/63/27/05/975632705.db2.gz IMMHJLZSEPHCSP-HXUWFJFHSA-N 1 0 403.486 3.624 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2cc(C#N)cs2)cc1Cl ZINC000428400371 975721622 /nfs/dbraw/zinc/72/16/22/975721622.db2.gz LDHQACLGJDFLCR-UHFFFAOYSA-N 1 0 418.950 3.987 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000428789965 976064978 /nfs/dbraw/zinc/06/49/78/976064978.db2.gz PRAOIQKUKZQAPP-KBXCAEBGSA-N 1 0 423.376 3.737 20 30 HHEDRO C[C@@H](NC(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)c(Cl)c1 ZINC000428795336 976071717 /nfs/dbraw/zinc/07/17/17/976071717.db2.gz RAUKETFEELOVOC-CZUORRHYSA-N 1 0 419.312 3.591 20 30 HHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@@H](C)C1 ZINC000428988722 976270021 /nfs/dbraw/zinc/27/00/21/976270021.db2.gz CBMHHZOCSBJDHG-WOCWXWTJSA-N 1 0 414.619 3.735 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429039336 976325000 /nfs/dbraw/zinc/32/50/00/976325000.db2.gz DLUITNYUUOFGRP-DEOSSOPVSA-N 1 0 423.557 3.684 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000429192879 976483729 /nfs/dbraw/zinc/48/37/29/976483729.db2.gz SJNJDHQYMXNKPL-VLIAUNLRSA-N 1 0 403.935 3.940 20 30 HHEDRO CCCn1ccnc1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000429259419 976547711 /nfs/dbraw/zinc/54/77/11/976547711.db2.gz YAMYJSZHZSEULO-UHFFFAOYSA-N 1 0 413.591 3.998 20 30 HHEDRO C[N@H+](CCCC1(C#N)CCOCC1)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429388000 976661599 /nfs/dbraw/zinc/66/15/99/976661599.db2.gz MROADSVMSAKVIS-UHFFFAOYSA-N 1 0 405.542 3.925 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1C#N ZINC000429394717 976669523 /nfs/dbraw/zinc/66/95/23/976669523.db2.gz PBSURXAQBWQODU-SFHVURJKSA-N 1 0 419.573 3.711 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1Cl ZINC000429394536 976669638 /nfs/dbraw/zinc/66/96/38/976669638.db2.gz QBCOBICLPHRPJU-KRWDZBQOSA-N 1 0 402.970 3.701 20 30 HHEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000429395043 976669696 /nfs/dbraw/zinc/66/96/96/976669696.db2.gz AYFOSXMGVXPVHS-ZCYQVOJMSA-N 1 0 412.622 3.706 20 30 HHEDRO N#Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)o1 ZINC000429855395 977127946 /nfs/dbraw/zinc/12/79/46/977127946.db2.gz BYXWEJZXCPXKSR-UHFFFAOYSA-N 1 0 400.482 3.721 20 30 HHEDRO CC(C)c1nc(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)no1 ZINC000430084785 977313142 /nfs/dbraw/zinc/31/31/42/977313142.db2.gz MJIACQPWGSYWOQ-UHFFFAOYSA-N 1 0 405.506 3.745 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430329310 977479874 /nfs/dbraw/zinc/47/98/74/977479874.db2.gz GVBVULSDDIZEFI-DOTOQJQBSA-N 1 0 410.905 3.524 20 30 HHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3cccc(SCC#N)c3)cc2)CC1 ZINC000430611047 977654186 /nfs/dbraw/zinc/65/41/86/977654186.db2.gz NIHHSVSUYICNON-UHFFFAOYSA-N 1 0 423.542 3.770 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C[C@@H](C)O1 ZINC000430693126 977698681 /nfs/dbraw/zinc/69/86/81/977698681.db2.gz ZMSBGRSHOXFJFS-QZTJIDSGSA-N 1 0 401.576 3.654 20 30 HHEDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)cc1OCCCC#N ZINC000430875974 977841603 /nfs/dbraw/zinc/84/16/03/977841603.db2.gz PLYRSTRPMZJQPT-FQEVSTJZSA-N 1 0 407.514 3.863 20 30 HHEDRO C=CCN1C(=O)N(C[C@H](c2ccco2)[NH+]2CCCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430981372 977927059 /nfs/dbraw/zinc/92/70/59/977927059.db2.gz WQDWNCVLNULLSH-LEWJYISDSA-N 1 0 407.514 3.868 20 30 HHEDRO Cc1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000431156316 978057031 /nfs/dbraw/zinc/05/70/31/978057031.db2.gz KIPKDHYLEIGRSA-SFTDATJTSA-N 1 0 406.534 3.762 20 30 HHEDRO N#Cc1cccc(CCNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000431304630 978190172 /nfs/dbraw/zinc/19/01/72/978190172.db2.gz HWXXMZZLTJTFSS-UHFFFAOYSA-N 1 0 402.542 3.798 20 30 HHEDRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431977749 978627672 /nfs/dbraw/zinc/62/76/72/978627672.db2.gz PMQZUIYWWJYXTJ-QPPBQGQZSA-N 1 0 419.573 3.931 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000431983787 978631325 /nfs/dbraw/zinc/63/13/25/978631325.db2.gz WXSKMTMMYJOUNY-ROUUACIJSA-N 1 0 418.541 3.600 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncc(C#N)cc1Cl ZINC000432534327 978870308 /nfs/dbraw/zinc/87/03/08/978870308.db2.gz JWAXVRKLZNMUSG-UHFFFAOYSA-N 1 0 410.827 3.829 20 30 HHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)C1 ZINC000432787753 978974297 /nfs/dbraw/zinc/97/42/97/978974297.db2.gz IBXLFOZEASQFHC-QHCPKHFHSA-N 1 0 408.477 3.836 20 30 HHEDRO N#CCCC[C@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000433021718 979044391 /nfs/dbraw/zinc/04/43/91/979044391.db2.gz YCGFGQAHICVTMN-QHCPKHFHSA-N 1 0 418.541 3.564 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000433079254 979061691 /nfs/dbraw/zinc/06/16/91/979061691.db2.gz VSAFQTLWLJEXIA-QFIPXVFZSA-N 1 0 419.569 3.965 20 30 HHEDRO N#CCCn1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000433299308 979223641 /nfs/dbraw/zinc/22/36/41/979223641.db2.gz BMTGVJYMCRVTKU-UHFFFAOYSA-N 1 0 400.530 3.613 20 30 HHEDRO N#CCCn1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)c(-c2ccncc2)n1 ZINC000433321226 979235320 /nfs/dbraw/zinc/23/53/20/979235320.db2.gz WZRBFBPTBQXBOK-UHFFFAOYSA-N 1 0 424.618 3.700 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCOc2cccc3cccnc32)c(-c2ccncc2)n1 ZINC000433338847 979247636 /nfs/dbraw/zinc/24/76/36/979247636.db2.gz YDRVJVXIFYMZHR-UHFFFAOYSA-N 1 0 412.497 3.966 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000433386961 979268673 /nfs/dbraw/zinc/26/86/73/979268673.db2.gz FOSQDGSNSGLLTI-IBGZPJMESA-N 1 0 406.530 3.525 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH2+][C@H](C)c1ccccc1 ZINC000433887443 979652033 /nfs/dbraw/zinc/65/20/33/979652033.db2.gz HWOBXUYGULDABJ-VQIMIIECSA-N 1 0 410.493 3.518 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000434389081 980133607 /nfs/dbraw/zinc/13/36/07/980133607.db2.gz RMEQSYBJNVBPGC-UHFFFAOYSA-N 1 0 418.419 3.655 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(-c2ccncc2)n1 ZINC000434837310 980433667 /nfs/dbraw/zinc/43/36/67/980433667.db2.gz SOGGDFVZMXTYHB-OAQYLSRUSA-N 1 0 415.497 3.967 20 30 HHEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1Br ZINC000434878770 980463780 /nfs/dbraw/zinc/46/37/80/980463780.db2.gz FQSOILVRJWALNL-XHDPSFHLSA-N 1 0 420.332 3.847 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435132137 980663038 /nfs/dbraw/zinc/66/30/38/980663038.db2.gz IAAOYXPADIZMFW-OAQYLSRUSA-N 1 0 401.514 3.897 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C(F)(F)F ZINC000435168309 980694588 /nfs/dbraw/zinc/69/45/88/980694588.db2.gz KFMHHMBYWCFLOP-UHFFFAOYSA-N 1 0 423.460 3.520 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435427504 980857262 /nfs/dbraw/zinc/85/72/62/980857262.db2.gz NENPKDRTZIQRTC-UHFFFAOYSA-N 1 0 411.552 3.827 20 30 HHEDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH2+][C@H](C)c1ccccc1 ZINC000435632019 980968249 /nfs/dbraw/zinc/96/82/49/980968249.db2.gz KEUXPESCVXVNRY-UZLBHIALSA-N 1 0 410.493 3.518 20 30 HHEDRO Cc1c(F)cccc1NC(=O)CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000435682674 980985463 /nfs/dbraw/zinc/98/54/63/980985463.db2.gz NYTQNZYEXPSVCF-UHFFFAOYSA-N 1 0 417.488 3.705 20 30 HHEDRO C=CCC[C@@H](NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000435763001 981020554 /nfs/dbraw/zinc/02/05/54/981020554.db2.gz QADPWCCTKULOEW-OAQYLSRUSA-N 1 0 414.594 3.620 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1C#N ZINC000435830506 981050526 /nfs/dbraw/zinc/05/05/26/981050526.db2.gz GPWPHESJPAHEDV-KRWDZBQOSA-N 1 0 422.529 3.530 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436293348 981286557 /nfs/dbraw/zinc/28/65/57/981286557.db2.gz CVYJJLNULATJRC-QIJUGHKUSA-N 1 0 403.519 3.889 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000436335885 981308216 /nfs/dbraw/zinc/30/82/16/981308216.db2.gz WTYXOSACYOLVCM-PGRDOPGGSA-N 1 0 414.550 3.604 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1OC ZINC000448468596 981807474 /nfs/dbraw/zinc/80/74/74/981807474.db2.gz VKKOOEGDOHDXRB-PZJWPPBQSA-N 1 0 413.562 3.591 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc(OC)c1OC ZINC000448468767 981808023 /nfs/dbraw/zinc/80/80/23/981808023.db2.gz VRSSAPFIMLDRND-GOSISDBHSA-N 1 0 403.567 3.600 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H]1[NH+]1CCCC1 ZINC000460122130 981898127 /nfs/dbraw/zinc/89/81/27/981898127.db2.gz XKFFBYPZHFGISQ-GOTSBHOMSA-N 1 0 421.566 3.789 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460281066 982057627 /nfs/dbraw/zinc/05/76/27/982057627.db2.gz MAZVRGCPNCZDTD-JOCHJYFZSA-N 1 0 400.530 3.937 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460376571 982153906 /nfs/dbraw/zinc/15/39/06/982153906.db2.gz UQPACBSLNUSUOJ-HXUWFJFHSA-N 1 0 402.546 3.935 20 30 HHEDRO CCOc1cccc2[nH]cc(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000437645050 982264044 /nfs/dbraw/zinc/26/40/44/982264044.db2.gz YOPOKOZWZWPVLG-UHFFFAOYSA-N 1 0 416.525 3.715 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460547037 982333715 /nfs/dbraw/zinc/33/37/15/982333715.db2.gz WKRQPRKLABFDKO-DENIHFKCSA-N 1 0 419.577 3.917 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460565851 982350849 /nfs/dbraw/zinc/35/08/49/982350849.db2.gz IVSBZMWIFRJSME-SFHVURJKSA-N 1 0 401.942 3.760 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437807080 982368801 /nfs/dbraw/zinc/36/88/01/982368801.db2.gz VWRUNOBHUOUIIW-JSJNYSNDSA-N 1 0 409.933 3.752 20 30 HHEDRO CC(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460621359 982397901 /nfs/dbraw/zinc/39/79/01/982397901.db2.gz RYTBMUKKMGOAOX-UHFFFAOYSA-N 1 0 415.545 3.580 20 30 HHEDRO CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460732328 982489378 /nfs/dbraw/zinc/48/93/78/982489378.db2.gz QHWYRZQKQAAIPN-UHFFFAOYSA-N 1 0 422.577 3.698 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460768310 982521725 /nfs/dbraw/zinc/52/17/25/982521725.db2.gz DXZCTMPBZNVZCY-HXUWFJFHSA-N 1 0 402.546 3.935 20 30 HHEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460774590 982527513 /nfs/dbraw/zinc/52/75/13/982527513.db2.gz NZMUPWTYKKZQJQ-FKBYEOEOSA-N 1 0 407.562 3.772 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460782529 982534992 /nfs/dbraw/zinc/53/49/92/982534992.db2.gz JHQZEMVNJSSZCW-MJGOQNOKSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460800798 982553338 /nfs/dbraw/zinc/55/33/38/982553338.db2.gz TXNGPYIBIWYAMJ-UHFFFAOYSA-N 1 0 413.566 3.752 20 30 HHEDRO C=C(C)Cn1c(COCC)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460802165 982555452 /nfs/dbraw/zinc/55/54/52/982555452.db2.gz DYKCNAOTMPXDPB-UHFFFAOYSA-N 1 0 403.958 3.756 20 30 HHEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460805721 982558657 /nfs/dbraw/zinc/55/86/57/982558657.db2.gz NFTCSNWESUOETO-MUGJNUQGSA-N 1 0 403.615 3.939 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000438112481 982594078 /nfs/dbraw/zinc/59/40/78/982594078.db2.gz ATPRRXVRBOKLPI-UHFFFAOYSA-N 1 0 400.567 3.713 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000438196970 982646606 /nfs/dbraw/zinc/64/66/06/982646606.db2.gz HTHASGFVGZFNMP-NNWRFLSQSA-N 1 0 401.551 3.503 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000460938965 982677202 /nfs/dbraw/zinc/67/72/02/982677202.db2.gz RRVVVVJIUAFBOM-UHFFFAOYSA-N 1 0 419.577 3.627 20 30 HHEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460955180 982688293 /nfs/dbraw/zinc/68/82/93/982688293.db2.gz BMKOTYADLMCFGE-SIKLNZKXSA-N 1 0 420.561 3.536 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460959839 982691422 /nfs/dbraw/zinc/69/14/22/982691422.db2.gz PWIARTDFZLBVBQ-DENIHFKCSA-N 1 0 419.577 3.744 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2Br)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460963248 982693623 /nfs/dbraw/zinc/69/36/23/982693623.db2.gz YDCJFGYMOXYIMC-INIZCTEOSA-N 1 0 416.367 3.957 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000438286265 982701196 /nfs/dbraw/zinc/70/11/96/982701196.db2.gz YCBHFDGQCFCWOR-ZLNRFVROSA-N 1 0 404.514 3.626 20 30 HHEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000438483139 982830579 /nfs/dbraw/zinc/83/05/79/982830579.db2.gz CGDDPXRRPQZTKD-IQWMQGJTSA-N 1 0 407.514 3.991 20 30 HHEDRO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000438483868 982830828 /nfs/dbraw/zinc/83/08/28/982830828.db2.gz OEOQNWRVOYTNFD-UHFFFAOYSA-N 1 0 403.486 3.832 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461217308 982929367 /nfs/dbraw/zinc/92/93/67/982929367.db2.gz HGXUXCIUARIUNC-DHIUTWEWSA-N 1 0 405.542 3.915 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438653571 982971077 /nfs/dbraw/zinc/97/10/77/982971077.db2.gz RPXVKJGRWNRPDY-UHFFFAOYSA-N 1 0 406.408 3.839 20 30 HHEDRO CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438661794 982980048 /nfs/dbraw/zinc/98/00/48/982980048.db2.gz AQRIZXGVRNWLII-QFBILLFUSA-N 1 0 424.932 3.834 20 30 HHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 ZINC000461301156 983001145 /nfs/dbraw/zinc/00/11/45/983001145.db2.gz ZLEYYVMIERSWKQ-XLIONFOSSA-N 1 0 418.570 3.990 20 30 HHEDRO Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000438748514 983042928 /nfs/dbraw/zinc/04/29/28/983042928.db2.gz BSUZYODRRNVDLV-UHFFFAOYSA-N 1 0 422.529 3.728 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000438765339 983056414 /nfs/dbraw/zinc/05/64/14/983056414.db2.gz SBQJTGXQEYXFNR-UHFFFAOYSA-N 1 0 421.541 3.703 20 30 HHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCSCc2ccccc2C#N)CC1 ZINC000438865404 983130438 /nfs/dbraw/zinc/13/04/38/983130438.db2.gz GIRUEJAKKDGIHH-GOSISDBHSA-N 1 0 423.586 3.711 20 30 HHEDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000438950189 983173464 /nfs/dbraw/zinc/17/34/64/983173464.db2.gz FYTCUZNLDJCVRT-UHFFFAOYSA-N 1 0 412.877 3.845 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000439231428 983320994 /nfs/dbraw/zinc/32/09/94/983320994.db2.gz BDMBMZDWWOPENR-SFHVURJKSA-N 1 0 417.962 3.744 20 30 HHEDRO C=CCCO[C@H](C)C(=O)N(CC(C)(C)C[NH+](C)C)c1ccc(Br)cn1 ZINC000439295655 983350438 /nfs/dbraw/zinc/35/04/38/983350438.db2.gz HXZSGNCFGHNKME-OAHLLOKOSA-N 1 0 412.372 3.746 20 30 HHEDRO N#Cc1ccc(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000439447975 983413598 /nfs/dbraw/zinc/41/35/98/983413598.db2.gz GKPUWAMBPHDNSA-HXUWFJFHSA-N 1 0 409.965 3.641 20 30 HHEDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000439493607 983428926 /nfs/dbraw/zinc/42/89/26/983428926.db2.gz MZDHGHBJJSORAS-APWZRJJASA-N 1 0 414.600 3.530 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000439882621 983568410 /nfs/dbraw/zinc/56/84/10/983568410.db2.gz KKMYHWXXZISAHM-UHFFFAOYSA-N 1 0 422.529 3.723 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000439979406 983603181 /nfs/dbraw/zinc/60/31/81/983603181.db2.gz LZFHULSAAXIMTH-HKKHYUGTSA-N 1 0 410.562 3.681 20 30 HHEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]2CCCC[C@H]12 ZINC000439979702 983603593 /nfs/dbraw/zinc/60/35/93/983603593.db2.gz MOYUVZABGIVWMC-BHEBFOIGSA-N 1 0 416.591 3.742 20 30 HHEDRO CC1CC[NH+]([C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)c2cccs2)CC1 ZINC000440056002 983627065 /nfs/dbraw/zinc/62/70/65/983627065.db2.gz WLBVCFSMHPPNEK-LJQANCHMSA-N 1 0 421.563 3.651 20 30 HHEDRO C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000440077389 983634816 /nfs/dbraw/zinc/63/48/16/983634816.db2.gz LVRQBBRIQAERDE-GCJKJVERSA-N 1 0 423.536 3.983 20 30 HHEDRO CCCc1c(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cnn1-c1cccc(C#N)c1 ZINC000440088820 983639739 /nfs/dbraw/zinc/63/97/39/983639739.db2.gz BMDSJMJPMNQVKV-UHFFFAOYSA-N 1 0 421.545 3.670 20 30 HHEDRO CN(C(=O)N[C@H](CCC#N)c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000440252200 983698024 /nfs/dbraw/zinc/69/80/24/983698024.db2.gz FSXNDLAKHLUYHW-HSZRJFAPSA-N 1 0 405.546 3.775 20 30 HHEDRO CS[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@H]1[NH+]1CCCC1 ZINC000440652042 983839284 /nfs/dbraw/zinc/83/92/84/983839284.db2.gz WMAAZCUYJSNRFT-IAGOWNOFSA-N 1 0 417.376 3.885 20 30 HHEDRO N#Cc1cnc2c(Br)cccc2c1N1CCN(Cc2ccncc2)CC1 ZINC000440662098 983843238 /nfs/dbraw/zinc/84/32/38/983843238.db2.gz KRVXKJOHUZITMO-UHFFFAOYSA-N 1 0 408.303 3.586 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2CO)sc2c1CCCCC2 ZINC000440909877 983966517 /nfs/dbraw/zinc/96/65/17/983966517.db2.gz GSRYDCWSYPTXRE-FQEVSTJZSA-N 1 0 409.555 3.809 20 30 HHEDRO COc1cc(C#N)ccc1OCCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440935358 983988376 /nfs/dbraw/zinc/98/83/76/983988376.db2.gz KTVSFZTYORBJNY-IBGZPJMESA-N 1 0 419.481 3.586 20 30 HHEDRO N#Cc1cccc([C@H]2CN(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CCO2)c1 ZINC000441019022 984025244 /nfs/dbraw/zinc/02/52/44/984025244.db2.gz IDJXQCJOIAVCJH-JOCHJYFZSA-N 1 0 410.562 3.687 20 30 HHEDRO C=CCN(Cc1ccn(-c2ccc(F)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441319902 984180598 /nfs/dbraw/zinc/18/05/98/984180598.db2.gz WWEUYRARBALFBE-KRWDZBQOSA-N 1 0 403.465 3.736 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@]3(CO)CCOc4ccccc43)c2)c1 ZINC000441360330 984207770 /nfs/dbraw/zinc/20/77/70/984207770.db2.gz RSMCBAWXFZPCLO-RUZDIDTESA-N 1 0 400.478 3.897 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441401832 984232726 /nfs/dbraw/zinc/23/27/26/984232726.db2.gz GRRFRIIINIQKER-LQWHRVPQSA-N 1 0 412.603 3.968 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000441411915 984238130 /nfs/dbraw/zinc/23/81/30/984238130.db2.gz OGNVIQPHJHKRPV-LAUBAEHRSA-N 1 0 400.954 3.535 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000441695274 984400735 /nfs/dbraw/zinc/40/07/35/984400735.db2.gz XKPUJTCTMPBAMH-LLGFUMIMSA-N 1 0 424.570 3.684 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)CC1 ZINC000441821198 984477124 /nfs/dbraw/zinc/47/71/24/984477124.db2.gz KSLBODRDZFDNHX-UHFFFAOYSA-N 1 0 414.575 3.689 20 30 HHEDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000442003143 984589069 /nfs/dbraw/zinc/58/90/69/984589069.db2.gz SEKKAVSFBYQFRS-UHFFFAOYSA-N 1 0 420.513 3.670 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCO2)C[C@@H]1C ZINC000461675922 984693063 /nfs/dbraw/zinc/69/30/63/984693063.db2.gz ZYFYPYROJUTNSU-YUXAGFNASA-N 1 0 422.577 3.695 20 30 HHEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3ccc(F)cc3C#N)c2)CC1 ZINC000442215495 984734418 /nfs/dbraw/zinc/73/44/18/984734418.db2.gz NJBYVEVUDUEHHM-UHFFFAOYSA-N 1 0 408.477 3.549 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(OCC)cc3)cc2)CC1 ZINC000442283498 984789587 /nfs/dbraw/zinc/78/95/87/984789587.db2.gz FYKJCBOUFFJPDT-UHFFFAOYSA-N 1 0 423.513 3.583 20 30 HHEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCCO1 ZINC000461843291 984852718 /nfs/dbraw/zinc/85/27/18/984852718.db2.gz SICOPPPYQRUBKB-QFIPXVFZSA-N 1 0 422.577 3.555 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cccc(OCCCC#N)c3)CC2)c1 ZINC000461885442 984909474 /nfs/dbraw/zinc/90/94/74/984909474.db2.gz FETFORGOMQFDEE-UHFFFAOYSA-N 1 0 406.530 3.828 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000461937035 984941660 /nfs/dbraw/zinc/94/16/60/984941660.db2.gz SNKXWFIDOBCXFR-HNAYVOBHSA-N 1 0 419.957 3.615 20 30 HHEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000462006186 984985546 /nfs/dbraw/zinc/98/55/46/984985546.db2.gz VLSGTKQHAXXVIJ-LJQANCHMSA-N 1 0 417.340 3.887 20 30 HHEDRO CC[NH+](CC)CCCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462087843 985059521 /nfs/dbraw/zinc/05/95/21/985059521.db2.gz KDWNFEAILRCCNA-UHFFFAOYSA-N 1 0 409.538 3.505 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000462090717 985061631 /nfs/dbraw/zinc/06/16/31/985061631.db2.gz XAKCWIAJQOSBFB-GOSISDBHSA-N 1 0 421.549 3.647 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000462190523 985172701 /nfs/dbraw/zinc/17/27/01/985172701.db2.gz LXHYKBOFEZWFQB-MBSDFSHPSA-N 1 0 412.493 3.996 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccc1C#N ZINC000442853688 985247109 /nfs/dbraw/zinc/24/71/09/985247109.db2.gz VDBWRUCZWVKQCF-FQEVSTJZSA-N 1 0 415.497 3.922 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443136612 985399744 /nfs/dbraw/zinc/39/97/44/985399744.db2.gz XMOKUULDDPJOJR-AEFFLSMTSA-N 1 0 417.962 3.885 20 30 HHEDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000462486094 985441444 /nfs/dbraw/zinc/44/14/44/985441444.db2.gz QAJATGVYUJIUIP-OAQYLSRUSA-N 1 0 408.502 3.626 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)ccc1OC ZINC000462759869 985699215 /nfs/dbraw/zinc/69/92/15/985699215.db2.gz YYFUUZXSCDHIFD-VSKRKVRLSA-N 1 0 406.526 3.897 20 30 HHEDRO Cc1ccc([C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCCC2)cc1 ZINC000462801453 985734090 /nfs/dbraw/zinc/73/40/90/985734090.db2.gz IRZBWXQYIYAIAZ-JOCHJYFZSA-N 1 0 401.470 4.572 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000462807408 985738450 /nfs/dbraw/zinc/73/84/50/985738450.db2.gz AYKMQOXFIHZJLH-QVKFZJNVSA-N 1 0 406.555 3.803 20 30 HHEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)ccc1C#N ZINC000463038661 985997607 /nfs/dbraw/zinc/99/76/07/985997607.db2.gz YZNCRWIBFRONQP-AWEZNQCLSA-N 1 0 419.319 3.941 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000463203104 986174732 /nfs/dbraw/zinc/17/47/32/986174732.db2.gz JKADYILHQIIMJX-DNVJHFABSA-N 1 0 413.562 3.738 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC000468479530 986175424 /nfs/dbraw/zinc/17/54/24/986175424.db2.gz OWPVAIZMPAPPIT-NRFANRHFSA-N 1 0 407.562 3.931 20 30 HHEDRO Cc1noc(C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2)n1 ZINC000463242567 986211409 /nfs/dbraw/zinc/21/14/09/986211409.db2.gz JSQWWJQRRXBHHX-QHCPKHFHSA-N 1 0 401.514 3.788 20 30 HHEDRO N#CCCCn1cc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000444135236 986326612 /nfs/dbraw/zinc/32/66/12/986326612.db2.gz ASCZQQLPACUSCU-UHFFFAOYSA-N 1 0 408.546 3.520 20 30 HHEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000463433854 986409196 /nfs/dbraw/zinc/40/91/96/986409196.db2.gz ZATDTPLRVSHQGO-AZUAARDMSA-N 1 0 400.592 3.550 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@](CO)(Cc3ccccc3)C1)CCC2 ZINC000463457384 986437984 /nfs/dbraw/zinc/43/79/84/986437984.db2.gz VJHQBSKNPRSMPB-DEOSSOPVSA-N 1 0 423.582 3.754 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1C#N ZINC000444454423 986637222 /nfs/dbraw/zinc/63/72/22/986637222.db2.gz NRSFOCILRVOWER-UHFFFAOYSA-N 1 0 422.554 3.762 20 30 HHEDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H](C)O1 ZINC000469007911 986713333 /nfs/dbraw/zinc/71/33/33/986713333.db2.gz NMKYNGQEHRYRHO-AQNXPRMDSA-N 1 0 408.546 3.659 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000463772825 986763643 /nfs/dbraw/zinc/76/36/43/986763643.db2.gz AZQBYISLSUVMSL-KRWDZBQOSA-N 1 0 400.544 3.964 20 30 HHEDRO CC(C)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCC1 ZINC000444771515 986931593 /nfs/dbraw/zinc/93/15/93/986931593.db2.gz PNSQLCHPKZYRMQ-LJQANCHMSA-N 1 0 412.578 3.867 20 30 HHEDRO C=CC[C@H]1[N@H+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CCCC1(C)C ZINC000444774006 986932040 /nfs/dbraw/zinc/93/20/40/986932040.db2.gz HDWCYIQUCCFTTD-TZIWHRDSSA-N 1 0 403.611 3.550 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000444806738 986962778 /nfs/dbraw/zinc/96/27/78/986962778.db2.gz WZOUWWAEXWRFGO-SJORKVTESA-N 1 0 409.452 3.776 20 30 HHEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000469255237 986974574 /nfs/dbraw/zinc/97/45/74/986974574.db2.gz NXGSRDFIKJLDTL-UGSOOPFHSA-N 1 0 414.303 3.785 20 30 HHEDRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccccc3C#Cc3ccccc3)CC2)CC1 ZINC000444862796 987019544 /nfs/dbraw/zinc/01/95/44/987019544.db2.gz VWUZKBRAZKMSRX-UHFFFAOYSA-N 1 0 416.569 3.767 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)C2)n1 ZINC000469352046 987054304 /nfs/dbraw/zinc/05/43/04/987054304.db2.gz WLSKKNXJZXBUMW-NQIIRXRSSA-N 1 0 419.529 3.502 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1 ZINC000469429445 987116379 /nfs/dbraw/zinc/11/63/79/987116379.db2.gz DHRISEGSVYHEJG-SIKLNZKXSA-N 1 0 410.562 3.812 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000469584280 987249986 /nfs/dbraw/zinc/24/99/86/987249986.db2.gz FBNXCIBCKFWGQQ-KRWDZBQOSA-N 1 0 411.525 3.811 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000469599377 987264554 /nfs/dbraw/zinc/26/45/54/987264554.db2.gz TUDJRBGEKSHABC-QGZVFWFLSA-N 1 0 422.529 3.690 20 30 HHEDRO Cc1cc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)ccc1Br ZINC000469776977 987426437 /nfs/dbraw/zinc/42/64/37/987426437.db2.gz UNGQJIIDIFIACA-OAHLLOKOSA-N 1 0 404.352 3.888 20 30 HHEDRO N#Cc1cccc(OCCCCC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000469861182 987498827 /nfs/dbraw/zinc/49/88/27/987498827.db2.gz WKFRDVNBCFYBPS-QFIPXVFZSA-N 1 0 423.582 3.841 20 30 HHEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000470043985 987932323 /nfs/dbraw/zinc/93/23/23/987932323.db2.gz HBEMHCIBZVBOHB-MRXNPFEDSA-N 1 0 413.905 3.533 20 30 HHEDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000470051382 987941411 /nfs/dbraw/zinc/94/14/11/987941411.db2.gz REIYIAXVPDTTTF-INIZCTEOSA-N 1 0 413.905 3.533 20 30 HHEDRO COC(=O)[C@@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000470135211 988040037 /nfs/dbraw/zinc/04/00/37/988040037.db2.gz SKYCILMTXZCLGY-DEOSSOPVSA-N 1 0 402.498 3.684 20 30 HHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000470216314 988142128 /nfs/dbraw/zinc/14/21/28/988142128.db2.gz RBYAOWOHXXJXGS-NRFANRHFSA-N 1 0 403.526 3.941 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470217417 988144318 /nfs/dbraw/zinc/14/43/18/988144318.db2.gz ZIBLBNZOPVSXTD-UEXGIBASSA-N 1 0 402.970 3.924 20 30 HHEDRO COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1 ZINC000470219932 988147733 /nfs/dbraw/zinc/14/77/33/988147733.db2.gz OBXGLLCHXKTKNJ-KKSFZXQISA-N 1 0 413.905 3.727 20 30 HHEDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2=O)ccc1Br ZINC000464087912 988209162 /nfs/dbraw/zinc/20/91/62/988209162.db2.gz NGSNCMKJYIGWIB-KRWDZBQOSA-N 1 0 404.333 3.976 20 30 HHEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464135974 988256756 /nfs/dbraw/zinc/25/67/56/988256756.db2.gz KIQCILOXPRGXEJ-SFHVURJKSA-N 1 0 422.577 3.797 20 30 HHEDRO C[C@@H]1CCCN(c2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccn2)C1 ZINC000464287689 988409813 /nfs/dbraw/zinc/40/98/13/988409813.db2.gz WYTGXLQPBLICSQ-HXUWFJFHSA-N 1 0 417.557 3.606 20 30 HHEDRO CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)CC1 ZINC000470532663 988536128 /nfs/dbraw/zinc/53/61/28/988536128.db2.gz YARMKSDTDIDVQW-DNQXCXABSA-N 1 0 402.542 3.740 20 30 HHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 ZINC000470623617 988638939 /nfs/dbraw/zinc/63/89/39/988638939.db2.gz VUBNUFGQJJRLAP-UHFFFAOYSA-N 1 0 418.501 3.734 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000470728670 988758458 /nfs/dbraw/zinc/75/84/58/988758458.db2.gz WZPBXWVYYXIRLV-ISKFKSNPSA-N 1 0 416.525 3.593 20 30 HHEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000464773009 988997868 /nfs/dbraw/zinc/99/78/68/988997868.db2.gz KHVACMLIRCQUQD-QZTJIDSGSA-N 1 0 406.596 3.558 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000470932897 989002602 /nfs/dbraw/zinc/00/26/02/989002602.db2.gz PISTXMUWMBCXEO-XMMPIXPASA-N 1 0 400.526 3.933 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(C(=O)OC)sc1C ZINC000464783833 989012842 /nfs/dbraw/zinc/01/28/42/989012842.db2.gz RCASURNHEKZILU-UHFFFAOYSA-N 1 0 420.604 3.941 20 30 HHEDRO Cc1ccc([C@H]2CC[N@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012621 989081814 /nfs/dbraw/zinc/08/18/14/989081814.db2.gz RJEISHRDROYLMO-RBBKRZOGSA-N 1 0 422.598 3.563 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000464842573 989089272 /nfs/dbraw/zinc/08/92/72/989089272.db2.gz JBZJCJCOZCANLZ-ZJSXRUAMSA-N 1 0 424.585 3.760 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1C#N ZINC000464846868 989097526 /nfs/dbraw/zinc/09/75/26/989097526.db2.gz BESPBGYDBUJCRA-UGKGYDQZSA-N 1 0 424.520 3.603 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000464854984 989107667 /nfs/dbraw/zinc/10/76/67/989107667.db2.gz HNHQUEBJJIFHNZ-KDURUIRLSA-N 1 0 407.514 3.888 20 30 HHEDRO COCCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464930344 989215693 /nfs/dbraw/zinc/21/56/93/989215693.db2.gz FWBOZRDABHELRG-UHFFFAOYSA-N 1 0 407.514 3.890 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000471225738 989368888 /nfs/dbraw/zinc/36/88/88/989368888.db2.gz DXQZOTXSWQHOMR-HTAPYJJXSA-N 1 0 407.562 3.566 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000471316834 989476403 /nfs/dbraw/zinc/47/64/03/989476403.db2.gz JUVNVLVTDGGLNN-UHFFFAOYSA-N 1 0 410.906 3.697 20 30 HHEDRO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000465153288 989482937 /nfs/dbraw/zinc/48/29/37/989482937.db2.gz GBPACRIRWUMHEZ-KKSFZXQISA-N 1 0 405.502 3.661 20 30 HHEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000465158932 989489346 /nfs/dbraw/zinc/48/93/46/989489346.db2.gz YGOAUFQNNHWWIA-IBGZPJMESA-N 1 0 419.529 3.910 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465182811 989517859 /nfs/dbraw/zinc/51/78/59/989517859.db2.gz HQDLZXHXGHGGAO-SFHVURJKSA-N 1 0 423.561 3.706 20 30 HHEDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000465256534 989608236 /nfs/dbraw/zinc/60/82/36/989608236.db2.gz LFLKUFKJHVBYQO-UHFFFAOYSA-N 1 0 416.591 3.516 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(N2C(=O)CCCC2=O)c1)C(C)C ZINC000471466440 989658423 /nfs/dbraw/zinc/65/84/23/989658423.db2.gz WRABCOAAXIQZMS-FQEVSTJZSA-N 1 0 412.534 3.550 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000471489275 989685895 /nfs/dbraw/zinc/68/58/95/989685895.db2.gz SHPGCVVFXNUBFN-IBGZPJMESA-N 1 0 416.529 3.578 20 30 HHEDRO COC(=O)c1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)cc1C ZINC000471856142 990028694 /nfs/dbraw/zinc/02/86/94/990028694.db2.gz JINKFDGRYFKCKA-UHFFFAOYSA-N 1 0 408.502 3.557 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1c1ccccc1 ZINC000471956794 990121549 /nfs/dbraw/zinc/12/15/49/990121549.db2.gz GDULFOCPFIJWEI-GHTZIAJQSA-N 1 0 420.904 3.964 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@@H]1c1ccccc1 ZINC000471957432 990122484 /nfs/dbraw/zinc/12/24/84/990122484.db2.gz VFLMFPKFEZXESX-RXVVDRJESA-N 1 0 420.904 3.964 20 30 HHEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000471958530 990124064 /nfs/dbraw/zinc/12/40/64/990124064.db2.gz NJYJZKKCNKTSTP-UHFFFAOYSA-N 1 0 400.914 3.737 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000465802298 990183924 /nfs/dbraw/zinc/18/39/24/990183924.db2.gz BOKUEHBGEVAFRP-FGZHOGPDSA-N 1 0 406.530 3.608 20 30 HHEDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)Nc2cccc(C#N)c2)CC1 ZINC000466068819 991240707 /nfs/dbraw/zinc/24/07/07/991240707.db2.gz OEXFIOVKKPBJHL-UHFFFAOYSA-N 1 0 417.435 3.651 20 30 HHEDRO Cc1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000466256835 991501205 /nfs/dbraw/zinc/50/12/05/991501205.db2.gz QSGHRHDFGQPOEA-HSZRJFAPSA-N 1 0 422.529 3.799 20 30 HHEDRO CC(C)[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000466593539 991909082 /nfs/dbraw/zinc/90/90/82/991909082.db2.gz QVRAXERODXOWIH-NRFANRHFSA-N 1 0 421.545 3.969 20 30 HHEDRO CN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000466603117 991919461 /nfs/dbraw/zinc/91/94/61/991919461.db2.gz AJGPZQZMRHTEED-FQEVSTJZSA-N 1 0 407.518 3.892 20 30 HHEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466618255 991934576 /nfs/dbraw/zinc/93/45/76/991934576.db2.gz LFYNFRMRWDOCAB-QGZVFWFLSA-N 1 0 408.506 3.506 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ncccc1OCCCC#N ZINC000466621670 991937618 /nfs/dbraw/zinc/93/76/18/991937618.db2.gz SUACFQYTYINCOA-RBUKOAKNSA-N 1 0 407.518 3.891 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466647836 991962523 /nfs/dbraw/zinc/96/25/23/991962523.db2.gz JRANORQCTPEWPA-UHFFFAOYSA-N 1 0 416.472 3.789 20 30 HHEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000467121248 992435314 /nfs/dbraw/zinc/43/53/14/992435314.db2.gz VXIOWJLBILHDLE-NRFANRHFSA-N 1 0 408.546 3.712 20 30 HHEDRO C[C@H]1CCc2ccccc2N1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000467529619 992807262 /nfs/dbraw/zinc/80/72/62/992807262.db2.gz BOLDFTCHGPJOPG-FQEVSTJZSA-N 1 0 404.558 3.680 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000467546021 992825303 /nfs/dbraw/zinc/82/53/03/992825303.db2.gz JOPMAOAKCGBSGZ-UHFFFAOYSA-N 1 0 420.557 3.853 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)c1 ZINC000467597263 992869088 /nfs/dbraw/zinc/86/90/88/992869088.db2.gz SUQCCSLQPJCFSB-PKTZIBPZSA-N 1 0 417.509 3.573 20 30 HHEDRO Cc1c2cc(F)ccc2oc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000472106452 993157139 /nfs/dbraw/zinc/15/71/39/993157139.db2.gz RBEBVUXSQLLMDU-UHFFFAOYSA-N 1 0 415.490 3.505 20 30 HHEDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000472422052 993419350 /nfs/dbraw/zinc/41/93/50/993419350.db2.gz WEIUMHPZPMSBOR-UHFFFAOYSA-N 1 0 407.514 3.510 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000472440167 993443511 /nfs/dbraw/zinc/44/35/11/993443511.db2.gz WNBGAOAHAVPQPP-OALUTQOASA-N 1 0 408.546 3.754 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000472609585 993560343 /nfs/dbraw/zinc/56/03/43/993560343.db2.gz HSIZQDADBPTIIG-HNNXBMFYSA-N 1 0 412.509 3.669 20 30 HHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000480743030 993609555 /nfs/dbraw/zinc/60/95/55/993609555.db2.gz FQDNBYSWYVNMGE-PXNSSMCTSA-N 1 0 401.919 3.517 20 30 HHEDRO COCCCNC(=O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000472747735 993680951 /nfs/dbraw/zinc/68/09/51/993680951.db2.gz HIGGKKFHHMQQFR-UHFFFAOYSA-N 1 0 419.569 3.751 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000472846671 993780942 /nfs/dbraw/zinc/78/09/42/993780942.db2.gz ILSZCHJXVRVZEU-UHFFFAOYSA-N 1 0 404.558 3.576 20 30 HHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccccc1C#Cc1ccccc1 ZINC000472890146 993816865 /nfs/dbraw/zinc/81/68/65/993816865.db2.gz ULNSZNBXGYYPLR-UHFFFAOYSA-N 1 0 403.526 3.853 20 30 HHEDRO C[C@@H]([NH2+]C1(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CCCC1)c1ccccc1 ZINC000481059583 993901433 /nfs/dbraw/zinc/90/14/33/993901433.db2.gz NUGPPNGAIDHXNV-QGZVFWFLSA-N 1 0 415.534 3.780 20 30 HHEDRO N#Cc1ccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c(F)c1 ZINC000481074723 993913805 /nfs/dbraw/zinc/91/38/05/993913805.db2.gz RPHBAEFLLACTTG-UHFFFAOYSA-N 1 0 415.534 3.693 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC[N@@H+](C)C2CCCCC2)nnc1-c1ccco1 ZINC000481154980 993988302 /nfs/dbraw/zinc/98/83/02/993988302.db2.gz IQQHHCJNPJEIHB-UHFFFAOYSA-N 1 0 417.579 3.587 20 30 HHEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000481169845 994001422 /nfs/dbraw/zinc/00/14/22/994001422.db2.gz JDRRPDFRWUGIIY-JXALWOEJSA-N 1 0 422.548 3.961 20 30 HHEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000481393948 994224519 /nfs/dbraw/zinc/22/45/19/994224519.db2.gz SCDFZEHYDHKKTD-UHFFFAOYSA-N 1 0 409.538 3.614 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000481484607 994317192 /nfs/dbraw/zinc/31/71/92/994317192.db2.gz LDEFCFIJWSYWBW-LAUBAEHRSA-N 1 0 412.509 3.526 20 30 HHEDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000481705645 994566440 /nfs/dbraw/zinc/56/64/40/994566440.db2.gz VBUYTWQRELGQAM-QHCPKHFHSA-N 1 0 416.566 3.988 20 30 HHEDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC000481705644 994566664 /nfs/dbraw/zinc/56/66/64/994566664.db2.gz VBUYTWQRELGQAM-HSZRJFAPSA-N 1 0 416.566 3.988 20 30 HHEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000481834092 994684181 /nfs/dbraw/zinc/68/41/81/994684181.db2.gz BIKZHWSCIUXIHL-LJQANCHMSA-N 1 0 414.347 3.890 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481891305 994760040 /nfs/dbraw/zinc/76/00/40/994760040.db2.gz JQUGBAWAAGVYQW-WWPVKYPJSA-N 1 0 403.526 3.839 20 30 HHEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000482009541 994913898 /nfs/dbraw/zinc/91/38/98/994913898.db2.gz UTXHBPSKMLZLRF-QRWLVFNGSA-N 1 0 401.432 3.899 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000473988204 994976095 /nfs/dbraw/zinc/97/60/95/994976095.db2.gz SFQNLMNGZDKXOF-NFBKMPQASA-N 1 0 409.530 3.646 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000482132853 995083020 /nfs/dbraw/zinc/08/30/20/995083020.db2.gz IQQUVDIHWGFLLU-FQEVSTJZSA-N 1 0 408.546 3.899 20 30 HHEDRO Cc1oc(NC(=O)C[NH2+][C@H](CN2CCc3ccccc3C2)C(C)(C)C)c(C#N)c1C ZINC000482136365 995086160 /nfs/dbraw/zinc/08/61/60/995086160.db2.gz PIABXQRIVXTNSQ-OAQYLSRUSA-N 1 0 408.546 3.769 20 30 HHEDRO Cc1oc(NC(=O)C[NH2+][C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c(C#N)c1C ZINC000482136364 995086287 /nfs/dbraw/zinc/08/62/87/995086287.db2.gz PIABXQRIVXTNSQ-NRFANRHFSA-N 1 0 408.546 3.769 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474209993 995204812 /nfs/dbraw/zinc/20/48/12/995204812.db2.gz KOPCDCHPZFGGFC-QHCPKHFHSA-N 1 0 409.555 3.544 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000474231044 995226922 /nfs/dbraw/zinc/22/69/22/995226922.db2.gz LWZAANUXRPVDKF-HSZRJFAPSA-N 1 0 404.558 3.756 20 30 HHEDRO COc1ccc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cc1OCCCC#N ZINC000482480619 995486386 /nfs/dbraw/zinc/48/63/86/995486386.db2.gz CCDDCZCBLOSSDA-UHFFFAOYSA-N 1 0 409.534 3.685 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000474575541 995537019 /nfs/dbraw/zinc/53/70/19/995537019.db2.gz MPBVUHLSQDEZMC-SCLBCKFNSA-N 1 0 411.449 3.547 20 30 HHEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000474578242 995539218 /nfs/dbraw/zinc/53/92/18/995539218.db2.gz LEQZPUBEUNJWPC-SCLBCKFNSA-N 1 0 411.449 3.547 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000474578240 995539788 /nfs/dbraw/zinc/53/97/88/995539788.db2.gz LEQZPUBEUNJWPC-FZKQIMNGSA-N 1 0 411.449 3.547 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000482558347 995565029 /nfs/dbraw/zinc/56/50/29/995565029.db2.gz UTIPDRIBUDGULX-QZTJIDSGSA-N 1 0 418.541 3.600 20 30 HHEDRO N#CC1(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000482570984 995575305 /nfs/dbraw/zinc/57/53/05/995575305.db2.gz ALVGZBRZOVJOPF-UHFFFAOYSA-N 1 0 403.461 3.504 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)C[C@@H](CC#N)c3ccccc3)CC2)c1 ZINC000474782424 995708331 /nfs/dbraw/zinc/70/83/31/995708331.db2.gz GQFUTRXOARIRCZ-HSZRJFAPSA-N 1 0 404.558 3.711 20 30 HHEDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000474792244 995712732 /nfs/dbraw/zinc/71/27/32/995712732.db2.gz VBDCEBBUOXOQQQ-LJQANCHMSA-N 1 0 422.598 3.606 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@H](CC#N)c3ccccc3)cc2)CC1 ZINC000474906361 995792325 /nfs/dbraw/zinc/79/23/25/995792325.db2.gz OHLWQWMEOOTIJU-DEOSSOPVSA-N 1 0 404.558 3.528 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000474981372 995843225 /nfs/dbraw/zinc/84/32/25/995843225.db2.gz SHEJEXAHSCEXPE-UHFFFAOYSA-N 1 0 409.321 3.878 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1C ZINC000482948885 995874523 /nfs/dbraw/zinc/87/45/23/995874523.db2.gz UOKMGFKTWUZKIV-UHFFFAOYSA-N 1 0 407.562 3.932 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1 ZINC000483035335 995933138 /nfs/dbraw/zinc/93/31/38/995933138.db2.gz JGLIVOXGOOMHFN-XMMPIXPASA-N 1 0 424.545 3.804 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000475131736 995943002 /nfs/dbraw/zinc/94/30/02/995943002.db2.gz VTLISPIOIXAJLM-IBGZPJMESA-N 1 0 411.468 3.829 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000475221098 996005552 /nfs/dbraw/zinc/00/55/52/996005552.db2.gz TUAPSIFPMRQZBJ-RUZDIDTESA-N 1 0 418.541 3.635 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000483178600 996021070 /nfs/dbraw/zinc/02/10/70/996021070.db2.gz MSBCXIWFWHEOGE-VJBMBRPKSA-N 1 0 405.542 3.762 20 30 HHEDRO C=C(C)[C@@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000483315044 996093907 /nfs/dbraw/zinc/09/39/07/996093907.db2.gz NAXBLZMQTVCCDK-FYYLOGMGSA-N 1 0 415.484 3.518 20 30 HHEDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000475406852 996119665 /nfs/dbraw/zinc/11/96/65/996119665.db2.gz KVDLYEVTPGCBQW-LAUBAEHRSA-N 1 0 408.498 3.777 20 30 HHEDRO C[C@H](NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000483443248 996182256 /nfs/dbraw/zinc/18/22/56/996182256.db2.gz LEKRWMOIHFKWJM-FQEVSTJZSA-N 1 0 420.557 3.990 20 30 HHEDRO CC[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000483984177 996505879 /nfs/dbraw/zinc/50/58/79/996505879.db2.gz SKKCAKKFGBABEA-HXUWFJFHSA-N 1 0 412.509 3.628 20 30 HHEDRO C[N@H+](CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)Cc1ccc(F)cc1 ZINC000484031974 996532261 /nfs/dbraw/zinc/53/22/61/996532261.db2.gz ORXPQKLPTGIWMH-UHFFFAOYSA-N 1 0 415.353 3.784 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000484302243 996689855 /nfs/dbraw/zinc/68/98/55/996689855.db2.gz PNQNDFKEGBEWKX-KRWDZBQOSA-N 1 0 412.534 3.738 20 30 HHEDRO CC(C)(CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C[NH+]1CCCC1 ZINC000484339804 996714032 /nfs/dbraw/zinc/71/40/32/996714032.db2.gz OMUOOJYMNZGSPX-UHFFFAOYSA-N 1 0 400.914 3.641 20 30 HHEDRO CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000476469711 996946363 /nfs/dbraw/zinc/94/63/63/996946363.db2.gz HEOPGGGSPQINLA-JRFVFWCSSA-N 1 0 410.606 3.870 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1C#N ZINC000484613691 996946697 /nfs/dbraw/zinc/94/66/97/996946697.db2.gz BBEBGTTVPARGTN-YADHBBJMSA-N 1 0 416.529 3.874 20 30 HHEDRO C[NH+](C)C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000476495068 996980573 /nfs/dbraw/zinc/98/05/73/996980573.db2.gz XPTVBMDDZUZRIH-LZBANZJXSA-N 1 0 406.530 3.850 20 30 HHEDRO CC[NH+]1CCN(c2ccc(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(C)c2)CC1 ZINC000484986156 997348769 /nfs/dbraw/zinc/34/87/69/997348769.db2.gz HGDMOQINJZRGJT-DEOSSOPVSA-N 1 0 417.557 3.616 20 30 HHEDRO COc1ccc2c(c1NC(=O)N1CCC[N@H+](Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000484992367 997354345 /nfs/dbraw/zinc/35/43/45/997354345.db2.gz CYSHPKYOIMYVHE-UHFFFAOYSA-N 1 0 404.514 3.795 20 30 HHEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2NC1=O ZINC000485349742 997770733 /nfs/dbraw/zinc/77/07/33/997770733.db2.gz SADQESXNNYAHFL-JHVJFLLYSA-N 1 0 418.497 3.514 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1OC ZINC000485370597 997796098 /nfs/dbraw/zinc/79/60/98/997796098.db2.gz FKYYWKWXKPSTTN-UHFFFAOYSA-N 1 0 417.535 3.702 20 30 HHEDRO CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485432870 997872093 /nfs/dbraw/zinc/87/20/93/997872093.db2.gz IXFVKWSGLLAMGY-LJQANCHMSA-N 1 0 413.905 3.904 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)CC1 ZINC000485603896 998050391 /nfs/dbraw/zinc/05/03/91/998050391.db2.gz HJXIBMNNIAUFQX-UHFFFAOYSA-N 1 0 408.271 3.623 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)CNc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477485257 998206412 /nfs/dbraw/zinc/20/64/12/998206412.db2.gz OUAUGCWMYDYRGB-IERDGZPVSA-N 1 0 400.885 3.572 20 30 HHEDRO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1)CC(F)(F)F ZINC000477713454 998435018 /nfs/dbraw/zinc/43/50/18/998435018.db2.gz DPEGGOFGOHQRHK-NRGCRIOASA-N 1 0 416.532 3.512 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1)CC(F)(F)F ZINC000477745560 998487894 /nfs/dbraw/zinc/48/78/94/998487894.db2.gz REQPQPPDPUFFBW-LJQANCHMSA-N 1 0 424.511 3.756 20 30 HHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000477875906 998623036 /nfs/dbraw/zinc/62/30/36/998623036.db2.gz JUCDJHAYJRELLM-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000477948342 998675566 /nfs/dbraw/zinc/67/55/66/998675566.db2.gz UWCHFFCEAAPPTD-LJQANCHMSA-N 1 0 407.411 3.798 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)c1 ZINC000478073294 998749354 /nfs/dbraw/zinc/74/93/54/998749354.db2.gz TUTMNQVIUWXQPE-SFHVURJKSA-N 1 0 401.551 3.597 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[N@H+](C)Cc1ccccc1 ZINC000478143477 998784093 /nfs/dbraw/zinc/78/40/93/998784093.db2.gz JOHOCNHXCPQDKE-ZWKOTPCHSA-N 1 0 424.570 3.514 20 30 HHEDRO Cn1cc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000478202527 998820385 /nfs/dbraw/zinc/82/03/85/998820385.db2.gz IJUUXNZYEDGMLQ-UHFFFAOYSA-N 1 0 400.511 3.810 20 30 HHEDRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000478275449 998858524 /nfs/dbraw/zinc/85/85/24/998858524.db2.gz QAWVABJAHQYKIL-SFHVURJKSA-N 1 0 400.530 3.669 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000478310314 998879026 /nfs/dbraw/zinc/87/90/26/998879026.db2.gz FUWSSRMHQUTAGP-HSZRJFAPSA-N 1 0 421.545 3.526 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486821986 998955862 /nfs/dbraw/zinc/95/58/62/998955862.db2.gz NTZGMNMYTMCLAD-MFSJNOQSSA-N 1 0 406.530 3.679 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000486939844 999012954 /nfs/dbraw/zinc/01/29/54/999012954.db2.gz GWAHBBYFBSVXQC-KTKRTIGZSA-N 1 0 422.514 3.769 20 30 HHEDRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000478746959 999119798 /nfs/dbraw/zinc/11/97/98/999119798.db2.gz FMZDCUCDDRNKRR-UHFFFAOYSA-N 1 0 417.553 3.797 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000479040156 999261565 /nfs/dbraw/zinc/26/15/65/999261565.db2.gz BJUAGLADAVUMBN-FQEVSTJZSA-N 1 0 405.498 3.677 20 30 HHEDRO N#Cc1ccc(C(=O)Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000487716230 999263331 /nfs/dbraw/zinc/26/33/31/999263331.db2.gz FFLSLWAVNYNDQA-UHFFFAOYSA-N 1 0 417.538 3.632 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000479197908 999322434 /nfs/dbraw/zinc/32/24/34/999322434.db2.gz ZGNVSTZAXDYZRQ-VXKWHMMOSA-N 1 0 419.525 3.848 20 30 HHEDRO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000487966169 999330602 /nfs/dbraw/zinc/33/06/02/999330602.db2.gz IBWRZNKWFRLMRR-MRXNPFEDSA-N 1 0 413.319 3.964 20 30 HHEDRO N#Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Br ZINC000487986952 999337999 /nfs/dbraw/zinc/33/79/99/999337999.db2.gz VWFNDOASUZDRAE-INIZCTEOSA-N 1 0 403.280 3.872 20 30 HHEDRO C/C=C/c1ccc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000479236609 999338291 /nfs/dbraw/zinc/33/82/91/999338291.db2.gz BHUZFFXSZVKZNY-XVNBXDOJSA-N 1 0 419.525 3.782 20 30 HHEDRO CSc1ccc(O[C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479252044 999347661 /nfs/dbraw/zinc/34/76/61/999347661.db2.gz UMTAJBGOQMWFBE-GOSISDBHSA-N 1 0 409.555 3.850 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000488031561 999353516 /nfs/dbraw/zinc/35/35/16/999353516.db2.gz LMQVCZRIOFVEHU-IERDGZPVSA-N 1 0 414.912 3.539 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000488031567 999353618 /nfs/dbraw/zinc/35/36/18/999353618.db2.gz LMQVCZRIOFVEHU-IIBYNOLFSA-N 1 0 414.912 3.539 20 30 HHEDRO C[N@H+](CCN1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1)Cc1ccccc1 ZINC000488175162 999402450 /nfs/dbraw/zinc/40/24/50/999402450.db2.gz HPJYLRSVJCHFHM-UHFFFAOYSA-N 1 0 421.495 3.639 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)Cc3cccc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000488308245 999433382 /nfs/dbraw/zinc/43/33/82/999433382.db2.gz UKPVRJJUBKPQQN-XZOQPEGZSA-N 1 0 404.514 3.686 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000488332720 999444461 /nfs/dbraw/zinc/44/44/61/999444461.db2.gz TWFPCYRZUQWAKJ-DLBZAZTESA-N 1 0 402.564 3.798 20 30 HHEDRO C=CCc1cc(C[N@H+](CCO)Cc2cccc(Br)c2)cc(OC)c1O ZINC000488399912 999475268 /nfs/dbraw/zinc/47/52/68/999475268.db2.gz RLUISNGHWQZUOE-UHFFFAOYSA-N 1 0 406.320 3.886 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000479586026 999490800 /nfs/dbraw/zinc/49/08/00/999490800.db2.gz BSCGDCJOYGRVQD-UHFFFAOYSA-N 1 0 421.566 3.894 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(-c2ccco2)n1 ZINC000479591136 999492716 /nfs/dbraw/zinc/49/27/16/999492716.db2.gz LSOVPBABZXVULG-UHFFFAOYSA-N 1 0 409.515 3.548 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)cc2)nc1 ZINC000479604026 999496881 /nfs/dbraw/zinc/49/68/81/999496881.db2.gz FMYXBZCDLZGYJW-UHFFFAOYSA-N 1 0 413.481 3.535 20 30 HHEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488476809 999500629 /nfs/dbraw/zinc/50/06/29/999500629.db2.gz MEJOOUOJZCLMGD-YWZLYKJASA-N 1 0 417.538 3.837 20 30 HHEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000488482792 999502998 /nfs/dbraw/zinc/50/29/98/999502998.db2.gz SDSISISGYNZVSB-KKSFZXQISA-N 1 0 424.932 3.628 20 30 HHEDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000479635395 999512727 /nfs/dbraw/zinc/51/27/27/999512727.db2.gz BSMFXUNGWCBJGS-HXUWFJFHSA-N 1 0 409.555 3.532 20 30 HHEDRO CC(C)(C)Oc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000488549623 999524567 /nfs/dbraw/zinc/52/45/67/999524567.db2.gz RLRUOZXMUVBLBX-UHFFFAOYSA-N 1 0 421.545 3.548 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC(=O)Nc1ccccc1C ZINC000488556429 999526962 /nfs/dbraw/zinc/52/69/62/999526962.db2.gz CRUXPLKHRIHSLJ-UHFFFAOYSA-N 1 0 413.591 3.922 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000479834386 999617730 /nfs/dbraw/zinc/61/77/30/999617730.db2.gz BERLDAAJIOIKSH-LJQANCHMSA-N 1 0 424.570 3.945 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Oc1ccccc1C#N ZINC000488872871 999633312 /nfs/dbraw/zinc/63/33/12/999633312.db2.gz BNWAEVYPRKOHKH-SFHVURJKSA-N 1 0 405.498 3.676 20 30 HHEDRO COc1ccc(C2(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000479886286 999636431 /nfs/dbraw/zinc/63/64/31/999636431.db2.gz JJZBBKLAJGDQEL-UHFFFAOYSA-N 1 0 416.525 3.805 20 30 HHEDRO COc1ccccc1N1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000479921046 999649384 /nfs/dbraw/zinc/64/93/84/999649384.db2.gz SKZPSKHFSJNDPR-UHFFFAOYSA-N 1 0 401.514 3.726 20 30 HHEDRO Cc1nccn1-c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000479947456 999658950 /nfs/dbraw/zinc/65/89/50/999658950.db2.gz IDLQYIZOBFUDMI-UHFFFAOYSA-N 1 0 400.461 3.882 20 30 HHEDRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000480026328 999692068 /nfs/dbraw/zinc/69/20/68/999692068.db2.gz OJUWKYNXOBDYHW-LJQANCHMSA-N 1 0 401.514 3.583 20 30 HHEDRO C=CCCCS(=O)(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000489100811 999699528 /nfs/dbraw/zinc/69/95/28/999699528.db2.gz JGDHZGIACUINCM-UHFFFAOYSA-N 1 0 404.498 3.898 20 30 HHEDRO Cn1cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000480075704 999710317 /nfs/dbraw/zinc/71/03/17/999710317.db2.gz VSKRNYHSGMEVPH-SFHVURJKSA-N 1 0 405.889 3.507 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000480296775 999765056 /nfs/dbraw/zinc/76/50/56/999765056.db2.gz BKKSEOSHFOQIRC-QVKFZJNVSA-N 1 0 406.465 3.696 20 30 HHEDRO C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000480296779 999765372 /nfs/dbraw/zinc/76/53/72/999765372.db2.gz BKKSEOSHFOQIRC-YCRPNKLZSA-N 1 0 406.465 3.696 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000480378470 999784271 /nfs/dbraw/zinc/78/42/71/999784271.db2.gz SQBHCTWPGLBGSW-JTSKRJEESA-N 1 0 410.518 3.705 20 30 HHEDRO C[N@H+](CCNC(=O)C1CCN(Cc2ccc(Cl)cc2C#N)CC1)Cc1ccccc1 ZINC000480565749 999828071 /nfs/dbraw/zinc/82/80/71/999828071.db2.gz HCQBISLONRAYJI-UHFFFAOYSA-N 1 0 424.976 3.672 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3SCCc4ccccc43)CC2)cc1 ZINC000489969210 999870741 /nfs/dbraw/zinc/87/07/41/999870741.db2.gz VSDYKBNAJLZUJL-QHCPKHFHSA-N 1 0 420.582 3.806 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C(=O)Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000490004078 999876279 /nfs/dbraw/zinc/87/62/79/999876279.db2.gz LITJVZVLNWFADL-QFIPXVFZSA-N 1 0 420.488 3.543 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000490370695 999946454 /nfs/dbraw/zinc/94/64/54/999946454.db2.gz NAEPVRUYXOOSOI-MRXNPFEDSA-N 1 0 424.932 3.698 20 30 HHEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[C@H]2C1 ZINC000490396561 999950780 /nfs/dbraw/zinc/95/07/80/999950780.db2.gz DLOJWGQRNRHEBJ-REWPJTCUSA-N 1 0 404.514 3.890 20 30 HHEDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000490621183 999985490 /nfs/dbraw/zinc/98/54/90/999985490.db2.gz HEBIQRCVSJUVFM-ZDUSSCGKSA-N 1 0 404.565 3.554 20 30 HHEDRO C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797116 1000007495 /nfs/dbraw/zinc/00/74/95/1000007495.db2.gz NSLJEZJRWHOYAN-KNQAVFIVSA-N 1 0 418.541 3.694 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)CC1 ZINC000491319901 1000064794 /nfs/dbraw/zinc/06/47/94/1000064794.db2.gz FLMWYFJZXVFMSY-UHFFFAOYSA-N 1 0 410.518 3.560 20 30 HHEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000491501877 1000079662 /nfs/dbraw/zinc/07/96/62/1000079662.db2.gz DCCMXZAUPXDOPG-GOSISDBHSA-N 1 0 414.456 3.846 20 30 HHEDRO CCN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000492096820 1000109349 /nfs/dbraw/zinc/10/93/49/1000109349.db2.gz ZUNWRBVQCHVIEU-LJQANCHMSA-N 1 0 405.542 3.986 20 30 HHEDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c2ccccc2C1 ZINC000492250785 1000118129 /nfs/dbraw/zinc/11/81/29/1000118129.db2.gz GSJAHGLKEYQQBN-REWPJTCUSA-N 1 0 406.505 3.749 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)C2=O)cc1 ZINC000492351449 1000122931 /nfs/dbraw/zinc/12/29/31/1000122931.db2.gz MSOGEUXIDAKRRP-GOSISDBHSA-N 1 0 417.435 3.606 20 30 HHEDRO C=CCn1c(SCC[NH+]2CCC(C)CC2)nnc1[C@@H]1COc2ccccc2O1 ZINC000492555607 1000132197 /nfs/dbraw/zinc/13/21/97/1000132197.db2.gz DKTJBMGDVRJOMW-IBGZPJMESA-N 1 0 400.548 3.801 20 30 HHEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493661478 1000183613 /nfs/dbraw/zinc/18/36/13/1000183613.db2.gz SZNKYFQUZUPFIS-INIZCTEOSA-N 1 0 415.419 3.878 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC1 ZINC000493836210 1000196657 /nfs/dbraw/zinc/19/66/57/1000196657.db2.gz OZCSBJCMAZUMBW-RTBURBONSA-N 1 0 412.361 3.633 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC1 ZINC000493836208 1000196701 /nfs/dbraw/zinc/19/67/01/1000196701.db2.gz OZCSBJCMAZUMBW-OALUTQOASA-N 1 0 412.361 3.633 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)c2)c1 ZINC000504575669 1000277609 /nfs/dbraw/zinc/27/76/09/1000277609.db2.gz QFFDCCICMSEDQD-DEOSSOPVSA-N 1 0 405.542 3.681 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)C2)n1 ZINC000494079129 1000297849 /nfs/dbraw/zinc/29/78/49/1000297849.db2.gz MWQDUWMGSPPFHQ-NRFANRHFSA-N 1 0 411.594 3.591 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CC2)cc1 ZINC000504729081 1000344109 /nfs/dbraw/zinc/34/41/09/1000344109.db2.gz HSCBVFDCEPKSLD-UHFFFAOYSA-N 1 0 421.566 3.791 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)c(F)c1 ZINC000505147925 1000577649 /nfs/dbraw/zinc/57/76/49/1000577649.db2.gz DSIZCFBJUCYIMT-QFIPXVFZSA-N 1 0 424.520 3.850 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+]2CCCC2)cc1 ZINC000505169168 1000592583 /nfs/dbraw/zinc/59/25/83/1000592583.db2.gz IZZVZPWCZMYPQO-JOCHJYFZSA-N 1 0 407.489 3.691 20 30 HHEDRO C[N@H+](CCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000505222591 1000628418 /nfs/dbraw/zinc/62/84/18/1000628418.db2.gz GOKNAQAHXKPSQO-UHFFFAOYSA-N 1 0 400.542 3.685 20 30 HHEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494753314 1000635447 /nfs/dbraw/zinc/63/54/47/1000635447.db2.gz XVOZLSQVBPLUDL-LVCYWYKZSA-N 1 0 412.578 3.867 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)c(F)c1 ZINC000505236037 1000637392 /nfs/dbraw/zinc/63/73/92/1000637392.db2.gz SXCLWNBHUZEWTG-QHCPKHFHSA-N 1 0 420.532 3.867 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cc(C#N)ccc3Cl)CC2)c1 ZINC000505274634 1000662995 /nfs/dbraw/zinc/66/29/95/1000662995.db2.gz USUDXWVCBWYFFR-UHFFFAOYSA-N 1 0 410.949 3.852 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505283961 1000669677 /nfs/dbraw/zinc/66/96/77/1000669677.db2.gz CDZWCKFYDVDQAE-UHFFFAOYSA-N 1 0 410.562 3.782 20 30 HHEDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000494819514 1000676785 /nfs/dbraw/zinc/67/67/85/1000676785.db2.gz AVHZDXIODKAUPO-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(C)C ZINC000505312509 1000693744 /nfs/dbraw/zinc/69/37/44/1000693744.db2.gz QVCLPCHEGBKGPV-UHFFFAOYSA-N 1 0 422.529 3.866 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)C[C@H](C)O1 ZINC000505325464 1000702999 /nfs/dbraw/zinc/70/29/99/1000702999.db2.gz IITWTTACLODLBX-HDICACEKSA-N 1 0 423.532 3.901 20 30 HHEDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C ZINC000505329163 1000705677 /nfs/dbraw/zinc/70/56/77/1000705677.db2.gz LSKVECCTMNHQGC-UHFFFAOYSA-N 1 0 422.529 3.866 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](C)CC12CCCCC2 ZINC000494891761 1000715018 /nfs/dbraw/zinc/71/50/18/1000715018.db2.gz KDKUOIXSGQMPGE-GOSISDBHSA-N 1 0 400.592 3.970 20 30 HHEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@@H](C)C(C)C ZINC000495006382 1000775200 /nfs/dbraw/zinc/77/52/00/1000775200.db2.gz REYZYRUFXARHMU-ZWKOTPCHSA-N 1 0 400.567 3.722 20 30 HHEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OCC ZINC000495131742 1000870995 /nfs/dbraw/zinc/87/09/95/1000870995.db2.gz ZBJKUPLRPVEEHF-SJLPKXTDSA-N 1 0 409.368 3.939 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000505593847 1000925827 /nfs/dbraw/zinc/92/58/27/1000925827.db2.gz OIFQUBTXIJIKJF-SFTDATJTSA-N 1 0 413.468 3.584 20 30 HHEDRO CC(C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000505617573 1000936590 /nfs/dbraw/zinc/93/65/90/1000936590.db2.gz ZRMWNJDWFUZYRX-QHCPKHFHSA-N 1 0 405.517 3.928 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505672431 1000968076 /nfs/dbraw/zinc/96/80/76/1000968076.db2.gz JFDHBWOLVDOSFJ-UGKGYDQZSA-N 1 0 405.542 3.771 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000505799233 1001032463 /nfs/dbraw/zinc/03/24/63/1001032463.db2.gz NWMUAXQXXMQGLR-KOSHJBKYSA-N 1 0 413.562 3.796 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1C ZINC000505817473 1001041739 /nfs/dbraw/zinc/04/17/39/1001041739.db2.gz BWQGPGBRLGROOE-UHFFFAOYSA-N 1 0 411.469 3.914 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1OC ZINC000505912464 1001096482 /nfs/dbraw/zinc/09/64/82/1001096482.db2.gz MZAFFAYIBSVQJW-LJQANCHMSA-N 1 0 408.477 3.762 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000496125490 1001128266 /nfs/dbraw/zinc/12/82/66/1001128266.db2.gz BUXSVVGBBLMQIW-PZJWPPBQSA-N 1 0 421.541 3.607 20 30 HHEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000506180581 1001264056 /nfs/dbraw/zinc/26/40/56/1001264056.db2.gz XSCVCEMLPVNMND-UHFFFAOYSA-N 1 0 421.541 3.738 20 30 HHEDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nn1-c1cccc(C#N)c1 ZINC000506204624 1001277402 /nfs/dbraw/zinc/27/74/02/1001277402.db2.gz GRDXFVMCJZHSOU-NRFANRHFSA-N 1 0 405.546 3.637 20 30 HHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000506212348 1001281622 /nfs/dbraw/zinc/28/16/22/1001281622.db2.gz YETKVWBDXOZKRJ-UHFFFAOYSA-N 1 0 401.514 3.776 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000497393560 1001332177 /nfs/dbraw/zinc/33/21/77/1001332177.db2.gz YEJQNMIAAOCRJJ-QZTJIDSGSA-N 1 0 405.608 3.526 20 30 HHEDRO N#Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)o1 ZINC000497401258 1001339642 /nfs/dbraw/zinc/33/96/42/1001339642.db2.gz YXFCXCIKRMONOO-UHFFFAOYSA-N 1 0 400.482 3.768 20 30 HHEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)CC2)nc1 ZINC000497489273 1001397131 /nfs/dbraw/zinc/39/71/31/1001397131.db2.gz NOZQZWSNBCBIHO-UHFFFAOYSA-N 1 0 411.509 3.771 20 30 HHEDRO Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccc1OCC[NH+]1CCCC1 ZINC000506472605 1001427724 /nfs/dbraw/zinc/42/77/24/1001427724.db2.gz FYMXGZRUEXAZRD-QHCPKHFHSA-N 1 0 415.534 3.670 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC3CC[NH+](CC4CCCC4)CC3)CC2)c1 ZINC000497564476 1001437362 /nfs/dbraw/zinc/43/73/62/1001437362.db2.gz OSJDCSKEAFXPCA-UHFFFAOYSA-N 1 0 410.562 3.766 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000497690782 1001486426 /nfs/dbraw/zinc/48/64/26/1001486426.db2.gz YKYHKENYYDCCRH-SFHVURJKSA-N 1 0 414.525 3.672 20 30 HHEDRO C[C@H](SCC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000497888329 1001551393 /nfs/dbraw/zinc/55/13/93/1001551393.db2.gz CVQUVQYXQVJMNO-KRWDZBQOSA-N 1 0 421.570 3.819 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(=O)NC1CCCC1)C(C)C ZINC000497928722 1001568707 /nfs/dbraw/zinc/56/87/07/1001568707.db2.gz WSXHMLVABOCHAE-HXUWFJFHSA-N 1 0 419.639 3.668 20 30 HHEDRO CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000498028573 1001612272 /nfs/dbraw/zinc/61/22/72/1001612272.db2.gz CIDUQUVKRSAXPL-PZJWPPBQSA-N 1 0 420.557 3.892 20 30 HHEDRO C[NH+]1CCC(C)(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000506955300 1001727554 /nfs/dbraw/zinc/72/75/54/1001727554.db2.gz OSOJJXJAXIHAIE-UHFFFAOYSA-N 1 0 416.576 3.555 20 30 HHEDRO CCOC(=O)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)sc2c1CCCC2 ZINC000506988547 1001749455 /nfs/dbraw/zinc/74/94/55/1001749455.db2.gz JIHPYKQTCOMBPU-UHFFFAOYSA-N 1 0 406.552 3.503 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000498373720 1001804492 /nfs/dbraw/zinc/80/44/92/1001804492.db2.gz OYRLBYWDKGYQKX-XLIONFOSSA-N 1 0 407.562 3.931 20 30 HHEDRO CCC(CC)[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000498388463 1001817958 /nfs/dbraw/zinc/81/79/58/1001817958.db2.gz DWMONQJFBXTRMI-FCHUYYIVSA-N 1 0 400.567 3.615 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000507284519 1001968217 /nfs/dbraw/zinc/96/82/17/1001968217.db2.gz OFJPTQCLPIUHKG-ZIAGYGMSSA-N 1 0 417.497 3.612 20 30 HHEDRO C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(C#N)c1 ZINC000507286931 1001971370 /nfs/dbraw/zinc/97/13/70/1001971370.db2.gz WDNLSCBZXCJBBV-YKSBVNFPSA-N 1 0 417.553 3.707 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000507423095 1002063536 /nfs/dbraw/zinc/06/35/36/1002063536.db2.gz QOJVNLRJWIEXHR-NYVOZVTQSA-N 1 0 418.497 3.963 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000498873041 1002259592 /nfs/dbraw/zinc/25/95/92/1002259592.db2.gz CPJLRVUGQUNDQQ-LJQANCHMSA-N 1 0 405.523 3.578 20 30 HHEDRO N#CC1(CS(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)CCCC1 ZINC000498883946 1002271187 /nfs/dbraw/zinc/27/11/87/1002271187.db2.gz NNLFEDALYSDGAU-UHFFFAOYSA-N 1 0 409.983 3.652 20 30 HHEDRO CC(C)(C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000507681559 1002275420 /nfs/dbraw/zinc/27/54/20/1002275420.db2.gz BLLGBBVGCWJJBF-UHFFFAOYSA-N 1 0 422.548 3.694 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3nnc(C4CC4)[nH]3)C1)CCCC2 ZINC000498910072 1002303721 /nfs/dbraw/zinc/30/37/21/1002303721.db2.gz BUXFPAGJEPRJHX-OAHLLOKOSA-N 1 0 424.574 3.702 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000507794280 1002348867 /nfs/dbraw/zinc/34/88/67/1002348867.db2.gz OSOYFVHMPDGEFD-KRWDZBQOSA-N 1 0 423.395 3.900 20 30 HHEDRO Cc1c(NC(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000507848553 1002387423 /nfs/dbraw/zinc/38/74/23/1002387423.db2.gz VZEYHCSCCQMMAQ-UHFFFAOYSA-N 1 0 408.458 3.647 20 30 HHEDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507848536 1002387625 /nfs/dbraw/zinc/38/76/25/1002387625.db2.gz VVTSBMDTKOYLLB-UHFFFAOYSA-N 1 0 408.458 3.647 20 30 HHEDRO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507850829 1002389534 /nfs/dbraw/zinc/38/95/34/1002389534.db2.gz YWTSKPNQYMTKDJ-SHTLVRLNSA-N 1 0 422.525 3.883 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)ccc1F ZINC000499061041 1002444735 /nfs/dbraw/zinc/44/47/35/1002444735.db2.gz YELNGPRGLNMWAP-UHFFFAOYSA-N 1 0 404.283 3.664 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)cc1 ZINC000508040711 1002562530 /nfs/dbraw/zinc/56/25/30/1002562530.db2.gz BGQIPNAIMKFBBW-UHFFFAOYSA-N 1 0 409.534 3.863 20 30 HHEDRO N#Cc1ccc(CSCC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc1 ZINC000508070586 1002593080 /nfs/dbraw/zinc/59/30/80/1002593080.db2.gz LOZCIYUJDIRDCY-UHFFFAOYSA-N 1 0 409.555 3.634 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000508108006 1002633369 /nfs/dbraw/zinc/63/33/69/1002633369.db2.gz ZFNAYZYKNSQKSZ-UHFFFAOYSA-N 1 0 400.486 3.552 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000508163815 1002701410 /nfs/dbraw/zinc/70/14/10/1002701410.db2.gz YSAHZUOEKRCQLI-WOJBJXKFSA-N 1 0 412.578 3.869 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000508245779 1002768879 /nfs/dbraw/zinc/76/88/79/1002768879.db2.gz HQGSHIXYXSMERR-UHFFFAOYSA-N 1 0 418.541 3.776 20 30 HHEDRO C=CCOc1ccc(CNC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000508400912 1002889860 /nfs/dbraw/zinc/88/98/60/1002889860.db2.gz HWHOWHXFPCWANI-JOCHJYFZSA-N 1 0 408.546 3.843 20 30 HHEDRO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508479845 1002963859 /nfs/dbraw/zinc/96/38/59/1002963859.db2.gz BXUPNEMSPSZEKB-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000508489941 1002972785 /nfs/dbraw/zinc/97/27/85/1002972785.db2.gz PEWDXCXHUVKRFM-UHFFFAOYSA-N 1 0 409.578 3.768 20 30 HHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000508492658 1002975030 /nfs/dbraw/zinc/97/50/30/1002975030.db2.gz KCXWGKUIMSSQHE-HSZRJFAPSA-N 1 0 415.541 3.505 20 30 HHEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC000508503691 1002984950 /nfs/dbraw/zinc/98/49/50/1002984950.db2.gz HLHDCQQDKWVMGP-NRFANRHFSA-N 1 0 422.621 3.701 20 30 HHEDRO N#CC1(CCC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)CCOCC1 ZINC000499620454 1002989614 /nfs/dbraw/zinc/98/96/14/1002989614.db2.gz SUBDLCGHCXDPPS-HXUWFJFHSA-N 1 0 421.545 3.942 20 30 HHEDRO CCC[NH+]1CCC(CNC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000499662246 1003021416 /nfs/dbraw/zinc/02/14/16/1003021416.db2.gz GATVQWOCSRDWLN-UHFFFAOYSA-N 1 0 407.562 3.932 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)o1 ZINC000508646909 1003093835 /nfs/dbraw/zinc/09/38/35/1003093835.db2.gz VTULIFBTDQHATC-QFIPXVFZSA-N 1 0 422.529 3.850 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508719370 1003159906 /nfs/dbraw/zinc/15/99/06/1003159906.db2.gz VWERSLZHTAWUPU-INIZCTEOSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508749754 1003185411 /nfs/dbraw/zinc/18/54/11/1003185411.db2.gz XDHUWYUTWQZEJN-IBGZPJMESA-N 1 0 424.549 3.988 20 30 HHEDRO C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508791365 1003219852 /nfs/dbraw/zinc/21/98/52/1003219852.db2.gz APGPSEYACYNKHD-LAUBAEHRSA-N 1 0 423.561 3.601 20 30 HHEDRO CCC[C@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000499890823 1003225603 /nfs/dbraw/zinc/22/56/03/1003225603.db2.gz AKJZHTQKBLCKGJ-ROUUACIJSA-N 1 0 404.580 3.903 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508807988 1003234860 /nfs/dbraw/zinc/23/48/60/1003234860.db2.gz FUMHRRRFHKYYKB-UNMCSNQZSA-N 1 0 407.562 3.634 20 30 HHEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508816467 1003241356 /nfs/dbraw/zinc/24/13/56/1003241356.db2.gz ITZJOAJKUUJDKK-JOCHJYFZSA-N 1 0 412.541 3.961 20 30 HHEDRO C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000508833140 1003254698 /nfs/dbraw/zinc/25/46/98/1003254698.db2.gz NUMJJDZPSBNDLZ-UHFFFAOYSA-N 1 0 422.621 3.688 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508845949 1003267202 /nfs/dbraw/zinc/26/72/02/1003267202.db2.gz DTDWTJFDJLFFLL-PMACEKPBSA-N 1 0 424.593 3.550 20 30 HHEDRO C=CCn1c(COc2ccccc2F)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508861721 1003282054 /nfs/dbraw/zinc/28/20/54/1003282054.db2.gz BNLLSOAPGIFVCB-PXNSSMCTSA-N 1 0 411.525 3.635 20 30 HHEDRO C=CCn1c(-c2ccc(OCCCC)c(OC)c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508862966 1003283463 /nfs/dbraw/zinc/28/34/63/1003283463.db2.gz GVNHTSPRNAVHOX-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508864371 1003284268 /nfs/dbraw/zinc/28/42/68/1003284268.db2.gz OENQJHYDVRIQMV-KRWDZBQOSA-N 1 0 407.518 3.567 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508876551 1003296433 /nfs/dbraw/zinc/29/64/33/1003296433.db2.gz YDEQBFUXKBXGAY-IBGZPJMESA-N 1 0 403.534 3.586 20 30 HHEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508876812 1003297260 /nfs/dbraw/zinc/29/72/60/1003297260.db2.gz YWCQAYYWKSJPTM-INIZCTEOSA-N 1 0 405.493 3.901 20 30 HHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000508887902 1003313847 /nfs/dbraw/zinc/31/38/47/1003313847.db2.gz LJHSMMPRDNPKAU-UHFFFAOYSA-N 1 0 403.530 3.770 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000508908843 1003349190 /nfs/dbraw/zinc/34/91/90/1003349190.db2.gz WDOVGKCYYXMUKT-SIKLNZKXSA-N 1 0 409.578 3.696 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000508913547 1003352823 /nfs/dbraw/zinc/35/28/23/1003352823.db2.gz PIJDEUFFLBTZFZ-GHTZIAJQSA-N 1 0 413.566 3.779 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508918211 1003356178 /nfs/dbraw/zinc/35/61/78/1003356178.db2.gz LXKHSOFCIHAMNU-LJQANCHMSA-N 1 0 418.545 3.726 20 30 HHEDRO C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508921104 1003360553 /nfs/dbraw/zinc/36/05/53/1003360553.db2.gz KLUPVGYAMOWRAI-UHFFFAOYSA-N 1 0 417.561 3.772 20 30 HHEDRO C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508935700 1003381518 /nfs/dbraw/zinc/38/15/18/1003381518.db2.gz OLIYKPFPTSFIMR-YLJYHZDGSA-N 1 0 423.561 3.601 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508940679 1003390971 /nfs/dbraw/zinc/39/09/71/1003390971.db2.gz ZEUBBEQGPADMQL-QGZVFWFLSA-N 1 0 401.942 3.858 20 30 HHEDRO C=CCn1c(CCc2ccco2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508951713 1003407678 /nfs/dbraw/zinc/40/76/78/1003407678.db2.gz NMSMHVIXKUMISP-NRFANRHFSA-N 1 0 405.546 3.801 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508994396 1003465602 /nfs/dbraw/zinc/46/56/02/1003465602.db2.gz HADVPNDVAOFOTD-QGZVFWFLSA-N 1 0 401.942 3.858 20 30 HHEDRO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1)C1CC1 ZINC000509049638 1003514555 /nfs/dbraw/zinc/51/45/55/1003514555.db2.gz SKRMUSFFDMKLCU-FQEVSTJZSA-N 1 0 404.352 3.611 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(OC)c2OC2CCCC2)CC1 ZINC000500833339 1003989846 /nfs/dbraw/zinc/98/98/46/1003989846.db2.gz HKDXCOKWUQTANV-UHFFFAOYSA-N 1 0 401.551 3.856 20 30 HHEDRO CC(C)C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[NH2+][C@H](C)c1ccccc1 ZINC000500916125 1004049961 /nfs/dbraw/zinc/04/99/61/1004049961.db2.gz FWKUNZOWMZTCCB-DYESRHJHSA-N 1 0 417.550 3.882 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512147552 1004056967 /nfs/dbraw/zinc/05/69/67/1004056967.db2.gz LELQMBUHGTWOIV-GCJKJVERSA-N 1 0 419.573 3.522 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000512189132 1004090566 /nfs/dbraw/zinc/09/05/66/1004090566.db2.gz HTKSJBYQFLAVFL-ISKFKSNPSA-N 1 0 405.517 3.873 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000512196130 1004097419 /nfs/dbraw/zinc/09/74/19/1004097419.db2.gz MAPZPIRUJOJGMX-VWLOTQADSA-N 1 0 405.517 3.875 20 30 HHEDRO Cc1nccn1CCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501046173 1004147281 /nfs/dbraw/zinc/14/72/81/1004147281.db2.gz LLYPTLGDNPPQEU-FQEVSTJZSA-N 1 0 416.367 3.617 20 30 HHEDRO C[N@@H+]1CCCC[C@H]1CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501065952 1004168550 /nfs/dbraw/zinc/16/85/50/1004168550.db2.gz BLGHQTPLBBEIDV-PMACEKPBSA-N 1 0 405.384 3.506 20 30 HHEDRO CCOC(=O)C(C)(C)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000510096409 1004320700 /nfs/dbraw/zinc/32/07/00/1004320700.db2.gz AVOSHMDCOZMFGU-QGZVFWFLSA-N 1 0 417.525 3.762 20 30 HHEDRO C=CCn1c(Cc2ccccc2)nnc1SC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000512504324 1004347348 /nfs/dbraw/zinc/34/73/48/1004347348.db2.gz QHDCFHHTXZMWDM-JOCHJYFZSA-N 1 0 420.582 3.566 20 30 HHEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000510240735 1004418331 /nfs/dbraw/zinc/41/83/31/1004418331.db2.gz HQYMJTUSOWGWGU-UHFFFAOYSA-N 1 0 420.561 3.675 20 30 HHEDRO N#Cc1ccc(CSc2nnc(NC(=O)NCCC[NH+]3CCCCC3)s2)cc1 ZINC000510246590 1004422810 /nfs/dbraw/zinc/42/28/10/1004422810.db2.gz SZBSTEOGJYZDSW-UHFFFAOYSA-N 1 0 416.576 3.700 20 30 HHEDRO CC(C)n1ncc2cc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cnc21 ZINC000512622300 1004436494 /nfs/dbraw/zinc/43/64/94/1004436494.db2.gz LKDGBFSSZFQBKD-UHFFFAOYSA-N 1 0 402.502 3.735 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 ZINC000512625874 1004438083 /nfs/dbraw/zinc/43/80/83/1004438083.db2.gz QSICBBWWUHUPSS-NFBKMPQASA-N 1 0 419.573 3.535 20 30 HHEDRO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000512637013 1004449541 /nfs/dbraw/zinc/44/95/41/1004449541.db2.gz QPMDPWVWCVOLGY-MRXNPFEDSA-N 1 0 415.534 3.811 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000510385803 1004526767 /nfs/dbraw/zinc/52/67/67/1004526767.db2.gz DHMDFLPJIVYIMV-JOCHJYFZSA-N 1 0 406.530 3.925 20 30 HHEDRO N#Cc1ccc(C[NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000512818027 1004577800 /nfs/dbraw/zinc/57/78/00/1004577800.db2.gz YQXFCNISCVUZDK-UHFFFAOYSA-N 1 0 402.464 3.879 20 30 HHEDRO Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)c2cc1C ZINC000512822884 1004582293 /nfs/dbraw/zinc/58/22/93/1004582293.db2.gz IKLPCZUKIYNVPY-LJQANCHMSA-N 1 0 422.504 3.568 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000510509375 1004631331 /nfs/dbraw/zinc/63/13/31/1004631331.db2.gz VWQIHBKEFZUITO-HXUWFJFHSA-N 1 0 408.502 3.924 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1C ZINC000501836561 1004767640 /nfs/dbraw/zinc/76/76/40/1004767640.db2.gz KTAVZHQMZZETMI-UHFFFAOYSA-N 1 0 422.548 3.897 20 30 HHEDRO COC(=O)C[C@](C)([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Br)cc1 ZINC000513127942 1004821997 /nfs/dbraw/zinc/82/19/97/1004821997.db2.gz MUPSICTUVSUIMN-IBGZPJMESA-N 1 0 423.351 3.918 20 30 HHEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000510762059 1004837458 /nfs/dbraw/zinc/83/74/58/1004837458.db2.gz GZPAZJRVTRZOPO-ZNMIVQPWSA-N 1 0 412.456 3.987 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000513202454 1004858922 /nfs/dbraw/zinc/85/89/22/1004858922.db2.gz WGGCIGLMQDNOSZ-QGZVFWFLSA-N 1 0 410.480 3.932 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000502028055 1004870100 /nfs/dbraw/zinc/87/01/00/1004870100.db2.gz CSRPDPQSFRBRGF-UHFFFAOYSA-N 1 0 416.525 3.645 20 30 HHEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000513241051 1004876829 /nfs/dbraw/zinc/87/68/29/1004876829.db2.gz GLGVQNSIJBEWKD-GIVPXCGWSA-N 1 0 408.571 3.540 20 30 HHEDRO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000510872138 1004903516 /nfs/dbraw/zinc/90/35/16/1004903516.db2.gz NLYBLQWKCOKPOH-IBGZPJMESA-N 1 0 418.541 3.558 20 30 HHEDRO COCCOc1cc(C)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000510875727 1004904881 /nfs/dbraw/zinc/90/48/81/1004904881.db2.gz DWPVOBUGWLMHNH-UHFFFAOYSA-N 1 0 422.529 3.632 20 30 HHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000502106868 1004905830 /nfs/dbraw/zinc/90/58/30/1004905830.db2.gz DZEJOGDHRJHVRK-QGZVFWFLSA-N 1 0 402.514 3.515 20 30 HHEDRO CCN(C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000502200579 1004954418 /nfs/dbraw/zinc/95/44/18/1004954418.db2.gz YJMCTKPQENZTEV-SFHVURJKSA-N 1 0 404.514 3.650 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000510964971 1004956742 /nfs/dbraw/zinc/95/67/42/1004956742.db2.gz FNVBYOFSYWJFTH-UHFFFAOYSA-N 1 0 421.545 3.594 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000513465389 1004978537 /nfs/dbraw/zinc/97/85/37/1004978537.db2.gz OYXLCPKEBSRVSS-NRFANRHFSA-N 1 0 408.521 3.938 20 30 HHEDRO C=CCn1c(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccoc1C ZINC000513516441 1005000436 /nfs/dbraw/zinc/00/04/36/1005000436.db2.gz WPSNPJYJNUASIU-LJQANCHMSA-N 1 0 410.543 3.544 20 30 HHEDRO C=C(C)CN(CC)C(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000502408533 1005062845 /nfs/dbraw/zinc/06/28/45/1005062845.db2.gz UPGCNEZLIIVEIY-UHFFFAOYSA-N 1 0 412.500 3.825 20 30 HHEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000513722832 1005096516 /nfs/dbraw/zinc/09/65/16/1005096516.db2.gz AFPXKZYEHOAREF-UHFFFAOYSA-N 1 0 421.541 3.756 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000502523692 1005101522 /nfs/dbraw/zinc/10/15/22/1005101522.db2.gz YDCLMSPHHKJCMR-QGZVFWFLSA-N 1 0 408.502 3.588 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000513765340 1005115388 /nfs/dbraw/zinc/11/53/88/1005115388.db2.gz BSZHWEAMLBTYDK-UHFFFAOYSA-N 1 0 406.530 3.915 20 30 HHEDRO C[C@@H]1CCC[C@H]([N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000513959647 1005203267 /nfs/dbraw/zinc/20/32/67/1005203267.db2.gz QUPXAWFSTHKLNF-ODNSNXTGSA-N 1 0 411.546 3.850 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC000511542374 1005216970 /nfs/dbraw/zinc/21/69/70/1005216970.db2.gz OJDOMCZIMIPDRL-HXUWFJFHSA-N 1 0 403.404 3.814 20 30 HHEDRO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000511636907 1005254859 /nfs/dbraw/zinc/25/48/59/1005254859.db2.gz YOSYNPAYDOFPML-UHFFFAOYSA-N 1 0 422.548 3.689 20 30 HHEDRO C[C@H]1C[C@@H](CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[N@@H+]1Cc1ccccc1 ZINC000511745774 1005304706 /nfs/dbraw/zinc/30/47/06/1005304706.db2.gz OKOPMLWUIXJPLN-QFBILLFUSA-N 1 0 424.932 3.567 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)C2=O)cc1 ZINC000511776443 1005321124 /nfs/dbraw/zinc/32/11/24/1005321124.db2.gz KIJZNSLTZCOMDJ-YCAMKHIRSA-N 1 0 401.510 3.558 20 30 HHEDRO Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000503048899 1005327601 /nfs/dbraw/zinc/32/76/01/1005327601.db2.gz QQVXJPHLSUUABY-UHFFFAOYSA-N 1 0 422.508 3.570 20 30 HHEDRO C[NH+](C)C1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CCCCC1 ZINC000514307954 1005335017 /nfs/dbraw/zinc/33/50/17/1005335017.db2.gz RMQMKAXIOCHJSK-UHFFFAOYSA-N 1 0 402.514 3.515 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511805266 1005337278 /nfs/dbraw/zinc/33/72/78/1005337278.db2.gz GHSDQYXOVOSCRK-HSZRJFAPSA-N 1 0 421.589 3.763 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccc(Br)cc3)CC2)c1 ZINC000503378023 1005402691 /nfs/dbraw/zinc/40/26/91/1005402691.db2.gz MWJDZIPIKODXCX-UHFFFAOYSA-N 1 0 412.331 3.817 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)CCC2 ZINC000503379200 1005402836 /nfs/dbraw/zinc/40/28/36/1005402836.db2.gz RWOQYWSUNDQYLW-MRXNPFEDSA-N 1 0 423.586 3.849 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000503458669 1005426586 /nfs/dbraw/zinc/42/65/86/1005426586.db2.gz NPBPPVMXIVQIHX-UHFFFAOYSA-N 1 0 403.935 3.676 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000503491064 1005435654 /nfs/dbraw/zinc/43/56/54/1005435654.db2.gz FWSFRUXQFVJGFT-NRFANRHFSA-N 1 0 408.502 3.924 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503885597 1005504746 /nfs/dbraw/zinc/50/47/46/1005504746.db2.gz OQAZWUVEVDLFKF-INIZCTEOSA-N 1 0 409.983 3.877 20 30 HHEDRO CC1CC[NH+](C2CCC(NC(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000504326158 1005597978 /nfs/dbraw/zinc/59/79/78/1005597978.db2.gz UULMFFPDVFXVDG-UHFFFAOYSA-N 1 0 410.562 3.586 20 30 HHEDRO CCN1CC[C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000514426195 1005984817 /nfs/dbraw/zinc/98/48/17/1005984817.db2.gz MUEAIYYOTAJEJX-WNYOCNMUSA-N 1 0 422.495 3.560 20 30 HHEDRO Cc1ccc(CSCCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000514458527 1005998038 /nfs/dbraw/zinc/99/80/38/1005998038.db2.gz OSLFRBQLUKLWTI-UHFFFAOYSA-N 1 0 410.587 3.873 20 30 HHEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000514802813 1006133864 /nfs/dbraw/zinc/13/38/64/1006133864.db2.gz UBYNHHWSKNGVIR-HZPDHXFCSA-N 1 0 418.607 3.730 20 30 HHEDRO C=CC[N@@H+](CCCc1nc(-c2ccccc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000531346133 1006138278 /nfs/dbraw/zinc/13/82/78/1006138278.db2.gz SEDYZJSFMYYCSD-SFHVURJKSA-N 1 0 415.501 3.894 20 30 HHEDRO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000514924803 1006206604 /nfs/dbraw/zinc/20/66/04/1006206604.db2.gz DIVOAJSQBLRRJX-ABYRGBDGSA-N 1 0 420.601 3.539 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515020050 1006254990 /nfs/dbraw/zinc/25/49/90/1006254990.db2.gz MOGMJTORTJXZHM-RTWAWAEBSA-N 1 0 404.514 3.943 20 30 HHEDRO C[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000515239247 1006351899 /nfs/dbraw/zinc/35/18/99/1006351899.db2.gz AKVJJEIWXIIHQA-IBGZPJMESA-N 1 0 419.550 3.885 20 30 HHEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C3CCOCC3)C2)sc2c1CCCCC2 ZINC000534381420 1006352233 /nfs/dbraw/zinc/35/22/33/1006352233.db2.gz XECGIHQPHXGQLE-QGZVFWFLSA-N 1 0 401.576 3.966 20 30 HHEDRO C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000534384201 1006355930 /nfs/dbraw/zinc/35/59/30/1006355930.db2.gz KWLQHHQDYULJNK-TZYHBYERSA-N 1 0 411.594 3.598 20 30 HHEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356264 1006414859 /nfs/dbraw/zinc/41/48/59/1006414859.db2.gz HLOFLPBQKSAEHB-SFTDATJTSA-N 1 0 418.585 3.894 20 30 HHEDRO COc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1C#N ZINC000515716827 1006613920 /nfs/dbraw/zinc/61/39/20/1006613920.db2.gz UHBDPDPVTPFEMC-CYBMUJFWSA-N 1 0 407.392 3.972 20 30 HHEDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538375676 1006646405 /nfs/dbraw/zinc/64/64/05/1006646405.db2.gz MWPBPNGFWGJBAO-IERDGZPVSA-N 1 0 403.548 3.539 20 30 HHEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000538390571 1006660636 /nfs/dbraw/zinc/66/06/36/1006660636.db2.gz SDQSSHKYAPIWPT-SJMXVYMZSA-N 1 0 411.546 3.818 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000538391496 1006661437 /nfs/dbraw/zinc/66/14/37/1006661437.db2.gz GGIHVWXUBJFYEM-ZEQRLZLVSA-N 1 0 420.532 3.832 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000538397384 1006665979 /nfs/dbraw/zinc/66/59/79/1006665979.db2.gz BGODVRZPKXTJDB-QGZVFWFLSA-N 1 0 409.530 3.899 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000534714170 1006700476 /nfs/dbraw/zinc/70/04/76/1006700476.db2.gz LTWFNTNWPCCXCP-UHFFFAOYSA-N 1 0 404.967 3.956 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515967095 1006796169 /nfs/dbraw/zinc/79/61/69/1006796169.db2.gz NFPDHOANTGTIOF-UHFFFAOYSA-N 1 0 418.950 3.582 20 30 HHEDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000538603453 1006876488 /nfs/dbraw/zinc/87/64/88/1006876488.db2.gz FGZVUYGSHUEEKL-UHFFFAOYSA-N 1 0 407.436 3.612 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1ccc(Cl)cc1 ZINC000538654486 1006927375 /nfs/dbraw/zinc/92/73/75/1006927375.db2.gz LFMLSLYGHGJNMD-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000532552833 1006983718 /nfs/dbraw/zinc/98/37/18/1006983718.db2.gz OQXYHMIFXBXBHK-DLBZAZTESA-N 1 0 400.592 3.776 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+](C1CC1)C1CCCC1)CCCC2 ZINC000532563307 1006994820 /nfs/dbraw/zinc/99/48/20/1006994820.db2.gz XQCFAHQDEYUAFC-LJQANCHMSA-N 1 0 410.562 3.763 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534956277 1006999964 /nfs/dbraw/zinc/99/99/64/1006999964.db2.gz GMGDNICHWQAFQG-FQEVSTJZSA-N 1 0 403.526 3.840 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCN(CC(F)(F)F)C3=O)c2)c1 ZINC000532569789 1007001688 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C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000533501258 1007811782 /nfs/dbraw/zinc/81/17/82/1007811782.db2.gz ZRPMBOLTBDPBLO-QFIPXVFZSA-N 1 0 412.505 3.645 20 30 HHEDRO COc1cc(OC)cc(OCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000539508485 1007817870 /nfs/dbraw/zinc/81/78/70/1007817870.db2.gz OJOPKHDJKHHNHV-UHFFFAOYSA-N 1 0 409.530 3.599 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(-c4ncco4)c3)CC2)cc1 ZINC000533589819 1007887974 /nfs/dbraw/zinc/88/79/74/1007887974.db2.gz DMWGIEIBGPVJIH-UHFFFAOYSA-N 1 0 401.470 3.953 20 30 HHEDRO COC(=O)c1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1C#N ZINC000535962370 1007999373 /nfs/dbraw/zinc/99/93/73/1007999373.db2.gz DYMSUECSQFAPFA-URXFXBBRSA-N 1 0 403.526 3.831 20 30 HHEDRO CC[C@@H](C)Oc1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000539744024 1008058889 /nfs/dbraw/zinc/05/88/89/1008058889.db2.gz CDZRMACOXGJJQW-LJQANCHMSA-N 1 0 421.545 3.548 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 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420.557 3.868 20 30 HHEDRO O=C1CCCN1C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000540320476 1008378657 /nfs/dbraw/zinc/37/86/57/1008378657.db2.gz BLYXURQDNZYIHI-HXUWFJFHSA-N 1 0 402.416 3.890 20 30 HHEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000518675624 1008387874 /nfs/dbraw/zinc/38/78/74/1008387874.db2.gz JVGDWGMWMICSSI-UHFFFAOYSA-N 1 0 424.570 3.787 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000540343660 1008389995 /nfs/dbraw/zinc/38/99/95/1008389995.db2.gz BOVMGOQMNZUNJN-HXUWFJFHSA-N 1 0 404.432 3.923 20 30 HHEDRO C=CCOc1cccnc1C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540423969 1008427120 /nfs/dbraw/zinc/42/71/20/1008427120.db2.gz NZWUXGOMWPPSEB-FQEVSTJZSA-N 1 0 417.513 3.851 20 30 HHEDRO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000540468463 1008443603 /nfs/dbraw/zinc/44/36/03/1008443603.db2.gz PCSVFSPFEUMQBF-SIKLNZKXSA-N 1 0 410.587 3.834 20 30 HHEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849198 1008444792 /nfs/dbraw/zinc/44/47/92/1008444792.db2.gz SMHWHBWOPOUDLH-HKUYNNGSSA-N 1 0 402.420 3.693 20 30 HHEDRO CC(C)(C)C(=O)N1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000540519055 1008464484 /nfs/dbraw/zinc/46/44/84/1008464484.db2.gz BPSCLYPREKKAIV-UHFFFAOYSA-N 1 0 404.942 3.509 20 30 HHEDRO CCC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc(F)cc1 ZINC000540547716 1008476584 /nfs/dbraw/zinc/47/65/84/1008476584.db2.gz MYGSBGKOOVGNPL-HXUWFJFHSA-N 1 0 414.550 3.508 20 30 HHEDRO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000540554413 1008479206 /nfs/dbraw/zinc/47/92/06/1008479206.db2.gz VWPMDCJJSYFGCG-UKILVPOCSA-N 1 0 420.532 3.666 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000519024984 1008504629 /nfs/dbraw/zinc/50/46/29/1008504629.db2.gz RKGJJRHZTPTLHB-UHFFFAOYSA-N 1 0 417.557 3.576 20 30 HHEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000542965043 1008538221 /nfs/dbraw/zinc/53/82/21/1008538221.db2.gz PPOJFDWEVRHZSR-UHFFFAOYSA-N 1 0 400.914 3.782 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000519271076 1008679252 /nfs/dbraw/zinc/67/92/52/1008679252.db2.gz OEKHBNAQFLONBC-UHFFFAOYSA-N 1 0 408.502 3.977 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC000519270299 1008679869 /nfs/dbraw/zinc/67/98/69/1008679869.db2.gz GNDYWNGROIQTHW-UHFFFAOYSA-N 1 0 400.548 3.749 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)CCC#N ZINC000549116092 1008683342 /nfs/dbraw/zinc/68/33/42/1008683342.db2.gz NJHOVEMJOGMPHC-GDIGMMSISA-N 1 0 408.949 3.743 20 30 HHEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549116272 1008683358 /nfs/dbraw/zinc/68/33/58/1008683358.db2.gz MSEIHVGHEPRPBG-QFBILLFUSA-N 1 0 422.476 3.791 20 30 HHEDRO COc1cccc([C@@H]2[C@@H]([NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)CCN2C2CC2)c1 ZINC000549116446 1008683902 /nfs/dbraw/zinc/68/39/02/1008683902.db2.gz PLTXVGYLYSFJFE-NZQKXSOJSA-N 1 0 424.932 3.726 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549117402 1008685336 /nfs/dbraw/zinc/68/53/36/1008685336.db2.gz VBZPGZCELDFGKM-QUCCMNQESA-N 1 0 406.933 3.547 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(I)c1)c1ccc(C#N)cc1 ZINC000549164659 1008737013 /nfs/dbraw/zinc/73/70/13/1008737013.db2.gz GQMOUSNFHJCTJY-OLZOCXBDSA-N 1 0 419.266 3.841 20 30 HHEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2ccccn2)CC1 ZINC000549253352 1008824479 /nfs/dbraw/zinc/82/44/79/1008824479.db2.gz SAQGFJVDUHWMNF-SFHVURJKSA-N 1 0 422.508 3.855 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549281112 1008850737 /nfs/dbraw/zinc/85/07/37/1008850737.db2.gz WFSPKBYFRNFFNU-JOCHJYFZSA-N 1 0 416.573 3.798 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549328455 1008907448 /nfs/dbraw/zinc/90/74/48/1008907448.db2.gz XCDDDKSWHOLJLP-QFIPXVFZSA-N 1 0 423.561 3.821 20 30 HHEDRO CC1CCN([C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c2ccccc2)CC1 ZINC000519656171 1008942384 /nfs/dbraw/zinc/94/23/84/1008942384.db2.gz LBRPPFWTQHFING-NOZRDPDXSA-N 1 0 407.558 3.555 20 30 HHEDRO CC1=CC[N@H+](CCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000545864525 1008951617 /nfs/dbraw/zinc/95/16/17/1008951617.db2.gz XVGVDGMMKJWRQS-UHFFFAOYSA-N 1 0 403.486 3.584 20 30 HHEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(C)s1 ZINC000543460066 1009044993 /nfs/dbraw/zinc/04/49/93/1009044993.db2.gz HGOKVCIQUJPPER-IERDGZPVSA-N 1 0 414.550 3.564 20 30 HHEDRO CCC[N@@H+](Cc1ccccc1Br)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519907021 1009067922 /nfs/dbraw/zinc/06/79/22/1009067922.db2.gz GDMAGMLCRRALRU-SFHVURJKSA-N 1 0 403.320 3.973 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000549589270 1009215952 /nfs/dbraw/zinc/21/59/52/1009215952.db2.gz PCJULZPIQXABIZ-UHFFFAOYSA-N 1 0 405.517 3.875 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549637897 1009264522 /nfs/dbraw/zinc/26/45/22/1009264522.db2.gz MPXQCIMLRKEIPB-NQIIRXRSSA-N 1 0 411.550 3.535 20 30 HHEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000549638839 1009265329 /nfs/dbraw/zinc/26/53/29/1009265329.db2.gz UTMOJKOJFYHSAJ-UHFFFAOYSA-N 1 0 401.599 3.841 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccccc2C[NH+]2CCCC2)no1 ZINC000546243113 1009269307 /nfs/dbraw/zinc/26/93/07/1009269307.db2.gz POIFCJUZJJELPI-UHFFFAOYSA-N 1 0 404.518 3.845 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000549655064 1009282610 /nfs/dbraw/zinc/28/26/10/1009282610.db2.gz LQKQAZHDEWRZSX-QFIPXVFZSA-N 1 0 423.561 3.821 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000549655160 1009282843 /nfs/dbraw/zinc/28/28/43/1009282843.db2.gz OAPVMPJSYXAQCF-UHFFFAOYSA-N 1 0 419.932 3.615 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000549655044 1009283136 /nfs/dbraw/zinc/28/31/36/1009283136.db2.gz LIVMEAJJNSYANS-SFHVURJKSA-N 1 0 416.367 3.958 20 30 HHEDRO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000549693087 1009322638 /nfs/dbraw/zinc/32/26/38/1009322638.db2.gz HAFSLUAADYKUOX-NRFANRHFSA-N 1 0 401.599 3.526 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000520190632 1009330964 /nfs/dbraw/zinc/33/09/64/1009330964.db2.gz CRHJCNZNCRXNJU-KRWDZBQOSA-N 1 0 416.591 3.790 20 30 HHEDRO C=CC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195010 1009334770 /nfs/dbraw/zinc/33/47/70/1009334770.db2.gz PJOKGJFBQMJQRS-HNNXBMFYSA-N 1 0 411.893 3.836 20 30 HHEDRO C=CCNC(=O)c1cccc(-c2noc(C3CCN(c4cc[nH+]cc4C)CC3)n2)c1 ZINC000546359459 1009369033 /nfs/dbraw/zinc/36/90/33/1009369033.db2.gz UHRCBJDTGOTAIG-UHFFFAOYSA-N 1 0 403.486 3.740 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CO)c2cccc(F)c2)sc2c1CCCCC2 ZINC000543811731 1009373972 /nfs/dbraw/zinc/37/39/72/1009373972.db2.gz WJICPVYTOSMSEL-GOSISDBHSA-N 1 0 401.507 3.680 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(-c4ccccc4)on3)CC2)cc1 ZINC000549806489 1009414309 /nfs/dbraw/zinc/41/43/09/1009414309.db2.gz LKWFVUZRVLMMTD-UHFFFAOYSA-N 1 0 415.497 3.631 20 30 HHEDRO C[C@@H]1CN(Cc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000549822887 1009434269 /nfs/dbraw/zinc/43/42/69/1009434269.db2.gz YPAKBUHYUIIXAI-OKILXGFUSA-N 1 0 418.419 3.834 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)n2)c(F)c1 ZINC000543885216 1009460839 /nfs/dbraw/zinc/46/08/39/1009460839.db2.gz KWIRSKWSSKRUMC-UHFFFAOYSA-N 1 0 410.497 3.802 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000543885194 1009461040 /nfs/dbraw/zinc/46/10/40/1009461040.db2.gz WPWMBHSRZPUESN-LPHOPBHVSA-N 1 0 418.476 3.840 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889090 1009467440 /nfs/dbraw/zinc/46/74/40/1009467440.db2.gz AHRHNIJPJNNMHI-LSDHHAIUSA-N 1 0 400.914 3.639 20 30 HHEDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543890959 1009469307 /nfs/dbraw/zinc/46/93/07/1009469307.db2.gz UKNSNNPQPVZINY-UHFFFAOYSA-N 1 0 414.941 3.983 20 30 HHEDRO C[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000543892305 1009472144 /nfs/dbraw/zinc/47/21/44/1009472144.db2.gz IOVLQNWEDGQGKV-HUUCEWRRSA-N 1 0 400.914 3.639 20 30 HHEDRO C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000520422924 1009545416 /nfs/dbraw/zinc/54/54/16/1009545416.db2.gz UKUGOVKDQRHTJZ-GOSISDBHSA-N 1 0 404.514 3.606 20 30 HHEDRO COc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2OC)[NH+]2CCCCC2)cc1 ZINC000546708986 1009692872 /nfs/dbraw/zinc/69/28/72/1009692872.db2.gz MUHLHFBJWBAYKH-NRFANRHFSA-N 1 0 408.502 3.924 20 30 HHEDRO COc1cccc(-c2noc([C@H](C)[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)n2)c1 ZINC000520658685 1009729345 /nfs/dbraw/zinc/72/93/45/1009729345.db2.gz DYLKBRSEZSEGFR-INIZCTEOSA-N 1 0 403.486 3.936 20 30 HHEDRO CC[C@H]1CN(C(=O)Nc2cc(C#N)ccc2OCCOC)CC[N@@H+]1Cc1ccccc1 ZINC000546818885 1009778187 /nfs/dbraw/zinc/77/81/87/1009778187.db2.gz KHXBMVXITAEAKU-NRFANRHFSA-N 1 0 422.529 3.712 20 30 HHEDRO COc1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000544181429 1009785356 /nfs/dbraw/zinc/78/53/56/1009785356.db2.gz UEUBFODBOFLPIC-UHFFFAOYSA-N 1 0 422.525 3.775 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)c1C#N ZINC000546930755 1009890922 /nfs/dbraw/zinc/89/09/22/1009890922.db2.gz TVESCNGAKVFMTC-NRFANRHFSA-N 1 0 400.567 3.951 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000544309995 1009933038 /nfs/dbraw/zinc/93/30/38/1009933038.db2.gz RNAFRJWPLAWRDK-GHTZIAJQSA-N 1 0 422.529 3.616 20 30 HHEDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000520977455 1010019092 /nfs/dbraw/zinc/01/90/92/1010019092.db2.gz RHRCDJJLMZREBC-INIZCTEOSA-N 1 0 412.515 3.537 20 30 HHEDRO COC[C@H]([NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(C)o1 ZINC000544452439 1010075028 /nfs/dbraw/zinc/07/50/28/1010075028.db2.gz RHTAORPHENKVAS-FQEVSTJZSA-N 1 0 424.501 3.825 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)cc1 ZINC000544514252 1010138744 /nfs/dbraw/zinc/13/87/44/1010138744.db2.gz ITLVBNGJYKXOJP-RHGYRFJNSA-N 1 0 407.514 3.875 20 30 HHEDRO N#Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)ccc1Cl ZINC000544617656 1010242957 /nfs/dbraw/zinc/24/29/57/1010242957.db2.gz YKIFJHVUGKHKFD-UHFFFAOYSA-N 1 0 401.869 3.624 20 30 HHEDRO CCN(C(=O)CCCOc1ccc(C#N)cc1OC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544848652 1010433488 /nfs/dbraw/zinc/43/34/88/1010433488.db2.gz CXUZYRMXPBTWAD-JOCHJYFZSA-N 1 0 421.541 3.849 20 30 HHEDRO Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000551302830 1010504795 /nfs/dbraw/zinc/50/47/95/1010504795.db2.gz WVIVKUCRHIAWKB-HXUWFJFHSA-N 1 0 403.461 3.902 20 30 HHEDRO C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1Cc1ccccc1 ZINC000551404142 1010564938 /nfs/dbraw/zinc/56/49/38/1010564938.db2.gz UWWYOGYMHHWXAI-LJQANCHMSA-N 1 0 422.598 3.686 20 30 HHEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccnn3Cc3ccccc3Cl)CC2)c1 ZINC000551410794 1010568655 /nfs/dbraw/zinc/56/86/55/1010568655.db2.gz DWYOTHWFZBLFAZ-UHFFFAOYSA-N 1 0 405.889 3.674 20 30 HHEDRO CC(C)C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)N1CCOCC1 ZINC000521822836 1010642864 /nfs/dbraw/zinc/64/28/64/1010642864.db2.gz VSASPNNRKAQJFE-XMMPIXPASA-N 1 0 407.558 3.974 20 30 HHEDRO CC(C)C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)N1CCOCC1 ZINC000521822835 1010642981 /nfs/dbraw/zinc/64/29/81/1010642981.db2.gz VSASPNNRKAQJFE-DEOSSOPVSA-N 1 0 407.558 3.974 20 30 HHEDRO C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1ccc(C#N)c(F)c1 ZINC000551567124 1010666558 /nfs/dbraw/zinc/66/65/58/1010666558.db2.gz OZROJLKERKYTND-LFVRLGFBSA-N 1 0 406.461 3.773 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)[NH+](C)C)cc1 ZINC000548822814 1010738087 /nfs/dbraw/zinc/73/80/87/1010738087.db2.gz TVDWDKUUHGSIRD-NRFANRHFSA-N 1 0 405.546 3.514 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000548826765 1010738713 /nfs/dbraw/zinc/73/87/13/1010738713.db2.gz HCLVGIWIXUWOAI-IBGZPJMESA-N 1 0 411.937 3.605 20 30 HHEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)o1 ZINC000521969224 1010743672 /nfs/dbraw/zinc/74/36/72/1010743672.db2.gz GZEACXGFFNFFNK-UHFFFAOYSA-N 1 0 404.470 3.851 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000548906271 1010756717 /nfs/dbraw/zinc/75/67/17/1010756717.db2.gz YQHYNMAXADDVTH-IBGZPJMESA-N 1 0 423.586 3.622 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc(OC)c1OC ZINC000522115662 1010819527 /nfs/dbraw/zinc/81/95/27/1010819527.db2.gz LPWREXUICHLXLQ-GAJHUEQPSA-N 1 0 403.567 3.742 20 30 HHEDRO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000522177397 1010849265 /nfs/dbraw/zinc/84/92/65/1010849265.db2.gz CCTWTTLOROVYPH-CYBMUJFWSA-N 1 0 416.747 3.564 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)[NH+]2CCCC2)cc1 ZINC000522470125 1011032097 /nfs/dbraw/zinc/03/20/97/1011032097.db2.gz GDYBLKDPPJDAKH-DEOSSOPVSA-N 1 0 417.557 3.535 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000522470669 1011032472 /nfs/dbraw/zinc/03/24/72/1011032472.db2.gz IEJRNLKQGWNSHI-UWJYYQICSA-N 1 0 408.546 3.830 20 30 HHEDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000522772958 1011207758 /nfs/dbraw/zinc/20/77/58/1011207758.db2.gz HNBDZOJRPPHSQZ-ZWKOTPCHSA-N 1 0 416.591 3.790 20 30 HHEDRO Cn1ccnc1[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000540596795 1011253222 /nfs/dbraw/zinc/25/32/22/1011253222.db2.gz IBPIZFSFDVXETA-HSZRJFAPSA-N 1 0 403.505 3.774 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)CC1 ZINC000522975106 1011425628 /nfs/dbraw/zinc/42/56/28/1011425628.db2.gz POZSJGZZJWHVRK-QFIPXVFZSA-N 1 0 419.529 3.502 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000536314606 1011508841 /nfs/dbraw/zinc/50/88/41/1011508841.db2.gz JHTGFBKROJLLTM-UHFFFAOYSA-N 1 0 424.932 3.542 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)CC2)cc1 ZINC000540974413 1011608327 /nfs/dbraw/zinc/60/83/27/1011608327.db2.gz AWXSVJGVPOWDAT-HSZRJFAPSA-N 1 0 404.514 3.752 20 30 HHEDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(C)(C)C ZINC000541102491 1011748820 /nfs/dbraw/zinc/74/88/20/1011748820.db2.gz IDCORUFLYPIRCV-KRWDZBQOSA-N 1 0 402.930 3.885 20 30 HHEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000536589322 1011751908 /nfs/dbraw/zinc/75/19/08/1011751908.db2.gz IDMNRMPOPOPESB-JTSKRJEESA-N 1 0 412.509 3.547 20 30 HHEDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000536589323 1011752382 /nfs/dbraw/zinc/75/23/82/1011752382.db2.gz IDMNRMPOPOPESB-VGOFRKELSA-N 1 0 412.509 3.547 20 30 HHEDRO Cc1ccc(NC(=O)NCCSCc2ccccc2C#N)c(OCC[NH+](C)C)c1 ZINC000523445677 1011940250 /nfs/dbraw/zinc/94/02/50/1011940250.db2.gz UFKALOANWYLOQO-UHFFFAOYSA-N 1 0 412.559 3.862 20 30 HHEDRO CSc1nnc(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000552044052 1012062532 /nfs/dbraw/zinc/06/25/32/1012062532.db2.gz NSFIAKQZIVOVMJ-UHFFFAOYSA-N 1 0 412.607 3.719 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000552067546 1012084265 /nfs/dbraw/zinc/08/42/65/1012084265.db2.gz OGNSTROHRUDZPH-OAQYLSRUSA-N 1 0 412.896 3.715 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570265 1012112911 /nfs/dbraw/zinc/11/29/11/1012112911.db2.gz PLLJJDYFXVSYQS-LPHOPBHVSA-N 1 0 401.507 3.543 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552136577 1012156298 /nfs/dbraw/zinc/15/62/98/1012156298.db2.gz CTAWUWCDXCBKQX-VFNWGFHPSA-N 1 0 403.860 3.842 20 30 HHEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000552145603 1012166608 /nfs/dbraw/zinc/16/66/08/1012166608.db2.gz VYXBOISMHUQQOY-OXJNMPFZSA-N 1 0 409.313 3.512 20 30 HHEDRO N#CC1(NC(=O)c2cscc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000552150245 1012171168 /nfs/dbraw/zinc/17/11/68/1012171168.db2.gz ZKOXJWKKPFFJAL-UHFFFAOYSA-N 1 0 404.333 3.799 20 30 HHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000523606310 1012174465 /nfs/dbraw/zinc/17/44/65/1012174465.db2.gz QEMYMETYKKGJCT-FGZHOGPDSA-N 1 0 424.541 3.802 20 30 HHEDRO CCc1cccc2c1OCC[C@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000523626377 1012208093 /nfs/dbraw/zinc/20/80/93/1012208093.db2.gz BLXVOJDLCGIBBU-HSZRJFAPSA-N 1 0 418.541 3.862 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(Br)cc2)CC1 ZINC000536928283 1012214218 /nfs/dbraw/zinc/21/42/18/1012214218.db2.gz MIOHXNTUOWQKCX-DNVCBOLYSA-N 1 0 424.383 3.865 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](CO)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000552249988 1012259415 /nfs/dbraw/zinc/25/94/15/1012259415.db2.gz RSJFIHXMUNKQKL-KRWDZBQOSA-N 1 0 401.913 3.760 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CC(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000552281697 1012293560 /nfs/dbraw/zinc/29/35/60/1012293560.db2.gz GRNQFUTVEJAIOF-UHFFFAOYSA-N 1 0 413.319 3.518 20 30 HHEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000537024598 1012332028 /nfs/dbraw/zinc/33/20/28/1012332028.db2.gz RBEGNWFZYXBKGP-KRWDZBQOSA-N 1 0 403.486 3.820 20 30 HHEDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000537028159 1012338462 /nfs/dbraw/zinc/33/84/62/1012338462.db2.gz JSMWRMAWZODTNQ-OAQYLSRUSA-N 1 0 415.921 3.617 20 30 HHEDRO CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000552363182 1012371509 /nfs/dbraw/zinc/37/15/09/1012371509.db2.gz FZFYBVKLFYBHMD-LEWJYISDSA-N 1 0 402.970 3.621 20 30 HHEDRO CN1CC[N@H+](CCCNc2nc(C(F)(F)F)ccc2C#N)[C@H](c2ccccc2)C1 ZINC000523755319 1012380899 /nfs/dbraw/zinc/38/08/99/1012380899.db2.gz MIHHLPUTTIXQMO-SFHVURJKSA-N 1 0 403.452 3.763 20 30 HHEDRO COC(=O)C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000541601439 1012397891 /nfs/dbraw/zinc/39/78/91/1012397891.db2.gz CLLVLPPZPNBWFE-LJQANCHMSA-N 1 0 405.926 3.688 20 30 HHEDRO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000541640962 1012457720 /nfs/dbraw/zinc/45/77/20/1012457720.db2.gz XRZWYHBLKCSIRG-ZDUSSCGKSA-N 1 0 421.364 3.985 20 30 HHEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000537097558 1012459676 /nfs/dbraw/zinc/45/96/76/1012459676.db2.gz TXKZZQYPHFVDQV-LTJVCIDVSA-N 1 0 401.551 3.982 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000537107400 1012476944 /nfs/dbraw/zinc/47/69/44/1012476944.db2.gz YNBJMLZIVWYRCM-QZTJIDSGSA-N 1 0 422.504 3.938 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000537108198 1012478431 /nfs/dbraw/zinc/47/84/31/1012478431.db2.gz IRCHIBFHZPNZJG-FZQSFKQPSA-N 1 0 410.562 3.783 20 30 HHEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000537108197 1012479104 /nfs/dbraw/zinc/47/91/04/1012479104.db2.gz IRCHIBFHZPNZJG-AAXCNWCCSA-N 1 0 410.562 3.783 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)OC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000537127730 1012512533 /nfs/dbraw/zinc/51/25/33/1012512533.db2.gz CMJJSNRUZOTMEY-SFHVURJKSA-N 1 0 412.452 3.714 20 30 HHEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000537162178 1012561843 /nfs/dbraw/zinc/56/18/43/1012561843.db2.gz OEFMGNJXZMBHCS-LEWJYISDSA-N 1 0 408.571 3.603 20 30 HHEDRO CC(C)COC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000523883269 1012585075 /nfs/dbraw/zinc/58/50/75/1012585075.db2.gz FAPPEUJSHCLLKL-QFIPXVFZSA-N 1 0 424.545 3.782 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000523899932 1012609089 /nfs/dbraw/zinc/60/90/89/1012609089.db2.gz OFRACVODOYZDJE-SFHVURJKSA-N 1 0 407.514 3.532 20 30 HHEDRO COCCN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000523952661 1012692474 /nfs/dbraw/zinc/69/24/74/1012692474.db2.gz CQEYKBJRKNVYEY-UHFFFAOYSA-N 1 0 401.894 3.654 20 30 HHEDRO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000537288029 1012744776 /nfs/dbraw/zinc/74/47/76/1012744776.db2.gz ZTTPKYNQMPOPMT-WMZHIEFXSA-N 1 0 408.521 3.502 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537290777 1012749478 /nfs/dbraw/zinc/74/94/78/1012749478.db2.gz KOCRHWMWRJTUAL-SFTDATJTSA-N 1 0 408.571 3.754 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(c4ccc(F)cc4)CCOCC3)CC2)cc1 ZINC000537294247 1012751814 /nfs/dbraw/zinc/75/18/14/1012751814.db2.gz AXJCSBHMHJNKLE-UHFFFAOYSA-N 1 0 407.533 4.000 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(C(=O)N4CCSCC4)c3)CC2)cc1 ZINC000541901622 1012761421 /nfs/dbraw/zinc/76/14/21/1012761421.db2.gz YTDNBFKEBYRLQO-UHFFFAOYSA-N 1 0 420.582 3.824 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000537308002 1012766020 /nfs/dbraw/zinc/76/60/20/1012766020.db2.gz UKYMJOOEIDYKAZ-LJQANCHMSA-N 1 0 411.571 3.971 20 30 HHEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552814091 1012822056 /nfs/dbraw/zinc/82/20/56/1012822056.db2.gz CGWVILINFDXSAF-QGZVFWFLSA-N 1 0 402.970 3.809 20 30 HHEDRO CC[NH+](CC)CCCC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000542012025 1012896720 /nfs/dbraw/zinc/89/67/20/1012896720.db2.gz MQABWOKDABECEZ-UHFFFAOYSA-N 1 0 422.577 3.516 20 30 HHEDRO C[C@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019530 1012910575 /nfs/dbraw/zinc/91/05/75/1012910575.db2.gz XECKSRPFWOYZSP-IBGZPJMESA-N 1 0 412.541 3.618 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000542025178 1012918352 /nfs/dbraw/zinc/91/83/52/1012918352.db2.gz ANZLNJPBTJEMJQ-LJQANCHMSA-N 1 0 411.468 3.829 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)c1cccs1 ZINC000542030911 1012928581 /nfs/dbraw/zinc/92/85/81/1012928581.db2.gz WSMAKCFYPLVIFY-MRXNPFEDSA-N 1 0 414.922 3.883 20 30 HHEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000542035718 1012935139 /nfs/dbraw/zinc/93/51/39/1012935139.db2.gz PDIDTTMLWICKIC-HUUCEWRRSA-N 1 0 400.914 3.782 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)c(F)c1 ZINC000552952454 1012938568 /nfs/dbraw/zinc/93/85/68/1012938568.db2.gz IMXNBTWGALMECE-RTWAWAEBSA-N 1 0 412.553 3.638 20 30 HHEDRO CN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000552994317 1012970834 /nfs/dbraw/zinc/97/08/34/1012970834.db2.gz OEDMTWMHRUCOMJ-OAQYLSRUSA-N 1 0 420.532 3.647 20 30 HHEDRO CCN(CC)C(=O)C1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000553026704 1013001607 /nfs/dbraw/zinc/00/16/07/1013001607.db2.gz ZOUNCUGLUHQDMW-QGZVFWFLSA-N 1 0 416.591 3.600 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)C2)c(F)c1 ZINC000553053604 1013028001 /nfs/dbraw/zinc/02/80/01/1013028001.db2.gz YWOZFBZINBHWCH-JOCHJYFZSA-N 1 0 420.532 3.826 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@@H]2CCCC[C@@H]2C)[n+]2cccc(C)c2)c1 ZINC000729669556 1071785089 /nfs/dbraw/zinc/78/50/89/1071785089.db2.gz HIPPCFJGXZBFFB-DOTOQJQBSA-O 1 0 415.535 3.769 20 30 HHEDRO CCc1cccc(NC(=S)C(C(=O)c2cc(C(=O)OC)co2)[n+]2ccccc2)c1 ZINC000729668181 1071786183 /nfs/dbraw/zinc/78/61/83/1071786183.db2.gz FSFMVCQARYALPY-UHFFFAOYSA-O 1 0 409.487 3.967 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000729683223 1071799035 /nfs/dbraw/zinc/79/90/35/1071799035.db2.gz HIDGFTJLXXNZRF-UHFFFAOYSA-N 1 0 407.470 3.841 20 30 HHEDRO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168275518 1072155996 /nfs/dbraw/zinc/15/59/96/1072155996.db2.gz MGOILUZOCPTZHN-LSDHHAIUSA-N 1 0 411.449 3.653 20 30 HHEDRO CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127053522 1072228538 /nfs/dbraw/zinc/22/85/38/1072228538.db2.gz JZFMXUKOSJTCLO-HXUWFJFHSA-N 1 0 412.331 3.596 20 30 HHEDRO COc1cc(CNC(NCCc2cccs2)=[NH+]C(C)(C)C)cc(OC)c1OC ZINC000912508412 1072244446 /nfs/dbraw/zinc/24/44/46/1072244446.db2.gz NANSZIWCEFPADJ-UHFFFAOYSA-N 1 0 405.564 3.850 20 30 HHEDRO C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000913365920 1072382087 /nfs/dbraw/zinc/38/20/87/1072382087.db2.gz XZEHTSBBAQGBIF-IBGZPJMESA-N 1 0 422.525 3.578 20 30 HHEDRO CC(C)(C#N)c1ccc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000586779695 1072436432 /nfs/dbraw/zinc/43/64/32/1072436432.db2.gz LHYNEOLAODSYJQ-RUZDIDTESA-N 1 0 402.586 3.880 20 30 HHEDRO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCC1 ZINC001691596303 1072512254 /nfs/dbraw/zinc/51/22/54/1072512254.db2.gz FYDJJBWKHQTBJF-OAQYLSRUSA-N 1 0 421.593 3.514 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)n1C[C@H]1CCCOC1 ZINC001625997215 1072532907 /nfs/dbraw/zinc/53/29/07/1072532907.db2.gz TWVOQGLIUJFGBE-HSZRJFAPSA-N 1 0 422.573 3.607 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1OCC ZINC000571068878 1072551764 /nfs/dbraw/zinc/55/17/64/1072551764.db2.gz QPYYHRVCCCCPMB-LPHOPBHVSA-N 1 0 423.351 3.559 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000587690748 1072654916 /nfs/dbraw/zinc/65/49/16/1072654916.db2.gz YUMUULLITQQRBQ-RBUKOAKNSA-N 1 0 418.541 3.515 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000587992455 1072734298 /nfs/dbraw/zinc/73/42/98/1072734298.db2.gz LSZRBEDENBUUBU-AZGAKELHSA-N 1 0 414.553 3.652 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000588216019 1072916796 /nfs/dbraw/zinc/91/67/96/1072916796.db2.gz CVBZJMBSKJGHLZ-HXUWFJFHSA-N 1 0 407.489 3.992 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000554945017 1072978037 /nfs/dbraw/zinc/97/80/37/1072978037.db2.gz AICMJYQZZNOGNW-UUOWRZLLSA-N 1 0 407.489 3.931 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000554975088 1073015657 /nfs/dbraw/zinc/01/56/57/1073015657.db2.gz ANQCCIBJHBMPAD-VXKWHMMOSA-N 1 0 418.541 3.588 20 30 HHEDRO CCN(CCC#N)C(=O)C[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555130737 1073181019 /nfs/dbraw/zinc/18/10/19/1073181019.db2.gz VEDKGSQHCLFCIO-ICSRJNTNSA-N 1 0 408.949 3.745 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000588780338 1073206373 /nfs/dbraw/zinc/20/63/73/1073206373.db2.gz VSMSULCDKKLNMU-ZEQRLZLVSA-N 1 0 420.557 3.733 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000555161835 1073221678 /nfs/dbraw/zinc/22/16/78/1073221678.db2.gz YUEFUEPERVLMQM-NHCUHLMSSA-N 1 0 408.571 3.684 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000555248707 1073278853 /nfs/dbraw/zinc/27/88/53/1073278853.db2.gz UNEBZWNNTOEOSI-FQEVSTJZSA-N 1 0 417.557 3.833 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000555253643 1073282908 /nfs/dbraw/zinc/28/29/08/1073282908.db2.gz NYWMGHKLIFBBGD-UHFFFAOYSA-N 1 0 404.518 3.560 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000588967163 1073363121 /nfs/dbraw/zinc/36/31/21/1073363121.db2.gz PYKMXAWPQADSMC-ZIAGYGMSSA-N 1 0 411.449 3.528 20 30 HHEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000589944697 1073430502 /nfs/dbraw/zinc/43/05/02/1073430502.db2.gz AQOQRCLECQMOSK-UHFFFAOYSA-N 1 0 407.301 3.521 20 30 HHEDRO N#Cc1cccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000590041983 1073500654 /nfs/dbraw/zinc/50/06/54/1073500654.db2.gz KKFYVCDCCXHDLY-QHCPKHFHSA-N 1 0 411.509 3.655 20 30 HHEDRO N#Cc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cnc1C(F)(F)F ZINC000590180323 1073627293 /nfs/dbraw/zinc/62/72/93/1073627293.db2.gz HZAGLABIOUOVCH-UHFFFAOYSA-N 1 0 402.420 3.614 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000590194854 1073643527 /nfs/dbraw/zinc/64/35/27/1073643527.db2.gz PWBPXTIHSYHJRP-HSZRJFAPSA-N 1 0 421.541 3.923 20 30 HHEDRO N#Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cnc1C(F)(F)F ZINC000555618176 1073683614 /nfs/dbraw/zinc/68/36/14/1073683614.db2.gz KDSSTMNXMJKUAP-UHFFFAOYSA-N 1 0 420.460 3.816 20 30 HHEDRO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000590532190 1073909525 /nfs/dbraw/zinc/90/95/25/1073909525.db2.gz PVCAYBPPDCHHQJ-FCHUYYIVSA-N 1 0 408.571 3.668 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000555871758 1073916296 /nfs/dbraw/zinc/91/62/96/1073916296.db2.gz AKISOKZBFJNLFB-NVXWUHKLSA-N 1 0 424.570 3.807 20 30 HHEDRO Cn1ccnc1-c1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000573406105 1074398650 /nfs/dbraw/zinc/39/86/50/1074398650.db2.gz OYNDJZBGUNGVRM-UHFFFAOYSA-N 1 0 402.502 3.554 20 30 HHEDRO N#Cc1ccc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c(C(F)(F)F)c1 ZINC000573409694 1074400981 /nfs/dbraw/zinc/40/09/81/1074400981.db2.gz PUUAGQIXBOAITI-SFHVURJKSA-N 1 0 416.447 3.886 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc(OC)c1OC ZINC000591583378 1074427345 /nfs/dbraw/zinc/42/73/45/1074427345.db2.gz BZCWMTVMSMVFEI-HXUWFJFHSA-N 1 0 401.551 3.592 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccccc3)n2[C@@H](C)CC)CC1 ZINC000592069250 1074687266 /nfs/dbraw/zinc/68/72/66/1074687266.db2.gz UCKJDVVROFDPHS-KRWDZBQOSA-N 1 0 413.591 3.775 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1 ZINC000592077172 1074688191 /nfs/dbraw/zinc/68/81/91/1074688191.db2.gz IIKZRUNYWKBLPJ-JOCHJYFZSA-N 1 0 413.606 3.895 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1 ZINC000592077173 1074688253 /nfs/dbraw/zinc/68/82/53/1074688253.db2.gz IIKZRUNYWKBLPJ-QFIPXVFZSA-N 1 0 413.606 3.895 20 30 HHEDRO C=C(C)CN1CCC([NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC000592291172 1074717256 /nfs/dbraw/zinc/71/72/56/1074717256.db2.gz RLOMYCVVCWPVQH-UHFFFAOYSA-N 1 0 412.603 3.777 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000592302014 1074719514 /nfs/dbraw/zinc/71/95/14/1074719514.db2.gz QSYZCFVNAFUUJI-BETUJISGSA-N 1 0 401.395 3.799 20 30 HHEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000573983840 1074748434 /nfs/dbraw/zinc/74/84/34/1074748434.db2.gz GCCKXCIONYNYGY-UHFFFAOYSA-N 1 0 422.577 3.560 20 30 HHEDRO Oc1ccc(Br)cc1/C=N/C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760977986 1074770013 /nfs/dbraw/zinc/77/00/13/1074770013.db2.gz FUDFJPSNBQWTDI-OZNZCJATSA-N 1 0 403.320 3.865 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000575205301 1075484055 /nfs/dbraw/zinc/48/40/55/1075484055.db2.gz RWBXQYRCTPEQPY-PKOBYXMFSA-N 1 0 400.542 3.540 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)cnc2Cl)cc1 ZINC001164409797 718865909 /nfs/dbraw/zinc/86/59/09/718865909.db2.gz UIMBKSVRLSCRJW-APWZRJJASA-N 1 0 418.875 3.633 20 30 HHEDRO COc1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c(C#N)c(Cl)n1 ZINC001164618325 719046606 /nfs/dbraw/zinc/04/66/06/719046606.db2.gz ANIFBEMOLJQYLF-FXAWDEMLSA-N 1 0 418.875 3.744 20 30 HHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625242 719066852 /nfs/dbraw/zinc/06/68/52/719066852.db2.gz NBRKZSAAPFYFMV-NVXWUHKLSA-N 1 0 417.966 3.761 20 30 HHEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c(Cl)nn2)cc1 ZINC001164621898 719126202 /nfs/dbraw/zinc/12/62/02/719126202.db2.gz NMYDEJZUTPZUFY-HOCLYGCPSA-N 1 0 421.854 3.727 20 30 HHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c(Cl)nn2)c1 ZINC001164625547 719126374 /nfs/dbraw/zinc/12/63/74/719126374.db2.gz YFYYMQSGCRMCSC-GOEBONIOSA-N 1 0 421.854 3.727 20 30 HHEDRO Cc1cccc2nc(Cl)c(C#N)c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164679940 719653834 /nfs/dbraw/zinc/65/38/34/719653834.db2.gz ATRMHXDSIBNXJS-UHFFFAOYSA-N 1 0 408.937 3.740 20 30 HHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1C#N)CC2 ZINC001164712550 720133273 /nfs/dbraw/zinc/13/32/73/720133273.db2.gz NKQPLYQEJRJRBL-HXUWFJFHSA-N 1 0 411.937 3.509 20 30 HHEDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)c(C)c1Cl ZINC001164839036 720511344 /nfs/dbraw/zinc/51/13/44/720511344.db2.gz SADDLIOAHYBUBL-CMKODMSKSA-N 1 0 412.969 3.798 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3[nH]c(C#N)cc3n1)CC2 ZINC001164842380 720710466 /nfs/dbraw/zinc/71/04/66/720710466.db2.gz YYUNUEXFDAWVJH-FQEVSTJZSA-N 1 0 401.514 3.694 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1C#N)[C@@H]2C ZINC001164863173 720949792 /nfs/dbraw/zinc/94/97/92/720949792.db2.gz YNYFTXJCIHXYGC-CYBMUJFWSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc(Cl)n1 ZINC001164907171 721532528 /nfs/dbraw/zinc/53/25/28/721532528.db2.gz MQBGJNLQGYCREK-FUHWJXTLSA-N 1 0 422.838 3.633 20 30 HHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(C#C[Si](C)(C)C)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164807705 721589343 /nfs/dbraw/zinc/58/93/43/721589343.db2.gz PRDYQHQWJWNXJZ-WMTXJRDZSA-N 1 0 420.633 3.574 20 30 HHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(Cl)cc2C#N)CC1 ZINC001165022670 721842711 /nfs/dbraw/zinc/84/27/11/721842711.db2.gz RSZDTEWYGXWCMB-UHFFFAOYSA-N 1 0 400.910 3.725 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000301875036 971094784 /nfs/dbraw/zinc/09/47/84/971094784.db2.gz MBRIVARLUAXRNX-MSOLQXFVSA-N 1 0 424.451 3.755 20 30 HHEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1Br ZINC000302749192 971300913 /nfs/dbraw/zinc/30/09/13/971300913.db2.gz DHEUCLNDLXSBRZ-UONOGXRCSA-N 1 0 408.340 3.839 20 30 HHEDRO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)CC1CCCCC1 ZINC000303429078 971711342 /nfs/dbraw/zinc/71/13/42/971711342.db2.gz CWRBKBUCFHATCP-UHFFFAOYSA-N 1 0 415.603 3.882 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000303458206 971762290 /nfs/dbraw/zinc/76/22/90/971762290.db2.gz FGAJDWPKRGKRGG-IBGZPJMESA-N 1 0 413.587 3.638 20 30 HHEDRO C[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000303471076 971772802 /nfs/dbraw/zinc/77/28/02/971772802.db2.gz NCROOFBPHBYDOP-SFHVURJKSA-N 1 0 403.482 3.981 20 30 HHEDRO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000303523548 971824065 /nfs/dbraw/zinc/82/40/65/971824065.db2.gz PXTGHYILRTVZIH-OAHLLOKOSA-N 1 0 403.885 3.708 20 30 HHEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000303777512 972022039 /nfs/dbraw/zinc/02/20/39/972022039.db2.gz IWBLZQIFDQIYFW-LJQANCHMSA-N 1 0 400.523 3.522 20 30 HHEDRO [NH2+]=C(NCc1ccc(NC(=O)c2ccco2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303793809 972031415 /nfs/dbraw/zinc/03/14/15/972031415.db2.gz ZVVWDYXBMGBTTJ-UHFFFAOYSA-N 1 0 406.442 3.620 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303793950 972031790 /nfs/dbraw/zinc/03/17/90/972031790.db2.gz VJUIKZOJRNSZBW-XXBNENTESA-N 1 0 421.589 3.858 20 30 HHEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC000542212525 1013159088 /nfs/dbraw/zinc/15/90/88/1013159088.db2.gz OHQZLGDZGSUPJF-KRWDZBQOSA-N 1 0 413.319 3.761 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000553203001 1013162943 /nfs/dbraw/zinc/16/29/43/1013162943.db2.gz UIAVQKQKQIMUDJ-REWPJTCUSA-N 1 0 411.590 3.751 20 30 HHEDRO COc1ccc(-n2ccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000303869741 972410808 /nfs/dbraw/zinc/41/08/08/972410808.db2.gz FCELCORGVTUCPT-UHFFFAOYSA-N 1 0 405.380 3.706 20 30 HHEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000303877337 972418557 /nfs/dbraw/zinc/41/85/57/972418557.db2.gz IMBSRDHJSIRCIA-QZTJIDSGSA-N 1 0 422.573 3.988 20 30 HHEDRO [NH2+]=C(NCc1ccccc1CN1CCCC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000303883840 972424897 /nfs/dbraw/zinc/42/48/97/972424897.db2.gz IUIJNKKNAHGLDR-UHFFFAOYSA-N 1 0 406.408 3.634 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(NC(=O)C3CCCCC3)c2)cc1OC ZINC000303902539 972472162 /nfs/dbraw/zinc/47/21/62/972472162.db2.gz XVZYTYSPTBCZIT-UHFFFAOYSA-N 1 0 424.545 3.827 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(C(=O)N[C@@H](C)CC)c2)c1 ZINC000303905058 972475587 /nfs/dbraw/zinc/47/55/87/972475587.db2.gz VIMYGECFCOQSOW-INIZCTEOSA-N 1 0 412.534 3.939 20 30 HHEDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 ZINC000553231652 1013196792 /nfs/dbraw/zinc/19/67/92/1013196792.db2.gz XCNMNHMPFFBQAF-INIZCTEOSA-N 1 0 406.486 3.916 20 30 HHEDRO C=CCc1cc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)cc(OC)c1O ZINC000537649845 1013210131 /nfs/dbraw/zinc/21/01/31/1013210131.db2.gz ISSCHJQIHFNWJG-QGZVFWFLSA-N 1 0 414.468 3.752 20 30 HHEDRO CN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000553287515 1013243976 /nfs/dbraw/zinc/24/39/76/1013243976.db2.gz UHCMRXKZYLDFBU-IBGZPJMESA-N 1 0 400.954 3.513 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc3c(c2)OCCO3)[n+]2ccccc2)c(C)n1C ZINC000010179737 961756963 /nfs/dbraw/zinc/75/69/63/961756963.db2.gz VZDMVZAZRPQKSX-UHFFFAOYSA-O 1 0 422.530 3.752 20 30 HHEDRO C[NH+](C)C1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CCCCCC1 ZINC000553341432 1013286049 /nfs/dbraw/zinc/28/60/49/1013286049.db2.gz XBYXYNPNRPHTPV-UHFFFAOYSA-N 1 0 416.541 3.905 20 30 HHEDRO COc1ccc(-c2cc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)on2)cc1 ZINC000021406654 963460890 /nfs/dbraw/zinc/46/08/90/963460890.db2.gz KHARLIIWIUVHLR-UHFFFAOYSA-N 1 0 402.498 3.930 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000553537798 1013434277 /nfs/dbraw/zinc/43/42/77/1013434277.db2.gz SJGUKRPSIXOMBE-OYDLWJJNSA-N 1 0 419.569 3.979 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1Br)C(=S)NC1CC1 ZINC000022688343 963697318 /nfs/dbraw/zinc/69/73/18/963697318.db2.gz MVZYWKLDCIXLSP-UHFFFAOYSA-O 1 0 404.353 3.990 20 30 HHEDRO COc1ccc(CNC(=S)C(C(=O)c2ccc(F)c(F)c2)[n+]2ccccc2)cc1 ZINC000022692675 963699585 /nfs/dbraw/zinc/69/95/85/963699585.db2.gz HQXQVJOGFNFESK-UHFFFAOYSA-O 1 0 413.469 3.990 20 30 HHEDRO CNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc2c(c1)CCCC2 ZINC000022733870 963705938 /nfs/dbraw/zinc/70/59/38/963705938.db2.gz UXAWXXJJGSAACC-UHFFFAOYSA-O 1 0 404.353 3.774 20 30 HHEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(CO)c2)s1 ZINC000022790885 963718136 /nfs/dbraw/zinc/71/81/36/963718136.db2.gz UNHIGOBETGTTPB-UHFFFAOYSA-O 1 0 411.572 3.607 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 ZINC000022795701 963718759 /nfs/dbraw/zinc/71/87/59/963718759.db2.gz TVKUWDUCDPMTCP-UHFFFAOYSA-O 1 0 410.519 3.866 20 30 HHEDRO Cc1ccc2c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1C ZINC000022819156 963723086 /nfs/dbraw/zinc/72/30/86/963723086.db2.gz AFHICOUTYWDZRQ-UHFFFAOYSA-N 1 0 401.510 3.989 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000537867158 1013440714 /nfs/dbraw/zinc/44/07/14/1013440714.db2.gz FUZNRTNSIVFREX-UHFFFAOYSA-N 1 0 406.530 3.869 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000542532001 1013475417 /nfs/dbraw/zinc/47/54/17/1013475417.db2.gz FNFOBUHHPLTYQD-JTQLQIEISA-N 1 0 413.831 3.877 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)c(OC)c1 ZINC000025186779 964203684 /nfs/dbraw/zinc/20/36/84/964203684.db2.gz DFVQWBRGYZUQPI-UHFFFAOYSA-N 1 0 423.557 3.892 20 30 HHEDRO CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000542533841 1013478253 /nfs/dbraw/zinc/47/82/53/1013478253.db2.gz PWFPOFQRPHYGMG-LEWJYISDSA-N 1 0 402.970 3.621 20 30 HHEDRO COc1cc(CCC2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000025307322 964238458 /nfs/dbraw/zinc/23/84/58/964238458.db2.gz YRHGGNLGPSMWOH-QFIPXVFZSA-N 1 0 424.541 3.660 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000025942704 964397413 /nfs/dbraw/zinc/39/74/13/964397413.db2.gz JEVOLRSFILGGIU-OAHLLOKOSA-N 1 0 406.555 3.729 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C1CCCC1 ZINC000026448006 964566636 /nfs/dbraw/zinc/56/66/36/964566636.db2.gz GXKWPDWJENQROB-UHFFFAOYSA-N 1 0 408.546 3.854 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(-c2ccsc2)no1 ZINC000052485685 964915976 /nfs/dbraw/zinc/91/59/76/964915976.db2.gz CULTVPOWVZJXQO-UHFFFAOYSA-N 1 0 416.576 3.896 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000052485688 964916000 /nfs/dbraw/zinc/91/60/00/964916000.db2.gz MAFATDHNRVSUTP-QRVBRYPASA-N 1 0 419.639 3.668 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000052579748 964933678 /nfs/dbraw/zinc/93/36/78/964933678.db2.gz PQTMNBLXGHTQEV-UHFFFAOYSA-N 1 0 415.493 3.908 20 30 HHEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000052825612 964994614 /nfs/dbraw/zinc/99/46/14/964994614.db2.gz UGQRHKWKPYEVTF-UHFFFAOYSA-N 1 0 411.303 3.741 20 30 HHEDRO C=CCn1c(=S)n(CN2CC[NH+](CCc3ccccc3)CC2)nc1-c1ccco1 ZINC000028812715 965189379 /nfs/dbraw/zinc/18/93/79/965189379.db2.gz XEMGRYRZCVAQTJ-UHFFFAOYSA-N 1 0 409.559 3.678 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000028960640 965226056 /nfs/dbraw/zinc/22/60/56/965226056.db2.gz OMSSGWUZFIQOSJ-UHFFFAOYSA-N 1 0 416.447 3.723 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)sc2C1 ZINC000054423644 965510336 /nfs/dbraw/zinc/51/03/36/965510336.db2.gz VCEIXYPFFBQNEG-QGZVFWFLSA-N 1 0 408.571 3.895 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccc4c(c3)OCO4)sc2C1 ZINC000054427368 965512942 /nfs/dbraw/zinc/51/29/42/965512942.db2.gz JZBQFXMJANEICO-CQSZACIVSA-N 1 0 411.527 3.934 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054785368 965646808 /nfs/dbraw/zinc/64/68/08/965646808.db2.gz GDIBJCVTAIXDMR-OAQYLSRUSA-N 1 0 410.493 3.684 20 30 HHEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000055055429 965746136 /nfs/dbraw/zinc/74/61/36/965746136.db2.gz WMVSFAKOHWNMDR-OAQYLSRUSA-N 1 0 404.514 3.541 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000058580513 965792937 /nfs/dbraw/zinc/79/29/37/965792937.db2.gz UVWUWEZEWLAYEX-QGZVFWFLSA-N 1 0 420.340 3.817 20 30 HHEDRO CC(C)Oc1ncc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000055388373 965837638 /nfs/dbraw/zinc/83/76/38/965837638.db2.gz HDJHEXZVXGORLD-UHFFFAOYSA-N 1 0 400.910 3.598 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000058880815 965938906 /nfs/dbraw/zinc/93/89/06/965938906.db2.gz VVSHYTOAMKBAHN-UHFFFAOYSA-N 1 0 400.563 3.917 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000059406766 966022712 /nfs/dbraw/zinc/02/27/12/966022712.db2.gz DADUEFKRKPYDTE-KDURUIRLSA-N 1 0 421.541 3.740 20 30 HHEDRO Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000060278615 966084083 /nfs/dbraw/zinc/08/40/83/966084083.db2.gz XWMYZJDCMLWQSC-UHFFFAOYSA-N 1 0 412.584 3.850 20 30 HHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000538055031 1013630968 /nfs/dbraw/zinc/63/09/68/1013630968.db2.gz FIXTUVMEXPPLHG-HXUWFJFHSA-N 1 0 418.541 3.525 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000060534975 966194903 /nfs/dbraw/zinc/19/49/03/966194903.db2.gz SUQOAIUIHLPSTR-UHFFFAOYSA-N 1 0 420.557 3.902 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOc3ccc(F)cc3Cl)CC2)cc1 ZINC000056291461 966290424 /nfs/dbraw/zinc/29/04/24/966290424.db2.gz JHHNUBXXXRAPBM-UHFFFAOYSA-N 1 0 415.896 3.854 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC ZINC000060948897 966334503 /nfs/dbraw/zinc/33/45/03/966334503.db2.gz FKDHFXIRTAQJGH-KRWDZBQOSA-N 1 0 418.559 3.751 20 30 HHEDRO Cc1cc(C)n(Cc2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000061160651 966384961 /nfs/dbraw/zinc/38/49/61/966384961.db2.gz WDRDVKDMLHUJSR-UHFFFAOYSA-N 1 0 415.541 3.624 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061227983 966402382 /nfs/dbraw/zinc/40/23/82/966402382.db2.gz ORLPVFHVPZEZAX-UHFFFAOYSA-N 1 0 422.529 3.954 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000062601974 966715543 /nfs/dbraw/zinc/71/55/43/966715543.db2.gz QMNLSWIWDQDGEI-UHFFFAOYSA-N 1 0 419.569 3.911 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000063320465 966817457 /nfs/dbraw/zinc/81/74/57/966817457.db2.gz MXBNAINNLSOKPT-UHFFFAOYSA-N 1 0 403.530 3.920 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1OC ZINC000063526228 966883081 /nfs/dbraw/zinc/88/30/81/966883081.db2.gz RONFSJLUPZWMAZ-UHFFFAOYSA-N 1 0 418.559 3.579 20 30 HHEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000063561450 966890351 /nfs/dbraw/zinc/89/03/51/966890351.db2.gz XSCLMRUNYXMMLM-KDURUIRLSA-N 1 0 424.541 3.799 20 30 HHEDRO N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCC[NH+]2CCCCC2)c1 ZINC000063812446 966966675 /nfs/dbraw/zinc/96/66/75/966966675.db2.gz LSCOTLMFDAQCPZ-UHFFFAOYSA-N 1 0 422.554 3.505 20 30 HHEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)ccc1OCc1ccccc1 ZINC000538154308 1013714505 /nfs/dbraw/zinc/71/45/05/1013714505.db2.gz CRIFCSBDWQMVAU-MZNJEOGPSA-N 1 0 407.514 3.733 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc(OC)c1OC ZINC000065378609 967447890 /nfs/dbraw/zinc/44/78/90/967447890.db2.gz RPEDFPOKVGOFGS-HXUWFJFHSA-N 1 0 403.567 3.742 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccccc3OC(F)F)CC2)cc1 ZINC000045412389 967454899 /nfs/dbraw/zinc/45/48/99/967454899.db2.gz NUCMAUXCHHPWTK-UHFFFAOYSA-N 1 0 414.456 3.577 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(C)C ZINC000046049223 967647771 /nfs/dbraw/zinc/64/77/71/967647771.db2.gz RUAMFYMITKDPFE-IRLDBZIGSA-N 1 0 412.578 3.745 20 30 HHEDRO C[C@H](OC[C@@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086923 967656723 /nfs/dbraw/zinc/65/67/23/967656723.db2.gz ICAWFWLOMYDHHY-AVRDEDQJSA-N 1 0 413.949 3.862 20 30 HHEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1cc2c(cc1Br)OCCO2 ZINC000538181515 1013740632 /nfs/dbraw/zinc/74/06/32/1013740632.db2.gz ZRMQZRSIKMGKEE-ZDUSSCGKSA-N 1 0 403.276 3.822 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c1C#N ZINC000542912106 1013752381 /nfs/dbraw/zinc/75/23/81/1013752381.db2.gz SIDXKNGWJMCMED-QFIPXVFZSA-N 1 0 402.498 3.536 20 30 HHEDRO Cc1oc(-c2ccccc2)nc1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047010269 968030150 /nfs/dbraw/zinc/03/01/50/968030150.db2.gz BNWSWLFTTSXJSY-UHFFFAOYSA-N 1 0 402.498 3.655 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000047186830 968081370 /nfs/dbraw/zinc/08/13/70/968081370.db2.gz NHPFXVQVPGUOFW-GOSISDBHSA-N 1 0 407.514 3.636 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942757 1013775399 /nfs/dbraw/zinc/77/53/99/1013775399.db2.gz SWASIPWPKIROMK-KRWDZBQOSA-N 1 0 413.477 3.921 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000538224115 1013773822 /nfs/dbraw/zinc/77/38/22/1013773822.db2.gz LPMPIQRCXGVCEH-HNNXBMFYSA-N 1 0 402.491 3.611 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)ccc1Cl ZINC000538229978 1013779015 /nfs/dbraw/zinc/77/90/15/1013779015.db2.gz WGPXRIAZTMFRJX-QGZVFWFLSA-N 1 0 422.920 3.827 20 30 HHEDRO CCC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000047740195 968293936 /nfs/dbraw/zinc/29/39/36/968293936.db2.gz FXMXOFMGLZABEB-JOCHJYFZSA-N 1 0 419.525 3.905 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000048160125 968462395 /nfs/dbraw/zinc/46/23/95/968462395.db2.gz KNISXASWAVRPOX-UHFFFAOYSA-N 1 0 406.530 3.651 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)CC1 ZINC000048229047 968493230 /nfs/dbraw/zinc/49/32/30/968493230.db2.gz NNDQXGAXKMXXTM-UHFFFAOYSA-N 1 0 408.571 3.568 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000065930113 968719441 /nfs/dbraw/zinc/71/94/41/968719441.db2.gz IDESEGLCYNKMLL-UHFFFAOYSA-N 1 0 417.553 3.990 20 30 HHEDRO COc1ccc2c(c1)CCC[C@H]2CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930191 968720544 /nfs/dbraw/zinc/72/05/44/968720544.db2.gz GOXIQKBHCOJKDN-QFIPXVFZSA-N 1 0 405.542 3.967 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCc2cccnc2)c1 ZINC000065930413 968720580 /nfs/dbraw/zinc/72/05/80/968720580.db2.gz AXHAGYNFNJBARV-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000109940519 969598012 /nfs/dbraw/zinc/59/80/12/969598012.db2.gz SYBXALWCMXDZCP-OAQYLSRUSA-N 1 0 422.554 3.554 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1C#N ZINC000554280355 1013891888 /nfs/dbraw/zinc/89/18/88/1013891888.db2.gz IHVDHORNSMDWMI-PGRDOPGGSA-N 1 0 423.536 3.602 20 30 HHEDRO CC(C)(C#N)CCCN(CCN1CCOCC1)Cc1sccc1Br ZINC000554285655 1013894106 /nfs/dbraw/zinc/89/41/06/1013894106.db2.gz QMBZXYZQKRTXTH-UHFFFAOYSA-N 1 0 414.413 3.975 20 30 HHEDRO N#CCCn1cc(C(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c2ccccc21 ZINC000110738466 969715700 /nfs/dbraw/zinc/71/57/00/969715700.db2.gz ZGQQHUOFSFFCDT-UHFFFAOYSA-N 1 0 400.526 3.946 20 30 HHEDRO CC[N@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000110982738 969753675 /nfs/dbraw/zinc/75/36/75/969753675.db2.gz XIJSWTMUQDFUGR-MRXNPFEDSA-N 1 0 411.502 3.996 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(OC)c1 ZINC000116277870 969884195 /nfs/dbraw/zinc/88/41/95/969884195.db2.gz VABGNNRHJCAJNO-OAQYLSRUSA-N 1 0 400.563 3.773 20 30 HHEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000195662321 969940538 /nfs/dbraw/zinc/94/05/38/969940538.db2.gz AGHJTYYYGMBHII-WZONZLPQSA-N 1 0 415.493 3.901 20 30 HHEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3C[C@@H]2CCCO2)cc1 ZINC000195674223 969947798 /nfs/dbraw/zinc/94/77/98/969947798.db2.gz FVDRVSBCQXCCIZ-NRFANRHFSA-N 1 0 416.525 3.597 20 30 HHEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000195701022 969967734 /nfs/dbraw/zinc/96/77/34/969967734.db2.gz FCEMNVDZROOBRZ-UHFFFAOYSA-N 1 0 416.529 3.957 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cccc(Cl)c2)C(=S)NCc2ccon2)cc1 ZINC000131277633 969974242 /nfs/dbraw/zinc/97/42/42/969974242.db2.gz SVWKFXABXJALCP-UHFFFAOYSA-O 1 0 400.911 3.907 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(OCC)c(OCC)cc2Br)CC1 ZINC000195717381 969977981 /nfs/dbraw/zinc/97/79/81/969977981.db2.gz GNLAJEHEXMCRRU-UHFFFAOYSA-N 1 0 409.324 3.530 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000554404829 1013935217 /nfs/dbraw/zinc/93/52/17/1013935217.db2.gz AWBSEDCOKWZCNF-JOCHJYFZSA-N 1 0 424.545 3.838 20 30 HHEDRO C[NH+](C)CCn1cc(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)cn1 ZINC000139528946 970035257 /nfs/dbraw/zinc/03/52/57/970035257.db2.gz YMJKCCVPRKGUFG-UHFFFAOYSA-N 1 0 418.501 3.734 20 30 HHEDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)C ZINC000141087206 970098131 /nfs/dbraw/zinc/09/81/31/970098131.db2.gz LVUMNXBDCHRNMD-UHFFFAOYSA-N 1 0 408.502 3.524 20 30 HHEDRO C[NH+]1CCN(c2ccc(NCc3cccc(OCc4cccc(C#N)c4)c3)nc2)CC1 ZINC000237113634 970224408 /nfs/dbraw/zinc/22/44/08/970224408.db2.gz CUYHNDGFNSAREN-UHFFFAOYSA-N 1 0 413.525 3.896 20 30 HHEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000237206878 970241295 /nfs/dbraw/zinc/24/12/95/970241295.db2.gz SUMOTHYCRULFFO-UHFFFAOYSA-N 1 0 402.498 3.849 20 30 HHEDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000145903435 970275530 /nfs/dbraw/zinc/27/55/30/970275530.db2.gz DSBQIUHYUBDYQZ-UHFFFAOYSA-N 1 0 406.507 3.831 20 30 HHEDRO COc1ccc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1OCCCC#N ZINC000237473952 970294651 /nfs/dbraw/zinc/29/46/51/970294651.db2.gz OBKNVRILHMESEE-OALUTQOASA-N 1 0 424.545 3.676 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(Cc4cccc(C(F)(F)F)c4)CC3)n2c1 ZINC000237743645 970351843 /nfs/dbraw/zinc/35/18/43/970351843.db2.gz UCCOZPDLCHKWLF-UHFFFAOYSA-N 1 0 413.447 3.979 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2CN2CCOCC2)c(-c2ccccc2)n1 ZINC000237831512 970376100 /nfs/dbraw/zinc/37/61/00/970376100.db2.gz YTTKOROFJJHKEH-UHFFFAOYSA-N 1 0 415.541 3.586 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccncc3)n2c1 ZINC000237857129 970383439 /nfs/dbraw/zinc/38/34/39/970383439.db2.gz YUKBTGBJOUCRCV-UHFFFAOYSA-N 1 0 405.465 3.743 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000238020773 970419918 /nfs/dbraw/zinc/41/99/18/970419918.db2.gz PODNZZISNMXENM-UHFFFAOYSA-N 1 0 406.507 3.701 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NCc2ccon2)cc1 ZINC000268751303 970720841 /nfs/dbraw/zinc/72/08/41/970720841.db2.gz VEVNGEUMYOTNPX-UHFFFAOYSA-O 1 0 400.549 3.931 20 30 HHEDRO Cc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000303974500 972561130 /nfs/dbraw/zinc/56/11/30/972561130.db2.gz HXACBGBFHVRFRO-LJQANCHMSA-N 1 0 406.452 3.814 20 30 HHEDRO C[C@@H](NC(=[NH2+])NCCCc1nnc2n1CCCCC2)c1ccc(Cl)cc1Cl ZINC000303982994 972567334 /nfs/dbraw/zinc/56/73/34/972567334.db2.gz QRCNAAFMQODRMJ-CYBMUJFWSA-N 1 0 409.365 3.909 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000303988018 972569434 /nfs/dbraw/zinc/56/94/34/972569434.db2.gz WBSNPXZJIQULDI-LJQANCHMSA-N 1 0 422.451 3.514 20 30 HHEDRO CCNC(=O)COc1cccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304465899 972599914 /nfs/dbraw/zinc/59/99/14/972599914.db2.gz BJSRJOOMVGVKHP-UHFFFAOYSA-N 1 0 418.497 3.921 20 30 HHEDRO N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304651047 972602996 /nfs/dbraw/zinc/60/29/96/972602996.db2.gz GSAFXLLNBMWLDQ-UHFFFAOYSA-N 1 0 413.529 3.564 20 30 HHEDRO CN(C)[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000304744276 972604278 /nfs/dbraw/zinc/60/42/78/972604278.db2.gz DMUSAMXZZHWONO-MRXNPFEDSA-N 1 0 416.394 3.571 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCCCc2ccc(Br)cc2F)cc1OC ZINC000304762825 972605304 /nfs/dbraw/zinc/60/53/04/972605304.db2.gz WAMNJFOLUPXNHO-UHFFFAOYSA-N 1 0 410.287 3.965 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NCC2(c3ccccc3Br)CC2)c1 ZINC000304764339 972605572 /nfs/dbraw/zinc/60/55/72/972605572.db2.gz XXEKJSDFRCOWQI-UHFFFAOYSA-N 1 0 404.308 3.925 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCC2(c3ccccc3Cl)CCOCC2)cc1OC ZINC000304758316 972605589 /nfs/dbraw/zinc/60/55/89/972605589.db2.gz PVHJEGVQJVHNEQ-UHFFFAOYSA-N 1 0 417.937 3.510 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccccc3Br)CC2)cc1OC ZINC000304764563 972605625 /nfs/dbraw/zinc/60/56/25/972605625.db2.gz YDQWCTBPQPFQPC-UHFFFAOYSA-N 1 0 404.308 3.925 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 ZINC000304775804 972606473 /nfs/dbraw/zinc/60/64/73/972606473.db2.gz CSIQNZSQGKPWLK-UHFFFAOYSA-N 1 0 419.508 3.948 20 30 HHEDRO [NH2+]=C(NCCC1CCN(CC(F)(F)F)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304799885 972606800 /nfs/dbraw/zinc/60/68/00/972606800.db2.gz OGHPHLJPFNHVMM-UHFFFAOYSA-N 1 0 412.378 3.976 20 30 HHEDRO [NH2+]=C(NCc1cc2c(cc1OC(F)F)OCO2)Nc1ccc(OC(F)(F)F)cc1 ZINC000305038489 972608609 /nfs/dbraw/zinc/60/86/09/972608609.db2.gz UHNXFYUDAQMCCM-UHFFFAOYSA-N 1 0 419.306 3.842 20 30 HHEDRO COc1cccc(N2CC[C@H](CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)C2)c1 ZINC000305206522 972609924 /nfs/dbraw/zinc/60/99/24/972609924.db2.gz GISDTUWHKNFYQP-CQSZACIVSA-N 1 0 408.424 3.847 20 30 HHEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCN(c2ccccc2)CC1 ZINC000305212121 972610438 /nfs/dbraw/zinc/61/04/38/972610438.db2.gz HHXQARAWWOMGSR-MRXNPFEDSA-N 1 0 421.467 3.523 20 30 HHEDRO [NH2+]=C(NC[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)CCC2 ZINC000305176632 972610475 /nfs/dbraw/zinc/61/04/75/972610475.db2.gz VLEWHCJERWJYIQ-HNNXBMFYSA-N 1 0 407.436 3.652 20 30 HHEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)cn2)n1 ZINC000305217389 972611702 /nfs/dbraw/zinc/61/17/02/972611702.db2.gz INMNDGGDSPPTEI-UHFFFAOYSA-N 1 0 404.396 3.710 20 30 HHEDRO [NH2+]=C(NCc1cc2c(cc1OC(F)F)OCO2)Nc1ccccc1OC(F)(F)F ZINC000305260342 972611829 /nfs/dbraw/zinc/61/18/29/972611829.db2.gz XRTCZOVCKVCKRL-UHFFFAOYSA-N 1 0 419.306 3.842 20 30 HHEDRO COc1cccc(NC(=[NH2+])NCCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000305448505 972613312 /nfs/dbraw/zinc/61/33/12/972613312.db2.gz QMCWDROBELAQCL-UHFFFAOYSA-N 1 0 402.804 3.958 20 30 HHEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000328604664 972767352 /nfs/dbraw/zinc/76/73/52/972767352.db2.gz KTJCLXOTEVWWLH-OAQYLSRUSA-N 1 0 419.529 3.802 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 ZINC000409463613 972910729 /nfs/dbraw/zinc/91/07/29/972910729.db2.gz LUFXLYWEYVHUTQ-IBGZPJMESA-N 1 0 413.525 3.906 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)c1ccc(C#N)cc1 ZINC000554848573 1014073914 /nfs/dbraw/zinc/07/39/14/1014073914.db2.gz NYGUTDVUBIVFAO-OLZOCXBDSA-N 1 0 416.403 3.601 20 30 HHEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1Cl ZINC000409721750 973195991 /nfs/dbraw/zinc/19/59/91/973195991.db2.gz HSZCVMCLNBPRGW-UHFFFAOYSA-N 1 0 409.877 3.590 20 30 HHEDRO COc1cccc([C@H]2[C@@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CC[N@@H+]2C2CC2)c1 ZINC000409735625 973210344 /nfs/dbraw/zinc/21/03/44/973210344.db2.gz YLWHCKPXDSSGRU-PXNSSMCTSA-N 1 0 402.420 4.371 20 30 HHEDRO N#CC1(CCC[NH+]2CCN(Cc3ccc(Br)cc3)CC2)CCOCC1 ZINC000410412651 974010751 /nfs/dbraw/zinc/01/07/51/974010751.db2.gz DRBQEKAKUNMGHY-UHFFFAOYSA-N 1 0 406.368 3.667 20 30 HHEDRO C[C@](C#N)(NC(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000425928531 974038362 /nfs/dbraw/zinc/03/83/62/974038362.db2.gz YKSUFNDHVBSRQS-PKOBYXMFSA-N 1 0 408.315 3.827 20 30 HHEDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000426055975 974178073 /nfs/dbraw/zinc/17/80/73/974178073.db2.gz WEMGLRIUTGJGPS-UHFFFAOYSA-N 1 0 403.592 3.573 20 30 HHEDRO CC(C)OCCCNC(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426994476 974806790 /nfs/dbraw/zinc/80/67/90/974806790.db2.gz HHQOEVYQVMBHQM-UHFFFAOYSA-N 1 0 410.480 3.700 20 30 HHEDRO OCCN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000427015284 974826788 /nfs/dbraw/zinc/82/67/88/974826788.db2.gz HSMJNXPDICJDSO-UHFFFAOYSA-N 1 0 413.443 3.796 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000427094089 974898224 /nfs/dbraw/zinc/89/82/24/974898224.db2.gz PCXKCYFZUKZBRR-ZEQRLZLVSA-N 1 0 403.526 3.723 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427480774 975140010 /nfs/dbraw/zinc/14/00/10/975140010.db2.gz QTSRDZSGGAHKQO-RUZDIDTESA-N 1 0 418.541 3.597 20 30 HHEDRO N#CCCn1ncc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1-c1ccccc1 ZINC000428326147 975632670 /nfs/dbraw/zinc/63/26/70/975632670.db2.gz IMMHJLZSEPHCSP-FQEVSTJZSA-N 1 0 403.486 3.624 20 30 HHEDRO CC1CCC([NH+]2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)CC1 ZINC000428719686 976008536 /nfs/dbraw/zinc/00/85/36/976008536.db2.gz QDGPRTLLUMZDBS-UHFFFAOYSA-N 1 0 405.546 3.800 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000428995651 976275748 /nfs/dbraw/zinc/27/57/48/976275748.db2.gz CTOSQEVECSNMJL-AXVVYFOYSA-N 1 0 414.619 3.878 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000428996048 976277302 /nfs/dbraw/zinc/27/73/02/976277302.db2.gz BEGUIJHDMVAMCI-AJYBTWMASA-N 1 0 400.592 3.539 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000429090895 976376147 /nfs/dbraw/zinc/37/61/47/976376147.db2.gz GJVXAPMRSKQZKZ-UHFFFAOYSA-N 1 0 407.514 3.824 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c(OC)c1 ZINC000429153919 976442619 /nfs/dbraw/zinc/44/26/19/976442619.db2.gz FFVXDFVPOWGKJC-ZDPZECHZSA-N 1 0 403.544 3.517 20 30 HHEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000429286082 976568964 /nfs/dbraw/zinc/56/89/64/976568964.db2.gz QKZYFAAKBFSKDL-HXUWFJFHSA-N 1 0 412.331 3.850 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429295057 976575219 /nfs/dbraw/zinc/57/52/19/976575219.db2.gz ACSGBWPSALKPHU-SFHVURJKSA-N 1 0 418.472 3.506 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1C#N ZINC000429323484 976590350 /nfs/dbraw/zinc/59/03/50/976590350.db2.gz WTFUKZIMQNFQKT-GOSISDBHSA-N 1 0 406.530 3.883 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1C#N ZINC000429394712 976669417 /nfs/dbraw/zinc/66/94/17/976669417.db2.gz PBSURXAQBWQODU-GOSISDBHSA-N 1 0 419.573 3.711 20 30 HHEDRO COc1ccccc1-c1ncc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000430017734 977274893 /nfs/dbraw/zinc/27/48/93/977274893.db2.gz UCOYFOMKXVLMSY-UHFFFAOYSA-N 1 0 413.525 3.732 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(F)(F)F ZINC000430167117 977362474 /nfs/dbraw/zinc/36/24/74/977362474.db2.gz GGNRASLNMLYWDB-MRXNPFEDSA-N 1 0 407.392 3.556 20 30 HHEDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(OCc2cccnc2)c1 ZINC000430186470 977378587 /nfs/dbraw/zinc/37/85/87/977378587.db2.gz NIMAXEUEMODKNM-QFIPXVFZSA-N 1 0 416.481 3.589 20 30 HHEDRO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000430188967 977379776 /nfs/dbraw/zinc/37/97/76/977379776.db2.gz ULVKGNFZFZEXJR-FQEVSTJZSA-N 1 0 403.438 3.653 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292802 977453635 /nfs/dbraw/zinc/45/36/35/977453635.db2.gz JUQPDXXPGXULTE-OALUTQOASA-N 1 0 411.571 3.636 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+](Cc3ccc(F)cc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430738193 977718207 /nfs/dbraw/zinc/71/82/07/977718207.db2.gz ADGJWSRNZNDFDY-HSZRJFAPSA-N 1 0 421.516 3.852 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430931381 977895705 /nfs/dbraw/zinc/89/57/05/977895705.db2.gz COCUOFFVHSFZDA-PKTZIBPZSA-N 1 0 403.526 3.713 20 30 HHEDRO C=CCN1C(=O)N([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431036261 977969411 /nfs/dbraw/zinc/96/94/11/977969411.db2.gz VXBPBTGOANSWCM-WWPVKYPJSA-N 1 0 403.526 3.883 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000431038935 977971410 /nfs/dbraw/zinc/97/14/10/977971410.db2.gz UXDWDZWYQMRDDJ-KRWDZBQOSA-N 1 0 410.312 3.786 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000431038936 977971477 /nfs/dbraw/zinc/97/14/77/977971477.db2.gz UXDWDZWYQMRDDJ-QGZVFWFLSA-N 1 0 410.312 3.786 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431388026 978262303 /nfs/dbraw/zinc/26/23/03/978262303.db2.gz LCTGXFORYRBPPQ-DENIHFKCSA-N 1 0 421.541 3.749 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000431760241 978491121 /nfs/dbraw/zinc/49/11/21/978491121.db2.gz RNZALDHJXMFHSJ-AWEZNQCLSA-N 1 0 403.914 3.791 20 30 HHEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000432025550 978651615 /nfs/dbraw/zinc/65/16/15/978651615.db2.gz JVVUFPBTNGJFLK-UHFFFAOYSA-N 1 0 424.570 3.965 20 30 HHEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000432536830 978871495 /nfs/dbraw/zinc/87/14/95/978871495.db2.gz RXJVNGDAPJNADK-LJQANCHMSA-N 1 0 409.555 3.676 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CCCO1 ZINC000432566974 978891663 /nfs/dbraw/zinc/89/16/63/978891663.db2.gz FAEOABYAMQXQJB-IBGZPJMESA-N 1 0 407.514 3.776 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000432573836 978895450 /nfs/dbraw/zinc/89/54/50/978895450.db2.gz NEVHQFJMAPFKKW-UHFFFAOYSA-N 1 0 418.541 3.969 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)[NH+]2CCCC2)cc1 ZINC000432720615 978947885 /nfs/dbraw/zinc/94/78/85/978947885.db2.gz YBBUZHWYCANCTR-HSZRJFAPSA-N 1 0 418.541 3.929 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)nc1 ZINC000432921597 979012420 /nfs/dbraw/zinc/01/24/20/979012420.db2.gz DQMLNDOROOVJRD-JOCHJYFZSA-N 1 0 419.529 3.667 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000433010570 979040977 /nfs/dbraw/zinc/04/09/77/979040977.db2.gz CNMFZCXIGBRLTL-HSZRJFAPSA-N 1 0 405.542 3.876 20 30 HHEDRO Cc1cccc(CN2CCN(C(=O)C[NH2+][C@@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000433012850 979041820 /nfs/dbraw/zinc/04/18/20/979041820.db2.gz VDYSRIBLVSZCLX-DEOSSOPVSA-N 1 0 404.558 3.664 20 30 HHEDRO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433021476 979044324 /nfs/dbraw/zinc/04/43/24/979044324.db2.gz XIQXNTXETSTZTI-LEWJYISDSA-N 1 0 407.514 3.700 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H](O)Cc3ccccc3)sc2C1 ZINC000433065377 979056296 /nfs/dbraw/zinc/05/62/96/979056296.db2.gz CGAHMXWUEKCSIX-FUHWJXTLSA-N 1 0 411.571 3.609 20 30 HHEDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCCO1 ZINC000433110267 979077486 /nfs/dbraw/zinc/07/74/86/979077486.db2.gz OMWZIUVNCWSKBN-GOSISDBHSA-N 1 0 408.502 3.973 20 30 HHEDRO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433128786 979088349 /nfs/dbraw/zinc/08/83/49/979088349.db2.gz XTSWZOJVKBUPQX-QHCPKHFHSA-N 1 0 403.526 3.760 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000433145626 979098472 /nfs/dbraw/zinc/09/84/72/979098472.db2.gz IDVHSBZJDLRUAU-KRWDZBQOSA-N 1 0 412.534 3.738 20 30 HHEDRO CC[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)OCCO2 ZINC000433308268 979227908 /nfs/dbraw/zinc/22/79/08/979227908.db2.gz YBCGAJOAVPXGGK-HXUWFJFHSA-N 1 0 403.486 3.871 20 30 HHEDRO CC[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1ccc2c(c1)OCCO2 ZINC000433308266 979227947 /nfs/dbraw/zinc/22/79/47/979227947.db2.gz YBCGAJOAVPXGGK-FQEVSTJZSA-N 1 0 403.486 3.871 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000433338259 979247013 /nfs/dbraw/zinc/24/70/13/979247013.db2.gz VHSGTVMHGSBXOL-FQEVSTJZSA-N 1 0 406.921 3.881 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433652729 979454396 /nfs/dbraw/zinc/45/43/96/979454396.db2.gz ZCTGLXMSCJEGFG-IBGZPJMESA-N 1 0 422.426 3.916 20 30 HHEDRO CCOC(=O)CC1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCC1 ZINC000434605208 980286764 /nfs/dbraw/zinc/28/67/64/980286764.db2.gz FAOUBYHZXZPTBO-UHFFFAOYSA-N 1 0 403.548 3.683 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)C(C)C ZINC000435037866 980587809 /nfs/dbraw/zinc/58/78/09/980587809.db2.gz YMKCBZCYSIEBSQ-IBGZPJMESA-N 1 0 406.958 3.862 20 30 HHEDRO N#CCCn1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c(-c2ccncc2)n1 ZINC000435137478 980668819 /nfs/dbraw/zinc/66/88/19/980668819.db2.gz MINJGBREZDCFIG-OAQYLSRUSA-N 1 0 406.578 3.947 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C2(c3cccc(C#N)c3)CC2)CCOCC1)c1ccccc1 ZINC000435472183 980885496 /nfs/dbraw/zinc/88/54/96/980885496.db2.gz JYCNAAGVHVIGFQ-LJQANCHMSA-N 1 0 403.526 3.606 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000435539015 980929017 /nfs/dbraw/zinc/92/90/17/980929017.db2.gz CGYRTUWTLNOBMP-HDICACEKSA-N 1 0 414.550 3.699 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1(c3cccc(C#N)c3)CC1)c1ccccc1O2 ZINC000435675292 980983098 /nfs/dbraw/zinc/98/30/98/980983098.db2.gz VCHVCAGJXVFLSK-NRFANRHFSA-N 1 0 401.510 3.694 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](Cc1ccccc1F)C(C)=O ZINC000436181542 981238338 /nfs/dbraw/zinc/23/83/38/981238338.db2.gz DZXQEUFUDPMJTB-FQEVSTJZSA-N 1 0 416.566 3.924 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H](CO)c2ccccc2)c1C#N ZINC000436250757 981269390 /nfs/dbraw/zinc/26/93/90/981269390.db2.gz GRRLZIDGYRAUJP-QFIPXVFZSA-N 1 0 420.513 3.612 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000436283558 981283424 /nfs/dbraw/zinc/28/34/24/981283424.db2.gz LRNQMBYZMYRBPZ-CRFBAAHOSA-N 1 0 408.564 3.830 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000436307797 981290091 /nfs/dbraw/zinc/29/00/91/981290091.db2.gz LMPGOVJCKOBVFE-MUKKUYKPSA-N 1 0 405.340 3.970 20 30 HHEDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1OCCCC#N ZINC000436406006 981351536 /nfs/dbraw/zinc/35/15/36/981351536.db2.gz FWOJWJXUXHPEGM-VQIMIIECSA-N 1 0 400.441 3.951 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000448196437 981608347 /nfs/dbraw/zinc/60/83/47/981608347.db2.gz KNBWJVLEBWMSOV-PGRDOPGGSA-N 1 0 405.498 3.819 20 30 HHEDRO Cn1ccnc1[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(F)c1 ZINC000437078878 981749331 /nfs/dbraw/zinc/74/93/31/981749331.db2.gz BOKZYSYEPCIDPY-XVAXZDLZSA-N 1 0 405.477 3.895 20 30 HHEDRO CC(=O)N1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc2C1 ZINC000437080313 981750330 /nfs/dbraw/zinc/75/03/30/981750330.db2.gz DXUWKUIKMXMYCP-YDPRHXJPSA-N 1 0 404.514 3.726 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448403162 981756905 /nfs/dbraw/zinc/75/69/05/981756905.db2.gz WTYYNHINSOKKBR-NFBKMPQASA-N 1 0 422.573 3.981 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448403164 981757002 /nfs/dbraw/zinc/75/70/02/981757002.db2.gz WTYYNHINSOKKBR-OFNKIYASSA-N 1 0 422.573 3.981 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000448406907 981760080 /nfs/dbraw/zinc/76/00/80/981760080.db2.gz XNWDNHZLAINDOI-HXUWFJFHSA-N 1 0 412.578 3.990 20 30 HHEDRO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437107867 981765146 /nfs/dbraw/zinc/76/51/46/981765146.db2.gz LMWARQAPTHCQHW-UBVWURDFSA-N 1 0 420.557 3.615 20 30 HHEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000437263863 981921134 /nfs/dbraw/zinc/92/11/34/981921134.db2.gz UZUPQQPSMCPANG-ZUZCIYMTSA-N 1 0 404.146 3.865 20 30 HHEDRO CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460201898 981976414 /nfs/dbraw/zinc/97/64/14/981976414.db2.gz NNJRQSZFQQNKFH-UHFFFAOYSA-N 1 0 418.520 3.997 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1cccc(C#N)c1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437349108 981999863 /nfs/dbraw/zinc/99/98/63/981999863.db2.gz VBVXHXUJPRIGCS-JOCHJYFZSA-N 1 0 418.541 3.708 20 30 HHEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)NCCCCC#N)CC1 ZINC000460262963 982039226 /nfs/dbraw/zinc/03/92/26/982039226.db2.gz UCEAIHWEZAWRHL-UHFFFAOYSA-N 1 0 407.356 3.749 20 30 HHEDRO CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460290038 982066159 /nfs/dbraw/zinc/06/61/59/982066159.db2.gz MYZDEYPVSIRGJQ-UHFFFAOYSA-N 1 0 422.577 3.841 20 30 HHEDRO Cc1sc(NC(=O)CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000460365397 982141332 /nfs/dbraw/zinc/14/13/32/982141332.db2.gz NVCDNSVWMHVGMW-HOTGVXAUSA-N 1 0 410.587 3.921 20 30 HHEDRO Cc1sc(NC(=O)CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000460365396 982141605 /nfs/dbraw/zinc/14/16/05/982141605.db2.gz NVCDNSVWMHVGMW-BRLLKYFNSA-N 1 0 410.587 3.921 20 30 HHEDRO CN(c1nnc(-c2cccc(C#N)c2)n1CCc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460433909 982224430 /nfs/dbraw/zinc/22/44/30/982224430.db2.gz CAHSPRFNOGVDBO-QHCPKHFHSA-N 1 0 412.541 3.732 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)CC3(C#N)CCCCC3)cc2)CC1 ZINC000460468958 982262405 /nfs/dbraw/zinc/26/24/05/982262405.db2.gz SPNIFZWKQTZNDU-UHFFFAOYSA-N 1 0 403.592 3.812 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460545808 982332311 /nfs/dbraw/zinc/33/23/11/982332311.db2.gz SJSROKGTIANPIX-SIKLNZKXSA-N 1 0 423.561 3.821 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460556494 982342958 /nfs/dbraw/zinc/34/29/58/982342958.db2.gz SPGLGRNSQSPDNM-IEBWSBKVSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460558121 982344054 /nfs/dbraw/zinc/34/40/54/982344054.db2.gz XCCIWIIJLNIESA-IBGZPJMESA-N 1 0 404.518 3.849 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460574415 982358386 /nfs/dbraw/zinc/35/83/86/982358386.db2.gz NAIPSBGCSLHTMS-SIKLNZKXSA-N 1 0 419.577 3.873 20 30 HHEDRO CC(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460613977 982393041 /nfs/dbraw/zinc/39/30/41/982393041.db2.gz SRTITNSMLPARDT-UHFFFAOYSA-N 1 0 415.545 3.580 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000437872723 982426075 /nfs/dbraw/zinc/42/60/75/982426075.db2.gz FMSJKYUKSGPVHA-NRFANRHFSA-N 1 0 420.557 3.978 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000437959412 982489288 /nfs/dbraw/zinc/48/92/88/982489288.db2.gz XTNLTISCUQLARF-HUVFLSCGSA-N 1 0 419.525 3.869 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460767845 982522040 /nfs/dbraw/zinc/52/20/40/982522040.db2.gz JXLDWSYKNOKDMH-UHFFFAOYSA-N 1 0 422.346 3.955 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460783871 982536385 /nfs/dbraw/zinc/53/63/85/982536385.db2.gz ZBYOIHJFPIWUKB-WFXMLNOXSA-N 1 0 411.550 3.533 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H]1CC ZINC000460802303 982555207 /nfs/dbraw/zinc/55/52/07/982555207.db2.gz KAHWMMVDAJJESU-OAQYLSRUSA-N 1 0 408.594 3.598 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438136776 982606939 /nfs/dbraw/zinc/60/69/39/982606939.db2.gz FUHZDBAYOURIJI-QFIPXVFZSA-N 1 0 409.578 3.577 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460935455 982673564 /nfs/dbraw/zinc/67/35/64/982673564.db2.gz WBITUXJJLIOIQD-IBGZPJMESA-N 1 0 409.578 3.773 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460950116 982684424 /nfs/dbraw/zinc/68/44/24/982684424.db2.gz DRPVCSKNERATBN-RTWAWAEBSA-N 1 0 416.573 3.939 20 30 HHEDRO CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000438331790 982727623 /nfs/dbraw/zinc/72/76/23/982727623.db2.gz BROGXUZDUSHEHI-UHFFFAOYSA-N 1 0 417.475 3.971 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000438442080 982794859 /nfs/dbraw/zinc/79/48/59/982794859.db2.gz IKZLVHRNGNBROP-MJGOQNOKSA-N 1 0 413.484 3.760 20 30 HHEDRO N#Cc1ccc([C@@H](C(N)=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000438513049 982852740 /nfs/dbraw/zinc/85/27/40/982852740.db2.gz YTZIAKDOXQHCLE-QHCPKHFHSA-N 1 0 402.542 3.605 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000438627795 982948142 /nfs/dbraw/zinc/94/81/42/982948142.db2.gz BHTARRMFHDGUQM-KBXCAEBGSA-N 1 0 412.456 3.836 20 30 HHEDRO C[NH+](C)C1(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)Cc2ccccc2C1 ZINC000438637215 982956538 /nfs/dbraw/zinc/95/65/38/982956538.db2.gz NTYBVKVNFBJUMI-UHFFFAOYSA-N 1 0 402.420 3.798 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(OC)c1 ZINC000461428549 983091935 /nfs/dbraw/zinc/09/19/35/983091935.db2.gz IJQLDTREWOBGFO-GOTSBHOMSA-N 1 0 420.553 3.783 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458768 983125977 /nfs/dbraw/zinc/12/59/77/983125977.db2.gz UYCVUKLOYIVVTJ-FCHUYYIVSA-N 1 0 403.526 3.696 20 30 HHEDRO CC(C)(C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1cc(F)cc(C#N)c1 ZINC000461458973 983126004 /nfs/dbraw/zinc/12/60/04/983126004.db2.gz XKRFZEWQDBTDHM-SFTDATJTSA-N 1 0 405.517 3.955 20 30 HHEDRO COc1ccc(NC(=O)[C@@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000439638903 983479647 /nfs/dbraw/zinc/47/96/47/983479647.db2.gz XNLBROGTSAEDBK-QHCPKHFHSA-N 1 0 401.466 3.915 20 30 HHEDRO CCCc1c(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439673661 983495375 /nfs/dbraw/zinc/49/53/75/983495375.db2.gz VPCJZLHFZJCJMM-GOSISDBHSA-N 1 0 408.550 3.938 20 30 HHEDRO CCCc1c(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439681162 983498610 /nfs/dbraw/zinc/49/86/10/983498610.db2.gz AHCTWPUJHMUZAH-FQEVSTJZSA-N 1 0 420.561 3.892 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C#N ZINC000439743063 983522156 /nfs/dbraw/zinc/52/21/56/983522156.db2.gz IPXXOYRCXOJIGH-HNNXBMFYSA-N 1 0 421.570 3.903 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000440192950 983677474 /nfs/dbraw/zinc/67/74/74/983677474.db2.gz XGKORTZFQJNSAB-IBGZPJMESA-N 1 0 403.530 3.876 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000440252082 983697949 /nfs/dbraw/zinc/69/79/49/983697949.db2.gz DUJKNNCGMQHENM-ZRCGQRJVSA-N 1 0 412.578 3.952 20 30 HHEDRO CN(C(=O)N[C@@H](CCC#N)c1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000440252203 983697968 /nfs/dbraw/zinc/69/79/68/983697968.db2.gz FSXNDLAKHLUYHW-QHCPKHFHSA-N 1 0 405.546 3.775 20 30 HHEDRO N#Cc1cnc2c(Br)cccc2c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000440635702 983831545 /nfs/dbraw/zinc/83/15/45/983831545.db2.gz IJNQLRMWPSDADM-CQSZACIVSA-N 1 0 415.335 3.782 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1C ZINC000440648279 983837591 /nfs/dbraw/zinc/83/75/91/983837591.db2.gz WSBUOBHVIWVKMD-DEOSSOPVSA-N 1 0 405.542 3.922 20 30 HHEDRO N#Cc1c(NC(=O)CC[NH2+][C@]2(CO)CCCc3ccccc32)sc2c1CCCC2 ZINC000440819157 983920766 /nfs/dbraw/zinc/92/07/66/983920766.db2.gz BLVBFTDMXXKPAK-QHCPKHFHSA-N 1 0 409.555 3.641 20 30 HHEDRO C=CCC[C@H](NC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865772 983942037 /nfs/dbraw/zinc/94/20/37/983942037.db2.gz QCCJYQOGFHGXKG-APWZRJJASA-N 1 0 412.500 3.648 20 30 HHEDRO C=CCC[C@@H](NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440865775 983942075 /nfs/dbraw/zinc/94/20/75/983942075.db2.gz QCCJYQOGFHGXKG-QFBILLFUSA-N 1 0 412.500 3.648 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441272565 984152160 /nfs/dbraw/zinc/15/21/60/984152160.db2.gz AEXCSSYEHDDYQM-IKGGRYGDSA-N 1 0 401.576 3.964 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441274389 984153479 /nfs/dbraw/zinc/15/34/79/984153479.db2.gz FJJCZQQYVSTHQS-RTBURBONSA-N 1 0 424.520 3.792 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441282513 984157497 /nfs/dbraw/zinc/15/74/97/984157497.db2.gz VQMBEXDSTIXUTN-VXKWHMMOSA-N 1 0 420.557 3.712 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000441411917 984237970 /nfs/dbraw/zinc/23/79/70/984237970.db2.gz OGNVIQPHJHKRPV-UTKZUKDTSA-N 1 0 400.954 3.535 20 30 HHEDRO N#CCCN(C(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1 ZINC000441411911 984238089 /nfs/dbraw/zinc/23/80/89/984238089.db2.gz OGNVIQPHJHKRPV-DYESRHJHSA-N 1 0 400.954 3.535 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000441420266 984241630 /nfs/dbraw/zinc/24/16/30/984241630.db2.gz YYDBTXJSIWXWQF-AVRDEDQJSA-N 1 0 414.981 3.844 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)c1 ZINC000441445579 984255465 /nfs/dbraw/zinc/25/54/65/984255465.db2.gz GLKOQNJFJNDTEA-WIYYLYMNSA-N 1 0 401.551 3.597 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000441856399 984502818 /nfs/dbraw/zinc/50/28/18/984502818.db2.gz SFNGSYGUDBBTQQ-IBGZPJMESA-N 1 0 409.530 3.707 20 30 HHEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000441906126 984530112 /nfs/dbraw/zinc/53/01/12/984530112.db2.gz SHKXDOSUADYIKQ-AWEZNQCLSA-N 1 0 424.467 3.532 20 30 HHEDRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2)CC1 ZINC000462014717 984992543 /nfs/dbraw/zinc/99/25/43/984992543.db2.gz MAVRJCRCUJPXSZ-LJQANCHMSA-N 1 0 417.340 3.735 20 30 HHEDRO CC[N@H+](CCC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1)CC(C)C ZINC000462088239 985059761 /nfs/dbraw/zinc/05/97/61/985059761.db2.gz LYJWYUKLGKLGTE-UHFFFAOYSA-N 1 0 423.565 3.751 20 30 HHEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000462092754 985063301 /nfs/dbraw/zinc/06/33/01/985063301.db2.gz XWBVQQDDEXRFOJ-UHFFFAOYSA-N 1 0 417.517 3.515 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000442633989 985109664 /nfs/dbraw/zinc/10/96/64/985109664.db2.gz LODXQZQIZAWKJN-FQEVSTJZSA-N 1 0 421.541 3.703 20 30 HHEDRO N#Cc1ccc(OC2CN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)C2)cc1 ZINC000462142144 985113307 /nfs/dbraw/zinc/11/33/07/985113307.db2.gz RFXTWXFSBTXCKL-UHFFFAOYSA-N 1 0 404.514 3.517 20 30 HHEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000462161196 985136626 /nfs/dbraw/zinc/13/66/26/985136626.db2.gz CSFATKCGAZGXMZ-UHFFFAOYSA-N 1 0 417.962 3.541 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)ccc1C#N ZINC000442849893 985246389 /nfs/dbraw/zinc/24/63/89/985246389.db2.gz OJZWKMDPXRFUPA-LJQANCHMSA-N 1 0 407.518 3.798 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000443010341 985334283 /nfs/dbraw/zinc/33/42/83/985334283.db2.gz DIQYPDSIFHTTHP-OXJNMPFZSA-N 1 0 401.507 3.543 20 30 HHEDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000462422404 985395107 /nfs/dbraw/zinc/39/51/07/985395107.db2.gz NQXBSMMZFSWVRV-OAQYLSRUSA-N 1 0 408.502 3.626 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1cccs1 ZINC000443239732 985457611 /nfs/dbraw/zinc/45/76/11/985457611.db2.gz ZHFJIOVGYOOYMH-UGSOOPFHSA-N 1 0 409.964 3.635 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H]1C ZINC000443355633 985517983 /nfs/dbraw/zinc/51/79/83/985517983.db2.gz KOIQYSCVKCDEJB-YLJYHZDGSA-N 1 0 420.513 3.620 20 30 HHEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443368457 985529594 /nfs/dbraw/zinc/52/95/94/985529594.db2.gz JCKJDHJSCCKLPM-NVXWUHKLSA-N 1 0 403.935 3.543 20 30 HHEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443483657 985659377 /nfs/dbraw/zinc/65/93/77/985659377.db2.gz AMNXIZWXACTREN-AOMKIAJQSA-N 1 0 402.458 3.539 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443494075 985668014 /nfs/dbraw/zinc/66/80/14/985668014.db2.gz YOVDDZIWLIEEPG-INIZCTEOSA-N 1 0 409.983 3.877 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000462807414 985738629 /nfs/dbraw/zinc/73/86/29/985738629.db2.gz AYKMQOXFIHZJLH-YCRPNKLZSA-N 1 0 406.555 3.803 20 30 HHEDRO C[NH+](C)Cc1ccc(N2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)nc1 ZINC000462815452 985743817 /nfs/dbraw/zinc/74/38/17/985743817.db2.gz DIRWSJRCLJEDJG-UHFFFAOYSA-N 1 0 424.911 3.682 20 30 HHEDRO Cc1cc(C)c2ncc(C#N)c(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)c2c1 ZINC000462824643 985748297 /nfs/dbraw/zinc/74/82/97/985748297.db2.gz GNKGZIDBJPITMK-UHFFFAOYSA-N 1 0 400.526 3.714 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCC(=O)OC(C)(C)C ZINC000468144326 985812259 /nfs/dbraw/zinc/81/22/59/985812259.db2.gz MIEFWZYWUABEOD-UHFFFAOYSA-N 1 0 405.564 3.881 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000443643536 985834276 /nfs/dbraw/zinc/83/42/76/985834276.db2.gz BIFFCLAJXBRPPP-UHFFFAOYSA-N 1 0 402.420 3.728 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000462924877 985858956 /nfs/dbraw/zinc/85/89/56/985858956.db2.gz BFZVGQQNJKHOIV-UHFFFAOYSA-N 1 0 410.484 3.642 20 30 HHEDRO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 ZINC000443662863 985864642 /nfs/dbraw/zinc/86/46/42/985864642.db2.gz VZERVXABRKJOBM-QRVBRYPASA-N 1 0 412.578 3.724 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000443697558 985911330 /nfs/dbraw/zinc/91/13/30/985911330.db2.gz IFXWPJINPRZREU-UHFFFAOYSA-N 1 0 412.921 3.639 20 30 HHEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC000443795907 985997155 /nfs/dbraw/zinc/99/71/55/985997155.db2.gz ADPFROZCWQDDHS-PEJQNEDZSA-N 1 0 419.573 3.577 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443843689 986045698 /nfs/dbraw/zinc/04/56/98/986045698.db2.gz OZLOJXLAICDILK-PGRDOPGGSA-N 1 0 409.530 3.696 20 30 HHEDRO C=CCc1cc(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)cc(OC)c1O ZINC000468475498 986169947 /nfs/dbraw/zinc/16/99/47/986169947.db2.gz NBTOVBJWNMFMKY-GOSISDBHSA-N 1 0 419.319 3.550 20 30 HHEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000463207047 986179381 /nfs/dbraw/zinc/17/93/81/986179381.db2.gz YPXHPLCBMPCLTA-HBMCJLEFSA-N 1 0 422.491 3.579 20 30 HHEDRO Cc1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)ccc1C#N ZINC000443988276 986190040 /nfs/dbraw/zinc/19/00/40/986190040.db2.gz LYPCNXVNGRWZQH-UHFFFAOYSA-N 1 0 400.320 3.756 20 30 HHEDRO Cc1cc(C[NH2+][C@@H]2CCN([C@H](C(=O)OC(C)(C)C)c3ccccc3)C2=O)ccc1C#N ZINC000443999127 986198141 /nfs/dbraw/zinc/19/81/41/986198141.db2.gz BCHVQJXZMHXAJY-YADHBBJMSA-N 1 0 419.525 3.640 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000463275208 986241710 /nfs/dbraw/zinc/24/17/10/986241710.db2.gz URPXEEWVFSIVIF-GCJKJVERSA-N 1 0 408.502 3.813 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1C#N ZINC000444214298 986397709 /nfs/dbraw/zinc/39/77/09/986397709.db2.gz RAULNXJNPFFYOZ-FQEVSTJZSA-N 1 0 411.594 3.838 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463506960 986482499 /nfs/dbraw/zinc/48/24/99/986482499.db2.gz MQMWGGYBOQUMLS-ZWKOTPCHSA-N 1 0 401.432 3.669 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(=O)NC1(C#N)CCC1 ZINC000468829448 986539607 /nfs/dbraw/zinc/53/96/07/986539607.db2.gz DHPCHXVNPZEHPD-IRXDYDNUSA-N 1 0 422.504 3.608 20 30 HHEDRO N#Cc1cccc(-c2cc(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)on2)c1 ZINC000468833838 986543797 /nfs/dbraw/zinc/54/37/97/986543797.db2.gz DLQCVMPVRQJMPS-UHFFFAOYSA-N 1 0 410.543 3.695 20 30 HHEDRO Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444392766 986568999 /nfs/dbraw/zinc/56/89/99/986568999.db2.gz CGSOIKDZHSRPTF-UHFFFAOYSA-N 1 0 413.566 3.566 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000468876814 986583501 /nfs/dbraw/zinc/58/35/01/986583501.db2.gz IBIAINKWBOAYPC-UHFFFAOYSA-N 1 0 409.921 3.986 20 30 HHEDRO C=CCN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1nc2c(s1)CCCC2 ZINC000444461271 986643847 /nfs/dbraw/zinc/64/38/47/986643847.db2.gz QXAMSTUXCYPUIC-UHFFFAOYSA-N 1 0 410.587 3.602 20 30 HHEDRO N#C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000468950091 986654193 /nfs/dbraw/zinc/65/41/93/986654193.db2.gz LVPYDWOXUNDTBJ-HXUWFJFHSA-N 1 0 416.447 3.599 20 30 HHEDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H](C)O1 ZINC000469008171 986713092 /nfs/dbraw/zinc/71/30/92/986713092.db2.gz NMKYNGQEHRYRHO-HSALFYBXSA-N 1 0 408.546 3.659 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(Cl)cccc2I)CC1 ZINC000463748317 986738220 /nfs/dbraw/zinc/73/82/20/986738220.db2.gz KNMJCHZBTVUTGP-UHFFFAOYSA-N 1 0 418.706 3.715 20 30 HHEDRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccccc1 ZINC000469216219 986939026 /nfs/dbraw/zinc/93/90/26/986939026.db2.gz HFFVQIIXKNKUPS-CPJSRVTESA-N 1 0 421.541 3.659 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000469246182 986965769 /nfs/dbraw/zinc/96/57/69/986965769.db2.gz NMYDXVFBDQDOIG-SFHVURJKSA-N 1 0 409.559 3.627 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000469338095 987044698 /nfs/dbraw/zinc/04/46/98/987044698.db2.gz DSSKYMNTSQWKKA-LJQANCHMSA-N 1 0 417.340 3.735 20 30 HHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000444901488 987050823 /nfs/dbraw/zinc/05/08/23/987050823.db2.gz MFIDJYLUGFUSCG-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)CC2)CC1 ZINC000469683077 987340685 /nfs/dbraw/zinc/34/06/85/987340685.db2.gz XHUZPOVWXUOGHK-UHFFFAOYSA-N 1 0 421.589 3.576 20 30 HHEDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000469759781 987413372 /nfs/dbraw/zinc/41/33/72/987413372.db2.gz CYGYQVABHBKZDX-INIZCTEOSA-N 1 0 414.465 3.696 20 30 HHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000463922745 988031730 /nfs/dbraw/zinc/03/17/30/988031730.db2.gz RFPBMIRSHWZYDB-GCJKJVERSA-N 1 0 409.530 3.586 20 30 HHEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000470232933 988168323 /nfs/dbraw/zinc/16/83/23/988168323.db2.gz IXTZRXHAANPVBF-FQEVSTJZSA-N 1 0 403.526 3.941 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C[NH+]1CCCCC1 ZINC000470539414 988546089 /nfs/dbraw/zinc/54/60/89/988546089.db2.gz XTOLYZSMHUEMLH-SFHVURJKSA-N 1 0 411.550 3.513 20 30 HHEDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000470541322 988548493 /nfs/dbraw/zinc/54/84/93/988548493.db2.gz GYOYICZEFXKZDD-UHFFFAOYSA-N 1 0 419.529 3.653 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000464487516 988659256 /nfs/dbraw/zinc/65/92/56/988659256.db2.gz ONOXNSQTKAIBNS-NRFANRHFSA-N 1 0 422.525 3.978 20 30 HHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000470892403 988965100 /nfs/dbraw/zinc/96/51/00/988965100.db2.gz RSEQGLMBYOBHIW-JSRJAPPDSA-N 1 0 410.562 3.622 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](C[N@H+](C)CC4CC4)C3)sc2C1 ZINC000470983505 989048238 /nfs/dbraw/zinc/04/82/38/989048238.db2.gz OBFFNNQPAMUGLZ-FUHWJXTLSA-N 1 0 414.619 3.737 20 30 HHEDRO CN(CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464836153 989079150 /nfs/dbraw/zinc/07/91/50/989079150.db2.gz JXBRFEVMIYRFJP-FQEVSTJZSA-N 1 0 408.571 3.695 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2cccc(F)c2)C2CCCC2)cc1 ZINC000464893151 989161871 /nfs/dbraw/zinc/16/18/71/989161871.db2.gz IUWOIVWDHQBOBM-UHFFFAOYSA-N 1 0 400.519 3.958 20 30 HHEDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464970554 989271900 /nfs/dbraw/zinc/27/19/00/989271900.db2.gz GLBYBFSZPUKTAR-IBGZPJMESA-N 1 0 420.557 3.662 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000464975121 989276233 /nfs/dbraw/zinc/27/62/33/989276233.db2.gz XMIYMCNKZYRCNZ-QHCPKHFHSA-N 1 0 420.557 3.661 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@](C)(CO)C2CCCCC2)c1C#N ZINC000471230737 989374583 /nfs/dbraw/zinc/37/45/83/989374583.db2.gz AGNLYVOZCKNPNQ-HSZRJFAPSA-N 1 0 400.567 3.951 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000471569389 989770627 /nfs/dbraw/zinc/77/06/27/989770627.db2.gz GYZXNTBUUSNMNM-HSZRJFAPSA-N 1 0 407.514 3.923 20 30 HHEDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000471654818 989858897 /nfs/dbraw/zinc/85/88/97/989858897.db2.gz SQMWCVBPOIDCDT-LJQANCHMSA-N 1 0 400.910 3.695 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000465558221 989922860 /nfs/dbraw/zinc/92/28/60/989922860.db2.gz NPJNMVSHTBXGAV-LJQANCHMSA-N 1 0 406.530 3.668 20 30 HHEDRO C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000465683175 990067478 /nfs/dbraw/zinc/06/74/78/990067478.db2.gz DQHADJBEOAVKBJ-VEXUSMLFSA-N 1 0 402.542 3.915 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000471970588 990136229 /nfs/dbraw/zinc/13/62/29/990136229.db2.gz OXHUPVDIUHSQKS-HNNXBMFYSA-N 1 0 401.486 3.585 20 30 HHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000465888296 991012653 /nfs/dbraw/zinc/01/26/53/991012653.db2.gz JMYHFZQKWPNVHM-ZEQRLZLVSA-N 1 0 420.557 3.651 20 30 HHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000465897657 991024874 /nfs/dbraw/zinc/02/48/74/991024874.db2.gz WJPZYUXQQNZEHU-ZEQRLZLVSA-N 1 0 420.557 3.998 20 30 HHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000465897656 991025187 /nfs/dbraw/zinc/02/51/87/991025187.db2.gz WJPZYUXQQNZEHU-RPWUZVMVSA-N 1 0 420.557 3.998 20 30 HHEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)Cc2ccccc2C1 ZINC000466022139 991189934 /nfs/dbraw/zinc/18/99/34/991189934.db2.gz ZVOVTWVSLSYDPJ-GOTSBHOMSA-N 1 0 402.542 3.567 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000466066596 991238938 /nfs/dbraw/zinc/23/89/38/991238938.db2.gz LXPPJSUVAAECKW-UHFFFAOYSA-N 1 0 415.497 3.631 20 30 HHEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Sc1ccccc1 ZINC000466321569 991576255 /nfs/dbraw/zinc/57/62/55/991576255.db2.gz YHVICRBLXJUKDO-IBGZPJMESA-N 1 0 408.571 3.956 20 30 HHEDRO CCO[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C12CCCC2 ZINC000466435279 991723505 /nfs/dbraw/zinc/72/35/05/991723505.db2.gz XHQDNPGILWMOHD-VXKWHMMOSA-N 1 0 410.562 3.513 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000466602825 991919253 /nfs/dbraw/zinc/91/92/53/991919253.db2.gz VMQWUICJMDEFOD-UHFFFAOYSA-N 1 0 421.545 3.937 20 30 HHEDRO C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000466620221 991936311 /nfs/dbraw/zinc/93/63/11/991936311.db2.gz SYXZBIIBTRKYPW-UYAOXDASSA-N 1 0 407.518 3.796 20 30 HHEDRO CC[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466623932 991939546 /nfs/dbraw/zinc/93/95/46/991939546.db2.gz YSMLKDVPFZQRJG-FQEVSTJZSA-N 1 0 407.518 3.892 20 30 HHEDRO N#CCSCCC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000466715301 992027528 /nfs/dbraw/zinc/02/75/28/992027528.db2.gz AJLAPHHSBLNOFU-UHFFFAOYSA-N 1 0 417.472 3.941 20 30 HHEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000467530337 992808674 /nfs/dbraw/zinc/80/86/74/992808674.db2.gz GTALXKAVIPPMNI-UHFFFAOYSA-N 1 0 404.558 3.818 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1cc(Cl)ccc1Br ZINC000467605952 992874259 /nfs/dbraw/zinc/87/42/59/992874259.db2.gz DEFIGTQUHVFRJY-UHFFFAOYSA-N 1 0 400.748 3.729 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000472253194 993279346 /nfs/dbraw/zinc/27/93/46/993279346.db2.gz AYFAAFIPJZLJJI-IAGOWNOFSA-N 1 0 400.548 3.772 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000472317257 993328052 /nfs/dbraw/zinc/32/80/52/993328052.db2.gz LEDFAFRMALNQDE-JOCHJYFZSA-N 1 0 418.541 3.633 20 30 HHEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000472498539 993499081 /nfs/dbraw/zinc/49/90/81/993499081.db2.gz LFGRNIKGYZUXHJ-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000472574344 993542362 /nfs/dbraw/zinc/54/23/62/993542362.db2.gz MBDARPDIRRTFEC-UYAOXDASSA-N 1 0 414.431 3.678 20 30 HHEDRO CCC[N@H+](CC)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000472713589 993637504 /nfs/dbraw/zinc/63/75/04/993637504.db2.gz JUOJYHSWWSOXTP-UHFFFAOYSA-N 1 0 404.565 3.555 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000480787594 993655111 /nfs/dbraw/zinc/65/51/11/993655111.db2.gz DQZMLZHAWNCKJE-SJORKVTESA-N 1 0 417.579 3.585 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccccc1O2 ZINC000480804525 993674664 /nfs/dbraw/zinc/67/46/64/993674664.db2.gz ODLVLQYRGQVWEP-OAQYLSRUSA-N 1 0 419.525 3.820 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481029291 993874480 /nfs/dbraw/zinc/87/44/80/993874480.db2.gz WWGVNTCFFCCMDB-UWJYYQICSA-N 1 0 415.534 3.685 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000481136101 993970500 /nfs/dbraw/zinc/97/05/00/993970500.db2.gz FZBLRVXVZYNEPC-UHFFFAOYSA-N 1 0 419.639 3.913 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)c2nc3ccccc3n2C)c(OC)c1 ZINC000473157862 994029412 /nfs/dbraw/zinc/02/94/12/994029412.db2.gz GPKOKFMPKOJICW-GOSISDBHSA-N 1 0 409.530 3.575 20 30 HHEDRO CC[NH+](CC)CCOc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1OC ZINC000473182826 994047999 /nfs/dbraw/zinc/04/79/99/994047999.db2.gz NHBTZODXSOSUFY-UHFFFAOYSA-N 1 0 407.514 3.958 20 30 HHEDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C ZINC000473292454 994145328 /nfs/dbraw/zinc/14/53/28/994145328.db2.gz CGKWQUVBTVXDFR-UHFFFAOYSA-N 1 0 422.529 3.914 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1C#N ZINC000481408388 994242434 /nfs/dbraw/zinc/24/24/34/994242434.db2.gz MWPTVNXWXDWIJH-LAUBAEHRSA-N 1 0 412.509 3.526 20 30 HHEDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000473541242 994401912 /nfs/dbraw/zinc/40/19/12/994401912.db2.gz DDLXVWMIBLXMNM-QGZVFWFLSA-N 1 0 424.570 3.749 20 30 HHEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000481576797 994414712 /nfs/dbraw/zinc/41/47/12/994414712.db2.gz YATPLKKVTBSQSA-INIZCTEOSA-N 1 0 411.468 3.804 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000473614406 994495747 /nfs/dbraw/zinc/49/57/47/994495747.db2.gz BUFVSMFMYWZQPW-NRFANRHFSA-N 1 0 405.502 3.759 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481891287 994760189 /nfs/dbraw/zinc/76/01/89/994760189.db2.gz JQUGBAWAAGVYQW-AJSBUHFISA-N 1 0 403.526 3.839 20 30 HHEDRO C=CCNc1ncc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)s1 ZINC000473924557 994895146 /nfs/dbraw/zinc/89/51/46/994895146.db2.gz VNTUALWEDQRQGO-UHFFFAOYSA-N 1 0 420.966 3.668 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)CSCc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482018002 994927579 /nfs/dbraw/zinc/92/75/79/994927579.db2.gz KMCWLENFZYSKCF-LADGPHEKSA-N 1 0 421.566 3.894 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(NCc3ccc(C#N)cc3F)cc2Br)CC1 ZINC000474012788 995003368 /nfs/dbraw/zinc/00/33/68/995003368.db2.gz VOVDDGVZFWNBPU-UHFFFAOYSA-N 1 0 417.326 3.819 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CC(C)(C)O ZINC000474178320 995168529 /nfs/dbraw/zinc/16/85/29/995168529.db2.gz PCGJRJOETRPFLX-UHFFFAOYSA-N 1 0 400.498 3.526 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000482469695 995473632 /nfs/dbraw/zinc/47/36/32/995473632.db2.gz UFRFZJPWOBBKOF-CQSZACIVSA-N 1 0 412.347 3.859 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000474575532 995536968 /nfs/dbraw/zinc/53/69/68/995536968.db2.gz MPBVUHLSQDEZMC-ACJLOTCBSA-N 1 0 411.449 3.547 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000474906754 995792738 /nfs/dbraw/zinc/79/27/38/995792738.db2.gz QASSYCKRIDJTAY-UHFFFAOYSA-N 1 0 404.558 3.555 20 30 HHEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000474940912 995814661 /nfs/dbraw/zinc/81/46/61/995814661.db2.gz JBHNIVIKSAKEEQ-LZJOCLMNSA-N 1 0 407.514 3.853 20 30 HHEDRO N#CC[C@H](CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000474955999 995824610 /nfs/dbraw/zinc/82/46/10/995824610.db2.gz RZDZBDALGSWKIN-HSZRJFAPSA-N 1 0 404.558 3.793 20 30 HHEDRO Cc1nc(SCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000475315915 996065306 /nfs/dbraw/zinc/06/53/06/996065306.db2.gz YOVXQTFPVZTLJT-FQEVSTJZSA-N 1 0 408.571 3.704 20 30 HHEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)cc1C#N ZINC000483264160 996068805 /nfs/dbraw/zinc/06/88/05/996068805.db2.gz VNRBULNOXBXHSF-UHFFFAOYSA-N 1 0 401.308 3.510 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+](CC1CC1)C1CCC1)CCCC2 ZINC000483292731 996084181 /nfs/dbraw/zinc/08/41/81/996084181.db2.gz LHRRDGUVLQODLB-IBGZPJMESA-N 1 0 410.562 3.621 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000475399568 996114753 /nfs/dbraw/zinc/11/47/53/996114753.db2.gz BWWXFOODHJKELV-UHFFFAOYSA-N 1 0 420.557 3.653 20 30 HHEDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000475406854 996120631 /nfs/dbraw/zinc/12/06/31/996120631.db2.gz KVDLYEVTPGCBQW-UWJYYQICSA-N 1 0 408.498 3.777 20 30 HHEDRO CNC(=O)C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000483410049 996160231 /nfs/dbraw/zinc/16/02/31/996160231.db2.gz BFRSRNCHHIWXCR-LJQANCHMSA-N 1 0 424.570 3.684 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)C1(c2ccccc2)CC1 ZINC000475975905 996509458 /nfs/dbraw/zinc/50/94/58/996509458.db2.gz KYDANVZHMQNNAA-UHFFFAOYSA-N 1 0 410.587 3.886 20 30 HHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C[C@@H](CC#N)c3ccccc3)cc2)CC1 ZINC000476087158 996586421 /nfs/dbraw/zinc/58/64/21/996586421.db2.gz UEGFUNPRYKOXSS-LJQANCHMSA-N 1 0 419.529 3.928 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Br)ccc2Br)CC1 ZINC000476220047 996685961 /nfs/dbraw/zinc/68/59/61/996685961.db2.gz FWYGOODFKYDANP-UHFFFAOYSA-N 1 0 402.130 3.592 20 30 HHEDRO O=C(C[NH2+][C@@H]1CCCc2c(O)cccc21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000484310256 996694703 /nfs/dbraw/zinc/69/47/03/996694703.db2.gz IEVWVJLGEDTZRX-LJQANCHMSA-N 1 0 402.416 3.546 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3cccc(OC)c3)CC2)c(OC)c1 ZINC000476269398 996720273 /nfs/dbraw/zinc/72/02/73/996720273.db2.gz SNWGWGMXDAUYET-JOCHJYFZSA-N 1 0 409.526 3.961 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000484362488 996730415 /nfs/dbraw/zinc/73/04/15/996730415.db2.gz NKOKKJDRANISLU-MRXNPFEDSA-N 1 0 412.559 3.707 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000476570166 997068012 /nfs/dbraw/zinc/06/80/12/997068012.db2.gz RHAYRWUMMFNCTA-OOMBGRCJSA-N 1 0 420.557 3.720 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000476651518 997184178 /nfs/dbraw/zinc/18/41/78/997184178.db2.gz GAEUWNLIEBLWRA-CBNMVNINSA-N 1 0 422.529 3.978 20 30 HHEDRO C[NH+](C)CCCOC1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000484837570 997203134 /nfs/dbraw/zinc/20/31/34/997203134.db2.gz VDEOERKGPIHUDZ-UHFFFAOYSA-N 1 0 404.461 3.645 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000476767474 997324974 /nfs/dbraw/zinc/32/49/74/997324974.db2.gz RKVOIGIYLIQPSX-QFIPXVFZSA-N 1 0 406.530 3.938 20 30 HHEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000476800609 997349538 /nfs/dbraw/zinc/34/95/38/997349538.db2.gz ZGIUDRJXJIHURF-UHFFFAOYSA-N 1 0 412.578 3.874 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC000476855178 997424864 /nfs/dbraw/zinc/42/48/64/997424864.db2.gz WYEZPJONVNWCCJ-NRFANRHFSA-N 1 0 400.473 3.941 20 30 HHEDRO C[NH+](C)CCOC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000485120093 997503879 /nfs/dbraw/zinc/50/38/79/997503879.db2.gz PJTMXLCRGVTVKM-UHFFFAOYSA-N 1 0 409.555 3.892 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000477044313 997680737 /nfs/dbraw/zinc/68/07/37/997680737.db2.gz BFDHGAIFVINLIS-DEOSSOPVSA-N 1 0 424.545 3.839 20 30 HHEDRO Cc1ccc(Br)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000477046931 997684454 /nfs/dbraw/zinc/68/44/54/997684454.db2.gz HYXNCQJIVYVGSJ-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485314061 997723809 /nfs/dbraw/zinc/72/38/09/997723809.db2.gz CMKFRUQMFCDUSY-MDZRGWNJSA-N 1 0 400.592 3.632 20 30 HHEDRO CCc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1cccc(Cl)c1 ZINC000485348889 997769478 /nfs/dbraw/zinc/76/94/78/997769478.db2.gz IEJWIZVXYPXHGW-UHFFFAOYSA-N 1 0 402.930 3.787 20 30 HHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc2NC1=O ZINC000485350433 997771483 /nfs/dbraw/zinc/77/14/83/997771483.db2.gz SADQESXNNYAHFL-NQERJWCQSA-N 1 0 418.497 3.514 20 30 HHEDRO CCOc1c(Cl)cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485432869 997872069 /nfs/dbraw/zinc/87/20/69/997872069.db2.gz IXFVKWSGLLAMGY-IBGZPJMESA-N 1 0 413.905 3.904 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718143 998187115 /nfs/dbraw/zinc/18/71/15/998187115.db2.gz CWSZFWMKZHGGEP-NNWRFLSQSA-N 1 0 413.468 3.801 20 30 HHEDRO CCc1cccc2c(CCNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC000477638974 998357221 /nfs/dbraw/zinc/35/72/21/998357221.db2.gz MOHUEJLYTQJGAY-UHFFFAOYSA-N 1 0 417.557 3.918 20 30 HHEDRO C=CCc1cc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)cc(OC)c1OC ZINC000477716481 998439412 /nfs/dbraw/zinc/43/94/12/998439412.db2.gz LFHIVKLKSMXYBW-UHFFFAOYSA-N 1 0 424.541 3.889 20 30 HHEDRO C=C(C)[C@@H](NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(F)c(F)c1 ZINC000477723970 998452325 /nfs/dbraw/zinc/45/23/25/998452325.db2.gz GADMKWRRDZDTFK-JVXMTQNBSA-N 1 0 418.532 3.534 20 30 HHEDRO C=C(C)[C@H](NC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000477730738 998463850 /nfs/dbraw/zinc/46/38/50/998463850.db2.gz IJSCGDSNGKCZIU-QFIPXVFZSA-N 1 0 420.548 3.782 20 30 HHEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000477825499 998580536 /nfs/dbraw/zinc/58/05/36/998580536.db2.gz WNQBPKKDTJWQRQ-HXUWFJFHSA-N 1 0 419.447 3.668 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000478023466 998718759 /nfs/dbraw/zinc/71/87/59/998718759.db2.gz ZWHVZZBCXMSMCS-BJKOFHAPSA-N 1 0 418.541 3.552 20 30 HHEDRO Cn1cc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000478196424 998817217 /nfs/dbraw/zinc/81/72/17/998817217.db2.gz MNYBGDCOJNGKGD-UHFFFAOYSA-N 1 0 405.468 3.713 20 30 HHEDRO Cn1cc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c(-c2ccc(C#N)cc2)n1 ZINC000478250028 998845484 /nfs/dbraw/zinc/84/54/84/998845484.db2.gz HYFUVRNXKAABMF-UHFFFAOYSA-N 1 0 418.888 3.994 20 30 HHEDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000486809967 998950088 /nfs/dbraw/zinc/95/00/88/998950088.db2.gz PKVAEHOYEKCNPQ-KRWDZBQOSA-N 1 0 400.548 3.774 20 30 HHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486844973 998969536 /nfs/dbraw/zinc/96/95/36/998969536.db2.gz VTQDAWJWZUMWDZ-HOYKHHGWSA-N 1 0 414.513 3.881 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(OC(F)F)c(Cl)c3)C2=O)cc1 ZINC000486859541 998977871 /nfs/dbraw/zinc/97/78/71/998977871.db2.gz ZJXKFQGPLBQCFS-QGZVFWFLSA-N 1 0 405.832 3.704 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCCC(C)C ZINC000486885460 998991045 /nfs/dbraw/zinc/99/10/45/998991045.db2.gz KOTKBKQIJLENEZ-JOCHJYFZSA-N 1 0 421.541 3.882 20 30 HHEDRO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1Oc1cccnc1 ZINC000486895979 998995856 /nfs/dbraw/zinc/99/58/56/998995856.db2.gz PSCVHWKIWRGOAO-QHCPKHFHSA-N 1 0 412.493 3.945 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487086383 999058850 /nfs/dbraw/zinc/05/88/50/999058850.db2.gz LMCYMDZLHGYFNC-QPPBQGQZSA-N 1 0 405.542 3.642 20 30 HHEDRO Cc1cc(C#N)ccc1C(=O)NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000487496676 999198492 /nfs/dbraw/zinc/19/84/92/999198492.db2.gz IHVFDMMNCIQJNH-UHFFFAOYSA-N 1 0 400.482 3.916 20 30 HHEDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000478905432 999203554 /nfs/dbraw/zinc/20/35/54/999203554.db2.gz SAWXFBFYTOUIHK-UHFFFAOYSA-N 1 0 407.514 3.923 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000478964762 999225823 /nfs/dbraw/zinc/22/58/23/999225823.db2.gz ZLILFRLVCGCTFT-INIZCTEOSA-N 1 0 416.953 3.653 20 30 HHEDRO CCC(CC)(C[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(=O)OC ZINC000487736309 999271045 /nfs/dbraw/zinc/27/10/45/999271045.db2.gz CYJRMHNESCOTRO-UHFFFAOYSA-N 1 0 402.539 3.599 20 30 HHEDRO N#CC1(NC(=O)CCc2nc3ccccc3s2)CC[NH+](Cc2ccccc2)CC1 ZINC000479213710 999328625 /nfs/dbraw/zinc/32/86/25/999328625.db2.gz IWSXPJUDGZXQGT-UHFFFAOYSA-N 1 0 404.539 3.903 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000487970227 999331528 /nfs/dbraw/zinc/33/15/28/999331528.db2.gz RQJPFADOMKTOBT-KDOFPFPSSA-N 1 0 423.355 3.579 20 30 HHEDRO Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479237001 999338912 /nfs/dbraw/zinc/33/89/12/999338912.db2.gz CGLZHYWMTFXGRP-UHFFFAOYSA-N 1 0 421.589 3.763 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCC[C@@H]1C ZINC000487991883 999339871 /nfs/dbraw/zinc/33/98/71/999339871.db2.gz UFDJJQRZGMPJQR-KKSFZXQISA-N 1 0 412.534 3.693 20 30 HHEDRO CCOc1ccc(OCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479240910 999340922 /nfs/dbraw/zinc/34/09/22/999340922.db2.gz HWZICRPJOYAMDE-UHFFFAOYSA-N 1 0 421.541 3.919 20 30 HHEDRO N#CC1(NC(=O)c2cccc(OC(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479249494 999346373 /nfs/dbraw/zinc/34/63/73/999346373.db2.gz RKLSNFBDTYLTQQ-UHFFFAOYSA-N 1 0 403.404 3.873 20 30 HHEDRO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479288680 999366747 /nfs/dbraw/zinc/36/67/47/999366747.db2.gz XRELYNUKAAWHOU-PGRDOPGGSA-N 1 0 416.525 3.569 20 30 HHEDRO N#CC1(NC(=O)c2ccc(F)c(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479324341 999385650 /nfs/dbraw/zinc/38/56/50/999385650.db2.gz ZQCMQYYWHXFBQO-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO N#CC1(NC(=O)Cc2coc(-c3ccccc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479341215 999393784 /nfs/dbraw/zinc/39/37/84/999393784.db2.gz JDJZEPRFRJPRGZ-UHFFFAOYSA-N 1 0 400.482 3.559 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000488305535 999432040 /nfs/dbraw/zinc/43/20/40/999432040.db2.gz FEEKTBHFCZQTOE-IRXDYDNUSA-N 1 0 402.564 3.655 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cscc2C#N)ccc1Cl ZINC000488404571 999476748 /nfs/dbraw/zinc/47/67/48/999476748.db2.gz GEXRNBMDAYFUIK-UHFFFAOYSA-N 1 0 404.923 3.597 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4ccc(OC(F)(F)F)cc43)C2=O)cc1 ZINC000488482397 999502564 /nfs/dbraw/zinc/50/25/64/999502564.db2.gz UZABKPXFWHJINT-UXHICEINSA-N 1 0 415.415 3.835 20 30 HHEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488481412 999502681 /nfs/dbraw/zinc/50/26/81/999502681.db2.gz QNNCCOLHZNRWNG-OXQOHEQNSA-N 1 0 424.932 3.628 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488490846 999505439 /nfs/dbraw/zinc/50/54/39/999505439.db2.gz UXPLWDZCFSAWBC-DENIHFKCSA-N 1 0 421.541 3.753 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000488510815 999513049 /nfs/dbraw/zinc/51/30/49/999513049.db2.gz CNPQQEBQCJQQET-SIKLNZKXSA-N 1 0 408.542 3.829 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488522531 999516834 /nfs/dbraw/zinc/51/68/34/999516834.db2.gz PBSVVKKELJWAOX-GBXCKJPGSA-N 1 0 420.557 3.627 20 30 HHEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488587728 999537071 /nfs/dbraw/zinc/53/70/71/999537071.db2.gz ZPVKJCQKNVPTOI-HSZRJFAPSA-N 1 0 413.525 3.758 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000488807498 999614515 /nfs/dbraw/zinc/61/45/15/999614515.db2.gz OZWGPIBVEDIJTK-BEFAXECRSA-N 1 0 411.468 3.827 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)CC1 ZINC000488807504 999614607 /nfs/dbraw/zinc/61/46/07/999614607.db2.gz OZWGPIBVEDIJTK-KXBFYZLASA-N 1 0 411.468 3.827 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000488919987 999647318 /nfs/dbraw/zinc/64/73/18/999647318.db2.gz XXBPYPFKPBMNRC-MRXNPFEDSA-N 1 0 401.507 3.550 20 30 HHEDRO C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000488931753 999650534 /nfs/dbraw/zinc/65/05/34/999650534.db2.gz HIIMRWBJXDPBRW-QGZVFWFLSA-N 1 0 406.958 3.984 20 30 HHEDRO C=CC[C@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)c1ccccc1 ZINC000488993591 999666842 /nfs/dbraw/zinc/66/68/42/999666842.db2.gz CFLUVLGEVAEMNC-QFIPXVFZSA-N 1 0 407.558 3.636 20 30 HHEDRO C[C@H]1C[NH+](CC2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)C[C@H](C)O1 ZINC000479974411 999670104 /nfs/dbraw/zinc/67/01/04/999670104.db2.gz FGDMJTSMUGKEOM-OALUTQOASA-N 1 0 421.589 3.810 20 30 HHEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000479997672 999680410 /nfs/dbraw/zinc/68/04/10/999680410.db2.gz ZOFAOAHCZAADGC-UHFFFAOYSA-N 1 0 403.505 3.852 20 30 HHEDRO Cn1cc(C[NH2+]CCOc2ccc(Br)cc2C(F)(F)F)cc1C#N ZINC000480262109 999758543 /nfs/dbraw/zinc/75/85/43/999758543.db2.gz RNUKAIJNMSBAFL-UHFFFAOYSA-N 1 0 402.214 3.847 20 30 HHEDRO C=C(C)[C@H]([NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000480702463 999863446 /nfs/dbraw/zinc/86/34/46/999863446.db2.gz WLBNDTNAYYCLRG-BTYIYWSLSA-N 1 0 408.489 3.752 20 30 HHEDRO C[NH+]1CCC(n2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)n2)CC1 ZINC000490000057 999875572 /nfs/dbraw/zinc/87/55/72/999875572.db2.gz RBLUYWKVJOGEJC-UHFFFAOYSA-N 1 0 415.497 3.853 20 30 HHEDRO CCCC[NH+]1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000490172185 999904527 /nfs/dbraw/zinc/90/45/27/999904527.db2.gz LOOCWVVCRWNTKN-UHFFFAOYSA-N 1 0 402.514 3.515 20 30 HHEDRO Cc1ccc(NC(=O)C2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)nc1 ZINC000491145219 1000050032 /nfs/dbraw/zinc/05/00/32/1000050032.db2.gz MNYWFDGFSZFFTI-UHFFFAOYSA-N 1 0 414.513 3.513 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000493030580 1000154530 /nfs/dbraw/zinc/15/45/30/1000154530.db2.gz YYAJPHCZVUJAFA-UHFFFAOYSA-N 1 0 408.542 3.728 20 30 HHEDRO C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@@H+](C2CCC2)C1 ZINC000493924281 1000216589 /nfs/dbraw/zinc/21/65/89/1000216589.db2.gz HKPRAIHWWKTWNS-INIZCTEOSA-N 1 0 409.559 3.944 20 30 HHEDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)cc1 ZINC000504492258 1000231883 /nfs/dbraw/zinc/23/18/83/1000231883.db2.gz DDTYJSKMQYAZNM-ICSRJNTNSA-N 1 0 407.514 3.828 20 30 HHEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccc(F)cc2)c1 ZINC000494026911 1000273843 /nfs/dbraw/zinc/27/38/43/1000273843.db2.gz FIDUTXVFXADCNZ-QHCPKHFHSA-N 1 0 424.497 3.859 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc2c(cccc2Br)s1 ZINC000494073871 1000295386 /nfs/dbraw/zinc/29/53/86/1000295386.db2.gz BUOAGMXXFSVDLI-UHFFFAOYSA-N 1 0 410.341 3.758 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000494195704 1000356118 /nfs/dbraw/zinc/35/61/18/1000356118.db2.gz QVJFPPUEWWNCID-XXBNENTESA-N 1 0 421.541 3.607 20 30 HHEDRO CN1C(=O)C[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000494272414 1000403597 /nfs/dbraw/zinc/40/35/97/1000403597.db2.gz YUHDMLGZCQCZQI-AZUAARDMSA-N 1 0 408.370 3.897 20 30 HHEDRO COCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)s1 ZINC000494285265 1000412337 /nfs/dbraw/zinc/41/23/37/1000412337.db2.gz NXJFIRPJYHQTSA-UHFFFAOYSA-N 1 0 422.348 3.859 20 30 HHEDRO C[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000504870296 1000416279 /nfs/dbraw/zinc/41/62/79/1000416279.db2.gz QYJOCGJOYSDNNW-KRWDZBQOSA-N 1 0 415.459 3.803 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000494298230 1000419078 /nfs/dbraw/zinc/41/90/78/1000419078.db2.gz MCDXGERAOOFEII-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000494454531 1000500997 /nfs/dbraw/zinc/50/09/97/1000500997.db2.gz LCYSWUAOXVZKEB-QTEQDKRBSA-N 1 0 417.933 3.937 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000494468412 1000508200 /nfs/dbraw/zinc/50/82/00/1000508200.db2.gz BOQBGQBLYFGNOJ-PCCBWWKXSA-N 1 0 413.880 3.966 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC(c4ccc(Br)cc4)C3)C2=O)cc1 ZINC000494480879 1000515794 /nfs/dbraw/zinc/51/57/94/1000515794.db2.gz BJSPTPQVVMHWIX-MNLRITNHSA-N 1 0 424.342 3.957 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000494656200 1000591310 /nfs/dbraw/zinc/59/13/10/1000591310.db2.gz UKKZGWXWRZSCLY-WBVHZDCISA-N 1 0 401.576 3.964 20 30 HHEDRO COCC[N@H+](C)CC[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000494679958 1000600559 /nfs/dbraw/zinc/60/05/59/1000600559.db2.gz LKWKOTBZQYIJSD-QFIPXVFZSA-N 1 0 406.530 3.556 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(Br)c1 ZINC000505218157 1000625552 /nfs/dbraw/zinc/62/55/52/1000625552.db2.gz NOWAMPIVFABYIW-UHFFFAOYSA-N 1 0 421.364 3.656 20 30 HHEDRO CCC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(C)C ZINC000494838857 1000688419 /nfs/dbraw/zinc/68/84/19/1000688419.db2.gz UWLWEDKASQSNOK-GOSISDBHSA-N 1 0 400.567 3.724 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000505308809 1000690348 /nfs/dbraw/zinc/69/03/48/1000690348.db2.gz VBUPVMXWGMYZIF-JOCHJYFZSA-N 1 0 420.532 3.695 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Br)c(Cl)c3)C2=O)cc1 ZINC000494847142 1000692943 /nfs/dbraw/zinc/69/29/43/1000692943.db2.gz OHUPBNDMBOMQBB-GOSISDBHSA-N 1 0 418.722 3.865 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000494912474 1000727025 /nfs/dbraw/zinc/72/70/25/1000727025.db2.gz WXQOYUUAZWVLDO-MRXNPFEDSA-N 1 0 410.381 3.936 20 30 HHEDRO CC[N@H+](CCNC(=O)NCc1ccc(F)cc1C(F)(F)F)CCC(F)(F)F ZINC000495016060 1000779327 /nfs/dbraw/zinc/77/93/27/1000779327.db2.gz GVQZXBHVLZYZFS-UHFFFAOYSA-N 1 0 403.342 3.918 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCCC2)c1 ZINC000505448974 1000780983 /nfs/dbraw/zinc/78/09/83/1000780983.db2.gz IKRGQXNZJCLTQM-UHFFFAOYSA-N 1 0 412.331 3.996 20 30 HHEDRO C=CC[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1)c1ccccc1 ZINC000495114698 1000849964 /nfs/dbraw/zinc/84/99/64/1000849964.db2.gz CCMLTFIFRSIQPN-QHCPKHFHSA-N 1 0 413.606 3.820 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505672429 1000967812 /nfs/dbraw/zinc/96/78/12/1000967812.db2.gz JFDHBWOLVDOSFJ-KNQAVFIVSA-N 1 0 405.542 3.771 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000495513360 1001039023 /nfs/dbraw/zinc/03/90/23/1001039023.db2.gz HKMWPGRTHKMIPB-SFHVURJKSA-N 1 0 407.649 3.602 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000505860270 1001065675 /nfs/dbraw/zinc/06/56/75/1001065675.db2.gz IYYSZMWLWFSKSB-HSZRJFAPSA-N 1 0 421.541 3.706 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)CC[NH+](C(C)C)C(C)C)c1C#N ZINC000505901791 1001089366 /nfs/dbraw/zinc/08/93/66/1001089366.db2.gz WLERUBFRWFTHOA-UHFFFAOYSA-N 1 0 413.566 3.607 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cccc(OC)c1 ZINC000505929072 1001108380 /nfs/dbraw/zinc/10/83/80/1001108380.db2.gz ZHGDNBFEPVRIHL-QFIPXVFZSA-N 1 0 409.505 3.937 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1OCCCC#N ZINC000506138355 1001242864 /nfs/dbraw/zinc/24/28/64/1001242864.db2.gz RLCKCPODSPZBPG-IBGZPJMESA-N 1 0 405.502 3.800 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000497372750 1001317110 /nfs/dbraw/zinc/31/71/10/1001317110.db2.gz URZKQFIPXCBODU-CEXWTWQISA-N 1 0 405.608 3.668 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(OC3CCCCC3)CC2)c(OC)c1 ZINC000497376632 1001320010 /nfs/dbraw/zinc/32/00/10/1001320010.db2.gz MDXRTCLWFUDXEW-HXUWFJFHSA-N 1 0 403.563 3.977 20 30 HHEDRO Cc1nn2c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c(C(C)C)nc2s1 ZINC000506271250 1001320419 /nfs/dbraw/zinc/32/04/19/1001320419.db2.gz WUCGPKFRSHZFOZ-UHFFFAOYSA-N 1 0 408.575 3.802 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(O)ccc3Br)CC2)cc1 ZINC000506271706 1001320925 /nfs/dbraw/zinc/32/09/25/1001320925.db2.gz YABVQPQRMAYQGV-UHFFFAOYSA-N 1 0 400.320 3.734 20 30 HHEDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000497399777 1001338068 /nfs/dbraw/zinc/33/80/68/1001338068.db2.gz PCSAJSWILZUKGT-JWQCQUIFSA-N 1 0 411.505 3.965 20 30 HHEDRO CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc(C#N)c(C)n2)cc1 ZINC000497511005 1001411473 /nfs/dbraw/zinc/41/14/73/1001411473.db2.gz DFVWTTZVCMZVOA-UHFFFAOYSA-N 1 0 403.486 3.590 20 30 HHEDRO Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccc1OCC[NH+]1CCCC1 ZINC000506472604 1001427616 /nfs/dbraw/zinc/42/76/16/1001427616.db2.gz FYMXGZRUEXAZRD-HSZRJFAPSA-N 1 0 415.534 3.670 20 30 HHEDRO Cc1cc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000506505342 1001443242 /nfs/dbraw/zinc/44/32/42/1001443242.db2.gz ZWPWBRQPFUQPCG-UHFFFAOYSA-N 1 0 415.541 3.689 20 30 HHEDRO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc(C)c1OCc1ccccn1 ZINC000506689100 1001494932 /nfs/dbraw/zinc/49/49/32/1001494932.db2.gz JEFWIRIIPJWHGF-UHFFFAOYSA-N 1 0 413.525 3.866 20 30 HHEDRO C=CCOc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC000498268078 1001743416 /nfs/dbraw/zinc/74/34/16/1001743416.db2.gz LWDAQMWJSOZYNE-OALUTQOASA-N 1 0 424.541 3.799 20 30 HHEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)c1ccc(F)cc1 ZINC000507000586 1001757680 /nfs/dbraw/zinc/75/76/80/1001757680.db2.gz DYQRHYDHEPMJEZ-IBGZPJMESA-N 1 0 400.404 3.984 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C ZINC000498370452 1001802244 /nfs/dbraw/zinc/80/22/44/1001802244.db2.gz BEKCDSBSKVLVNO-DEOSSOPVSA-N 1 0 417.553 3.970 20 30 HHEDRO C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498381402 1001811775 /nfs/dbraw/zinc/81/17/75/1001811775.db2.gz BKCDOBCZZONZEM-HOCLYGCPSA-N 1 0 402.420 3.612 20 30 HHEDRO CCC1(C)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 ZINC000507208480 1001895998 /nfs/dbraw/zinc/89/59/98/1001895998.db2.gz QNKDPJLNQFGDOK-GOSISDBHSA-N 1 0 412.578 3.868 20 30 HHEDRO Cc1nc(SCC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C#N)c(C)c1C ZINC000498509325 1001931911 /nfs/dbraw/zinc/93/19/11/1001931911.db2.gz IUOMBULELSEVRP-HXUWFJFHSA-N 1 0 414.619 3.941 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2=O)cc1 ZINC000507475860 1002093295 /nfs/dbraw/zinc/09/32/95/1002093295.db2.gz IDCXIOVABRDNQA-WUEDSLEZSA-N 1 0 414.553 3.554 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000507603514 1002210127 /nfs/dbraw/zinc/21/01/27/1002210127.db2.gz JAUJXNQRDFBDCK-HYDWOIJQSA-N 1 0 403.570 3.863 20 30 HHEDRO CN1CCN(C(=O)c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cc2)CC1 ZINC000507661895 1002258761 /nfs/dbraw/zinc/25/87/61/1002258761.db2.gz XOWUHSATKILGNH-UHFFFAOYSA-N 1 0 416.569 3.568 20 30 HHEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000507757884 1002328851 /nfs/dbraw/zinc/32/88/51/1002328851.db2.gz VMHRQDIXCZNVNT-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c1 ZINC000507874693 1002408247 /nfs/dbraw/zinc/40/82/47/1002408247.db2.gz QWVRPBGTXGUBLG-HXUWFJFHSA-N 1 0 405.477 3.871 20 30 HHEDRO Cn1nccc1-c1ccccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000507919545 1002453310 /nfs/dbraw/zinc/45/33/10/1002453310.db2.gz IDBHNRDTZYOGOG-UHFFFAOYSA-N 1 0 408.509 3.829 20 30 HHEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1OCCCC#N ZINC000507996894 1002525535 /nfs/dbraw/zinc/52/55/35/1002525535.db2.gz FXGVYORYHNNLGV-UHFFFAOYSA-N 1 0 422.529 3.932 20 30 HHEDRO N#CCCCCNC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000508187450 1002722435 /nfs/dbraw/zinc/72/24/35/1002722435.db2.gz NTOQVTVEUHVBNX-UHFFFAOYSA-N 1 0 405.546 3.502 20 30 HHEDRO COc1ccccc1N(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000508200651 1002734684 /nfs/dbraw/zinc/73/46/84/1002734684.db2.gz ZEWFYVXNOQEZSJ-UHFFFAOYSA-N 1 0 419.934 3.510 20 30 HHEDRO Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508458426 1002943818 /nfs/dbraw/zinc/94/38/18/1002943818.db2.gz VKJSJVQVGRIXQA-PKTZIBPZSA-N 1 0 412.541 3.845 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508492409 1002975220 /nfs/dbraw/zinc/97/52/20/1002975220.db2.gz JMJAQFHRLOVIRP-GOSISDBHSA-N 1 0 406.534 3.954 20 30 HHEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508497589 1002980520 /nfs/dbraw/zinc/98/05/20/1002980520.db2.gz MFDXASGLFRUWMH-ROUUACIJSA-N 1 0 415.607 3.827 20 30 HHEDRO Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508542800 1003018213 /nfs/dbraw/zinc/01/82/13/1003018213.db2.gz OVHFRDSKBBBKHR-UHFFFAOYSA-N 1 0 408.509 3.829 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1noc(C)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC000499677885 1003032890 /nfs/dbraw/zinc/03/28/90/1003032890.db2.gz BYEOHAGEDKSFPT-SFHVURJKSA-N 1 0 408.424 3.615 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccnc1OC1CCCC1 ZINC000499763355 1003102485 /nfs/dbraw/zinc/10/24/85/1003102485.db2.gz KUJNMHGWRKNPKJ-UHFFFAOYSA-N 1 0 421.545 3.548 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCc2cnccn2)cc1OCC ZINC000508681306 1003119865 /nfs/dbraw/zinc/11/98/65/1003119865.db2.gz VELKMNOPMRZHMW-UHFFFAOYSA-N 1 0 406.324 3.877 20 30 HHEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508716945 1003156538 /nfs/dbraw/zinc/15/65/38/1003156538.db2.gz RPDXYEAGDROLHT-ICSRJNTNSA-N 1 0 423.561 3.505 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508793001 1003221365 /nfs/dbraw/zinc/22/13/65/1003221365.db2.gz GZOOIBIKMAHMLH-UHFFFAOYSA-N 1 0 401.942 3.761 20 30 HHEDRO C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508819155 1003243178 /nfs/dbraw/zinc/24/31/78/1003243178.db2.gz XMVFKFVVJTUIPA-NZQKXSOJSA-N 1 0 421.589 3.711 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508831308 1003252564 /nfs/dbraw/zinc/25/25/64/1003252564.db2.gz BGJCJMKCMDXPSB-INIZCTEOSA-N 1 0 403.958 3.961 20 30 HHEDRO C=CC[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508855406 1003275696 /nfs/dbraw/zinc/27/56/96/1003275696.db2.gz JGZTZNOCNUVPRC-NTKDMRAZSA-N 1 0 419.529 3.969 20 30 HHEDRO C=CCn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000508863018 1003283425 /nfs/dbraw/zinc/28/34/25/1003283425.db2.gz ILVDFLFXQZHMEC-KRWDZBQOSA-N 1 0 403.477 3.657 20 30 HHEDRO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500008722 1003332744 /nfs/dbraw/zinc/33/27/44/1003332744.db2.gz VDJFVOVVYBZXHS-RXVVDRJESA-N 1 0 407.514 3.630 20 30 HHEDRO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000508902552 1003339096 /nfs/dbraw/zinc/33/90/96/1003339096.db2.gz KLROAWUJSCQCEN-UHFFFAOYSA-N 1 0 413.541 3.517 20 30 HHEDRO C=CCn1c(N2CC[C@@H](C[N@@H+](C)CCC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000508909468 1003350203 /nfs/dbraw/zinc/35/02/03/1003350203.db2.gz ZMRNQQLBJCDGSA-KRWDZBQOSA-N 1 0 405.493 3.761 20 30 HHEDRO Cc1onc(CC(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)c1C#N ZINC000500039711 1003367583 /nfs/dbraw/zinc/36/75/83/1003367583.db2.gz XYVIHANMFKKPJV-HXUWFJFHSA-N 1 0 410.518 3.815 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508937943 1003386614 /nfs/dbraw/zinc/38/66/14/1003386614.db2.gz FBKATNWULHMOCZ-SFHVURJKSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508960035 1003421682 /nfs/dbraw/zinc/42/16/82/1003421682.db2.gz IKXLEPOKCIJCJQ-ICSRJNTNSA-N 1 0 423.561 3.601 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508997571 1003469360 /nfs/dbraw/zinc/46/93/60/1003469360.db2.gz ROJVIQPRCDNXEW-UHFFFAOYSA-N 1 0 401.942 3.858 20 30 HHEDRO Cc1c(C#N)cccc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000509060638 1003523689 /nfs/dbraw/zinc/52/36/89/1003523689.db2.gz NAIXAFUXGJSWBN-UHFFFAOYSA-N 1 0 413.319 3.633 20 30 HHEDRO C[N@H+](CCOc1cccc(CNc2nc3c(cc2C#N)CCCC3)c1)C1CCOCC1 ZINC000500256103 1003585733 /nfs/dbraw/zinc/58/57/33/1003585733.db2.gz YYBDQWKOZLZGOF-UHFFFAOYSA-N 1 0 420.557 3.934 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000500559553 1003783181 /nfs/dbraw/zinc/78/31/81/1003783181.db2.gz HMLXADSWUSLVFY-IBGZPJMESA-N 1 0 404.436 3.676 20 30 HHEDRO N#Cc1ccc(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511848050 1003826903 /nfs/dbraw/zinc/82/69/03/1003826903.db2.gz SREQJYJYZJSLNU-FQEVSTJZSA-N 1 0 401.432 3.900 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000509464611 1003882774 /nfs/dbraw/zinc/88/27/74/1003882774.db2.gz QCUCZDSLNKUTSR-DEOSSOPVSA-N 1 0 404.558 3.941 20 30 HHEDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)C1 ZINC000509537596 1003930948 /nfs/dbraw/zinc/93/09/48/1003930948.db2.gz CWXWPWYGMXWOTR-HXUWFJFHSA-N 1 0 419.573 3.934 20 30 HHEDRO CCC[N@H+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000509620290 1003986509 /nfs/dbraw/zinc/98/65/09/1003986509.db2.gz TZWUAJIFUPXSHQ-FQEVSTJZSA-N 1 0 423.941 3.853 20 30 HHEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000509688449 1004030977 /nfs/dbraw/zinc/03/09/77/1004030977.db2.gz ZJBCDXCICHQOAK-UHFFFAOYSA-N 1 0 417.513 3.903 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000509711077 1004044025 /nfs/dbraw/zinc/04/40/25/1004044025.db2.gz AGAHBZMYFQYIJF-UHFFFAOYSA-N 1 0 403.526 3.600 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNCc1ncc(I)s1)C(C)C ZINC000512137798 1004050072 /nfs/dbraw/zinc/05/00/72/1004050072.db2.gz VZOHUPLIRWZGHO-CYBMUJFWSA-N 1 0 405.349 3.536 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512147559 1004056759 /nfs/dbraw/zinc/05/67/59/1004056759.db2.gz LELQMBUHGTWOIV-XMSQKQJNSA-N 1 0 419.573 3.522 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000500968680 1004085374 /nfs/dbraw/zinc/08/53/74/1004085374.db2.gz SHURYJZETZOSQV-DYESRHJHSA-N 1 0 415.534 3.512 20 30 HHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000512185158 1004087041 /nfs/dbraw/zinc/08/70/41/1004087041.db2.gz ZWFDKZXIBQCHPU-AWEZNQCLSA-N 1 0 400.302 3.897 20 30 HHEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000512194765 1004095506 /nfs/dbraw/zinc/09/55/06/1004095506.db2.gz JQGBMTVQLJOMRY-IKGGRYGDSA-N 1 0 400.592 3.632 20 30 HHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000512194769 1004095894 /nfs/dbraw/zinc/09/58/94/1004095894.db2.gz JQGBMTVQLJOMRY-ZACQAIPSSA-N 1 0 400.592 3.632 20 30 HHEDRO CC(C)[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+]1CCC(C)CC1 ZINC000501135180 1004226962 /nfs/dbraw/zinc/22/69/62/1004226962.db2.gz PEDHEGPXTHWBOS-QHCPKHFHSA-N 1 0 411.594 3.536 20 30 HHEDRO 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TWGBTRUDAMVCEM-HTAPYJJXSA-N 1 0 419.591 3.899 20 30 HHEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000502535134 1005107110 /nfs/dbraw/zinc/10/71/10/1005107110.db2.gz WBRLFLLEDBRFKJ-HXUWFJFHSA-N 1 0 413.315 3.850 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC[NH+]3CCCCCC3)c2)c1 ZINC000511508588 1005205375 /nfs/dbraw/zinc/20/53/75/1005205375.db2.gz VSYARKIBEJQKGW-UHFFFAOYSA-N 1 0 405.502 3.808 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1 ZINC000511543701 1005217763 /nfs/dbraw/zinc/21/77/63/1005217763.db2.gz VFMSJYUOAXARCJ-PXNSSMCTSA-N 1 0 406.404 3.937 20 30 HHEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000514110378 1005269969 /nfs/dbraw/zinc/26/99/69/1005269969.db2.gz DFJLIGCFJAXGED-UHFFFAOYSA-N 1 0 424.520 3.522 20 30 HHEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 ZINC000511756969 1005309481 /nfs/dbraw/zinc/30/94/81/1005309481.db2.gz CZOGMTUAHRMITP-XMMPIXPASA-N 1 0 404.558 3.769 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc(OC)c1OC ZINC000514242395 1005328988 /nfs/dbraw/zinc/32/89/88/1005328988.db2.gz RPEDFPOKVGOFGS-FQEVSTJZSA-N 1 0 403.567 3.742 20 30 HHEDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000503387114 1005405100 /nfs/dbraw/zinc/40/51/00/1005405100.db2.gz HEOOYBSRVHMFGG-AVRDEDQJSA-N 1 0 413.525 3.835 20 30 HHEDRO N#Cc1cccc(C2(NC(=O)NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC2)c1 ZINC000503397611 1005407888 /nfs/dbraw/zinc/40/78/88/1005407888.db2.gz UBJQEMBMROFGEN-UHFFFAOYSA-N 1 0 406.452 3.652 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503400650 1005408845 /nfs/dbraw/zinc/40/88/45/1005408845.db2.gz YOOCKKIUMZUZAR-GBXCKJPGSA-N 1 0 413.562 3.619 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503762362 1005490194 /nfs/dbraw/zinc/49/01/94/1005490194.db2.gz DBENHZSHISNHFZ-HSZRJFAPSA-N 1 0 407.558 3.957 20 30 HHEDRO CCCCCn1cc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000503803365 1005495384 /nfs/dbraw/zinc/49/53/84/1005495384.db2.gz KGJKNDOAAJCVBU-UHFFFAOYSA-N 1 0 422.577 3.671 20 30 HHEDRO CCOc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc(Cl)c1OC ZINC000503929280 1005514115 /nfs/dbraw/zinc/51/41/15/1005514115.db2.gz MOBOBEDLTZSJFJ-IBGZPJMESA-N 1 0 413.905 3.904 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC ZINC000503962844 1005520561 /nfs/dbraw/zinc/52/05/61/1005520561.db2.gz RAFXCTCCWTUABT-NRFANRHFSA-N 1 0 405.498 3.807 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000504021486 1005534373 /nfs/dbraw/zinc/53/43/73/1005534373.db2.gz MUBFFYOZFXQFNT-UHFFFAOYSA-N 1 0 415.484 3.612 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000531081463 1005983867 /nfs/dbraw/zinc/98/38/67/1005983867.db2.gz OFBDEKGSYACEAF-GHTZIAJQSA-N 1 0 406.530 3.687 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2C)c1C#N 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CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H]1C ZINC000543889329 1009466979 /nfs/dbraw/zinc/46/69/79/1009466979.db2.gz UJNLOHCLHYOVMN-PBHICJAKSA-N 1 0 400.914 3.734 20 30 HHEDRO C[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000543892301 1009472061 /nfs/dbraw/zinc/47/20/61/1009472061.db2.gz IOVLQNWEDGQGKV-CABCVRRESA-N 1 0 400.914 3.639 20 30 HHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000520355047 1009491450 /nfs/dbraw/zinc/49/14/50/1009491450.db2.gz BPNWYGQVJBUZAJ-HSZRJFAPSA-N 1 0 407.514 3.728 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000520601007 1009677551 /nfs/dbraw/zinc/67/75/51/1009677551.db2.gz ZAZUCHWTERFEEC-MSOLQXFVSA-N 1 0 418.969 3.603 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520697515 1009764422 /nfs/dbraw/zinc/76/44/22/1009764422.db2.gz JFWCTJQWZVIJLH-KDURUIRLSA-N 1 0 412.578 3.967 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S[C@H](C)CC)cc2C)CC1 ZINC000520700334 1009768474 /nfs/dbraw/zinc/76/84/74/1009768474.db2.gz OFIYGQZYIVYGKP-QGZVFWFLSA-N 1 0 403.592 3.981 20 30 HHEDRO CC(C)(C)c1csc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1C#N ZINC000550268736 1009819105 /nfs/dbraw/zinc/81/91/05/1009819105.db2.gz KTMUMXTWOGBYJW-UHFFFAOYSA-N 1 0 424.570 3.590 20 30 HHEDRO Cn1ccnc1COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000550293925 1009839582 /nfs/dbraw/zinc/83/95/82/1009839582.db2.gz UDOJWGNJURLXKD-UHFFFAOYSA-N 1 0 401.514 3.583 20 30 HHEDRO CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546913559 1009872268 /nfs/dbraw/zinc/87/22/68/1009872268.db2.gz YSIUXSKMFKPMCO-QFIPXVFZSA-N 1 0 418.541 3.790 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000544349656 1009975704 /nfs/dbraw/zinc/97/57/04/1009975704.db2.gz JGLFKNFZXVTPQA-UHFFFAOYSA-N 1 0 400.511 3.676 20 30 HHEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000520961875 1010008644 /nfs/dbraw/zinc/00/86/44/1010008644.db2.gz GHBMIWTXZQILAZ-UHFFFAOYSA-N 1 0 415.559 3.688 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000544452452 1010075652 /nfs/dbraw/zinc/07/56/52/1010075652.db2.gz RPMRTGATDAYOAR-HUUCEWRRSA-N 1 0 423.007 3.913 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000521083405 1010098972 /nfs/dbraw/zinc/09/89/72/1010098972.db2.gz VQJZHBQZYMPJKS-GOSISDBHSA-N 1 0 408.502 3.739 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000521123263 1010144969 /nfs/dbraw/zinc/14/49/69/1010144969.db2.gz RVGCKPMOXZYRTK-UHFFFAOYSA-N 1 0 402.542 3.963 20 30 HHEDRO C[C@H](NC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000550766605 1010164570 /nfs/dbraw/zinc/16/45/70/1010164570.db2.gz WXQXEVRMOXTONP-KSSFIOAISA-N 1 0 412.559 3.663 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000550830581 1010206916 /nfs/dbraw/zinc/20/69/16/1010206916.db2.gz DWBXEUSXZRKOCO-AWEZNQCLSA-N 1 0 402.420 3.927 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000521468734 1010390614 /nfs/dbraw/zinc/39/06/14/1010390614.db2.gz ICGMCYDLGVVDLX-RXCRORICSA-N 1 0 416.532 3.558 20 30 HHEDRO CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000547962709 1010484998 /nfs/dbraw/zinc/48/49/98/1010484998.db2.gz DUBTVIBVYAPANZ-LJQANCHMSA-N 1 0 410.905 3.630 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)cc2OCc2ccccc2)CC1 ZINC000521590905 1010487752 /nfs/dbraw/zinc/48/77/52/1010487752.db2.gz WIRJBSLRRIXARU-UHFFFAOYSA-N 1 0 421.541 3.669 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)Nc3cc(C#N)ccc3OC(C)C)CCCC2)CC1 ZINC000521699140 1010559748 /nfs/dbraw/zinc/55/97/48/1010559748.db2.gz DLHYEJSEKDNQQZ-UHFFFAOYSA-N 1 0 414.550 3.891 20 30 HHEDRO CCOC(=O)c1ccc(C#N)c(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000551413092 1010571218 /nfs/dbraw/zinc/57/12/18/1010571218.db2.gz DMTBKSRNIVZWLW-LJQANCHMSA-N 1 0 411.527 3.513 20 30 HHEDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000551420297 1010576688 /nfs/dbraw/zinc/57/66/88/1010576688.db2.gz WMNKJIPIXUYOPX-INIZCTEOSA-N 1 0 416.591 3.598 20 30 HHEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC(C)C)[C@H](C)c3ccccc3C)CC2)o1 ZINC000551422041 1010577445 /nfs/dbraw/zinc/57/74/45/1010577445.db2.gz OMVTYPVCEGJGBE-LJQANCHMSA-N 1 0 423.561 3.531 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000521810560 1010634548 /nfs/dbraw/zinc/63/45/48/1010634548.db2.gz UMTILBCRKXNMKW-SFHVURJKSA-N 1 0 403.596 3.620 20 30 HHEDRO CC(C)C[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccc(C#N)cc1 ZINC000521821332 1010641002 /nfs/dbraw/zinc/64/10/02/1010641002.db2.gz FAUBMTRYHQROIU-HSZRJFAPSA-N 1 0 404.558 3.659 20 30 HHEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc1 ZINC000551542362 1010648969 /nfs/dbraw/zinc/64/89/69/1010648969.db2.gz DYUHHIODXXPLSQ-QFIPXVFZSA-N 1 0 419.481 3.772 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1)c1ccc(C#N)cc1 ZINC000551565598 1010664857 /nfs/dbraw/zinc/66/48/57/1010664857.db2.gz VGUWXEWEBYQVSZ-KRWDZBQOSA-N 1 0 419.266 3.842 20 30 HHEDRO COc1cc(C#N)ccc1NC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000545295310 1010719139 /nfs/dbraw/zinc/71/91/39/1010719139.db2.gz BZHBGHZUOWAYRF-UHFFFAOYSA-N 1 0 421.545 3.599 20 30 HHEDRO N#CC1(c2ccccn2)CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000548859465 1010746594 /nfs/dbraw/zinc/74/65/94/1010746594.db2.gz IBVJXJULUAIYOB-UHFFFAOYSA-N 1 0 400.276 3.630 20 30 HHEDRO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000522634313 1011126090 /nfs/dbraw/zinc/12/60/90/1011126090.db2.gz URTWWLRCFYHFJH-UHFFFAOYSA-N 1 0 413.905 3.846 20 30 HHEDRO CC[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000540596227 1011251707 /nfs/dbraw/zinc/25/17/07/1011251707.db2.gz COQNYYGEXIXQHK-SANMLTNESA-N 1 0 402.586 3.949 20 30 HHEDRO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)c2)CCO1 ZINC000540597986 1011252710 /nfs/dbraw/zinc/25/27/10/1011252710.db2.gz ZZKMFWXGGHVMFV-OAQYLSRUSA-N 1 0 418.585 3.533 20 30 HHEDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000536210012 1011356357 /nfs/dbraw/zinc/35/63/57/1011356357.db2.gz QPRHJBPGPLUQQG-UHFFFAOYSA-N 1 0 423.582 3.769 20 30 HHEDRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1CCC#N ZINC000540816050 1011477795 /nfs/dbraw/zinc/47/77/95/1011477795.db2.gz YBACBXARCBHPDO-DNVCBOLYSA-N 1 0 418.904 3.712 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000536327404 1011526039 /nfs/dbraw/zinc/52/60/39/1011526039.db2.gz CWOFEVVRNMCBAO-UHFFFAOYSA-N 1 0 424.932 3.542 20 30 HHEDRO C[C@@H](CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@H+](C)Cc1ccccc1 ZINC000540980486 1011614270 /nfs/dbraw/zinc/61/42/70/1011614270.db2.gz JLWGHUWIGSGGMS-KRWDZBQOSA-N 1 0 420.492 3.915 20 30 HHEDRO C[C@H](CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[N@H+](C)Cc1ccccc1 ZINC000540980487 1011614422 /nfs/dbraw/zinc/61/44/22/1011614422.db2.gz JLWGHUWIGSGGMS-QGZVFWFLSA-N 1 0 420.492 3.915 20 30 HHEDRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541084365 1011725191 /nfs/dbraw/zinc/72/51/91/1011725191.db2.gz GWVMQEMYYJPJLA-QZTJIDSGSA-N 1 0 419.525 3.676 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000541103494 1011750173 /nfs/dbraw/zinc/75/01/73/1011750173.db2.gz PDOFDPZPLBNRSC-UHFFFAOYSA-N 1 0 412.925 3.880 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)c(F)c1 ZINC000541133299 1011791784 /nfs/dbraw/zinc/79/17/84/1011791784.db2.gz YSHLQJWUUSABOR-GOSISDBHSA-N 1 0 421.451 3.873 20 30 HHEDRO C[C@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000536665950 1011818043 /nfs/dbraw/zinc/81/80/43/1011818043.db2.gz CPNUSEDTJBONLK-HFZDXXHNSA-N 1 0 418.585 3.595 20 30 HHEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000536670837 1011825999 /nfs/dbraw/zinc/82/59/99/1011825999.db2.gz MBQGXOLZCWJBEY-OAHLLOKOSA-N 1 0 420.351 3.821 20 30 HHEDRO C=CC[N@@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675224 1011834065 /nfs/dbraw/zinc/83/40/65/1011834065.db2.gz GEQJYHZSWKGLLD-DLBZAZTESA-N 1 0 405.502 3.744 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)OC(C)(C)C)c1 ZINC000536686589 1011851083 /nfs/dbraw/zinc/85/10/83/1011851083.db2.gz GLNGNWIPJGZMTB-UHFFFAOYSA-N 1 0 407.514 3.718 20 30 HHEDRO C[NH+](C)CCn1ccc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc21 ZINC000523459187 1011961522 /nfs/dbraw/zinc/96/15/22/1011961522.db2.gz UTXJEBFLQRANSW-UHFFFAOYSA-N 1 0 402.907 3.529 20 30 HHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(I)c1 ZINC000551806608 1011964502 /nfs/dbraw/zinc/96/45/02/1011964502.db2.gz TUMVXVJHQZWPAW-UHFFFAOYSA-N 1 0 406.267 3.811 20 30 HHEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1 ZINC000536872609 1012113917 /nfs/dbraw/zinc/11/39/17/1012113917.db2.gz WDUBWVVCUWPZAW-RTBURBONSA-N 1 0 403.482 3.524 20 30 HHEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)Cc1c(F)cccc1C#N ZINC000552116012 1012134245 /nfs/dbraw/zinc/13/42/45/1012134245.db2.gz ZKMMRSDSQNBAKW-FQEVSTJZSA-N 1 0 417.488 3.831 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552136576 1012155874 /nfs/dbraw/zinc/15/58/74/1012155874.db2.gz CTAWUWCDXCBKQX-QVKFZJNVSA-N 1 0 403.860 3.842 20 30 HHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000523606309 1012174398 /nfs/dbraw/zinc/17/43/98/1012174398.db2.gz QEMYMETYKKGJCT-FCHUYYIVSA-N 1 0 424.541 3.802 20 30 HHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000523606312 1012175246 /nfs/dbraw/zinc/17/52/46/1012175246.db2.gz QEMYMETYKKGJCT-YADHBBJMSA-N 1 0 424.541 3.802 20 30 HHEDRO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000552191691 1012203958 /nfs/dbraw/zinc/20/39/58/1012203958.db2.gz OOPQMTLAOFFYCI-MBSDFSHPSA-N 1 0 402.546 3.642 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCC(C[NH+](CC)CC)CC2)cc(OC)c1OC ZINC000523654365 1012246588 /nfs/dbraw/zinc/24/65/88/1012246588.db2.gz UXDZRNKMDMDBGD-UHFFFAOYSA-N 1 0 403.567 3.696 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@H](C)O1 ZINC000536983734 1012283554 /nfs/dbraw/zinc/28/35/54/1012283554.db2.gz YVCWRYWUTSVHAK-GASCZTMLSA-N 1 0 400.473 3.710 20 30 HHEDRO COc1ccc([C@@H](CCC#N)[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000552333917 1012343774 /nfs/dbraw/zinc/34/37/74/1012343774.db2.gz SMGBXCOXPJWSAE-LJQANCHMSA-N 1 0 400.910 3.916 20 30 HHEDRO CN(C(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000552366710 1012376443 /nfs/dbraw/zinc/37/64/43/1012376443.db2.gz VSVASVIASPMCIZ-UHFFFAOYSA-N 1 0 407.489 3.867 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541590580 1012382013 /nfs/dbraw/zinc/38/20/13/1012382013.db2.gz XJJSQZXTAQKEAT-OFNKIYASSA-N 1 0 407.493 3.561 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000541590579 1012382236 /nfs/dbraw/zinc/38/22/36/1012382236.db2.gz XJJSQZXTAQKEAT-NZQKXSOJSA-N 1 0 407.493 3.561 20 30 HHEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[NH2+]C1(c3ccccc3)CC1)CCCC2 ZINC000537057495 1012389366 /nfs/dbraw/zinc/38/93/66/1012389366.db2.gz FVELMIHRJBOICF-LJQANCHMSA-N 1 0 418.541 3.635 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000537058870 1012392774 /nfs/dbraw/zinc/39/27/74/1012392774.db2.gz BLGVXLLHXCETCP-IBGZPJMESA-N 1 0 417.513 3.868 20 30 HHEDRO Cc1c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000541614967 1012419394 /nfs/dbraw/zinc/41/93/94/1012419394.db2.gz WXDXYSUBLIAOMI-QGZVFWFLSA-N 1 0 405.477 3.917 20 30 HHEDRO COc1ccc(CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)C)cc1OC ZINC000523790961 1012446196 /nfs/dbraw/zinc/44/61/96/1012446196.db2.gz GURSCDNPCBYBDO-UHFFFAOYSA-N 1 0 401.551 3.547 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000537107401 1012477345 /nfs/dbraw/zinc/47/73/45/1012477345.db2.gz YNBJMLZIVWYRCM-ROUUACIJSA-N 1 0 422.504 3.938 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000537113344 1012488394 /nfs/dbraw/zinc/48/83/94/1012488394.db2.gz KOVZYWDQVPEGLT-UHFFFAOYSA-N 1 0 414.937 3.884 20 30 HHEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)ccc2NC1=O ZINC000537156737 1012553567 /nfs/dbraw/zinc/55/35/67/1012553567.db2.gz WEBKMWNVVLJPNE-KPZWWZAWSA-N 1 0 412.877 3.610 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000523877572 1012574431 /nfs/dbraw/zinc/57/44/31/1012574431.db2.gz FCYVDCVLQCKKMO-OKZBNKHCSA-N 1 0 403.567 3.598 20 30 HHEDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(C)(C)C ZINC000523921548 1012646363 /nfs/dbraw/zinc/64/63/63/1012646363.db2.gz SQXIZJWHEYLLJU-MRXNPFEDSA-N 1 0 400.445 3.987 20 30 HHEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000541800165 1012677600 /nfs/dbraw/zinc/67/76/00/1012677600.db2.gz WOQVNVXIKYAUQW-CQSZACIVSA-N 1 0 400.914 3.591 20 30 HHEDRO COCC[N@@H+]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000523979338 1012727257 /nfs/dbraw/zinc/72/72/57/1012727257.db2.gz DQGBBZVHARHXMD-UHFFFAOYSA-N 1 0 413.905 3.798 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000523988418 1012736101 /nfs/dbraw/zinc/73/61/01/1012736101.db2.gz TZGRBFRGRNNVJC-SFHVURJKSA-N 1 0 423.536 3.742 20 30 HHEDRO COC(=O)c1cccc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)c1C#N ZINC000541861838 1012743392 /nfs/dbraw/zinc/74/33/92/1012743392.db2.gz LGZUKAUAZMVWED-UHFFFAOYSA-N 1 0 407.392 3.706 20 30 HHEDRO CC(C)C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537287650 1012744375 /nfs/dbraw/zinc/74/43/75/1012744375.db2.gz GMJMHYCOEXUKPY-RTWAWAEBSA-N 1 0 410.587 3.834 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000537307631 1012765465 /nfs/dbraw/zinc/76/54/65/1012765465.db2.gz DZOVTZNKVJKAIK-UHFFFAOYSA-N 1 0 404.436 3.605 20 30 HHEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000524137461 1012923481 /nfs/dbraw/zinc/92/34/81/1012923481.db2.gz XITGCVAPCGSUDV-UHFFFAOYSA-N 1 0 419.481 3.601 20 30 HHEDRO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]2CCCC[C@H]21 ZINC000542053147 1012964088 /nfs/dbraw/zinc/96/40/88/1012964088.db2.gz XVCPWNGEHGRVEJ-MDPIYQRISA-N 1 0 424.589 3.867 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)C2=O)cc1 ZINC000542056665 1012971426 /nfs/dbraw/zinc/97/14/26/1012971426.db2.gz CSRGZSHBKBHCBM-MSOLQXFVSA-N 1 0 417.435 3.606 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)N[C@@H]2CCCC[C@H]2C)[n+]2cccc(C)c2)c1 ZINC000729669558 1071785127 /nfs/dbraw/zinc/78/51/27/1071785127.db2.gz HIPPCFJGXZBFFB-NVXWUHKLSA-O 1 0 415.535 3.769 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001211975856 1071829709 /nfs/dbraw/zinc/82/97/09/1071829709.db2.gz RLDRZPQKHAGHQQ-XLIONFOSSA-N 1 0 401.507 3.592 20 30 HHEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001211975855 1071829858 /nfs/dbraw/zinc/82/98/58/1071829858.db2.gz RLDRZPQKHAGHQQ-PXNSSMCTSA-N 1 0 401.507 3.592 20 30 HHEDRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccc(C#N)cc2F)CC1 ZINC000533309287 1071849299 /nfs/dbraw/zinc/84/92/99/1071849299.db2.gz CWWOMLCHLIVIOY-UHFFFAOYSA-N 1 0 406.427 3.758 20 30 HHEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000568918850 1071974835 /nfs/dbraw/zinc/97/48/35/1071974835.db2.gz NNOBAVRZOMNYQX-UHFFFAOYSA-N 1 0 417.561 3.976 20 30 HHEDRO COc1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@]3(C1)COCCN(c1cccc(C#N)c1)C3)C2 ZINC001168272641 1072078984 /nfs/dbraw/zinc/07/89/84/1072078984.db2.gz ILXOOHFUFKIOBH-RSXGOPAZSA-N 1 0 417.553 3.653 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000729812112 1072127119 /nfs/dbraw/zinc/12/71/19/1072127119.db2.gz LXGJZOHSANRHCJ-SFHVURJKSA-N 1 0 416.319 3.506 20 30 HHEDRO N#CCOc1cccc(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000760403303 1072328753 /nfs/dbraw/zinc/32/87/53/1072328753.db2.gz MAVGLTOWDGMPPL-VWNXMTODSA-N 1 0 403.526 3.645 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000570889475 1072402980 /nfs/dbraw/zinc/40/29/80/1072402980.db2.gz XWHBWKWKEJNRQT-WIBUTAKZSA-N 1 0 401.576 3.963 20 30 HHEDRO C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806001 1072429277 /nfs/dbraw/zinc/42/92/77/1072429277.db2.gz OYRYDXKJVZXNLJ-XLIONFOSSA-N 1 0 412.553 3.683 20 30 HHEDRO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC1CCC([NH+](C)C)CC1 ZINC001168312371 1072493272 /nfs/dbraw/zinc/49/32/72/1072493272.db2.gz SROPIFGEIQXFTB-QETWGEEDSA-N 1 0 402.579 3.967 20 30 HHEDRO CC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586874866 1072499303 /nfs/dbraw/zinc/49/93/03/1072499303.db2.gz VTDYDXLMVYNKJF-MOPGFXCFSA-N 1 0 400.954 3.561 20 30 HHEDRO C[C@@](O)(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)C(F)(F)F ZINC001168331963 1072511888 /nfs/dbraw/zinc/51/18/88/1072511888.db2.gz UAWNNJMCESCGLG-CYBMUJFWSA-N 1 0 406.317 3.776 20 30 HHEDRO CCC(CC)(CNC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000587706287 1072651675 /nfs/dbraw/zinc/65/16/75/1072651675.db2.gz VFMPQTHXJIIUCK-RTBURBONSA-N 1 0 420.557 3.761 20 30 HHEDRO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](Nc1cccc[n+]1[O-])c1ccnc2ccc(OC)cc21 ZINC001168381805 1072818525 /nfs/dbraw/zinc/81/85/25/1072818525.db2.gz IAXFJZWDEWUEBJ-DWYHVSQESA-N 1 0 416.525 3.926 20 30 HHEDRO C=C(C)[C@H]([NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000479408638 1072829765 /nfs/dbraw/zinc/82/97/65/1072829765.db2.gz LNESOZHHYNLQHA-QFIPXVFZSA-N 1 0 404.457 3.895 20 30 HHEDRO C#CCNC(=S)C(C(=O)c1ccc(C(=O)OCC)cc1)[n+]1ccc(CCC)cc1 ZINC000783960275 1072895622 /nfs/dbraw/zinc/89/56/22/1072895622.db2.gz JFJIMFYWQOBGIC-UHFFFAOYSA-O 1 0 409.531 3.537 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000588212786 1072914174 /nfs/dbraw/zinc/91/41/74/1072914174.db2.gz HNNIDIYBJWDXLT-JOCHJYFZSA-N 1 0 419.525 3.590 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000588212787 1072914286 /nfs/dbraw/zinc/91/42/86/1072914286.db2.gz HNNIDIYBJWDXLT-QFIPXVFZSA-N 1 0 419.525 3.590 20 30 HHEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C#N)c1C ZINC000555130596 1073181964 /nfs/dbraw/zinc/18/19/64/1073181964.db2.gz VIJYQXJCHXZQPW-CTNGQTDRSA-N 1 0 416.472 3.798 20 30 HHEDRO C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000572138414 1073201329 /nfs/dbraw/zinc/20/13/29/1073201329.db2.gz TVMCDOJFJDEGOY-RXVVDRJESA-N 1 0 422.533 3.883 20 30 HHEDRO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000588780328 1073206223 /nfs/dbraw/zinc/20/62/23/1073206223.db2.gz VSMSULCDKKLNMU-BJKOFHAPSA-N 1 0 420.557 3.733 20 30 HHEDRO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000555244081 1073286424 /nfs/dbraw/zinc/28/64/24/1073286424.db2.gz AEDSSLTWKAFHEU-UHFFFAOYSA-N 1 0 421.545 3.816 20 30 HHEDRO CC(C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000555263914 1073296274 /nfs/dbraw/zinc/29/62/74/1073296274.db2.gz DPCRRRWSLQCNEI-LJQANCHMSA-N 1 0 416.447 3.785 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)c1C ZINC000555512046 1073578989 /nfs/dbraw/zinc/57/89/89/1073578989.db2.gz SCSGDJNKUAMGEX-GOSISDBHSA-N 1 0 424.511 3.803 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCC3Cc4ccccc4C3)CC2)cc1 ZINC000555632394 1073688181 /nfs/dbraw/zinc/68/81/81/1073688181.db2.gz WXIWZZYPQPXQSJ-UHFFFAOYSA-N 1 0 402.542 3.581 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1 ZINC000555687925 1073726852 /nfs/dbraw/zinc/72/68/52/1073726852.db2.gz BNUVUQTUXYAIFD-VQTJNVASSA-N 1 0 411.571 3.825 20 30 HHEDRO CSc1ccc([C@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000590532193 1073909474 /nfs/dbraw/zinc/90/94/74/1073909474.db2.gz PVCAYBPPDCHHQJ-YADHBBJMSA-N 1 0 408.571 3.668 20 30 HHEDRO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000591415385 1074280772 /nfs/dbraw/zinc/28/07/72/1074280772.db2.gz ZRBLEXNRNJWBCN-NRFANRHFSA-N 1 0 404.558 3.503 20 30 HHEDRO N#Cc1ccc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(C(F)(F)F)c1 ZINC000573409691 1074401138 /nfs/dbraw/zinc/40/11/38/1074401138.db2.gz PUUAGQIXBOAITI-GOSISDBHSA-N 1 0 416.447 3.886 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc(OC)c1OC ZINC000591583377 1074427315 /nfs/dbraw/zinc/42/73/15/1074427315.db2.gz BZCWMTVMSMVFEI-FQEVSTJZSA-N 1 0 401.551 3.592 20 30 HHEDRO C=C(Br)C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000760873239 1074495358 /nfs/dbraw/zinc/49/53/58/1074495358.db2.gz XRXMQFJPKSWKMA-UHFFFAOYSA-N 1 0 416.157 3.860 20 30 HHEDRO C=C(C)C[NH+]1CCC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 ZINC000592108892 1074686241 /nfs/dbraw/zinc/68/62/41/1074686241.db2.gz AVYGDZDYSGICLD-UHFFFAOYSA-N 1 0 417.344 4.551 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2C(F)(F)F)CC1 ZINC000592075563 1074687874 /nfs/dbraw/zinc/68/78/74/1074687874.db2.gz MPSYFLYHCBISOM-UHFFFAOYSA-N 1 0 406.452 3.970 20 30 HHEDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000760936513 1074699965 /nfs/dbraw/zinc/69/99/65/1074699965.db2.gz LZFMPSMMQZTQEP-AEFFLSMTSA-N 1 0 420.513 3.667 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)CC1 ZINC000592333621 1074730501 /nfs/dbraw/zinc/73/05/01/1074730501.db2.gz GCMMGPHUVMVETP-UHFFFAOYSA-N 1 0 410.518 3.831 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000573988234 1074749364 /nfs/dbraw/zinc/74/93/64/1074749364.db2.gz CFWGQXRKGXXBIA-WSCWJOSJSA-N 1 0 413.562 3.893 20 30 HHEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000574553458 1075290543 /nfs/dbraw/zinc/29/05/43/1075290543.db2.gz FVEGWNMPKJVDLH-OAHLLOKOSA-N 1 0 404.436 3.605 20 30 HHEDRO C=CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596103552 1075534634 /nfs/dbraw/zinc/53/46/34/1075534634.db2.gz CXAPVCIEFKDOGX-IBGZPJMESA-N 1 0 416.529 3.648 20 30 HHEDRO O=C1c2ccccc2C(Nc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)=C1c1ccccc1 ZINC001168410372 1075598272 /nfs/dbraw/zinc/59/82/72/1075598272.db2.gz XXXZBAYRQMEEQT-QGZVFWFLSA-N 1 0 407.477 3.983 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000601682017 1075642289 /nfs/dbraw/zinc/64/22/89/1075642289.db2.gz XEKGVGDYKNPQKF-UHFFFAOYSA-N 1 0 407.562 3.772 20 30 HHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(Cl)c3C#N)CC2)CC1 ZINC001164617159 719034628 /nfs/dbraw/zinc/03/46/28/719034628.db2.gz IJELUJUOSNPVNH-UHFFFAOYSA-N 1 0 411.333 3.504 20 30 HHEDRO CC(C)C[NH+]1CCN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)CC1 ZINC001164662604 719340786 /nfs/dbraw/zinc/34/07/86/719340786.db2.gz QFANORPGVSUHPB-UHFFFAOYSA-N 1 0 405.880 3.992 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164815388 720077213 /nfs/dbraw/zinc/07/72/13/720077213.db2.gz YXGAXZDGZMQWBT-SQJMNOBHSA-N 1 0 420.532 3.944 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001164813621 720193579 /nfs/dbraw/zinc/19/35/79/720193579.db2.gz CRLVPGFIOTXLTQ-MBSDFSHPSA-N 1 0 410.949 3.945 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@@H]21 ZINC001164840841 720531715 /nfs/dbraw/zinc/53/17/15/720531715.db2.gz UEXJELQWMMMFMI-FUDKSRODSA-N 1 0 400.530 3.681 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nccc4ccc(C#N)cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840843 720532660 /nfs/dbraw/zinc/53/26/60/720532660.db2.gz UEXJELQWMMMFMI-FUPPJEDESA-N 1 0 400.530 3.681 20 30 HHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733724 720551022 /nfs/dbraw/zinc/55/10/22/720551022.db2.gz QJIUJTJERAGBPW-UHFFFAOYSA-N 1 0 416.504 3.614 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(C#N)c(Cl)cc3Cl)CC[C@@H]21 ZINC001164838727 720634027 /nfs/dbraw/zinc/63/40/27/720634027.db2.gz LFVLJIUDLNPKLX-DOXZYTNZSA-N 1 0 419.360 3.834 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(C#N)c(Cl)cc3Cl)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838729 720634834 /nfs/dbraw/zinc/63/48/34/720634834.db2.gz LFVLJIUDLNPKLX-YZVOILCLSA-N 1 0 419.360 3.834 20 30 HHEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164880940 721178822 /nfs/dbraw/zinc/17/88/22/721178822.db2.gz XXYWYASVOJJIOJ-UXHICEINSA-N 1 0 419.916 3.635 20 30 HHEDRO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164900443 721512492 /nfs/dbraw/zinc/51/24/92/721512492.db2.gz RCAKDBNRGFKALO-DOTOQJQBSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904695 721546907 /nfs/dbraw/zinc/54/69/07/721546907.db2.gz FZRRSBDRXXJMKN-DOTOQJQBSA-N 1 0 422.838 3.633 20 30 HHEDRO N#Cc1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906216 721691511 /nfs/dbraw/zinc/69/15/11/721691511.db2.gz MLKXZYOFFDFJPK-JOCHJYFZSA-N 1 0 420.467 3.634 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cc1 ZINC000301378392 970896324 /nfs/dbraw/zinc/89/63/24/970896324.db2.gz XLGFVBSLMUSQLD-UHFFFAOYSA-N 1 0 402.401 3.780 20 30 HHEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000301492721 970956007 /nfs/dbraw/zinc/95/60/07/970956007.db2.gz OJVMFLBMSFBRFU-HNNXBMFYSA-N 1 0 415.987 3.596 20 30 HHEDRO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ccc(Cl)c(C#N)n4)CC3)n2)cc1 ZINC000301542578 970972521 /nfs/dbraw/zinc/97/25/21/970972521.db2.gz SOYJQNWYSMUSGH-UHFFFAOYSA-N 1 0 422.920 3.720 20 30 HHEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1Br ZINC000302749190 971301343 /nfs/dbraw/zinc/30/13/43/971301343.db2.gz DHEUCLNDLXSBRZ-KBPBESRZSA-N 1 0 408.340 3.839 20 30 HHEDRO NC(=NOCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000302970611 971426656 /nfs/dbraw/zinc/42/66/56/971426656.db2.gz IIJKENPKAIINSR-UHFFFAOYSA-N 1 0 418.900 3.741 20 30 HHEDRO Cc1ccc([C@H](C)NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1C ZINC000302971384 971427289 /nfs/dbraw/zinc/42/72/89/971427289.db2.gz ILTRLOWNEHBZGX-FQEVSTJZSA-N 1 0 422.573 3.804 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CC1 ZINC000303085136 971495602 /nfs/dbraw/zinc/49/56/02/971495602.db2.gz XGNHDLPDUKFVSI-UHFFFAOYSA-N 1 0 405.498 3.621 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(I)cc2C)CC1 ZINC000303371614 971666111 /nfs/dbraw/zinc/66/61/11/971666111.db2.gz VMKZONJOSMSBIA-UHFFFAOYSA-N 1 0 413.303 3.762 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000303470753 971772734 /nfs/dbraw/zinc/77/27/34/971772734.db2.gz HOPHRNYVXMOMRA-STZQEDGTSA-N 1 0 409.574 3.537 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000303655086 971934198 /nfs/dbraw/zinc/93/41/98/971934198.db2.gz VCNVAFSKWTZMEZ-LJQANCHMSA-N 1 0 417.619 3.622 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000303786169 972026848 /nfs/dbraw/zinc/02/68/48/972026848.db2.gz UCSTYYGQFVWGOB-QPPBQGQZSA-N 1 0 404.558 3.918 20 30 HHEDRO C=CC[N@@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537630229 1013183819 /nfs/dbraw/zinc/18/38/19/1013183819.db2.gz NMRKLPOWJITYAE-IAGOWNOFSA-N 1 0 405.502 3.744 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(N4CCCNC4=O)CC3)c2)c1 ZINC000537632194 1013185648 /nfs/dbraw/zinc/18/56/48/1013185648.db2.gz BESOPIVLQXLISP-UHFFFAOYSA-N 1 0 404.514 3.517 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 ZINC000303866418 972408959 /nfs/dbraw/zinc/40/89/59/972408959.db2.gz CISMIJRBACWQFB-AWEZNQCLSA-N 1 0 412.317 3.947 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(c3cccc(F)c3)CCCCC2)CC1 ZINC000303869618 972411067 /nfs/dbraw/zinc/41/10/67/972411067.db2.gz FADPKIPDGWPBHQ-UHFFFAOYSA-N 1 0 404.530 3.553 20 30 HHEDRO CCNC(=O)COc1ccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)cc1OC ZINC000303887415 972427751 /nfs/dbraw/zinc/42/77/51/972427751.db2.gz KVTKHOMJKGSLSI-UHFFFAOYSA-N 1 0 424.545 3.664 20 30 HHEDRO [NH2+]=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303889655 972429654 /nfs/dbraw/zinc/42/96/54/972429654.db2.gz PQUYNJSZZAOSQM-KRWDZBQOSA-N 1 0 422.407 3.630 20 30 HHEDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccc2c(c1)CCC2 ZINC000303891828 972431467 /nfs/dbraw/zinc/43/14/67/972431467.db2.gz QXKKHXBGJGUFOP-UHFFFAOYSA-N 1 0 418.463 3.958 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NCC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000303905034 972475996 /nfs/dbraw/zinc/47/59/96/972475996.db2.gz ZDNBITNNGUESMD-UHFFFAOYSA-N 1 0 403.910 3.832 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 ZINC000303905878 972476929 /nfs/dbraw/zinc/47/69/29/972476929.db2.gz VSBKIEDTRLUAGZ-IFXJQAMLSA-N 1 0 420.916 3.676 20 30 HHEDRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])NCCc2ccccc2)cn1 ZINC000303911237 972483816 /nfs/dbraw/zinc/48/38/16/972483816.db2.gz ZIYWYUWJEWUPBL-UHFFFAOYSA-N 1 0 406.486 3.538 20 30 HHEDRO CN(C)C(=O)C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000553253486 1013220311 /nfs/dbraw/zinc/22/03/11/1013220311.db2.gz NPUWWSQLJXQQEM-LJQANCHMSA-N 1 0 424.570 3.636 20 30 HHEDRO C[N@H+](CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)Cc1ccccc1 ZINC000553339980 1013285156 /nfs/dbraw/zinc/28/51/56/1013285156.db2.gz PHLQVQUXVFYHTB-UHFFFAOYSA-N 1 0 424.520 3.772 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553365962 1013304357 /nfs/dbraw/zinc/30/43/57/1013304357.db2.gz BQLITYAZZVBAOK-UTKZUKDTSA-N 1 0 414.912 3.596 20 30 HHEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000553450139 1013363337 /nfs/dbraw/zinc/36/33/37/1013363337.db2.gz PEJVDPMLADDPDS-GOSISDBHSA-N 1 0 416.541 3.762 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N(Cc3ccc(C#N)cc3)C3CC3)CC2)c1 ZINC000542416956 1013369241 /nfs/dbraw/zinc/36/92/41/1013369241.db2.gz WTDMETLGHDBECJ-UHFFFAOYSA-N 1 0 402.542 3.570 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000542423407 1013376344 /nfs/dbraw/zinc/37/63/44/1013376344.db2.gz ZFVSLCBXKOMUTP-UYAOXDASSA-N 1 0 414.550 3.702 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1OC ZINC000017911947 963241259 /nfs/dbraw/zinc/24/12/59/963241259.db2.gz ISOUKLGROWJZOH-NRFANRHFSA-N 1 0 410.514 3.836 20 30 HHEDRO COc1cc(CCC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)cc(OC)c1 ZINC000021396034 963459161 /nfs/dbraw/zinc/45/91/61/963459161.db2.gz MYYUHFINVLARNH-UHFFFAOYSA-N 1 0 413.562 3.691 20 30 HHEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406355 963460807 /nfs/dbraw/zinc/46/08/07/963460807.db2.gz YBXWKPXTCUBRTB-QGZVFWFLSA-N 1 0 421.932 3.618 20 30 HHEDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000542473226 1013420700 /nfs/dbraw/zinc/42/07/00/1013420700.db2.gz UEMKBGKJJMQDRR-SJLPKXTDSA-N 1 0 411.477 3.569 20 30 HHEDRO Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000542508704 1013453407 /nfs/dbraw/zinc/45/34/07/1013453407.db2.gz NADBBWLTVHJHDP-SFHVURJKSA-N 1 0 400.906 3.803 20 30 HHEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000542523959 1013466378 /nfs/dbraw/zinc/46/63/78/1013466378.db2.gz DDPSSLDMKJECEH-FGZHOGPDSA-N 1 0 424.614 3.622 20 30 HHEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000542523960 1013466591 /nfs/dbraw/zinc/46/65/91/1013466591.db2.gz DDPSSLDMKJECEH-VXKWHMMOSA-N 1 0 424.614 3.622 20 30 HHEDRO COC(=O)C[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000542532479 1013475921 /nfs/dbraw/zinc/47/59/21/1013475921.db2.gz QXCKEBNIYYYSPA-GUYCJALGSA-N 1 0 403.548 3.537 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025359554 964249866 /nfs/dbraw/zinc/24/98/66/964249866.db2.gz OWOMOQQTKFAVAI-OAQYLSRUSA-N 1 0 408.546 3.659 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(Cl)cc4c3OCC4)CC2)cc1 ZINC000542538514 1013483719 /nfs/dbraw/zinc/48/37/19/1013483719.db2.gz CDMLFDDQKIQMBL-UHFFFAOYSA-N 1 0 424.932 3.564 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000025540976 964301328 /nfs/dbraw/zinc/30/13/28/964301328.db2.gz SPYZETDDVBQSKJ-XMMPIXPASA-N 1 0 421.589 3.545 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)cc1 ZINC000026446781 964565357 /nfs/dbraw/zinc/56/53/57/964565357.db2.gz NDEQKEVDBIDEHW-IBGZPJMESA-N 1 0 401.304 3.725 20 30 HHEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)cc1 ZINC000051423812 964568005 /nfs/dbraw/zinc/56/80/05/964568005.db2.gz ZSPMSRAIVGKWSM-FQEVSTJZSA-N 1 0 415.331 3.919 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000051472326 964582972 /nfs/dbraw/zinc/58/29/72/964582972.db2.gz WCVJTPWCMXVMLH-AZUAARDMSA-N 1 0 401.304 3.898 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c1C#N ZINC000027119824 964790286 /nfs/dbraw/zinc/79/02/86/964790286.db2.gz HRFMHPXHPFFEKL-UHFFFAOYSA-N 1 0 419.573 3.524 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N(CC)C1CCCCC1 ZINC000052485633 964916119 /nfs/dbraw/zinc/91/61/19/964916119.db2.gz FBCXQXWXVLIJPN-UHFFFAOYSA-N 1 0 419.639 3.766 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccc2)[C@H]2CCCC2(C)C)CC1 ZINC000553669202 1013535273 /nfs/dbraw/zinc/53/52/73/1013535273.db2.gz NEIJPTKMGZHOJB-QFIPXVFZSA-N 1 0 411.590 3.751 20 30 HHEDRO COCC1(C)CC[NH+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000537997104 1013572228 /nfs/dbraw/zinc/57/22/28/1013572228.db2.gz CGHSWAWGWNSXEM-UHFFFAOYSA-N 1 0 412.534 3.695 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000553733105 1013577968 /nfs/dbraw/zinc/57/79/68/1013577968.db2.gz GMLWOMDOEBOGTR-QHCPKHFHSA-N 1 0 405.542 3.660 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@H+](CCCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000055172336 965773437 /nfs/dbraw/zinc/77/34/37/965773437.db2.gz IWNWFYHXOXJHTQ-UHFFFAOYSA-N 1 0 401.514 3.749 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000030972734 965844858 /nfs/dbraw/zinc/84/48/58/965844858.db2.gz XZASHCHQZACSLR-UHFFFAOYSA-N 1 0 412.331 3.598 20 30 HHEDRO CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000059747202 966029286 /nfs/dbraw/zinc/02/92/86/966029286.db2.gz FOGFKYXAVPPLPN-UHFFFAOYSA-N 1 0 411.980 3.806 20 30 HHEDRO COc1ccccc1[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[NH+]1CCCCC1 ZINC000055752505 966049007 /nfs/dbraw/zinc/04/90/07/966049007.db2.gz HYSBDBDJZZSSIJ-NQIIRXRSSA-N 1 0 407.514 3.678 20 30 HHEDRO O=C(CC(F)(F)F)N1CCC([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000542707361 1013621600 /nfs/dbraw/zinc/62/16/00/1013621600.db2.gz YEUVFQPEYRXWBO-UHFFFAOYSA-N 1 0 416.337 3.800 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Br)c1 ZINC000060564883 966207758 /nfs/dbraw/zinc/20/77/58/966207758.db2.gz DLHHJFSTSBLUEN-UHFFFAOYSA-N 1 0 415.335 3.594 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000060638038 966239834 /nfs/dbraw/zinc/23/98/34/966239834.db2.gz WWOSACLEJJAQCX-UHFFFAOYSA-N 1 0 418.541 3.886 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000041377960 966553113 /nfs/dbraw/zinc/55/31/13/966553113.db2.gz WELVBOTXULPEAK-UHFFFAOYSA-N 1 0 412.493 3.542 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC000062045909 966605716 /nfs/dbraw/zinc/60/57/16/966605716.db2.gz JZDCWWGSCHWEHY-UHFFFAOYSA-N 1 0 424.932 3.698 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000043295465 966947357 /nfs/dbraw/zinc/94/73/57/966947357.db2.gz USWIXVXDURYQSK-XMMPIXPASA-N 1 0 413.525 3.816 20 30 HHEDRO CC[C@@H](CNC(=O)N(CCOC)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000063787265 966956687 /nfs/dbraw/zinc/95/66/87/966956687.db2.gz BNAVUEWVXWCZLC-DEOSSOPVSA-N 1 0 420.557 3.553 20 30 HHEDRO Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CCC#N)CCC[NH+](C)C)cc12 ZINC000064361807 967155768 /nfs/dbraw/zinc/15/57/68/967155768.db2.gz GKDHDPHSOJJQKC-UHFFFAOYSA-N 1 0 413.522 3.842 20 30 HHEDRO COc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000045103208 967354902 /nfs/dbraw/zinc/35/49/02/967354902.db2.gz REHKSCPEXBKKEB-QGZVFWFLSA-N 1 0 410.493 3.684 20 30 HHEDRO C=CCn1c(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccccc1 ZINC000065168237 967398025 /nfs/dbraw/zinc/39/80/25/967398025.db2.gz ATYDYJDVWFZRQN-NRFANRHFSA-N 1 0 406.555 3.642 20 30 HHEDRO C=CCc1cc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)cc(OC)c1OC ZINC000065284165 967427405 /nfs/dbraw/zinc/42/74/05/967427405.db2.gz ZWQQUKAOOGCVQI-UHFFFAOYSA-N 1 0 403.567 3.886 20 30 HHEDRO C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000045381901 967442977 /nfs/dbraw/zinc/44/29/77/967442977.db2.gz FJBNAPVUGXOERV-IBGZPJMESA-N 1 0 406.530 3.502 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc(OC)c1OC ZINC000065389263 967450454 /nfs/dbraw/zinc/45/04/54/967450454.db2.gz LTCITPLCXMCTAG-UHFFFAOYSA-N 1 0 403.567 3.696 20 30 HHEDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCC(C)CC1 ZINC000065601437 967540936 /nfs/dbraw/zinc/54/09/36/967540936.db2.gz JSJGFUGPLXNBAH-SFHVURJKSA-N 1 0 420.513 3.526 20 30 HHEDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1OC ZINC000538175811 1013734519 /nfs/dbraw/zinc/73/45/19/1013734519.db2.gz UEDCLORILBGUNF-OFVILXPXSA-N 1 0 421.541 3.694 20 30 HHEDRO C[C@@H](OC[C@H](O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000046086921 967657011 /nfs/dbraw/zinc/65/70/11/967657011.db2.gz ICAWFWLOMYDHHY-XMSQKQJNSA-N 1 0 413.949 3.862 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000046121292 967667733 /nfs/dbraw/zinc/66/77/33/967667733.db2.gz BMEAJHOZKZFGSX-UHFFFAOYSA-N 1 0 412.603 3.783 20 30 HHEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1cc2c(cc1Br)OCCO2 ZINC000538181514 1013740287 /nfs/dbraw/zinc/74/02/87/1013740287.db2.gz ZRMQZRSIKMGKEE-CYBMUJFWSA-N 1 0 403.276 3.822 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N(C)Cc3cccc(C#N)c3)CC2)c1 ZINC000046867926 967996763 /nfs/dbraw/zinc/99/67/63/967996763.db2.gz QSZYBJXYQCSORT-UHFFFAOYSA-N 1 0 419.573 3.611 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(C)C ZINC000046905704 968005671 /nfs/dbraw/zinc/00/56/71/968005671.db2.gz RHCYYZDDSDWHLF-QFIPXVFZSA-N 1 0 412.578 3.745 20 30 HHEDRO COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046986079 968023582 /nfs/dbraw/zinc/02/35/82/968023582.db2.gz ABHBDSABCLRPSK-QGZVFWFLSA-N 1 0 410.493 3.684 20 30 HHEDRO Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047011216 968031504 /nfs/dbraw/zinc/03/15/04/968031504.db2.gz YKWTUNOHEJIOPY-UHFFFAOYSA-N 1 0 409.578 3.551 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945561 1013778070 /nfs/dbraw/zinc/77/80/70/1013778070.db2.gz UFFWFOFUYZWTLN-INIZCTEOSA-N 1 0 403.507 3.936 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000538230853 1013780256 /nfs/dbraw/zinc/78/02/56/1013780256.db2.gz ZUUHQHIKPDVFAS-IAGOWNOFSA-N 1 0 420.542 3.808 20 30 HHEDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000047783130 968310739 /nfs/dbraw/zinc/31/07/39/968310739.db2.gz JNFOSOQIOIHYHB-CYBMUJFWSA-N 1 0 404.565 3.554 20 30 HHEDRO COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2=O)c(OC)c1 ZINC000554078844 1013788988 /nfs/dbraw/zinc/78/89/88/1013788988.db2.gz NNEITEHVXHMHQX-GOTSBHOMSA-N 1 0 419.525 3.734 20 30 HHEDRO Cc1cc(Br)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930362 968720571 /nfs/dbraw/zinc/72/05/71/968720571.db2.gz BFCKELNQZFVTOW-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO Cc1ccc(NC(=O)[C@@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c(F)c1 ZINC000097571244 969164833 /nfs/dbraw/zinc/16/48/33/969164833.db2.gz MMYRVFVGASWBSX-QGZVFWFLSA-N 1 0 412.509 3.784 20 30 HHEDRO COc1ccc([C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[NH+]2CCCC2)cc1 ZINC000108467864 969387516 /nfs/dbraw/zinc/38/75/16/969387516.db2.gz RTENWOQZCZJGJO-UPVQGACJSA-N 1 0 421.541 3.924 20 30 HHEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000108927906 969434988 /nfs/dbraw/zinc/43/49/88/969434988.db2.gz GZPHPASOPCQRMD-SFHVURJKSA-N 1 0 400.563 3.990 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000109357791 969505255 /nfs/dbraw/zinc/50/52/55/969505255.db2.gz SMYLBRXIILEOEV-INIZCTEOSA-N 1 0 419.447 3.935 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nn(-c4ccccc4)c4c3CCC4)CC2)cc1 ZINC000109390272 969510750 /nfs/dbraw/zinc/51/07/50/969510750.db2.gz BOVLZXJOCJFBBA-UHFFFAOYSA-N 1 0 411.553 3.941 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000110298560 969650103 /nfs/dbraw/zinc/65/01/03/969650103.db2.gz GBWLTLORLWCKNY-QHCPKHFHSA-N 1 0 400.482 3.883 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)C[C@H](C)O1 ZINC000110991025 969755354 /nfs/dbraw/zinc/75/53/54/969755354.db2.gz GPSAYGSZSYHBHO-BGYRXZFFSA-N 1 0 422.573 3.559 20 30 HHEDRO CCCCN(C(=O)COc1ccc(C#N)cc1OC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111023570 969761654 /nfs/dbraw/zinc/76/16/54/969761654.db2.gz FECJKXOOYOKIRG-UHFFFAOYSA-N 1 0 401.551 3.884 20 30 HHEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111040531 969765355 /nfs/dbraw/zinc/76/53/55/969765355.db2.gz RYARRNGSQUJUEM-INIZCTEOSA-N 1 0 405.477 3.979 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000111200053 969800445 /nfs/dbraw/zinc/80/04/45/969800445.db2.gz HEXJIKOFASUFDJ-UHFFFAOYSA-N 1 0 424.589 3.828 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000195668229 969944166 /nfs/dbraw/zinc/94/41/66/969944166.db2.gz RBLUNRXRDMKZIG-XMMPIXPASA-N 1 0 405.542 3.990 20 30 HHEDRO C=CCn1c(-c2cccnc2)nn(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1=S ZINC000195687975 969958563 /nfs/dbraw/zinc/95/85/63/969958563.db2.gz FZVVPLGEAKQKDB-HXUWFJFHSA-N 1 0 406.559 3.608 20 30 HHEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000236733653 970165188 /nfs/dbraw/zinc/16/51/88/970165188.db2.gz LDVXRMBTGFCUQG-UHFFFAOYSA-N 1 0 407.333 3.663 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)ccc1OC ZINC000142902982 970172977 /nfs/dbraw/zinc/17/29/77/970172977.db2.gz BCBUWPHNIRQZQC-RTBURBONSA-N 1 0 411.546 3.949 20 30 HHEDRO CCOc1cc(C[NH2+]CCOc2ccc(C#N)cc2)cc(Br)c1OC ZINC000236932220 970190837 /nfs/dbraw/zinc/19/08/37/970190837.db2.gz IBIOEQLCTLGLBP-UHFFFAOYSA-N 1 0 405.292 3.897 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1OC ZINC000237228794 970244729 /nfs/dbraw/zinc/24/47/29/970244729.db2.gz CMRCJJNHUIEKQK-KRWDZBQOSA-N 1 0 406.320 3.716 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cc(OC)c1O ZINC000237274502 970253120 /nfs/dbraw/zinc/25/31/20/970253120.db2.gz QTNGVZYCLZOKJG-UHFFFAOYSA-N 1 0 406.482 3.942 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc(OC)c1O ZINC000237429401 970284553 /nfs/dbraw/zinc/28/45/53/970284553.db2.gz SEFZWJSVBXBUNT-OAQYLSRUSA-N 1 0 416.949 3.946 20 30 HHEDRO COc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1OCCCC#N ZINC000237473549 970294791 /nfs/dbraw/zinc/29/47/91/970294791.db2.gz OBKNVRILHMESEE-RTBURBONSA-N 1 0 424.545 3.676 20 30 HHEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237547865 970311369 /nfs/dbraw/zinc/31/13/69/970311369.db2.gz ASZCEKLNUJBKPF-BGYRXZFFSA-N 1 0 406.526 3.628 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000554628878 1013993373 /nfs/dbraw/zinc/99/33/73/1013993373.db2.gz HLORAHDNXJQGIV-AUSIDOKSSA-N 1 0 420.557 3.547 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000554628880 1013993408 /nfs/dbraw/zinc/99/34/08/1013993408.db2.gz HLORAHDNXJQGIV-WMZHIEFXSA-N 1 0 420.557 3.547 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000195601126 970542765 /nfs/dbraw/zinc/54/27/65/970542765.db2.gz TXWCWDMTCUCRBX-LJQANCHMSA-N 1 0 407.411 3.798 20 30 HHEDRO C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](c2ccccc2)C1 ZINC000255953588 970605880 /nfs/dbraw/zinc/60/58/80/970605880.db2.gz CYENJJSSDMSWBP-FQEVSTJZSA-N 1 0 408.571 3.816 20 30 HHEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCC(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000303971366 972558763 /nfs/dbraw/zinc/55/87/63/972558763.db2.gz DMMIKVWNFIRQHT-UHFFFAOYSA-N 1 0 414.472 3.508 20 30 HHEDRO CC(C)(C)OC(=O)N(CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000303980227 972565250 /nfs/dbraw/zinc/56/52/50/972565250.db2.gz NXHNTCQMYGYQGW-UHFFFAOYSA-N 1 0 402.417 3.711 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1OC ZINC000303985486 972568141 /nfs/dbraw/zinc/56/81/41/972568141.db2.gz SVUHKBDHOZCTLH-HNNXBMFYSA-N 1 0 402.926 3.919 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000303986770 972569727 /nfs/dbraw/zinc/56/97/27/972569727.db2.gz UWGWABIOIFAYEO-OAQYLSRUSA-N 1 0 416.953 3.927 20 30 HHEDRO CN(C)C(=O)COc1cccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304482916 972601366 /nfs/dbraw/zinc/60/13/66/972601366.db2.gz KFQLRIOLUISOKG-UHFFFAOYSA-N 1 0 418.497 3.873 20 30 HHEDRO COc1ccc([C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)N2CCCCC2)cc1 ZINC000304515192 972602837 /nfs/dbraw/zinc/60/28/37/972602837.db2.gz YOYZGJNKRVAZRU-VXKWHMMOSA-N 1 0 408.546 3.650 20 30 HHEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC(=O)N2CCc3ccccc32)c1 ZINC000304765706 972607051 /nfs/dbraw/zinc/60/70/51/972607051.db2.gz ZOQYMTVIEDALBQ-UHFFFAOYSA-N 1 0 410.518 3.580 20 30 HHEDRO COc1ccc(CCNC(=[NH2+])NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000304936841 972608627 /nfs/dbraw/zinc/60/86/27/972608627.db2.gz JUKDWFREJFOQOP-UHFFFAOYSA-N 1 0 412.534 3.732 20 30 HHEDRO [NH2+]=C(NCCCC(=O)N1Cc2ccccc2C1)Nc1ccccc1OC(F)(F)F ZINC000305178457 972610171 /nfs/dbraw/zinc/61/01/71/972610171.db2.gz BBWBJDHAZKIEQU-UHFFFAOYSA-N 1 0 406.408 3.634 20 30 HHEDRO [NH2+]=C(NCc1cccnc1OCC(F)(F)F)Nc1ccccc1OC(F)(F)F ZINC000305216109 972610484 /nfs/dbraw/zinc/61/04/84/972610484.db2.gz IHJCTKFSSYGFEF-UHFFFAOYSA-N 1 0 408.302 3.848 20 30 HHEDRO Cc1cccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N2CCOCC2)c1 ZINC000305226448 972611786 /nfs/dbraw/zinc/61/17/86/972611786.db2.gz KRYDVLAVCFWPRU-GOSISDBHSA-N 1 0 422.451 3.694 20 30 HHEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000305225057 972611931 /nfs/dbraw/zinc/61/19/31/972611931.db2.gz YFOBAUIGZMPMPY-ZDUSSCGKSA-N 1 0 415.437 3.564 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000305657972 972613495 /nfs/dbraw/zinc/61/34/95/972613495.db2.gz GADUKPHALYYYOA-HNNXBMFYSA-N 1 0 405.779 3.516 20 30 HHEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379703629 972772714 /nfs/dbraw/zinc/77/27/14/972772714.db2.gz FYXSSCKRLLLQIA-YJBOKZPZSA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000409492344 972943020 /nfs/dbraw/zinc/94/30/20/972943020.db2.gz PVRUQMQRSONJCY-ZIAGYGMSSA-N 1 0 415.481 3.508 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000409518130 972972955 /nfs/dbraw/zinc/97/29/55/972972955.db2.gz KPPGCMFPRVSKJG-IAGOWNOFSA-N 1 0 410.331 3.913 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(C#N)cc1 ZINC000554844302 1014072031 /nfs/dbraw/zinc/07/20/31/1014072031.db2.gz SWASYBWJBYBWTG-VGOFRKELSA-N 1 0 410.949 3.816 20 30 HHEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000554843892 1014072043 /nfs/dbraw/zinc/07/20/43/1014072043.db2.gz RDBSLILAHKXMEH-LOSJGSFVSA-N 1 0 410.521 3.755 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000409562503 973015418 /nfs/dbraw/zinc/01/54/18/973015418.db2.gz RDIOUQMHPQBBHY-LZWOXQAQSA-N 1 0 415.481 3.603 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](Nc3ccc(C(F)(F)F)c(C#N)n3)CC[N@@H+]2C2CC2)c1 ZINC000409735624 973210755 /nfs/dbraw/zinc/21/07/55/973210755.db2.gz YLWHCKPXDSSGRU-FXAWDEMLSA-N 1 0 402.420 4.371 20 30 HHEDRO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000410320604 973867787 /nfs/dbraw/zinc/86/77/87/973867787.db2.gz GBSPSSYCSORHIU-UHFFFAOYSA-N 1 0 423.460 3.867 20 30 HHEDRO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410422567 974020516 /nfs/dbraw/zinc/02/05/16/974020516.db2.gz MCVCXONKQYEYOH-LJQANCHMSA-N 1 0 409.534 3.516 20 30 HHEDRO CC1(C)CC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC(C)(C)[NH2+]1 ZINC000425950282 974056369 /nfs/dbraw/zinc/05/63/69/974056369.db2.gz LHKNAMVMHSRBHH-UHFFFAOYSA-N 1 0 420.513 3.714 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC2(O)CCCCCC2)c1C#N ZINC000426208130 974313166 /nfs/dbraw/zinc/31/31/66/974313166.db2.gz YZLOBGRLPBNPPO-UHFFFAOYSA-N 1 0 412.534 3.574 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426776236 974651912 /nfs/dbraw/zinc/65/19/12/974651912.db2.gz XGFYJIPJMYNQQN-UYAOXDASSA-N 1 0 406.592 3.701 20 30 HHEDRO C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCCC1 ZINC000426979336 974795691 /nfs/dbraw/zinc/79/56/91/974795691.db2.gz AJJLPGGNNQIZCE-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000427310040 975043045 /nfs/dbraw/zinc/04/30/45/975043045.db2.gz XFGZCLBPNHXOFA-KDURUIRLSA-N 1 0 415.603 3.529 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2I)CC1 ZINC000428788586 976063577 /nfs/dbraw/zinc/06/35/77/976063577.db2.gz PGOWIHVVOMZEPP-UHFFFAOYSA-N 1 0 417.266 3.592 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000428789967 976064470 /nfs/dbraw/zinc/06/44/70/976064470.db2.gz PRAOIQKUKZQAPP-KSSFIOAISA-N 1 0 423.376 3.737 20 30 HHEDRO CCC1(CC)[C@@H]([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1OC ZINC000429314937 976584567 /nfs/dbraw/zinc/58/45/67/976584567.db2.gz ZDQXLDJNWWRCCE-PMACEKPBSA-N 1 0 412.534 3.740 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000429353066 976618098 /nfs/dbraw/zinc/61/80/98/976618098.db2.gz JBJIEQREFNBCHN-DEOSSOPVSA-N 1 0 406.530 3.779 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)c2)c1 ZINC000429471785 976738336 /nfs/dbraw/zinc/73/83/36/976738336.db2.gz VDCFPXWFUNGMTC-HSZRJFAPSA-N 1 0 419.525 3.821 20 30 HHEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000429472350 976738575 /nfs/dbraw/zinc/73/85/75/976738575.db2.gz PASULJUXPMASSH-NRFANRHFSA-N 1 0 405.502 3.759 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1C#N ZINC000429723557 977013304 /nfs/dbraw/zinc/01/33/04/977013304.db2.gz NQTHJKRTRVSDFT-PMOQBDJRSA-N 1 0 418.541 3.842 20 30 HHEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429771688 977058315 /nfs/dbraw/zinc/05/83/15/977058315.db2.gz NDFUOSYWKBILNC-SESVDKBCSA-N 1 0 408.949 3.647 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430329312 977480126 /nfs/dbraw/zinc/48/01/26/977480126.db2.gz GVBVULSDDIZEFI-RDJZCZTQSA-N 1 0 410.905 3.524 20 30 HHEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(SCC#N)c1 ZINC000430615555 977656123 /nfs/dbraw/zinc/65/61/23/977656123.db2.gz CNDBZUDUQPCXJP-UHFFFAOYSA-N 1 0 410.543 3.705 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000430664978 977676060 /nfs/dbraw/zinc/67/60/60/977676060.db2.gz JSDZBBTWLRMEOL-UGKGYDQZSA-N 1 0 408.542 3.972 20 30 HHEDRO C=CCN1C(=O)N(Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430754846 977732023 /nfs/dbraw/zinc/73/20/23/977732023.db2.gz NUZCKHRKSZUDTG-HSZRJFAPSA-N 1 0 403.526 3.844 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000431127360 978035620 /nfs/dbraw/zinc/03/56/20/978035620.db2.gz OVDGRXWDLJYVAN-SFHVURJKSA-N 1 0 403.592 3.654 20 30 HHEDRO Cc1noc(C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)n1 ZINC000431179888 978079016 /nfs/dbraw/zinc/07/90/16/978079016.db2.gz NMCUAEDKWAYYKZ-DJJJIMSYSA-N 1 0 409.877 3.804 20 30 HHEDRO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431588015 978371174 /nfs/dbraw/zinc/37/11/74/978371174.db2.gz YXBUQLBQWAYMGI-UHFFFAOYSA-N 1 0 409.555 3.544 20 30 HHEDRO CC(C)CC[NH+]1CCC(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000431649494 978408604 /nfs/dbraw/zinc/40/86/04/978408604.db2.gz VVBLJLJPOQLMIF-UHFFFAOYSA-N 1 0 411.594 3.538 20 30 HHEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc1 ZINC000431766688 978496017 /nfs/dbraw/zinc/49/60/17/978496017.db2.gz RPAHHDHQTLKERJ-HZPDHXFCSA-N 1 0 412.456 3.841 20 30 HHEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000431954519 978617504 /nfs/dbraw/zinc/61/75/04/978617504.db2.gz QSSJFMZBBBCKEV-SFHVURJKSA-N 1 0 404.514 3.585 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000432032249 978653939 /nfs/dbraw/zinc/65/39/39/978653939.db2.gz LUQZVDRLQQBQIG-WMZHIEFXSA-N 1 0 418.541 3.669 20 30 HHEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432186825 978705353 /nfs/dbraw/zinc/70/53/53/978705353.db2.gz RECWJWPLDPWBNN-NRFANRHFSA-N 1 0 418.541 3.648 20 30 HHEDRO C[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000432192556 978707930 /nfs/dbraw/zinc/70/79/30/978707930.db2.gz NPYLRUHGXVUBFI-FQEVSTJZSA-N 1 0 418.541 3.790 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)N2CCC(C#N)(COC)CC2)[NH+](CC)CC)cc1 ZINC000432451407 978819793 /nfs/dbraw/zinc/81/97/93/978819793.db2.gz SQFYTYQNMWHIKZ-OAQYLSRUSA-N 1 0 400.567 3.594 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000432585825 978901322 /nfs/dbraw/zinc/90/13/22/978901322.db2.gz VMAMCMTYJLYZOG-HXUWFJFHSA-N 1 0 408.502 3.603 20 30 HHEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)C2)C1 ZINC000432787752 978974409 /nfs/dbraw/zinc/97/44/09/978974409.db2.gz IBXLFOZEASQFHC-HSZRJFAPSA-N 1 0 408.477 3.836 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[NH2+][C@H]1CC3CCC1CC3)CCCC2 ZINC000433004570 979039151 /nfs/dbraw/zinc/03/91/51/979039151.db2.gz FVLHRJIPLFQXAM-XVAHUTHZSA-N 1 0 410.562 3.524 20 30 HHEDRO C[C@@H](c1ccccc1)N1CCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433012487 979041555 /nfs/dbraw/zinc/04/15/55/979041555.db2.gz TWPMRMURKGILQE-XUZZJYLKSA-N 1 0 404.558 3.917 20 30 HHEDRO COc1ccccc1-c1noc(C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)n1 ZINC000433138344 979093459 /nfs/dbraw/zinc/09/34/59/979093459.db2.gz RSIURHSDPJXSNA-UHFFFAOYSA-N 1 0 404.470 3.875 20 30 HHEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CCc2ccccc2C1 ZINC000433313247 979230663 /nfs/dbraw/zinc/23/06/63/979230663.db2.gz UQWUGARSCGQEEC-UHFFFAOYSA-N 1 0 414.557 3.785 20 30 HHEDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433314616 979231514 /nfs/dbraw/zinc/23/15/14/979231514.db2.gz VWMPHZQPTOHXPB-GOSISDBHSA-N 1 0 416.529 3.677 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000433333564 979243753 /nfs/dbraw/zinc/24/37/53/979243753.db2.gz HKTCSKMFPLFYPA-OAQYLSRUSA-N 1 0 404.493 3.756 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433346952 979252885 /nfs/dbraw/zinc/25/28/85/979252885.db2.gz JIBNECBPEHGMCO-FPOVZHCZSA-N 1 0 422.548 3.917 20 30 HHEDRO COC(=O)[C@@H](NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc(C#N)c1 ZINC000434861213 980454642 /nfs/dbraw/zinc/45/46/42/980454642.db2.gz LOPMCQMQLBHOFA-QHCPKHFHSA-N 1 0 403.482 3.787 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000434870139 980459139 /nfs/dbraw/zinc/45/91/39/980459139.db2.gz PJQYFTLOVIFMGY-DYESRHJHSA-N 1 0 408.571 3.747 20 30 HHEDRO CC[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000434985525 980550265 /nfs/dbraw/zinc/55/02/65/980550265.db2.gz BDLFIZGWVAGZDH-XMMPIXPASA-N 1 0 414.557 3.955 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)C(C)C ZINC000435037867 980588055 /nfs/dbraw/zinc/58/80/55/980588055.db2.gz YMKCBZCYSIEBSQ-LJQANCHMSA-N 1 0 406.958 3.862 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c(-c2ccncc2)n1 ZINC000435048540 980595437 /nfs/dbraw/zinc/59/54/37/980595437.db2.gz NLDGWJVACFBKFL-UHFFFAOYSA-N 1 0 415.545 3.771 20 30 HHEDRO CN(Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435126696 980658166 /nfs/dbraw/zinc/65/81/66/980658166.db2.gz PUZFVTZWNUAZEH-QFIPXVFZSA-N 1 0 414.557 3.813 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2ccncc2)n1 ZINC000435127167 980658927 /nfs/dbraw/zinc/65/89/27/980658927.db2.gz ANTRIKOZPXPILC-OAQYLSRUSA-N 1 0 415.497 3.967 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cc1C(F)(F)F ZINC000435151091 980681275 /nfs/dbraw/zinc/68/12/75/980681275.db2.gz GJYUEMQIALJMER-UHFFFAOYSA-N 1 0 423.460 3.868 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1C(F)(F)F ZINC000435174166 980698327 /nfs/dbraw/zinc/69/83/27/980698327.db2.gz SCHQMCSHXFSHPA-UHFFFAOYSA-N 1 0 415.481 3.652 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1C#N ZINC000435546909 980934366 /nfs/dbraw/zinc/93/43/66/980934366.db2.gz YROVRZPTKLZJJN-UHFFFAOYSA-N 1 0 422.529 3.624 20 30 HHEDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1F ZINC000435550439 980936393 /nfs/dbraw/zinc/93/63/93/980936393.db2.gz OQODADWBXIXECC-UHFFFAOYSA-N 1 0 420.492 3.787 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000435730243 981006338 /nfs/dbraw/zinc/00/63/38/981006338.db2.gz DAMSGYCLDWMEKH-IRLDBZIGSA-N 1 0 405.546 3.735 20 30 HHEDRO C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000435925920 981096336 /nfs/dbraw/zinc/09/63/36/981096336.db2.gz HIYFOJSGOICOMA-UYAOXDASSA-N 1 0 408.521 3.527 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cc1 ZINC000436251917 981269911 /nfs/dbraw/zinc/26/99/11/981269911.db2.gz ZLJMWWUSRDCXGJ-UHFFFAOYSA-N 1 0 403.526 3.627 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000436373683 981334099 /nfs/dbraw/zinc/33/40/99/981334099.db2.gz TUEGEKISMLJSDT-XJUOHMSHSA-N 1 0 423.561 3.741 20 30 HHEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000436505439 981407086 /nfs/dbraw/zinc/40/70/86/981407086.db2.gz SQCANXWAKBZXMI-UHFFFAOYSA-N 1 0 409.534 3.698 20 30 HHEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3O)CC2)c(C(F)(F)F)c1 ZINC000436920523 981624256 /nfs/dbraw/zinc/62/42/56/981624256.db2.gz PSPJRVXSXSCPBI-UHFFFAOYSA-N 1 0 403.404 3.677 20 30 HHEDRO N#Cc1cnccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000448352429 981717636 /nfs/dbraw/zinc/71/76/36/981717636.db2.gz UORKZVVKXCGGSL-FCHUYYIVSA-N 1 0 416.912 3.883 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OCC(F)(F)F ZINC000448383145 981740262 /nfs/dbraw/zinc/74/02/62/981740262.db2.gz OPJIHYNJJOLXDJ-RDTXWAMCSA-N 1 0 422.451 3.980 20 30 HHEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460211567 981986791 /nfs/dbraw/zinc/98/67/91/981986791.db2.gz NKULBVDTHCYPSH-RBUKOAKNSA-N 1 0 400.530 3.936 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460396249 982176832 /nfs/dbraw/zinc/17/68/32/982176832.db2.gz XMDJLQSCBUJDLL-MJGOQNOKSA-N 1 0 413.566 3.705 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2nc3ccccc3n2C)c(OC)c1 ZINC000437602000 982224057 /nfs/dbraw/zinc/22/40/57/982224057.db2.gz KIZRWNHDFZWMHG-KNQAVFIVSA-N 1 0 421.541 3.887 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460545809 982332577 /nfs/dbraw/zinc/33/25/77/982332577.db2.gz SJSROKGTIANPIX-UGKGYDQZSA-N 1 0 423.561 3.821 20 30 HHEDRO C[NH+]1CCC(Oc2ccc(NCc3cccn3Cc3ccccc3C#N)cn2)CC1 ZINC000437761604 982341203 /nfs/dbraw/zinc/34/12/03/982341203.db2.gz HPKAEHQULYLCHI-UHFFFAOYSA-N 1 0 401.514 3.888 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000460557904 982343897 /nfs/dbraw/zinc/34/38/97/982343897.db2.gz YHJQUBJBXOWQIU-FYYLOGMGSA-N 1 0 423.605 3.945 20 30 HHEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000460562800 982348279 /nfs/dbraw/zinc/34/82/79/982348279.db2.gz IGOFFYGDOCJNDM-PKTZIBPZSA-N 1 0 422.621 3.612 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460564635 982349759 /nfs/dbraw/zinc/34/97/59/982349759.db2.gz XJLSAISAJNUTNT-KNQAVFIVSA-N 1 0 411.594 3.815 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460566440 982351249 /nfs/dbraw/zinc/35/12/49/982351249.db2.gz RXUWSBKXSYAYDG-ZIAGYGMSSA-N 1 0 407.360 3.531 20 30 HHEDRO CC(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460599367 982381413 /nfs/dbraw/zinc/38/14/13/982381413.db2.gz JKEXYBYUGUQZEL-SIKLNZKXSA-N 1 0 422.577 3.616 20 30 HHEDRO N#CCCn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1-c1ccccc1 ZINC000437840159 982397125 /nfs/dbraw/zinc/39/71/25/982397125.db2.gz IKIZLMWLUVWELG-NRFANRHFSA-N 1 0 405.546 3.991 20 30 HHEDRO N#CCCN(C(=O)CCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000437865412 982420475 /nfs/dbraw/zinc/42/04/75/982420475.db2.gz CPDHJBNJHZUSMX-QFIPXVFZSA-N 1 0 410.562 3.627 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000437954860 982485733 /nfs/dbraw/zinc/48/57/33/982485733.db2.gz LMMMPDQLVIBDDN-HHXXYDBFSA-N 1 0 412.452 3.594 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)C[C@@H]1C ZINC000460746646 982505191 /nfs/dbraw/zinc/50/51/91/982505191.db2.gz DSWIJBAOPOVSAL-ICSRJNTNSA-N 1 0 410.566 3.694 20 30 HHEDRO C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460779015 982531271 /nfs/dbraw/zinc/53/12/71/982531271.db2.gz BTQMTDKOAMJUHQ-UHFFFAOYSA-N 1 0 410.522 3.884 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460790109 982543295 /nfs/dbraw/zinc/54/32/95/982543295.db2.gz ZZTJCIXYOWSUTE-OAQYLSRUSA-N 1 0 402.546 3.935 20 30 HHEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@H]1C ZINC000460806831 982559840 /nfs/dbraw/zinc/55/98/40/982559840.db2.gz YFBJTRTVRUGTDL-OAQYLSRUSA-N 1 0 408.594 3.598 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438136775 982606894 /nfs/dbraw/zinc/60/68/94/982606894.db2.gz FUHZDBAYOURIJI-JOCHJYFZSA-N 1 0 409.578 3.577 20 30 HHEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460935093 982672777 /nfs/dbraw/zinc/67/27/77/982672777.db2.gz UQPACBSLNUSUOJ-FQEVSTJZSA-N 1 0 402.546 3.935 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460952003 982685628 /nfs/dbraw/zinc/68/56/28/982685628.db2.gz NLVNOUHWPDNPPH-RTBURBONSA-N 1 0 413.566 3.751 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460959842 982691876 /nfs/dbraw/zinc/69/18/76/982691876.db2.gz PWIARTDFZLBVBQ-UGKGYDQZSA-N 1 0 419.577 3.744 20 30 HHEDRO N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000438605575 982933224 /nfs/dbraw/zinc/93/32/24/982933224.db2.gz GVVNZFHWTNOYDF-DDRJZQQSSA-N 1 0 418.541 3.672 20 30 HHEDRO N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438614935 982938772 /nfs/dbraw/zinc/93/87/72/982938772.db2.gz ZGAFXOBFMOVANW-VNXZQDSDSA-N 1 0 418.541 3.814 20 30 HHEDRO N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000438614936 982938836 /nfs/dbraw/zinc/93/88/36/982938836.db2.gz ZGAFXOBFMOVANW-XPPIMPSXSA-N 1 0 418.541 3.814 20 30 HHEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1C(F)(F)F ZINC000438642824 982961556 /nfs/dbraw/zinc/96/15/56/982961556.db2.gz RDROOBRYRXWYQP-UHFFFAOYSA-N 1 0 403.408 3.758 20 30 HHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@H](C[NH+](C)C)C3)sc2C1 ZINC000461364053 983041133 /nfs/dbraw/zinc/04/11/33/983041133.db2.gz SPYMQYDWAGWVNO-SJORKVTESA-N 1 0 416.635 3.983 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000438836023 983105039 /nfs/dbraw/zinc/10/50/39/983105039.db2.gz DRHUHHSERAPGBY-BJKOFHAPSA-N 1 0 419.573 3.709 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)cc3C)CC2)c1C ZINC000439074500 983238152 /nfs/dbraw/zinc/23/81/52/983238152.db2.gz DMTMHZWZSLTOFA-UHFFFAOYSA-N 1 0 406.530 3.624 20 30 HHEDRO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000439128760 983264218 /nfs/dbraw/zinc/26/42/18/983264218.db2.gz PANMCPJQBMQRND-UHFFFAOYSA-N 1 0 400.320 3.833 20 30 HHEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)NCCSCc1ccccc1C#N ZINC000439252736 983333070 /nfs/dbraw/zinc/33/30/70/983333070.db2.gz APCASSGRRPFNNV-UHFFFAOYSA-N 1 0 402.589 3.626 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC([C@@H]3CCCO3)CC2)c1C#N ZINC000439288872 983347273 /nfs/dbraw/zinc/34/72/73/983347273.db2.gz DSQUZEOBTOOWSR-QFIPXVFZSA-N 1 0 424.545 3.838 20 30 HHEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000439454648 983417742 /nfs/dbraw/zinc/41/77/42/983417742.db2.gz OGHCUXMMCQXNAZ-MSOLQXFVSA-N 1 0 416.591 3.646 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000439575007 983456963 /nfs/dbraw/zinc/45/69/63/983456963.db2.gz UDUOFKKUPPLRPR-LJQANCHMSA-N 1 0 409.505 3.799 20 30 HHEDRO CCCc1c(NC(=O)NCCC[NH+]2CCC(C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439666863 983491987 /nfs/dbraw/zinc/49/19/87/983491987.db2.gz QDQPYRLBLMQYHP-UHFFFAOYSA-N 1 0 408.550 3.940 20 30 HHEDRO CCCc1c(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439678360 983497704 /nfs/dbraw/zinc/49/77/04/983497704.db2.gz OALQWHPPJLMGIM-ZWKOTPCHSA-N 1 0 408.550 3.938 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000440252079 983698019 /nfs/dbraw/zinc/69/80/19/983698019.db2.gz DUJKNNCGMQHENM-VIZSFHNOSA-N 1 0 412.578 3.952 20 30 HHEDRO CC[NH+](CC)CCOc1cc(NC(=O)NCC2CCC(C#N)CC2)ccc1OC ZINC000440935329 983988130 /nfs/dbraw/zinc/98/81/30/983988130.db2.gz JLISDRBTHFQLDF-UHFFFAOYSA-N 1 0 402.539 3.867 20 30 HHEDRO N#CC1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000441012738 984022017 /nfs/dbraw/zinc/02/20/17/984022017.db2.gz RRNORHOLGPYFIH-RJYAGPCLSA-N 1 0 408.468 3.909 20 30 HHEDRO COc1cccc(CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]2CCCO2)c1 ZINC000441235281 984130636 /nfs/dbraw/zinc/13/06/36/984130636.db2.gz SBMUXXGBFOSEAQ-NRFANRHFSA-N 1 0 404.470 3.798 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441407016 984236154 /nfs/dbraw/zinc/23/61/54/984236154.db2.gz ZBOOSHALJMXFPZ-HFMPRLQTSA-N 1 0 408.590 3.887 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000441686192 984395109 /nfs/dbraw/zinc/39/51/09/984395109.db2.gz IYGKZEXMTCEDOY-LLGFUMIMSA-N 1 0 424.570 3.827 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)c(C)c2ncccc12)C(C)C ZINC000441760477 984435529 /nfs/dbraw/zinc/43/55/29/984435529.db2.gz LMDKHWWYXQNNCH-NRFANRHFSA-N 1 0 408.546 3.605 20 30 HHEDRO N#Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OC(F)(F)F ZINC000442209689 984728990 /nfs/dbraw/zinc/72/89/90/984728990.db2.gz SMXUOIHGFKJUBK-DYVFJYSZSA-N 1 0 408.424 3.937 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccccc2Cl)CC1 ZINC000442300159 984798630 /nfs/dbraw/zinc/79/86/30/984798630.db2.gz SFIHZOOMSQTDEG-UHFFFAOYSA-N 1 0 413.905 3.837 20 30 HHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000442326064 984828263 /nfs/dbraw/zinc/82/82/63/984828263.db2.gz NPWNLDCMRFCZGI-UHFFFAOYSA-N 1 0 422.504 3.717 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCO2)C[C@@H]1C ZINC000461850002 984862951 /nfs/dbraw/zinc/86/29/51/984862951.db2.gz KCQMAXZHCYPWJJ-YUXAGFNASA-N 1 0 422.577 3.695 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000462177818 985157246 /nfs/dbraw/zinc/15/72/46/985157246.db2.gz BBVOCPRBAAGFKI-WZONZLPQSA-N 1 0 415.493 3.981 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)ccc1C#N ZINC000442853691 985247225 /nfs/dbraw/zinc/24/72/25/985247225.db2.gz VDBWRUCZWVKQCF-HXUWFJFHSA-N 1 0 415.497 3.922 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1cccs1 ZINC000462304675 985290905 /nfs/dbraw/zinc/29/09/05/985290905.db2.gz XTNDNEQUYSSVBK-UGSOOPFHSA-N 1 0 409.964 3.635 20 30 HHEDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000462422403 985395035 /nfs/dbraw/zinc/39/50/35/985395035.db2.gz NQXBSMMZFSWVRV-NRFANRHFSA-N 1 0 408.502 3.626 20 30 HHEDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000443379923 985539977 /nfs/dbraw/zinc/53/99/77/985539977.db2.gz ZLQCPAZPYUTYKQ-KXBFYZLASA-N 1 0 403.935 3.543 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000443465501 985639732 /nfs/dbraw/zinc/63/97/32/985639732.db2.gz HTMYKRRDVVQKFZ-NRFANRHFSA-N 1 0 417.475 3.688 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)c(C#N)n2)cc1 ZINC000443509122 985680514 /nfs/dbraw/zinc/68/05/14/985680514.db2.gz JXXIYDKAARLTGZ-UHFFFAOYSA-N 1 0 406.408 3.836 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2ccc(C(F)(F)F)c(C#N)n2)C[C@@H](C)O1 ZINC000443511423 985682655 /nfs/dbraw/zinc/68/26/55/985682655.db2.gz SPSXZWRHRSLZKW-HUUCEWRRSA-N 1 0 404.436 4.193 20 30 HHEDRO Cn1cc(Br)cc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000468105380 985765921 /nfs/dbraw/zinc/76/59/21/985765921.db2.gz YJIVSCOXKNOZDV-UHFFFAOYSA-N 1 0 421.364 3.670 20 30 HHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443675356 985883519 /nfs/dbraw/zinc/88/35/19/985883519.db2.gz QXRKDYWVSYFODA-OALUTQOASA-N 1 0 406.530 3.921 20 30 HHEDRO C[C@H]1C[NH+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000443681272 985893043 /nfs/dbraw/zinc/89/30/43/985893043.db2.gz LYDMMNWDVYRRQC-PMACEKPBSA-N 1 0 421.541 3.756 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+]2CCCC2)cc1 ZINC000468247326 985944900 /nfs/dbraw/zinc/94/49/00/985944900.db2.gz PIWUSDJOGVFEOZ-JOCHJYFZSA-N 1 0 416.481 3.789 20 30 HHEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1F ZINC000468277599 985977488 /nfs/dbraw/zinc/97/74/88/985977488.db2.gz FWFBSNXMNIWKRO-CQSZACIVSA-N 1 0 417.282 3.706 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000463024038 985983170 /nfs/dbraw/zinc/98/31/70/985983170.db2.gz WCEQNFLFEWNABY-CYFREDJKSA-N 1 0 418.541 3.632 20 30 HHEDRO Cn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000463045731 986005456 /nfs/dbraw/zinc/00/54/56/986005456.db2.gz XKRUXXQGCDSEMX-VWLOTQADSA-N 1 0 400.526 3.776 20 30 HHEDRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1C#N ZINC000443910227 986109370 /nfs/dbraw/zinc/10/93/70/986109370.db2.gz URAXZGFBDZICGE-HSZRJFAPSA-N 1 0 409.555 3.544 20 30 HHEDRO COc1cccc([C@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)[NH+](C)C)c1 ZINC000443916533 986117857 /nfs/dbraw/zinc/11/78/57/986117857.db2.gz MVDJTTJELPZTSQ-QHCPKHFHSA-N 1 0 404.514 3.986 20 30 HHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000463214344 986186158 /nfs/dbraw/zinc/18/61/58/986186158.db2.gz PKUFGKRJOVQGSO-NJYVYQBISA-N 1 0 403.954 3.992 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000463217738 986189089 /nfs/dbraw/zinc/18/90/89/986189089.db2.gz GEHQNPIVSFHNKG-CIAFKFPVSA-N 1 0 403.563 3.569 20 30 HHEDRO Cc1cc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCC(C)CC2)ccc1C#N ZINC000443990108 986191556 /nfs/dbraw/zinc/19/15/56/986191556.db2.gz QHOKAEXSFUFODP-UHFFFAOYSA-N 1 0 411.571 3.718 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCCOc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000463247803 986216578 /nfs/dbraw/zinc/21/65/78/986216578.db2.gz PKXHTGWLEDHNKV-UHFFFAOYSA-N 1 0 418.463 3.995 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000463287559 986254360 /nfs/dbraw/zinc/25/43/60/986254360.db2.gz MXBIZXIHIUIPFS-UHFFFAOYSA-N 1 0 418.463 3.691 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](C[NH+]4CCCCC4)C3)sc2C1 ZINC000444196492 986374043 /nfs/dbraw/zinc/37/40/43/986374043.db2.gz QBMWPMMSZOVNER-MSOLQXFVSA-N 1 0 414.619 3.881 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463429891 986401353 /nfs/dbraw/zinc/40/13/53/986401353.db2.gz LOPHOSPGLLSRIH-BWKNWUBXSA-N 1 0 405.542 3.639 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463440118 986417425 /nfs/dbraw/zinc/41/74/25/986417425.db2.gz MXYSGXRGIINRRD-NJDJKUROSA-N 1 0 411.590 3.623 20 30 HHEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444244121 986436932 /nfs/dbraw/zinc/43/69/32/986436932.db2.gz PJKLKQBWDYJFIV-QGZVFWFLSA-N 1 0 418.459 3.745 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000468791024 986501871 /nfs/dbraw/zinc/50/18/71/986501871.db2.gz BYAJXXUOQIEBEG-KRWDZBQOSA-N 1 0 420.488 3.904 20 30 HHEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cccc21 ZINC000468894840 986601773 /nfs/dbraw/zinc/60/17/73/986601773.db2.gz GRMJZPYHSYVLAG-NRFANRHFSA-N 1 0 420.513 3.737 20 30 HHEDRO CCOC(=O)[C@](C)(C[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000468923669 986629675 /nfs/dbraw/zinc/62/96/75/986629675.db2.gz JHSCAIVTYDRAIB-OYHNWAKOSA-N 1 0 413.905 3.649 20 30 HHEDRO C=CCc1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc(OC)c1OC ZINC000444460624 986642994 /nfs/dbraw/zinc/64/29/94/986642994.db2.gz LAOJKSUNJXSHHT-UHFFFAOYSA-N 1 0 410.514 3.641 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444555920 986747849 /nfs/dbraw/zinc/74/78/49/986747849.db2.gz UHZZWXNZVKCIQN-GOSISDBHSA-N 1 0 423.582 3.768 20 30 HHEDRO CCc1nc2ccc(Cl)cn2c1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463815053 986807334 /nfs/dbraw/zinc/80/73/34/986807334.db2.gz PLGQWDTZNJOQOL-UHFFFAOYSA-N 1 0 409.921 3.626 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1)C(=O)NC1(C#N)CCC1 ZINC000469105139 986822100 /nfs/dbraw/zinc/82/21/00/986822100.db2.gz UQHFJKJVMKIZBK-LJQANCHMSA-N 1 0 413.525 3.639 20 30 HHEDRO N#CC(CC[N@@H+]1CCC[C@H](CN2CCOCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444648355 986832864 /nfs/dbraw/zinc/83/28/64/986832864.db2.gz JIIXPRKXXACOMX-QHCPKHFHSA-N 1 0 403.570 3.931 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000469164742 986889324 /nfs/dbraw/zinc/88/93/24/986889324.db2.gz KOMMTBWUNAWJDR-QHCPKHFHSA-N 1 0 404.558 3.726 20 30 HHEDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000444774261 986932227 /nfs/dbraw/zinc/93/22/27/986932227.db2.gz IDAPJYMUVFVPNZ-UHFFFAOYSA-N 1 0 402.970 3.618 20 30 HHEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000444841138 986999119 /nfs/dbraw/zinc/99/91/19/986999119.db2.gz VISHEMDMEMEXRU-KRWDZBQOSA-N 1 0 408.502 3.659 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1C#N ZINC000444919161 987066593 /nfs/dbraw/zinc/06/65/93/987066593.db2.gz CRIYWWJMNRNBRZ-QFIPXVFZSA-N 1 0 422.529 3.624 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469490777 987171112 /nfs/dbraw/zinc/17/11/12/987171112.db2.gz XOQJNAHFLYJYAI-KSSFIOAISA-N 1 0 405.420 3.763 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469933084 987558702 /nfs/dbraw/zinc/55/87/02/987558702.db2.gz PGXZSPQOAJHBRX-NRFANRHFSA-N 1 0 403.526 3.942 20 30 HHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC000463922747 988031869 /nfs/dbraw/zinc/03/18/69/988031869.db2.gz RFPBMIRSHWZYDB-XMSQKQJNSA-N 1 0 409.530 3.586 20 30 HHEDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000470156570 988067188 /nfs/dbraw/zinc/06/71/88/988067188.db2.gz POMZFINDQBRUKX-DEOSSOPVSA-N 1 0 402.498 3.569 20 30 HHEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000470211586 988136538 /nfs/dbraw/zinc/13/65/38/988136538.db2.gz JSVGYNLIISMHDT-JOCHJYFZSA-N 1 0 403.526 3.941 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)ccc1Cl ZINC000470215850 988142279 /nfs/dbraw/zinc/14/22/79/988142279.db2.gz YOAQPYZUWZZFTD-FQEVSTJZSA-N 1 0 402.970 3.845 20 30 HHEDRO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000470370102 988332475 /nfs/dbraw/zinc/33/24/75/988332475.db2.gz UUNSXCGMSQCHTB-UHFFFAOYSA-N 1 0 407.345 3.904 20 30 HHEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)n1 ZINC000470395850 988356280 /nfs/dbraw/zinc/35/62/80/988356280.db2.gz BJOANPVAPVWMEL-UHFFFAOYSA-N 1 0 408.437 3.892 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000470525652 988526517 /nfs/dbraw/zinc/52/65/17/988526517.db2.gz JQFJJDCLMZBGBB-BGYRXZFFSA-N 1 0 406.530 3.655 20 30 HHEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H]1C ZINC000470545346 988554202 /nfs/dbraw/zinc/55/42/02/988554202.db2.gz DJMKKAVZDMGZFL-YLJYHZDGSA-N 1 0 411.550 3.606 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464613326 988793128 /nfs/dbraw/zinc/79/31/28/988793128.db2.gz XUMSMNVHJJJVFA-AEFFLSMTSA-N 1 0 411.550 3.941 20 30 HHEDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000464773008 988998288 /nfs/dbraw/zinc/99/82/88/988998288.db2.gz KHVACMLIRCQUQD-MSOLQXFVSA-N 1 0 406.596 3.558 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C#N ZINC000470955150 989020021 /nfs/dbraw/zinc/02/00/21/989020021.db2.gz HQFDOCNACPBJEH-FQEVSTJZSA-N 1 0 411.594 3.694 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000470962176 989025850 /nfs/dbraw/zinc/02/58/50/989025850.db2.gz VLUHIQLEQLSPFI-DBXWQHBBSA-N 1 0 421.459 3.982 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC3(C2)CCOCC3)c1C#N ZINC000464810769 989044630 /nfs/dbraw/zinc/04/46/30/989044630.db2.gz LGMXFUUORUEHMK-UHFFFAOYSA-N 1 0 424.520 3.605 20 30 HHEDRO COc1ccc(NC(=O)CC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000470991753 989055715 /nfs/dbraw/zinc/05/57/15/989055715.db2.gz FLPNKGOHFZGPRQ-OAQYLSRUSA-N 1 0 412.921 3.560 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(OCC4CC4)CC3)sc2C1 ZINC000464822995 989060767 /nfs/dbraw/zinc/06/07/67/989060767.db2.gz OGCHHNPAMBAJES-HNNXBMFYSA-N 1 0 401.576 3.964 20 30 HHEDRO Cc1ccc([C@@H]2CC[N@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)c(C)c1 ZINC000471012620 989081410 /nfs/dbraw/zinc/08/14/10/989081410.db2.gz RJEISHRDROYLMO-IRLDBZIGSA-N 1 0 422.598 3.563 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464837781 989081701 /nfs/dbraw/zinc/08/17/01/989081701.db2.gz ULGPDDCSYSGELX-FGZHOGPDSA-N 1 0 404.558 3.918 20 30 HHEDRO CCN(CCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)CC(F)(F)F ZINC000471026611 989098434 /nfs/dbraw/zinc/09/84/34/989098434.db2.gz ZQQTUVNMSCKBPU-SFHVURJKSA-N 1 0 402.892 3.797 20 30 HHEDRO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC000464853935 989106346 /nfs/dbraw/zinc/10/63/46/989106346.db2.gz FYVYFQRIAQDJRA-INIZCTEOSA-N 1 0 419.451 3.737 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000464986820 989292515 /nfs/dbraw/zinc/29/25/15/989292515.db2.gz OQLDFNLJYHUTTE-NRFANRHFSA-N 1 0 419.525 3.843 20 30 HHEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1O ZINC000471168723 989294173 /nfs/dbraw/zinc/29/41/73/989294173.db2.gz KQAQMIAHAPIJMW-AWEZNQCLSA-N 1 0 413.543 3.919 20 30 HHEDRO C=CCSc1ccccc1NC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471176058 989303781 /nfs/dbraw/zinc/30/37/81/989303781.db2.gz DVWOBPITLJXETA-UHFFFAOYSA-N 1 0 424.614 3.937 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465201014 989545789 /nfs/dbraw/zinc/54/57/89/989545789.db2.gz SGNSYLWVFCBXIF-MRXNPFEDSA-N 1 0 422.529 3.568 20 30 HHEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471388431 989567066 /nfs/dbraw/zinc/56/70/66/989567066.db2.gz PETWLINZFMTQGD-AOHZBQACSA-N 1 0 403.526 3.552 20 30 HHEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000471489276 989685775 /nfs/dbraw/zinc/68/57/75/989685775.db2.gz SHPGCVVFXNUBFN-LJQANCHMSA-N 1 0 416.529 3.578 20 30 HHEDRO Cn1cc(C#N)cc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000471591429 989794876 /nfs/dbraw/zinc/79/48/76/989794876.db2.gz VNDYKAXQVHHMGE-UHFFFAOYSA-N 1 0 405.329 3.942 20 30 HHEDRO CC[NH+]1CCN(c2cccc(NC(=O)CCCCOc3cccc(C#N)c3)c2)CC1 ZINC000471660896 989863909 /nfs/dbraw/zinc/86/39/09/989863909.db2.gz YAXUVKYXHKLJIX-UHFFFAOYSA-N 1 0 406.530 3.888 20 30 HHEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000465559072 989924348 /nfs/dbraw/zinc/92/43/48/989924348.db2.gz WWUVQCKUMRFEQM-DHIUTWEWSA-N 1 0 403.530 3.527 20 30 HHEDRO C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000465574008 989942059 /nfs/dbraw/zinc/94/20/59/989942059.db2.gz OTOXXAARMZSPED-PKTZIBPZSA-N 1 0 406.530 3.608 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCOc3ccc(C#N)cc3)cc2)C1 ZINC000465583015 989955618 /nfs/dbraw/zinc/95/56/18/989955618.db2.gz UDBNSDAKTWYJEJ-LJQANCHMSA-N 1 0 406.530 3.668 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471851793 990025487 /nfs/dbraw/zinc/02/54/87/990025487.db2.gz RVTPPJYQPVDNBX-UHFFFAOYSA-N 1 0 411.468 3.856 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472017867 990186991 /nfs/dbraw/zinc/18/69/91/990186991.db2.gz NISXKQUATBNMJC-DEOSSOPVSA-N 1 0 400.526 3.611 20 30 HHEDRO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)Cc2ccccc2C1 ZINC000466022140 991189903 /nfs/dbraw/zinc/18/99/03/991189903.db2.gz ZVOVTWVSLSYDPJ-PKTZIBPZSA-N 1 0 402.542 3.567 20 30 HHEDRO COc1ccc([C@@H](C)CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000466042567 991212490 /nfs/dbraw/zinc/21/24/90/991212490.db2.gz XWVUTAMFAPYCNJ-FQEVSTJZSA-N 1 0 420.557 3.978 20 30 HHEDRO Cc1csc([C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)n1 ZINC000466104405 991282878 /nfs/dbraw/zinc/28/28/78/991282878.db2.gz ZAONWIGESDAQFB-FQEVSTJZSA-N 1 0 409.559 3.692 20 30 HHEDRO Cc1cnc([C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)s1 ZINC000466113369 991290960 /nfs/dbraw/zinc/29/09/60/991290960.db2.gz BSVXCPUIDZODRP-HXUWFJFHSA-N 1 0 409.559 3.692 20 30 HHEDRO C=CCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)cc1OC ZINC000466538792 991843636 /nfs/dbraw/zinc/84/36/36/991843636.db2.gz FBFMUDGPEVHZQN-UHFFFAOYSA-N 1 0 411.502 3.711 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000466594326 991910925 /nfs/dbraw/zinc/91/09/25/991910925.db2.gz ZRMPZDINAUQBQS-UHFFFAOYSA-N 1 0 417.460 3.638 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ncccc1OCCCC#N ZINC000466596656 991912607 /nfs/dbraw/zinc/91/26/07/991912607.db2.gz DXBMUSRDZZTEPX-UHFFFAOYSA-N 1 0 417.460 3.638 20 30 HHEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ncccc1OCCCC#N ZINC000466601225 991917321 /nfs/dbraw/zinc/91/73/21/991917321.db2.gz ZIANDRHZOZXUJO-FQEVSTJZSA-N 1 0 422.533 3.678 20 30 HHEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000466694767 992008719 /nfs/dbraw/zinc/00/87/19/992008719.db2.gz LPSBGPPTHSQCMG-IBGZPJMESA-N 1 0 416.529 3.578 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1cccc(C#N)c1 ZINC000466810078 992118549 /nfs/dbraw/zinc/11/85/49/992118549.db2.gz VNPWQHWFUKGYME-UHFFFAOYSA-N 1 0 418.463 3.893 20 30 HHEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467140462 992456557 /nfs/dbraw/zinc/45/65/57/992456557.db2.gz RMMYQTZOBPARDJ-QAPCUYQASA-N 1 0 419.497 3.683 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 ZINC000467283926 992607145 /nfs/dbraw/zinc/60/71/45/992607145.db2.gz ZAMUNXSCEZEAIZ-UHFFFAOYSA-N 1 0 406.921 3.500 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000472303153 993316067 /nfs/dbraw/zinc/31/60/67/993316067.db2.gz XAYSXAGYUBOTTG-QFIPXVFZSA-N 1 0 418.541 3.633 20 30 HHEDRO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000472355322 993355490 /nfs/dbraw/zinc/35/54/90/993355490.db2.gz WZXWJDVIULMSMO-GVAUOCQISA-N 1 0 412.537 3.754 20 30 HHEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000472498209 993498995 /nfs/dbraw/zinc/49/89/95/993498995.db2.gz KOSKJDXHWIXCEU-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO N#CC(CC[NH+]1CCC(c2ccnn2CCO)CC1)(c1ccccc1)c1ccccc1 ZINC000472571732 993541480 /nfs/dbraw/zinc/54/14/80/993541480.db2.gz VXKILPQOTRBXHS-UHFFFAOYSA-N 1 0 414.553 3.955 20 30 HHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000480748187 993614892 /nfs/dbraw/zinc/61/48/92/993614892.db2.gz WFUGYHNMWKXQNZ-LPHOPBHVSA-N 1 0 401.919 3.517 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472823866 993758969 /nfs/dbraw/zinc/75/89/69/993758969.db2.gz BMLLZPUWGSAREW-OAQYLSRUSA-N 1 0 403.526 3.709 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000472873422 993799619 /nfs/dbraw/zinc/79/96/19/993799619.db2.gz WOCOZISQLUHCOO-UHFFFAOYSA-N 1 0 404.558 3.626 20 30 HHEDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000472893686 993820104 /nfs/dbraw/zinc/82/01/04/993820104.db2.gz CHFFBRKUNMDNTK-VQTJNVASSA-N 1 0 419.573 3.611 20 30 HHEDRO C=C(C)[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481228715 994059838 /nfs/dbraw/zinc/05/98/38/994059838.db2.gz HJAMPRWBUZZYTO-LJQANCHMSA-N 1 0 402.445 3.564 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1Cl ZINC000481237816 994067068 /nfs/dbraw/zinc/06/70/68/994067068.db2.gz NEXYRYDVVWWUSO-UHFFFAOYSA-N 1 0 405.889 3.784 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000481286386 994102232 /nfs/dbraw/zinc/10/22/32/994102232.db2.gz MTFNYDFFPXOWMB-UHFFFAOYSA-N 1 0 405.542 3.883 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000473302664 994160631 /nfs/dbraw/zinc/16/06/31/994160631.db2.gz FCWKNXZWYBPRFO-JOCHJYFZSA-N 1 0 421.541 3.703 20 30 HHEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)o1 ZINC000473313407 994173778 /nfs/dbraw/zinc/17/37/78/994173778.db2.gz FKRNURHZONMKOB-UHFFFAOYSA-N 1 0 421.545 3.942 20 30 HHEDRO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000473399267 994254589 /nfs/dbraw/zinc/25/45/89/994254589.db2.gz OZUVQUJTXUKPQG-QHCPKHFHSA-N 1 0 416.525 3.674 20 30 HHEDRO N#Cc1ccc(C2(C(=O)Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)CC2)cc1 ZINC000473647331 994531798 /nfs/dbraw/zinc/53/17/98/994531798.db2.gz HBFLWHAQOCSASR-UHFFFAOYSA-N 1 0 400.526 3.761 20 30 HHEDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000481681527 994542312 /nfs/dbraw/zinc/54/23/12/994542312.db2.gz DWCSXIUUIMMIAD-OAQYLSRUSA-N 1 0 405.564 3.785 20 30 HHEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)c1 ZINC000481736354 994592978 /nfs/dbraw/zinc/59/29/78/994592978.db2.gz NNHXMOLNVGUUEL-FQEVSTJZSA-N 1 0 416.294 3.817 20 30 HHEDRO COc1c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)oc2ccccc21 ZINC000473722182 994616213 /nfs/dbraw/zinc/61/62/13/994616213.db2.gz DRLIIIYYNVQAIR-UHFFFAOYSA-N 1 0 406.486 3.586 20 30 HHEDRO COc1c(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)oc2ccccc21 ZINC000473725984 994620396 /nfs/dbraw/zinc/62/03/96/994620396.db2.gz RMRRVSZLGQQYBC-UHFFFAOYSA-N 1 0 418.497 3.731 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000481926246 994799179 /nfs/dbraw/zinc/79/91/79/994799179.db2.gz XDBBYSHVNVHTIX-XMMPIXPASA-N 1 0 405.542 3.827 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000482011301 994917720 /nfs/dbraw/zinc/91/77/20/994917720.db2.gz AKUHPBKLNNJXQY-UHFFFAOYSA-N 1 0 414.468 3.843 20 30 HHEDRO C[N@H+](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)Cc1ccc(F)cc1 ZINC000482028486 994944167 /nfs/dbraw/zinc/94/41/67/994944167.db2.gz VZSBTROKUOSIFQ-UHFFFAOYSA-N 1 0 407.445 3.731 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC000474109967 995087152 /nfs/dbraw/zinc/08/71/52/995087152.db2.gz KIHDXSUYIYXVNU-UHFFFAOYSA-N 1 0 406.921 3.500 20 30 HHEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)CC(C)(C)O ZINC000474172340 995160241 /nfs/dbraw/zinc/16/02/41/995160241.db2.gz GCRFEGVFEVMMJX-UHFFFAOYSA-N 1 0 400.498 3.526 20 30 HHEDRO N#Cc1ccc(CCC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482454089 995454398 /nfs/dbraw/zinc/45/43/98/995454398.db2.gz WFVWESMPQXGQKM-UHFFFAOYSA-N 1 0 405.542 3.678 20 30 HHEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1Oc1ccccc1 ZINC000482495063 995505219 /nfs/dbraw/zinc/50/52/19/995505219.db2.gz HARKSMOJSPGCST-SDHSZQHLSA-N 1 0 405.542 3.737 20 30 HHEDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482495151 995506022 /nfs/dbraw/zinc/50/60/22/995506022.db2.gz MTBYOFSOTIBMTK-GMAHTHKFSA-N 1 0 408.498 3.680 20 30 HHEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000482528594 995537560 /nfs/dbraw/zinc/53/75/60/995537560.db2.gz GREYZTBEYITVIE-QZTJIDSGSA-N 1 0 418.541 3.600 20 30 HHEDRO C=CC[NH+]1CCC(N[C@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000482632325 995626623 /nfs/dbraw/zinc/62/66/23/995626623.db2.gz FNXFEWYFVJBIMB-CQSZACIVSA-N 1 0 404.356 3.639 20 30 HHEDRO C=C(C)C[NH+]1CCC(NCc2c(F)ccc(I)c2F)CC1 ZINC000474707307 995647455 /nfs/dbraw/zinc/64/74/55/995647455.db2.gz JKANGIOLQDIUCO-UHFFFAOYSA-N 1 0 406.258 3.700 20 30 HHEDRO C[C@H]1CCc2ccccc2N1CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000482654128 995647762 /nfs/dbraw/zinc/64/77/62/995647762.db2.gz CGQXQYBEHTXAKC-NRFANRHFSA-N 1 0 416.569 3.892 20 30 HHEDRO N#Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)ccc1Oc1ccccc1 ZINC000482658712 995652099 /nfs/dbraw/zinc/65/20/99/995652099.db2.gz BDVZOCYWRRDXJD-UHFFFAOYSA-N 1 0 420.513 3.671 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3-n3cncn3)C2)c(F)c1 ZINC000474713535 995653028 /nfs/dbraw/zinc/65/30/28/995653028.db2.gz XVKFBXBEEWNSPZ-GOSISDBHSA-N 1 0 410.884 3.690 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482695623 995686841 /nfs/dbraw/zinc/68/68/41/995686841.db2.gz SZPVUXVUMBGGBA-XMSQKQJNSA-N 1 0 402.441 3.600 20 30 HHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@H](CC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000474772759 995701296 /nfs/dbraw/zinc/70/12/96/995701296.db2.gz GDRTVNOOHQCRAW-ROKPMTFOSA-N 1 0 405.542 4.000 20 30 HHEDRO C=C(C)COCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474805424 995717540 /nfs/dbraw/zinc/71/75/40/995717540.db2.gz TYBVFVCHEUZHTO-PKOBYXMFSA-N 1 0 413.484 3.980 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000474877387 995772162 /nfs/dbraw/zinc/77/21/62/995772162.db2.gz HOCASIZBWULECA-UHFFFAOYSA-N 1 0 421.541 3.756 20 30 HHEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000474940914 995814797 /nfs/dbraw/zinc/81/47/97/995814797.db2.gz JBHNIVIKSAKEEQ-WWMYMODYSA-N 1 0 407.514 3.853 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCc4ccc(F)cc43)CC2)cc1 ZINC000475000593 995857459 /nfs/dbraw/zinc/85/74/59/995857459.db2.gz AGDPCYPGRNAZRX-QHCPKHFHSA-N 1 0 406.505 3.992 20 30 HHEDRO CCN(C(=O)Nc1cc(C#N)ccc1OCCOC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475102511 995923423 /nfs/dbraw/zinc/92/34/23/995923423.db2.gz UEQICOVONJLARS-OAQYLSRUSA-N 1 0 422.529 3.712 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCN1C1CC[NH+](C)CC1 ZINC000483024250 995926224 /nfs/dbraw/zinc/92/62/24/995926224.db2.gz PKBHJMLQMIJIJX-LJQANCHMSA-N 1 0 418.541 3.591 20 30 HHEDRO CCO[C@H](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000475297129 996052852 /nfs/dbraw/zinc/05/28/52/996052852.db2.gz LLUHHWPMTWBISJ-HSZRJFAPSA-N 1 0 412.578 3.761 20 30 HHEDRO N#Cc1cc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)ccn1 ZINC000475317344 996066345 /nfs/dbraw/zinc/06/63/45/996066345.db2.gz ZRAQDOBBIAYENC-UHFFFAOYSA-N 1 0 403.313 3.998 20 30 HHEDRO C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000475444226 996143977 /nfs/dbraw/zinc/14/39/77/996143977.db2.gz HPDDYPKUWNGUMU-QUCCMNQESA-N 1 0 408.521 3.842 20 30 HHEDRO CS[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000483406033 996156921 /nfs/dbraw/zinc/15/69/21/996156921.db2.gz QMQDKWNFCIEHAR-YADHBBJMSA-N 1 0 406.555 3.954 20 30 HHEDRO CC[NH+](CC)CCN(C(=O)c1ccnc(C#N)c1)c1cccc(Br)c1 ZINC000475472578 996163022 /nfs/dbraw/zinc/16/30/22/996163022.db2.gz VCASAKKVWXPHGU-UHFFFAOYSA-N 1 0 401.308 3.704 20 30 HHEDRO CC1CC[NH+](Cc2ccccc2CNS(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000475542073 996210663 /nfs/dbraw/zinc/21/06/63/996210663.db2.gz JDSCKOUCJOYOQQ-UHFFFAOYSA-N 1 0 403.592 3.812 20 30 HHEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccc(I)cc2)C1 ZINC000475632214 996264357 /nfs/dbraw/zinc/26/43/57/996264357.db2.gz DVBHDVJYIMYXJB-NZSAHSFTSA-N 1 0 423.342 3.928 20 30 HHEDRO N#CCCN(C(=O)C[N@H+]1CCC[C@]1(CO)Cc1ccccc1)c1cccc(Cl)c1 ZINC000475671576 996290631 /nfs/dbraw/zinc/29/06/31/996290631.db2.gz JOSXRNFAMDTHSN-HSZRJFAPSA-N 1 0 411.933 3.656 20 30 HHEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475784944 996369529 /nfs/dbraw/zinc/36/95/29/996369529.db2.gz BAGANRVTMFTVGD-HNNXBMFYSA-N 1 0 403.935 3.716 20 30 HHEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000483835660 996417682 /nfs/dbraw/zinc/41/76/82/996417682.db2.gz CPYFAGPJMCNSOB-UHFFFAOYSA-N 1 0 410.518 3.950 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)c1C#N ZINC000484313381 996696249 /nfs/dbraw/zinc/69/62/49/996696249.db2.gz MWEMHJHFFDIZMW-NRFANRHFSA-N 1 0 418.497 3.929 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1cccs1 ZINC000476330179 996760822 /nfs/dbraw/zinc/76/08/22/996760822.db2.gz YHGISAKDJGXJFN-KBXCAEBGSA-N 1 0 409.964 3.635 20 30 HHEDRO CCCSc1nsc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000476491046 996975318 /nfs/dbraw/zinc/97/53/18/996975318.db2.gz OYGDDPGJJBHIBR-UHFFFAOYSA-N 1 0 404.565 3.508 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CSc1ccc(C#N)cc1)c1ccccc1O2 ZINC000484721375 997061713 /nfs/dbraw/zinc/06/17/13/997061713.db2.gz QVPVCLVVQVCARE-HXUWFJFHSA-N 1 0 407.539 3.755 20 30 HHEDRO CC[NH+]1CCN(c2ccc(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c(C)c2)CC1 ZINC000484986157 997348579 /nfs/dbraw/zinc/34/85/79/997348579.db2.gz HGDMOQINJZRGJT-XMMPIXPASA-N 1 0 417.557 3.616 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@]4(CCCOC4)C3)sc2C1 ZINC000477043556 997679339 /nfs/dbraw/zinc/67/93/39/997679339.db2.gz NFGYSDQMONRCQU-OPAMFIHVSA-N 1 0 401.576 3.966 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)C2=O)cc1 ZINC000477064477 997709211 /nfs/dbraw/zinc/70/92/11/997709211.db2.gz KMOVDVFVQRSHPP-AZGAKELHSA-N 1 0 414.553 3.652 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnn(-c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC000485350458 997771335 /nfs/dbraw/zinc/77/13/35/997771335.db2.gz SIZYTZJZVPKWHU-OAQYLSRUSA-N 1 0 405.889 3.683 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(F)cc1Br ZINC000485470236 997917378 /nfs/dbraw/zinc/91/73/78/997917378.db2.gz WVLPIZNROKVFEW-UHFFFAOYSA-N 1 0 418.310 3.593 20 30 HHEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000485806354 998274667 /nfs/dbraw/zinc/27/46/67/998274667.db2.gz XDCVSIVVXFOWCN-XHDPSFHLSA-N 1 0 408.449 3.761 20 30 HHEDRO C=C(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000477735708 998472390 /nfs/dbraw/zinc/47/23/90/998472390.db2.gz BPXPKTUHUUQMMO-OAQYLSRUSA-N 1 0 420.548 3.832 20 30 HHEDRO C=C(C)[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000477745262 998487765 /nfs/dbraw/zinc/48/77/65/998487765.db2.gz QBAQWFRVEZXGHE-HKBOAZHASA-N 1 0 407.505 3.649 20 30 HHEDRO CCN(C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1)CC(F)(F)F ZINC000477761117 998509265 /nfs/dbraw/zinc/50/92/65/998509265.db2.gz NNILYRBXLVOSSX-ZIAGYGMSSA-N 1 0 416.875 3.745 20 30 HHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000477772297 998521365 /nfs/dbraw/zinc/52/13/65/998521365.db2.gz KUPIMTUKIFPXSY-LJQANCHMSA-N 1 0 410.493 4.000 20 30 HHEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000477920639 998658185 /nfs/dbraw/zinc/65/81/85/998658185.db2.gz MPPVXFMCSVZYRC-HOCLYGCPSA-N 1 0 401.370 3.547 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000486241880 998670751 /nfs/dbraw/zinc/67/07/51/998670751.db2.gz MTOPVLSQYUGXFC-SFHVURJKSA-N 1 0 400.592 3.827 20 30 HHEDRO C=CCOc1ccccc1CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000486263416 998683295 /nfs/dbraw/zinc/68/32/95/998683295.db2.gz ZVOOHUDWHAVOMS-RXVVDRJESA-N 1 0 422.525 3.754 20 30 HHEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C12CCC2 ZINC000477990098 998702549 /nfs/dbraw/zinc/70/25/49/998702549.db2.gz PQQFHOFJOZBFRD-SFTDATJTSA-N 1 0 424.545 3.836 20 30 HHEDRO C=CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c1 ZINC000486455740 998778268 /nfs/dbraw/zinc/77/82/68/998778268.db2.gz BUBNYXAUDNVPTR-WZONZLPQSA-N 1 0 403.486 3.645 20 30 HHEDRO CC(C)([C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000486561337 998826655 /nfs/dbraw/zinc/82/66/55/998826655.db2.gz DEDWXLZNLCHZPZ-JOCHJYFZSA-N 1 0 413.468 3.947 20 30 HHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(O[C@H]2CCOC2)c1 ZINC000478272101 998856454 /nfs/dbraw/zinc/85/64/54/998856454.db2.gz FNRAWCJQAUSDEC-QFIPXVFZSA-N 1 0 402.498 3.725 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+]CC(=O)Nc2cccc(Br)c2)c1 ZINC000478307997 998877665 /nfs/dbraw/zinc/87/76/65/998877665.db2.gz VETHOABGXOGYKI-UHFFFAOYSA-N 1 0 402.292 3.860 20 30 HHEDRO Cn1cc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000478356547 998912917 /nfs/dbraw/zinc/91/29/17/998912917.db2.gz OFBJRPDABWVLIF-UHFFFAOYSA-N 1 0 413.525 3.601 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000486969433 999022222 /nfs/dbraw/zinc/02/22/22/999022222.db2.gz HJMIXMYVZQBDQI-FCHUYYIVSA-N 1 0 420.548 3.828 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C#N)c(C)c1C ZINC000487062797 999052083 /nfs/dbraw/zinc/05/20/83/999052083.db2.gz QOLPXIQZEKNOOU-NRFANRHFSA-N 1 0 422.598 3.651 20 30 HHEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000487383735 999155062 /nfs/dbraw/zinc/15/50/62/999155062.db2.gz ZRJHBDHHWIHQHZ-UHFFFAOYSA-N 1 0 415.534 3.570 20 30 HHEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000479040157 999261753 /nfs/dbraw/zinc/26/17/53/999261753.db2.gz BJUAGLADAVUMBN-HXUWFJFHSA-N 1 0 405.498 3.677 20 30 HHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487896252 999308221 /nfs/dbraw/zinc/30/82/21/999308221.db2.gz LFOWSTQTQLIVCE-QGZVFWFLSA-N 1 0 401.308 3.615 20 30 HHEDRO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCC[C@H]1C ZINC000487991882 999339740 /nfs/dbraw/zinc/33/97/40/999339740.db2.gz UFDJJQRZGMPJQR-IIBYNOLFSA-N 1 0 412.534 3.693 20 30 HHEDRO N#CC1(NC(=O)Cc2cccc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479252952 999348042 /nfs/dbraw/zinc/34/80/42/999348042.db2.gz WUENDGPLAJNQQC-UHFFFAOYSA-N 1 0 412.331 3.666 20 30 HHEDRO N#CC1(NC(=O)c2cccc([C@@H]3CCCOC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479282803 999363899 /nfs/dbraw/zinc/36/38/99/999363899.db2.gz QPQQBPRENNEHTC-HSZRJFAPSA-N 1 0 403.526 3.869 20 30 HHEDRO N#CC1(NC(=O)Cc2ccccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000479288596 999366919 /nfs/dbraw/zinc/36/69/19/999366919.db2.gz QVKMSMAWGDKLDJ-UHFFFAOYSA-N 1 0 412.331 3.666 20 30 HHEDRO COc1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc2ccccc21 ZINC000479305714 999376210 /nfs/dbraw/zinc/37/62/10/999376210.db2.gz IIBSMXVFDYTRLT-UHFFFAOYSA-N 1 0 400.482 3.532 20 30 HHEDRO N#CC1(NC(=O)Cc2cccc(OC(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479343337 999395119 /nfs/dbraw/zinc/39/51/19/999395119.db2.gz MNXIUJRUTBJXLX-UHFFFAOYSA-N 1 0 417.431 3.802 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCSC[C@H](C)C2)c1C#N ZINC000488255779 999411931 /nfs/dbraw/zinc/41/19/31/999411931.db2.gz UCAXEOKPKAAXRY-OAHLLOKOSA-N 1 0 400.548 3.631 20 30 HHEDRO N#Cc1ccccc1Sc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000479583719 999490188 /nfs/dbraw/zinc/49/01/88/999490188.db2.gz FZHSRNIFMVXJSF-GOSISDBHSA-N 1 0 421.566 3.940 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)c(Br)c1 ZINC000488484335 999503354 /nfs/dbraw/zinc/50/33/54/999503354.db2.gz UOFAOCBJAFIKMY-DJJJIMSYSA-N 1 0 416.294 3.912 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000488497417 999508041 /nfs/dbraw/zinc/50/80/41/999508041.db2.gz ZKROOHPQFWTZAP-NNWRFLSQSA-N 1 0 418.497 3.568 20 30 HHEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488503735 999510064 /nfs/dbraw/zinc/51/00/64/999510064.db2.gz VCOJFBOHFTUNQI-FDDCHVKYSA-N 1 0 418.541 3.789 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488522532 999516888 /nfs/dbraw/zinc/51/68/88/999516888.db2.gz PBSVVKKELJWAOX-HYBUGGRVSA-N 1 0 420.557 3.627 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000488888852 999637617 /nfs/dbraw/zinc/63/76/17/999637617.db2.gz ICLAGAMWOYNBCK-UHFFFAOYSA-N 1 0 408.502 3.977 20 30 HHEDRO Cc1c(Br)cccc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000479916276 999648134 /nfs/dbraw/zinc/64/81/34/999648134.db2.gz SHCOUJNPOHUCQI-UHFFFAOYSA-N 1 0 414.347 3.762 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](Oc3ncccc3F)C1)CCC2 ZINC000489025799 999675771 /nfs/dbraw/zinc/67/57/71/999675771.db2.gz XJKHPHTYINHFCP-AWEZNQCLSA-N 1 0 414.506 3.515 20 30 HHEDRO N#Cc1c(C#N)c2c(nc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCCCC2 ZINC000480114844 999720820 /nfs/dbraw/zinc/72/08/20/999720820.db2.gz YTQWFRSMIUAYOW-HXUWFJFHSA-N 1 0 415.541 3.663 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000480455539 999802975 /nfs/dbraw/zinc/80/29/75/999802975.db2.gz MBPBMALYBKUSPS-JOCHJYFZSA-N 1 0 409.530 3.924 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000489948124 999868014 /nfs/dbraw/zinc/86/80/14/999868014.db2.gz ASNJYJFEBJWXDU-QFIPXVFZSA-N 1 0 408.571 3.662 20 30 HHEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)[C@H]2C1 ZINC000490396556 999950763 /nfs/dbraw/zinc/95/07/63/999950763.db2.gz DLOJWGQRNRHEBJ-OFNKIYASSA-N 1 0 404.514 3.890 20 30 HHEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000490621182 999985423 /nfs/dbraw/zinc/98/54/23/999985423.db2.gz HEBIQRCVSJUVFM-CYBMUJFWSA-N 1 0 404.565 3.554 20 30 HHEDRO Cc1ccccc1C(=O)NC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491135941 1000048876 /nfs/dbraw/zinc/04/88/76/1000048876.db2.gz LSCYVKUSPSAJOM-UHFFFAOYSA-N 1 0 413.525 3.662 20 30 HHEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 ZINC000491491424 1000079166 /nfs/dbraw/zinc/07/91/66/1000079166.db2.gz QVBGTGUHFMUXDI-UHFFFAOYSA-N 1 0 418.444 3.812 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC4(CC3)OCCc3ccsc34)C2=O)cc1 ZINC000492462641 1000127964 /nfs/dbraw/zinc/12/79/64/1000127964.db2.gz HCVKFOBDUHASJZ-FQEVSTJZSA-N 1 0 407.539 3.679 20 30 HHEDRO C=CCn1c(SCC[NH+]2CCC(C)CC2)nnc1[C@H]1COc2ccccc2O1 ZINC000492555608 1000132164 /nfs/dbraw/zinc/13/21/64/1000132164.db2.gz DKTJBMGDVRJOMW-LJQANCHMSA-N 1 0 400.548 3.801 20 30 HHEDRO COc1ccccc1COC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000492662085 1000137797 /nfs/dbraw/zinc/13/77/97/1000137797.db2.gz URTPOWRKVSGEEF-HSZRJFAPSA-N 1 0 419.525 3.743 20 30 HHEDRO COc1ccccc1COC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000492662086 1000137822 /nfs/dbraw/zinc/13/78/22/1000137822.db2.gz URTPOWRKVSGEEF-QHCPKHFHSA-N 1 0 419.525 3.743 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000493473666 1000175525 /nfs/dbraw/zinc/17/55/25/1000175525.db2.gz PYAICDBRGJYMDK-GMAHTHKFSA-N 1 0 422.573 3.953 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)CC1 ZINC000493836209 1000196662 /nfs/dbraw/zinc/19/66/62/1000196662.db2.gz OZCSBJCMAZUMBW-RBUKOAKNSA-N 1 0 412.361 3.633 20 30 HHEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000493874755 1000199839 /nfs/dbraw/zinc/19/98/39/1000199839.db2.gz PAICAHYZAMAPKZ-INIZCTEOSA-N 1 0 415.419 3.878 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000493915917 1000211897 /nfs/dbraw/zinc/21/18/97/1000211897.db2.gz GIPNXQJIKFTSBM-JTHBVZDNSA-N 1 0 413.468 3.948 20 30 HHEDRO C[C@@H]1[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000494019533 1000271200 /nfs/dbraw/zinc/27/12/00/1000271200.db2.gz USNXDYYTSRKLLY-XXBNENTESA-N 1 0 413.525 3.857 20 30 HHEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccc(F)cc2)c1 ZINC000494026909 1000274070 /nfs/dbraw/zinc/27/40/70/1000274070.db2.gz FIDUTXVFXADCNZ-HSZRJFAPSA-N 1 0 424.497 3.859 20 30 HHEDRO O=C(Nc1ccccc1C#Cc1ccccc1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000494079739 1000298499 /nfs/dbraw/zinc/29/84/99/1000298499.db2.gz OXUMYJLYKYAWLO-ZEQRLZLVSA-N 1 0 403.526 3.586 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000494239553 1000381046 /nfs/dbraw/zinc/38/10/46/1000381046.db2.gz YFAFPZKEJMTELI-RPWUZVMVSA-N 1 0 403.526 3.586 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000494454538 1000500940 /nfs/dbraw/zinc/50/09/40/1000500940.db2.gz LCYSWUAOXVZKEB-TXTKFYIRSA-N 1 0 417.933 3.937 20 30 HHEDRO C=CCCc1ccccc1NC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000505010563 1000504339 /nfs/dbraw/zinc/50/43/39/1000504339.db2.gz IPHPGALOWYADHY-UHFFFAOYSA-N 1 0 400.567 3.553 20 30 HHEDRO CCc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1CCC(C)C ZINC000494900300 1000720369 /nfs/dbraw/zinc/72/03/69/1000720369.db2.gz IVPDJOCUKBAXBR-UHFFFAOYSA-N 1 0 410.566 3.959 20 30 HHEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@@H]3CCC[C@@H]31)CCCC2 ZINC000494900625 1000720510 /nfs/dbraw/zinc/72/05/10/1000720510.db2.gz AYQRBEYJSPQVTG-WFXMLNOXSA-N 1 0 410.562 3.621 20 30 HHEDRO C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505634011 1000945816 /nfs/dbraw/zinc/94/58/16/1000945816.db2.gz QHNBXCKLDYRTRQ-DVECYGJZSA-N 1 0 406.530 3.521 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000505672862 1000968212 /nfs/dbraw/zinc/96/82/12/1000968212.db2.gz LMPNEDKYDOUTCJ-UHFFFAOYSA-N 1 0 406.530 3.514 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000505718122 1000991232 /nfs/dbraw/zinc/99/12/32/1000991232.db2.gz ANBIITOKSDODKB-GOSISDBHSA-N 1 0 420.513 3.779 20 30 HHEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4ccnn4C)C3)sc2C1 ZINC000505848809 1001059219 /nfs/dbraw/zinc/05/92/19/1001059219.db2.gz ZTYFLCASZGDHHS-CVEARBPZSA-N 1 0 411.575 3.686 20 30 HHEDRO C=CCc1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)cc(OC)c1OC ZINC000496244391 1001145473 /nfs/dbraw/zinc/14/54/73/1001145473.db2.gz LKFSYMWHQRQWES-JOCHJYFZSA-N 1 0 423.557 3.954 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000496273636 1001151638 /nfs/dbraw/zinc/15/16/38/1001151638.db2.gz UEVZMFARPDMMPO-JOCHJYFZSA-N 1 0 408.571 3.700 20 30 HHEDRO C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000496628886 1001206373 /nfs/dbraw/zinc/20/63/73/1001206373.db2.gz GAQCTVZKPUQGBI-NYDSKATKSA-N 1 0 423.536 3.657 20 30 HHEDRO C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000496628889 1001207059 /nfs/dbraw/zinc/20/70/59/1001207059.db2.gz GAQCTVZKPUQGBI-WGGBDISSSA-N 1 0 423.536 3.657 20 30 HHEDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000506160443 1001255343 /nfs/dbraw/zinc/25/53/43/1001255343.db2.gz PAIAEDCSUVVJOT-UHFFFAOYSA-N 1 0 404.558 3.601 20 30 HHEDRO Cc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000506173731 1001260000 /nfs/dbraw/zinc/26/00/00/1001260000.db2.gz NOJGTJLEGWIXLI-XMMPIXPASA-N 1 0 413.525 3.928 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000506215400 1001283218 /nfs/dbraw/zinc/28/32/18/1001283218.db2.gz NZCQERYSHKEGFK-UHFFFAOYSA-N 1 0 419.529 3.671 20 30 HHEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC(F)F ZINC000506258812 1001313020 /nfs/dbraw/zinc/31/30/20/1001313020.db2.gz KVXNZJWGWQKIPQ-UHFFFAOYSA-N 1 0 401.457 3.876 20 30 HHEDRO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000506278830 1001325147 /nfs/dbraw/zinc/32/51/47/1001325147.db2.gz BJNKILCKYFPGMB-UHFFFAOYSA-N 1 0 401.514 3.665 20 30 HHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000497415501 1001350650 /nfs/dbraw/zinc/35/06/50/1001350650.db2.gz HILFWNQMAQCSOJ-LOSJGSFVSA-N 1 0 411.505 3.965 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506508293 1001444750 /nfs/dbraw/zinc/44/47/50/1001444750.db2.gz APWUDPOHJVGJGN-SFHVURJKSA-N 1 0 400.542 3.685 20 30 HHEDRO CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000506555832 1001458234 /nfs/dbraw/zinc/45/82/34/1001458234.db2.gz QWOZUSQMOOCREY-GOSISDBHSA-N 1 0 421.541 3.977 20 30 HHEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OCC(=O)N1CCCC1 ZINC000506555535 1001458343 /nfs/dbraw/zinc/45/83/43/1001458343.db2.gz PAPXQLIGVPOTID-UHFFFAOYSA-N 1 0 419.525 3.733 20 30 HHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000506729955 1001507692 /nfs/dbraw/zinc/50/76/92/1001507692.db2.gz KGJZCEZHCOEHKW-UHFFFAOYSA-N 1 0 424.497 3.839 20 30 HHEDRO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000497883688 1001549429 /nfs/dbraw/zinc/54/94/29/1001549429.db2.gz MMLFCHCVMZJPAJ-HNNXBMFYSA-N 1 0 403.885 3.708 20 30 HHEDRO N#Cc1ccc(-n2nccc2NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000497936612 1001571120 /nfs/dbraw/zinc/57/11/20/1001571120.db2.gz GXTYZOBJMYOPPL-UHFFFAOYSA-N 1 0 403.511 3.545 20 30 HHEDRO CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000498028570 1001612231 /nfs/dbraw/zinc/61/22/31/1001612231.db2.gz CIDUQUVKRSAXPL-CTNGQTDRSA-N 1 0 420.557 3.892 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C)C(C)C ZINC000498367830 1001799373 /nfs/dbraw/zinc/79/93/73/1001799373.db2.gz QPGOYEXWORBIKX-JOCHJYFZSA-N 1 0 418.545 3.552 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1C(F)(F)F ZINC000498381780 1001812205 /nfs/dbraw/zinc/81/22/05/1001812205.db2.gz IOLXEEFFYPGOSE-UHFFFAOYSA-N 1 0 405.420 3.546 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(OC)c1 ZINC000507107024 1001814140 /nfs/dbraw/zinc/81/41/40/1001814140.db2.gz ZZXJCDFDACUCAX-UHFFFAOYSA-N 1 0 422.569 3.970 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000498423636 1001853287 /nfs/dbraw/zinc/85/32/87/1001853287.db2.gz QRCOKXFHHNQSFE-UHFFFAOYSA-N 1 0 424.520 3.588 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000498433641 1001864363 /nfs/dbraw/zinc/86/43/63/1001864363.db2.gz DLAGPHRZLDXMSA-UHFFFAOYSA-N 1 0 420.557 3.643 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000507210864 1001899391 /nfs/dbraw/zinc/89/93/91/1001899391.db2.gz LBIOCWMNICFSHV-HXUWFJFHSA-N 1 0 413.468 3.698 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)NC3(c4cccc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000498526747 1001948250 /nfs/dbraw/zinc/94/82/50/1001948250.db2.gz BNCKHBUOGKTQDJ-XZOQPEGZSA-N 1 0 416.525 3.833 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000498528149 1001948707 /nfs/dbraw/zinc/94/87/07/1001948707.db2.gz UWTYBOUYCJVBMZ-NRFANRHFSA-N 1 0 405.546 3.781 20 30 HHEDRO N#Cc1ccc(CCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000507275581 1001959992 /nfs/dbraw/zinc/95/99/92/1001959992.db2.gz BFMUPFMWBUAWAH-XMMPIXPASA-N 1 0 417.553 3.536 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000507423097 1002063973 /nfs/dbraw/zinc/06/39/73/1002063973.db2.gz QOJVNLRJWIEXHR-QIJUGHKUSA-N 1 0 418.497 3.963 20 30 HHEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000507425814 1002065980 /nfs/dbraw/zinc/06/59/80/1002065980.db2.gz WLGPFXYMRGYLTI-XMSQKQJNSA-N 1 0 404.514 3.677 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC1 ZINC000507659071 1002256724 /nfs/dbraw/zinc/25/67/24/1002256724.db2.gz JDAQWTGDRCTPPZ-UHFFFAOYSA-N 1 0 419.569 3.891 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498906222 1002300373 /nfs/dbraw/zinc/30/03/73/1002300373.db2.gz GNSZEUOBKXYBOS-PZJWPPBQSA-N 1 0 411.546 3.913 20 30 HHEDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000507761463 1002330672 /nfs/dbraw/zinc/33/06/72/1002330672.db2.gz FDYHEPHWUBKANR-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCc2cscn2)c1 ZINC000499043458 1002423772 /nfs/dbraw/zinc/42/37/72/1002423772.db2.gz KOXFVFRABVOWIV-UHFFFAOYSA-N 1 0 420.538 3.798 20 30 HHEDRO Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000507891091 1002424601 /nfs/dbraw/zinc/42/46/01/1002424601.db2.gz ZGJSURGLXNSMOH-GOTSBHOMSA-N 1 0 412.541 3.845 20 30 HHEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000507894013 1002427643 /nfs/dbraw/zinc/42/76/43/1002427643.db2.gz KCMDLCLFLJLYQW-OAQYLSRUSA-N 1 0 400.910 3.819 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1-c1ccc(Cl)cc1 ZINC000499054556 1002437103 /nfs/dbraw/zinc/43/71/03/1002437103.db2.gz ROLWXZBVEYERMN-UHFFFAOYSA-N 1 0 421.932 3.910 20 30 HHEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)cc1OCCCC#N ZINC000508030188 1002553059 /nfs/dbraw/zinc/55/30/59/1002553059.db2.gz WKQMNBHGTKRIQX-HXUWFJFHSA-N 1 0 422.529 3.932 20 30 HHEDRO C[N@H+](CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000508229478 1002757120 /nfs/dbraw/zinc/75/71/20/1002757120.db2.gz DJJJHXBMXOURSX-UHFFFAOYSA-N 1 0 406.530 3.633 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000499370438 1002765913 /nfs/dbraw/zinc/76/59/13/1002765913.db2.gz SSQIFKAQFXQIBA-UHFFFAOYSA-N 1 0 403.498 3.660 20 30 HHEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508465765 1002951154 /nfs/dbraw/zinc/95/11/54/1002951154.db2.gz RKVZUUVMIOGSJG-ZWKOTPCHSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508488192 1002971612 /nfs/dbraw/zinc/97/16/12/1002971612.db2.gz INMLBAJNTCNQCN-MSOLQXFVSA-N 1 0 401.530 3.911 20 30 HHEDRO C=CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508489470 1002972344 /nfs/dbraw/zinc/97/23/44/1002972344.db2.gz NSNIEDAPZTZKFY-UHFFFAOYSA-N 1 0 413.566 3.705 20 30 HHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508498600 1002981349 /nfs/dbraw/zinc/98/13/49/1002981349.db2.gz UALMYYJDULPZQZ-UHFFFAOYSA-N 1 0 411.550 3.620 20 30 HHEDRO C=CCn1c(-c2sccc2C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508504792 1002986561 /nfs/dbraw/zinc/98/65/61/1002986561.db2.gz AOJCWPHVAIDHIL-UHFFFAOYSA-N 1 0 401.580 3.582 20 30 HHEDRO COC(=O)CC[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Br)c1 ZINC000499712144 1003061192 /nfs/dbraw/zinc/06/11/92/1003061192.db2.gz XJVBAIQJCCFBAL-UHFFFAOYSA-N 1 0 423.351 3.915 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@H](C)N1CCCC1(C#N)CCOCC1 ZINC000499774314 1003111503 /nfs/dbraw/zinc/11/15/03/1003111503.db2.gz VUIJUIKRTVZBCL-SZPZYZBQSA-N 1 0 416.610 3.582 20 30 HHEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508712366 1003151147 /nfs/dbraw/zinc/15/11/47/1003151147.db2.gz HJDLGRCXCUUDAY-UHFFFAOYSA-N 1 0 412.538 3.988 20 30 HHEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508715951 1003155846 /nfs/dbraw/zinc/15/58/46/1003155846.db2.gz QDVBGRZQNWTGMT-JOCHJYFZSA-N 1 0 403.530 3.791 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508744252 1003180824 /nfs/dbraw/zinc/18/08/24/1003180824.db2.gz CGQGAXRTSFLZJN-LJQANCHMSA-N 1 0 404.562 3.848 20 30 HHEDRO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508750032 1003185685 /nfs/dbraw/zinc/18/56/85/1003185685.db2.gz YFWZRMHNXBFNTP-UHFFFAOYSA-N 1 0 406.559 3.847 20 30 HHEDRO CCC[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000499890824 1003225728 /nfs/dbraw/zinc/22/57/28/1003225728.db2.gz AKJZHTQKBLCKGJ-ZWKOTPCHSA-N 1 0 404.580 3.903 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508819092 1003243525 /nfs/dbraw/zinc/24/35/25/1003243525.db2.gz WNCUMUGCAUHLFM-FKBYEOEOSA-N 1 0 407.562 3.774 20 30 HHEDRO C=CCn1c(N2CC[C@@H](C[NH+]3CCCCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000508823684 1003247418 /nfs/dbraw/zinc/24/74/18/1003247418.db2.gz FGFBGSIGYLOGTI-SFHVURJKSA-N 1 0 417.504 3.905 20 30 HHEDRO C=CCn1c(CN2CCCc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508842482 1003262990 /nfs/dbraw/zinc/26/29/90/1003262990.db2.gz XZFQAJFIXOQXKG-HXUWFJFHSA-N 1 0 408.594 3.585 20 30 HHEDRO C=CCn1c(Cc2ccccc2C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000508846997 1003268296 /nfs/dbraw/zinc/26/82/96/1003268296.db2.gz STNXMKSHABYVSH-UHFFFAOYSA-N 1 0 423.605 3.692 20 30 HHEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508850877 1003271794 /nfs/dbraw/zinc/27/17/94/1003271794.db2.gz WOVKIZJXCRARMU-FQEVSTJZSA-N 1 0 422.577 3.645 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508863621 1003283522 /nfs/dbraw/zinc/28/35/22/1003283522.db2.gz IZJMPFJFWOUKFY-QGZVFWFLSA-N 1 0 403.958 3.865 20 30 HHEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508863799 1003284223 /nfs/dbraw/zinc/28/42/23/1003284223.db2.gz LGZQNQSHXAMYRO-UHFFFAOYSA-N 1 0 412.538 3.988 20 30 HHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000508885339 1003309129 /nfs/dbraw/zinc/30/91/29/1003309129.db2.gz OSSJHSFOLAIRPD-GKYDQMIMSA-N 1 0 401.599 3.898 20 30 HHEDRO C=CCn1c(CC(C)(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000508894183 1003324014 /nfs/dbraw/zinc/32/40/14/1003324014.db2.gz KFELRYRTLHJMNB-GHTZIAJQSA-N 1 0 413.614 3.696 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508897582 1003328234 /nfs/dbraw/zinc/32/82/34/1003328234.db2.gz NYBJOUNZBRIIQQ-XXBNENTESA-N 1 0 408.546 3.716 20 30 HHEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000508902795 1003339615 /nfs/dbraw/zinc/33/96/15/1003339615.db2.gz LSDKPNCUPBLJFD-SIKLNZKXSA-N 1 0 409.578 3.910 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000508921758 1003361143 /nfs/dbraw/zinc/36/11/43/1003361143.db2.gz MUVIPNMFLLULGV-QFIPXVFZSA-N 1 0 409.578 3.555 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508929777 1003375323 /nfs/dbraw/zinc/37/53/23/1003375323.db2.gz BZIPXRINXUNHGN-GOSISDBHSA-N 1 0 413.591 3.830 20 30 HHEDRO C=CCC[C@H](NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000500095814 1003457462 /nfs/dbraw/zinc/45/74/62/1003457462.db2.gz FEAHUVAQXNZVDT-FCEWJHQRSA-N 1 0 413.484 3.809 20 30 HHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508995251 1003466213 /nfs/dbraw/zinc/46/62/13/1003466213.db2.gz BMONZNGSTVTICM-DENIHFKCSA-N 1 0 407.562 3.539 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509105413 1003556301 /nfs/dbraw/zinc/55/63/01/1003556301.db2.gz DMKANLSYFALNCQ-FQEVSTJZSA-N 1 0 403.404 3.960 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[NH+]2CCCC2)o1 ZINC000509193278 1003616526 /nfs/dbraw/zinc/61/65/26/1003616526.db2.gz FJUNCCULEKJEJA-QFIPXVFZSA-N 1 0 424.520 3.769 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000500596752 1003810180 /nfs/dbraw/zinc/81/01/80/1003810180.db2.gz DUPIONYYMDQGIV-UHFFFAOYSA-N 1 0 419.916 3.911 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1)C(C)C ZINC000509462707 1003881187 /nfs/dbraw/zinc/88/11/87/1003881187.db2.gz JWPCZLKLPZGVKL-DEOSSOPVSA-N 1 0 404.558 3.940 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000500747824 1003934779 /nfs/dbraw/zinc/93/47/79/1003934779.db2.gz ZATIAPNPCOVAAX-YLJYHZDGSA-N 1 0 407.562 3.931 20 30 HHEDRO C[C@H]([NH2+]C1(CNS(=O)(=O)Cc2cc(C#N)ccc2F)CCCC1)c1ccccc1 ZINC000500954803 1004075865 /nfs/dbraw/zinc/07/58/65/1004075865.db2.gz PMJAHZFYEIAKAW-KRWDZBQOSA-N 1 0 415.534 3.780 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000512189133 1004090925 /nfs/dbraw/zinc/09/09/25/1004090925.db2.gz HTKSJBYQFLAVFL-LADGPHEKSA-N 1 0 405.517 3.873 20 30 HHEDRO N#CCSc1ccccc1NC(=O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512278812 1004179748 /nfs/dbraw/zinc/17/97/48/1004179748.db2.gz RODBMODVYDFTEM-XMMPIXPASA-N 1 0 420.582 3.839 20 30 HHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccn1 ZINC000512282483 1004184170 /nfs/dbraw/zinc/18/41/70/1004184170.db2.gz VKDQJHCQDGUFEG-UHFFFAOYSA-N 1 0 416.481 3.725 20 30 HHEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C#N)c1C ZINC000512285414 1004187899 /nfs/dbraw/zinc/18/78/99/1004187899.db2.gz IBRVMSHGEZSOHG-UUOWRZLLSA-N 1 0 406.530 3.693 20 30 HHEDRO Cn1cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000501145917 1004234758 /nfs/dbraw/zinc/23/47/58/1004234758.db2.gz VOKUZHJPCQSHKH-JOCHJYFZSA-N 1 0 417.557 3.573 20 30 HHEDRO COCCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000510181915 1004380054 /nfs/dbraw/zinc/38/00/54/1004380054.db2.gz BQRKQQOFQCDGGM-UHFFFAOYSA-N 1 0 422.529 3.632 20 30 HHEDRO CCOc1c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)nn1CC(C)C ZINC000512624689 1004437450 /nfs/dbraw/zinc/43/74/50/1004437450.db2.gz ZIGBMJMOFQQWSV-UHFFFAOYSA-N 1 0 423.561 3.969 20 30 HHEDRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000510291785 1004455905 /nfs/dbraw/zinc/45/59/05/1004455905.db2.gz XUZPDAKHKLISBS-XAJVHEMHSA-N 1 0 412.644 3.609 20 30 HHEDRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)cc1F ZINC000512659584 1004470360 /nfs/dbraw/zinc/47/03/60/1004470360.db2.gz IGRCTCVMIPSEAP-OAHLLOKOSA-N 1 0 421.563 3.827 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000501502689 1004471170 /nfs/dbraw/zinc/47/11/70/1004471170.db2.gz NQVVSVQCVQSLIH-KRWDZBQOSA-N 1 0 400.276 3.763 20 30 HHEDRO C[NH+](C)CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000512687691 1004493930 /nfs/dbraw/zinc/49/39/30/1004493930.db2.gz WANAQTMNULAQLS-UHFFFAOYSA-N 1 0 400.542 3.637 20 30 HHEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512691267 1004497329 /nfs/dbraw/zinc/49/73/29/1004497329.db2.gz UAGNWODBBCXZCJ-QHCPKHFHSA-N 1 0 406.574 3.681 20 30 HHEDRO CN(C(=O)C[NH2+][C@H]1CCOc2c(Br)cccc21)C1(C#N)CCCCC1 ZINC000501547769 1004506691 /nfs/dbraw/zinc/50/66/91/1004506691.db2.gz DCWCUSVOSISRSP-INIZCTEOSA-N 1 0 406.324 3.547 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510405347 1004542463 /nfs/dbraw/zinc/54/24/63/1004542463.db2.gz BZJHUANQXLCYGN-UWJYYQICSA-N 1 0 405.477 3.758 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccco1 ZINC000510420441 1004554842 /nfs/dbraw/zinc/55/48/42/1004554842.db2.gz DKPKGADVCDONEL-SWLSCSKDSA-N 1 0 415.437 3.578 20 30 HHEDRO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512843293 1004604272 /nfs/dbraw/zinc/60/42/72/1004604272.db2.gz FZLMININCILNHM-IAGOWNOFSA-N 1 0 407.489 3.907 20 30 HHEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000510513659 1004637891 /nfs/dbraw/zinc/63/78/91/1004637891.db2.gz IPXNBTPVUWGBLV-UHFFFAOYSA-N 1 0 402.420 3.890 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000510560363 1004703422 /nfs/dbraw/zinc/70/34/22/1004703422.db2.gz RCVWVPYGZXYVEC-NRFANRHFSA-N 1 0 419.554 3.878 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)Nc1ccccc1SCC#N ZINC000501810878 1004751528 /nfs/dbraw/zinc/75/15/28/1004751528.db2.gz CZXYJUMPYCVJQJ-RTBURBONSA-N 1 0 408.571 3.836 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000513107010 1004810255 /nfs/dbraw/zinc/81/02/55/1004810255.db2.gz BSFBFXWZHLIYNZ-FQEVSTJZSA-N 1 0 418.476 3.842 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](Cc3ccc(F)cc3)C(N)=O)c2)c1 ZINC000501933442 1004817344 /nfs/dbraw/zinc/81/73/44/1004817344.db2.gz NCMOCSKTNKSVTC-QFIPXVFZSA-N 1 0 417.484 3.710 20 30 HHEDRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000501972059 1004838476 /nfs/dbraw/zinc/83/84/76/1004838476.db2.gz TWKKABCLLCHRRB-JOCHJYFZSA-N 1 0 421.541 3.772 20 30 HHEDRO N#Cc1ccc(Cl)c(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000513396829 1004942494 /nfs/dbraw/zinc/94/24/94/1004942494.db2.gz GEABWSKBGXNNTB-UHFFFAOYSA-N 1 0 401.869 3.624 20 30 HHEDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000511033254 1004989957 /nfs/dbraw/zinc/98/99/57/1004989957.db2.gz YLDLTBKBRHHHEQ-UHFFFAOYSA-N 1 0 420.557 3.692 20 30 HHEDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc(C#N)cc2C)ccc1Cl ZINC000511192380 1005068061 /nfs/dbraw/zinc/06/80/61/1005068061.db2.gz UNBNNJVHHILIPC-UHFFFAOYSA-N 1 0 412.921 3.844 20 30 HHEDRO COCC[N@H+](C)CC[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1 ZINC000511204231 1005072787 /nfs/dbraw/zinc/07/27/87/1005072787.db2.gz VCDYJWOTKGDFOV-QFIPXVFZSA-N 1 0 411.521 3.801 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511237042 1005085736 /nfs/dbraw/zinc/08/57/36/1005085736.db2.gz VRUZGWAGYGXIDP-BGYRXZFFSA-N 1 0 412.578 3.869 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000511240726 1005086895 /nfs/dbraw/zinc/08/68/95/1005086895.db2.gz IITKPNWNLCZUHG-UGKGYDQZSA-N 1 0 418.541 3.947 20 30 HHEDRO C=CCc1cc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000511246749 1005089535 /nfs/dbraw/zinc/08/95/35/1005089535.db2.gz DXHLZAUNVKIHNF-YLJYHZDGSA-N 1 0 415.578 3.885 20 30 HHEDRO Cc1nc(SCC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c(C)c1C ZINC000511252054 1005092150 /nfs/dbraw/zinc/09/21/50/1005092150.db2.gz KKZUIEYVJUXXAN-ROUUACIJSA-N 1 0 400.592 3.740 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000511353833 1005136039 /nfs/dbraw/zinc/13/60/39/1005136039.db2.gz RHJUBIWUROYBEY-QHCPKHFHSA-N 1 0 420.557 3.807 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000511373316 1005144986 /nfs/dbraw/zinc/14/49/86/1005144986.db2.gz XHDMBYUAEVYKGD-LADGPHEKSA-N 1 0 420.557 3.799 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc2c(cc1SC)OCCO2)C(C)C ZINC000513972317 1005208211 /nfs/dbraw/zinc/20/82/11/1005208211.db2.gz AFIYQDXICHBZLF-KRWDZBQOSA-N 1 0 405.564 4.000 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](c3ccccc3Cl)N3CCOCC3)CC2)cc1 ZINC000514085404 1005259034 /nfs/dbraw/zinc/25/90/34/1005259034.db2.gz VLJOHDLRCOPMFR-XMMPIXPASA-N 1 0 424.976 3.844 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC(C)(C)C[N@H+](C)Cc3ccccc3)C2)n1 ZINC000514247731 1005332151 /nfs/dbraw/zinc/33/21/51/1005332151.db2.gz FLRLVZGXMQHIEX-JOCHJYFZSA-N 1 0 419.573 3.505 20 30 HHEDRO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2)cc1 ZINC000503118480 1005351620 /nfs/dbraw/zinc/35/16/20/1005351620.db2.gz GCGJREDYCYFCJY-FQEVSTJZSA-N 1 0 420.513 3.927 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000503140167 1005355809 /nfs/dbraw/zinc/35/58/09/1005355809.db2.gz SBUAKVAHPZPPFN-LJFZDNNRSA-N 1 0 413.562 3.760 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc(CC#N)cc3)CC2)c1 ZINC000503209312 1005369013 /nfs/dbraw/zinc/36/90/13/1005369013.db2.gz VXFIEWATSYHJMK-UHFFFAOYSA-N 1 0 405.546 3.785 20 30 HHEDRO C[NH+]1CCC(CCNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1 ZINC000503259848 1005378912 /nfs/dbraw/zinc/37/89/12/1005378912.db2.gz NMAFHVZHMZSXCA-UHFFFAOYSA-N 1 0 416.576 3.555 20 30 HHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000503280107 1005382816 /nfs/dbraw/zinc/38/28/16/1005382816.db2.gz IPWUIRQIYHNBMQ-HXUWFJFHSA-N 1 0 420.513 3.670 20 30 HHEDRO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1-c1cccc(C#N)c1 ZINC000503339333 1005393494 /nfs/dbraw/zinc/39/34/94/1005393494.db2.gz PVIMYEZYTTXJBS-QFIPXVFZSA-N 1 0 413.525 3.647 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(N3CCc4ccccc43)CC1)CCC2 ZINC000503371471 1005400347 /nfs/dbraw/zinc/40/03/47/1005400347.db2.gz BHAQAJVTUBQNFB-UHFFFAOYSA-N 1 0 420.582 3.964 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1c1cccs1 ZINC000503406961 1005410721 /nfs/dbraw/zinc/41/07/21/1005410721.db2.gz PGMJVHZZXMWZAG-FYINFDKHSA-N 1 0 405.564 3.509 20 30 HHEDRO N#Cc1ccc(CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C2CC2)cc1 ZINC000503747625 1005488840 /nfs/dbraw/zinc/48/88/40/1005488840.db2.gz LRSQSLYLYLWQSE-HSZRJFAPSA-N 1 0 402.542 3.797 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC(C)C ZINC000503930942 1005514501 /nfs/dbraw/zinc/51/45/01/1005514501.db2.gz PQPAADPPHFOISQ-NRFANRHFSA-N 1 0 407.514 3.887 20 30 HHEDRO N#Cc1cc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1F ZINC000504051247 1005541267 /nfs/dbraw/zinc/54/12/67/1005541267.db2.gz HNGOKLAEBFHCNQ-UHFFFAOYSA-N 1 0 415.900 3.685 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000504073526 1005546484 /nfs/dbraw/zinc/54/64/84/1005546484.db2.gz BDTLDUFPWXTKJU-HOYKHHGWSA-N 1 0 413.562 3.939 20 30 HHEDRO CCOc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000504376044 1005611544 /nfs/dbraw/zinc/61/15/44/1005611544.db2.gz ZYQSCWCWELYSQH-UHFFFAOYSA-N 1 0 414.937 3.884 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000504442940 1005630218 /nfs/dbraw/zinc/63/02/18/1005630218.db2.gz PJUIICXKFNDCGH-UHFFFAOYSA-N 1 0 423.479 3.665 20 30 HHEDRO CCN1CC[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000514426193 1005984538 /nfs/dbraw/zinc/98/45/38/1005984538.db2.gz MUEAIYYOTAJEJX-DCPHZVHLSA-N 1 0 422.495 3.560 20 30 HHEDRO COc1cc(CCC2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc(OC)c1 ZINC000514523340 1006019708 /nfs/dbraw/zinc/01/97/08/1006019708.db2.gz ODFKERMMEJMQGF-HOYKHHGWSA-N 1 0 415.578 3.791 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534087507 1006061130 /nfs/dbraw/zinc/06/11/30/1006061130.db2.gz OGKOQDNLXAQNNE-HOJAQTOUSA-N 1 0 424.570 3.695 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000514708840 1006090620 /nfs/dbraw/zinc/09/06/20/1006090620.db2.gz QKRQVTVVLCGSFA-MRXNPFEDSA-N 1 0 424.574 3.995 20 30 HHEDRO CCc1cc(N2CCC([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)CC2)ncn1 ZINC000531359956 1006147587 /nfs/dbraw/zinc/14/75/87/1006147587.db2.gz YLVDZRXQMZICHU-UHFFFAOYSA-N 1 0 415.545 3.575 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000514874366 1006175984 /nfs/dbraw/zinc/17/59/84/1006175984.db2.gz WEMICOQMRXAGNJ-UHFFFAOYSA-N 1 0 419.982 3.877 20 30 HHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000531449965 1006204631 /nfs/dbraw/zinc/20/46/31/1006204631.db2.gz WPRWWQAVFJOMLD-PRHHBONVSA-N 1 0 407.514 3.873 20 30 HHEDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2N2CCOCC2)cc1OCCCC#N ZINC000531487067 1006225741 /nfs/dbraw/zinc/22/57/41/1006225741.db2.gz OPQXQGGAMVRBMM-UHFFFAOYSA-N 1 0 409.530 3.813 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1OCC ZINC000531564649 1006275444 /nfs/dbraw/zinc/27/54/44/1006275444.db2.gz GQEXKNBBBIJRHN-OAHLLOKOSA-N 1 0 406.324 3.783 20 30 HHEDRO C[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000515239248 1006352350 /nfs/dbraw/zinc/35/23/50/1006352350.db2.gz AKVJJEIWXIIHQA-LJQANCHMSA-N 1 0 419.550 3.885 20 30 HHEDRO C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000534384199 1006356843 /nfs/dbraw/zinc/35/68/43/1006356843.db2.gz KWLQHHQDYULJNK-OFAXGOBFSA-N 1 0 411.594 3.598 20 30 HHEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000515322567 1006394211 /nfs/dbraw/zinc/39/42/11/1006394211.db2.gz QJIQDNNDIJGAON-UZLBHIALSA-N 1 0 417.347 3.866 20 30 HHEDRO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356261 1006414695 /nfs/dbraw/zinc/41/46/95/1006414695.db2.gz HLOFLPBQKSAEHB-RTWAWAEBSA-N 1 0 418.585 3.894 20 30 HHEDRO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000515356260 1006414945 /nfs/dbraw/zinc/41/49/45/1006414945.db2.gz HLOFLPBQKSAEHB-NHCUHLMSSA-N 1 0 418.585 3.894 20 30 HHEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000538390567 1006660399 /nfs/dbraw/zinc/66/03/99/1006660399.db2.gz SDQSSHKYAPIWPT-FIJUWNONSA-N 1 0 411.546 3.818 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)(C)C ZINC000538392630 1006662669 /nfs/dbraw/zinc/66/26/69/1006662669.db2.gz ZLHPXFJLMMSGBQ-UZLBHIALSA-N 1 0 400.567 3.770 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515774710 1006663641 /nfs/dbraw/zinc/66/36/41/1006663641.db2.gz GZSJVYZWWLDILY-OAQYLSRUSA-N 1 0 407.514 3.679 20 30 HHEDRO COc1ccc([C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2nccn2C)cc1 ZINC000538398772 1006666660 /nfs/dbraw/zinc/66/66/60/1006666660.db2.gz TVUVEGFLOBMWOJ-XMMPIXPASA-N 1 0 415.541 3.644 20 30 HHEDRO Cn1ccnc1[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000538397545 1006666680 /nfs/dbraw/zinc/66/66/80/1006666680.db2.gz MFHQMBBLHQAZBV-QHCPKHFHSA-N 1 0 403.505 3.774 20 30 HHEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+]Cc3ccc(C#N)s3)c2)cc1 ZINC000538408873 1006676527 /nfs/dbraw/zinc/67/65/27/1006676527.db2.gz VZRUUTZIFMNDDB-UHFFFAOYSA-N 1 0 413.524 3.719 20 30 HHEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000532227805 1006734920 /nfs/dbraw/zinc/73/49/20/1006734920.db2.gz XRUXONIQUSTUSQ-SJLPKXTDSA-N 1 0 410.493 3.682 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Oc3ccc(F)c(F)c3)cc2)c1C#N ZINC000534796322 1006799659 /nfs/dbraw/zinc/79/96/59/1006799659.db2.gz NBBVHRDCSKMVQM-UHFFFAOYSA-N 1 0 411.412 3.756 20 30 HHEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000516019557 1006834121 /nfs/dbraw/zinc/83/41/21/1006834121.db2.gz QUYIIDXINIQOAU-UHFFFAOYSA-N 1 0 418.541 3.920 20 30 HHEDRO COc1ccc(C[C@H](C)C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000534915132 1006949879 /nfs/dbraw/zinc/94/98/79/1006949879.db2.gz KGGKVTVYWWNSOK-SFHVURJKSA-N 1 0 417.513 3.502 20 30 HHEDRO Cc1cccc(C)c1OC[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000516227116 1006961436 /nfs/dbraw/zinc/96/14/36/1006961436.db2.gz IMYFEJBDPURAEG-FQEVSTJZSA-N 1 0 408.546 3.716 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000538707829 1006984254 /nfs/dbraw/zinc/98/42/54/1006984254.db2.gz DPUCKUQYLHFVOI-DEOSSOPVSA-N 1 0 408.546 3.793 20 30 HHEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000532584737 1007020931 /nfs/dbraw/zinc/02/09/31/1007020931.db2.gz SNPGWIVHIYJDMU-MRXNPFEDSA-N 1 0 407.905 3.899 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000532715581 1007127645 /nfs/dbraw/zinc/12/76/45/1007127645.db2.gz XVLYVMAAUBJEBA-LJQANCHMSA-N 1 0 422.554 3.564 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCCc3nc(C)sc32)c(OC)c1 ZINC000532716441 1007128696 /nfs/dbraw/zinc/12/86/96/1007128696.db2.gz QHEQJGPODTZTDO-MJGOQNOKSA-N 1 0 402.560 3.938 20 30 HHEDRO C=CCN(C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000538958530 1007247426 /nfs/dbraw/zinc/24/74/26/1007247426.db2.gz CORKQNLTANMOOH-UHFFFAOYSA-N 1 0 424.511 3.968 20 30 HHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000535207626 1007256061 /nfs/dbraw/zinc/25/60/61/1007256061.db2.gz RIWBCBLZFBZIQA-NRFANRHFSA-N 1 0 401.514 3.756 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000532942258 1007312386 /nfs/dbraw/zinc/31/23/86/1007312386.db2.gz UQJVKTPFFVUBGJ-QFIPXVFZSA-N 1 0 422.916 3.988 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)N(C)CCOCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000516943280 1007348904 /nfs/dbraw/zinc/34/89/04/1007348904.db2.gz QSXAWYDVUTVGGL-HSZRJFAPSA-N 1 0 408.546 3.582 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000532986106 1007356559 /nfs/dbraw/zinc/35/65/59/1007356559.db2.gz AFLZICRDCPVBCZ-QFIPXVFZSA-N 1 0 417.475 3.688 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000533028144 1007387884 /nfs/dbraw/zinc/38/78/84/1007387884.db2.gz NUUZSJIWTQFPFV-HSZRJFAPSA-N 1 0 401.466 3.915 20 30 HHEDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(CC#N)cc3)c(C(F)(F)F)c2)CC1 ZINC000535397747 1007464160 /nfs/dbraw/zinc/46/41/60/1007464160.db2.gz LLDCWZHFEWHMPT-UHFFFAOYSA-N 1 0 402.420 3.776 20 30 HHEDRO N#Cc1ccccc1-c1ccc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000539170865 1007471026 /nfs/dbraw/zinc/47/10/26/1007471026.db2.gz XXMYTGCVFLFHJP-UHFFFAOYSA-N 1 0 418.541 3.669 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000517243558 1007514150 /nfs/dbraw/zinc/51/41/50/1007514150.db2.gz UKKSEFVPMPAYCS-FOIQADDNSA-N 1 0 411.468 3.771 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000539230583 1007523361 /nfs/dbraw/zinc/52/33/61/1007523361.db2.gz ZOIIHSCHNYPONW-KRWDZBQOSA-N 1 0 408.502 3.641 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000539233888 1007528004 /nfs/dbraw/zinc/52/80/04/1007528004.db2.gz OXASWEWYKNAPRN-SFHVURJKSA-N 1 0 412.493 3.778 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)ccc1OCc1ccccc1 ZINC000539252614 1007546294 /nfs/dbraw/zinc/54/62/94/1007546294.db2.gz LDFZFZHEWAPTKG-UUOWRZLLSA-N 1 0 409.530 3.979 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276819 1007571689 /nfs/dbraw/zinc/57/16/89/1007571689.db2.gz NWLKKVROOKRSNG-WNSKOXEYSA-N 1 0 408.477 3.537 20 30 HHEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000539277668 1007572609 /nfs/dbraw/zinc/57/26/09/1007572609.db2.gz SMKWHHBHXZRDEK-LJQANCHMSA-N 1 0 403.324 3.536 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000533277326 1007589190 /nfs/dbraw/zinc/58/91/90/1007589190.db2.gz FSOBJKCTKWRVOY-MOPGFXCFSA-N 1 0 400.592 3.970 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000533293042 1007607329 /nfs/dbraw/zinc/60/73/29/1007607329.db2.gz KBQVXGGYDRBJJG-KXBFYZLASA-N 1 0 406.368 3.855 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000539360898 1007663733 /nfs/dbraw/zinc/66/37/33/1007663733.db2.gz BFKGZWSRXXDWKI-OZOXKJRCSA-N 1 0 410.514 3.615 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000533370672 1007680813 /nfs/dbraw/zinc/68/08/13/1007680813.db2.gz PLBZOFLBDNTKJV-GOSISDBHSA-N 1 0 419.460 3.956 20 30 HHEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000533394813 1007706655 /nfs/dbraw/zinc/70/66/55/1007706655.db2.gz FETWLHFJRBNPFH-FQEVSTJZSA-N 1 0 411.590 3.703 20 30 HHEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528748 1007748232 /nfs/dbraw/zinc/74/82/32/1007748232.db2.gz GKDCIYIKBSNCGY-INIZCTEOSA-N 1 0 410.909 3.894 20 30 HHEDRO C[NH+](C)[C@H]1CCN(c2ccc(NCc3cn(CCC#N)nc3-c3ccccc3)nc2)C1 ZINC000533443531 1007759224 /nfs/dbraw/zinc/75/92/24/1007759224.db2.gz DIECBNIBPZGKHU-QFIPXVFZSA-N 1 0 415.545 3.611 20 30 HHEDRO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)c1 ZINC000533447934 1007763830 /nfs/dbraw/zinc/76/38/30/1007763830.db2.gz AZHUVBGNJGKXIN-SZTYLXMGSA-N 1 0 412.578 3.891 20 30 HHEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000539454659 1007765813 /nfs/dbraw/zinc/76/58/13/1007765813.db2.gz NLBXJBCCXJFSSJ-PZJWPPBQSA-N 1 0 410.587 3.767 20 30 HHEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000535788878 1007793656 /nfs/dbraw/zinc/79/36/56/1007793656.db2.gz BDJYHIYMGSSWDL-UHFFFAOYSA-N 1 0 409.505 3.617 20 30 HHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000533508779 1007825504 /nfs/dbraw/zinc/82/55/04/1007825504.db2.gz JZKSALRZBXWGRN-UHFFFAOYSA-N 1 0 422.367 3.524 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)c1C#N ZINC000535837062 1007847854 /nfs/dbraw/zinc/84/78/54/1007847854.db2.gz SXZVTYUFVCZNPE-UHFFFAOYSA-N 1 0 422.558 3.777 20 30 HHEDRO COc1sc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Br ZINC000517782802 1007965777 /nfs/dbraw/zinc/96/57/77/1007965777.db2.gz ZSWYONNTPAXQSG-UHFFFAOYSA-N 1 0 408.365 3.955 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000539764831 1008080298 /nfs/dbraw/zinc/08/02/98/1008080298.db2.gz DGMIXUKIPPIYGQ-LJQANCHMSA-N 1 0 403.486 3.610 20 30 HHEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533760793 1008086278 /nfs/dbraw/zinc/08/62/78/1008086278.db2.gz HGEFKGWKQCYCKQ-SFHVURJKSA-N 1 0 407.905 3.973 20 30 HHEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc(OCc2ccccc2C#N)c1 ZINC000539896547 1008170631 /nfs/dbraw/zinc/17/06/31/1008170631.db2.gz NFLCJKRFOGGCCZ-QLBJFCOMSA-N 1 0 405.542 3.821 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000518255479 1008228272 /nfs/dbraw/zinc/22/82/72/1008228272.db2.gz DPCCFRZBHULMTL-SFHVURJKSA-N 1 0 415.607 3.572 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000518288895 1008241248 /nfs/dbraw/zinc/24/12/48/1008241248.db2.gz UJRFIVUKJQUBBN-UHFFFAOYSA-N 1 0 406.530 3.554 20 30 HHEDRO COc1ccc(C[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000533984462 1008248297 /nfs/dbraw/zinc/24/82/97/1008248297.db2.gz GGFCALYOIKRNIT-LJQANCHMSA-N 1 0 408.546 3.519 20 30 HHEDRO CN(C(=O)CCCCOc1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000518399316 1008287757 /nfs/dbraw/zinc/28/77/57/1008287757.db2.gz ZFLXYHKYIJVSDB-UHFFFAOYSA-N 1 0 420.557 3.668 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000518519857 1008335629 /nfs/dbraw/zinc/33/56/29/1008335629.db2.gz IIQWCOZGRJBZDF-SFHVURJKSA-N 1 0 406.530 3.950 20 30 HHEDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000540329633 1008382754 /nfs/dbraw/zinc/38/27/54/1008382754.db2.gz YWLQKXCWLAFGML-JOCHJYFZSA-N 1 0 424.545 3.752 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000518675673 1008387804 /nfs/dbraw/zinc/38/78/04/1008387804.db2.gz LJPKAMWNIYKKFS-VQIMIIECSA-N 1 0 416.591 3.504 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000518676491 1008387976 /nfs/dbraw/zinc/38/79/76/1008387976.db2.gz DSXXDNIBWUDNTI-UHFFFAOYSA-N 1 0 422.554 3.543 20 30 HHEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000540413858 1008422902 /nfs/dbraw/zinc/42/29/02/1008422902.db2.gz ISUPBMRQPPNKIP-IEZWGBDMSA-N 1 0 413.484 3.572 20 30 HHEDRO C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000518817284 1008431305 /nfs/dbraw/zinc/43/13/05/1008431305.db2.gz NABDSVGXULUFCW-CQSZACIVSA-N 1 0 418.950 3.721 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518837463 1008439795 /nfs/dbraw/zinc/43/97/95/1008439795.db2.gz VKRVZIYWXSEIIP-UYAOXDASSA-N 1 0 415.557 3.620 20 30 HHEDRO CC(C)(CCc1ccccc1)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000540548079 1008476479 /nfs/dbraw/zinc/47/64/79/1008476479.db2.gz ATLPQDXCLYGMNO-QHCPKHFHSA-N 1 0 422.548 3.536 20 30 HHEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000540549008 1008476931 /nfs/dbraw/zinc/47/69/31/1008476931.db2.gz ITUZFKZEAKAKQF-NFBKMPQASA-N 1 0 410.587 3.786 20 30 HHEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CC1(C#N)CCC1 ZINC000519033930 1008506795 /nfs/dbraw/zinc/50/67/95/1008506795.db2.gz CYBJWRQSYICGOX-UHFFFAOYSA-N 1 0 418.390 3.771 20 30 HHEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000548954384 1008539360 /nfs/dbraw/zinc/53/93/60/1008539360.db2.gz UAPUSWOBSTWNJF-QGZVFWFLSA-N 1 0 402.340 3.568 20 30 HHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cc1OC ZINC000548960503 1008543360 /nfs/dbraw/zinc/54/33/60/1008543360.db2.gz HKPZOHMAGDQUIM-FQEVSTJZSA-N 1 0 413.562 3.834 20 30 HHEDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542977398 1008552434 /nfs/dbraw/zinc/55/24/34/1008552434.db2.gz FQCUOCQQLPRORF-GOSISDBHSA-N 1 0 406.530 3.696 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2oc3c(cccc3Br)c2C)c1C#N ZINC000543026686 1008608936 /nfs/dbraw/zinc/60/89/36/1008608936.db2.gz UYGUSWGLHFOTJB-UHFFFAOYSA-N 1 0 416.279 3.503 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549117404 1008684992 /nfs/dbraw/zinc/68/49/92/1008684992.db2.gz VBZPGZCELDFGKM-UYAOXDASSA-N 1 0 406.933 3.547 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 ZINC000519291000 1008702909 /nfs/dbraw/zinc/70/29/09/1008702909.db2.gz GIZQQXYOEWKVIX-UHFFFAOYSA-N 1 0 418.541 3.910 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000519383106 1008777760 /nfs/dbraw/zinc/77/77/60/1008777760.db2.gz IIUIZKYECJGIEK-QFIPXVFZSA-N 1 0 410.562 3.983 20 30 HHEDRO C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549213632 1008784055 /nfs/dbraw/zinc/78/40/55/1008784055.db2.gz LVLOGFTUQHGPDL-LEWJYISDSA-N 1 0 419.614 3.671 20 30 HHEDRO N#Cc1ccc2nc(NC[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)ccc2c1 ZINC000549232375 1008803003 /nfs/dbraw/zinc/80/30/03/1008803003.db2.gz CRDCJEJTZABNGO-HSZRJFAPSA-N 1 0 412.537 4.447 20 30 HHEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000549235882 1008807373 /nfs/dbraw/zinc/80/73/73/1008807373.db2.gz PYMZAEMLLCHOIR-ZLNRFVROSA-N 1 0 417.509 3.825 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCSCc1ccccc1C#N ZINC000519502311 1008873477 /nfs/dbraw/zinc/87/34/77/1008873477.db2.gz LVJDCDYUEWHKBL-UHFFFAOYSA-N 1 0 414.550 3.704 20 30 HHEDRO C=C(C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC000549331612 1008909888 /nfs/dbraw/zinc/90/98/88/1008909888.db2.gz NCVRZINUHZHMNL-UHFFFAOYSA-N 1 0 422.346 3.953 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000543347912 1008933777 /nfs/dbraw/zinc/93/37/77/1008933777.db2.gz VGUPIQACGCLNRX-NRFANRHFSA-N 1 0 408.502 3.542 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000549379716 1008962759 /nfs/dbraw/zinc/96/27/59/1008962759.db2.gz NUJMPJZMSBNTAJ-FQEVSTJZSA-N 1 0 415.921 3.653 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000549405421 1008992944 /nfs/dbraw/zinc/99/29/44/1008992944.db2.gz PKUDAPPXAGZRHI-GAJHUEQPSA-N 1 0 407.489 3.903 20 30 HHEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000519756860 1008996296 /nfs/dbraw/zinc/99/62/96/1008996296.db2.gz BTRCCEGQPZWTKP-HXUWFJFHSA-N 1 0 402.542 3.873 20 30 HHEDRO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000549410185 1008997375 /nfs/dbraw/zinc/99/73/75/1008997375.db2.gz RBGGYDVDWNAVBQ-UHFFFAOYSA-N 1 0 421.570 3.972 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000543459555 1009043880 /nfs/dbraw/zinc/04/38/80/1009043880.db2.gz DRPUXWSMTAAPHO-SCLBCKFNSA-N 1 0 419.451 3.780 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)[C@H]1CCCOC1 ZINC000543507856 1009096214 /nfs/dbraw/zinc/09/62/14/1009096214.db2.gz LSEVQQZVGQBEHM-MSOLQXFVSA-N 1 0 406.530 3.571 20 30 HHEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000520076552 1009237040 /nfs/dbraw/zinc/23/70/40/1009237040.db2.gz SSDIWMMVYYYQAJ-JOCHJYFZSA-N 1 0 418.541 3.597 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000549676155 1009307541 /nfs/dbraw/zinc/30/75/41/1009307541.db2.gz YFSPLBRJQZWATF-UHFFFAOYSA-N 1 0 415.969 3.723 20 30 HHEDRO C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549688981 1009318551 /nfs/dbraw/zinc/31/85/51/1009318551.db2.gz TZMMDDYIOBBFOM-SIKLNZKXSA-N 1 0 423.561 3.679 20 30 HHEDRO CC(C)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)no1 ZINC000543770862 1009339712 /nfs/dbraw/zinc/33/97/12/1009339712.db2.gz MDHPZSRCDUDEKM-JOCHJYFZSA-N 1 0 416.529 3.955 20 30 HHEDRO Cc1nc([C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2F)no1 ZINC000543769358 1009339895 /nfs/dbraw/zinc/33/98/95/1009339895.db2.gz VLFLARMKNHWZOA-JOCHJYFZSA-N 1 0 405.477 3.732 20 30 HHEDRO COC1CC[NH+](C2(CNC(=O)CCCCOc3cccc(C#N)c3)CCCC2)CC1 ZINC000520316597 1009443424 /nfs/dbraw/zinc/44/34/24/1009443424.db2.gz XZKHREGROKDBKC-UHFFFAOYSA-N 1 0 413.562 3.647 20 30 HHEDRO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125932 1009734565 /nfs/dbraw/zinc/73/45/65/1009734565.db2.gz SQUFHSFUAFNALK-NOZRDPDXSA-N 1 0 416.525 3.882 20 30 HHEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125933 1009734832 /nfs/dbraw/zinc/73/48/32/1009734832.db2.gz SQUFHSFUAFNALK-UKILVPOCSA-N 1 0 416.525 3.882 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000520692221 1009761020 /nfs/dbraw/zinc/76/10/20/1009761020.db2.gz QVCDVDGGFHDKSZ-AWEZNQCLSA-N 1 0 410.356 3.858 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)CC1 ZINC000520693598 1009761667 /nfs/dbraw/zinc/76/16/67/1009761667.db2.gz HEFMLBUSAWZCGC-UHFFFAOYSA-N 1 0 405.546 3.589 20 30 HHEDRO CS[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C[C@H]1[NH+](C)C ZINC000546851804 1009813171 /nfs/dbraw/zinc/81/31/71/1009813171.db2.gz RSWMXLJUOTYVNU-XLIONFOSSA-N 1 0 414.506 3.999 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000544298910 1009917906 /nfs/dbraw/zinc/91/79/06/1009917906.db2.gz DDRDRMAULHRZRR-UHFFFAOYSA-N 1 0 422.529 3.712 20 30 HHEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000520985454 1010025632 /nfs/dbraw/zinc/02/56/32/1010025632.db2.gz ZFEXWQPCRBUBLW-FQEVSTJZSA-N 1 0 408.502 3.565 20 30 HHEDRO CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000544452451 1010076004 /nfs/dbraw/zinc/07/60/04/1010076004.db2.gz RPMRTGATDAYOAR-GJZGRUSLSA-N 1 0 423.007 3.913 20 30 HHEDRO COc1cccc([C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[NH+](C)C)c1 ZINC000521106831 1010127192 /nfs/dbraw/zinc/12/71/92/1010127192.db2.gz UBQDFYXJRFOCKF-JOCHJYFZSA-N 1 0 416.481 3.787 20 30 HHEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000550830584 1010206501 /nfs/dbraw/zinc/20/65/01/1010206501.db2.gz DWBXEUSXZRKOCO-CQSZACIVSA-N 1 0 402.420 3.927 20 30 HHEDRO COc1cc(C#N)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000547415503 1010294295 /nfs/dbraw/zinc/29/42/95/1010294295.db2.gz FHKLVPVRPYCZRT-KRWDZBQOSA-N 1 0 418.419 3.982 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000521367876 1010337672 /nfs/dbraw/zinc/33/76/72/1010337672.db2.gz KYPXSIHDEDVDJU-UHFFFAOYSA-N 1 0 414.513 3.543 20 30 HHEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521370946 1010338261 /nfs/dbraw/zinc/33/82/61/1010338261.db2.gz VYPQBFNNAWOJMV-NRFANRHFSA-N 1 0 400.482 3.648 20 30 HHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000521370947 1010338602 /nfs/dbraw/zinc/33/86/02/1010338602.db2.gz VYPQBFNNAWOJMV-OAQYLSRUSA-N 1 0 400.482 3.648 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000521468735 1010390404 /nfs/dbraw/zinc/39/04/04/1010390404.db2.gz ICGMCYDLGVVDLX-ZEVUXNIQSA-N 1 0 416.532 3.558 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000551166526 1010411501 /nfs/dbraw/zinc/41/15/01/1010411501.db2.gz OJLLZQPEVPRYID-MRXNPFEDSA-N 1 0 411.999 3.544 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000521573625 1010473054 /nfs/dbraw/zinc/47/30/54/1010473054.db2.gz KHJKNTZIIHQOHJ-QHCPKHFHSA-N 1 0 405.542 3.705 20 30 HHEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000544898395 1010473843 /nfs/dbraw/zinc/47/38/43/1010473843.db2.gz NMYNABWGFXVHIH-PGRDOPGGSA-N 1 0 422.598 3.687 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c(OC)c1 ZINC000548026699 1010505389 /nfs/dbraw/zinc/50/53/89/1010505389.db2.gz JMBHYIZVUBSVSL-LJQANCHMSA-N 1 0 403.469 3.616 20 30 HHEDRO COC(=O)CC1([NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCCC1 ZINC000548098871 1010529452 /nfs/dbraw/zinc/52/94/52/1010529452.db2.gz WJWBJLFTROPJIP-UHFFFAOYSA-N 1 0 414.550 3.886 20 30 HHEDRO N#Cc1c(F)cc(CNC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000521685569 1010550176 /nfs/dbraw/zinc/55/01/76/1010550176.db2.gz HDWITUXVXLJGNQ-FQEVSTJZSA-N 1 0 423.385 3.907 20 30 HHEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000521787679 1010618933 /nfs/dbraw/zinc/61/89/33/1010618933.db2.gz ZIVRABYNLFOGAF-UHFFFAOYSA-N 1 0 405.546 3.785 20 30 HHEDRO N#Cc1ccc(C(=O)Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000522540327 1011070039 /nfs/dbraw/zinc/07/00/39/1011070039.db2.gz KVFBEXXNNLIODM-UHFFFAOYSA-N 1 0 411.509 3.570 20 30 HHEDRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C(C)(C)C ZINC000522593164 1011097573 /nfs/dbraw/zinc/09/75/73/1011097573.db2.gz JCQPLYSZZSFFRW-NRFANRHFSA-N 1 0 422.529 3.772 20 30 HHEDRO Cc1ccc(-c2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cs2)n1C ZINC000536118268 1011236392 /nfs/dbraw/zinc/23/63/92/1011236392.db2.gz HCWOPOAOJQXMNJ-UHFFFAOYSA-N 1 0 407.543 3.533 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000540591690 1011248768 /nfs/dbraw/zinc/24/87/68/1011248768.db2.gz KJZZEPXMEQKETR-PKTZIBPZSA-N 1 0 408.521 3.584 20 30 HHEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000540592863 1011249482 /nfs/dbraw/zinc/24/94/82/1011249482.db2.gz RXRNUEOUKKMXAE-HXUWFJFHSA-N 1 0 404.507 3.554 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1OCCCC#N ZINC000540621620 1011272331 /nfs/dbraw/zinc/27/23/31/1011272331.db2.gz GSHPCVBOUFWLBU-KRWDZBQOSA-N 1 0 400.910 3.795 20 30 HHEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000522845746 1011285647 /nfs/dbraw/zinc/28/56/47/1011285647.db2.gz DBYDJXFLYDWIBE-QFIPXVFZSA-N 1 0 408.502 3.925 20 30 HHEDRO CCOc1ccccc1Oc1ccccc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000536299659 1011488478 /nfs/dbraw/zinc/48/84/78/1011488478.db2.gz MDVPRPMTCWCPSE-UHFFFAOYSA-N 1 0 419.485 3.877 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[N@@H+]1CCCC[C@H]1C ZINC000523053541 1011523289 /nfs/dbraw/zinc/52/32/89/1011523289.db2.gz VDQXWNBKYWTTBA-QZTJIDSGSA-N 1 0 420.513 3.668 20 30 HHEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000523083421 1011553408 /nfs/dbraw/zinc/55/34/08/1011553408.db2.gz CXTIGYZSKTWMIG-QZTJIDSGSA-N 1 0 420.513 3.526 20 30 HHEDRO CC(C)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccnc2)no1 ZINC000540984721 1011618031 /nfs/dbraw/zinc/61/80/31/1011618031.db2.gz YMIBLFMSYFJNRV-JOCHJYFZSA-N 1 0 416.529 3.955 20 30 HHEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540993925 1011627591 /nfs/dbraw/zinc/62/75/91/1011627591.db2.gz ZSILUPOOGFRCFY-SFHVURJKSA-N 1 0 419.978 3.866 20 30 HHEDRO CC[N@H+](CCC1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)CC1CC1 ZINC000536736749 1011916129 /nfs/dbraw/zinc/91/61/29/1011916129.db2.gz AUNDDLVZJRBTHO-UHFFFAOYSA-N 1 0 402.970 3.984 20 30 HHEDRO CN1CCO[C@@H]([C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)C1 ZINC000552062332 1012081621 /nfs/dbraw/zinc/08/16/21/1012081621.db2.gz URKJVTOIRRXZQF-DNQXCXABSA-N 1 0 424.976 3.842 20 30 HHEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000523570266 1012112737 /nfs/dbraw/zinc/11/27/37/1012112737.db2.gz PLLJJDYFXVSYQS-QFBILLFUSA-N 1 0 401.507 3.543 20 30 HHEDRO Cc1cc(Br)cc2cc([C@H]([NH2+]CCn3cnc(C#N)n3)C(C)C)oc21 ZINC000552097592 1012114346 /nfs/dbraw/zinc/11/43/46/1012114346.db2.gz IMXCOOYWLBXZSZ-QGZVFWFLSA-N 1 0 402.296 3.954 20 30 HHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552136578 1012155644 /nfs/dbraw/zinc/15/56/44/1012155644.db2.gz CTAWUWCDXCBKQX-YCRPNKLZSA-N 1 0 403.860 3.842 20 30 HHEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)Cc3c(F)cccc3C#N)cc2)C[C@H]1C ZINC000552138237 1012157707 /nfs/dbraw/zinc/15/77/07/1012157707.db2.gz JUAGGADCVNLFLS-KDURUIRLSA-N 1 0 423.532 3.565 20 30 HHEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000552145604 1012166428 /nfs/dbraw/zinc/16/64/28/1012166428.db2.gz VYXBOISMHUQQOY-OXQOHEQNSA-N 1 0 409.313 3.512 20 30 HHEDRO COc1cccc([C@@H]2[C@H](NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000552149122 1012171808 /nfs/dbraw/zinc/17/18/08/1012171808.db2.gz TXXQCGJJRIYGBC-DHIUTWEWSA-N 1 0 419.500 3.832 20 30 HHEDRO C[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)Sc1ccc(Br)cc1 ZINC000523735405 1012355268 /nfs/dbraw/zinc/35/52/68/1012355268.db2.gz KGKCGZVAOXKEBK-SJKOYZFVSA-N 1 0 404.333 3.618 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000537053006 1012380336 /nfs/dbraw/zinc/38/03/36/1012380336.db2.gz ZESCHCBOQSKWBM-LJQANCHMSA-N 1 0 410.562 3.908 20 30 HHEDRO C[NH+](C)Cc1cc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)ccc1F ZINC000523756470 1012382373 /nfs/dbraw/zinc/38/23/73/1012382373.db2.gz SLMSITDXKHIHKL-UHFFFAOYSA-N 1 0 404.445 3.876 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000537058871 1012392062 /nfs/dbraw/zinc/39/20/62/1012392062.db2.gz BLGVXLLHXCETCP-LJQANCHMSA-N 1 0 417.513 3.868 20 30 HHEDRO C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599873 1012394463 /nfs/dbraw/zinc/39/44/63/1012394463.db2.gz RJYJDTRKWWCASI-QYZOEREBSA-N 1 0 400.542 3.703 20 30 HHEDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541636581 1012451531 /nfs/dbraw/zinc/45/15/31/1012451531.db2.gz ADKCIHFBRSUYPJ-KSSFIOAISA-N 1 0 416.591 3.630 20 30 HHEDRO CCOc1ccc(Br)cc1C[N@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000552438950 1012458138 /nfs/dbraw/zinc/45/81/38/1012458138.db2.gz QKXAKRAQVBKRKI-UHFFFAOYSA-N 1 0 408.340 3.574 20 30 HHEDRO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000537109419 1012482094 /nfs/dbraw/zinc/48/20/94/1012482094.db2.gz LYNBNYOMWYULJB-OAQYLSRUSA-N 1 0 406.486 3.534 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000541694530 1012541237 /nfs/dbraw/zinc/54/12/37/1012541237.db2.gz BDDZYANCJYEFMZ-IERDGZPVSA-N 1 0 418.497 3.711 20 30 HHEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000541796543 1012671826 /nfs/dbraw/zinc/67/18/26/1012671826.db2.gz KBJSDCPQXPBXBC-AWEZNQCLSA-N 1 0 400.914 3.591 20 30 HHEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000537278346 1012732935 /nfs/dbraw/zinc/73/29/35/1012732935.db2.gz DISNVMSENYJSBX-XFQAVAEZSA-N 1 0 403.548 3.731 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H](CO)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000537293001 1012750898 /nfs/dbraw/zinc/75/08/98/1012750898.db2.gz UEHROBPWEDQQKN-IBGZPJMESA-N 1 0 415.940 3.756 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000524073054 1012836607 /nfs/dbraw/zinc/83/66/07/1012836607.db2.gz UIDNQAJQLVDELG-UHFFFAOYSA-N 1 0 413.562 3.695 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c1C#N ZINC000541981502 1012852700 /nfs/dbraw/zinc/85/27/00/1012852700.db2.gz QXJSGTPSQAEFMN-JOCHJYFZSA-N 1 0 420.488 3.675 20 30 HHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCC[NH+]2CCCCCC2)n1 ZINC000542030959 1012928495 /nfs/dbraw/zinc/92/84/95/1012928495.db2.gz YIYWBHAQAHCYGB-UHFFFAOYSA-N 1 0 400.914 3.785 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000524144349 1012930251 /nfs/dbraw/zinc/93/02/51/1012930251.db2.gz YRSZOMTZLCLNQK-UHFFFAOYSA-N 1 0 412.452 3.645 20 30 HHEDRO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H]2CCCC[C@@H]12 ZINC000542053145 1012964232 /nfs/dbraw/zinc/96/42/32/1012964232.db2.gz XVCPWNGEHGRVEJ-GHDARCQNSA-N 1 0 424.589 3.867 20 30 HHEDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1CCC#N ZINC000537515595 1013030004 /nfs/dbraw/zinc/03/00/04/1013030004.db2.gz POHBVARBPPTLGV-NHCUHLMSSA-N 1 0 406.534 3.624 20 30 HHEDRO COC(=O)c1coc(C(=O)C(C(=S)NC(C)C)[n+]2ccc(C(C)(C)C)cc2)c1 ZINC000729669263 1071783343 /nfs/dbraw/zinc/78/33/43/1071783343.db2.gz TZCWKRQMEKGVGE-UHFFFAOYSA-O 1 0 403.524 3.588 20 30 HHEDRO CCc1cccc[n+]1C(C(=O)c1cc(C(=O)OC)co1)C(=S)NC1CCCCC1 ZINC000729670154 1071785680 /nfs/dbraw/zinc/78/56/80/1071785680.db2.gz NELCIRRNRZFRCY-UHFFFAOYSA-O 1 0 415.535 3.777 20 30 HHEDRO CC[C@H](C)NC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc2c(c1)CCCC2 ZINC000729670353 1071785064 /nfs/dbraw/zinc/78/50/64/1071785064.db2.gz PKFWWDYLVHOBIJ-AWEZNQCLSA-O 1 0 415.535 3.559 20 30 HHEDRO Cc1cccc(C#N)c1S(=O)(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001211998898 1071862948 /nfs/dbraw/zinc/86/29/48/1071862948.db2.gz OILSIOSPZUCGRF-UHFFFAOYSA-N 1 0 409.555 3.544 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000729812111 1072127225 /nfs/dbraw/zinc/12/72/25/1072127225.db2.gz LXGJZOHSANRHCJ-GOSISDBHSA-N 1 0 416.319 3.506 20 30 HHEDRO C[Si](C)(C)C#CNC(=[NH2+])CC(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001168273936 1072147165 /nfs/dbraw/zinc/14/71/65/1072147165.db2.gz UXMFUOAGUGJAJN-UHFFFAOYSA-N 1 0 419.601 3.799 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000586789631 1072442369 /nfs/dbraw/zinc/44/23/69/1072442369.db2.gz GASNKTRUJYOOSC-QFIPXVFZSA-N 1 0 420.532 3.647 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)CC2)cc1 ZINC000586791929 1072443109 /nfs/dbraw/zinc/44/31/09/1072443109.db2.gz RBZKUFIUEMUCBZ-SFTDATJTSA-N 1 0 403.448 3.651 20 30 HHEDRO N#Cc1ccc(Oc2ccc(-c3noc([C@H]4CCN([C@H]5CC[NH2+]C5)C4)n3)cc2)cc1 ZINC001212112104 1072492909 /nfs/dbraw/zinc/49/29/09/1072492909.db2.gz CHIYZWUJWQBZSD-OALUTQOASA-N 1 0 401.470 3.552 20 30 HHEDRO CC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586874868 1072499285 /nfs/dbraw/zinc/49/92/85/1072499285.db2.gz VTDYDXLMVYNKJF-RBUKOAKNSA-N 1 0 400.954 3.561 20 30 HHEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000587846438 1072707174 /nfs/dbraw/zinc/70/71/74/1072707174.db2.gz HOVSSPGBEXPZNF-KNQAVFIVSA-N 1 0 420.532 3.647 20 30 HHEDRO CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000588023043 1072759984 /nfs/dbraw/zinc/75/99/84/1072759984.db2.gz OHJMPAYYONTQJO-FQEVSTJZSA-N 1 0 414.981 3.951 20 30 HHEDRO C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC[N@@H+](CC)CC1 ZINC000571809608 1072860572 /nfs/dbraw/zinc/86/05/72/1072860572.db2.gz RWWJFRNWWVZITB-UHFFFAOYSA-N 1 0 408.319 3.565 20 30 HHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC)CC1 ZINC000555036761 1073083182 /nfs/dbraw/zinc/08/31/82/1073083182.db2.gz DTWRTUKTSSQGLQ-UHFFFAOYSA-N 1 0 410.566 3.697 20 30 HHEDRO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](Nc1ccc[n+]([O-])c1)c1ccnc2ccc(OC)cc21 ZINC001168383575 1073144933 /nfs/dbraw/zinc/14/49/33/1073144933.db2.gz PILINWOESRFPBY-GXZJQHSTSA-N 1 0 416.525 3.926 20 30 HHEDRO C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572411016 1073254009 /nfs/dbraw/zinc/25/40/09/1073254009.db2.gz ZPBJKEXSRBRTOI-SZPZYZBQSA-N 1 0 417.532 3.762 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555240706 1073284048 /nfs/dbraw/zinc/28/40/48/1073284048.db2.gz NHEQUNRZUWQQTJ-UHFFFAOYSA-N 1 0 416.367 3.958 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000555244170 1073286357 /nfs/dbraw/zinc/28/63/57/1073286357.db2.gz CNKZIFMCXZYFFT-HXUWFJFHSA-N 1 0 419.577 3.875 20 30 HHEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000555247221 1073289452 /nfs/dbraw/zinc/28/94/52/1073289452.db2.gz HPKHWLAYYWXSOR-VXKWHMMOSA-N 1 0 407.562 3.631 20 30 HHEDRO C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000555259135 1073291853 /nfs/dbraw/zinc/29/18/53/1073291853.db2.gz ZUUXCDZJPSYZCT-IBGZPJMESA-N 1 0 423.561 3.605 20 30 HHEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000555256963 1073304692 /nfs/dbraw/zinc/30/46/92/1073304692.db2.gz ZOPIYZGRNHITBI-LJQANCHMSA-N 1 0 418.545 3.808 20 30 HHEDRO C[NH+]1CCC(N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c2ccccc2)CC1 ZINC000588879719 1073325611 /nfs/dbraw/zinc/32/56/11/1073325611.db2.gz HNFVGJBGCLSXAE-LJQANCHMSA-N 1 0 406.505 3.651 20 30 HHEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 ZINC000555390046 1073399784 /nfs/dbraw/zinc/39/97/84/1073399784.db2.gz SGXKYCHCIDZKFI-OAQYLSRUSA-N 1 0 422.577 3.554 20 30 HHEDRO N#Cc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2Cc2cccs2)cc1 ZINC000555431850 1073461729 /nfs/dbraw/zinc/46/17/29/1073461729.db2.gz IMBNZSHIYNUQKZ-HXUWFJFHSA-N 1 0 418.570 3.991 20 30 HHEDRO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000590097756 1073546047 /nfs/dbraw/zinc/54/60/47/1073546047.db2.gz UUHDBGSCTYQABO-TUACAJSNSA-N 1 0 402.542 3.655 20 30 HHEDRO N#CCCC[C@H]([NH2+]Cc1cc(=O)n2cc(Br)ccc2n1)c1ccccc1 ZINC000590121801 1073568933 /nfs/dbraw/zinc/56/89/33/1073568933.db2.gz XQZWYAHKGGMFFW-SFHVURJKSA-N 1 0 411.303 3.982 20 30 HHEDRO N#CC1(NC(=O)C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)CCCCC1 ZINC000555697255 1073743561 /nfs/dbraw/zinc/74/35/61/1073743561.db2.gz LXIWVFNLIZFCLG-UHFFFAOYSA-N 1 0 407.917 3.503 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)CC1 ZINC000555750616 1073793281 /nfs/dbraw/zinc/79/32/81/1073793281.db2.gz LLCGIFQBHPTMEW-QHCPKHFHSA-N 1 0 413.606 3.855 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000555780791 1073828353 /nfs/dbraw/zinc/82/83/53/1073828353.db2.gz BMJPLDQMSLWGGK-UHFFFAOYSA-N 1 0 405.542 3.504 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000555971153 1074014736 /nfs/dbraw/zinc/01/47/36/1074014736.db2.gz GXHRYWIKPTWVAO-NRFANRHFSA-N 1 0 419.569 3.750 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000556016411 1074038056 /nfs/dbraw/zinc/03/80/56/1074038056.db2.gz QDZIELGLEWIJAI-DEOSSOPVSA-N 1 0 419.569 3.899 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000591415671 1074280692 /nfs/dbraw/zinc/28/06/92/1074280692.db2.gz FKNCKWBNHQFQKV-AOYPEHQESA-N 1 0 419.569 3.521 20 30 HHEDRO C[N@H+](CCO)Cc1cc(NCc2cn(CCC#N)nc2-c2ccncc2)ccc1Cl ZINC000573478510 1074523633 /nfs/dbraw/zinc/52/36/33/1074523633.db2.gz PDSVSJDWMRFCHO-UHFFFAOYSA-N 1 0 424.936 3.548 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000573988232 1074749221 /nfs/dbraw/zinc/74/92/21/1074749221.db2.gz CFWGQXRKGXXBIA-VWQFJMCTSA-N 1 0 413.562 3.893 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000594124787 1075264913 /nfs/dbraw/zinc/26/49/13/1075264913.db2.gz KSDBJHKUGARHQA-NBHGPNQESA-N 1 0 413.562 3.604 20 30 HHEDRO COc1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(C#N)c(Cl)n1 ZINC001164389822 718814968 /nfs/dbraw/zinc/81/49/68/718814968.db2.gz ZXTKDGDMSNELCL-AWEZNQCLSA-N 1 0 424.801 3.671 20 30 HHEDRO COc1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(C#N)c(Cl)n1 ZINC001164618327 719046143 /nfs/dbraw/zinc/04/61/43/719046143.db2.gz ANIFBEMOLJQYLF-XLIONFOSSA-N 1 0 418.875 3.744 20 30 HHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)c(C#N)cc2C#N)CC3)cs1 ZINC001164692584 719808672 /nfs/dbraw/zinc/80/86/72/719808672.db2.gz JZKQDBKMSYJULY-UHFFFAOYSA-N 1 0 412.950 3.878 20 30 HHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)c(Cl)c(C)c1C#N)C2 ZINC001164807000 720087066 /nfs/dbraw/zinc/08/70/66/720087066.db2.gz FBNLZMOMNYOZEP-MGPUTAFESA-N 1 0 409.361 3.753 20 30 HHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(C)C)ccc1C#N)CC2 ZINC001164709541 720099493 /nfs/dbraw/zinc/09/94/93/720099493.db2.gz AHXKFPRZMWBIMY-QFIPXVFZSA-N 1 0 419.573 3.979 20 30 HHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3C#C[Si](C)(C)C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842089 720569231 /nfs/dbraw/zinc/56/92/31/720569231.db2.gz WKVGFCUSNNZDQH-RJGXRXQPSA-N 1 0 421.665 3.885 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)ccc1C#N)[C@H]2C ZINC001164858983 720999290 /nfs/dbraw/zinc/99/92/90/720999290.db2.gz JSFQEOPJUGBYSC-KRWDZBQOSA-N 1 0 401.518 3.633 20 30 HHEDRO Cc1cc(C)c2ncc(C#N)c(NCc3cccc(C(=O)NCC[NH+](C)C)c3)c2c1 ZINC000301421937 970920791 /nfs/dbraw/zinc/92/07/91/970920791.db2.gz SMKCZTSZOYGNIG-UHFFFAOYSA-N 1 0 401.514 3.627 20 30 HHEDRO N#Cc1ccc(C(F)(F)F)c(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000302302965 971222840 /nfs/dbraw/zinc/22/28/40/971222840.db2.gz QLQLESIDMSHHBB-SFHVURJKSA-N 1 0 416.447 3.886 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000553116515 1013079312 /nfs/dbraw/zinc/07/93/12/1013079312.db2.gz ZJHPYBBCQKKMPR-HSZRJFAPSA-N 1 0 410.562 3.660 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)CC1 ZINC000303316892 971624307 /nfs/dbraw/zinc/62/43/07/971624307.db2.gz UHHXWLXJLMMDBF-UHFFFAOYSA-N 1 0 404.514 3.602 20 30 HHEDRO CN(C(=O)CN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)C1(C#N)CCCCC1 ZINC000537564252 1013100971 /nfs/dbraw/zinc/10/09/71/1013100971.db2.gz RQRNZOFNLQVOOV-IBGZPJMESA-N 1 0 412.582 3.717 20 30 HHEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)N2CCCC2)cc1 ZINC000303708164 971972459 /nfs/dbraw/zinc/97/24/59/971972459.db2.gz MURWKJQEAUGFEK-IBGZPJMESA-N 1 0 402.926 3.921 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303761884 972011494 /nfs/dbraw/zinc/01/14/94/972011494.db2.gz ORUDMORACBHSDU-UWJYYQICSA-N 1 0 420.557 3.720 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303761879 972011525 /nfs/dbraw/zinc/01/15/25/972011525.db2.gz ORUDMORACBHSDU-DYESRHJHSA-N 1 0 420.557 3.720 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303793944 972031749 /nfs/dbraw/zinc/03/17/49/972031749.db2.gz VJUIKZOJRNSZBW-AUSIDOKSSA-N 1 0 421.589 3.858 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000303856618 972397483 /nfs/dbraw/zinc/39/74/83/972397483.db2.gz LQMQIVSGOTYDSM-LJQANCHMSA-N 1 0 406.530 3.731 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000303865625 972407721 /nfs/dbraw/zinc/40/77/21/972407721.db2.gz BRAKLWDEPMIIMQ-QZTJIDSGSA-N 1 0 408.546 3.986 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000303874234 972415341 /nfs/dbraw/zinc/41/53/41/972415341.db2.gz HAZPJUIZRPKJDO-CQSZACIVSA-N 1 0 403.324 3.711 20 30 HHEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)cc1 ZINC000303874803 972416373 /nfs/dbraw/zinc/41/63/73/972416373.db2.gz DBWBJIOMYJOAOL-LIRRHRJNSA-N 1 0 420.916 3.676 20 30 HHEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000303879072 972420309 /nfs/dbraw/zinc/42/03/09/972420309.db2.gz GKZDBWXTIKMOGK-QGZVFWFLSA-N 1 0 414.575 3.596 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000303884244 972424855 /nfs/dbraw/zinc/42/48/55/972424855.db2.gz JBSPTEGNKKVPMX-NRFANRHFSA-N 1 0 416.953 3.927 20 30 HHEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000303904690 972475842 /nfs/dbraw/zinc/47/58/42/972475842.db2.gz YYWPIZSVPUNRPP-UHFFFAOYSA-N 1 0 419.323 3.992 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553365961 1013304309 /nfs/dbraw/zinc/30/43/09/1013304309.db2.gz BQLITYAZZVBAOK-LAUBAEHRSA-N 1 0 414.912 3.596 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccc(Cl)cc1 ZINC000553365960 1013304504 /nfs/dbraw/zinc/30/45/04/1013304504.db2.gz BQLITYAZZVBAOK-DYESRHJHSA-N 1 0 414.912 3.596 20 30 HHEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1COc2ccccc2O1 ZINC000011225210 962035869 /nfs/dbraw/zinc/03/58/69/962035869.db2.gz OFICHEISRYWQHL-HNNXBMFYSA-N 1 0 411.527 3.599 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)ccc1OC ZINC000537776638 1013339505 /nfs/dbraw/zinc/33/95/05/1013339505.db2.gz LPQHJQCYUHWCJM-INIZCTEOSA-N 1 0 402.441 3.823 20 30 HHEDRO C=CC[C@H]1N(C(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCCC1(C)C ZINC000553451772 1013364631 /nfs/dbraw/zinc/36/46/31/1013364631.db2.gz WAEBNGQYKLYICC-SIKLNZKXSA-N 1 0 411.590 3.922 20 30 HHEDRO CC[C@H](CNC(=O)Nc1cc(C#N)ccc1OCCOC)[N@@H+]1CCc2ccccc2C1 ZINC000542421008 1013372492 /nfs/dbraw/zinc/37/24/92/1013372492.db2.gz DPIKRLLFXNCYSH-OAQYLSRUSA-N 1 0 422.529 3.542 20 30 HHEDRO C=CCSc1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405524 963460758 /nfs/dbraw/zinc/46/07/58/963460758.db2.gz VBPUXIVVTPUNGJ-UHFFFAOYSA-N 1 0 420.582 3.983 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[NH+](C)C)cc1 ZINC000553535964 1013433224 /nfs/dbraw/zinc/43/32/24/1013433224.db2.gz ALIFNPCCTCSZND-QFIPXVFZSA-N 1 0 424.520 3.862 20 30 HHEDRO Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000022360928 963638027 /nfs/dbraw/zinc/63/80/27/963638027.db2.gz BQCZUCDZJHDBTK-SFHVURJKSA-N 1 0 408.571 3.832 20 30 HHEDRO CCc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691536 963698657 /nfs/dbraw/zinc/69/86/57/963698657.db2.gz MFSLMYLGMCAQMR-INIZCTEOSA-O 1 0 405.490 3.522 20 30 HHEDRO CCOc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccccc2CC)cc1 ZINC000022691810 963698795 /nfs/dbraw/zinc/69/87/95/963698795.db2.gz DUNRSDVMKDAFGG-HXUWFJFHSA-O 1 0 413.563 3.643 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)c(C)[nH]1 ZINC000023602941 963858546 /nfs/dbraw/zinc/85/85/46/963858546.db2.gz FFBPKELVKRNSRB-GOSISDBHSA-O 1 0 414.595 3.924 20 30 HHEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc3c(c2)OCCO3)[n+]2ccccc2)c(C)[nH]1 ZINC000023604726 963859624 /nfs/dbraw/zinc/85/96/24/963859624.db2.gz GBCFGAORSBDFOK-UHFFFAOYSA-O 1 0 408.503 3.741 20 30 HHEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000024857416 964092483 /nfs/dbraw/zinc/09/24/83/964092483.db2.gz FAVVVXWZHFTEGX-HXUWFJFHSA-N 1 0 418.541 3.981 20 30 HHEDRO COC(=O)C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCCCC1 ZINC000542529496 1013472046 /nfs/dbraw/zinc/47/20/46/1013472046.db2.gz GSHCPTFVZVIPLW-UZLBHIALSA-N 1 0 403.498 3.562 20 30 HHEDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000051058924 964455628 /nfs/dbraw/zinc/45/56/28/964455628.db2.gz AHURILVKMOIEQK-LEWJYISDSA-N 1 0 412.578 3.567 20 30 HHEDRO C[N@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1cccc(C#N)c1 ZINC000026226984 964493941 /nfs/dbraw/zinc/49/39/41/964493941.db2.gz YRGLQVONCFJYNC-UHFFFAOYSA-N 1 0 402.292 3.660 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc(OC)c1OC ZINC000051239077 964502790 /nfs/dbraw/zinc/50/27/90/964502790.db2.gz UKYVKVZMVCSCMJ-IBGZPJMESA-N 1 0 413.518 3.662 20 30 HHEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc(OC)c1OC ZINC000051300350 964529787 /nfs/dbraw/zinc/52/97/87/964529787.db2.gz ALQUGUVMWZYEKJ-UHFFFAOYSA-N 1 0 415.578 3.886 20 30 HHEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)NCc3ccc(C#N)cc3)s2)cc1 ZINC000542569544 1013510638 /nfs/dbraw/zinc/51/06/38/1013510638.db2.gz OZAJWELHYFONSI-OAHLLOKOSA-N 1 0 420.538 3.966 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc(OC)c1OC ZINC000051674915 964658592 /nfs/dbraw/zinc/65/85/92/964658592.db2.gz HSBMNZTYMFASDS-QGZVFWFLSA-N 1 0 403.548 3.596 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c1C#N ZINC000027120215 964789999 /nfs/dbraw/zinc/78/99/99/964789999.db2.gz MJTCNFHZARWUTF-UHFFFAOYSA-N 1 0 423.536 3.604 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[NH+](C3CCCC3)CC2)sc2c1CCCCC2 ZINC000027118669 964790215 /nfs/dbraw/zinc/79/02/15/964790215.db2.gz FTQUYWUVVUZCBF-UHFFFAOYSA-N 1 0 400.592 3.777 20 30 HHEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC2CC2)[n+]2ccc3c(c2)CCCC3)c1C ZINC000028694343 965163589 /nfs/dbraw/zinc/16/35/89/965163589.db2.gz KTXASEKIAQIKIT-UHFFFAOYSA-O 1 0 410.563 3.691 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cc(C#N)ccc2C)cc1OC ZINC000058452068 965738469 /nfs/dbraw/zinc/73/84/69/965738469.db2.gz JEOSJJJTWKUPCZ-UHFFFAOYSA-N 1 0 410.518 3.918 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1cccs1 ZINC000058560405 965784158 /nfs/dbraw/zinc/78/41/58/965784158.db2.gz GZDQNRPRPJUEFD-AWEZNQCLSA-N 1 0 412.437 3.985 20 30 HHEDRO C=CCOc1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1OC ZINC000031234310 965947940 /nfs/dbraw/zinc/94/79/40/965947940.db2.gz NUUBRVDGMQKLOB-UHFFFAOYSA-N 1 0 423.557 3.511 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000059850193 966035352 /nfs/dbraw/zinc/03/53/52/966035352.db2.gz ZXBNVTMUMHQBKH-SFHVURJKSA-N 1 0 406.555 3.947 20 30 HHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000060439950 966143995 /nfs/dbraw/zinc/14/39/95/966143995.db2.gz YIXUBSPWIGAJLG-UHFFFAOYSA-N 1 0 423.586 3.670 20 30 HHEDRO CC[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477584 966163251 /nfs/dbraw/zinc/16/32/51/966163251.db2.gz OVDKLPVZPIBPEA-SGGRRFJASA-N 1 0 408.546 3.736 20 30 HHEDRO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000056055102 966196282 /nfs/dbraw/zinc/19/62/82/966196282.db2.gz WSGNIFKJVJHSHR-UHFFFAOYSA-N 1 0 405.486 3.566 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000032400677 966242717 /nfs/dbraw/zinc/24/27/17/966242717.db2.gz DXRRQYSAYFEYNB-UHFFFAOYSA-N 1 0 406.555 3.731 20 30 HHEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)ccc1OC ZINC000060926894 966329703 /nfs/dbraw/zinc/32/97/03/966329703.db2.gz LWJJPHPGJWOPKX-IBGZPJMESA-N 1 0 402.560 3.875 20 30 HHEDRO CC(C)Oc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000056477992 966353652 /nfs/dbraw/zinc/35/36/52/966353652.db2.gz XHVBKLHGTJWWCR-UHFFFAOYSA-N 1 0 406.530 3.763 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000036684938 966439871 /nfs/dbraw/zinc/43/98/71/966439871.db2.gz JDTQUFLLZSZEAF-WZONZLPQSA-N 1 0 407.514 3.678 20 30 HHEDRO N#Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1Cl ZINC000061503401 966483248 /nfs/dbraw/zinc/48/32/48/966483248.db2.gz ZUSUTDVSGXVMTG-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO C=CCc1ccc(OCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(OC)c1 ZINC000061568903 966504349 /nfs/dbraw/zinc/50/43/49/966504349.db2.gz UOTQSACGSAFBSQ-UHFFFAOYSA-N 1 0 414.571 3.892 20 30 HHEDRO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000041555683 966594136 /nfs/dbraw/zinc/59/41/36/966594136.db2.gz WZBXHPDBYXNPRK-UHFFFAOYSA-N 1 0 404.514 3.578 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000062128660 966616962 /nfs/dbraw/zinc/61/69/62/966616962.db2.gz OLMJRVCFJYFRSY-KDURUIRLSA-N 1 0 423.582 3.571 20 30 HHEDRO C=CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)Cc1cccc(C#N)c1 ZINC000063300011 966807403 /nfs/dbraw/zinc/80/74/03/966807403.db2.gz VJINNMWBQJZQDQ-UHFFFAOYSA-N 1 0 416.569 3.589 20 30 HHEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccccc1CC ZINC000063440596 966857636 /nfs/dbraw/zinc/85/76/36/966857636.db2.gz NIPYAGGCBLPQFM-UHFFFAOYSA-O 1 0 400.568 3.876 20 30 HHEDRO CC(C)[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccc(C#N)cc1 ZINC000063750557 966946174 /nfs/dbraw/zinc/94/61/74/966946174.db2.gz ATCYYABSVFCOPE-UHFFFAOYSA-N 1 0 405.542 3.633 20 30 HHEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750592 966946274 /nfs/dbraw/zinc/94/62/74/966946274.db2.gz KDODDSBZAUXOBU-UHFFFAOYSA-N 1 0 418.585 3.812 20 30 HHEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000063753469 966947829 /nfs/dbraw/zinc/94/78/29/966947829.db2.gz LHVOWZFPRJGFLT-UHFFFAOYSA-N 1 0 403.482 3.730 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1C(F)(F)F ZINC000538131777 1013693574 /nfs/dbraw/zinc/69/35/74/1013693574.db2.gz PVUUWPWZHDCKBB-MRXNPFEDSA-N 1 0 421.444 3.750 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ncccc3C(F)(F)F)CC2)cc1 ZINC000542840814 1013701802 /nfs/dbraw/zinc/70/18/02/1013701802.db2.gz VPFJKOOKFSAKIF-UHFFFAOYSA-N 1 0 404.436 3.605 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1C)C(C)C ZINC000044357725 967203746 /nfs/dbraw/zinc/20/37/46/967203746.db2.gz XUORZEBWWGBBPM-JOCHJYFZSA-N 1 0 400.567 3.652 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(C#N)cc1 ZINC000064755532 967284949 /nfs/dbraw/zinc/28/49/49/967284949.db2.gz GJTHJZOKQJSRGY-UHFFFAOYSA-N 1 0 404.436 3.850 20 30 HHEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000045184841 967373670 /nfs/dbraw/zinc/37/36/70/967373670.db2.gz XBEXJBIMHMPKLV-UHFFFAOYSA-N 1 0 419.573 3.822 20 30 HHEDRO COc1ccc2cc(CNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000045379621 967442494 /nfs/dbraw/zinc/44/24/94/967442494.db2.gz WATLKVLLQXRVGK-UHFFFAOYSA-N 1 0 416.525 3.993 20 30 HHEDRO N#Cc1ccc(N2CC[NH+](CCCCOc3ccccc3C(F)(F)F)CC2)nc1 ZINC000065448608 967471489 /nfs/dbraw/zinc/47/14/89/967471489.db2.gz MZUFYXXYMCIOGD-UHFFFAOYSA-N 1 0 404.436 3.953 20 30 HHEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000065520201 967504269 /nfs/dbraw/zinc/50/42/69/967504269.db2.gz SSXHFLWCAOBJFY-GOSISDBHSA-N 1 0 405.502 3.662 20 30 HHEDRO Cc1ccccc1-n1nccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000538218205 1013769644 /nfs/dbraw/zinc/76/96/44/1013769644.db2.gz PFFXZNMJAOFMQH-UHFFFAOYSA-N 1 0 414.513 3.792 20 30 HHEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000047522532 968220998 /nfs/dbraw/zinc/22/09/98/968220998.db2.gz DTAVFKYVBKWEBG-INIZCTEOSA-N 1 0 406.530 3.809 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000048146693 968456166 /nfs/dbraw/zinc/45/61/66/968456166.db2.gz KLZOEUDLRAWSQZ-UHFFFAOYSA-N 1 0 417.431 3.734 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048160244 968462605 /nfs/dbraw/zinc/46/26/05/968462605.db2.gz PBUQEYGMLDWKMG-JOCHJYFZSA-N 1 0 406.530 3.561 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 ZINC000538257701 1013799408 /nfs/dbraw/zinc/79/94/08/1013799408.db2.gz OHEWVKCTPNVQFO-SFHVURJKSA-N 1 0 406.935 3.979 20 30 HHEDRO C=CCC[C@H]([NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccccc1 ZINC000538259398 1013801213 /nfs/dbraw/zinc/80/12/13/1013801213.db2.gz GMPGHBYOKAXTIZ-YADHBBJMSA-N 1 0 418.603 3.632 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cnn1-c1cccc(C)c1 ZINC000065930657 968720695 /nfs/dbraw/zinc/72/06/95/968720695.db2.gz LWDKOUDKHMPLRN-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO C/C=C/c1ccc(OCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000065931387 968721793 /nfs/dbraw/zinc/72/17/93/968721793.db2.gz MEHSUSFCZSUSJR-FNORWQNLSA-N 1 0 407.514 3.569 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000065936348 968724626 /nfs/dbraw/zinc/72/46/26/968724626.db2.gz YFFMGDAHQOOYQT-INIZCTEOSA-N 1 0 419.447 3.935 20 30 HHEDRO COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000071812402 968861511 /nfs/dbraw/zinc/86/15/11/968861511.db2.gz CKWFUCHDWAAHDZ-GOSISDBHSA-N 1 0 413.543 3.597 20 30 HHEDRO N#Cc1ccccc1N1CCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000097428607 969137117 /nfs/dbraw/zinc/13/71/17/969137117.db2.gz IQMJWJUEBVBELV-QHCPKHFHSA-N 1 0 417.557 3.617 20 30 HHEDRO CCOc1ccc(NC(=O)[C@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000097571462 969166094 /nfs/dbraw/zinc/16/60/94/969166094.db2.gz ZVFBLCMKWZBLQK-SFHVURJKSA-N 1 0 424.545 3.735 20 30 HHEDRO C[C@@H](ON=C(N)c1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000097571488 969166112 /nfs/dbraw/zinc/16/61/12/969166112.db2.gz OETSJESOOUFQAS-OAHLLOKOSA-N 1 0 416.472 3.615 20 30 HHEDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000108975836 969443173 /nfs/dbraw/zinc/44/31/73/969443173.db2.gz IIEHFRTYZLQRRA-RTWAWAEBSA-N 1 0 412.578 3.567 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000110000618 969607364 /nfs/dbraw/zinc/60/73/64/969607364.db2.gz ADFVUUHANDNTEZ-GOSISDBHSA-N 1 0 419.460 3.956 20 30 HHEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112544487 969815277 /nfs/dbraw/zinc/81/52/77/969815277.db2.gz ITSKDHZSFYFFBJ-QFBILLFUSA-N 1 0 400.523 3.655 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2)cc1 ZINC000112681270 969824376 /nfs/dbraw/zinc/82/43/76/969824376.db2.gz FSIINMXNUFWQDT-FQEVSTJZSA-N 1 0 408.502 3.709 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000195660518 969938884 /nfs/dbraw/zinc/93/88/84/969938884.db2.gz TVBMOPYQHZJCIY-DNQXCXABSA-N 1 0 420.557 3.799 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccccc2S(=O)(=O)CCC)CC1 ZINC000216989962 970082442 /nfs/dbraw/zinc/08/24/42/970082442.db2.gz RRJZVPJJEJOSFA-QGZVFWFLSA-N 1 0 424.632 3.508 20 30 HHEDRO CCOc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000236971557 970196717 /nfs/dbraw/zinc/19/67/17/970196717.db2.gz MHVYAPFBNCGIIB-UHFFFAOYSA-N 1 0 407.514 3.638 20 30 HHEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237009418 970206726 /nfs/dbraw/zinc/20/67/26/970206726.db2.gz FEQAZJHTUROZCJ-QZTJIDSGSA-N 1 0 415.559 3.859 20 30 HHEDRO COc1cc(C[NH2+]CCOc2ccc(C#N)cc2)ccc1OCc1c(C)noc1C ZINC000237181400 970236578 /nfs/dbraw/zinc/23/65/78/970236578.db2.gz GNIMBMBLAOQCEI-UHFFFAOYSA-N 1 0 407.470 3.919 20 30 HHEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1 ZINC000237213159 970243327 /nfs/dbraw/zinc/24/33/27/970243327.db2.gz MPLHSJIXUXYJIH-UHFFFAOYSA-N 1 0 407.514 3.603 20 30 HHEDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000237315689 970261640 /nfs/dbraw/zinc/26/16/40/970261640.db2.gz GRPVZQCVKOIPKZ-UHFFFAOYSA-N 1 0 406.486 3.779 20 30 HHEDRO COc1ccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)cc1OCCCC#N ZINC000237390909 970276017 /nfs/dbraw/zinc/27/60/17/970276017.db2.gz URIVSTRSXSSJNU-UHFFFAOYSA-N 1 0 400.450 3.716 20 30 HHEDRO C=CCc1cc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cc(OC)c1O ZINC000237454795 970291533 /nfs/dbraw/zinc/29/15/33/970291533.db2.gz FAJYCHVVTUBYGE-NRFANRHFSA-N 1 0 416.949 3.946 20 30 HHEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1 ZINC000237598815 970320355 /nfs/dbraw/zinc/32/03/55/970320355.db2.gz PFPANJOSLVFPAN-GOSISDBHSA-N 1 0 400.482 3.939 20 30 HHEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c(-c2ccccc2)n1 ZINC000237831147 970376478 /nfs/dbraw/zinc/37/64/78/970376478.db2.gz ZPGQWNJSCFIRFF-NRFANRHFSA-N 1 0 421.570 3.688 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000237838115 970378926 /nfs/dbraw/zinc/37/89/26/970378926.db2.gz OLPONNWXYSCFDB-UHFFFAOYSA-N 1 0 401.514 3.787 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)COc3ccc(F)c(F)c3)c2)c1 ZINC000238070349 970434186 /nfs/dbraw/zinc/43/41/86/970434186.db2.gz BQEBBGKZZFVCKC-FQEVSTJZSA-N 1 0 424.447 3.945 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000238127061 970444470 /nfs/dbraw/zinc/44/44/70/970444470.db2.gz NXEQDOSUBLQCTQ-UHFFFAOYSA-N 1 0 406.530 3.562 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](CO)C2CCCCC2)c1C#N ZINC000554635781 1013995442 /nfs/dbraw/zinc/99/54/42/1013995442.db2.gz MIQBDXGPHKRSHU-OAQYLSRUSA-N 1 0 412.509 3.574 20 30 HHEDRO Cc1noc2nc(C(C)C)cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c12 ZINC000195592402 970535153 /nfs/dbraw/zinc/53/51/53/970535153.db2.gz QETVBMKOBUHRKB-UHFFFAOYSA-N 1 0 405.502 3.730 20 30 HHEDRO C[NH+]1CCN(C[C@@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)c2ccccc2)CC1 ZINC000261398318 970650423 /nfs/dbraw/zinc/65/04/23/970650423.db2.gz OQSIFUWKDQTWOF-JOCHJYFZSA-N 1 0 405.546 3.598 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000261462114 970700573 /nfs/dbraw/zinc/70/05/73/970700573.db2.gz QKLXQMSCCOKMTG-UHFFFAOYSA-N 1 0 403.324 3.610 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000303979914 972565209 /nfs/dbraw/zinc/56/52/09/972565209.db2.gz NPSUEVPHGNAESW-UHFFFAOYSA-N 1 0 405.296 3.522 20 30 HHEDRO Cc1nccn1-c1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1F ZINC000304486192 972601235 /nfs/dbraw/zinc/60/12/35/972601235.db2.gz KBGXNXPIGOMTTG-UHFFFAOYSA-N 1 0 421.398 3.823 20 30 HHEDRO CC(C)C(=O)Nc1ccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000304505316 972602975 /nfs/dbraw/zinc/60/29/75/972602975.db2.gz UHNPVZZLEIGIGK-UHFFFAOYSA-N 1 0 408.424 3.784 20 30 HHEDRO COc1ccc(NC(=[NH2+])NCCSCCOc2cccc(Br)c2)cc1 ZINC000304749074 972604216 /nfs/dbraw/zinc/60/42/16/972604216.db2.gz HLMQLRMPUUPGQU-UHFFFAOYSA-N 1 0 424.364 3.997 20 30 HHEDRO Cc1ccc(-n2nc(CCCNC(=[NH2+])Nc3ccc(C)c(C)c3)c(C#N)c2N)cc1 ZINC000304792712 972606983 /nfs/dbraw/zinc/60/69/83/972606983.db2.gz LGDYXBLLMMRFNU-UHFFFAOYSA-N 1 0 401.518 3.611 20 30 HHEDRO COc1ccc(OC(F)F)c(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304997402 972608187 /nfs/dbraw/zinc/60/81/87/972608187.db2.gz GDPBEFZVUXAORE-UHFFFAOYSA-N 1 0 419.350 3.800 20 30 HHEDRO COc1ccc(-n2cc(CNC(=[NH2+])N[C@H](C)c3ccc(Cl)cc3Cl)nn2)cc1 ZINC000304961506 972608424 /nfs/dbraw/zinc/60/84/24/972608424.db2.gz ZHEQPPKSELCQAJ-GFCCVEGCSA-N 1 0 419.316 3.748 20 30 HHEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379704690 972771793 /nfs/dbraw/zinc/77/17/93/972771793.db2.gz KBGLQDZSRNQAMW-MAUKXSAKSA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379703626 972771852 /nfs/dbraw/zinc/77/18/52/972771852.db2.gz FYXSSCKRLLLQIA-CRAIPNDOSA-N 1 0 403.935 3.543 20 30 HHEDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000379704725 972773957 /nfs/dbraw/zinc/77/39/57/972773957.db2.gz KIHWVTTXWVLBLW-MAUKXSAKSA-N 1 0 403.935 3.543 20 30 HHEDRO C=CC[N@H+](Cc1ccc(O)c2nc(C)ccc12)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000554820294 1014058319 /nfs/dbraw/zinc/05/83/19/1014058319.db2.gz QLIXLDCKLVSQLD-QGZVFWFLSA-N 1 0 400.486 3.974 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)cc2)C1 ZINC000409460168 972905786 /nfs/dbraw/zinc/90/57/86/972905786.db2.gz ZNFRZCZRWUWMJX-IBGZPJMESA-N 1 0 413.525 3.906 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(C#N)cc1 ZINC000554844296 1014072016 /nfs/dbraw/zinc/07/20/16/1014072016.db2.gz SWASYBWJBYBWTG-HTAPYJJXSA-N 1 0 410.949 3.816 20 30 HHEDRO C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)NC1(C#N)CCCCC1 ZINC000409874141 973340694 /nfs/dbraw/zinc/34/06/94/973340694.db2.gz KBMYQQRQQZHBDW-CZUORRHYSA-N 1 0 406.324 3.593 20 30 HHEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409938453 973402320 /nfs/dbraw/zinc/40/23/20/973402320.db2.gz QIPFXYBIAFBEEF-HSZRJFAPSA-N 1 0 401.514 3.630 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000410144290 973631497 /nfs/dbraw/zinc/63/14/97/973631497.db2.gz GNBBCEPQZNEEPO-UHFFFAOYSA-N 1 0 422.426 3.990 20 30 HHEDRO CN(CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425986744 974097874 /nfs/dbraw/zinc/09/78/74/974097874.db2.gz XLBJHMXARISKLM-QFIPXVFZSA-N 1 0 418.459 3.506 20 30 HHEDRO COc1cc(C[NH+]2CCC(O)(C(F)F)CC2)ccc1OCc1cccc(C#N)c1 ZINC000426246759 974341487 /nfs/dbraw/zinc/34/14/87/974341487.db2.gz WDSHREOEYPVYIT-UHFFFAOYSA-N 1 0 402.441 3.738 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2cc(NCc3ccccc3)nc3ccccc32)CC1 ZINC000427959834 975367051 /nfs/dbraw/zinc/36/70/51/975367051.db2.gz YVLSCGPOZOTUEI-UHFFFAOYSA-N 1 0 400.526 4.227 20 30 HHEDRO CCOc1nc(C(F)(F)F)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000428188815 975516930 /nfs/dbraw/zinc/51/69/30/975516930.db2.gz AVJSRWQHIJIGHS-UHFFFAOYSA-N 1 0 420.435 3.575 20 30 HHEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000428488074 975787221 /nfs/dbraw/zinc/78/72/21/975787221.db2.gz YSESKYQBOMGKTF-GOSISDBHSA-N 1 0 400.544 3.984 20 30 HHEDRO Cn1cc(C[NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)c(-c2ccc(C#N)cc2)n1 ZINC000428572570 975883985 /nfs/dbraw/zinc/88/39/85/975883985.db2.gz NCHKYMBSGSHDMJ-NOZRDPDXSA-N 1 0 418.516 3.961 20 30 HHEDRO N#CCC[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000428963126 976251431 /nfs/dbraw/zinc/25/14/31/976251431.db2.gz CBYNAJORJONLNJ-PKTZIBPZSA-N 1 0 406.530 3.622 20 30 HHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H](C)C1 ZINC000428988719 976270228 /nfs/dbraw/zinc/27/02/28/976270228.db2.gz CBMHHZOCSBJDHG-AXVVYFOYSA-N 1 0 414.619 3.735 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429022714 976303837 /nfs/dbraw/zinc/30/38/37/976303837.db2.gz CNXKRDCMOKBFJF-FQEVSTJZSA-N 1 0 420.513 3.845 20 30 HHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2)cc1 ZINC000429052409 976338954 /nfs/dbraw/zinc/33/89/54/976338954.db2.gz AHUOZMBXCHOSHX-LJQANCHMSA-N 1 0 406.486 3.537 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000429134695 976421476 /nfs/dbraw/zinc/42/14/76/976421476.db2.gz RJZLSQFGDIGQFC-KSFYIVLOSA-N 1 0 413.543 3.686 20 30 HHEDRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000429147367 976434565 /nfs/dbraw/zinc/43/45/65/976434565.db2.gz FCORVPIGRSMJIK-HNNXBMFYSA-N 1 0 400.885 3.890 20 30 HHEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1OCCc2sccc21 ZINC000429192804 976483694 /nfs/dbraw/zinc/48/36/94/976483694.db2.gz SBCXRQVCPBASQH-VBKZILBWSA-N 1 0 422.472 3.527 20 30 HHEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)NCc2cccc(C#N)c2)ccc1Br ZINC000429258698 976546552 /nfs/dbraw/zinc/54/65/52/976546552.db2.gz IGQYYZQTMZFNLH-UHFFFAOYSA-N 1 0 414.347 3.856 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000429353068 976617939 /nfs/dbraw/zinc/61/79/39/976617939.db2.gz JBJIEQREFNBCHN-XMMPIXPASA-N 1 0 406.530 3.779 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000429491762 976749003 /nfs/dbraw/zinc/74/90/03/976749003.db2.gz MQSQTEUNYFVOLY-BGYRXZFFSA-N 1 0 415.578 3.672 20 30 HHEDRO C=CCOc1ccccc1CNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000429491763 976749308 /nfs/dbraw/zinc/74/93/08/976749308.db2.gz MQSQTEUNYFVOLY-PMACEKPBSA-N 1 0 415.578 3.672 20 30 HHEDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000429589531 976866936 /nfs/dbraw/zinc/86/69/36/976866936.db2.gz DSXLKIFZPBMWCX-UHFFFAOYSA-N 1 0 401.514 3.845 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)[NH+]2CCCC2)o1 ZINC000429672678 976972057 /nfs/dbraw/zinc/97/20/57/976972057.db2.gz SCAUGNPZBQYGJU-NRFANRHFSA-N 1 0 417.513 3.932 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429724859 977014906 /nfs/dbraw/zinc/01/49/06/977014906.db2.gz XQUNJHZLYGBVEX-PMACEKPBSA-N 1 0 407.562 3.952 20 30 HHEDRO C=CCn1c(=O)c2ccccc2nc1SC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000430118129 977327834 /nfs/dbraw/zinc/32/78/34/977327834.db2.gz GDHPDUDMSQINGU-FQEVSTJZSA-N 1 0 421.566 3.966 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)nc1 ZINC000430167866 977363328 /nfs/dbraw/zinc/36/33/28/977363328.db2.gz NBONYECDLDBTQU-LJQANCHMSA-N 1 0 424.302 3.555 20 30 HHEDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCc1cccnc1 ZINC000430174054 977369226 /nfs/dbraw/zinc/36/92/26/977369226.db2.gz UYDNEEWRTSEMQS-OAQYLSRUSA-N 1 0 416.481 3.589 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)nc1 ZINC000430185812 977377869 /nfs/dbraw/zinc/37/78/69/977377869.db2.gz KHDNDKYKECLOBV-HSZRJFAPSA-N 1 0 422.492 3.854 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+](CCc3ccccc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430747911 977726358 /nfs/dbraw/zinc/72/63/58/977726358.db2.gz BDGJLWOLFBKCNF-DEOSSOPVSA-N 1 0 417.553 3.755 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cccc(SCC#N)c3)CC2)c1 ZINC000430776375 977749983 /nfs/dbraw/zinc/74/99/83/977749983.db2.gz JKXPIMIUKLGDMI-UHFFFAOYSA-N 1 0 408.571 3.553 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430975989 977922710 /nfs/dbraw/zinc/92/27/10/977922710.db2.gz DMLGOMXNKUOLCT-QHCPKHFHSA-N 1 0 403.526 3.713 20 30 HHEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCSCc2ccccc2C#N)[C@H](C(F)(F)F)C1 ZINC000431031041 977965463 /nfs/dbraw/zinc/96/54/63/977965463.db2.gz UHWLCIDNEZITKK-IAGOWNOFSA-N 1 0 413.509 3.816 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000431399564 978273906 /nfs/dbraw/zinc/27/39/06/978273906.db2.gz AAFAFJQGOXYCNR-AVRDEDQJSA-N 1 0 406.530 3.777 20 30 HHEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000431585095 978369656 /nfs/dbraw/zinc/36/96/56/978369656.db2.gz YDUIGCCQPIEFQH-UHFFFAOYSA-N 1 0 404.301 3.654 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431671084 978424982 /nfs/dbraw/zinc/42/49/82/978424982.db2.gz BQSPZOYOVYCEDJ-YKSBVNFPSA-N 1 0 420.557 3.769 20 30 HHEDRO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431977750 978627660 /nfs/dbraw/zinc/62/76/60/978627660.db2.gz PMQZUIYWWJYXTJ-URXFXBBRSA-N 1 0 419.573 3.931 20 30 HHEDRO N#Cc1ccc(OCCNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000431984542 978631679 /nfs/dbraw/zinc/63/16/79/978631679.db2.gz CMCIKRHPZPVBFZ-UHFFFAOYSA-N 1 0 418.541 3.635 20 30 HHEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000432033361 978654323 /nfs/dbraw/zinc/65/43/23/978654323.db2.gz OQJUWFDYKJLFOL-UHFFFAOYSA-N 1 0 424.570 3.965 20 30 HHEDRO C[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000432192557 978707789 /nfs/dbraw/zinc/70/77/89/978707789.db2.gz NPYLRUHGXVUBFI-HXUWFJFHSA-N 1 0 418.541 3.790 20 30 HHEDRO N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000432531949 978868617 /nfs/dbraw/zinc/86/86/17/978868617.db2.gz QHYVYZYLBMFAKS-GOSISDBHSA-N 1 0 424.570 3.757 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)C1CCC(F)(F)CC1 ZINC000432726341 978950943 /nfs/dbraw/zinc/95/09/43/978950943.db2.gz DYCADQUUFUHZES-UHFFFAOYSA-N 1 0 412.550 3.979 20 30 HHEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)C2)C1 ZINC000432918304 979011253 /nfs/dbraw/zinc/01/12/53/979011253.db2.gz OHQPNBADDVRSQB-DEOSSOPVSA-N 1 0 404.514 3.891 20 30 HHEDRO COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1)CC2 ZINC000433019705 979043739 /nfs/dbraw/zinc/04/37/39/979043739.db2.gz KZKIKTKDHDJNJI-OAQYLSRUSA-N 1 0 407.514 3.613 20 30 HHEDRO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433021846 979044352 /nfs/dbraw/zinc/04/43/52/979044352.db2.gz SBQVUSOOTMQYND-NRFANRHFSA-N 1 0 406.530 3.691 20 30 HHEDRO CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433021787 979044474 /nfs/dbraw/zinc/04/44/74/979044474.db2.gz YNJNALGRRCESHY-NRFANRHFSA-N 1 0 407.514 3.831 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ncc(C)s3)CC2)c(OC)c1 ZINC000433168692 979113245 /nfs/dbraw/zinc/11/32/45/979113245.db2.gz SYSLRZIWFCVNDW-IBGZPJMESA-N 1 0 402.560 3.808 20 30 HHEDRO O[C@@H](COCC(F)(F)F)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000433194541 979133891 /nfs/dbraw/zinc/13/38/91/979133891.db2.gz XLLGCPQGOPKERH-GFCCVEGCSA-N 1 0 419.337 3.786 20 30 HHEDRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000433313386 979230492 /nfs/dbraw/zinc/23/04/92/979230492.db2.gz PUZJXDGMJJARSI-OAQYLSRUSA-N 1 0 416.529 3.626 20 30 HHEDRO Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433312975 979230614 /nfs/dbraw/zinc/23/06/14/979230614.db2.gz OEOAXHIEDJOJDU-UHFFFAOYSA-N 1 0 415.476 3.782 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)c(-c2ccncc2)n1 ZINC000433312847 979230673 /nfs/dbraw/zinc/23/06/73/979230673.db2.gz SJAPSKDPJHHSES-UHFFFAOYSA-N 1 0 415.545 3.924 20 30 HHEDRO Cc1cc(C)n(-c2ccccc2C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1 ZINC000433327184 979239187 /nfs/dbraw/zinc/23/91/87/979239187.db2.gz NRFJVFAYZSYOKZ-UHFFFAOYSA-N 1 0 411.513 3.951 20 30 HHEDRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433334385 979243707 /nfs/dbraw/zinc/24/37/07/979243707.db2.gz HKHRWNNFFIWQTH-IBGZPJMESA-N 1 0 415.545 3.569 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433346951 979252757 /nfs/dbraw/zinc/25/27/57/979252757.db2.gz JIBNECBPEHGMCO-CTNGQTDRSA-N 1 0 422.548 3.917 20 30 HHEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433366817 979257837 /nfs/dbraw/zinc/25/78/37/979257837.db2.gz OVDLVKQIXGJNNZ-DHIUTWEWSA-N 1 0 405.542 3.978 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCO1 ZINC000433487835 979332395 /nfs/dbraw/zinc/33/23/95/979332395.db2.gz LGUFNVZIAZUIMA-SFHVURJKSA-N 1 0 408.502 3.973 20 30 HHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000434784733 980397692 /nfs/dbraw/zinc/39/76/92/980397692.db2.gz DLJRFEWWWGVKFN-RTBURBONSA-N 1 0 407.514 3.970 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(F)c(Cl)cc3F)CC2)cc1 ZINC000434869839 980459049 /nfs/dbraw/zinc/45/90/49/980459049.db2.gz AMKJQKNVPZAWNC-UHFFFAOYSA-N 1 0 418.875 3.907 20 30 HHEDRO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000435025375 980580593 /nfs/dbraw/zinc/58/05/93/980580593.db2.gz ISRWIXVUWYDVHI-ILBGXUMGSA-N 1 0 403.526 3.760 20 30 HHEDRO N#Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)c(Cl)c1 ZINC000436173949 981234512 /nfs/dbraw/zinc/23/45/12/981234512.db2.gz UGOLFDRTTCGBPP-UHFFFAOYSA-N 1 0 422.960 3.772 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436226505 981258944 /nfs/dbraw/zinc/25/89/44/981258944.db2.gz INZVRYIITHPYRJ-UHFFFAOYSA-N 1 0 424.504 3.757 20 30 HHEDRO Cn1cc([C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2cccc(F)c2)cn1 ZINC000437102800 981761704 /nfs/dbraw/zinc/76/17/04/981761704.db2.gz XTXBMINIBNBCHL-HRTMPFAESA-N 1 0 405.477 3.895 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000437105313 981763419 /nfs/dbraw/zinc/76/34/19/981763419.db2.gz ITFKHWIKZOXTJP-DLQXEOFGSA-N 1 0 420.557 3.695 20 30 HHEDRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437107866 981764921 /nfs/dbraw/zinc/76/49/21/981764921.db2.gz LMWARQAPTHCQHW-IWAAJCSBSA-N 1 0 420.557 3.615 20 30 HHEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448463938 981798210 /nfs/dbraw/zinc/79/82/10/981798210.db2.gz DXXFUXXBOMAXAI-YLJYHZDGSA-N 1 0 405.464 3.715 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1OC ZINC000448468595 981807360 /nfs/dbraw/zinc/80/73/60/981807360.db2.gz VKKOOEGDOHDXRB-FPOVZHCZSA-N 1 0 413.562 3.591 20 30 HHEDRO CCCN(C(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437350551 982001263 /nfs/dbraw/zinc/00/12/63/982001263.db2.gz XHXBTXLDQRORSC-HXUWFJFHSA-N 1 0 422.504 3.539 20 30 HHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460350647 982123128 /nfs/dbraw/zinc/12/31/28/982123128.db2.gz WWWDOMRGGBSYGV-UHFFFAOYSA-N 1 0 418.501 3.985 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000460358234 982132552 /nfs/dbraw/zinc/13/25/52/982132552.db2.gz LHCCTEWZWCNKDH-IAGOWNOFSA-N 1 0 410.949 3.896 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460382248 982161044 /nfs/dbraw/zinc/16/10/44/982161044.db2.gz UNZVIVQSVVESRW-UHFFFAOYSA-N 1 0 404.356 3.816 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000437721947 982317793 /nfs/dbraw/zinc/31/77/93/982317793.db2.gz IKVSVNZZDDRCLJ-DWLFOUALSA-N 1 0 401.551 3.503 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460545553 982331796 /nfs/dbraw/zinc/33/17/96/982331796.db2.gz AGLZMRIMQUWVPU-NNWRFLSQSA-N 1 0 409.578 3.847 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460556496 982342851 /nfs/dbraw/zinc/34/28/51/982342851.db2.gz SPGLGRNSQSPDNM-PKOBYXMFSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460559944 982345814 /nfs/dbraw/zinc/34/58/14/982345814.db2.gz NKVODHLUTYRKOP-IBGZPJMESA-N 1 0 411.550 3.505 20 30 HHEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000460562802 982348539 /nfs/dbraw/zinc/34/85/39/982348539.db2.gz IGOFFYGDOCJNDM-XZOQPEGZSA-N 1 0 422.621 3.612 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460574414 982358202 /nfs/dbraw/zinc/35/82/02/982358202.db2.gz NAIPSBGCSLHTMS-KNQAVFIVSA-N 1 0 419.577 3.873 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460576856 982361135 /nfs/dbraw/zinc/36/11/35/982361135.db2.gz RFRYFVMEPPRQQG-OALUTQOASA-N 1 0 411.550 3.505 20 30 HHEDRO CCOc1ccc(C#N)cc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000437835420 982392552 /nfs/dbraw/zinc/39/25/52/982392552.db2.gz OOJJJZOVNKGNNR-UHFFFAOYSA-N 1 0 423.517 3.751 20 30 HHEDRO CCOc1cccc([C@@H]2C[C@H]2NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000437850873 982407614 /nfs/dbraw/zinc/40/76/14/982407614.db2.gz IGMKGDXIFBTWSJ-BJKOFHAPSA-N 1 0 418.541 3.730 20 30 HHEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000437890862 982441220 /nfs/dbraw/zinc/44/12/20/982441220.db2.gz QOEIOWBOYDFTNN-NRFANRHFSA-N 1 0 405.502 3.759 20 30 HHEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000437954961 982485873 /nfs/dbraw/zinc/48/58/73/982485873.db2.gz LMMMPDQLVIBDDN-SZVBFZGTSA-N 1 0 412.452 3.594 20 30 HHEDRO CCOCCCn1c([C@@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460795131 982547854 /nfs/dbraw/zinc/54/78/54/982547854.db2.gz YOGVQSVDKBACIU-FQEVSTJZSA-N 1 0 424.593 3.802 20 30 HHEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460800380 982552550 /nfs/dbraw/zinc/55/25/50/982552550.db2.gz DJWQJRSJMGQJAW-RDGATRHJSA-N 1 0 421.589 3.851 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460928177 982666237 /nfs/dbraw/zinc/66/62/37/982666237.db2.gz AICNVEGBOFKALM-ROUUACIJSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460945355 982681301 /nfs/dbraw/zinc/68/13/01/982681301.db2.gz AFSBMLGHPZDJDJ-MJGOQNOKSA-N 1 0 413.566 3.847 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460960129 982691975 /nfs/dbraw/zinc/69/19/75/982691975.db2.gz PGVMLIIBPOFDNC-YLJYHZDGSA-N 1 0 413.566 3.705 20 30 HHEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460961429 982692803 /nfs/dbraw/zinc/69/28/03/982692803.db2.gz VQNCZRPVPNWESZ-UHFFFAOYSA-N 1 0 420.536 3.691 20 30 HHEDRO Cc1nn2c(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)c(C(C)C)nc2s1 ZINC000438461092 982813660 /nfs/dbraw/zinc/81/36/60/982813660.db2.gz DIZZOKUJLVTBDR-UHFFFAOYSA-N 1 0 410.547 3.969 20 30 HHEDRO Cc1nc(SCC(=O)N(CC[NH+](C)C)Cc2cccs2)c(C#N)c(C)c1C ZINC000438541666 982879759 /nfs/dbraw/zinc/87/97/59/982879759.db2.gz RSSKUAKRCCRTPY-UHFFFAOYSA-N 1 0 402.589 3.623 20 30 HHEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 ZINC000461301157 983001382 /nfs/dbraw/zinc/00/13/82/983001382.db2.gz ZLEYYVMIERSWKQ-YLJYHZDGSA-N 1 0 418.570 3.990 20 30 HHEDRO Cc1cc(C)cc(Oc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2)c1 ZINC000438752459 983045571 /nfs/dbraw/zinc/04/55/71/983045571.db2.gz GKZDHCOEJXTPNG-UHFFFAOYSA-N 1 0 422.529 3.728 20 30 HHEDRO N#Cc1ccc(CSCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461441994 983106772 /nfs/dbraw/zinc/10/67/72/983106772.db2.gz CXUSPUYUUWVLFS-DHIUTWEWSA-N 1 0 405.567 3.772 20 30 HHEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 ZINC000461484411 983139873 /nfs/dbraw/zinc/13/98/73/983139873.db2.gz FPKFDKWAYODSOG-XLIONFOSSA-N 1 0 418.570 3.990 20 30 HHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461497563 983148967 /nfs/dbraw/zinc/14/89/67/983148967.db2.gz PYWADARHGYRGHS-IAGOWNOFSA-N 1 0 406.559 3.845 20 30 HHEDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439328173 983367523 /nfs/dbraw/zinc/36/75/23/983367523.db2.gz WXRWTRWXZKMQJA-FCEUIQTBSA-N 1 0 422.598 3.725 20 30 HHEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cc1 ZINC000439565939 983452736 /nfs/dbraw/zinc/45/27/36/983452736.db2.gz FHFNXHRMXDXEJP-SFHVURJKSA-N 1 0 409.530 3.906 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(OC)c1 ZINC000439741659 983521616 /nfs/dbraw/zinc/52/16/16/983521616.db2.gz RPOFORXSLLRZCU-SFHVURJKSA-N 1 0 409.530 3.539 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000440048989 983625088 /nfs/dbraw/zinc/62/50/88/983625088.db2.gz WDHSWJZWXHOBKC-UGKGYDQZSA-N 1 0 421.541 3.701 20 30 HHEDRO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000440076171 983634504 /nfs/dbraw/zinc/63/45/04/983634504.db2.gz PVGVPMUDWMHBJE-UHFFFAOYSA-N 1 0 415.534 3.549 20 30 HHEDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000440608844 983815344 /nfs/dbraw/zinc/81/53/44/983815344.db2.gz GESVWBFFNRRDAC-WMZOPIPTSA-N 1 0 414.600 3.530 20 30 HHEDRO C[NH+](C)CCCOC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440641037 983834628 /nfs/dbraw/zinc/83/46/28/983834628.db2.gz YPCMDIPDJKBMKX-UHFFFAOYSA-N 1 0 417.351 3.806 20 30 HHEDRO CCN1CC[NH+](C[C@@H](C)CNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440647190 983837061 /nfs/dbraw/zinc/83/70/61/983837061.db2.gz HFZXSPMENRRARL-HNNXBMFYSA-N 1 0 416.367 3.554 20 30 HHEDRO COc1cc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc1C#N ZINC000440820200 983921150 /nfs/dbraw/zinc/92/11/50/983921150.db2.gz FMOSAFZYSQCXCH-FQEVSTJZSA-N 1 0 419.447 3.749 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1C#N ZINC000440900872 983960953 /nfs/dbraw/zinc/96/09/53/983960953.db2.gz FYKLGCVEEISMLR-UHFFFAOYSA-N 1 0 408.546 3.638 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000440963986 984000373 /nfs/dbraw/zinc/00/03/73/984000373.db2.gz XBNQCOZVNSTGSS-HKUYNNGSSA-N 1 0 420.513 3.539 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441282514 984157538 /nfs/dbraw/zinc/15/75/38/984157538.db2.gz VQMBEXDSTIXUTN-YADHBBJMSA-N 1 0 420.557 3.712 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000441386746 984223983 /nfs/dbraw/zinc/22/39/83/984223983.db2.gz UWFGZZKZDXBZKW-RUZDIDTESA-N 1 0 400.478 3.897 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCC2 ZINC000441396160 984229056 /nfs/dbraw/zinc/22/90/56/984229056.db2.gz UDLKWAYNHSIEQF-JXFKEZNVSA-N 1 0 412.603 3.776 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000441686199 984394992 /nfs/dbraw/zinc/39/49/92/984394992.db2.gz IYGKZEXMTCEDOY-WWMYMODYSA-N 1 0 424.570 3.827 20 30 HHEDRO Cc1cccc(NC(=O)C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C#N ZINC000441798246 984460887 /nfs/dbraw/zinc/46/08/87/984460887.db2.gz URBQVROPCVKRES-HDICACEKSA-N 1 0 418.541 3.600 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000461762049 984767076 /nfs/dbraw/zinc/76/70/76/984767076.db2.gz AXNXDCBGZIEVGC-DHIUTWEWSA-N 1 0 406.530 3.552 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000442261572 984779737 /nfs/dbraw/zinc/77/97/37/984779737.db2.gz FWIITXSYBXOGQL-UHFFFAOYSA-N 1 0 421.585 3.860 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 ZINC000442283967 984789659 /nfs/dbraw/zinc/78/96/59/984789659.db2.gz GVBAPRNGOKENNM-UHFFFAOYSA-N 1 0 413.905 3.837 20 30 HHEDRO N#Cc1ccc(OC2CN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)C2)cc1 ZINC000462134304 985104783 /nfs/dbraw/zinc/10/47/83/985104783.db2.gz CCUCGENSSGZBKO-UHFFFAOYSA-N 1 0 404.514 3.517 20 30 HHEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3noc(C4CC4)n3)CC1)CCC2 ZINC000462239462 985221584 /nfs/dbraw/zinc/22/15/84/985221584.db2.gz YDRKPUMWKTVYSI-UHFFFAOYSA-N 1 0 411.531 3.577 20 30 HHEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)C1 ZINC000442871257 985252182 /nfs/dbraw/zinc/25/21/82/985252182.db2.gz HTXZXCOYKKLCMJ-NXHRZFHOSA-N 1 0 409.315 3.537 20 30 HHEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000443008462 985333342 /nfs/dbraw/zinc/33/33/42/985333342.db2.gz TZDIMIFYGXDGLI-CPUCHLNUSA-N 1 0 415.481 3.603 20 30 HHEDRO N#Cc1cc(Cl)ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000443080800 985366047 /nfs/dbraw/zinc/36/60/47/985366047.db2.gz SKQPIAIRQHQEIK-IHWFROFDSA-N 1 0 415.946 3.686 20 30 HHEDRO COc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000462483465 985439495 /nfs/dbraw/zinc/43/94/95/985439495.db2.gz LXBJFDBYBVGXOU-PGRDOPGGSA-N 1 0 406.530 3.761 20 30 HHEDRO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443456441 985626526 /nfs/dbraw/zinc/62/65/26/985626526.db2.gz QKRWPGMATMJBHL-IBGZPJMESA-N 1 0 403.448 3.693 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000462835240 985756859 /nfs/dbraw/zinc/75/68/59/985756859.db2.gz RTRPRDGJLHYQCY-UHFFFAOYSA-N 1 0 409.555 3.720 20 30 HHEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000443679051 985889669 /nfs/dbraw/zinc/88/96/69/985889669.db2.gz YRABCEILWWFYIG-BGYRXZFFSA-N 1 0 421.541 3.756 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2noc(C3CC3)n2)CC1)C(C)C ZINC000463154435 986125964 /nfs/dbraw/zinc/12/59/64/986125964.db2.gz DHYMQBQXHQTMFQ-LJQANCHMSA-N 1 0 401.555 3.535 20 30 HHEDRO COc1ccccc1-c1noc([C@H](C)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000463208002 986179016 /nfs/dbraw/zinc/17/90/16/986179016.db2.gz VHIWYIBNDVFFEC-KRWDZBQOSA-N 1 0 417.513 3.932 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000463217740 986189347 /nfs/dbraw/zinc/18/93/47/986189347.db2.gz GEHQNPIVSFHNKG-MBDNFAEBSA-N 1 0 403.563 3.569 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CCOCC1)c1ccccc1 ZINC000444023238 986215977 /nfs/dbraw/zinc/21/59/77/986215977.db2.gz TXAPBKLUXHIKLB-IBGZPJMESA-N 1 0 403.526 3.606 20 30 HHEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000444023436 986216609 /nfs/dbraw/zinc/21/66/09/986216609.db2.gz NVAQQBUVLZQTAQ-UHFFFAOYSA-N 1 0 407.518 3.862 20 30 HHEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)Cc2ccco2)C1 ZINC000444140034 986328469 /nfs/dbraw/zinc/32/84/69/986328469.db2.gz LOTASRUJMGFWBV-UHFFFAOYSA-N 1 0 404.514 3.943 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1Cl ZINC000463439080 986415593 /nfs/dbraw/zinc/41/55/93/986415593.db2.gz YUWBFMBXRQSERD-HSZRJFAPSA-N 1 0 411.933 3.857 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000463442216 986420815 /nfs/dbraw/zinc/42/08/15/986420815.db2.gz KNVFXHPRZUYCHS-OFVILXPXSA-N 1 0 405.542 3.575 20 30 HHEDRO N#CCCCn1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c2ccccc21 ZINC000444260458 986457706 /nfs/dbraw/zinc/45/77/06/986457706.db2.gz ASFSCTQIXANVKN-UHFFFAOYSA-N 1 0 408.546 3.710 20 30 HHEDRO C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000444401995 986582962 /nfs/dbraw/zinc/58/29/62/986582962.db2.gz ZAHXZOSDGAAICL-OALUTQOASA-N 1 0 413.566 3.504 20 30 HHEDRO CC1(C)OCc2cc(CN3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc2O1 ZINC000468901287 986607696 /nfs/dbraw/zinc/60/76/96/986607696.db2.gz IIHWNEIPRXWQSS-UHFFFAOYSA-N 1 0 420.469 3.774 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444455015 986637468 /nfs/dbraw/zinc/63/74/68/986637468.db2.gz RDFAJOVIAMRIPS-QHCPKHFHSA-N 1 0 407.514 3.557 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468981530 986687950 /nfs/dbraw/zinc/68/79/50/986687950.db2.gz KQCIEXUJSHHCCP-SFHVURJKSA-N 1 0 400.482 3.950 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000444552428 986743802 /nfs/dbraw/zinc/74/38/02/986743802.db2.gz PCTMYDLGYNKBOS-QGZVFWFLSA-N 1 0 409.555 3.627 20 30 HHEDRO N#CC(CC[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1)(c1ccccc1)c1ccccc1 ZINC000444600806 986787772 /nfs/dbraw/zinc/78/77/72/986787772.db2.gz CUOCAOXUIVZYQE-HSZRJFAPSA-N 1 0 419.594 3.926 20 30 HHEDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)C1 ZINC000469138486 986858326 /nfs/dbraw/zinc/85/83/26/986858326.db2.gz WNGPHKJAHZGBCI-SIKLNZKXSA-N 1 0 412.578 3.818 20 30 HHEDRO N#CC(CC[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000444684267 986865081 /nfs/dbraw/zinc/86/50/81/986865081.db2.gz LCJVDHCXCBJQHK-GOSISDBHSA-N 1 0 415.459 3.887 20 30 HHEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000444767073 986927009 /nfs/dbraw/zinc/92/70/09/986927009.db2.gz OUJVWUHVZQNLBE-DEOSSOPVSA-N 1 0 408.546 3.590 20 30 HHEDRO C=CC[C@@H]1[N@H+](CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CCCC1(C)C ZINC000444773997 986932650 /nfs/dbraw/zinc/93/26/50/986932650.db2.gz HDWCYIQUCCFTTD-CTNGQTDRSA-N 1 0 403.611 3.550 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469224071 986946595 /nfs/dbraw/zinc/94/65/95/986946595.db2.gz ZCGWUIKYBUBAMQ-UTKZUKDTSA-N 1 0 400.482 3.854 20 30 HHEDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000469287980 987005090 /nfs/dbraw/zinc/00/50/90/987005090.db2.gz RGJOJTGSCOMXSV-QHGAOEGBSA-N 1 0 422.529 3.579 20 30 HHEDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469301270 987016048 /nfs/dbraw/zinc/01/60/48/987016048.db2.gz NAJYGVVBBAKYLW-UHFFFAOYSA-N 1 0 402.498 3.850 20 30 HHEDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000469340453 987047903 /nfs/dbraw/zinc/04/79/03/987047903.db2.gz NUMQZPMFPMJZAC-OAQYLSRUSA-N 1 0 418.497 3.653 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469490776 987171137 /nfs/dbraw/zinc/17/11/37/987171137.db2.gz XOQJNAHFLYJYAI-KDOFPFPSSA-N 1 0 405.420 3.763 20 30 HHEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000445244039 987303365 /nfs/dbraw/zinc/30/33/65/987303365.db2.gz YSPWOJUDVQXAHV-UHFFFAOYSA-N 1 0 417.513 3.806 20 30 HHEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000469747669 987398573 /nfs/dbraw/zinc/39/85/73/987398573.db2.gz CETUEZQLPCJICA-CQSZACIVSA-N 1 0 408.340 3.793 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000469790411 987435391 /nfs/dbraw/zinc/43/53/91/987435391.db2.gz KZWWCOJCDSARBB-HNNXBMFYSA-N 1 0 404.352 3.754 20 30 HHEDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccccc2Sc2ccccc2C#N)CCCO1 ZINC000470097605 987998687 /nfs/dbraw/zinc/99/86/87/987998687.db2.gz PIRDOSIAIFTNEP-SFHVURJKSA-N 1 0 409.555 3.940 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)ccc1Cl ZINC000470215851 988142081 /nfs/dbraw/zinc/14/20/81/988142081.db2.gz YOAQPYZUWZZFTD-HXUWFJFHSA-N 1 0 402.970 3.845 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000470217414 988143484 /nfs/dbraw/zinc/14/34/84/988143484.db2.gz ZIBLBNZOPVSXTD-LVCYWYKZSA-N 1 0 402.970 3.924 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1Cl ZINC000470369322 988332360 /nfs/dbraw/zinc/33/23/60/988332360.db2.gz LTZLHVXFLYBJEO-IBGZPJMESA-N 1 0 402.970 3.559 20 30 HHEDRO N#CC1(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000464287838 988410000 /nfs/dbraw/zinc/41/00/00/988410000.db2.gz XLEFIVIDLSCDOI-FQEVSTJZSA-N 1 0 422.960 3.841 20 30 HHEDRO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)N(CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000470525653 988526731 /nfs/dbraw/zinc/52/67/31/988526731.db2.gz JQFJJDCLMZBGBB-PMACEKPBSA-N 1 0 406.530 3.655 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000470542524 988549395 /nfs/dbraw/zinc/54/93/95/988549395.db2.gz PDTAVMNWOIHVTM-UHFFFAOYSA-N 1 0 423.561 3.752 20 30 HHEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)ccc21 ZINC000470549042 988559177 /nfs/dbraw/zinc/55/91/77/988559177.db2.gz ZDAFJJWJGZUANO-LJQANCHMSA-N 1 0 423.561 3.609 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470964461 989028759 /nfs/dbraw/zinc/02/87/59/989028759.db2.gz YOHAZLKRBVXTTL-WMZOPIPTSA-N 1 0 414.619 3.879 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470967653 989031668 /nfs/dbraw/zinc/03/16/68/989031668.db2.gz OHXHEKWFUNWRRK-IEBWSBKVSA-N 1 0 400.592 3.541 20 30 HHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000470995436 989060974 /nfs/dbraw/zinc/06/09/74/989060974.db2.gz OXKNCMBLJWQTNH-QFIPXVFZSA-N 1 0 408.933 3.502 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000471241977 989387542 /nfs/dbraw/zinc/38/75/42/989387542.db2.gz DQLKZWHZXKXAIM-SFHVURJKSA-N 1 0 423.590 3.927 20 30 HHEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)nc1 ZINC000471275459 989426817 /nfs/dbraw/zinc/42/68/17/989426817.db2.gz AJZFJKTXDRWYDC-OAQYLSRUSA-N 1 0 412.493 3.997 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000471575769 989778240 /nfs/dbraw/zinc/77/82/40/989778240.db2.gz ZSIHLCKVEXVJJH-XMMPIXPASA-N 1 0 421.541 3.710 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000465857042 990967543 /nfs/dbraw/zinc/96/75/43/990967543.db2.gz HLOHOAHYMCXDAQ-OAHLLOKOSA-N 1 0 410.356 3.556 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H](CC)c3ccc(F)cc3F)CC2)CC1 ZINC000465862738 990974704 /nfs/dbraw/zinc/97/47/04/990974704.db2.gz PICQSPUYYIPNDZ-QFIPXVFZSA-N 1 0 420.548 3.784 20 30 HHEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000466299197 991550964 /nfs/dbraw/zinc/55/09/64/991550964.db2.gz SXUWUAKFIBIEKK-QFIPXVFZSA-N 1 0 410.562 3.887 20 30 HHEDRO Cn1cc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000466360665 991630153 /nfs/dbraw/zinc/63/01/53/991630153.db2.gz HXOLXBACMJCMCO-UHFFFAOYSA-N 1 0 421.932 3.739 20 30 HHEDRO COc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(I)c1OC ZINC000466411927 991704577 /nfs/dbraw/zinc/70/45/77/991704577.db2.gz IPQMQWSXSKLSGK-UHFFFAOYSA-N 1 0 422.266 3.512 20 30 HHEDRO CCC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000466468271 991758760 /nfs/dbraw/zinc/75/87/60/991758760.db2.gz CYMBCFQRTGDOBM-RBUKOAKNSA-N 1 0 412.578 3.868 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000466597870 991914112 /nfs/dbraw/zinc/91/41/12/991914112.db2.gz BMJJBNYOUATIBM-IBGZPJMESA-N 1 0 407.518 3.892 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466616694 991932598 /nfs/dbraw/zinc/93/25/98/991932598.db2.gz OCQSUFMWTDLRCR-QUCCMNQESA-N 1 0 407.518 3.796 20 30 HHEDRO N#CCCCOc1cccnc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000466629751 991944634 /nfs/dbraw/zinc/94/46/34/991944634.db2.gz WTDHZEYZQJTNQZ-UHFFFAOYSA-N 1 0 407.518 3.593 20 30 HHEDRO CSc1ccc(F)cc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000466804468 992113204 /nfs/dbraw/zinc/11/32/04/992113204.db2.gz VGOPSXSSINVNNX-UHFFFAOYSA-N 1 0 400.523 3.693 20 30 HHEDRO C=CCCN(C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000466982966 992293299 /nfs/dbraw/zinc/29/32/99/992293299.db2.gz NZXOKBXQWCAWCY-UHFFFAOYSA-N 1 0 412.500 3.825 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000467135851 992452202 /nfs/dbraw/zinc/45/22/02/992452202.db2.gz KWEKVSOPPAPTCJ-CRAIPNDOSA-N 1 0 419.497 3.510 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)CC[C@@H]2CCCO2)c1C#N ZINC000467148742 992465161 /nfs/dbraw/zinc/46/51/61/992465161.db2.gz REUQWPSWRRTDHZ-FQEVSTJZSA-N 1 0 412.509 3.603 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)C(C)C ZINC000467518535 992795613 /nfs/dbraw/zinc/79/56/13/992795613.db2.gz MNIDZZPWGBURMU-LPHOPBHVSA-N 1 0 424.511 3.724 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(NCc2ccccc2)nc2ccccc21 ZINC000467609173 992876445 /nfs/dbraw/zinc/87/64/45/992876445.db2.gz VWABWQNAUFGVTL-UHFFFAOYSA-N 1 0 415.541 4.154 20 30 HHEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467702727 992959405 /nfs/dbraw/zinc/95/94/05/992959405.db2.gz MMZNUDCNTZPPSC-UHFFFAOYSA-N 1 0 418.541 3.590 20 30 HHEDRO Cc1cc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000472153669 993206554 /nfs/dbraw/zinc/20/65/54/993206554.db2.gz JKCDVSFXSNLOIJ-NRFANRHFSA-N 1 0 402.498 3.662 20 30 HHEDRO CO[C@H](C)C[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C(C)C ZINC000472246479 993273615 /nfs/dbraw/zinc/27/36/15/993273615.db2.gz ZPYZHJRCUSBLMA-MRXNPFEDSA-N 1 0 400.523 3.692 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000472253193 993279214 /nfs/dbraw/zinc/27/92/14/993279214.db2.gz AYFAAFIPJZLJJI-DLBZAZTESA-N 1 0 400.548 3.772 20 30 HHEDRO CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472466487 993468661 /nfs/dbraw/zinc/46/86/61/993468661.db2.gz AKJFOCAJADBCBB-FQEVSTJZSA-N 1 0 408.571 3.837 20 30 HHEDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000472516967 993509554 /nfs/dbraw/zinc/50/95/54/993509554.db2.gz MZSZEAXWQFQTGX-UHFFFAOYSA-N 1 0 420.513 3.623 20 30 HHEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000472746196 993678384 /nfs/dbraw/zinc/67/83/84/993678384.db2.gz FFTMYHZOUHTGSP-QZTJIDSGSA-N 1 0 404.580 3.903 20 30 HHEDRO C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000481064296 993904590 /nfs/dbraw/zinc/90/45/90/993904590.db2.gz UTOVHZUDSHABIH-LAUBAEHRSA-N 1 0 415.534 3.512 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000481065793 993906148 /nfs/dbraw/zinc/90/61/48/993906148.db2.gz YFQHMAPEZGGELM-KRWDZBQOSA-N 1 0 415.534 3.549 20 30 HHEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000481280170 994096028 /nfs/dbraw/zinc/09/60/28/994096028.db2.gz VXSVUTSUBCAKMJ-OAHLLOKOSA-N 1 0 400.914 3.783 20 30 HHEDRO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000473567534 994435650 /nfs/dbraw/zinc/43/56/50/994435650.db2.gz HICURJUNVSFSSS-KNQAVFIVSA-N 1 0 414.981 3.703 20 30 HHEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1OC)c1ccc(F)c(F)c1 ZINC000481610586 994466086 /nfs/dbraw/zinc/46/60/86/994466086.db2.gz QIZDBOFMBONEQB-HTAPYJJXSA-N 1 0 405.441 3.823 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000481771434 994621877 /nfs/dbraw/zinc/62/18/77/994621877.db2.gz VVSTUNHUFWLRFJ-ICSRJNTNSA-N 1 0 419.294 3.940 20 30 HHEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCSC1 ZINC000481781172 994630283 /nfs/dbraw/zinc/63/02/83/994630283.db2.gz MAJDGJZDLFLIAK-QHCPKHFHSA-N 1 0 424.570 3.890 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000473774367 994696051 /nfs/dbraw/zinc/69/60/51/994696051.db2.gz GHFASGAYRSFGPM-MOJGAOKDSA-N 1 0 420.557 3.881 20 30 HHEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000481843158 994697764 /nfs/dbraw/zinc/69/77/64/994697764.db2.gz TUOVDFGWFGDDBB-OIISXLGYSA-N 1 0 403.548 3.923 20 30 HHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000481871686 994734608 /nfs/dbraw/zinc/73/46/08/994734608.db2.gz VGBJHTBNFKACQT-YLJYHZDGSA-N 1 0 401.919 3.517 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000481891293 994760086 /nfs/dbraw/zinc/76/00/86/994760086.db2.gz JQUGBAWAAGVYQW-PMOQBDJRSA-N 1 0 403.526 3.839 20 30 HHEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474236505 995234393 /nfs/dbraw/zinc/23/43/93/995234393.db2.gz FNPYKHJSYDXJRI-NRFANRHFSA-N 1 0 400.526 3.944 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1 ZINC000482387942 995372420 /nfs/dbraw/zinc/37/24/20/995372420.db2.gz PILIZQXZXIUIAA-HNNXBMFYSA-N 1 0 407.383 3.841 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c(-c2ccccc2)n1 ZINC000482494127 995503995 /nfs/dbraw/zinc/50/39/95/995503995.db2.gz ZQNUMVRWWORDNN-UHFFFAOYSA-N 1 0 415.545 3.771 20 30 HHEDRO CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474622046 995571702 /nfs/dbraw/zinc/57/17/02/995571702.db2.gz KWDWELWXCLLLBJ-KRWDZBQOSA-N 1 0 400.429 3.898 20 30 HHEDRO COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482779220 995743440 /nfs/dbraw/zinc/74/34/40/995743440.db2.gz VJWOQEWTKDHHPE-PKTZIBPZSA-N 1 0 419.525 3.818 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000474877433 995772102 /nfs/dbraw/zinc/77/21/02/995772102.db2.gz ZBKPFYIEDAEISB-UHFFFAOYSA-N 1 0 407.514 3.970 20 30 HHEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccnc(C#N)c4)cc3)CC2)c1 ZINC000474894403 995784471 /nfs/dbraw/zinc/78/44/71/995784471.db2.gz RILCFXIOKSDIAZ-UHFFFAOYSA-N 1 0 411.509 3.836 20 30 HHEDRO C=CCc1ccc(OCC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c(OC)c1 ZINC000482854308 995793439 /nfs/dbraw/zinc/79/34/39/995793439.db2.gz XGUVKNRMJQETJW-UHFFFAOYSA-N 1 0 418.603 3.670 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000482889401 995820774 /nfs/dbraw/zinc/82/07/74/995820774.db2.gz LWUIHOZJODNJQB-GHTZIAJQSA-N 1 0 408.521 3.854 20 30 HHEDRO CC(C)(C#N)c1ccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000474955325 995823917 /nfs/dbraw/zinc/82/39/17/995823917.db2.gz MHRXGAVCXREKND-UHFFFAOYSA-N 1 0 404.558 3.820 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN(C)Cc2cnccc2C)c1C#N ZINC000483016220 995921148 /nfs/dbraw/zinc/92/11/48/995921148.db2.gz KQTWNSZSEMIBAQ-UHFFFAOYSA-N 1 0 419.504 3.938 20 30 HHEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000475582839 996230710 /nfs/dbraw/zinc/23/07/10/996230710.db2.gz NXVJZTOUFZDYQR-UHFFFAOYSA-N 1 0 400.320 3.789 20 30 HHEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)C1 ZINC000475632212 996264079 /nfs/dbraw/zinc/26/40/79/996264079.db2.gz DVBHDVJYIMYXJB-NEWSRXKRSA-N 1 0 423.342 3.928 20 30 HHEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2Cc2ccc(I)cc2)o1 ZINC000475635829 996266639 /nfs/dbraw/zinc/26/66/39/996266639.db2.gz SBGHOFTTWDUPFZ-INIZCTEOSA-N 1 0 421.282 3.510 20 30 HHEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475744850 996342903 /nfs/dbraw/zinc/34/29/03/996342903.db2.gz CRSZJMGRXWRRLL-FQEVSTJZSA-N 1 0 414.347 3.918 20 30 HHEDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000475789877 996372989 /nfs/dbraw/zinc/37/29/89/996372989.db2.gz KRPDMARZZSHXTB-TZIWHRDSSA-N 1 0 403.592 3.775 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000483800779 996396340 /nfs/dbraw/zinc/39/63/40/996396340.db2.gz PUHZEOLQSLGTQD-UHFFFAOYSA-N 1 0 410.562 3.954 20 30 HHEDRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000476085655 996586104 /nfs/dbraw/zinc/58/61/04/996586104.db2.gz MFYRAIUQCZKPJS-UHFFFAOYSA-N 1 0 419.529 3.956 20 30 HHEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000476206416 996676751 /nfs/dbraw/zinc/67/67/51/996676751.db2.gz RWHQKPNBYMIVHF-OOMBGRCJSA-N 1 0 420.557 3.720 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000476443073 996914999 /nfs/dbraw/zinc/91/49/99/996914999.db2.gz IRODBDCKHJRKTJ-OAQYLSRUSA-N 1 0 407.514 3.626 20 30 HHEDRO N#Cc1ccc(CSc2ccccc2C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000476465631 996942097 /nfs/dbraw/zinc/94/20/97/996942097.db2.gz WFRWQTMXVXQYHU-NRFANRHFSA-N 1 0 423.582 3.817 20 30 HHEDRO N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000484619649 996953360 /nfs/dbraw/zinc/95/33/60/996953360.db2.gz MCVPUYAVRVZXFH-YPAWHYETSA-N 1 0 422.598 3.773 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1)CC1CC1 ZINC000476505484 996994234 /nfs/dbraw/zinc/99/42/34/996994234.db2.gz HHHAZSBTWOGPQK-UHFFFAOYSA-N 1 0 409.983 3.734 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484669077 997008848 /nfs/dbraw/zinc/00/88/48/997008848.db2.gz JRBVVQZYMNPNFE-OKBVGWRXSA-N 1 0 414.638 3.653 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000476663595 997201900 /nfs/dbraw/zinc/20/19/00/997201900.db2.gz ZBSQORSEARSTCF-OOMBGRCJSA-N 1 0 418.541 3.822 20 30 HHEDRO N#Cc1ccc(N2CC[C@H](N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)C2=O)cc1 ZINC000477064464 997709158 /nfs/dbraw/zinc/70/91/58/997709158.db2.gz KMOVDVFVQRSHPP-AHWVRZQESA-N 1 0 414.553 3.652 20 30 HHEDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000477076880 997729278 /nfs/dbraw/zinc/72/92/78/997729278.db2.gz POYMVKJXRIYFRM-PWFNWSNSSA-N 1 0 403.935 3.971 20 30 HHEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000485324291 997736782 /nfs/dbraw/zinc/73/67/82/997736782.db2.gz WBBROHDBGPNDPP-NRFANRHFSA-N 1 0 405.498 3.799 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000477103019 997755891 /nfs/dbraw/zinc/75/58/91/997755891.db2.gz UYMQXQCUFIXKAV-MRXNPFEDSA-N 1 0 409.983 3.877 20 30 HHEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000477157429 997817550 /nfs/dbraw/zinc/81/75/50/997817550.db2.gz FWHXHJHONDRRLM-LZWOXQAQSA-N 1 0 415.481 3.603 20 30 HHEDRO COc1ccc(NC(=O)CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1Cl ZINC000485692059 998152650 /nfs/dbraw/zinc/15/26/50/998152650.db2.gz YUHKUJAISISSEM-FQEVSTJZSA-N 1 0 412.921 3.560 20 30 HHEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000477633734 998351385 /nfs/dbraw/zinc/35/13/85/998351385.db2.gz QZMGAYGQKCBRCU-FQEVSTJZSA-N 1 0 403.482 3.968 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](C)c3ccc(C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000486249500 998675048 /nfs/dbraw/zinc/67/50/48/998675048.db2.gz JIFXQOQNHASDOY-UZFJHSOTSA-N 1 0 404.514 3.905 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000477948341 998675434 /nfs/dbraw/zinc/67/54/34/998675434.db2.gz UWCHFFCEAAPPTD-IBGZPJMESA-N 1 0 407.411 3.798 20 30 HHEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C12CCC2 ZINC000477990097 998702451 /nfs/dbraw/zinc/70/24/51/998702451.db2.gz PQQFHOFJOZBFRD-RTWAWAEBSA-N 1 0 424.545 3.836 20 30 HHEDRO C=CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)cc1 ZINC000486439621 998769270 /nfs/dbraw/zinc/76/92/70/998769270.db2.gz UGGNPVAHSKGXAR-WZONZLPQSA-N 1 0 403.486 3.645 20 30 HHEDRO Cn1cc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c(-c2ccc(C#N)cc2)n1 ZINC000478242120 998841668 /nfs/dbraw/zinc/84/16/68/998841668.db2.gz XUZMMLZCPDZCDI-UHFFFAOYSA-N 1 0 412.396 3.579 20 30 HHEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000478327532 998890879 /nfs/dbraw/zinc/89/08/79/998890879.db2.gz MXDOUBDCTXIMRK-HXUWFJFHSA-N 1 0 416.525 3.972 20 30 HHEDRO Clc1ccccc1C#CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000486824306 998957433 /nfs/dbraw/zinc/95/74/33/998957433.db2.gz RBDLKDMSUOCEBQ-VGOFRKELSA-N 1 0 405.889 3.585 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-n4cnc5ccccc54)cc3)C2=O)cc1 ZINC000486852100 998973274 /nfs/dbraw/zinc/97/32/74/998973274.db2.gz CVSRIIYPBPHYDB-XMMPIXPASA-N 1 0 421.504 3.788 20 30 HHEDRO CCCOc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000486876923 998986292 /nfs/dbraw/zinc/98/62/92/998986292.db2.gz AMKDVMRMEPZUFJ-NRFANRHFSA-N 1 0 407.514 3.636 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(OCC(F)(F)F)c(F)c3)C2=O)cc1 ZINC000486876872 998986320 /nfs/dbraw/zinc/98/63/20/998986320.db2.gz DIYNNJJNHWNYRN-SFHVURJKSA-N 1 0 421.394 3.529 20 30 HHEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Br)c(Cl)s3)C2=O)cc1 ZINC000486903083 998999087 /nfs/dbraw/zinc/99/90/87/998999087.db2.gz MMAIRJOUYVIKLK-OAHLLOKOSA-N 1 0 424.751 3.926 20 30 HHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000487393752 999158864 /nfs/dbraw/zinc/15/88/64/999158864.db2.gz MAQLZXKOVRLRJB-QFIPXVFZSA-N 1 0 417.601 3.917 20 30 HHEDRO CCC(CC)(C[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(=O)OC ZINC000487742690 999273497 /nfs/dbraw/zinc/27/34/97/999273497.db2.gz WGJGEDQSLGTMBU-UHFFFAOYSA-N 1 0 416.566 3.989 20 30 HHEDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)n2)CC1 ZINC000487883919 999304095 /nfs/dbraw/zinc/30/40/95/999304095.db2.gz WHBWLPPTYRLQPS-UHFFFAOYSA-N 1 0 422.411 3.607 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000479193190 999319947 /nfs/dbraw/zinc/31/99/47/999319947.db2.gz NEJOSDUVDFABKU-ORFBVSJDSA-N 1 0 410.562 3.908 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000479196500 999321536 /nfs/dbraw/zinc/32/15/36/999321536.db2.gz XSBIGGMOFVWGDS-ORFBVSJDSA-N 1 0 410.562 3.908 20 30 HHEDRO N#CC1(NC(=O)c2ccc(Br)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479214935 999329101 /nfs/dbraw/zinc/32/91/01/999329101.db2.gz KZYLJFPCVLQEKP-UHFFFAOYSA-N 1 0 416.294 3.876 20 30 HHEDRO N#CC1(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000479219915 999331196 /nfs/dbraw/zinc/33/11/96/999331196.db2.gz RMNOPLMVYAZUEW-LJQANCHMSA-N 1 0 409.917 3.566 20 30 HHEDRO N#CC1(NC(=O)CCc2ncc(-c3ccccc3)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000479236827 999338330 /nfs/dbraw/zinc/33/83/30/999338330.db2.gz BYNBEGQMBDACGK-UHFFFAOYSA-N 1 0 414.509 3.949 20 30 HHEDRO Cc1oc(-c2ccsc2)nc1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479250494 999346723 /nfs/dbraw/zinc/34/67/23/999346723.db2.gz UAQRXZSMBZFCKB-UHFFFAOYSA-N 1 0 420.538 3.929 20 30 HHEDRO N#CC1(NC(=O)Cc2coc(-c3cccs3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479304786 999375778 /nfs/dbraw/zinc/37/57/78/999375778.db2.gz FNYCUCSSGDGKEA-UHFFFAOYSA-N 1 0 406.511 3.620 20 30 HHEDRO COc1cc(Cl)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000479343253 999395097 /nfs/dbraw/zinc/39/50/97/999395097.db2.gz MISRWDOCCFDUIG-UHFFFAOYSA-N 1 0 413.905 3.645 20 30 HHEDRO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)ccc1C#N ZINC000488197745 999411566 /nfs/dbraw/zinc/41/15/66/999411566.db2.gz UABMCWIZTVTYPU-KRWDZBQOSA-N 1 0 413.319 3.875 20 30 HHEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@@H]3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000488497414 999507973 /nfs/dbraw/zinc/50/79/73/999507973.db2.gz ZKROOHPQFWTZAP-HJNYFJLDSA-N 1 0 418.497 3.568 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(Cl)cc3F)CC2)cc1 ZINC000488541005 999522109 /nfs/dbraw/zinc/52/21/09/999522109.db2.gz WSZMNLLZQLUIJU-UHFFFAOYSA-N 1 0 400.885 3.768 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCOc4c(F)cccc43)CC2)cc1 ZINC000488616770 999547084 /nfs/dbraw/zinc/54/70/84/999547084.db2.gz WKAHUMMCWMZEBG-QFIPXVFZSA-N 1 0 422.504 3.829 20 30 HHEDRO N#Cc1c(F)cccc1C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000488684171 999571328 /nfs/dbraw/zinc/57/13/28/999571328.db2.gz IBXOSWGTFJFVQL-UHFFFAOYSA-N 1 0 415.472 3.667 20 30 HHEDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000479880896 999634529 /nfs/dbraw/zinc/63/45/29/999634529.db2.gz AILMAEZGYUYPKG-UHFFFAOYSA-N 1 0 401.514 3.778 20 30 HHEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H](C)C1 ZINC000488915770 999646173 /nfs/dbraw/zinc/64/61/73/999646173.db2.gz KLAWMWFLXUZZTK-HVCBDVMLSA-N 1 0 410.562 3.620 20 30 HHEDRO C=C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(C(=O)NCC[NH+](CC)CC)c1 ZINC000488931752 999650641 /nfs/dbraw/zinc/65/06/41/999650641.db2.gz HIIMRWBJXDPBRW-KRWDZBQOSA-N 1 0 406.958 3.984 20 30 HHEDRO COc1cccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N2CCCC2)c1 ZINC000479965053 999666597 /nfs/dbraw/zinc/66/65/97/999666597.db2.gz NHMVOOTUEVZYJK-XMMPIXPASA-N 1 0 415.541 3.894 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000489074579 999690932 /nfs/dbraw/zinc/69/09/32/999690932.db2.gz PMRZTAHLLUWJSV-RUZDIDTESA-N 1 0 420.557 3.771 20 30 HHEDRO N#Cc1c(C#N)c2c(nc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCCCC2 ZINC000480114821 999720916 /nfs/dbraw/zinc/72/09/16/999720916.db2.gz YTQWFRSMIUAYOW-FQEVSTJZSA-N 1 0 415.541 3.663 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000480149637 999730998 /nfs/dbraw/zinc/73/09/98/999730998.db2.gz OQOGZMUQLBDILQ-OXJNMPFZSA-N 1 0 424.372 3.670 20 30 HHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccco1 ZINC000480272076 999760756 /nfs/dbraw/zinc/76/07/56/999760756.db2.gz VYSLOJODXXCTCA-WMLDXEAASA-N 1 0 410.453 3.727 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480296777 999765352 /nfs/dbraw/zinc/76/53/52/999765352.db2.gz BKKSEOSHFOQIRC-VFNWGFHPSA-N 1 0 406.465 3.696 20 30 HHEDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000480360172 999779730 /nfs/dbraw/zinc/77/97/30/999779730.db2.gz AFVHGLHLROQBRQ-UHFFFAOYSA-N 1 0 420.904 3.745 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000480378468 999784314 /nfs/dbraw/zinc/78/43/14/999784314.db2.gz SQBHCTWPGLBGSW-HTAPYJJXSA-N 1 0 410.518 3.705 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000489539528 999787925 /nfs/dbraw/zinc/78/79/25/999787925.db2.gz YPXDENOOMGMVBW-PGRDOPGGSA-N 1 0 406.530 3.635 20 30 HHEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000480465826 999805337 /nfs/dbraw/zinc/80/53/37/999805337.db2.gz YCWOAPQDBDUGPO-UHFFFAOYSA-N 1 0 416.472 3.647 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cccc(Oc4ccc(C#N)cc4)c3)CC2)CCO1 ZINC000489982377 999872827 /nfs/dbraw/zinc/87/28/27/999872827.db2.gz OZWJTOOXDWNFLX-SFHVURJKSA-N 1 0 405.498 3.676 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C(=O)Nc3ccc(C#N)cc3Cl)cc2)C1 ZINC000490375457 999947319 /nfs/dbraw/zinc/94/73/19/999947319.db2.gz QDTPSZABYZKGPQ-INIZCTEOSA-N 1 0 424.932 3.698 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCCC1)c1ccccc1 ZINC000490486099 999965376 /nfs/dbraw/zinc/96/53/76/999965376.db2.gz UXFCKCANVXYBQA-INIZCTEOSA-N 1 0 424.932 3.930 20 30 HHEDRO C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000490562242 999977474 /nfs/dbraw/zinc/97/74/74/999977474.db2.gz DTTKVPVDEPHYTH-WOJBJXKFSA-N 1 0 421.589 3.670 20 30 HHEDRO CCOC(=O)CC(C)(C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000490609044 999983799 /nfs/dbraw/zinc/98/37/99/999983799.db2.gz UDDWQCKYFYPUDV-UHFFFAOYSA-N 1 0 405.564 3.881 20 30 HHEDRO C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797118 1000007467 /nfs/dbraw/zinc/00/74/67/1000007467.db2.gz NSLJEZJRWHOYAN-UGKGYDQZSA-N 1 0 418.541 3.694 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(OC)c1 ZINC000491056079 1000039992 /nfs/dbraw/zinc/03/99/92/1000039992.db2.gz IEYPSDOUQPISBO-GOTSBHOMSA-N 1 0 416.606 3.751 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000491571080 1000084398 /nfs/dbraw/zinc/08/43/98/1000084398.db2.gz ZUUYWXAMFNBVSJ-CTNGQTDRSA-N 1 0 419.550 3.694 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2)cc1 ZINC000492054642 1000107111 /nfs/dbraw/zinc/10/71/11/1000107111.db2.gz POWZJMNCCLUNHJ-ZEQRLZLVSA-N 1 0 418.541 3.800 20 30 HHEDRO Cn1cc([C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c2cccc(F)c2)cn1 ZINC000492249236 1000117811 /nfs/dbraw/zinc/11/78/11/1000117811.db2.gz CVUGOYOCYAPSBO-NFBKMPQASA-N 1 0 407.468 3.918 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492599137 1000134556 /nfs/dbraw/zinc/13/45/56/1000134556.db2.gz CEVWMULJFWEDOD-GOSISDBHSA-N 1 0 409.452 3.707 20 30 HHEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492599138 1000134568 /nfs/dbraw/zinc/13/45/68/1000134568.db2.gz CEVWMULJFWEDOD-SFHVURJKSA-N 1 0 409.452 3.707 20 30 HHEDRO C=CCNC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000492949656 1000150778 /nfs/dbraw/zinc/15/07/78/1000150778.db2.gz GZAWWKGRCKUJFV-UHFFFAOYSA-N 1 0 412.537 3.909 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(F)c(F)cc1N1CCOCC1)C(C)C ZINC000493081630 1000156721 /nfs/dbraw/zinc/15/67/21/1000156721.db2.gz RUXAOLNXOSBRIS-NRFANRHFSA-N 1 0 422.520 3.622 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000493473667 1000175541 /nfs/dbraw/zinc/17/55/41/1000175541.db2.gz PYAICDBRGJYMDK-JTHBVZDNSA-N 1 0 422.573 3.953 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)CC1 ZINC000493836207 1000196609 /nfs/dbraw/zinc/19/66/09/1000196609.db2.gz OZCSBJCMAZUMBW-MOPGFXCFSA-N 1 0 412.361 3.633 20 30 HHEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1C#N ZINC000494050361 1000283588 /nfs/dbraw/zinc/28/35/88/1000283588.db2.gz QIDGRWLCLCIGCK-QRWLVFNGSA-N 1 0 406.555 3.945 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000494505816 1000529818 /nfs/dbraw/zinc/52/98/18/1000529818.db2.gz PKKSCDHOWOQEHA-PZJWPPBQSA-N 1 0 401.869 3.846 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1(c3cc(F)cc(C#N)c3)CC1)c1ccccc1O2 ZINC000505295697 1000679909 /nfs/dbraw/zinc/67/99/09/1000679909.db2.gz LRVBJXOWZGELDY-NRFANRHFSA-N 1 0 419.500 3.833 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000505298445 1000681736 /nfs/dbraw/zinc/68/17/36/1000681736.db2.gz RKOVIMKZYXAURD-MSOLQXFVSA-N 1 0 402.564 3.514 20 30 HHEDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494884664 1000711334 /nfs/dbraw/zinc/71/13/34/1000711334.db2.gz BOTBAWYGPJHXCC-QZTJIDSGSA-N 1 0 400.567 3.724 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000505392560 1000744698 /nfs/dbraw/zinc/74/46/98/1000744698.db2.gz VKJHOKMBMIWHNE-UHFFFAOYSA-N 1 0 405.502 3.502 20 30 HHEDRO C=CC[C@H](C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1)c1ccccc1 ZINC000495138854 1000879533 /nfs/dbraw/zinc/87/95/33/1000879533.db2.gz OEWOOBMJRCWVNZ-QHCPKHFHSA-N 1 0 411.590 3.528 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000505766353 1001012929 /nfs/dbraw/zinc/01/29/29/1001012929.db2.gz OKFYEXKLXPHULO-GOSISDBHSA-N 1 0 420.513 3.779 20 30 HHEDRO N#Cc1ccc(CCC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000505774912 1001016613 /nfs/dbraw/zinc/01/66/13/1001016613.db2.gz ZTMSOYGUEFQFGQ-UHFFFAOYSA-N 1 0 404.514 3.944 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000505799403 1001032563 /nfs/dbraw/zinc/03/25/63/1001032563.db2.gz QBONUYMFGZUNRX-HYBUGGRVSA-N 1 0 413.562 3.837 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000505799232 1001032703 /nfs/dbraw/zinc/03/27/03/1001032703.db2.gz NWMUAXQXXMQGLR-HOYKHHGWSA-N 1 0 413.562 3.796 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000505905900 1001091603 /nfs/dbraw/zinc/09/16/03/1001091603.db2.gz JNIXVLNADRZMQS-FGZHOGPDSA-N 1 0 424.589 3.826 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000505905901 1001091717 /nfs/dbraw/zinc/09/17/17/1001091717.db2.gz JNIXVLNADRZMQS-VXKWHMMOSA-N 1 0 424.589 3.826 20 30 HHEDRO C=CCc1ccc(OCC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(OC)c1 ZINC000505929361 1001109173 /nfs/dbraw/zinc/10/91/73/1001109173.db2.gz CIYQKIZZRIKUJD-TZIWHRDSSA-N 1 0 400.563 3.916 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1cccs1 ZINC000506152400 1001251086 /nfs/dbraw/zinc/25/10/86/1001251086.db2.gz DWHJOLLUXNKWSP-SFHVURJKSA-N 1 0 416.522 3.615 20 30 HHEDRO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000506174803 1001260521 /nfs/dbraw/zinc/26/05/21/1001260521.db2.gz FXHFMUTXXLNZSU-IBGZPJMESA-N 1 0 421.541 3.738 20 30 HHEDRO N#Cc1ccc2ncc(CN3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC3)n2c1 ZINC000506296536 1001337008 /nfs/dbraw/zinc/33/70/08/1001337008.db2.gz ABUIDEIZDIEDPC-UHFFFAOYSA-N 1 0 413.447 3.933 20 30 HHEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000497399778 1001338433 /nfs/dbraw/zinc/33/84/33/1001338433.db2.gz PCSAJSWILZUKGT-LOSJGSFVSA-N 1 0 411.505 3.965 20 30 HHEDRO N#Cc1cc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)ccc1Cl ZINC000497644234 1001470242 /nfs/dbraw/zinc/47/02/42/1001470242.db2.gz VTZLKYZOENPJIQ-UHFFFAOYSA-N 1 0 424.932 3.843 20 30 HHEDRO N#Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000497659610 1001475535 /nfs/dbraw/zinc/47/55/35/1001475535.db2.gz KGSKXOOQQHNVHB-IBGZPJMESA-N 1 0 402.420 3.651 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000497693477 1001487236 /nfs/dbraw/zinc/48/72/36/1001487236.db2.gz BXUYFQINVHQLKB-IBGZPJMESA-N 1 0 411.502 3.662 20 30 HHEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000506757294 1001515698 /nfs/dbraw/zinc/51/56/98/1001515698.db2.gz FKBNFHKDGUXUKM-QGZVFWFLSA-N 1 0 400.542 3.540 20 30 HHEDRO CCCCCNC(=O)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000506872537 1001574818 /nfs/dbraw/zinc/57/48/18/1001574818.db2.gz CGZLSKQLZYGWCL-UHFFFAOYSA-N 1 0 407.562 3.982 20 30 HHEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000506924786 1001596625 /nfs/dbraw/zinc/59/66/25/1001596625.db2.gz ALGBYCJAUDBWGR-AQKFKSFVSA-N 1 0 424.932 3.537 20 30 HHEDRO C=CCN(CCc1ccco1)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000498162492 1001670275 /nfs/dbraw/zinc/67/02/75/1001670275.db2.gz MBJVRBSYRVRPHU-WOJBJXKFSA-N 1 0 411.546 3.829 20 30 HHEDRO N#CC1(NC(=O)COc2ccc(Cl)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000498221114 1001704277 /nfs/dbraw/zinc/70/42/77/1001704277.db2.gz FSIAJLKWGSEOQA-UHFFFAOYSA-N 1 0 401.869 3.532 20 30 HHEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1OC ZINC000507021735 1001768512 /nfs/dbraw/zinc/76/85/12/1001768512.db2.gz LENAZKZKHNNPCI-UHFFFAOYSA-N 1 0 412.505 3.928 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)C(C)C ZINC000498357626 1001793079 /nfs/dbraw/zinc/79/30/79/1001793079.db2.gz ZEYHOOZPVMYOSO-QFIPXVFZSA-N 1 0 422.573 3.551 20 30 HHEDRO C=CCc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc(OC)c1O ZINC000498368880 1001800496 /nfs/dbraw/zinc/80/04/96/1001800496.db2.gz FRRYUSBDQKDESG-FGZHOGPDSA-N 1 0 416.949 3.944 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)cc1OC ZINC000498376569 1001806907 /nfs/dbraw/zinc/80/69/07/1001806907.db2.gz UTOSNYIHKVXNGK-SWLSCSKDSA-N 1 0 412.246 3.814 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)C(C)C ZINC000507111525 1001816325 /nfs/dbraw/zinc/81/63/25/1001816325.db2.gz KFKLXJDMLACJJG-UNMCSNQZSA-N 1 0 413.610 3.807 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1c(Cl)cccc1Cl ZINC000498391050 1001819961 /nfs/dbraw/zinc/81/99/61/1001819961.db2.gz RKTHKCWAZYKNNL-UHFFFAOYSA-N 1 0 406.313 3.834 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(OC)cc2OC)CC2CC2)CC1 ZINC000507177346 1001864208 /nfs/dbraw/zinc/86/42/08/1001864208.db2.gz HAAYPULMRTWSJW-UHFFFAOYSA-N 1 0 401.551 3.666 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000507241099 1001926948 /nfs/dbraw/zinc/92/69/48/1001926948.db2.gz XATMSMDPPJMWFO-UXHICEINSA-N 1 0 413.562 3.693 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000507307672 1001987986 /nfs/dbraw/zinc/98/79/86/1001987986.db2.gz YPKBVMLUPUWATB-FDDCHVKYSA-N 1 0 405.583 3.751 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000507321681 1002000304 /nfs/dbraw/zinc/00/03/04/1002000304.db2.gz YEVDEWXLOFLGML-QFIPXVFZSA-N 1 0 418.541 3.776 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000507382664 1002037994 /nfs/dbraw/zinc/03/79/94/1002037994.db2.gz WXMAXRFKIKXOAX-ROUUACIJSA-N 1 0 405.608 3.524 20 30 HHEDRO Cc1c([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(C)cc1 ZINC000507396063 1002047194 /nfs/dbraw/zinc/04/71/94/1002047194.db2.gz BFMLIDSBZHFEDC-JTSKRJEESA-N 1 0 414.513 3.602 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CC[NH+](CC3CC3)CC2)cc1C ZINC000498666716 1002060054 /nfs/dbraw/zinc/06/00/54/1002060054.db2.gz JQFURVKGPOFUEX-UHFFFAOYSA-N 1 0 405.546 3.685 20 30 HHEDRO CCCCCC(=O)NC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000498667672 1002061433 /nfs/dbraw/zinc/06/14/33/1002061433.db2.gz OAYYIFSMOHOGNU-UHFFFAOYSA-N 1 0 416.591 3.598 20 30 HHEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000507425812 1002065715 /nfs/dbraw/zinc/06/57/15/1002065715.db2.gz WLGPFXYMRGYLTI-PGRDOPGGSA-N 1 0 404.514 3.677 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(c4ccc(F)cc4F)CC3)C2=O)cc1 ZINC000507430399 1002067549 /nfs/dbraw/zinc/06/75/49/1002067549.db2.gz SSCOAKCDGDAWRL-NRFANRHFSA-N 1 0 410.468 3.590 20 30 HHEDRO N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000498708661 1002092994 /nfs/dbraw/zinc/09/29/94/1002092994.db2.gz VXXHHDVKVORENO-UHFFFAOYSA-N 1 0 411.527 3.612 20 30 HHEDRO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507605594 1002211875 /nfs/dbraw/zinc/21/18/75/1002211875.db2.gz NMUIJLBJKNXNMB-KOXWRSSLSA-N 1 0 400.526 3.819 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000507642480 1002243999 /nfs/dbraw/zinc/24/39/99/1002243999.db2.gz CMGFYFCBAGQPPB-QPUCXAADSA-N 1 0 403.570 3.863 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000507654487 1002253001 /nfs/dbraw/zinc/25/30/01/1002253001.db2.gz ULUFBAFZUOOIMW-UHFFFAOYSA-N 1 0 403.526 3.653 20 30 HHEDRO CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507687624 1002280707 /nfs/dbraw/zinc/28/07/07/1002280707.db2.gz LPXJXKWGOWUHLU-FQEVSTJZSA-N 1 0 424.589 3.582 20 30 HHEDRO C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000507850832 1002389581 /nfs/dbraw/zinc/38/95/81/1002389581.db2.gz YWTSKPNQYMTKDJ-VKUXZERMSA-N 1 0 422.525 3.883 20 30 HHEDRO COc1ccc(C[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccc(OC)cc2)cc1 ZINC000499051262 1002432635 /nfs/dbraw/zinc/43/26/35/1002432635.db2.gz CJTCRYRFOSQIQZ-QHCPKHFHSA-N 1 0 421.541 3.920 20 30 HHEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c1 ZINC000507986646 1002515176 /nfs/dbraw/zinc/51/51/76/1002515176.db2.gz VFQNDUFILDOCJF-UHFFFAOYSA-N 1 0 400.482 3.988 20 30 HHEDRO CC[NH+]1CCC(N(c2ccccc2OC)S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000508108251 1002633653 /nfs/dbraw/zinc/63/36/53/1002633653.db2.gz ASUKFXVJRVEAPO-UHFFFAOYSA-N 1 0 413.543 3.555 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)cc1 ZINC000508267541 1002784028 /nfs/dbraw/zinc/78/40/28/1002784028.db2.gz VPJGMBYBRUNJFW-NRFANRHFSA-N 1 0 408.502 3.541 20 30 HHEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000499428971 1002813855 /nfs/dbraw/zinc/81/38/55/1002813855.db2.gz ZNWNQUTUKGNBDZ-QHCPKHFHSA-N 1 0 406.530 3.732 20 30 HHEDRO CCC[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+]1CCOC ZINC000499445776 1002832858 /nfs/dbraw/zinc/83/28/58/1002832858.db2.gz ZQNLLBHJVQBHIR-QHCPKHFHSA-N 1 0 421.541 3.710 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000508392926 1002883456 /nfs/dbraw/zinc/88/34/56/1002883456.db2.gz QQLNILDNVQQGNL-QHCPKHFHSA-N 1 0 406.530 3.722 20 30 HHEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000508478307 1002962784 /nfs/dbraw/zinc/96/27/84/1002962784.db2.gz QJSDHVSLOXXPAV-HXUWFJFHSA-N 1 0 420.561 3.616 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508489314 1002972136 /nfs/dbraw/zinc/97/21/36/1002972136.db2.gz NEOLCIBHTQEVCE-FSSWDIPSSA-N 1 0 407.562 3.774 20 30 HHEDRO C=CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508716951 1003157284 /nfs/dbraw/zinc/15/72/84/1003157284.db2.gz RPDXYEAGDROLHT-UYAOXDASSA-N 1 0 423.561 3.505 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508748360 1003184141 /nfs/dbraw/zinc/18/41/41/1003184141.db2.gz REBJJLMNXLZQHJ-SFHVURJKSA-N 1 0 401.942 3.761 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508807985 1003234800 /nfs/dbraw/zinc/23/48/00/1003234800.db2.gz FUMHRRRFHKYYKB-IRLDBZIGSA-N 1 0 407.562 3.634 20 30 HHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000508812650 1003237371 /nfs/dbraw/zinc/23/73/71/1003237371.db2.gz WVEJVPMQBXAGNK-UHFFFAOYSA-N 1 0 408.575 3.781 20 30 HHEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508828501 1003250586 /nfs/dbraw/zinc/25/05/86/1003250586.db2.gz VDHKFLJVXVPZLX-VXKWHMMOSA-N 1 0 407.562 3.774 20 30 HHEDRO C=CCn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](CCC)CC1 ZINC000508829502 1003251485 /nfs/dbraw/zinc/25/14/85/1003251485.db2.gz UWOLDVMBKFSYNE-UHFFFAOYSA-N 1 0 408.319 3.565 20 30 HHEDRO C[C@H]([NH2+]C1(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CCCC1)c1ccccc1 ZINC000499954868 1003275210 /nfs/dbraw/zinc/27/52/10/1003275210.db2.gz RUAAXFJKMHDCNX-INIZCTEOSA-N 1 0 424.932 3.930 20 30 HHEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000508868972 1003289167 /nfs/dbraw/zinc/28/91/67/1003289167.db2.gz YFIJYKWMTWUEOC-UHFFFAOYSA-N 1 0 418.570 3.949 20 30 HHEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000508879190 1003299158 /nfs/dbraw/zinc/29/91/58/1003299158.db2.gz DOSYNKFHGXBKIG-HSZRJFAPSA-N 1 0 415.541 3.771 20 30 HHEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000508889760 1003318823 /nfs/dbraw/zinc/31/88/23/1003318823.db2.gz UXTQXUAWDAMPIV-UHFFFAOYSA-N 1 0 403.530 3.770 20 30 HHEDRO CCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500008723 1003333093 /nfs/dbraw/zinc/33/30/93/1003333093.db2.gz VDJFVOVVYBZXHS-WIYYLYMNSA-N 1 0 407.514 3.630 20 30 HHEDRO C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508900128 1003333404 /nfs/dbraw/zinc/33/34/04/1003333404.db2.gz AHNZGXKNPYJBJY-FDDCHVKYSA-N 1 0 406.530 3.802 20 30 HHEDRO C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508900133 1003334187 /nfs/dbraw/zinc/33/41/87/1003334187.db2.gz AHNZGXKNPYJBJY-WZONZLPQSA-N 1 0 406.530 3.802 20 30 HHEDRO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000500018936 1003344942 /nfs/dbraw/zinc/34/49/42/1003344942.db2.gz ZTWMQDWYFQSKIC-SFHVURJKSA-N 1 0 420.513 3.779 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508915604 1003354946 /nfs/dbraw/zinc/35/49/46/1003354946.db2.gz XVPAMNWELBRTPX-UHFFFAOYSA-N 1 0 413.591 3.830 20 30 HHEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000508918210 1003356624 /nfs/dbraw/zinc/35/66/24/1003356624.db2.gz LXKHSOFCIHAMNU-IBGZPJMESA-N 1 0 418.545 3.726 20 30 HHEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508954122 1003411324 /nfs/dbraw/zinc/41/13/24/1003411324.db2.gz WTBRCLLUIHUWRT-UHFFFAOYSA-N 1 0 409.578 3.972 20 30 HHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508955429 1003413001 /nfs/dbraw/zinc/41/30/01/1003413001.db2.gz GLKYBHLBJGIFBW-UHFFFAOYSA-N 1 0 423.586 3.778 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000508957072 1003414810 /nfs/dbraw/zinc/41/48/10/1003414810.db2.gz WIMMIDMCRBXPIZ-UHFFFAOYSA-N 1 0 402.546 3.551 20 30 HHEDRO C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508960034 1003421959 /nfs/dbraw/zinc/42/19/59/1003421959.db2.gz IKXLEPOKCIJCJQ-AZUAARDMSA-N 1 0 423.561 3.601 20 30 HHEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508966482 1003435850 /nfs/dbraw/zinc/43/58/50/1003435850.db2.gz YLMYCDHJNWZOOH-UHFFFAOYSA-N 1 0 416.367 3.958 20 30 HHEDRO C=CCC[C@H](NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000500095817 1003457567 /nfs/dbraw/zinc/45/75/67/1003457567.db2.gz FEAHUVAQXNZVDT-MDZRGWNJSA-N 1 0 413.484 3.809 20 30 HHEDRO C=CCn1c(-c2cccc3ccccc32)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508996135 1003467816 /nfs/dbraw/zinc/46/78/16/1003467816.db2.gz NKNHLTZASMMQFE-LJQANCHMSA-N 1 0 417.557 3.974 20 30 HHEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000500655873 1003868711 /nfs/dbraw/zinc/86/87/11/1003868711.db2.gz IXKUMKYWZASTMP-UHFFFAOYSA-N 1 0 419.916 3.911 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000500747822 1003934948 /nfs/dbraw/zinc/93/49/48/1003934948.db2.gz ZATIAPNPCOVAAX-PXNSSMCTSA-N 1 0 407.562 3.931 20 30 HHEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000500829563 1003987485 /nfs/dbraw/zinc/98/74/85/1003987485.db2.gz DEWMWJHZFOUXIT-KRWDZBQOSA-N 1 0 415.534 3.549 20 30 HHEDRO CCCN(CC[NH+]1CCCCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000500884310 1004026842 /nfs/dbraw/zinc/02/68/42/1004026842.db2.gz FMOYQKKWGVHUJJ-UHFFFAOYSA-N 1 0 413.566 3.551 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNCc1ncc(I)s1)C(C)C ZINC000512137799 1004050318 /nfs/dbraw/zinc/05/03/18/1004050318.db2.gz VZOHUPLIRWZGHO-ZDUSSCGKSA-N 1 0 405.349 3.536 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512171391 1004074817 /nfs/dbraw/zinc/07/48/17/1004074817.db2.gz XICQVLZUMPIVLW-XLIONFOSSA-N 1 0 423.561 3.505 20 30 HHEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000512211564 1004112752 /nfs/dbraw/zinc/11/27/52/1004112752.db2.gz IERCCYXYPNUCOJ-HNNXBMFYSA-N 1 0 400.302 3.897 20 30 HHEDRO C[C@H](c1ccccc1)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 ZINC000512276636 1004176789 /nfs/dbraw/zinc/17/67/89/1004176789.db2.gz MGIZEZBNODPQRN-NQIIRXRSSA-N 1 0 408.571 3.683 20 30 HHEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1Cl ZINC000509988826 1004249804 /nfs/dbraw/zinc/24/98/04/1004249804.db2.gz ILYWVSLYMHPZHZ-GOSISDBHSA-N 1 0 400.906 3.674 20 30 HHEDRO CCOC(=O)C(C)(C)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000510081455 1004309715 /nfs/dbraw/zinc/30/97/15/1004309715.db2.gz ADNKKAUJBADONX-UHFFFAOYSA-N 1 0 413.562 3.851 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000512511794 1004352093 /nfs/dbraw/zinc/35/20/93/1004352093.db2.gz LWRLFNIZESDBTJ-QPPBQGQZSA-N 1 0 423.605 3.621 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501388321 1004384225 /nfs/dbraw/zinc/38/42/25/1004384225.db2.gz UCVMKAYYZZFWFA-CTNGQTDRSA-N 1 0 411.546 3.770 20 30 HHEDRO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512563410 1004387455 /nfs/dbraw/zinc/38/74/55/1004387455.db2.gz DKNGEQNQGRAAOU-KRWDZBQOSA-N 1 0 418.419 3.982 20 30 HHEDRO C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512696228 1004500774 /nfs/dbraw/zinc/50/07/74/1004500774.db2.gz ZPATYSQRIDXHEH-UYAOXDASSA-N 1 0 410.562 3.764 20 30 HHEDRO C=C(C)COc1cc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000512705856 1004507535 /nfs/dbraw/zinc/50/75/35/1004507535.db2.gz QYKKXCRNJQEWQL-OYRHEFFESA-N 1 0 401.595 3.641 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510405344 1004542536 /nfs/dbraw/zinc/54/25/36/1004542536.db2.gz BZJHUANQXLCYGN-DYESRHJHSA-N 1 0 405.477 3.758 20 30 HHEDRO C[C@]1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000501605974 1004547665 /nfs/dbraw/zinc/54/76/65/1004547665.db2.gz LAWACWVXRFJXIW-HXUWFJFHSA-N 1 0 402.420 3.757 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512812511 1004574667 /nfs/dbraw/zinc/57/46/67/1004574667.db2.gz VKUCLSPPCVHZCF-HXUWFJFHSA-N 1 0 410.489 3.709 20 30 HHEDRO COc1ccc(OCC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000512827260 1004586041 /nfs/dbraw/zinc/58/60/41/1004586041.db2.gz JIKLIWUGPUWXDQ-UHFFFAOYSA-N 1 0 415.421 3.536 20 30 HHEDRO N#CCCn1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000510476184 1004592645 /nfs/dbraw/zinc/59/26/45/1004592645.db2.gz XBKDBJZKRLJHMX-UHFFFAOYSA-N 1 0 405.546 3.688 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000501689414 1004606664 /nfs/dbraw/zinc/60/66/64/1004606664.db2.gz OYSRQBNTSQDXMC-QDSKXPNFSA-N 1 0 419.569 3.837 20 30 HHEDRO Cn1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000510524440 1004652273 /nfs/dbraw/zinc/65/22/73/1004652273.db2.gz PBJYCYDSFMXMGU-UHFFFAOYSA-N 1 0 417.469 3.910 20 30 HHEDRO C[C@@H]1CN(C2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)CCO1 ZINC000510561188 1004704379 /nfs/dbraw/zinc/70/43/79/1004704379.db2.gz UZYUOLPRQGCRRI-HXUWFJFHSA-N 1 0 405.542 3.822 20 30 HHEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510592272 1004739401 /nfs/dbraw/zinc/73/94/01/1004739401.db2.gz PEGWJUKKZQNYDX-HXUWFJFHSA-N 1 0 424.570 3.552 20 30 HHEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCn2cc(Br)cn2)c1 ZINC000513007651 1004756479 /nfs/dbraw/zinc/75/64/79/1004756479.db2.gz UAMBNEQRACSEBP-UHFFFAOYSA-N 1 0 411.303 3.886 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1OC ZINC000513013375 1004759180 /nfs/dbraw/zinc/75/91/80/1004759180.db2.gz YRTMFJSGMUCUET-UHFFFAOYSA-N 1 0 403.910 3.636 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000513108451 1004810783 /nfs/dbraw/zinc/81/07/83/1004810783.db2.gz OIIKSMGAFZHMAR-UHFFFAOYSA-N 1 0 418.476 3.801 20 30 HHEDRO COc1cc(C#N)ccc1OCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513188027 1004851945 /nfs/dbraw/zinc/85/19/45/1004851945.db2.gz LKAORBDTQMWVHW-NRFANRHFSA-N 1 0 420.431 3.956 20 30 HHEDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000513209037 1004862453 /nfs/dbraw/zinc/86/24/53/1004862453.db2.gz DSOOTCRUMWROCX-QGZVFWFLSA-N 1 0 403.954 3.709 20 30 HHEDRO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502165928 1004933957 /nfs/dbraw/zinc/93/39/57/1004933957.db2.gz KFJXGOPJBZBQQU-GOSISDBHSA-N 1 0 416.525 3.577 20 30 HHEDRO COc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1OCCCC#N ZINC000513386935 1004937825 /nfs/dbraw/zinc/93/78/25/1004937825.db2.gz SGIMFYSTFLPEDS-UHFFFAOYSA-N 1 0 400.548 3.542 20 30 HHEDRO CC1CCC(N(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C2CC2)CC1 ZINC000502183171 1004943966 /nfs/dbraw/zinc/94/39/66/1004943966.db2.gz DVKSZMXOJJYLCO-UHFFFAOYSA-N 1 0 422.573 3.778 20 30 HHEDRO N#CC1(F)CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000510943643 1004946825 /nfs/dbraw/zinc/94/68/25/1004946825.db2.gz BZZGWZPPKUMICE-FQEVSTJZSA-N 1 0 404.432 3.759 20 30 HHEDRO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502197633 1004952989 /nfs/dbraw/zinc/95/29/89/1004952989.db2.gz SFYCTDVNCSOXEZ-MSQSPTIYSA-N 1 0 410.562 3.538 20 30 HHEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000513454002 1004974138 /nfs/dbraw/zinc/97/41/38/1004974138.db2.gz BUZPPATZJIFFKL-INIZCTEOSA-N 1 0 409.711 3.846 20 30 HHEDRO C=CCOc1cccc(NC(=O)NCc2ccc(CN3CC[NH+](CC)CC3)cc2)c1 ZINC000511020190 1004982968 /nfs/dbraw/zinc/98/29/68/1004982968.db2.gz WQNXZJFKAGLORY-UHFFFAOYSA-N 1 0 408.546 3.711 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000513496387 1004990735 /nfs/dbraw/zinc/99/07/35/1004990735.db2.gz DMABMENEOLCQPN-UHFFFAOYSA-N 1 0 412.534 3.524 20 30 HHEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000502331064 1005016424 /nfs/dbraw/zinc/01/64/24/1005016424.db2.gz IRAPKGPUFNFQKT-OAQYLSRUSA-N 1 0 423.582 3.845 20 30 HHEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000502332545 1005017043 /nfs/dbraw/zinc/01/70/43/1005017043.db2.gz NJBUSSSCULKDDS-HXUWFJFHSA-N 1 0 415.497 3.922 20 30 HHEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000513562923 1005024784 /nfs/dbraw/zinc/02/47/84/1005024784.db2.gz NUSBHOVQDWXBGL-LJQANCHMSA-N 1 0 411.502 3.549 20 30 HHEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000511147853 1005044993 /nfs/dbraw/zinc/04/49/93/1005044993.db2.gz VKPBGXHBICISCR-UHFFFAOYSA-N 1 0 422.548 3.813 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511214912 1005078131 /nfs/dbraw/zinc/07/81/31/1005078131.db2.gz GKYBKDDCGZFFHY-IEBWSBKVSA-N 1 0 400.523 3.945 20 30 HHEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccco1 ZINC000513697412 1005086794 /nfs/dbraw/zinc/08/67/94/1005086794.db2.gz NIUDAACYBMOKJS-AZUAARDMSA-N 1 0 404.532 3.534 20 30 HHEDRO C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1=CC[N@H+](C)CC1 ZINC000511249554 1005090864 /nfs/dbraw/zinc/09/08/64/1005090864.db2.gz LNYGYLZJOZCAFG-MRXNPFEDSA-N 1 0 403.486 3.582 20 30 HHEDRO C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511250869 1005091824 /nfs/dbraw/zinc/09/18/24/1005091824.db2.gz HHKOVDVZSZLQON-QUCCMNQESA-N 1 0 410.562 3.764 20 30 HHEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1Cl ZINC000502549195 1005114005 /nfs/dbraw/zinc/11/40/05/1005114005.db2.gz ZWBRTNNGKQYSRT-HXUWFJFHSA-N 1 0 404.297 3.795 20 30 HHEDRO CC[C@@H]1C[C@]1([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cccc(C)c1 ZINC000502559712 1005118438 /nfs/dbraw/zinc/11/84/38/1005118438.db2.gz NSGLVENHBWHVAU-ZILOHOTNSA-N 1 0 422.598 3.680 20 30 HHEDRO CC(C)[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccc(F)cc1 ZINC000502564538 1005120771 /nfs/dbraw/zinc/12/07/71/1005120771.db2.gz VRWJDVQALQOOEY-UGKGYDQZSA-N 1 0 414.550 3.583 20 30 HHEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000513910782 1005183746 /nfs/dbraw/zinc/18/37/46/1005183746.db2.gz GGCFLZLPZBYRCQ-FQEVSTJZSA-N 1 0 424.932 3.567 20 30 HHEDRO O=C(NCC#Cc1cccc(F)c1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000513911918 1005184370 /nfs/dbraw/zinc/18/43/70/1005184370.db2.gz WMJURNLJNBXBJR-NRFANRHFSA-N 1 0 404.407 3.748 20 30 HHEDRO CC(C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)NCC1CCCC1 ZINC000502751724 1005201088 /nfs/dbraw/zinc/20/10/88/1005201088.db2.gz VVBKUBWATIUDEL-UHFFFAOYSA-N 1 0 416.591 3.502 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000513999696 1005221523 /nfs/dbraw/zinc/22/15/23/1005221523.db2.gz PFCWBZUMWRTTTI-UHFFFAOYSA-N 1 0 420.557 3.775 20 30 HHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c1 ZINC000511595169 1005238711 /nfs/dbraw/zinc/23/87/11/1005238711.db2.gz PCOGVYORCBSFOM-LJQANCHMSA-N 1 0 424.444 3.971 20 30 HHEDRO COc1cccc([C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N2CCCC2)c1 ZINC000514093526 1005262413 /nfs/dbraw/zinc/26/24/13/1005262413.db2.gz JGVUHCFFXZHUPP-VWLOTQADSA-N 1 0 404.558 3.962 20 30 HHEDRO COCCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1OC ZINC000514100091 1005265407 /nfs/dbraw/zinc/26/54/07/1005265407.db2.gz TWVXUZHQICQLBP-GOSISDBHSA-N 1 0 409.530 3.912 20 30 HHEDRO CC1(C)C[N@@H+](C2(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)CCCCC2)CCO1 ZINC000511701036 1005282712 /nfs/dbraw/zinc/28/27/12/1005282712.db2.gz OCTJBWJGZGNNOT-UHFFFAOYSA-N 1 0 413.537 3.659 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000511737963 1005299983 /nfs/dbraw/zinc/29/99/83/1005299983.db2.gz YYKUFBRTSLAROJ-UHFFFAOYSA-N 1 0 403.417 3.943 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc(OC)c1O ZINC000511745269 1005304201 /nfs/dbraw/zinc/30/42/01/1005304201.db2.gz ZLZGVHANOHRNFH-UHFFFAOYSA-N 1 0 401.551 3.726 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)CC1 ZINC000503025291 1005319284 /nfs/dbraw/zinc/31/92/84/1005319284.db2.gz BDBCUXYOWWHUID-FQEVSTJZSA-N 1 0 420.395 3.743 20 30 HHEDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000503140168 1005355791 /nfs/dbraw/zinc/35/57/91/1005355791.db2.gz SBUAKVAHPZPPFN-WWEVIYMKSA-N 1 0 413.562 3.760 20 30 HHEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000503280816 1005382990 /nfs/dbraw/zinc/38/29/90/1005382990.db2.gz NYEHMONVVOLOIB-HXUWFJFHSA-N 1 0 420.513 3.670 20 30 HHEDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1-c1cccc(C#N)c1 ZINC000503336162 1005392787 /nfs/dbraw/zinc/39/27/87/1005392787.db2.gz KVKDWZVUWJQJIX-XMSQKQJNSA-N 1 0 419.554 3.927 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000503342062 1005394070 /nfs/dbraw/zinc/39/40/70/1005394070.db2.gz FEJUBNWPDUFKNZ-UHFFFAOYSA-N 1 0 401.308 3.916 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CCCC23CCOCC3)c1C#N ZINC000503411440 1005412140 /nfs/dbraw/zinc/41/21/40/1005412140.db2.gz FOMPFXCDBSHXPQ-QFIPXVFZSA-N 1 0 420.557 3.902 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1)C(C)C ZINC000503414646 1005413194 /nfs/dbraw/zinc/41/31/94/1005413194.db2.gz YLLBTVGWIDJSTI-NRFANRHFSA-N 1 0 409.534 3.978 20 30 HHEDRO C[NH+]1CCC(N(c2cccc(F)c2)S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503461419 1005427197 /nfs/dbraw/zinc/42/71/97/1005427197.db2.gz GIIQLEZTFDZMNO-UHFFFAOYSA-N 1 0 407.898 3.640 20 30 HHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000503629108 1005468635 /nfs/dbraw/zinc/46/86/35/1005468635.db2.gz OLPQKZNMOKJHCU-UHFFFAOYSA-N 1 0 415.541 3.940 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000503641388 1005471490 /nfs/dbraw/zinc/47/14/90/1005471490.db2.gz 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C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCCC[C@H]1C ZINC000514695092 1006084775 /nfs/dbraw/zinc/08/47/75/1006084775.db2.gz VOUZLQHUDDXBSQ-OAQYLSRUSA-N 1 0 408.594 3.598 20 30 HHEDRO N#Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(C(F)(F)F)c1 ZINC000514696909 1006085542 /nfs/dbraw/zinc/08/55/42/1006085542.db2.gz LOLVGRGQMVYYEN-FPOVZHCZSA-N 1 0 403.448 3.550 20 30 HHEDRO N#Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(C(F)(F)F)c1 ZINC000514696915 1006085711 /nfs/dbraw/zinc/08/57/11/1006085711.db2.gz LOLVGRGQMVYYEN-PZJWPPBQSA-N 1 0 403.448 3.550 20 30 HHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000514800169 1006130082 /nfs/dbraw/zinc/13/00/82/1006130082.db2.gz ADTKGOHCPHGWFC-NRFANRHFSA-N 1 0 422.577 3.556 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000514802814 1006133796 /nfs/dbraw/zinc/13/37/96/1006133796.db2.gz UBYNHHWSKNGVIR-IYBDPMFKSA-N 1 0 418.607 3.730 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(=O)OC)c1ccccc1F 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C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000517524840 1007744179 /nfs/dbraw/zinc/74/41/79/1007744179.db2.gz IKZFNGLCFWLYSE-APWZRJJASA-N 1 0 416.591 3.646 20 30 HHEDRO CCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533431663 1007744575 /nfs/dbraw/zinc/74/45/75/1007744575.db2.gz UEYITUOEFFTRCO-NRSPTQNISA-N 1 0 422.491 3.699 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccccc2NCCC2=CCCCC2)c1C#N ZINC000535717636 1007756000 /nfs/dbraw/zinc/75/60/00/1007756000.db2.gz QWIBWISGJUYCCG-UHFFFAOYSA-N 1 0 406.534 3.988 20 30 HHEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)C ZINC000539490953 1007801814 /nfs/dbraw/zinc/80/18/14/1007801814.db2.gz JDFNBENSMHJXBX-OFNKIYASSA-N 1 0 410.587 3.752 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000533495179 1007806204 /nfs/dbraw/zinc/80/62/04/1007806204.db2.gz YMRHNXYRJXBDJK-HXUWFJFHSA-N 1 0 408.502 3.622 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000533511462 1007829782 /nfs/dbraw/zinc/82/97/82/1007829782.db2.gz LQVYZVLXMDDIMQ-VWNVYAMZSA-N 1 0 400.542 3.798 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(OC)c1 ZINC000533512359 1007830402 /nfs/dbraw/zinc/83/04/02/1007830402.db2.gz CLSJCRMRRQQZGO-BLKABHOGSA-N 1 0 402.579 3.501 20 30 HHEDRO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@@H]1CCCCO1 ZINC000533521027 1007840499 /nfs/dbraw/zinc/84/04/99/1007840499.db2.gz PDGSUJBSVUMLDC-IBGZPJMESA-N 1 0 412.534 3.838 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@@H](C)CCSC)cc1 ZINC000533529434 1007849005 /nfs/dbraw/zinc/84/90/05/1007849005.db2.gz YKWMBJBEKSYJSJ-HNNXBMFYSA-N 1 0 414.575 3.986 20 30 HHEDRO C[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@H+](C)Cc1ccccc1 ZINC000517657321 1007869087 /nfs/dbraw/zinc/86/90/87/1007869087.db2.gz PSUKDCRNWGPBED-SFHVURJKSA-N 1 0 403.482 3.981 20 30 HHEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000539610253 1007926495 /nfs/dbraw/zinc/92/64/95/1007926495.db2.gz RNJJWGNTKCZYPE-INIZCTEOSA-N 1 0 401.507 3.723 20 30 HHEDRO COC(=O)c1cccc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1C#N ZINC000535923295 1007943889 /nfs/dbraw/zinc/94/38/89/1007943889.db2.gz MFAZNROHVJAOEL-UHFFFAOYSA-N 1 0 406.461 3.939 20 30 HHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cccc(OCc4ccccc4C#N)c3)C2)CC1 ZINC000533701048 1008024511 /nfs/dbraw/zinc/02/45/11/1008024511.db2.gz OWZIXHTUPCMNJN-QFIPXVFZSA-N 1 0 403.526 3.941 20 30 HHEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)c1 ZINC000517907905 1008050661 /nfs/dbraw/zinc/05/06/61/1008050661.db2.gz KURLQOLLGNWSMV-OAQYLSRUSA-N 1 0 402.494 3.995 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000517911908 1008053249 /nfs/dbraw/zinc/05/32/49/1008053249.db2.gz GONJIGRKPGSBIC-UHFFFAOYSA-N 1 0 408.546 3.661 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)CSCc2ccc(Br)cc2F)CC1 ZINC000517983987 1008086851 /nfs/dbraw/zinc/08/68/51/1008086851.db2.gz IJDLSSYXUGKFCO-UHFFFAOYSA-N 1 0 415.372 3.978 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2SCc2occc2C(=O)OC)CC1 ZINC000517988559 1008088632 /nfs/dbraw/zinc/08/86/32/1008088632.db2.gz PLGHEPXYILMMMA-UHFFFAOYSA-N 1 0 414.527 3.739 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000518016155 1008105245 /nfs/dbraw/zinc/10/52/45/1008105245.db2.gz ACMRULXYNHFHBK-UHFFFAOYSA-N 1 0 404.558 3.699 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000518159219 1008187989 /nfs/dbraw/zinc/18/79/89/1008187989.db2.gz KWCBRRGNGGISPN-ROUUACIJSA-N 1 0 416.591 3.505 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000518296891 1008246689 /nfs/dbraw/zinc/24/66/89/1008246689.db2.gz DFOHOLIAMISWLT-HSZRJFAPSA-N 1 0 412.578 3.761 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540057490 1008263791 /nfs/dbraw/zinc/26/37/91/1008263791.db2.gz QGZAPTQXWNACFW-INIZCTEOSA-N 1 0 407.392 3.513 20 30 HHEDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000540183305 1008326328 /nfs/dbraw/zinc/32/63/28/1008326328.db2.gz GWHXNWJDSNRGDQ-CQSZACIVSA-N 1 0 407.392 3.843 20 30 HHEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000518632905 1008373092 /nfs/dbraw/zinc/37/30/92/1008373092.db2.gz BAKDUFDASSCYGF-UHFFFAOYSA-N 1 0 415.578 3.816 20 30 HHEDRO COc1cc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1OCc1ccncc1 ZINC000540350989 1008393404 /nfs/dbraw/zinc/39/34/04/1008393404.db2.gz GCQFVSGHHRYNEI-SFHVURJKSA-N 1 0 422.529 3.662 20 30 HHEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000540363469 1008400299 /nfs/dbraw/zinc/40/02/99/1008400299.db2.gz NPMDIUHKUDFHSI-AWEZNQCLSA-N 1 0 412.433 3.624 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000518750420 1008413613 /nfs/dbraw/zinc/41/36/13/1008413613.db2.gz NRWWHUHJLMMMFP-IAGOWNOFSA-N 1 0 416.591 3.646 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518751264 1008413902 /nfs/dbraw/zinc/41/39/02/1008413902.db2.gz MIXHVWXYFLCBQR-ROUUACIJSA-N 1 0 420.513 3.526 20 30 HHEDRO C=CCOc1cccnc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000540394103 1008414696 /nfs/dbraw/zinc/41/46/96/1008414696.db2.gz DMALTSSMWUMACC-UHFFFAOYSA-N 1 0 408.502 3.713 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccccc1 ZINC000518815899 1008430126 /nfs/dbraw/zinc/43/01/26/1008430126.db2.gz XGROEXLXGBZGNG-DENIHFKCSA-N 1 0 418.541 3.626 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000540435624 1008433160 /nfs/dbraw/zinc/43/31/60/1008433160.db2.gz NVELNLAUTJVLIR-LJQANCHMSA-N 1 0 417.513 3.868 20 30 HHEDRO Cc1ccc(C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C(C)C)s1 ZINC000540468309 1008443072 /nfs/dbraw/zinc/44/30/72/1008443072.db2.gz WJZYEGPZWWXRMK-IBGZPJMESA-N 1 0 416.616 3.738 20 30 HHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000519051031 1008511696 /nfs/dbraw/zinc/51/16/96/1008511696.db2.gz MDVHPVIDIYVWKA-TZIWHRDSSA-N 1 0 412.578 3.567 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)n2)c(Cl)c1 ZINC000542957663 1008529504 /nfs/dbraw/zinc/52/95/04/1008529504.db2.gz QQJGEPDTSNSDFK-UHFFFAOYSA-N 1 0 412.925 3.880 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000542958038 1008530104 /nfs/dbraw/zinc/53/01/04/1008530104.db2.gz XHNBYNIMJNVSIU-QGZVFWFLSA-N 1 0 414.941 3.887 20 30 HHEDRO CS[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1[NH+](C)C ZINC000545421710 1008531313 /nfs/dbraw/zinc/53/13/13/1008531313.db2.gz CLEYIGAWBVTAFE-FCHUYYIVSA-N 1 0 424.570 3.841 20 30 HHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000548948358 1008534238 /nfs/dbraw/zinc/53/42/38/1008534238.db2.gz QSXJKDWZBMIJBJ-JOCHJYFZSA-N 1 0 414.642 3.582 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000548957243 1008541238 /nfs/dbraw/zinc/54/12/38/1008541238.db2.gz FLULRMUSRPGRDJ-GOTSBHOMSA-N 1 0 422.621 3.611 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1Cl ZINC000542968258 1008541417 /nfs/dbraw/zinc/54/14/17/1008541417.db2.gz WYCMOVQGPSYFEB-DEXQXJORSA-N 1 0 417.962 3.983 20 30 HHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)cc1OC ZINC000548960510 1008543485 /nfs/dbraw/zinc/54/34/85/1008543485.db2.gz HKPZOHMAGDQUIM-HXUWFJFHSA-N 1 0 413.562 3.834 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000519142357 1008562689 /nfs/dbraw/zinc/56/26/89/1008562689.db2.gz JDIDRKGZDASTSS-UHFFFAOYSA-N 1 0 401.514 3.847 20 30 HHEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542990248 1008570523 /nfs/dbraw/zinc/57/05/23/1008570523.db2.gz OMRCAQRLYDMWPR-UHFFFAOYSA-N 1 0 403.417 3.943 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549037910 1008605649 /nfs/dbraw/zinc/60/56/49/1008605649.db2.gz XFFMTHCTVVHFFX-JJXUHFIVSA-N 1 0 408.949 3.601 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)c(OCC)c(OC)c2)CC1 ZINC000519271038 1008679526 /nfs/dbraw/zinc/67/95/26/1008679526.db2.gz IBGFYTBAASTENV-UHFFFAOYSA-N 1 0 411.340 3.627 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(CC)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000519271097 1008679795 /nfs/dbraw/zinc/67/97/95/1008679795.db2.gz QZJWYJKRNAAEBI-UHFFFAOYSA-N 1 0 422.360 3.907 20 30 HHEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000549235881 1008807666 /nfs/dbraw/zinc/80/76/66/1008807666.db2.gz PYMZAEMLLCHOIR-XPWALMASSA-N 1 0 417.509 3.825 20 30 HHEDRO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000549279151 1008848920 /nfs/dbraw/zinc/84/89/20/1008848920.db2.gz GJOULRXUZZBRIP-UHFFFAOYSA-N 1 0 415.607 3.972 20 30 HHEDRO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC000549288208 1008859690 /nfs/dbraw/zinc/85/96/90/1008859690.db2.gz RZGQKLBDROBVRX-UHFFFAOYSA-N 1 0 423.586 3.859 20 30 HHEDRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCCCC1 ZINC000543286307 1008860929 /nfs/dbraw/zinc/86/09/29/1008860929.db2.gz OLSXLQBVPPZLAR-GOSISDBHSA-N 1 0 420.513 3.670 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519511520 1008885388 /nfs/dbraw/zinc/88/53/88/1008885388.db2.gz DMSALSBZAYWHFL-OAQYLSRUSA-N 1 0 408.502 3.957 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000519511527 1008885470 /nfs/dbraw/zinc/88/54/70/1008885470.db2.gz FZGPOQHUNOIIEK-HXUWFJFHSA-N 1 0 400.454 3.734 20 30 HHEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000519649039 1008940267 /nfs/dbraw/zinc/94/02/67/1008940267.db2.gz MFDUTHAOQRLXKH-IBGZPJMESA-N 1 0 420.561 3.752 20 30 HHEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(C)s1 ZINC000543460067 1009045844 /nfs/dbraw/zinc/04/58/44/1009045844.db2.gz HGOKVCIQUJPPER-IIBYNOLFSA-N 1 0 414.550 3.564 20 30 HHEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549483874 1009084919 /nfs/dbraw/zinc/08/49/19/1009084919.db2.gz UZPJHLWCSFCPSE-DENIHFKCSA-N 1 0 416.447 3.729 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520008082 1009161838 /nfs/dbraw/zinc/16/18/38/1009161838.db2.gz UUHHECQELGCBLL-SFHVURJKSA-N 1 0 420.513 3.670 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000543585545 1009189600 /nfs/dbraw/zinc/18/96/00/1009189600.db2.gz SLNKQYAGTMDTOJ-HXUWFJFHSA-N 1 0 420.557 3.854 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[NH+](C)C)cc1 ZINC000520085994 1009244865 /nfs/dbraw/zinc/24/48/65/1009244865.db2.gz ODIQFHWAHMAZLR-FQEVSTJZSA-N 1 0 403.448 3.967 20 30 HHEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000546225160 1009252050 /nfs/dbraw/zinc/25/20/50/1009252050.db2.gz GHPWQQVDTOFPIZ-KNQAVFIVSA-N 1 0 408.521 3.502 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000549657409 1009285726 /nfs/dbraw/zinc/28/57/26/1009285726.db2.gz CLFJREMMQGGPTA-UHFFFAOYSA-N 1 0 413.541 3.742 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000549658626 1009287260 /nfs/dbraw/zinc/28/72/60/1009287260.db2.gz ZFPBXBLTRRWBKQ-OYRHEFFESA-N 1 0 408.594 3.516 20 30 HHEDRO COc1ccccc1[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1noc(C)n1 ZINC000543769775 1009339593 /nfs/dbraw/zinc/33/95/93/1009339593.db2.gz GXYTXHJTAOSUTE-HSZRJFAPSA-N 1 0 417.513 3.602 20 30 HHEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000520242632 1009362919 /nfs/dbraw/zinc/36/29/19/1009362919.db2.gz ZUIUDCYHMJARFT-FQEVSTJZSA-N 1 0 408.502 3.565 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(F)cc1 ZINC000520332055 1009466478 /nfs/dbraw/zinc/46/64/78/1009466478.db2.gz WYWPSNCRDQITBL-OAQYLSRUSA-N 1 0 404.445 3.917 20 30 HHEDRO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543945761 1009540061 /nfs/dbraw/zinc/54/00/61/1009540061.db2.gz LXUUJMKBIUWGRC-IBGZPJMESA-N 1 0 406.530 3.698 20 30 HHEDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000520586164 1009666198 /nfs/dbraw/zinc/66/61/98/1009666198.db2.gz KLOQUZRXNWRISF-UHFFFAOYSA-N 1 0 403.526 3.853 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2OC)[NH+]2CCCCC2)cc1 ZINC000546708989 1009692661 /nfs/dbraw/zinc/69/26/61/1009692661.db2.gz MUHLHFBJWBAYKH-OAQYLSRUSA-N 1 0 408.502 3.924 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125931 1009734700 /nfs/dbraw/zinc/73/47/00/1009734700.db2.gz SQUFHSFUAFNALK-ILBGXUMGSA-N 1 0 416.525 3.882 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000520682771 1009753147 /nfs/dbraw/zinc/75/31/47/1009753147.db2.gz ONIKZBJLJSGFCH-UHFFFAOYSA-N 1 0 415.559 3.906 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000520696664 1009763504 /nfs/dbraw/zinc/76/35/04/1009763504.db2.gz KJGDTVXJWCAQSL-UHFFFAOYSA-N 1 0 414.377 3.928 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCCO[C@H](C(C)C)C2)c1C#N ZINC000550190139 1009764994 /nfs/dbraw/zinc/76/49/94/1009764994.db2.gz WYEMFQTVRFSSOZ-NRFANRHFSA-N 1 0 412.534 3.693 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CCCc3ccccc3)cc2)CC1 ZINC000520701153 1009769479 /nfs/dbraw/zinc/76/94/79/1009769479.db2.gz HRCYZAPTJCMBJE-UHFFFAOYSA-N 1 0 419.569 3.957 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000544176170 1009780580 /nfs/dbraw/zinc/78/05/80/1009780580.db2.gz RYIGUPCUXCKGSP-LADGPHEKSA-N 1 0 406.530 3.511 20 30 HHEDRO C=CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(OC)cc1 ZINC000550306557 1009849927 /nfs/dbraw/zinc/84/99/27/1009849927.db2.gz BNRCIYPXXZEIPK-UHFFFAOYSA-N 1 0 421.585 3.772 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521046020 1010072109 /nfs/dbraw/zinc/07/21/09/1010072109.db2.gz BTLIZYFRFUEFSR-UHFFFAOYSA-N 1 0 406.574 3.639 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000521277750 1010272905 /nfs/dbraw/zinc/27/29/05/1010272905.db2.gz ZEXKNIFTPFNHFL-UHFFFAOYSA-N 1 0 403.477 3.655 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)COc2ncccc2C(F)(F)F)CC1 ZINC000544663599 1010283131 /nfs/dbraw/zinc/28/31/31/1010283131.db2.gz AZWCACVEFPIBIU-UHFFFAOYSA-N 1 0 414.472 3.598 20 30 HHEDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000521332028 1010311343 /nfs/dbraw/zinc/31/13/43/1010311343.db2.gz WUVRJTPTYGNWGA-ZWKOTPCHSA-N 1 0 420.513 3.668 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000544746584 1010350869 /nfs/dbraw/zinc/35/08/69/1010350869.db2.gz RRPOWRZPFVUGSG-OALUTQOASA-N 1 0 403.592 3.668 20 30 HHEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000551420133 1010575581 /nfs/dbraw/zinc/57/55/81/1010575581.db2.gz VIYVZEXAJSQHAA-WOJBJXKFSA-N 1 0 411.468 3.817 20 30 HHEDRO N#CCCSc1ccccc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000521738706 1010583910 /nfs/dbraw/zinc/58/39/10/1010583910.db2.gz PLIBPTKOZVLYJS-UHFFFAOYSA-N 1 0 422.554 3.543 20 30 HHEDRO Cc1c2c(nc(S[C@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c1C#N)CCC2 ZINC000521799331 1010626716 /nfs/dbraw/zinc/62/67/16/1010626716.db2.gz WMNOBMLPJJFSQP-IEBWSBKVSA-N 1 0 420.582 3.622 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000521805607 1010632158 /nfs/dbraw/zinc/63/21/58/1010632158.db2.gz MGZFEEQABMJLMQ-ZWKOTPCHSA-N 1 0 416.591 3.790 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521807417 1010633243 /nfs/dbraw/zinc/63/32/43/1010633243.db2.gz KVXXAMJDBJSADE-KSZLIROESA-N 1 0 416.591 3.504 20 30 HHEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)n1Cc1ccncc1 ZINC000545170170 1010666583 /nfs/dbraw/zinc/66/65/83/1010666583.db2.gz XRQZNXUQFGZRPT-UHFFFAOYSA-N 1 0 415.541 3.624 20 30 HHEDRO C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000548608948 1010680757 /nfs/dbraw/zinc/68/07/57/1010680757.db2.gz QXASNGQVPBTOFA-AWEZNQCLSA-N 1 0 400.885 3.594 20 30 HHEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000521886426 1010686426 /nfs/dbraw/zinc/68/64/26/1010686426.db2.gz WOMCAZXPMGWZOO-VQIMIIECSA-N 1 0 403.313 3.981 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1Cl ZINC000551708500 1010752494 /nfs/dbraw/zinc/75/24/94/1010752494.db2.gz VSAONLUAGFRFQI-QFIPXVFZSA-N 1 0 424.976 3.754 20 30 HHEDRO CCOC(=O)C1CCC([N@H+](CC)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000548939684 1010771706 /nfs/dbraw/zinc/77/17/06/1010771706.db2.gz QFFITTQPXXEXRO-UHFFFAOYSA-N 1 0 417.575 3.881 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000522087597 1010801646 /nfs/dbraw/zinc/80/16/46/1010801646.db2.gz KRWQWUSXVXWOPT-UHFFFAOYSA-N 1 0 421.545 3.808 20 30 HHEDRO C=CCc1cc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000522106776 1010815920 /nfs/dbraw/zinc/81/59/20/1010815920.db2.gz GBFORDVGHDBFKL-KRWDZBQOSA-N 1 0 403.567 3.742 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000522430726 1011005485 /nfs/dbraw/zinc/00/54/85/1011005485.db2.gz FTZIUOBGFIIUSU-QZTJIDSGSA-N 1 0 423.536 3.961 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000522455102 1011023346 /nfs/dbraw/zinc/02/33/46/1011023346.db2.gz PXAXKUGWRRINMG-UHFFFAOYSA-N 1 0 419.554 3.955 20 30 HHEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(Br)c1 ZINC000522583797 1011093102 /nfs/dbraw/zinc/09/31/02/1011093102.db2.gz WDAKOSDVKWEHHZ-UHFFFAOYSA-N 1 0 416.319 3.533 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CC1 ZINC000522708049 1011170277 /nfs/dbraw/zinc/17/02/77/1011170277.db2.gz CINPEMLAEBSQKC-UHFFFAOYSA-N 1 0 411.506 3.763 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(C[N@@H+](C)CCCC)CC2)c1 ZINC000522774234 1011208358 /nfs/dbraw/zinc/20/83/58/1011208358.db2.gz MPUZPXAXYJRXKF-UHFFFAOYSA-N 1 0 401.551 3.551 20 30 HHEDRO N#Cc1ccc2ncc(CNc3cccc(NC(=O)C[NH+]4CCCCCC4)c3)n2c1 ZINC000536103229 1011222268 /nfs/dbraw/zinc/22/22/68/1011222268.db2.gz NLQYMJPNVHQANG-UHFFFAOYSA-N 1 0 402.502 3.633 20 30 HHEDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000540575901 1011233076 /nfs/dbraw/zinc/23/30/76/1011233076.db2.gz XQAWWKZRZHGEEL-DYESRHJHSA-N 1 0 405.926 3.607 20 30 HHEDRO N#CCCn1cc(C[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(-c2ccccc2)n1 ZINC000540697933 1011350517 /nfs/dbraw/zinc/35/05/17/1011350517.db2.gz KMNBILGZAYEYSD-SFHVURJKSA-N 1 0 421.451 3.637 20 30 HHEDRO Cc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nn1CCC#N ZINC000540819398 1011482243 /nfs/dbraw/zinc/48/22/43/1011482243.db2.gz UKFRJBVGWRCGJM-SFHVURJKSA-N 1 0 400.914 3.717 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000540864681 1011540123 /nfs/dbraw/zinc/54/01/23/1011540123.db2.gz ODXSSNDMRATIPV-LJQANCHMSA-N 1 0 400.486 3.552 20 30 HHEDRO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000536375780 1011584457 /nfs/dbraw/zinc/58/44/57/1011584457.db2.gz YHPLDTGXNXACRO-FGZHOGPDSA-N 1 0 411.505 3.590 20 30 HHEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000540981210 1011615261 /nfs/dbraw/zinc/61/52/61/1011615261.db2.gz LUCBEVAJIZSDDQ-AEFFLSMTSA-N 1 0 418.476 3.840 20 30 HHEDRO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000523226822 1011715793 /nfs/dbraw/zinc/71/57/93/1011715793.db2.gz HEKJHFASSLMZCM-NRFANRHFSA-N 1 0 401.466 3.735 20 30 HHEDRO C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541095558 1011740489 /nfs/dbraw/zinc/74/04/89/1011740489.db2.gz XFLMTVZETDUAOI-QGZVFWFLSA-N 1 0 402.502 3.866 20 30 HHEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105946 1011753321 /nfs/dbraw/zinc/75/33/21/1011753321.db2.gz AVTOPJPJXXWGPZ-FDDCHVKYSA-N 1 0 406.530 3.696 20 30 HHEDRO N#Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)nc1 ZINC000523306913 1011784578 /nfs/dbraw/zinc/78/45/78/1011784578.db2.gz ZLKSQNCAPQHVBU-UHFFFAOYSA-N 1 0 411.509 3.523 20 30 HHEDRO COCC[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)Cc1ccc(C#N)cc1 ZINC000536756952 1011948766 /nfs/dbraw/zinc/94/87/66/1011948766.db2.gz RWOORVNQHDNVKL-UHFFFAOYSA-N 1 0 421.570 3.715 20 30 HHEDRO N#CC1(NC(=O)c2cnc(OCC3CC3)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000541271471 1011961152 /nfs/dbraw/zinc/96/11/52/1011961152.db2.gz VTIWNLSENAQOIY-UHFFFAOYSA-N 1 0 424.932 3.812 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000541380439 1012098930 /nfs/dbraw/zinc/09/89/30/1012098930.db2.gz LCPUKQGSIPUFPH-GMAHTHKFSA-N 1 0 410.493 3.591 20 30 HHEDRO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000552099741 1012117415 /nfs/dbraw/zinc/11/74/15/1012117415.db2.gz RLGNWEMWMNZHNK-NSHDSACASA-N 1 0 417.336 3.695 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000523573775 1012119846 /nfs/dbraw/zinc/11/98/46/1012119846.db2.gz CKHBBZWDKMBYPC-MRXNPFEDSA-N 1 0 401.507 3.550 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000552147689 1012168317 /nfs/dbraw/zinc/16/83/17/1012168317.db2.gz VSTHWDKWSSYVEB-UHFFFAOYSA-N 1 0 403.482 3.771 20 30 HHEDRO CC(C)N1CCc2nc(NC(=O)CCCC(=O)Nc3ccccc3C#N)sc2C1 ZINC000541457431 1012217457 /nfs/dbraw/zinc/21/74/57/1012217457.db2.gz GKVVPZXEOVJVSW-UHFFFAOYSA-N 1 0 411.531 3.529 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000523637959 1012226758 /nfs/dbraw/zinc/22/67/58/1012226758.db2.gz SSARUXXRRWMMCY-OAQYLSRUSA-N 1 0 420.557 3.538 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000541494395 1012270285 /nfs/dbraw/zinc/27/02/85/1012270285.db2.gz FSJMEGVINJGFCJ-HXUWFJFHSA-N 1 0 414.550 3.559 20 30 HHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C)c2C#N)c1 ZINC000536989412 1012291599 /nfs/dbraw/zinc/29/15/99/1012291599.db2.gz KKXDVUARLXHJFU-UHFFFAOYSA-N 1 0 406.530 3.744 20 30 HHEDRO C[C@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)Sc1ccc(Br)cc1 ZINC000523735403 1012353550 /nfs/dbraw/zinc/35/35/50/1012353550.db2.gz KGKCGZVAOXKEBK-PXAZEXFGSA-N 1 0 404.333 3.618 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000537109036 1012482644 /nfs/dbraw/zinc/48/26/44/1012482644.db2.gz UNRORBZRHDRFJA-OALUTQOASA-N 1 0 404.514 3.799 20 30 HHEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)c3ccc(CC#N)cc3)cc2)C[C@@H]1C ZINC000537140982 1012532867 /nfs/dbraw/zinc/53/28/67/1012532867.db2.gz CZYOXYHEGMNCGX-PMACEKPBSA-N 1 0 405.542 3.692 20 30 HHEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC(=O)Nc3cc(Cl)ccc3C#N)ccc2NC1=O ZINC000537156740 1012553596 /nfs/dbraw/zinc/55/35/96/1012553596.db2.gz WEBKMWNVVLJPNE-XIKOKIGWSA-N 1 0 412.877 3.610 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000541718028 1012568052 /nfs/dbraw/zinc/56/80/52/1012568052.db2.gz BGJLMCPONZRXPR-IBGZPJMESA-N 1 0 424.545 3.838 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(OCC(F)(F)F)c(F)c3)C2=O)cc1 ZINC000541763651 1012627719 /nfs/dbraw/zinc/62/77/19/1012627719.db2.gz RJFOWWRAIPXISX-SFHVURJKSA-N 1 0 421.394 3.924 20 30 HHEDRO CC(C)C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1ccccc1 ZINC000537287651 1012743788 /nfs/dbraw/zinc/74/37/88/1012743788.db2.gz GMJMHYCOEXUKPY-SFTDATJTSA-N 1 0 410.587 3.834 20 30 HHEDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000537288027 1012745061 /nfs/dbraw/zinc/74/50/61/1012745061.db2.gz ZTTPKYNQMPOPMT-AUSIDOKSSA-N 1 0 408.521 3.502 20 30 HHEDRO CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000537289585 1012747127 /nfs/dbraw/zinc/74/71/27/1012747127.db2.gz IAZIPMRYDRRBEU-RTBURBONSA-N 1 0 416.978 3.851 20 30 HHEDRO C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc(C#N)c1 ZINC000537295635 1012753560 /nfs/dbraw/zinc/75/35/60/1012753560.db2.gz NGGYWHUVEBVZKV-INIZCTEOSA-N 1 0 403.573 3.688 20 30 HHEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000537304668 1012763164 /nfs/dbraw/zinc/76/31/64/1012763164.db2.gz TVZNIZHXEAOJJA-OAQYLSRUSA-N 1 0 408.933 3.571 20 30 HHEDRO N#Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)cc2)c1 ZINC000524071589 1012834683 /nfs/dbraw/zinc/83/46/83/1012834683.db2.gz ALXHUEHLNJGTPY-LJQANCHMSA-N 1 0 420.513 3.973 20 30 HHEDRO C[NH+]1CCN(c2cccc(Cl)c2CNc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000542019369 1012910496 /nfs/dbraw/zinc/91/04/96/1012910496.db2.gz CPNQEODRPLOJPY-UHFFFAOYSA-N 1 0 424.911 3.900 20 30 HHEDRO CCC[NH+]1CCC(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000542033756 1012931566 /nfs/dbraw/zinc/93/15/66/1012931566.db2.gz QTNORGHUWVYXAD-UHFFFAOYSA-N 1 0 400.914 3.641 20 30 HHEDRO CN(CC1CC[NH+](C)CC1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552952985 1012939997 /nfs/dbraw/zinc/93/99/97/1012939997.db2.gz YNBFRSUPPDFEPB-UHFFFAOYSA-N 1 0 402.970 3.618 20 30 HHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000553032854 1013009471 /nfs/dbraw/zinc/00/94/71/1013009471.db2.gz BGXKIEFQMQXNMC-SIKLNZKXSA-N 1 0 420.532 3.647 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(-c4ncco4)cc3)CC2)cc1 ZINC000537512745 1013025462 /nfs/dbraw/zinc/02/54/62/1013025462.db2.gz YXLFASQNAAEUOD-UHFFFAOYSA-N 1 0 401.470 3.953 20 30 HHEDRO Cc1cc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)nn1CCC#N ZINC000537515248 1013029973 /nfs/dbraw/zinc/02/99/73/1013029973.db2.gz DQIKJJQPRLFKMP-QZTJIDSGSA-N 1 0 408.550 3.905 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000553060678 1013033913 /nfs/dbraw/zinc/03/39/13/1013033913.db2.gz JMTPXVVPHBLSNJ-BVYCBKJFSA-N 1 0 420.532 3.693 20 30 HHEDRO CC[C@@H](C)[N@H+](C)CCn1c(C2CC2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001545668789 1071973540 /nfs/dbraw/zinc/97/35/40/1071973540.db2.gz YEEPKLKNGYPTLT-GOSISDBHSA-N 1 0 422.577 3.805 20 30 HHEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000614922597 1071986579 /nfs/dbraw/zinc/98/65/79/1071986579.db2.gz YBSIRSMNMWYUIO-SFHVURJKSA-N 1 0 415.481 3.870 20 30 HHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)CCCCCC#N)CC1 ZINC001626001506 1072051876 /nfs/dbraw/zinc/05/18/76/1072051876.db2.gz OCAAXGYNMMVAFL-BGYRXZFFSA-N 1 0 418.582 3.535 20 30 HHEDRO C[C@H](N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1ccccc1C#N ZINC000612051936 1072219524 /nfs/dbraw/zinc/21/95/24/1072219524.db2.gz XYCKYUKKCFOADW-GDXZIDHASA-N 1 0 402.542 3.776 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C#N ZINC000760309556 1072237911 /nfs/dbraw/zinc/23/79/11/1072237911.db2.gz JYSSEJCECOLOTK-UHFFFAOYSA-N 1 0 424.936 3.676 20 30 HHEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cc3cccc(OCC#N)c3)cc2)C1 ZINC000760369771 1072284111 /nfs/dbraw/zinc/28/41/11/1072284111.db2.gz YAQIBMBJCCGGKD-BGYRXZFFSA-N 1 0 405.542 3.926 20 30 HHEDRO N#CCOc1cccc(CC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000760392705 1072315791 /nfs/dbraw/zinc/31/57/91/1072315791.db2.gz VPLMJUXLXXGPHX-UHFFFAOYSA-N 1 0 420.513 3.585 20 30 HHEDRO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C1CCN(CC#N)CC1 ZINC000586776883 1072413278 /nfs/dbraw/zinc/41/32/78/1072413278.db2.gz CSQNWQRHBNWGLY-GFCCVEGCSA-N 1 0 402.848 3.653 20 30 HHEDRO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](NC(=O)CCOCC)c1ccnc2ccc(OC)cc21 ZINC001142525616 1072418793 /nfs/dbraw/zinc/41/87/93/1072418793.db2.gz FJBHHZSJWDVUNC-DWYHVSQESA-N 1 0 423.557 3.724 20 30 HHEDRO C[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806000 1072429472 /nfs/dbraw/zinc/42/94/72/1072429472.db2.gz OYRYDXKJVZXNLJ-PXNSSMCTSA-N 1 0 412.553 3.683 20 30 HHEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([C@H]4CCOC4)CC3)sc2C1 ZINC000612131502 1072432471 /nfs/dbraw/zinc/43/24/71/1072432471.db2.gz QWCBUWBWUIIJSK-RDJZCZTQSA-N 1 0 401.576 3.822 20 30 HHEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001691580218 1072481939 /nfs/dbraw/zinc/48/19/39/1072481939.db2.gz ORJAUSFQCIQBHM-NQIIRXRSSA-N 1 0 405.550 3.676 20 30 HHEDRO Cc1cccc2c1ncc(C#N)c2N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000588070543 1072776932 /nfs/dbraw/zinc/77/69/32/1072776932.db2.gz SWOKAGHVGSHHDV-QHCPKHFHSA-N 1 0 411.553 3.811 20 30 HHEDRO C=C(C)COc1cc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OC ZINC000479394185 1072807489 /nfs/dbraw/zinc/80/74/89/1072807489.db2.gz NMURQHKPQZAWSW-GOSISDBHSA-N 1 0 403.544 3.911 20 30 HHEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000571779899 1072852349 /nfs/dbraw/zinc/85/23/49/1072852349.db2.gz DTOOUGPSEGLBEI-UHFFFAOYSA-N 1 0 419.371 3.676 20 30 HHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C#N ZINC000571781000 1072852769 /nfs/dbraw/zinc/85/27/69/1072852769.db2.gz NLDIWHHXXVAXJP-XMMPIXPASA-N 1 0 411.594 3.838 20 30 HHEDRO COc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1OCCCC#N ZINC000554886072 1072925853 /nfs/dbraw/zinc/92/58/53/1072925853.db2.gz CAFCULWNWAOODV-XMMPIXPASA-N 1 0 412.505 3.944 20 30 HHEDRO C[NH+](C)C[C@H](NC(=O)NCCSCc1ccccc1C#N)c1ccc(F)cc1 ZINC000588257573 1072970418 /nfs/dbraw/zinc/97/04/18/1072970418.db2.gz RDNRWBTXVCPFJD-FQEVSTJZSA-N 1 0 400.523 3.533 20 30 HHEDRO CC(C)(CO)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccs1 ZINC000554951978 1072985132 /nfs/dbraw/zinc/98/51/32/1072985132.db2.gz FUPHPPZTCNDQTN-LJQANCHMSA-N 1 0 405.951 3.998 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@H]3O)c2)c1 ZINC000554939852 1072987116 /nfs/dbraw/zinc/98/71/16/1072987116.db2.gz RGLYXRQDKSYAHK-UPVQGACJSA-N 1 0 406.526 3.795 20 30 HHEDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)C1 ZINC000588347809 1073030206 /nfs/dbraw/zinc/03/02/06/1073030206.db2.gz BSYJWTYMNOTLSB-AWEZNQCLSA-N 1 0 423.464 3.840 20 30 HHEDRO N#CCCCCCC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000588373465 1073051351 /nfs/dbraw/zinc/05/13/51/1073051351.db2.gz ZRGTXWWLRZADIT-UHFFFAOYSA-N 1 0 422.367 3.883 20 30 HHEDRO C=CCn1c(SC[C@H](O)C[N@@H+](C)Cc2ccccc2)nnc1-c1ccccc1F ZINC000588689965 1073139691 /nfs/dbraw/zinc/13/96/91/1073139691.db2.gz UJVRVRKFNUPDMJ-GOSISDBHSA-N 1 0 412.534 3.855 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000588780337 1073206091 /nfs/dbraw/zinc/20/60/91/1073206091.db2.gz VSMSULCDKKLNMU-RPWUZVMVSA-N 1 0 420.557 3.733 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000572247632 1073232665 /nfs/dbraw/zinc/23/26/65/1073232665.db2.gz HWLZSNQJFLGQNI-UHFFFAOYSA-N 1 0 424.372 3.641 20 30 HHEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555256424 1073290729 /nfs/dbraw/zinc/29/07/29/1073290729.db2.gz ZGTUVQIAGSIZHI-OAQYLSRUSA-N 1 0 402.546 3.875 20 30 HHEDRO C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000555298466 1073318603 /nfs/dbraw/zinc/31/86/03/1073318603.db2.gz OAKGYSXBVZRWQC-YADARESESA-N 1 0 420.532 3.567 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CC[C@H](c4ccccc4)O3)CC2)cc1 ZINC000588922927 1073343686 /nfs/dbraw/zinc/34/36/86/1073343686.db2.gz PGUUDHCXAGVSIO-DNQXCXABSA-N 1 0 418.541 3.696 20 30 HHEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC(c2ccccc2)c2ccccc2)nc1 ZINC000589057998 1073387478 /nfs/dbraw/zinc/38/74/78/1073387478.db2.gz ZJROAFITLCXJSD-UHFFFAOYSA-N 1 0 405.523 3.539 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2nccnc2C)cc1OCC ZINC000555629849 1073698267 /nfs/dbraw/zinc/69/82/67/1073698267.db2.gz JNUIDGRYEMUKFL-UHFFFAOYSA-N 1 0 406.324 3.843 20 30 HHEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000590289394 1073708227 /nfs/dbraw/zinc/70/82/27/1073708227.db2.gz FDMQUIWUFLOQJO-HNNXBMFYSA-N 1 0 402.420 3.709 20 30 HHEDRO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(C)C ZINC000555661119 1073714300 /nfs/dbraw/zinc/71/43/00/1073714300.db2.gz PPUOSKQVERQHLB-IBGZPJMESA-N 1 0 420.557 3.637 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000555783537 1073817442 /nfs/dbraw/zinc/81/74/42/1073817442.db2.gz LGMZOOMRLPILRZ-UHFFFAOYSA-N 1 0 405.542 3.504 20 30 HHEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1 ZINC000555871759 1073916391 /nfs/dbraw/zinc/91/63/91/1073916391.db2.gz AKISOKZBFJNLFB-RDJZCZTQSA-N 1 0 424.570 3.807 20 30 HHEDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccnc1 ZINC000590600367 1073934245 /nfs/dbraw/zinc/93/42/45/1073934245.db2.gz LCISBMFQOZUFSQ-FQEVSTJZSA-N 1 0 412.559 3.572 20 30 HHEDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccnc1 ZINC000590600369 1073934255 /nfs/dbraw/zinc/93/42/55/1073934255.db2.gz LCISBMFQOZUFSQ-HXUWFJFHSA-N 1 0 412.559 3.572 20 30 HHEDRO N#Cc1cc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc(N)c1[N+](=O)[O-] ZINC000555901556 1073951355 /nfs/dbraw/zinc/95/13/55/1073951355.db2.gz YCZZNRTVLNHKIF-UHFFFAOYSA-N 1 0 419.407 3.780 20 30 HHEDRO N#Cc1ccsc1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000556008989 1074034077 /nfs/dbraw/zinc/03/40/77/1074034077.db2.gz LJATWWKQCGSMAC-UHFFFAOYSA-N 1 0 422.554 3.606 20 30 HHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3c4ccccc4CC34CCOCC4)C2=O)cc1 ZINC000573023644 1074062206 /nfs/dbraw/zinc/06/22/06/1074062206.db2.gz YSODNEVTBDKEJQ-GOTSBHOMSA-N 1 0 401.510 3.737 20 30 HHEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(C#Cc4cccs4)c3)CC2)c1 ZINC000591486979 1074339905 /nfs/dbraw/zinc/33/99/05/1074339905.db2.gz YWHYSTDEBBREJF-UHFFFAOYSA-N 1 0 418.522 3.906 20 30 HHEDRO N#Cc1c(Br)cccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000573738570 1074643589 /nfs/dbraw/zinc/64/35/89/1074643589.db2.gz QNIILDXNFIXJMX-UHFFFAOYSA-N 1 0 400.320 3.958 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000592526825 1074781319 /nfs/dbraw/zinc/78/13/19/1074781319.db2.gz JOLKMFVDEAWZCT-UHFFFAOYSA-N 1 0 410.493 3.528 20 30 HHEDRO C=CCC[C@H](NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000574306939 1075216838 /nfs/dbraw/zinc/21/68/38/1075216838.db2.gz MRCHVJNQPNXOAE-VWNXMTODSA-N 1 0 419.569 3.791 20 30 HHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)[C@H](C)C3)sc2C1 ZINC000761068173 1075338510 /nfs/dbraw/zinc/33/85/10/1075338510.db2.gz HDEIBFXMTMKOKB-CVEARBPZSA-N 1 0 402.608 3.735 20 30 HHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)cc2c1Cl ZINC001164390119 718826913 /nfs/dbraw/zinc/82/69/13/718826913.db2.gz MULOCYTYWNJVLZ-CABCVRRESA-N 1 0 413.255 3.525 20 30 HHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1Cl)CC2 ZINC001164711568 720097923 /nfs/dbraw/zinc/09/79/23/720097923.db2.gz QXDSTSLDOVFUPI-LJQANCHMSA-N 1 0 411.937 3.509 20 30 HHEDRO Cc1nc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164843320 720692269 /nfs/dbraw/zinc/69/22/69/720692269.db2.gz NVJIINWIIQIVHE-GOSISDBHSA-N 1 0 411.937 3.570 20 30 HHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2 ZINC001164840940 720707197 /nfs/dbraw/zinc/70/71/97/720707197.db2.gz STIACYDHBBAAHN-HXUWFJFHSA-N 1 0 401.514 3.694 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(C#N)cnc3cnc(Cl)cc31)[C@H]2C ZINC001164855697 720934791 /nfs/dbraw/zinc/93/47/91/720934791.db2.gz JHJUAHUVFBDMRD-AWEZNQCLSA-N 1 0 409.925 3.773 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)[C@H]2C ZINC001164860444 720957917 /nfs/dbraw/zinc/95/79/17/720957917.db2.gz PSWBEPWAAHQDFN-ZDUSSCGKSA-N 1 0 408.884 3.769 20 30 HHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164759425 721250804 /nfs/dbraw/zinc/25/08/04/721250804.db2.gz AEDHSTPTBNUPLZ-MSOLQXFVSA-N 1 0 420.948 3.760 20 30 HHEDRO N#Cc1cc(F)c(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164903357 721584237 /nfs/dbraw/zinc/58/42/37/721584237.db2.gz MLZRYKMBVLJWMI-LJQANCHMSA-N 1 0 421.854 3.878 20 30 HHEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCCC4)C[C@H]21 ZINC001165025124 721831277 /nfs/dbraw/zinc/83/12/77/721831277.db2.gz LTSQOGBWEXQVOM-WUMKDDEVSA-N 1 0 401.558 3.964 20 30 HHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC([NH+](CC)CC)CC1 ZINC001165053371 722003878 /nfs/dbraw/zinc/00/38/78/722003878.db2.gz PGRHYIXPYQANFJ-UHFFFAOYSA-N 1 0 414.884 3.639 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nc(-c4ccccn4)nc4c3CCC4)CC2)cc1 ZINC000301173101 970787128 /nfs/dbraw/zinc/78/71/28/970787128.db2.gz GZMROQNINLXLLT-UHFFFAOYSA-N 1 0 410.525 3.611 20 30 HHEDRO CC[NH+]1CCN(c2ccc(CNc3c(C#N)cnc4ccc(Cl)cc43)cn2)CC1 ZINC000301389057 970902437 /nfs/dbraw/zinc/90/24/37/970902437.db2.gz YZZXKCHVCYHPQX-UHFFFAOYSA-N 1 0 406.921 3.909 20 30 HHEDRO Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000301404952 970911596 /nfs/dbraw/zinc/91/15/96/970911596.db2.gz TVDABUNIXGCEHH-KRWDZBQOSA-N 1 0 404.493 3.572 20 30 HHEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000302435840 971237823 /nfs/dbraw/zinc/23/78/23/971237823.db2.gz MECSCDWPFJSSIP-HSZRJFAPSA-N 1 0 406.917 3.833 20 30 HHEDRO CC(C)n1c(Sc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000302709020 971287103 /nfs/dbraw/zinc/28/71/03/971287103.db2.gz ZAKNUEUILHRKDZ-ZDUSSCGKSA-N 1 0 423.502 3.805 20 30 HHEDRO C=CCOc1ccc(/C=C/C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)cc1OC ZINC000302791541 971319105 /nfs/dbraw/zinc/31/91/05/971319105.db2.gz GNVGLWHOXHYQHT-VQHVLOKHSA-N 1 0 410.518 3.765 20 30 HHEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000303060626 971482479 /nfs/dbraw/zinc/48/24/79/971482479.db2.gz LUDKZSJFCDSSHL-NRFANRHFSA-N 1 0 411.343 4.000 20 30 HHEDRO Cc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n2c3ccccc3nc2c1C#N ZINC000303124001 971515205 /nfs/dbraw/zinc/51/52/05/971515205.db2.gz GLSINQAPHYCDMC-KDURUIRLSA-N 1 0 417.557 3.993 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3cccc(Br)c3)CCC2)CC1 ZINC000303312265 971621171 /nfs/dbraw/zinc/62/11/71/971621171.db2.gz PIXWTKYFUSGOIA-UHFFFAOYSA-N 1 0 406.368 3.820 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000537564247 1013100734 /nfs/dbraw/zinc/10/07/34/1013100734.db2.gz RLYWOQBSFSRNJI-LJQANCHMSA-N 1 0 400.486 3.552 20 30 HHEDRO N#CCOc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000303582913 971875025 /nfs/dbraw/zinc/87/50/25/971875025.db2.gz PMDCEFKJXAGMQS-LJQANCHMSA-N 1 0 417.431 3.541 20 30 HHEDRO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC1(c2ccc(Br)cc2)CC1 ZINC000303800725 972037066 /nfs/dbraw/zinc/03/70/66/972037066.db2.gz ATYOKSLNEVINAD-IBGZPJMESA-N 1 0 415.331 3.724 20 30 HHEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000553203000 1013163162 /nfs/dbraw/zinc/16/31/62/1013163162.db2.gz UIAVQKQKQIMUDJ-OFNKIYASSA-N 1 0 411.590 3.751 20 30 HHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C12CCCCC2 ZINC000303835614 972371540 /nfs/dbraw/zinc/37/15/40/972371540.db2.gz APIOEYNRVTWEOR-LEWJYISDSA-N 1 0 421.545 3.742 20 30 HHEDRO C=CCn1c(-c2sc(NC(=O)c3cccc(C[NH+](C)C)c3)nc2C)n[nH]c1=S ZINC000303854384 972394661 /nfs/dbraw/zinc/39/46/61/972394661.db2.gz LFOPDLDAPQESNG-UHFFFAOYSA-N 1 0 414.560 3.873 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000303856617 972397594 /nfs/dbraw/zinc/39/75/94/972397594.db2.gz LQMQIVSGOTYDSM-IBGZPJMESA-N 1 0 406.530 3.731 20 30 HHEDRO COc1cccc(NC(=[NH2+])NC[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000303884698 972425908 /nfs/dbraw/zinc/42/59/08/972425908.db2.gz MVDSYVWTLXPZNO-CQSZACIVSA-N 1 0 403.324 3.711 20 30 HHEDRO CCOc1ccc(C2(CNC(=[NH2+])Nc3ccc(OC)c(OC)c3)CCOCC2)cc1 ZINC000303892736 972432501 /nfs/dbraw/zinc/43/25/01/972432501.db2.gz RLJUWMWTKIPVII-UHFFFAOYSA-N 1 0 413.518 3.578 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000303896402 972435156 /nfs/dbraw/zinc/43/51/56/972435156.db2.gz PZMKWCPRPKDEFO-UHFFFAOYSA-N 1 0 414.575 3.911 20 30 HHEDRO N#Cc1ccccc1OCC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000303913316 972486293 /nfs/dbraw/zinc/48/62/93/972486293.db2.gz SBPNLECAXFHIOW-UHFFFAOYSA-N 1 0 403.526 3.840 20 30 HHEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(Cc3ccc(C#N)cc3)C3CC3)CC2)cc1 ZINC000542243640 1013202099 /nfs/dbraw/zinc/20/20/99/1013202099.db2.gz TYDLKDDJRQOVGO-UHFFFAOYSA-N 1 0 416.569 3.566 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000542269273 1013229443 /nfs/dbraw/zinc/22/94/43/1013229443.db2.gz IROJLWSBKLFNQT-INIZCTEOSA-N 1 0 400.592 3.776 20 30 HHEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553290006 1013246738 /nfs/dbraw/zinc/24/67/38/1013246738.db2.gz XTFMPTKIGYMLFG-LJQANCHMSA-N 1 0 402.970 3.809 20 30 HHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000542308478 1013266538 /nfs/dbraw/zinc/26/65/38/1013266538.db2.gz DIPPXUCARAPTGZ-LADGPHEKSA-N 1 0 424.520 3.650 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000553334496 1013281575 /nfs/dbraw/zinc/28/15/75/1013281575.db2.gz PNBAXDAYDCJEJS-GBXCKJPGSA-N 1 0 407.514 3.699 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(-n2cccn2)cc1 ZINC000553364102 1013303980 /nfs/dbraw/zinc/30/39/80/1013303980.db2.gz FBZDCXFAPGQZGU-MSOLQXFVSA-N 1 0 405.477 3.997 20 30 HHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000553418421 1013340187 /nfs/dbraw/zinc/34/01/87/1013340187.db2.gz RSIBIOBCKWEEIC-UHFFFAOYSA-N 1 0 400.544 3.539 20 30 HHEDRO COCCn1ccc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc21 ZINC000537798834 1013358854 /nfs/dbraw/zinc/35/88/54/1013358854.db2.gz PFGTYFQUKOLMSQ-UHFFFAOYSA-N 1 0 419.529 3.755 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000542419910 1013371795 /nfs/dbraw/zinc/37/17/95/1013371795.db2.gz PYGOMJOCFSPIKX-GOSISDBHSA-N 1 0 422.529 3.931 20 30 HHEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406359 963460989 /nfs/dbraw/zinc/46/09/89/963460989.db2.gz YBXWKPXTCUBRTB-KRWDZBQOSA-N 1 0 421.932 3.618 20 30 HHEDRO CCCc1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691527 963698840 /nfs/dbraw/zinc/69/88/40/963698840.db2.gz RJYDXDAXYXENNG-QGZVFWFLSA-O 1 0 419.517 3.912 20 30 HHEDRO COc1ccc(CNC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2cccc(C)c2)cc1 ZINC000022692752 963699346 /nfs/dbraw/zinc/69/93/46/963699346.db2.gz KMOJELXUVMAXKE-UHFFFAOYSA-O 1 0 422.574 3.975 20 30 HHEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NCCc2ccccc2)cc1 ZINC000022734901 963705892 /nfs/dbraw/zinc/70/58/92/963705892.db2.gz ULCARCGUBWVUEL-UHFFFAOYSA-O 1 0 422.549 3.950 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000553553313 1013451294 /nfs/dbraw/zinc/45/12/94/1013451294.db2.gz QNUMOANMJVMJPB-IBGZPJMESA-N 1 0 420.557 3.541 20 30 HHEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc(CO)c2)cc1 ZINC000024033731 963928197 /nfs/dbraw/zinc/92/81/97/963928197.db2.gz WTBKFRGHOFWNLV-UHFFFAOYSA-O 1 0 422.486 3.734 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024050515 963931725 /nfs/dbraw/zinc/93/17/25/963931725.db2.gz LKUFEWOKJHPXRZ-UHFFFAOYSA-N 1 0 407.562 3.649 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537878653 1013455900 /nfs/dbraw/zinc/45/59/00/1013455900.db2.gz LCLYGLCIRUBJRG-UHFFFAOYSA-N 1 0 409.490 3.604 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000542531058 1013474052 /nfs/dbraw/zinc/47/40/52/1013474052.db2.gz ISTPQSVPHWHCGN-ZYHUDNBSSA-N 1 0 411.428 3.822 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1OC ZINC000025261609 964220741 /nfs/dbraw/zinc/22/07/41/964220741.db2.gz QLPDKKKRMTWPGU-OAHLLOKOSA-N 1 0 420.303 3.952 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C#N)ccc3OC)CC2)cc1 ZINC000050090781 964264753 /nfs/dbraw/zinc/26/47/53/964264753.db2.gz ZXIDUAOLKGYGJH-UHFFFAOYSA-N 1 0 408.502 3.609 20 30 HHEDRO CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000025438019 964270206 /nfs/dbraw/zinc/27/02/06/964270206.db2.gz SRCJZYCJWLPLDC-NRFANRHFSA-N 1 0 409.534 3.560 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000537900764 1013486030 /nfs/dbraw/zinc/48/60/30/1013486030.db2.gz XMRCPPRBWFWDLQ-UHFFFAOYSA-N 1 0 416.481 3.772 20 30 HHEDRO Cc1oc(NC(=O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)c(C#N)c1C ZINC000025948861 964398365 /nfs/dbraw/zinc/39/83/65/964398365.db2.gz LSSJKSZOAKQBBK-UHFFFAOYSA-N 1 0 402.498 3.678 20 30 HHEDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000051052642 964450439 /nfs/dbraw/zinc/45/04/39/964450439.db2.gz KVDLNTTZXIGAMD-NVXWUHKLSA-N 1 0 404.942 3.557 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000542569424 1013510855 /nfs/dbraw/zinc/51/08/55/1013510855.db2.gz OQCCMRPWRSWZSF-CABCVRRESA-N 1 0 400.548 3.786 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(CCC)cc1 ZINC000027311395 964846341 /nfs/dbraw/zinc/84/63/41/964846341.db2.gz IUMSKOXZZLTAAT-UHFFFAOYSA-O 1 0 410.563 3.990 20 30 HHEDRO CC(C)Oc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000553670972 1013536912 /nfs/dbraw/zinc/53/69/12/1013536912.db2.gz PGAOHNFNSKRQJT-QFIPXVFZSA-N 1 0 411.571 3.998 20 30 HHEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000537984525 1013559516 /nfs/dbraw/zinc/55/95/16/1013559516.db2.gz XXURIECWUBYWJX-AWEZNQCLSA-N 1 0 405.376 3.972 20 30 HHEDRO N#Cc1cccnc1NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029172877 965296104 /nfs/dbraw/zinc/29/61/04/965296104.db2.gz GSOSLRCSSJNPHM-UHFFFAOYSA-N 1 0 403.452 3.986 20 30 HHEDRO COc1ccc([C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000054020170 965355210 /nfs/dbraw/zinc/35/52/10/965355210.db2.gz TZXKBGINTYNHPF-XMMPIXPASA-N 1 0 418.541 3.935 20 30 HHEDRO N#CCc1cccc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c1 ZINC000057274421 965382310 /nfs/dbraw/zinc/38/23/10/965382310.db2.gz YMCIXNVDADSPIA-UHFFFAOYSA-N 1 0 411.509 3.722 20 30 HHEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(Cc4coc(-c5ccccc5)n4)CC3)n2c1 ZINC000553723272 1013571933 /nfs/dbraw/zinc/57/19/33/1013571933.db2.gz VSJZRUTXVYXPIC-UHFFFAOYSA-N 1 0 412.497 3.615 20 30 HHEDRO N#Cc1cccc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000054394272 965502387 /nfs/dbraw/zinc/50/23/87/965502387.db2.gz SKXBRKKTALNMGO-UHFFFAOYSA-N 1 0 414.303 3.555 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000029985702 965584028 /nfs/dbraw/zinc/58/40/28/965584028.db2.gz USKUHSLRISREBA-UHFFFAOYSA-N 1 0 414.509 3.880 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1C(F)(F)F ZINC000054650635 965595858 /nfs/dbraw/zinc/59/58/58/965595858.db2.gz YGYBNFBWJWOPMD-UHFFFAOYSA-N 1 0 418.463 3.893 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccc(CCC)cc1 ZINC000055009870 965725035 /nfs/dbraw/zinc/72/50/35/965725035.db2.gz UYHOTKRKGQEMLX-UHFFFAOYSA-O 1 0 411.547 3.802 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@H+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000055172319 965773604 /nfs/dbraw/zinc/77/36/04/965773604.db2.gz POSQZMLQHKIRBK-UHFFFAOYSA-N 1 0 407.543 3.810 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000553769425 1013601621 /nfs/dbraw/zinc/60/16/21/1013601621.db2.gz YIDRENRSDHGTGH-NRFANRHFSA-N 1 0 419.569 3.586 20 30 HHEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000055472005 965879920 /nfs/dbraw/zinc/87/99/20/965879920.db2.gz JWMQXMGQKRMLBU-JOCHJYFZSA-N 1 0 409.526 3.758 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)c(OC)c1 ZINC000055472075 965880043 /nfs/dbraw/zinc/88/00/43/965880043.db2.gz JJJZYFMIPLYKNF-JOCHJYFZSA-N 1 0 409.526 3.758 20 30 HHEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000060562296 966206521 /nfs/dbraw/zinc/20/65/21/966206521.db2.gz ZBKSCRMWYRSVML-NRFANRHFSA-N 1 0 408.498 3.862 20 30 HHEDRO COc1ccc(C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000060576757 966213072 /nfs/dbraw/zinc/21/30/72/966213072.db2.gz LMDHBQRVOKPJJP-UHFFFAOYSA-N 1 0 408.546 3.618 20 30 HHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000060689220 966260169 /nfs/dbraw/zinc/26/01/69/966260169.db2.gz GMBWGNAXUILESF-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032830835 966333371 /nfs/dbraw/zinc/33/33/71/966333371.db2.gz NOIWXIICFBCAGB-LVXARBLLSA-N 1 0 418.585 3.837 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12)C(C)C ZINC000041855836 966651593 /nfs/dbraw/zinc/65/15/93/966651593.db2.gz OYQLBJGCWDNFEK-LJQANCHMSA-N 1 0 414.937 3.642 20 30 HHEDRO C[C@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000042019592 966689364 /nfs/dbraw/zinc/68/93/64/966689364.db2.gz UBEOUKZUPKWWJL-MSOLQXFVSA-N 1 0 404.514 3.606 20 30 HHEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000062601384 966715608 /nfs/dbraw/zinc/71/56/08/966715608.db2.gz VYJLOLLLMOPMHB-UHFFFAOYSA-N 1 0 405.542 3.521 20 30 HHEDRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cccc(CC#N)c2)CC1 ZINC000042395668 966791325 /nfs/dbraw/zinc/79/13/25/966791325.db2.gz WIZOPUMDLVUFAR-UHFFFAOYSA-N 1 0 413.319 3.519 20 30 HHEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000063320309 966816649 /nfs/dbraw/zinc/81/66/49/966816649.db2.gz HHIAALSZICCXBE-UHFFFAOYSA-N 1 0 423.517 3.957 20 30 HHEDRO CCc1c(C(=O)C(C(=S)NCCCSC)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000063440694 966857846 /nfs/dbraw/zinc/85/78/46/966857846.db2.gz YJKBIQUYRRGPKU-UHFFFAOYSA-O 1 0 418.608 3.657 20 30 HHEDRO CCc1c(C(=O)C(C(=S)NC)[n+]2ccc(C(C)(C)C)cc2)[nH]c(C)c1C(C)=O ZINC000063440464 966857993 /nfs/dbraw/zinc/85/79/93/966857993.db2.gz IBPPDGPINDCAIE-UHFFFAOYSA-O 1 0 400.568 3.831 20 30 HHEDRO CC(C)[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000063750806 966946590 /nfs/dbraw/zinc/94/65/90/966946590.db2.gz DSVQLLDHBSFLRZ-UHFFFAOYSA-N 1 0 418.541 3.646 20 30 HHEDRO C=CCOc1ccccc1CN(C(=O)C[N@@H+](C)CCC)c1ccc2c(c1)OCCO2 ZINC000063761890 966949808 /nfs/dbraw/zinc/94/98/08/966949808.db2.gz JGJFKAMQMPVTAW-UHFFFAOYSA-N 1 0 410.514 3.898 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H](CCO)c2ccccc2)c1C#N ZINC000538130069 1013691394 /nfs/dbraw/zinc/69/13/94/1013691394.db2.gz UDGASAMXKHCLPI-JOCHJYFZSA-N 1 0 420.513 3.660 20 30 HHEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000064129458 967059760 /nfs/dbraw/zinc/05/97/60/967059760.db2.gz RLYFBKLBFBHODG-UHFFFAOYSA-N 1 0 412.578 3.530 20 30 HHEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064237110 967100563 /nfs/dbraw/zinc/10/05/63/967100563.db2.gz JRANOBLCZIAWQF-DEOSSOPVSA-N 1 0 420.557 3.862 20 30 HHEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000542838209 1013700355 /nfs/dbraw/zinc/70/03/55/1013700355.db2.gz LAVJXCUCENRZDU-GOSISDBHSA-N 1 0 410.453 3.681 20 30 HHEDRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(CCC#N)CCC[NH+](C)C)c12 ZINC000064361152 967155723 /nfs/dbraw/zinc/15/57/23/967155723.db2.gz SZXPRKUUUMWNSV-UHFFFAOYSA-N 1 0 412.582 3.926 20 30 HHEDRO COc1ccc(CC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000065485151 967491990 /nfs/dbraw/zinc/49/19/90/967491990.db2.gz SZEMHGXVJZFYAE-LJQANCHMSA-N 1 0 408.546 3.661 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000542899679 1013742636 /nfs/dbraw/zinc/74/26/36/1013742636.db2.gz ABTGMVQOFKTGFW-FXAWDEMLSA-N 1 0 424.570 3.969 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000046867579 967995771 /nfs/dbraw/zinc/99/57/71/967995771.db2.gz UNFMDHVCVOVBDB-UHFFFAOYSA-N 1 0 412.603 3.966 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)C(C)C ZINC000046905581 968005208 /nfs/dbraw/zinc/00/52/08/968005208.db2.gz UFECNODMUKRVKF-QFIPXVFZSA-N 1 0 413.562 3.695 20 30 HHEDRO COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000046986078 968023756 /nfs/dbraw/zinc/02/37/56/968023756.db2.gz ABHBDSABCLRPSK-KRWDZBQOSA-N 1 0 410.493 3.684 20 30 HHEDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccc(C)cc1 ZINC000047010215 968030554 /nfs/dbraw/zinc/03/05/54/968030554.db2.gz BVXCLXPUQIWFPD-UHFFFAOYSA-N 1 0 401.514 3.565 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542937638 1013771528 /nfs/dbraw/zinc/77/15/28/1013771528.db2.gz YMNPREWLHUDBJT-KGLIPLIRSA-N 1 0 418.419 3.652 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1C#N ZINC000047405589 968178370 /nfs/dbraw/zinc/17/83/70/968178370.db2.gz OTNNYILWMPPLHO-KRWDZBQOSA-N 1 0 410.493 3.544 20 30 HHEDRO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000542944181 1013777400 /nfs/dbraw/zinc/77/74/00/1013777400.db2.gz CIQJIJUGFHLNHX-INIZCTEOSA-N 1 0 418.969 3.899 20 30 HHEDRO C[NH+](C)Cc1cccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000047538239 968227041 /nfs/dbraw/zinc/22/70/41/968227041.db2.gz ZRXDQDDNIMAKHV-UHFFFAOYSA-N 1 0 419.485 3.723 20 30 HHEDRO COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2=O)c(OC)c1 ZINC000554078843 1013788972 /nfs/dbraw/zinc/78/89/72/1013788972.db2.gz NNEITEHVXHMHQX-DHIUTWEWSA-N 1 0 419.525 3.734 20 30 HHEDRO COc1cccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+]2CCCC2)c1 ZINC000048094532 968419599 /nfs/dbraw/zinc/41/95/99/968419599.db2.gz IOBZRZBQSVRUSL-QFIPXVFZSA-N 1 0 409.555 3.753 20 30 HHEDRO COc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+]2CCCC2)cc1 ZINC000048093812 968419922 /nfs/dbraw/zinc/41/99/22/968419922.db2.gz MEGSVTWVYOQWLT-JOCHJYFZSA-N 1 0 409.555 3.753 20 30 HHEDRO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000048163460 968465968 /nfs/dbraw/zinc/46/59/68/968465968.db2.gz OFEGRTMQHDJXSY-HXUWFJFHSA-N 1 0 401.466 3.735 20 30 HHEDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000048188274 968477503 /nfs/dbraw/zinc/47/75/03/968477503.db2.gz HWYIWMQJLRXFDG-UHFFFAOYSA-N 1 0 412.493 3.769 20 30 HHEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@@H](C)C1 ZINC000554128951 1013811559 /nfs/dbraw/zinc/81/15/59/1013811559.db2.gz VWAMRQSBRCPDKO-AXHZCLLHSA-N 1 0 403.526 3.940 20 30 HHEDRO CC1(C)CC(NC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)CC(C)(C)[NH2+]1 ZINC000048604996 968620002 /nfs/dbraw/zinc/62/00/02/968620002.db2.gz BJVKWAFSLUQTGP-UHFFFAOYSA-N 1 0 409.555 3.512 20 30 HHEDRO CC1CC[NH+]([C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)CC1 ZINC000065876260 968695790 /nfs/dbraw/zinc/69/57/90/968695790.db2.gz QVJVYTPMTDDHDJ-OAQYLSRUSA-N 1 0 424.932 3.740 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)Nc3ccc(F)cc3C#N)CC2)c1 ZINC000097473312 969141287 /nfs/dbraw/zinc/14/12/87/969141287.db2.gz GUBKFFQFGQUEPL-UHFFFAOYSA-N 1 0 409.509 3.730 20 30 HHEDRO Cc1ccc(NC(=O)[C@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC000097571232 969164549 /nfs/dbraw/zinc/16/45/49/969164549.db2.gz JESRPDBZEMKVBH-KRWDZBQOSA-N 1 0 412.509 3.784 20 30 HHEDRO C=CCc1ccc(OCC(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)c(OC)c1 ZINC000106189089 969298858 /nfs/dbraw/zinc/29/88/58/969298858.db2.gz TZGDWJSAHBUYGA-UHFFFAOYSA-N 1 0 423.557 3.579 20 30 HHEDRO C=CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccs1 ZINC000109699029 969550820 /nfs/dbraw/zinc/55/08/20/969550820.db2.gz BOQQWKUKRXUFEL-UHFFFAOYSA-N 1 0 401.601 3.924 20 30 HHEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110987886 969755100 /nfs/dbraw/zinc/75/51/00/969755100.db2.gz BBHURZPFJAHDRT-SFHVURJKSA-N 1 0 419.460 3.956 20 30 HHEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000111039754 969764404 /nfs/dbraw/zinc/76/44/04/969764404.db2.gz NQBPOMRYTZIPEY-INIZCTEOSA-N 1 0 405.477 3.979 20 30 HHEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000112544485 969815242 /nfs/dbraw/zinc/81/52/42/969815242.db2.gz ITSKDHZSFYFFBJ-APWZRJJASA-N 1 0 400.523 3.655 20 30 HHEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000112681154 969824163 /nfs/dbraw/zinc/82/41/63/969824163.db2.gz RGEDMMGEYPLRLG-UHFFFAOYSA-N 1 0 421.545 3.840 20 30 HHEDRO Cc1cc(Cl)ccc1NC(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000116600131 969908530 /nfs/dbraw/zinc/90/85/30/969908530.db2.gz UBLQNCNKAITCBI-UHFFFAOYSA-N 1 0 414.937 3.910 20 30 HHEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)NCCSCc3ccccc3C#N)cc2)CC1 ZINC000195700662 969966984 /nfs/dbraw/zinc/96/69/84/969966984.db2.gz XZPQDYYGBHIGNX-UHFFFAOYSA-N 1 0 422.598 3.752 20 30 HHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000237022167 970208993 /nfs/dbraw/zinc/20/89/93/970208993.db2.gz XLOUDXKITPCCII-FQEVSTJZSA-N 1 0 405.458 3.966 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc(OC)c1O ZINC000237239822 970246927 /nfs/dbraw/zinc/24/69/27/970246927.db2.gz BPZJLLUINUXJIE-QZTJIDSGSA-N 1 0 424.541 3.669 20 30 HHEDRO C=CCc1cc(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc(OC)c1O ZINC000237240216 970247140 /nfs/dbraw/zinc/24/71/40/970247140.db2.gz BPZJLLUINUXJIE-HDICACEKSA-N 1 0 424.541 3.669 20 30 HHEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)cc1OCCCC#N ZINC000237373720 970272826 /nfs/dbraw/zinc/27/28/26/970272826.db2.gz ULJJIZQJFGVHEH-SFHVURJKSA-N 1 0 413.905 3.926 20 30 HHEDRO COc1ccc(C(=O)NCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237449579 970291121 /nfs/dbraw/zinc/29/11/21/970291121.db2.gz QJXJMMJAZNJVAI-UHFFFAOYSA-N 1 0 415.493 3.665 20 30 HHEDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237764261 970359849 /nfs/dbraw/zinc/35/98/49/970359849.db2.gz JNDMBRRXFVVDIM-UHFFFAOYSA-N 1 0 403.482 3.948 20 30 HHEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000237832001 970377695 /nfs/dbraw/zinc/37/76/95/970377695.db2.gz HKAZRCINLHQELE-UHFFFAOYSA-N 1 0 401.514 3.590 20 30 HHEDRO N#CCCn1cc(C[NH2+]CCCC(=O)N2CCc3ccccc32)c(-c2ccccc2)n1 ZINC000237994638 970414102 /nfs/dbraw/zinc/41/41/02/970414102.db2.gz PJLKWRLJVUNJDF-UHFFFAOYSA-N 1 0 413.525 3.923 20 30 HHEDRO C[NH+](C)Cc1cccc(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000150239900 970436883 /nfs/dbraw/zinc/43/68/83/970436883.db2.gz PNKGVHADYMDBHF-UHFFFAOYSA-N 1 0 418.457 3.686 20 30 HHEDRO CC[C@H](C)NC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000195613025 970556679 /nfs/dbraw/zinc/55/66/79/970556679.db2.gz ZGAUARKHEDNOIJ-SFHVURJKSA-N 1 0 421.545 3.682 20 30 HHEDRO COc1ccc(-c2nnc(CNC(=[NH2+])N[C@H](C)c3ccc(Cl)cc3Cl)[nH]2)cc1 ZINC000303970289 972557591 /nfs/dbraw/zinc/55/75/91/972557591.db2.gz CMRVDZCNHNKYCA-LLVKDONJSA-N 1 0 419.316 3.953 20 30 HHEDRO CC(C)c1cccc(NC(=[NH2+])NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000303971133 972558856 /nfs/dbraw/zinc/55/88/56/972558856.db2.gz DGHFQLTWJQFXHV-UHFFFAOYSA-N 1 0 414.575 3.638 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccnc(N2CCCCC2)c1 ZINC000304465051 972600061 /nfs/dbraw/zinc/60/00/61/972600061.db2.gz AWMDRXJKCNXNGC-UHFFFAOYSA-N 1 0 407.440 3.575 20 30 HHEDRO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304466285 972601123 /nfs/dbraw/zinc/60/11/23/972601123.db2.gz BOIXOFKSVIHJNS-AWEZNQCLSA-N 1 0 422.451 3.718 20 30 HHEDRO [NH2+]=C(NCc1cccc(C(=O)OCc2ccccc2)c1)N[C@H]1CCOc2ccccc21 ZINC000304472498 972601630 /nfs/dbraw/zinc/60/16/30/972601630.db2.gz FFXGMMQDQOLUOW-QFIPXVFZSA-N 1 0 415.493 3.972 20 30 HHEDRO CCOc1ccc(C2(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)CCOCC2)cc1 ZINC000304485832 972601722 /nfs/dbraw/zinc/60/17/22/972601722.db2.gz JYNXWQNVZRSLCG-NRFANRHFSA-N 1 0 409.530 3.562 20 30 HHEDRO COc1cc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)ccc1OCCO ZINC000304527038 972602894 /nfs/dbraw/zinc/60/28/94/972602894.db2.gz ZZKODHMMXAKVAO-UHFFFAOYSA-N 1 0 407.470 3.785 20 30 HHEDRO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NCc1cccc(OCC(F)F)c1 ZINC000304503499 972603027 /nfs/dbraw/zinc/60/30/27/972603027.db2.gz QGHNNBOECWOTAX-UHFFFAOYSA-N 1 0 403.351 3.834 20 30 HHEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)Oc2ccccc2Br)c1 ZINC000304746838 972604011 /nfs/dbraw/zinc/60/40/11/972604011.db2.gz VLTGZIVNOGJJRV-LBPRGKRZSA-N 1 0 408.296 3.660 20 30 HHEDRO CC(C)(C)OC(=O)N[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000304757183 972604141 /nfs/dbraw/zinc/60/41/41/972604141.db2.gz ONRGAXIANVHXNP-MOPGFXCFSA-N 1 0 410.518 3.681 20 30 HHEDRO COc1cc(OC)cc([C@H](O)CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304758711 972605441 /nfs/dbraw/zinc/60/54/41/972605441.db2.gz QJRICYIIXKOFIO-JOCHJYFZSA-N 1 0 407.470 3.956 20 30 HHEDRO COc1ccc(CNC(=[NH2+])NCc2ccnc(OC3CCC(C)CC3)c2)cc1OC ZINC000304765108 972607174 /nfs/dbraw/zinc/60/71/74/972607174.db2.gz YWEJAZSXYBTNII-UHFFFAOYSA-N 1 0 412.534 3.661 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@@H](CNC(=[NH2+])Nc3ccc(OC)c(Cl)c3)C2)c1 ZINC000305047853 972608110 /nfs/dbraw/zinc/60/81/10/972608110.db2.gz YWKKEERRINMYBL-AWEZNQCLSA-N 1 0 418.925 3.619 20 30 HHEDRO CC(C)(C)OC(=O)N(CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000305215137 972609962 /nfs/dbraw/zinc/60/99/62/972609962.db2.gz IAOGWTMJWDXBOW-UHFFFAOYSA-N 1 0 402.417 3.711 20 30 HHEDRO [NH2+]=C(NCc1ccc(OCC(F)(F)F)nc1)Nc1ccccc1OC(F)(F)F ZINC000305262777 972611589 /nfs/dbraw/zinc/61/15/89/972611589.db2.gz YDRJDMYDDGHQHO-UHFFFAOYSA-N 1 0 408.302 3.848 20 30 HHEDRO CCN(CC)C(=O)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305270928 972611773 /nfs/dbraw/zinc/61/17/73/972611773.db2.gz ZWXLPOMNFXWRLZ-UHFFFAOYSA-N 1 0 408.424 3.994 20 30 HHEDRO C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1)c1nc(-c2ccccc2)no1 ZINC000305626515 972613090 /nfs/dbraw/zinc/61/30/90/972613090.db2.gz BZPLPBPNPRHSBV-INIZCTEOSA-N 1 0 424.936 3.630 20 30 HHEDRO [NH2+]=C(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)NC1CCCCCC1 ZINC000305745056 972615143 /nfs/dbraw/zinc/61/51/43/972615143.db2.gz NJJNGPBNJMXORY-UHFFFAOYSA-N 1 0 424.568 3.674 20 30 HHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000326586770 972744434 /nfs/dbraw/zinc/74/44/34/972744434.db2.gz BWDGDSDPLXANEZ-SFHVURJKSA-N 1 0 403.320 3.981 20 30 HHEDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000328604663 972767590 /nfs/dbraw/zinc/76/75/90/972767590.db2.gz KTJCLXOTEVWWLH-NRFANRHFSA-N 1 0 419.529 3.802 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000409827320 973298547 /nfs/dbraw/zinc/29/85/47/973298547.db2.gz ROPJHBOWIQPBJS-IBGZPJMESA-N 1 0 405.546 3.861 20 30 HHEDRO C[C@H]1C[C@H](CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[N@@H+]1Cc1ccccc1 ZINC000409860824 973329392 /nfs/dbraw/zinc/32/93/92/973329392.db2.gz RPKQIDXZGGGNHL-UGKGYDQZSA-N 1 0 413.525 3.774 20 30 HHEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000426243121 974338398 /nfs/dbraw/zinc/33/83/98/974338398.db2.gz ZAPMJLNWDGCWTQ-LJQANCHMSA-N 1 0 418.541 3.620 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1-c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000426460971 974465176 /nfs/dbraw/zinc/46/51/76/974465176.db2.gz OKNNPIFIMJQVGY-UHFFFAOYSA-N 1 0 416.510 3.945 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000426578017 974540945 /nfs/dbraw/zinc/54/09/45/974540945.db2.gz GEIJEONKPWSSTE-UHFFFAOYSA-N 1 0 417.897 3.885 20 30 HHEDRO C=CCC[C@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000426649585 974582433 /nfs/dbraw/zinc/58/24/33/974582433.db2.gz YCRFDELFBCJEMK-QFIPXVFZSA-N 1 0 413.606 3.679 20 30 HHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427244057 975001228 /nfs/dbraw/zinc/00/12/28/975001228.db2.gz VQGPEBXZPJONGE-UHFFFAOYSA-N 1 0 403.530 3.674 20 30 HHEDRO N#Cc1c(F)cccc1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000427450141 975125084 /nfs/dbraw/zinc/12/50/84/975125084.db2.gz RKLZNNJUPDFRCL-UHFFFAOYSA-N 1 0 401.869 3.624 20 30 HHEDRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000428211702 975535936 /nfs/dbraw/zinc/53/59/36/975535936.db2.gz WUVHTRIMSAGNFL-UHFFFAOYSA-N 1 0 419.573 3.582 20 30 HHEDRO C=C(C)COc1cc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000428432103 975746016 /nfs/dbraw/zinc/74/60/16/975746016.db2.gz OQFVCQPPJXZXCV-RUZDIDTESA-N 1 0 410.558 3.719 20 30 HHEDRO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000428785012 976059952 /nfs/dbraw/zinc/05/99/52/976059952.db2.gz TYJGULKGFRZYEI-RUZDIDTESA-N 1 0 415.493 3.554 20 30 HHEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)nc1 ZINC000428793681 976069732 /nfs/dbraw/zinc/06/97/32/976069732.db2.gz LDKWRGBKOSESSK-CQSZACIVSA-N 1 0 405.285 3.742 20 30 HHEDRO N#CCCn1ncc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1-c1ccccc1 ZINC000428808547 976086969 /nfs/dbraw/zinc/08/69/69/976086969.db2.gz SYNTZMVFPCLMQM-UHFFFAOYSA-N 1 0 414.513 3.505 20 30 HHEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)C1 ZINC000428990205 976271361 /nfs/dbraw/zinc/27/13/61/976271361.db2.gz HNRJWOSYGRKPQY-HLIPFELVSA-N 1 0 414.619 3.879 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000428996050 976277001 /nfs/dbraw/zinc/27/70/01/976277001.db2.gz BEGUIJHDMVAMCI-DOADOZAASA-N 1 0 400.592 3.539 20 30 HHEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000428996055 976277362 /nfs/dbraw/zinc/27/73/62/976277362.db2.gz BEGUIJHDMVAMCI-SOAMZJECSA-N 1 0 400.592 3.539 20 30 HHEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429386036 976659050 /nfs/dbraw/zinc/65/90/50/976659050.db2.gz ORTHGJCWMSDOAY-ROUUACIJSA-N 1 0 400.592 3.683 20 30 HHEDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[C@H]1C(C)C ZINC000429397660 976673481 /nfs/dbraw/zinc/67/34/81/976673481.db2.gz JHPWIUJKJPBVHD-UVFQYZLESA-N 1 0 417.575 3.593 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000429511345 976767551 /nfs/dbraw/zinc/76/75/51/976767551.db2.gz WCSZRIVQOKCRFC-UHFFFAOYSA-N 1 0 423.348 3.937 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)[NH+](C)C)cc1 ZINC000429640326 976931222 /nfs/dbraw/zinc/93/12/22/976931222.db2.gz MRPQURLGNHIUCA-JOCHJYFZSA-N 1 0 401.514 3.805 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000429690694 976983073 /nfs/dbraw/zinc/98/30/73/976983073.db2.gz JTDPLMPFMYQLOC-UHFFFAOYSA-N 1 0 423.439 3.602 20 30 HHEDRO C[NH+](C)Cc1cc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1F ZINC000429791642 977070602 /nfs/dbraw/zinc/07/06/02/977070602.db2.gz IKMCXQIKCITSJM-UHFFFAOYSA-N 1 0 405.477 3.594 20 30 HHEDRO N#Cc1ccc([C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C(N)=O)cc1 ZINC000429805988 977080979 /nfs/dbraw/zinc/08/09/79/977080979.db2.gz JKDSWJRSGIBVFK-MPGHIAIKSA-N 1 0 402.267 3.522 20 30 HHEDRO C[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1OCCc2sccc21 ZINC000429828449 977097575 /nfs/dbraw/zinc/09/75/75/977097575.db2.gz OGJSHAKTLNLYOC-HTAPYJJXSA-N 1 0 409.555 3.604 20 30 HHEDRO N#CCCn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1-c1ccccc1 ZINC000430295996 977455857 /nfs/dbraw/zinc/45/58/57/977455857.db2.gz RYKOQXRGWDVCAU-SIKLNZKXSA-N 1 0 403.530 3.553 20 30 HHEDRO C=CCN1C(=O)N(C2CC[NH+](CCc3ccccc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430747914 977726075 /nfs/dbraw/zinc/72/60/75/977726075.db2.gz BDGJLWOLFBKCNF-XMMPIXPASA-N 1 0 417.553 3.755 20 30 HHEDRO C=CCN1C(=O)N([C@@H](C[NH+]2CCCC2)c2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430853672 977807010 /nfs/dbraw/zinc/80/70/10/977807010.db2.gz XKVVBGPDZPRDDO-GOTSBHOMSA-N 1 0 403.526 3.885 20 30 HHEDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)c1ccccc1 ZINC000430870403 977833914 /nfs/dbraw/zinc/83/39/14/977833914.db2.gz UKEJSANPXUJIPE-OAQYLSRUSA-N 1 0 413.525 3.949 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)n2)CC1 ZINC000431038650 977970652 /nfs/dbraw/zinc/97/06/52/977970652.db2.gz UDGKRTYXQBXWKB-UHFFFAOYSA-N 1 0 417.351 3.714 20 30 HHEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000431377980 978251983 /nfs/dbraw/zinc/25/19/83/978251983.db2.gz QTLQCGHBYKEHTE-AVRDEDQJSA-N 1 0 418.541 3.596 20 30 HHEDRO C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000431388027 978262159 /nfs/dbraw/zinc/26/21/59/978262159.db2.gz LCTGXFORYRBPPQ-KNQAVFIVSA-N 1 0 421.541 3.749 20 30 HHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000432186826 978705453 /nfs/dbraw/zinc/70/54/53/978705453.db2.gz RECWJWPLDPWBNN-OAQYLSRUSA-N 1 0 418.541 3.648 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2cccc(C#N)c2C)cc1OC ZINC000432294033 978748967 /nfs/dbraw/zinc/74/89/67/978748967.db2.gz OSMCPWWLBMNCCQ-UHFFFAOYSA-N 1 0 410.518 3.918 20 30 HHEDRO C=CCOc1ccc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)cc1Cl ZINC000432630369 978917448 /nfs/dbraw/zinc/91/74/48/978917448.db2.gz KFUZJORSNMLFOI-UHFFFAOYSA-N 1 0 401.894 3.986 20 30 HHEDRO N#CCCC[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000433019232 979043733 /nfs/dbraw/zinc/04/37/33/979043733.db2.gz MFUFXMGNJGUNRL-LJQANCHMSA-N 1 0 422.485 3.521 20 30 HHEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)cc1 ZINC000433294662 979220902 /nfs/dbraw/zinc/22/09/02/979220902.db2.gz NBXYDCAZNCINQR-IBGZPJMESA-N 1 0 412.331 3.502 20 30 HHEDRO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433303624 979225206 /nfs/dbraw/zinc/22/52/06/979225206.db2.gz ISJXKVHQJLWCFH-UHFFFAOYSA-N 1 0 408.502 3.758 20 30 HHEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CN1Cc1ccccc1 ZINC000433306395 979226942 /nfs/dbraw/zinc/22/69/42/979226942.db2.gz QZPHCJDBPZMGJB-AUSIDOKSSA-N 1 0 400.530 3.611 20 30 HHEDRO N#CC1(NC(=O)C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CCCCC1 ZINC000433319479 979233704 /nfs/dbraw/zinc/23/37/04/979233704.db2.gz RAZDRKPDLULKRX-QGZVFWFLSA-N 1 0 404.352 3.656 20 30 HHEDRO N#CCCn1cc(CNC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c(-c2ccncc2)n1 ZINC000433336848 979246159 /nfs/dbraw/zinc/24/61/59/979246159.db2.gz QYGNNFYDQUIMAX-QHCPKHFHSA-N 1 0 406.578 3.993 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000433754473 979549084 /nfs/dbraw/zinc/54/90/84/979549084.db2.gz VYPOJSMFIOANED-UHFFFAOYSA-N 1 0 403.433 3.851 20 30 HHEDRO CCOC(=O)CC1([NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCCC1 ZINC000434611308 980292378 /nfs/dbraw/zinc/29/23/78/980292378.db2.gz FTEVMNSYJBBKGX-UHFFFAOYSA-N 1 0 405.926 3.751 20 30 HHEDRO COc1cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000434710407 980349039 /nfs/dbraw/zinc/34/90/39/980349039.db2.gz XRVBBFOGCFYUIF-BGYRXZFFSA-N 1 0 423.557 3.687 20 30 HHEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434855958 980450340 /nfs/dbraw/zinc/45/03/40/980450340.db2.gz PXZTXTMDCOETQD-FQEVSTJZSA-N 1 0 423.517 3.819 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434870453 980458982 /nfs/dbraw/zinc/45/89/82/980458982.db2.gz QPQGBCZTUOFMDY-UTKZUKDTSA-N 1 0 408.571 3.889 20 30 HHEDRO C=CCC[C@H](NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccccc1 ZINC000434978141 980545204 /nfs/dbraw/zinc/54/52/04/980545204.db2.gz UJZZMSUNJKDLPT-QFIPXVFZSA-N 1 0 407.562 3.730 20 30 HHEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000435006326 980565516 /nfs/dbraw/zinc/56/55/16/980565516.db2.gz YFAWJNLEMDSDBF-CTNGQTDRSA-N 1 0 411.594 3.979 20 30 HHEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C3(c4cccc(C#N)c4)CC3)CC2)cc1 ZINC000435014030 980571388 /nfs/dbraw/zinc/57/13/88/980571388.db2.gz VQEDZALEJRXFNJ-UHFFFAOYSA-N 1 0 403.526 3.627 20 30 HHEDRO N#Cc1ccsc1N1CC[C@@H](N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000435024998 980580012 /nfs/dbraw/zinc/58/00/12/980580012.db2.gz GWDCNATXCQTILQ-QPPBQGQZSA-N 1 0 420.582 3.713 20 30 HHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000435124128 980656524 /nfs/dbraw/zinc/65/65/24/980656524.db2.gz MBOODXXCXTWXNS-HSZRJFAPSA-N 1 0 400.530 3.960 20 30 HHEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000435124129 980656683 /nfs/dbraw/zinc/65/66/83/980656683.db2.gz MBOODXXCXTWXNS-QHCPKHFHSA-N 1 0 400.530 3.960 20 30 HHEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2ccncc2)n1 ZINC000435137629 980668990 /nfs/dbraw/zinc/66/89/90/980668990.db2.gz MZGHMWCDEDAFNB-HXUWFJFHSA-N 1 0 401.470 3.925 20 30 HHEDRO N#CCCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(-c2ccncc2)n1 ZINC000435139239 980670571 /nfs/dbraw/zinc/67/05/71/980670571.db2.gz WAYRPUGHASUZHV-UHFFFAOYSA-N 1 0 402.458 3.932 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1OC ZINC000435161273 980689419 /nfs/dbraw/zinc/68/94/19/980689419.db2.gz BETIGLOIDVCRIX-UHFFFAOYSA-N 1 0 414.481 3.748 20 30 HHEDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000435537085 980927693 /nfs/dbraw/zinc/92/76/93/980927693.db2.gz NNAZKUCHIAJEIT-UHFFFAOYSA-N 1 0 402.502 3.648 20 30 HHEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnn(Cc4ccc(F)cc4)c3)CC2)nc1 ZINC000436415506 981356730 /nfs/dbraw/zinc/35/67/30/981356730.db2.gz RYRXZLICOFKRKZ-UHFFFAOYSA-N 1 0 405.477 3.817 20 30 HHEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(N2CCOCC2)c1 ZINC000437085618 981753880 /nfs/dbraw/zinc/75/38/80/981753880.db2.gz GQCNIUJGTFFWGM-FBHNJWQJSA-N 1 0 406.530 3.831 20 30 HHEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000437113335 981768609 /nfs/dbraw/zinc/76/86/09/981768609.db2.gz WPZPZLSBPVIFPV-VQSBYGRUSA-N 1 0 408.502 3.659 20 30 HHEDRO O=C(NCc1ccccc1)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000448453896 981790378 /nfs/dbraw/zinc/79/03/78/981790378.db2.gz DPWUMQPWGZORBE-UHFFFAOYSA-N 1 0 416.443 3.965 20 30 HHEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000448466330 981802230 /nfs/dbraw/zinc/80/22/30/981802230.db2.gz MITQZJSEAZAZIT-KPQWGBOZSA-N 1 0 412.578 3.915 20 30 HHEDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000437231185 981888773 /nfs/dbraw/zinc/88/87/73/981888773.db2.gz GFAYAURPRMLMAJ-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000460215734 981990813 /nfs/dbraw/zinc/99/08/13/981990813.db2.gz ZTNXQBPMBHQOKZ-LJQANCHMSA-N 1 0 408.546 3.846 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460556493 982342902 /nfs/dbraw/zinc/34/29/02/982342902.db2.gz SPGLGRNSQSPDNM-HKUYNNGSSA-N 1 0 411.550 3.601 20 30 HHEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460564639 982349594 /nfs/dbraw/zinc/34/95/94/982349594.db2.gz XJLSAISAJNUTNT-UGKGYDQZSA-N 1 0 411.594 3.815 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460576854 982361269 /nfs/dbraw/zinc/36/12/69/982361269.db2.gz RFRYFVMEPPRQQG-MOPGFXCFSA-N 1 0 411.550 3.505 20 30 HHEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460583671 982368161 /nfs/dbraw/zinc/36/81/61/982368161.db2.gz KYVFSYSFPPQPKA-CTNGQTDRSA-N 1 0 404.562 3.920 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000437958790 982488656 /nfs/dbraw/zinc/48/86/56/982488656.db2.gz XURFXHMIJOCEDF-FCHUYYIVSA-N 1 0 408.933 3.985 20 30 HHEDRO C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460783869 982536468 /nfs/dbraw/zinc/53/64/68/982536468.db2.gz ZBYOIHJFPIWUKB-OPYAIIAOSA-N 1 0 411.550 3.533 20 30 HHEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460802731 982555412 /nfs/dbraw/zinc/55/54/12/982555412.db2.gz CHBROUYRNZWZDN-PKOBYXMFSA-N 1 0 401.530 3.739 20 30 HHEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000438156719 982620383 /nfs/dbraw/zinc/62/03/83/982620383.db2.gz PAJNOHWOYCERBG-OAQYLSRUSA-N 1 0 410.562 3.908 20 30 HHEDRO C=C(C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nnc1C(C)(C)c1ccccc1 ZINC000460930463 982668566 /nfs/dbraw/zinc/66/85/66/982668566.db2.gz IHWZLONFQKPMLH-HXUWFJFHSA-N 1 0 423.605 3.870 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460945356 982681371 /nfs/dbraw/zinc/68/13/71/982681371.db2.gz AFSBMLGHPZDJDJ-PKOBYXMFSA-N 1 0 413.566 3.847 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(OC)c2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460955736 982688911 /nfs/dbraw/zinc/68/89/11/982688911.db2.gz CXFNAFPDUQRSFK-ROUUACIJSA-N 1 0 413.566 3.847 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460960127 982692010 /nfs/dbraw/zinc/69/20/10/982692010.db2.gz PGVMLIIBPOFDNC-PXNSSMCTSA-N 1 0 413.566 3.705 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2)C(C)C ZINC000460984924 982708295 /nfs/dbraw/zinc/70/82/95/982708295.db2.gz DXLOKSJXFKZNMP-NRFANRHFSA-N 1 0 409.530 3.881 20 30 HHEDRO CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000438661518 982979357 /nfs/dbraw/zinc/97/93/57/982979357.db2.gz SIPBNLOLYSFKLU-LPHOPBHVSA-N 1 0 424.932 3.834 20 30 HHEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H](C[NH+](C)C)C3)sc2C1 ZINC000461364052 983041024 /nfs/dbraw/zinc/04/10/24/983041024.db2.gz SPYMQYDWAGWVNO-IRXDYDNUSA-N 1 0 416.635 3.983 20 30 HHEDRO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438780825 983067424 /nfs/dbraw/zinc/06/74/24/983067424.db2.gz IWHVPMSUNQNOQQ-INIZCTEOSA-N 1 0 416.294 3.685 20 30 HHEDRO N#Cc1cc(F)cc(C2(C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)CC2)c1 ZINC000461453964 983119604 /nfs/dbraw/zinc/11/96/04/983119604.db2.gz ZHSCQTZZTXZVIF-SFTDATJTSA-N 1 0 403.501 3.709 20 30 HHEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461458771 983125901 /nfs/dbraw/zinc/12/59/01/983125901.db2.gz UYCVUKLOYIVVTJ-YADHBBJMSA-N 1 0 403.526 3.696 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000439231430 983321156 /nfs/dbraw/zinc/32/11/56/983321156.db2.gz CERWZUABRGEDGN-GOSISDBHSA-N 1 0 417.962 3.744 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000439587154 983462328 /nfs/dbraw/zinc/46/23/28/983462328.db2.gz KNNDMNYTEPLTIV-UHFFFAOYSA-N 1 0 410.562 3.515 20 30 HHEDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000440049388 983625486 /nfs/dbraw/zinc/62/54/86/983625486.db2.gz IUWPHGLNNDXPFZ-VQIMIIECSA-N 1 0 424.932 3.662 20 30 HHEDRO N#Cc1cnc2c(Br)cccc2c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000440646933 983837236 /nfs/dbraw/zinc/83/72/36/983837236.db2.gz LMCUXPFMPXFGNL-UHFFFAOYSA-N 1 0 415.335 3.926 20 30 HHEDRO COc1cc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc1C#N ZINC000440820208 983921191 /nfs/dbraw/zinc/92/11/91/983921191.db2.gz FMOSAFZYSQCXCH-HXUWFJFHSA-N 1 0 419.447 3.749 20 30 HHEDRO COc1cc(C[NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)ccc1C#N ZINC000440831729 983928043 /nfs/dbraw/zinc/92/80/43/983928043.db2.gz NMRMEMZMJGONBD-YWZLYKJASA-N 1 0 417.912 3.911 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)c1 ZINC000440929644 983984151 /nfs/dbraw/zinc/98/41/51/983984151.db2.gz RHFOYCMLTKRURH-FQEVSTJZSA-N 1 0 416.481 3.527 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NCC3CCC(C#N)CC3)CC2)c1 ZINC000440991574 984014573 /nfs/dbraw/zinc/01/45/73/984014573.db2.gz RFTWLHSQEFZWSA-UHFFFAOYSA-N 1 0 411.594 3.526 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441193234 984108252 /nfs/dbraw/zinc/10/82/52/984108252.db2.gz HJXSLTQIVZJQBI-WOJBJXKFSA-N 1 0 406.530 3.653 20 30 HHEDRO C[C@@H](O)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441220608 984122559 /nfs/dbraw/zinc/12/25/59/984122559.db2.gz CSOZQYHDKIUYSM-RBUKOAKNSA-N 1 0 413.949 3.901 20 30 HHEDRO N#Cc1c(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)sc2c1CCCCC2 ZINC000441396373 984229349 /nfs/dbraw/zinc/22/93/49/984229349.db2.gz QOSZVIAJXDUFPU-JXFKEZNVSA-N 1 0 412.603 3.776 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441407018 984236236 /nfs/dbraw/zinc/23/62/36/984236236.db2.gz ZBOOSHALJMXFPZ-YZUZCNPQSA-N 1 0 408.590 3.887 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cccs1 ZINC000441924325 984543471 /nfs/dbraw/zinc/54/34/71/984543471.db2.gz JVPOBUDBGWTSRL-OXJNMPFZSA-N 1 0 424.570 3.687 20 30 HHEDRO Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1C#N ZINC000441976238 984576174 /nfs/dbraw/zinc/57/61/74/984576174.db2.gz LKPGKUNAZPRFEV-HSZRJFAPSA-N 1 0 409.555 3.544 20 30 HHEDRO CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1C#N ZINC000442083601 984628181 /nfs/dbraw/zinc/62/81/81/984628181.db2.gz SFHZOEIIHIGNFK-UHFFFAOYSA-N 1 0 420.513 3.559 20 30 HHEDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC[N@@H+]1C ZINC000442167995 984690158 /nfs/dbraw/zinc/69/01/58/984690158.db2.gz JMOOUHHXCQARNK-XFQXTVEOSA-N 1 0 424.932 3.533 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000442663361 985138155 /nfs/dbraw/zinc/13/81/55/985138155.db2.gz JVXQWUHRLAIPCS-GOSISDBHSA-N 1 0 424.932 3.521 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000442668587 985144596 /nfs/dbraw/zinc/14/45/96/985144596.db2.gz AMSCEYDTGFGVOM-OAQYLSRUSA-N 1 0 421.541 3.561 20 30 HHEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000442674432 985147113 /nfs/dbraw/zinc/14/71/13/985147113.db2.gz CGQKLYVQGNTNMT-CVEARBPZSA-N 1 0 403.482 3.934 20 30 HHEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccc(I)cc2)C1 ZINC000442871254 985252393 /nfs/dbraw/zinc/25/23/93/985252393.db2.gz HTXZXCOYKKLCMJ-BPQIPLTHSA-N 1 0 409.315 3.537 20 30 HHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1cccs1 ZINC000462307970 985293851 /nfs/dbraw/zinc/29/38/51/985293851.db2.gz YVCACLBPWQZIOE-KBXCAEBGSA-N 1 0 409.964 3.635 20 30 HHEDRO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000443089255 985369430 /nfs/dbraw/zinc/36/94/30/985369430.db2.gz CXJQUGABMHGKLJ-UHFFFAOYSA-N 1 0 423.460 3.651 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000443091145 985370178 /nfs/dbraw/zinc/37/01/78/985370178.db2.gz HDPBYNVFWDDTKV-UHFFFAOYSA-N 1 0 423.513 3.904 20 30 HHEDRO COc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000462483464 985439259 /nfs/dbraw/zinc/43/92/59/985439259.db2.gz LXBJFDBYBVGXOU-GCJKJVERSA-N 1 0 406.530 3.761 20 30 HHEDRO N#Cc1ccc(CN2CCC[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000443465506 985639648 /nfs/dbraw/zinc/63/96/48/985639648.db2.gz HTMYKRRDVVQKFZ-OAQYLSRUSA-N 1 0 417.475 3.688 20 30 HHEDRO C[N@H+](CCOc1cccc(CNc2c(C#N)cnc3ccccc32)c1)C1CCOCC1 ZINC000462812150 985741835 /nfs/dbraw/zinc/74/18/35/985741835.db2.gz LZWMVDMMMDGAOE-UHFFFAOYSA-N 1 0 416.525 3.630 20 30 HHEDRO COc1cccc([C@H](C)[NH+]2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)c1 ZINC000462814495 985743010 /nfs/dbraw/zinc/74/30/10/985743010.db2.gz FSEBDBWYGBYBHE-INIZCTEOSA-N 1 0 417.469 3.906 20 30 HHEDRO N#Cc1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000462840427 985762934 /nfs/dbraw/zinc/76/29/34/985762934.db2.gz MGDFFQARUJUSMC-UHFFFAOYSA-N 1 0 417.469 4.101 20 30 HHEDRO COc1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000443594613 985770553 /nfs/dbraw/zinc/77/05/53/985770553.db2.gz RJKSBWSSAHZEET-QFIPXVFZSA-N 1 0 417.513 3.650 20 30 HHEDRO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000443641954 985830800 /nfs/dbraw/zinc/83/08/00/985830800.db2.gz XHPYAQAACJBVHU-UZLBHIALSA-N 1 0 404.445 3.823 20 30 HHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000443674049 985880945 /nfs/dbraw/zinc/88/09/45/985880945.db2.gz KLCBQTFZEDKHGN-WOJBJXKFSA-N 1 0 421.541 3.756 20 30 HHEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000443675358 985884082 /nfs/dbraw/zinc/88/40/82/985884082.db2.gz QXRKDYWVSYFODA-RTBURBONSA-N 1 0 406.530 3.921 20 30 HHEDRO C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(C)(C)C[NH+](C)C ZINC000443687398 985900234 /nfs/dbraw/zinc/90/02/34/985900234.db2.gz WWMSUEYPSJNPGW-MRXNPFEDSA-N 1 0 407.518 3.908 20 30 HHEDRO COc1ccc([C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+]2CCCC2)cc1 ZINC000468247327 985944372 /nfs/dbraw/zinc/94/43/72/985944372.db2.gz PIWUSDJOGVFEOZ-QFIPXVFZSA-N 1 0 416.481 3.789 20 30 HHEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000443836246 986034313 /nfs/dbraw/zinc/03/43/13/986034313.db2.gz GSWQNOLEBDUAQU-DYESRHJHSA-N 1 0 406.530 3.542 20 30 HHEDRO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1cccc(Cl)c1 ZINC000463214342 986186470 /nfs/dbraw/zinc/18/64/70/986186470.db2.gz PKUFGKRJOVQGSO-HBMCJLEFSA-N 1 0 403.954 3.992 20 30 HHEDRO Cc1cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)ccc1C#N ZINC000443995003 986195725 /nfs/dbraw/zinc/19/57/25/986195725.db2.gz GLNVQJXNDGWXAX-UHFFFAOYSA-N 1 0 400.320 3.768 20 30 HHEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000463246992 986216032 /nfs/dbraw/zinc/21/60/32/986216032.db2.gz LSOGVYQZHCUICH-JXFKEZNVSA-N 1 0 421.379 3.933 20 30 HHEDRO COc1cccc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C2CCC(O)CC2)c1 ZINC000444129823 986322483 /nfs/dbraw/zinc/32/24/83/986322483.db2.gz PDCGTIAFLXINBC-UHFFFAOYSA-N 1 0 407.514 3.701 20 30 HHEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)CC[C@H]2CCCC[N@@H+]2C)c1C#N ZINC000444167025 986343103 /nfs/dbraw/zinc/34/31/03/986343103.db2.gz CXNOYYHMVAAYJA-JOCHJYFZSA-N 1 0 421.589 3.770 20 30 HHEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463429893 986400856 /nfs/dbraw/zinc/40/08/56/986400856.db2.gz LOPHOSPGLLSRIH-OFVILXPXSA-N 1 0 405.542 3.639 20 30 HHEDRO CC(C)n1cc(Br)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000463483963 986459801 /nfs/dbraw/zinc/45/98/01/986459801.db2.gz BLYRRXZCPOJROZ-UHFFFAOYSA-N 1 0 417.351 3.907 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000463506349 986481638 /nfs/dbraw/zinc/48/16/38/986481638.db2.gz JNOBVMAADDAIQS-ROUUACIJSA-N 1 0 401.432 3.669 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468771073 986483988 /nfs/dbraw/zinc/48/39/88/986483988.db2.gz ASRVECWEUHLVOJ-UHFFFAOYSA-N 1 0 410.424 3.695 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000468910359 986617269 /nfs/dbraw/zinc/61/72/69/986617269.db2.gz ILXYTDSXLUOVGT-FQEVSTJZSA-N 1 0 412.534 3.693 20 30 HHEDRO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000463691392 986674223 /nfs/dbraw/zinc/67/42/23/986674223.db2.gz RBDRVVRQPNWYQO-VWNXMTODSA-N 1 0 422.525 3.976 20 30 HHEDRO N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(Cl)c1 ZINC000444532628 986721008 /nfs/dbraw/zinc/72/10/08/986721008.db2.gz UYKNBZNMEYASLI-SFHVURJKSA-N 1 0 400.954 3.515 20 30 HHEDRO C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000444543452 986732724 /nfs/dbraw/zinc/73/27/24/986732724.db2.gz FHXGICKSICTAAL-QGZVFWFLSA-N 1 0 409.555 3.627 20 30 HHEDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000444543481 986732876 /nfs/dbraw/zinc/73/28/76/986732876.db2.gz FKAKIGASEUKZKL-FQEVSTJZSA-N 1 0 415.493 3.779 20 30 HHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444605023 986792395 /nfs/dbraw/zinc/79/23/95/986792395.db2.gz CNZVLTXHZPIKCP-FQEVSTJZSA-N 1 0 405.384 3.507 20 30 HHEDRO N#CC(CC[NH+]1CCC(N2CCCNC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000444656598 986836929 /nfs/dbraw/zinc/83/69/29/986836929.db2.gz GYRMUTXRNUHQJO-UHFFFAOYSA-N 1 0 402.542 3.766 20 30 HHEDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000444774034 986932065 /nfs/dbraw/zinc/93/20/65/986932065.db2.gz HGASRTIWLREEGI-NRFANRHFSA-N 1 0 403.548 3.635 20 30 HHEDRO C=CC[C@H]1[N@H+](CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CCCC1(C)C ZINC000444774003 986932593 /nfs/dbraw/zinc/93/25/93/986932593.db2.gz HDWCYIQUCCFTTD-PZJWPPBQSA-N 1 0 403.611 3.550 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1Cl ZINC000444775863 986933360 /nfs/dbraw/zinc/93/33/60/986933360.db2.gz ATRVFOYCSCGCLU-UHFFFAOYSA-N 1 0 411.933 3.857 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000444788169 986943650 /nfs/dbraw/zinc/94/36/50/986943650.db2.gz UCCBJFOQAWAIIE-HXUWFJFHSA-N 1 0 423.532 3.778 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000469223492 986945764 /nfs/dbraw/zinc/94/57/64/986945764.db2.gz GRFMWMQFVYOGKM-LJQANCHMSA-N 1 0 409.486 3.750 20 30 HHEDRO N#CCCN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc2c(c1)OCCO2 ZINC000469255475 986974293 /nfs/dbraw/zinc/97/42/93/986974293.db2.gz SAABYZBSRDNUGK-UHFFFAOYSA-N 1 0 400.438 3.579 20 30 HHEDRO C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000469338077 987045117 /nfs/dbraw/zinc/04/51/17/987045117.db2.gz DSSKYMNTSQWKKA-IBGZPJMESA-N 1 0 417.340 3.735 20 30 HHEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469490778 987171282 /nfs/dbraw/zinc/17/12/82/987171282.db2.gz XOQJNAHFLYJYAI-RDTXWAMCSA-N 1 0 405.420 3.763 20 30 HHEDRO C[NH+](C)CCc1ccc(CNC(=O)c2occc2COc2cccc(C#N)c2)cc1 ZINC000469494278 987174321 /nfs/dbraw/zinc/17/43/21/987174321.db2.gz QTOJQOWGUVPBMJ-UHFFFAOYSA-N 1 0 403.482 3.764 20 30 HHEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000469736327 987386261 /nfs/dbraw/zinc/38/62/61/987386261.db2.gz WHWGKRRCBTXTEA-ROUUACIJSA-N 1 0 413.566 3.713 20 30 HHEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCC(=O)N(CCC#N)c1ccccc1 ZINC000469758577 987412075 /nfs/dbraw/zinc/41/20/75/987412075.db2.gz RWKYTRCHDDCSAU-NHCUHLMSSA-N 1 0 404.558 3.679 20 30 HHEDRO CN1CC[N@H+](CCCNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000469982910 987599422 /nfs/dbraw/zinc/59/94/22/987599422.db2.gz FLCQEFQACRCALF-HSZRJFAPSA-N 1 0 404.558 3.596 20 30 HHEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000470051383 987940815 /nfs/dbraw/zinc/94/08/15/987940815.db2.gz REIYIAXVPDTTTF-MRXNPFEDSA-N 1 0 413.905 3.533 20 30 HHEDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000470170601 988086307 /nfs/dbraw/zinc/08/63/07/988086307.db2.gz XRMGMHUGEYNVAC-PKOBYXMFSA-N 1 0 424.520 3.602 20 30 HHEDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2=O)ccc1Br ZINC000464087914 988209370 /nfs/dbraw/zinc/20/93/70/988209370.db2.gz NGSNCMKJYIGWIB-QGZVFWFLSA-N 1 0 404.333 3.976 20 30 HHEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470555100 988569047 /nfs/dbraw/zinc/56/90/47/988569047.db2.gz FWXFKKUJTOUKFU-ROUUACIJSA-N 1 0 411.550 3.654 20 30 HHEDRO CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[NH+](C)C ZINC000470561656 988577671 /nfs/dbraw/zinc/57/76/71/988577671.db2.gz WGSIHMVAXOYZQK-NRFANRHFSA-N 1 0 413.566 3.757 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000470831993 988905848 /nfs/dbraw/zinc/90/58/48/988905848.db2.gz PDKHSOLXBPHVFK-NTKDMRAZSA-N 1 0 400.526 3.931 20 30 HHEDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000464773011 988998210 /nfs/dbraw/zinc/99/82/10/988998210.db2.gz KHVACMLIRCQUQD-ZWKOTPCHSA-N 1 0 406.596 3.558 20 30 HHEDRO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC1CCN(c2ccccn2)CC1 ZINC000464810927 989045007 /nfs/dbraw/zinc/04/50/07/989045007.db2.gz PZNCYMDYTMQCMV-UHFFFAOYSA-N 1 0 423.586 3.874 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471023303 989094167 /nfs/dbraw/zinc/09/41/67/989094167.db2.gz RWMHJPTUAFZZEX-ILWGZMRPSA-N 1 0 409.599 3.715 20 30 HHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860790 989117176 /nfs/dbraw/zinc/11/71/76/989117176.db2.gz ZXNBCWKHCNTCKM-MXZPZDSOSA-N 1 0 410.606 3.760 20 30 HHEDRO CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000471045336 989123313 /nfs/dbraw/zinc/12/33/13/989123313.db2.gz YXMVNKKQZFNQOS-SJORKVTESA-N 1 0 402.608 3.737 20 30 HHEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000464985984 989290780 /nfs/dbraw/zinc/29/07/80/989290780.db2.gz MRXOCLXEQVCQKN-IBGZPJMESA-N 1 0 419.525 3.984 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)[C@H](C)C1 ZINC000471225741 989368908 /nfs/dbraw/zinc/36/89/08/989368908.db2.gz DXQZOTXSWQHOMR-VGSWGCGISA-N 1 0 407.562 3.566 20 30 HHEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)c1 ZINC000471295635 989455515 /nfs/dbraw/zinc/45/55/15/989455515.db2.gz CBNMAPVYGLZANH-NRFANRHFSA-N 1 0 405.546 3.959 20 30 HHEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)c1ccccc1 ZINC000471369469 989542974 /nfs/dbraw/zinc/54/29/74/989542974.db2.gz ODVSPQIQEHVMQG-PKTZIBPZSA-N 1 0 419.573 3.677 20 30 HHEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471747769 989942755 /nfs/dbraw/zinc/94/27/55/989942755.db2.gz NBDXEZZFRYNYKV-NTKDMRAZSA-N 1 0 400.526 3.789 20 30 HHEDRO COc1ccccc1[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000465699704 990086351 /nfs/dbraw/zinc/08/63/51/990086351.db2.gz XRSHGCJFLZRWDM-OAQYLSRUSA-N 1 0 410.493 3.732 20 30 HHEDRO Cc1cccc2c(CCNC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000465994268 991157978 /nfs/dbraw/zinc/15/79/78/991157978.db2.gz NACKRZOLKCVWAH-UHFFFAOYSA-N 1 0 415.541 3.808 20 30 HHEDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000466520965 991813337 /nfs/dbraw/zinc/81/33/37/991813337.db2.gz VJWRETUTPCBJQP-DENIHFKCSA-N 1 0 418.541 3.774 20 30 HHEDRO CC(C)[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000466593540 991909242 /nfs/dbraw/zinc/90/92/42/991909242.db2.gz QVRAXERODXOWIH-OAQYLSRUSA-N 1 0 421.545 3.969 20 30 HHEDRO Cc1ccc(-c2nc(CNC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)co2)cc1 ZINC000466765320 992072836 /nfs/dbraw/zinc/07/28/36/992072836.db2.gz JTTQMZJRNNZGAI-UHFFFAOYSA-N 1 0 417.513 3.795 20 30 HHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466932807 992244309 /nfs/dbraw/zinc/24/43/09/992244309.db2.gz CXORULRFKSOXKC-FZKQIMNGSA-N 1 0 410.331 3.769 20 30 HHEDRO C[N@H+](CC[C@@H]1CCCO1)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000467141111 992457761 /nfs/dbraw/zinc/45/77/61/992457761.db2.gz UWLNAZRPOFKOQE-IBGZPJMESA-N 1 0 406.530 3.667 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C#N ZINC000467205439 992530135 /nfs/dbraw/zinc/53/01/35/992530135.db2.gz GEBZMBMWXYUCOS-RTWAWAEBSA-N 1 0 411.594 3.977 20 30 HHEDRO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000467273484 992594950 /nfs/dbraw/zinc/59/49/50/992594950.db2.gz RISNKUDKUWJPHN-LJQANCHMSA-N 1 0 412.534 3.695 20 30 HHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)C1 ZINC000467440039 992736388 /nfs/dbraw/zinc/73/63/88/992736388.db2.gz PPJBPZYWFOGFBU-OAHLLOKOSA-N 1 0 419.934 3.733 20 30 HHEDRO Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1OCC[NH+]1CCCC1 ZINC000467443728 992740350 /nfs/dbraw/zinc/74/03/50/992740350.db2.gz LMGVOBYSUBFWPB-UHFFFAOYSA-N 1 0 419.934 3.796 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(OCC3CC3)CC2)c1C#N ZINC000472244535 993271668 /nfs/dbraw/zinc/27/16/68/993271668.db2.gz XJFRRYIPYJAFQO-UHFFFAOYSA-N 1 0 424.545 3.838 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(c3ncc[nH]3)CC2)c1C#N ZINC000472253252 993279309 /nfs/dbraw/zinc/27/93/09/993279309.db2.gz ACMKXOIOBOORPI-UHFFFAOYSA-N 1 0 420.517 3.549 20 30 HHEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000472266097 993289616 /nfs/dbraw/zinc/28/96/16/993289616.db2.gz PYEQDSVAFCDQPR-NQIIRXRSSA-N 1 0 402.498 3.600 20 30 HHEDRO N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000472317261 993328304 /nfs/dbraw/zinc/32/83/04/993328304.db2.gz LEDFAFRMALNQDE-QFIPXVFZSA-N 1 0 418.541 3.633 20 30 HHEDRO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc32)c1 ZINC000472444696 993447642 /nfs/dbraw/zinc/44/76/42/993447642.db2.gz BGJJKWZYFKPJMY-UHFFFAOYSA-N 1 0 403.530 3.950 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000480737573 993603595 /nfs/dbraw/zinc/60/35/95/993603595.db2.gz PDWMWILVZSBVEW-KRWDZBQOSA-N 1 0 407.555 3.504 20 30 HHEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)CCO1 ZINC000472862055 993792630 /nfs/dbraw/zinc/79/26/30/993792630.db2.gz KQBBHTXGWIKCDB-FQEVSTJZSA-N 1 0 403.526 3.803 20 30 HHEDRO CCS[C@@H]1CCCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000480972086 993813260 /nfs/dbraw/zinc/81/32/60/993813260.db2.gz PVSNKHRRXNTPAE-GOSISDBHSA-N 1 0 406.596 3.559 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481050635 993892723 /nfs/dbraw/zinc/89/27/23/993892723.db2.gz BCVRAHZPKBRYMT-QGZVFWFLSA-N 1 0 415.534 3.691 20 30 HHEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000481113213 993949817 /nfs/dbraw/zinc/94/98/17/993949817.db2.gz IHZJKDTUXQXFNJ-HXUWFJFHSA-N 1 0 409.578 3.999 20 30 HHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000481185181 994016532 /nfs/dbraw/zinc/01/65/32/994016532.db2.gz WDMKSKISEKVRPT-VEXUSMLFSA-N 1 0 402.542 3.554 20 30 HHEDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000473255839 994106183 /nfs/dbraw/zinc/10/61/83/994106183.db2.gz PTZZAPGMHULBDN-UHFFFAOYSA-N 1 0 420.513 3.668 20 30 HHEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)c1ccccc1 ZINC000473415906 994268147 /nfs/dbraw/zinc/26/81/47/994268147.db2.gz QXMLBZIDXVCLPA-HSZRJFAPSA-N 1 0 420.557 3.591 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473436658 994286785 /nfs/dbraw/zinc/28/67/85/994286785.db2.gz WFOVXMJAXNEAPV-GOSISDBHSA-N 1 0 416.562 3.860 20 30 HHEDRO Cc1nc(SCC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C#N)c(C)c1C ZINC000473530005 994387763 /nfs/dbraw/zinc/38/77/63/994387763.db2.gz QLMYGSWSDTUDRA-UHFFFAOYSA-N 1 0 400.592 3.884 20 30 HHEDRO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000473567535 994435388 /nfs/dbraw/zinc/43/53/88/994435388.db2.gz HICURJUNVSFSSS-SIKLNZKXSA-N 1 0 414.981 3.703 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481759339 994612162 /nfs/dbraw/zinc/61/21/62/994612162.db2.gz GFBQXSJYCYPMPE-SFTDATJTSA-N 1 0 412.534 3.740 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)nnc1-c1ccco1 ZINC000481759970 994612405 /nfs/dbraw/zinc/61/24/05/994612405.db2.gz ISTCFNZICBJELG-IAGOWNOFSA-N 1 0 417.579 3.585 20 30 HHEDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000473727729 994622462 /nfs/dbraw/zinc/62/24/62/994622462.db2.gz XZVPIIJETHHDKA-UHFFFAOYSA-N 1 0 404.558 3.624 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000473774368 994696187 /nfs/dbraw/zinc/69/61/87/994696187.db2.gz GHFASGAYRSFGPM-OALUTQOASA-N 1 0 420.557 3.881 20 30 HHEDRO C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1 ZINC000473805037 994731497 /nfs/dbraw/zinc/73/14/97/994731497.db2.gz HDCQENIILNDHFG-UHFFFAOYSA-N 1 0 422.533 3.780 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000481914518 994787113 /nfs/dbraw/zinc/78/71/13/994787113.db2.gz ABPPSTQYUXYFCS-DEOSSOPVSA-N 1 0 403.526 3.815 20 30 HHEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000481920146 994792208 /nfs/dbraw/zinc/79/22/08/994792208.db2.gz TVGVGCWXXOFERD-VWLOTQADSA-N 1 0 405.542 3.827 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 ZINC000481957891 994842744 /nfs/dbraw/zinc/84/27/44/994842744.db2.gz QYQIIWNARBJSGY-UHFFFAOYSA-N 1 0 408.428 3.590 20 30 HHEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)CC[N@@H+]2C2CC2)c1 ZINC000482013319 994920117 /nfs/dbraw/zinc/92/01/17/994920117.db2.gz CKIDKGCVFNPORD-XZOQPEGZSA-N 1 0 401.510 3.958 20 30 HHEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474209992 995205227 /nfs/dbraw/zinc/20/52/27/995205227.db2.gz KOPCDCHPZFGGFC-HSZRJFAPSA-N 1 0 409.555 3.544 20 30 HHEDRO C[NH+](C)CCc1ccccc1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000482330582 995309478 /nfs/dbraw/zinc/30/94/78/995309478.db2.gz DKGCGGDFOBTJKD-UHFFFAOYSA-N 1 0 410.493 3.877 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccccn2)Cc2ccc(OC)cc2)CC1 ZINC000474327306 995309671 /nfs/dbraw/zinc/30/96/71/995309671.db2.gz COIAYVDEZORARL-UHFFFAOYSA-N 1 0 422.573 3.885 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000482469694 995473725 /nfs/dbraw/zinc/47/37/25/995473725.db2.gz UFRFZJPWOBBKOF-AWEZNQCLSA-N 1 0 412.347 3.859 20 30 HHEDRO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000482582222 995585215 /nfs/dbraw/zinc/58/52/15/995585215.db2.gz VHTPJKACGWLRDR-UHFFFAOYSA-N 1 0 413.525 3.982 20 30 HHEDRO CC(C)NC(=O)Nc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000482658154 995651590 /nfs/dbraw/zinc/65/15/90/995651590.db2.gz MQCGVECGBGKZJV-UHFFFAOYSA-N 1 0 419.529 3.505 20 30 HHEDRO N#CC1(NC(=O)c2cccc(Nc3cnccn3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000482678101 995670380 /nfs/dbraw/zinc/67/03/80/995670380.db2.gz VKYBKQDDRRHXEU-UHFFFAOYSA-N 1 0 412.497 3.508 20 30 HHEDRO N#Cc1cccc(OCCC[N@H+]2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000482860396 995798235 /nfs/dbraw/zinc/79/82/35/995798235.db2.gz AFTXWYXEKPMBFT-UHFFFAOYSA-N 1 0 415.493 3.646 20 30 HHEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482889230 995819832 /nfs/dbraw/zinc/81/98/32/995819832.db2.gz LIQZPNZFJGSSEY-RZFNWQHOSA-N 1 0 407.537 3.561 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000482932848 995862090 /nfs/dbraw/zinc/86/20/90/995862090.db2.gz PBQCEYILOWDSAG-NSHGMRRFSA-N 1 0 415.607 3.571 20 30 HHEDRO CN(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475140644 995949240 /nfs/dbraw/zinc/94/92/40/995949240.db2.gz SXXNCFQSEHBJMH-OAQYLSRUSA-N 1 0 415.459 3.973 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)c1C#N ZINC000483167591 996014093 /nfs/dbraw/zinc/01/40/93/996014093.db2.gz JCMODGGGSZDKPU-OAHLLOKOSA-N 1 0 412.509 3.526 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000475265072 996033364 /nfs/dbraw/zinc/03/33/64/996033364.db2.gz NUZVKPSNIVWXRG-UHFFFAOYSA-N 1 0 411.521 3.994 20 30 HHEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000475277205 996040719 /nfs/dbraw/zinc/04/07/19/996040719.db2.gz DVOABECPLIGTFB-UHFFFAOYSA-N 1 0 411.521 3.994 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000475424737 996129573 /nfs/dbraw/zinc/12/95/73/996129573.db2.gz PIJFERFSGKXGRS-SCCNAQOGSA-N 1 0 412.331 3.969 20 30 HHEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000475600462 996240673 /nfs/dbraw/zinc/24/06/73/996240673.db2.gz KMFFZTPMMRGQHY-KRWDZBQOSA-N 1 0 404.580 3.949 20 30 HHEDRO N#Cc1ccc(F)c(CNC(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000483784805 996386071 /nfs/dbraw/zinc/38/60/71/996386071.db2.gz HJQOMCKIWOLQEI-UHFFFAOYSA-N 1 0 424.520 3.568 20 30 HHEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1F ZINC000483954640 996489031 /nfs/dbraw/zinc/48/90/31/996489031.db2.gz XUFCIDLLFPKBHY-HNNXBMFYSA-N 1 0 417.282 3.706 20 30 HHEDRO N#CC[C@H](CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1ccccc1 ZINC000476099092 996595379 /nfs/dbraw/zinc/59/53/79/996595379.db2.gz ZCEXLCPXXBQWLU-HXUWFJFHSA-N 1 0 409.505 3.873 20 30 HHEDRO CCS[C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000484241698 996654355 /nfs/dbraw/zinc/65/43/55/996654355.db2.gz GHSVKEPWBNYPCF-LEWJYISDSA-N 1 0 400.592 3.840 20 30 HHEDRO CC(C)[C@@](C)([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Br)cc1 ZINC000484333642 996710137 /nfs/dbraw/zinc/71/01/37/996710137.db2.gz UCIWSRLJBKSFTJ-LJQANCHMSA-N 1 0 405.340 3.566 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000484342581 996715834 /nfs/dbraw/zinc/71/58/34/996715834.db2.gz QXVPUESWYRMWCR-INIZCTEOSA-N 1 0 414.575 3.543 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3cccc(OC)c3)CC2)c(OC)c1 ZINC000476269400 996720328 /nfs/dbraw/zinc/72/03/28/996720328.db2.gz SNWGWGMXDAUYET-QFIPXVFZSA-N 1 0 409.526 3.961 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476315173 996749890 /nfs/dbraw/zinc/74/98/90/996749890.db2.gz RCIUUZNIPGWOOA-LJQANCHMSA-N 1 0 417.962 3.744 20 30 HHEDRO N#CCc1ccc(Oc2ccc(C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2)cc1 ZINC000476390880 996840018 /nfs/dbraw/zinc/84/00/18/996840018.db2.gz JEOJBEFDYHFQHV-OAQYLSRUSA-N 1 0 407.514 3.512 20 30 HHEDRO N#CC1(CS(=O)(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000476490594 996973650 /nfs/dbraw/zinc/97/36/50/996973650.db2.gz KSIHXPMRZXAEJB-UHFFFAOYSA-N 1 0 415.603 3.778 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000484640402 996975111 /nfs/dbraw/zinc/97/51/11/996975111.db2.gz QIBANLJHYLSIRU-QGZVFWFLSA-N 1 0 405.527 3.869 20 30 HHEDRO CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)nc2nc(C(F)(F)F)nn21 ZINC000485046040 997411423 /nfs/dbraw/zinc/41/14/23/997411423.db2.gz SBHURAHPIGLTAU-UHFFFAOYSA-N 1 0 418.423 3.824 20 30 HHEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2)CC1 ZINC000485258238 997650083 /nfs/dbraw/zinc/65/00/83/997650083.db2.gz HZDWHYYWGDSBHG-DEOSSOPVSA-N 1 0 417.557 3.696 20 30 HHEDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000477068944 997716484 /nfs/dbraw/zinc/71/64/84/997716484.db2.gz KERBISIYRRYXMW-POXGOYDTSA-N 1 0 415.584 3.867 20 30 HHEDRO C=C(C)[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000477190973 997860954 /nfs/dbraw/zinc/86/09/54/997860954.db2.gz JEHYGWNZQGUEOR-DENIHFKCSA-N 1 0 415.484 3.648 20 30 HHEDRO CN1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485655992 998103852 /nfs/dbraw/zinc/10/38/52/998103852.db2.gz IRKWXKKFEMBIQG-CTNGQTDRSA-N 1 0 401.482 3.631 20 30 HHEDRO N#Cc1ccc(CN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000477610413 998328269 /nfs/dbraw/zinc/32/82/69/998328269.db2.gz GQOBJRUCBQLRKZ-UHFFFAOYSA-N 1 0 418.541 3.907 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)c1C#N ZINC000486243137 998671370 /nfs/dbraw/zinc/67/13/70/998671370.db2.gz JFEGWPITTQDUBO-UHFFFAOYSA-N 1 0 411.594 3.981 20 30 HHEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C12CCC2 ZINC000477990095 998702638 /nfs/dbraw/zinc/70/26/38/998702638.db2.gz PQQFHOFJOZBFRD-LEWJYISDSA-N 1 0 424.545 3.836 20 30 HHEDRO COCCC1(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000478022263 998718135 /nfs/dbraw/zinc/71/81/35/998718135.db2.gz XDIVKOWEJXGLNR-UHFFFAOYSA-N 1 0 412.578 3.763 20 30 HHEDRO COc1cccc(N2CCC[C@H]([NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)c1 ZINC000478229559 998834719 /nfs/dbraw/zinc/83/47/19/998834719.db2.gz JOPDHXGRYUILQD-NRFANRHFSA-N 1 0 401.514 3.726 20 30 HHEDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCCCOc3cccc(C#N)c3)nc2)CC1 ZINC000478328400 998891337 /nfs/dbraw/zinc/89/13/37/998891337.db2.gz QFGVVXKGGPIJCP-UHFFFAOYSA-N 1 0 421.545 3.671 20 30 HHEDRO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc1OCc1cccc(C#N)c1 ZINC000486791661 998941772 /nfs/dbraw/zinc/94/17/72/998941772.db2.gz OJLWJVCMQOZKQK-OFNKIYASSA-N 1 0 410.539 3.852 20 30 HHEDRO CCOc1c(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000486869149 998982467 /nfs/dbraw/zinc/98/24/67/998982467.db2.gz PLOYPMQUZLOOOU-IBGZPJMESA-N 1 0 413.905 3.510 20 30 HHEDRO C=CCc1ccc(OCC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000487267399 999118624 /nfs/dbraw/zinc/11/86/24/999118624.db2.gz KKOKKXUACDZSAD-UGKGYDQZSA-N 1 0 408.542 3.829 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000487505802 999201846 /nfs/dbraw/zinc/20/18/46/999201846.db2.gz XNHCXTMMSXXCJW-SZTYLXMGSA-N 1 0 412.578 3.530 20 30 HHEDRO C=CCOc1cccc(NC(=O)C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000478945894 999216573 /nfs/dbraw/zinc/21/65/73/999216573.db2.gz ANCAFLJIXPLGHO-LJQANCHMSA-N 1 0 413.562 3.693 20 30 HHEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)Cc1ccccc1 ZINC000487900113 999309622 /nfs/dbraw/zinc/30/96/22/999309622.db2.gz SIUUVIJZVISLSI-QGZVFWFLSA-N 1 0 401.308 3.615 20 30 HHEDRO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000479193188 999319867 /nfs/dbraw/zinc/31/98/67/999319867.db2.gz NEJOSDUVDFABKU-ATKRNPRHSA-N 1 0 410.562 3.908 20 30 HHEDRO N#CC1(NC(=O)Cc2ccc(OC(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479238986 999339941 /nfs/dbraw/zinc/33/99/41/999339941.db2.gz DSHHJSOBQSDLQT-UHFFFAOYSA-N 1 0 417.431 3.802 20 30 HHEDRO N#CC1(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479284818 999364895 /nfs/dbraw/zinc/36/48/95/999364895.db2.gz NACSPTBHUDKJIV-QHCPKHFHSA-N 1 0 419.525 3.533 20 30 HHEDRO COc1ccc(COCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479285530 999365321 /nfs/dbraw/zinc/36/53/21/999365321.db2.gz UQQBVOGNMPVSFO-UHFFFAOYSA-N 1 0 421.541 3.667 20 30 HHEDRO Cc1ccc2ncc(C#N)c(N3CCN(c4ccccc4OCC[NH+](C)C)CC3)c2c1 ZINC000488068313 999365815 /nfs/dbraw/zinc/36/58/15/999365815.db2.gz LUSYARLSOIVTON-UHFFFAOYSA-N 1 0 415.541 3.682 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](O)Cc1cccc(Cl)c1 ZINC000488087498 999372068 /nfs/dbraw/zinc/37/20/68/999372068.db2.gz LYYOUNIWQFAYLL-IBGZPJMESA-N 1 0 421.010 3.842 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2N2CCCC2)CC1 ZINC000479322442 999384914 /nfs/dbraw/zinc/38/49/14/999384914.db2.gz PMLCOAGRJKZQDO-UHFFFAOYSA-N 1 0 407.356 3.821 20 30 HHEDRO Cc1cc(Br)ccc1CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000488454592 999491522 /nfs/dbraw/zinc/49/15/22/999491522.db2.gz ADVWXJFEYWGCJH-UHFFFAOYSA-N 1 0 414.347 3.762 20 30 HHEDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488461290 999494003 /nfs/dbraw/zinc/49/40/03/999494003.db2.gz INZICGRBFNQBBC-JTSKRJEESA-N 1 0 419.529 3.540 20 30 HHEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488473041 999498893 /nfs/dbraw/zinc/49/88/93/999498893.db2.gz VWTWVFBETXBONR-KKSFZXQISA-N 1 0 413.468 3.871 20 30 HHEDRO N#Cc1ccc(OCc2ccc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)o2)cc1 ZINC000479612407 999500691 /nfs/dbraw/zinc/50/06/91/999500691.db2.gz XVUHADRRQFAQBZ-UHFFFAOYSA-N 1 0 416.481 3.520 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(OC(F)(F)F)c1 ZINC000488502091 999509687 /nfs/dbraw/zinc/50/96/87/999509687.db2.gz RYKFAFKBHOJKMJ-LIRRHRJNSA-N 1 0 403.404 3.909 20 30 HHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479687444 999537757 /nfs/dbraw/zinc/53/77/57/999537757.db2.gz FGESCPKVVNKIKE-HXUWFJFHSA-N 1 0 409.555 3.892 20 30 HHEDRO C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488613257 999545834 /nfs/dbraw/zinc/54/58/34/999545834.db2.gz PQWRGVKTVXSFPQ-WDJPJFJCSA-N 1 0 418.541 3.552 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000479742801 999567180 /nfs/dbraw/zinc/56/71/80/999567180.db2.gz JGRHDGYKZQMCNS-GOSISDBHSA-N 1 0 412.559 3.801 20 30 HHEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000479742802 999567265 /nfs/dbraw/zinc/56/72/65/999567265.db2.gz JGRHDGYKZQMCNS-SFHVURJKSA-N 1 0 412.559 3.801 20 30 HHEDRO C=CC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000488687851 999573171 /nfs/dbraw/zinc/57/31/71/999573171.db2.gz GOKWLHIGTIHOPC-VWNXMTODSA-N 1 0 418.585 3.802 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)NCC2([NH+](C)C)CCCCC2)nnc1-c1ccco1 ZINC000479844250 999621766 /nfs/dbraw/zinc/62/17/66/999621766.db2.gz MCHGULSROIDAPO-UHFFFAOYSA-N 1 0 417.579 3.587 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000488915437 999645767 /nfs/dbraw/zinc/64/57/67/999645767.db2.gz HSSRXTMJCYARTG-UHFFFAOYSA-N 1 0 423.513 3.904 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)C[C@H](C)O1 ZINC000479974410 999670058 /nfs/dbraw/zinc/67/00/58/999670058.db2.gz FGDMJTSMUGKEOM-KDURUIRLSA-N 1 0 421.589 3.810 20 30 HHEDRO CCOc1cc2[nH+]ccc(N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2cc1OCC ZINC000489012496 999671763 /nfs/dbraw/zinc/67/17/63/999671763.db2.gz NANDVPHVSTXHIS-KRWDZBQOSA-N 1 0 404.470 3.957 20 30 HHEDRO C[C@]1(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000489059136 999685614 /nfs/dbraw/zinc/68/56/14/999685614.db2.gz HHRMGTKHMMEUSG-ILBGXUMGSA-N 1 0 418.541 3.696 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489325899 999745813 /nfs/dbraw/zinc/74/58/13/999745813.db2.gz GCSNALUFKPIRDC-UHFFFAOYSA-N 1 0 423.561 3.850 20 30 HHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccco1 ZINC000480270204 999760329 /nfs/dbraw/zinc/76/03/29/999760329.db2.gz MXSLIZNTGCGNGZ-YOEHRIQHSA-N 1 0 410.453 3.727 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)Nc2cccc(C[NH+](C)C)c2)nnc1-c1ccco1 ZINC000480324643 999771588 /nfs/dbraw/zinc/77/15/88/999771588.db2.gz IVBKIRHYUQBOPW-UHFFFAOYSA-N 1 0 411.531 3.907 20 30 HHEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000489461324 999772274 /nfs/dbraw/zinc/77/22/74/999772274.db2.gz SUBDYWWHJVTSIU-UHFFFAOYSA-N 1 0 407.518 3.707 20 30 HHEDRO CC[C@H](C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000480394719 999788697 /nfs/dbraw/zinc/78/86/97/999788697.db2.gz OWSWZNPUPFKPLX-YADARESESA-N 1 0 406.574 3.882 20 30 HHEDRO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000489681733 999816624 /nfs/dbraw/zinc/81/66/24/999816624.db2.gz VUDKUVYEIHAKPA-UHFFFAOYSA-N 1 0 410.949 3.994 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000489786019 999838153 /nfs/dbraw/zinc/83/81/53/999838153.db2.gz ZUBCKKGRZKHGDN-UHFFFAOYSA-N 1 0 422.529 3.624 20 30 HHEDRO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000480679245 999857175 /nfs/dbraw/zinc/85/71/75/999857175.db2.gz LXPBIPVKFZVNET-IYBDPMFKSA-N 1 0 406.368 3.642 20 30 HHEDRO C[C@H]1C[NH+](CC2CCN(Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000480679243 999857274 /nfs/dbraw/zinc/85/72/74/999857274.db2.gz LXPBIPVKFZVNET-HOTGVXAUSA-N 1 0 406.368 3.642 20 30 HHEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000490030424 999881179 /nfs/dbraw/zinc/88/11/79/999881179.db2.gz LJTMOFAZZNIVCF-ISKFKSNPSA-N 1 0 402.542 3.508 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4nc(C(F)(F)F)c[nH]4)CC3)C2=O)cc1 ZINC000490043562 999883785 /nfs/dbraw/zinc/88/37/85/999883785.db2.gz YTCWKOFYFOBSGC-QGZVFWFLSA-N 1 0 417.435 3.675 20 30 HHEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490512474 999969922 /nfs/dbraw/zinc/96/99/22/999969922.db2.gz DWFFYONGTPUTHY-LJQANCHMSA-N 1 0 424.932 3.521 20 30 HHEDRO COC(=O)CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000490546503 999975432 /nfs/dbraw/zinc/97/54/32/999975432.db2.gz PFZMHUYKOOSKIT-UHFFFAOYSA-N 1 0 402.498 3.914 20 30 HHEDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000490673857 999991744 /nfs/dbraw/zinc/99/17/44/999991744.db2.gz QTUFYAOEAYHANW-UHFFFAOYSA-N 1 0 402.539 3.694 20 30 HHEDRO Cn1cc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491114889 1000047167 /nfs/dbraw/zinc/04/71/67/1000047167.db2.gz QNGXUWCZVYHIGU-UHFFFAOYSA-N 1 0 413.525 3.695 20 30 HHEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000491526866 1000081200 /nfs/dbraw/zinc/08/12/00/1000081200.db2.gz VXOIISMBXBHMEO-UHFFFAOYSA-N 1 0 410.518 3.998 20 30 HHEDRO C=C(CNC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1 ZINC000491959440 1000102445 /nfs/dbraw/zinc/10/24/45/1000102445.db2.gz PRDOKWGRLWLIGM-UHFFFAOYSA-N 1 0 423.557 3.689 20 30 HHEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC4(CC3)OCCc3ccsc34)C2=O)cc1 ZINC000492462642 1000128015 /nfs/dbraw/zinc/12/80/15/1000128015.db2.gz HCVKFOBDUHASJZ-HXUWFJFHSA-N 1 0 407.539 3.679 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(C#N)ccc3Br)CC2)cc1 ZINC000492466849 1000128353 /nfs/dbraw/zinc/12/83/53/1000128353.db2.gz ZLNUOUPNSOSZRP-UHFFFAOYSA-N 1 0 409.331 3.900 20 30 HHEDRO Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000492672541 1000138328 /nfs/dbraw/zinc/13/83/28/1000138328.db2.gz LSYKTAWYPLKDIZ-UHFFFAOYSA-N 1 0 422.455 3.805 20 30 HHEDRO CCOc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000492696726 1000139648 /nfs/dbraw/zinc/13/96/48/1000139648.db2.gz OUDFNNRFXVWFCX-UHFFFAOYSA-N 1 0 408.458 3.716 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000493602425 1000180953 /nfs/dbraw/zinc/18/09/53/1000180953.db2.gz DQFUBEIKCLMKCL-OAQYLSRUSA-N 1 0 411.571 3.885 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000493806251 1000194558 /nfs/dbraw/zinc/19/45/58/1000194558.db2.gz FHQZQHHURYPDOF-GOSISDBHSA-N 1 0 400.350 3.757 20 30 HHEDRO CC[C@@H](CNC(=O)CCCOc1ccc(C#N)cc1OC)[N@@H+]1CCc2ccccc2C1 ZINC000493864777 1000198820 /nfs/dbraw/zinc/19/88/20/1000198820.db2.gz SFOFPUUNAOWWJO-QFIPXVFZSA-N 1 0 421.541 3.679 20 30 HHEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000504475994 1000224927 /nfs/dbraw/zinc/22/49/27/1000224927.db2.gz CJQFVNQYTVAWKZ-UHFFFAOYSA-N 1 0 422.367 3.524 20 30 HHEDRO Cc1cc(C(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000504548045 1000263786 /nfs/dbraw/zinc/26/37/86/1000263786.db2.gz PLJMWXLTYPJJAN-UXHICEINSA-N 1 0 413.525 3.787 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000494076734 1000297166 /nfs/dbraw/zinc/29/71/66/1000297166.db2.gz DLUZMAGXGFTLCG-ATZDWAIDSA-N 1 0 402.564 3.580 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)C2)n1 ZINC000494079130 1000297879 /nfs/dbraw/zinc/29/78/79/1000297879.db2.gz MWQDUWMGSPPFHQ-OAQYLSRUSA-N 1 0 411.594 3.591 20 30 HHEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494090816 1000303958 /nfs/dbraw/zinc/30/39/58/1000303958.db2.gz UTLIQVCTBZCZOG-UHFFFAOYSA-N 1 0 407.518 3.565 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000494105088 1000310336 /nfs/dbraw/zinc/31/03/36/1000310336.db2.gz HSSPENZZLNFLFT-UHFFFAOYSA-N 1 0 422.476 3.812 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(C2CC2)ncc1Br)C(C)C ZINC000494294126 1000416840 /nfs/dbraw/zinc/41/68/40/1000416840.db2.gz WQVHSIIGNXIAOA-MRXNPFEDSA-N 1 0 407.356 3.545 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCn3ccnc3C2)cc1OCC ZINC000494406929 1000477559 /nfs/dbraw/zinc/47/75/59/1000477559.db2.gz RGHJJJWTIFGBAQ-HNNXBMFYSA-N 1 0 406.324 3.714 20 30 HHEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000494505815 1000529903 /nfs/dbraw/zinc/52/99/03/1000529903.db2.gz PKKSCDHOWOQEHA-FPOVZHCZSA-N 1 0 401.869 3.846 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000505120166 1000560304 /nfs/dbraw/zinc/56/03/04/1000560304.db2.gz MWKFGXAGAAFEPE-UHFFFAOYSA-N 1 0 421.541 3.962 20 30 HHEDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 ZINC000494793735 1000659869 /nfs/dbraw/zinc/65/98/69/1000659869.db2.gz WAMGRUNPBVJAMG-CEXWTWQISA-N 1 0 412.578 3.867 20 30 HHEDRO C=CCOc1ccc(C[NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1Cl ZINC000494843823 1000690602 /nfs/dbraw/zinc/69/06/02/1000690602.db2.gz BWSXWXMBRAANAP-UHFFFAOYSA-N 1 0 400.972 3.587 20 30 HHEDRO COc1ccccc1N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000505466123 1000793293 /nfs/dbraw/zinc/79/32/93/1000793293.db2.gz BZUYRBDLQVJNSQ-UHFFFAOYSA-N 1 0 401.514 3.795 20 30 HHEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000505474905 1000799757 /nfs/dbraw/zinc/79/97/57/1000799757.db2.gz VOYYPMIGVAPKDX-UHFFFAOYSA-N 1 0 420.332 3.616 20 30 HHEDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495082240 1000818257 /nfs/dbraw/zinc/81/82/57/1000818257.db2.gz WUODOPOWRWMIMU-HNNXBMFYSA-N 1 0 417.575 3.881 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000505593846 1000925677 /nfs/dbraw/zinc/92/56/77/1000925677.db2.gz OIFQUBTXIJIKJF-RTWAWAEBSA-N 1 0 413.468 3.584 20 30 HHEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC000505731067 1000997263 /nfs/dbraw/zinc/99/72/63/1000997263.db2.gz HBCVIYUNQCZXQE-PKTZIBPZSA-N 1 0 417.509 3.621 20 30 HHEDRO C=CCOc1ccc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000505750894 1001005887 /nfs/dbraw/zinc/00/58/87/1001005887.db2.gz NSQLAQWHYSFCEM-QHCPKHFHSA-N 1 0 409.530 3.896 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000495445007 1001014464 /nfs/dbraw/zinc/01/44/64/1001014464.db2.gz PFEXCEGLMSJMKJ-IBGZPJMESA-N 1 0 419.635 3.664 20 30 HHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 ZINC000505778457 1001019163 /nfs/dbraw/zinc/01/91/63/1001019163.db2.gz SGTCWCQNYJMTOO-HOYKHHGWSA-N 1 0 413.562 3.939 20 30 HHEDRO C[C@H]1CCCN(C(=O)C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000505790066 1001024945 /nfs/dbraw/zinc/02/49/45/1001024945.db2.gz KOTZGSJOFWXWPU-INIZCTEOSA-N 1 0 416.953 3.511 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)c(F)c1 ZINC000505872785 1001073138 /nfs/dbraw/zinc/07/31/38/1001073138.db2.gz QYDDZVWMNAMGJD-UHFFFAOYSA-N 1 0 420.532 3.826 20 30 HHEDRO N#Cc1ccc(N2CCC(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)c(F)c1 ZINC000506022105 1001168764 /nfs/dbraw/zinc/16/87/64/1001168764.db2.gz QQMLZOGTNSCARW-DEOSSOPVSA-N 1 0 420.532 3.867 20 30 HHEDRO N#Cc1cnc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)c(Cl)c1 ZINC000496802598 1001230263 /nfs/dbraw/zinc/23/02/63/1001230263.db2.gz JAJRCQAYHKFXGG-UHFFFAOYSA-N 1 0 403.313 3.998 20 30 HHEDRO Cc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)nn1-c1cccc(C#N)c1 ZINC000506173727 1001259983 /nfs/dbraw/zinc/25/99/83/1001259983.db2.gz NOJGTJLEGWIXLI-DEOSSOPVSA-N 1 0 413.525 3.928 20 30 HHEDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000506240364 1001300472 /nfs/dbraw/zinc/30/04/72/1001300472.db2.gz LYDUHKMJYUOJRR-QFBILLFUSA-N 1 0 401.919 3.517 20 30 HHEDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N ZINC000506240363 1001300557 /nfs/dbraw/zinc/30/05/57/1001300557.db2.gz LYDUHKMJYUOJRR-APWZRJJASA-N 1 0 401.919 3.517 20 30 HHEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000497372752 1001317434 /nfs/dbraw/zinc/31/74/34/1001317434.db2.gz URZKQFIPXCBODU-GBESFXJTSA-N 1 0 405.608 3.668 20 30 HHEDRO CC[N@H+](CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497612153 1001458570 /nfs/dbraw/zinc/45/85/70/1001458570.db2.gz QZFCARWIGYMREW-IBGZPJMESA-N 1 0 424.589 3.629 20 30 HHEDRO Cc1cc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC000506681961 1001492493 /nfs/dbraw/zinc/49/24/93/1001492493.db2.gz MKWQPHHOCRPWMV-IBGZPJMESA-N 1 0 413.525 3.789 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nnn(-c2ccccc2Cl)c1C)C(C)C ZINC000498357415 1001792855 /nfs/dbraw/zinc/79/28/55/1001792855.db2.gz YIICUKRERMKKLS-LJQANCHMSA-N 1 0 401.942 3.658 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)cc1OC ZINC000498376570 1001807006 /nfs/dbraw/zinc/80/70/06/1001807006.db2.gz UTOSNYIHKVXNGK-WFASDCNBSA-N 1 0 412.246 3.814 20 30 HHEDRO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498381219 1001810758 /nfs/dbraw/zinc/81/07/58/1001810758.db2.gz YBMKRFJFCRNZIR-GOSISDBHSA-N 1 0 418.545 3.786 20 30 HHEDRO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000507229596 1001916674 /nfs/dbraw/zinc/91/66/74/1001916674.db2.gz BZYQMSURJMUZBE-HSZRJFAPSA-N 1 0 420.553 3.910 20 30 HHEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000507284502 1001968817 /nfs/dbraw/zinc/96/88/17/1001968817.db2.gz OFJPTQCLPIUHKG-KBPBESRZSA-N 1 0 417.497 3.612 20 30 HHEDRO N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000507287741 1001971810 /nfs/dbraw/zinc/97/18/10/1001971810.db2.gz ZAFFPUKHXCZZOQ-HXUWFJFHSA-N 1 0 423.944 3.870 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Br)cc1Br ZINC000507310347 1001990506 /nfs/dbraw/zinc/99/05/06/1001990506.db2.gz IAFLJZDTXAOIIY-UHFFFAOYSA-N 1 0 417.145 3.519 20 30 HHEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000507393628 1002045271 /nfs/dbraw/zinc/04/52/71/1002045271.db2.gz MSVRYAWITPUKRF-UHFFFAOYSA-N 1 0 419.550 3.906 20 30 HHEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1[N+](=O)[O-] ZINC000507421021 1002062285 /nfs/dbraw/zinc/06/22/85/1002062285.db2.gz KVRKVPLDGKNRPO-DNVCBOLYSA-N 1 0 408.458 3.711 20 30 HHEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000507603517 1002210249 /nfs/dbraw/zinc/21/02/49/1002210249.db2.gz JAUJXNQRDFBDCK-JIFJKGJMSA-N 1 0 403.570 3.863 20 30 HHEDRO COc1cc(C[C@H](CO)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc(OC)c1 ZINC000507612768 1002218883 /nfs/dbraw/zinc/21/88/83/1002218883.db2.gz ILFCYBUEIZLBKA-QCVKPBSVSA-N 1 0 408.542 3.849 20 30 HHEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000498900888 1002292573 /nfs/dbraw/zinc/29/25/73/1002292573.db2.gz XYJIBSYVOOZHNO-QHCPKHFHSA-N 1 0 410.606 3.994 20 30 HHEDRO CC[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507702337 1002294143 /nfs/dbraw/zinc/29/41/43/1002294143.db2.gz PWDOBIRILFEPKA-SFHVURJKSA-N 1 0 410.949 3.943 20 30 HHEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000507787469 1002344057 /nfs/dbraw/zinc/34/40/57/1002344057.db2.gz FQVVODVNQVHJCN-NRFANRHFSA-N 1 0 402.494 3.995 20 30 HHEDRO COc1ccc(C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccc(OC)cc2)cc1 ZINC000499047524 1002428781 /nfs/dbraw/zinc/42/87/81/1002428781.db2.gz HIAQZQWFJUOXPF-LADGPHEKSA-N 1 0 409.530 3.632 20 30 HHEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC000499169891 1002556574 /nfs/dbraw/zinc/55/65/74/1002556574.db2.gz VURGAOPKLAWTTK-FQEVSTJZSA-N 1 0 407.562 3.931 20 30 HHEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)CC1 ZINC000508083808 1002604979 /nfs/dbraw/zinc/60/49/79/1002604979.db2.gz CHISAVLSXYMUFT-UHFFFAOYSA-N 1 0 422.577 3.574 20 30 HHEDRO C[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000508130129 1002661603 /nfs/dbraw/zinc/66/16/03/1002661603.db2.gz XPFXGJXHCYMHGO-IBGZPJMESA-N 1 0 418.541 3.558 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000508151211 1002686105 /nfs/dbraw/zinc/68/61/05/1002686105.db2.gz PJRNWUUPWCLECV-GOSISDBHSA-N 1 0 419.460 3.956 20 30 HHEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000499564109 1002944165 /nfs/dbraw/zinc/94/41/65/1002944165.db2.gz RDDOQKLKGUXVHJ-UHFFFAOYSA-N 1 0 415.444 3.935 20 30 HHEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000499601271 1002975086 /nfs/dbraw/zinc/97/50/86/1002975086.db2.gz ULKQXNZNVGBAFO-OAQYLSRUSA-N 1 0 413.562 3.829 20 30 HHEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508496046 1002979196 /nfs/dbraw/zinc/97/91/96/1002979196.db2.gz XTDABTAKXPAHHX-UHFFFAOYSA-N 1 0 404.562 3.848 20 30 HHEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508499462 1002982092 /nfs/dbraw/zinc/98/20/92/1002982092.db2.gz ZNBZCMFNHYEICD-UGKGYDQZSA-N 1 0 407.562 3.805 20 30 HHEDRO Cc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[NH+](C)C)cc1 ZINC000508706308 1003143783 /nfs/dbraw/zinc/14/37/83/1003143783.db2.gz JQZPZSRYUMIFRV-QHCPKHFHSA-N 1 0 408.521 3.641 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508728162 1003168456 /nfs/dbraw/zinc/16/84/56/1003168456.db2.gz CEXUPDGCUDSCOK-UHFFFAOYSA-N 1 0 422.360 3.882 20 30 HHEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508738540 1003176900 /nfs/dbraw/zinc/17/69/00/1003176900.db2.gz GUVVDNOSQSXNEA-SIKLNZKXSA-N 1 0 407.562 3.805 20 30 HHEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508794693 1003223014 /nfs/dbraw/zinc/22/30/14/1003223014.db2.gz LTFPTVHXGWGIPZ-QGZVFWFLSA-N 1 0 403.958 3.865 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000508801576 1003229320 /nfs/dbraw/zinc/22/93/20/1003229320.db2.gz LZGFCRXNXZTUIU-IFMALSPDSA-N 1 0 409.578 3.555 20 30 HHEDRO C=CCn1c(COCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508807986 1003234726 /nfs/dbraw/zinc/23/47/26/1003234726.db2.gz FUMHRRRFHKYYKB-RBBKRZOGSA-N 1 0 407.562 3.634 20 30 HHEDRO C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508813972 1003239036 /nfs/dbraw/zinc/23/90/36/1003239036.db2.gz RMTLADPRBSTTFI-UHFFFAOYSA-N 1 0 420.330 3.707 20 30 HHEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000508846112 1003267014 /nfs/dbraw/zinc/26/70/14/1003267014.db2.gz QHONVVXWQOLOHW-UHFFFAOYSA-N 1 0 401.599 3.526 20 30 HHEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000508858298 1003277937 /nfs/dbraw/zinc/27/79/37/1003277937.db2.gz RFHGUCRNCBLLEH-FQEVSTJZSA-N 1 0 418.545 3.736 20 30 HHEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508864699 1003284202 /nfs/dbraw/zinc/28/42/02/1003284202.db2.gz QEBKAUITDYNIKQ-INIZCTEOSA-N 1 0 403.958 3.961 20 30 HHEDRO C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508865143 1003284902 /nfs/dbraw/zinc/28/49/02/1003284902.db2.gz SLJNRTFWISCLHR-UHFFFAOYSA-N 1 0 411.550 3.603 20 30 HHEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508867506 1003287721 /nfs/dbraw/zinc/28/77/21/1003287721.db2.gz QFPWBMIEWIXPFB-UHFFFAOYSA-N 1 0 423.586 3.512 20 30 HHEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000508870629 1003291208 /nfs/dbraw/zinc/29/12/08/1003291208.db2.gz ASUKWOBUDYQIHX-UHFFFAOYSA-N 1 0 401.580 3.543 20 30 HHEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508876056 1003295616 /nfs/dbraw/zinc/29/56/16/1003295616.db2.gz WNSGKYLFFPVIIC-BGYRXZFFSA-N 1 0 424.593 3.550 20 30 HHEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000508879191 1003299870 /nfs/dbraw/zinc/29/98/70/1003299870.db2.gz DOSYNKFHGXBKIG-QHCPKHFHSA-N 1 0 415.541 3.771 20 30 HHEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508887770 1003313689 /nfs/dbraw/zinc/31/36/89/1003313689.db2.gz KICCPRZEWOJZDK-FQEVSTJZSA-N 1 0 404.562 3.779 20 30 HHEDRO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508894747 1003325066 /nfs/dbraw/zinc/32/50/66/1003325066.db2.gz MCNPPKNHJDVIPD-UHFFFAOYSA-N 1 0 402.546 3.952 20 30 HHEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[NH+](C)C ZINC000508898437 1003331231 /nfs/dbraw/zinc/33/12/31/1003331231.db2.gz QCRRZBNCXSYNQC-LEOXJPRUSA-N 1 0 406.530 3.641 20 30 HHEDRO C=CCn1c(N2CC[NH+](C3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000508905723 1003343516 /nfs/dbraw/zinc/34/35/16/1003343516.db2.gz AKKBVYUXYVNQCL-UHFFFAOYSA-N 1 0 403.477 3.657 20 30 HHEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000508917685 1003356165 /nfs/dbraw/zinc/35/61/65/1003356165.db2.gz KIIJZUZFKWTEFC-JOCHJYFZSA-N 1 0 409.578 3.555 20 30 HHEDRO CN(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc2n1 ZINC000508925977 1003368899 /nfs/dbraw/zinc/36/88/99/1003368899.db2.gz UPHVANBZMFZMEI-UHFFFAOYSA-N 1 0 413.525 3.521 20 30 HHEDRO C=CCn1c(COCC)nnc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000508955093 1003412967 /nfs/dbraw/zinc/41/29/67/1003412967.db2.gz ZTQYYHOWADSWQL-UHFFFAOYSA-N 1 0 417.557 3.912 20 30 HHEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000509001001 1003472720 /nfs/dbraw/zinc/47/27/20/1003472720.db2.gz VHQBBSNJTRWGOR-UHFFFAOYSA-N 1 0 416.485 3.608 20 30 HHEDRO C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000509015064 1003487230 /nfs/dbraw/zinc/48/72/30/1003487230.db2.gz ZSAMYIBNVHAKGL-UHFFFAOYSA-N 1 0 422.346 4.000 20 30 HHEDRO Cc1ccc(C[NH+]=C(NCCc2nnnn2-c2ccccc2)Nc2ccccc2)cc1 ZINC000509074058 1003534391 /nfs/dbraw/zinc/53/43/91/1003534391.db2.gz GOYFMBWRUYDAIA-UHFFFAOYSA-N 1 0 411.513 3.771 20 30 HHEDRO C=CCOc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1OC ZINC000500445304 1003722629 /nfs/dbraw/zinc/72/26/29/1003722629.db2.gz BFVXJHOKYWELDI-IBGZPJMESA-N 1 0 424.541 3.890 20 30 HHEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000509382279 1003811462 /nfs/dbraw/zinc/81/14/62/1003811462.db2.gz HIZYYMHNFGNGBV-NRFANRHFSA-N 1 0 424.545 3.800 20 30 HHEDRO CN(c1ccccc1CN1CCN(c2cccc(F)c2C#N)CC1)C1CC[NH+](C)CC1 ZINC000509546195 1003936473 /nfs/dbraw/zinc/93/64/73/1003936473.db2.gz VFVVWEYSNAHBPF-UHFFFAOYSA-N 1 0 421.564 3.550 20 30 HHEDRO C=CCc1cc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc(OC)c1OC ZINC000500754851 1003938678 /nfs/dbraw/zinc/93/86/78/1003938678.db2.gz OTARTTFNSRSVSM-UHFFFAOYSA-N 1 0 403.567 3.696 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C#N ZINC000512148749 1004058655 /nfs/dbraw/zinc/05/86/55/1004058655.db2.gz OWHAGWKVODMQLJ-IIBYNOLFSA-N 1 0 423.536 3.602 20 30 HHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCc2ccncc2)c1C#N ZINC000501033898 1004136763 /nfs/dbraw/zinc/13/67/63/1004136763.db2.gz SVBYWIKAGAVFNQ-UHFFFAOYSA-N 1 0 405.502 3.516 20 30 HHEDRO CN(c1ccccc1CN1CCN(c2ccc(C#N)cc2F)CC1)C1CC[NH+](C)CC1 ZINC000512240290 1004143222 /nfs/dbraw/zinc/14/32/22/1004143222.db2.gz CSMVICRKVNACMU-UHFFFAOYSA-N 1 0 421.564 3.550 20 30 HHEDRO COC(=O)CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000512271251 1004172221 /nfs/dbraw/zinc/17/22/21/1004172221.db2.gz PIYLLJJVYRAWOM-UHFFFAOYSA-N 1 0 402.539 3.694 20 30 HHEDRO N#Cc1ccc(OC2CCC(NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)nc1 ZINC000509923382 1004209822 /nfs/dbraw/zinc/20/98/22/1004209822.db2.gz GTUVRDBLCQJZMB-UHFFFAOYSA-N 1 0 413.481 3.634 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cc1OCCCC#N ZINC000509962000 1004233843 /nfs/dbraw/zinc/23/38/43/1004233843.db2.gz BJSYWDWVKYQVNT-JOCHJYFZSA-N 1 0 421.541 3.701 20 30 HHEDRO N#Cc1cc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cnc1C(F)(F)F ZINC000509984182 1004247072 /nfs/dbraw/zinc/24/70/72/1004247072.db2.gz SMCNNPWBWXRHBO-UHFFFAOYSA-N 1 0 420.357 3.507 20 30 HHEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000512434205 1004299326 /nfs/dbraw/zinc/29/93/26/1004299326.db2.gz VDVJSEPPMGFMJW-HSZRJFAPSA-N 1 0 412.509 3.670 20 30 HHEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510089692 1004315016 /nfs/dbraw/zinc/31/50/16/1004315016.db2.gz UIYDNGWTPJZHFR-CVDCTZTESA-N 1 0 421.589 3.763 20 30 HHEDRO C[C@@H]([NH2+]C1(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCOCC1)c1ccccc1 ZINC000512525865 1004360709 /nfs/dbraw/zinc/36/07/09/1004360709.db2.gz AMZXQKOEHKEGQB-GOSISDBHSA-N 1 0 421.516 3.745 20 30 HHEDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)ccn1 ZINC000512533370 1004366905 /nfs/dbraw/zinc/36/69/05/1004366905.db2.gz CYQSFKAIVLKXCF-UHFFFAOYSA-N 1 0 402.454 3.938 20 30 HHEDRO N#Cc1ccccc1N1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000510272761 1004441536 /nfs/dbraw/zinc/44/15/36/1004441536.db2.gz LRPGLYSMYUSSPC-UHFFFAOYSA-N 1 0 417.557 3.576 20 30 HHEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000512661546 1004472288 /nfs/dbraw/zinc/47/22/88/1004472288.db2.gz SLGVWGGZBUZCGJ-MRXNPFEDSA-N 1 0 401.507 3.510 20 30 HHEDRO C=CCc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1O ZINC000512677727 1004486038 /nfs/dbraw/zinc/48/60/38/1004486038.db2.gz LMMBPIYPBGKVOW-UHFFFAOYSA-N 1 0 408.542 3.966 20 30 HHEDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000501544878 1004504331 /nfs/dbraw/zinc/50/43/31/1004504331.db2.gz GESVWBFFNRRDAC-SJLPKXTDSA-N 1 0 414.600 3.530 20 30 HHEDRO CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccco1 ZINC000510399407 1004536833 /nfs/dbraw/zinc/53/68/33/1004536833.db2.gz YUELBJQRMKZXKM-MLGOLLRUSA-N 1 0 415.437 3.578 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)NCCSCc2ccccc2C#N)[NH+]2CCCC2)o1 ZINC000510424562 1004557298 /nfs/dbraw/zinc/55/72/98/1004557298.db2.gz NQMKHUJIGCXYHB-HXUWFJFHSA-N 1 0 412.559 3.829 20 30 HHEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1Cl ZINC000510445854 1004572013 /nfs/dbraw/zinc/57/20/13/1004572013.db2.gz RCTIQNGCTAGNTM-UHFFFAOYSA-N 1 0 423.879 3.923 20 30 HHEDRO CCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2c(n1)onc2C(C)C ZINC000510472035 1004589193 /nfs/dbraw/zinc/58/91/93/1004589193.db2.gz CUKOGRCMXUMYHJ-UHFFFAOYSA-N 1 0 419.529 3.984 20 30 HHEDRO COC(=O)COc1c(C)cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1C ZINC000510524236 1004651569 /nfs/dbraw/zinc/65/15/69/1004651569.db2.gz WSWRBRXYAFMLLO-UHFFFAOYSA-N 1 0 408.498 3.770 20 30 HHEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCCC(=O)Nc1ccccc1C#N)[NH+](C)C ZINC000510552530 1004689176 /nfs/dbraw/zinc/68/91/76/1004689176.db2.gz VYAQDQTXBKMIPJ-MHECFPHRSA-N 1 0 406.530 3.783 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000510560364 1004703533 /nfs/dbraw/zinc/70/35/33/1004703533.db2.gz RCVWVPYGZXYVEC-OAQYLSRUSA-N 1 0 419.554 3.878 20 30 HHEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)n2c1 ZINC000513056553 1004783007 /nfs/dbraw/zinc/78/30/07/1004783007.db2.gz JYZJIFJBKQYCJR-KRWDZBQOSA-N 1 0 402.433 3.775 20 30 HHEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000513087818 1004798863 /nfs/dbraw/zinc/79/88/63/1004798863.db2.gz GOUSNTGDONHTBS-SFHVURJKSA-N 1 0 418.476 3.669 20 30 HHEDRO CCc1ccc([C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[NH+](C)C)cc1 ZINC000513109405 1004811516 /nfs/dbraw/zinc/81/15/16/1004811516.db2.gz YNXNJBPDBULXHN-OAQYLSRUSA-N 1 0 420.492 3.870 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](Cc3ccc(F)cc3)C(N)=O)c2)c1 ZINC000501933440 1004816750 /nfs/dbraw/zinc/81/67/50/1004816750.db2.gz NCMOCSKTNKSVTC-JOCHJYFZSA-N 1 0 417.484 3.710 20 30 HHEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c1 ZINC000513125879 1004820897 /nfs/dbraw/zinc/82/08/97/1004820897.db2.gz LDVRTEFKRRSNQZ-IBGZPJMESA-N 1 0 414.571 3.962 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C#N)c(C)c1C ZINC000513227893 1004870854 /nfs/dbraw/zinc/87/08/54/1004870854.db2.gz SJTUUXLOYNQPMP-HXUWFJFHSA-N 1 0 408.571 3.751 20 30 HHEDRO Cc1nc(SCC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C#N)c(C)c1C ZINC000513227892 1004870936 /nfs/dbraw/zinc/87/09/36/1004870936.db2.gz SJTUUXLOYNQPMP-FQEVSTJZSA-N 1 0 408.571 3.751 20 30 HHEDRO N#Cc1ccccc1OCC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510947150 1004948508 /nfs/dbraw/zinc/94/85/08/1004948508.db2.gz MZDIYSHVZMMVQE-UHFFFAOYSA-N 1 0 415.291 3.691 20 30 HHEDRO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502197125 1004952295 /nfs/dbraw/zinc/95/22/95/1004952295.db2.gz QVKAOTOKAQETSP-SFHVURJKSA-N 1 0 408.546 3.604 20 30 HHEDRO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502197124 1004952447 /nfs/dbraw/zinc/95/24/47/1004952447.db2.gz QVKAOTOKAQETSP-GOSISDBHSA-N 1 0 408.546 3.604 20 30 HHEDRO C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000510957249 1004953273 /nfs/dbraw/zinc/95/32/73/1004953273.db2.gz FOYAXDWUQYZXPY-UHFFFAOYSA-N 1 0 410.543 3.795 20 30 HHEDRO COc1cc(C#N)ccc1OCCCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502251282 1004977947 /nfs/dbraw/zinc/97/79/47/1004977947.db2.gz JDUXFKMNRLJQNU-UHFFFAOYSA-N 1 0 413.562 3.885 20 30 HHEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)C2)n1 ZINC000502270885 1004987067 /nfs/dbraw/zinc/98/70/67/1004987067.db2.gz DDRFHVHWZCYKDA-DDRJZQQSSA-N 1 0 423.605 3.637 20 30 HHEDRO C[C@H](CCOCc1ccccc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000513706510 1005090273 /nfs/dbraw/zinc/09/02/73/1005090273.db2.gz RFKJBFLJGIXPSM-OAQYLSRUSA-N 1 0 420.557 3.771 20 30 HHEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502533034 1005106092 /nfs/dbraw/zinc/10/60/92/1005106092.db2.gz XMHVTYOLYXAXOC-HXUWFJFHSA-N 1 0 404.297 3.795 20 30 HHEDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000511475453 1005192635 /nfs/dbraw/zinc/19/26/35/1005192635.db2.gz DWLANWJCLDEOES-DENIHFKCSA-N 1 0 421.541 3.500 20 30 HHEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000511484955 1005196901 /nfs/dbraw/zinc/19/69/01/1005196901.db2.gz UUUFIXBSSCFYIS-FQEVSTJZSA-N 1 0 424.932 3.536 20 30 HHEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000511601058 1005240613 /nfs/dbraw/zinc/24/06/13/1005240613.db2.gz XXHJGTJKSRHMQA-UHFFFAOYSA-N 1 0 402.542 3.501 20 30 HHEDRO COc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cc1OCCCC#N ZINC000514076256 1005255021 /nfs/dbraw/zinc/25/50/21/1005255021.db2.gz VBLZBLOORAUPKC-UHFFFAOYSA-N 1 0 410.518 3.858 20 30 HHEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000502981709 1005302373 /nfs/dbraw/zinc/30/23/73/1005302373.db2.gz HVQOQUFVGIUZFH-QFIPXVFZSA-N 1 0 417.575 3.744 20 30 HHEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503031269 1005320929 /nfs/dbraw/zinc/32/09/29/1005320929.db2.gz WGDBALBUHLDWIZ-JOCHJYFZSA-N 1 0 417.575 3.744 20 30 HHEDRO C=CCc1cc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000514232298 1005324106 /nfs/dbraw/zinc/32/41/06/1005324106.db2.gz KCCUZFXZFSQTQN-QZTJIDSGSA-N 1 0 403.567 3.600 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000503048631 1005327055 /nfs/dbraw/zinc/32/70/55/1005327055.db2.gz IQXVIFKAPXWFEQ-UHFFFAOYSA-N 1 0 412.544 3.734 20 30 HHEDRO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000503057289 1005330734 /nfs/dbraw/zinc/33/07/34/1005330734.db2.gz HMNVRHMWSUCWHY-DEOSSOPVSA-N 1 0 413.562 3.940 20 30 HHEDRO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000503159597 1005359586 /nfs/dbraw/zinc/35/95/86/1005359586.db2.gz YOAOVXGKDNCBSK-HXUWFJFHSA-N 1 0 413.525 3.789 20 30 HHEDRO COc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)cc1OCCCC#N ZINC000503267625 1005380766 /nfs/dbraw/zinc/38/07/66/1005380766.db2.gz VBJVLPIPRBUCAI-SFHVURJKSA-N 1 0 419.319 3.963 20 30 HHEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCc4ccccc43)CC2)c(OC)c1 ZINC000503386905 1005404945 /nfs/dbraw/zinc/40/49/45/1005404945.db2.gz UUZYXMADVDNTCR-QHCPKHFHSA-N 1 0 422.569 3.691 20 30 HHEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)C(C)C ZINC000503427708 1005417234 /nfs/dbraw/zinc/41/72/34/1005417234.db2.gz FDPGUXLHFFPGQC-RBBKRZOGSA-N 1 0 412.578 3.745 20 30 HHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1cccs1 ZINC000503454240 1005425321 /nfs/dbraw/zinc/42/53/21/1005425321.db2.gz GYJUIVBLTYOMMU-RDTXWAMCSA-N 1 0 409.964 3.635 20 30 HHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1)CC1CC1 ZINC000503707077 1005483798 /nfs/dbraw/zinc/48/37/98/1005483798.db2.gz HFIZHUJDAQTJCH-UHFFFAOYSA-N 1 0 409.983 3.734 20 30 HHEDRO Cc1cccc(N2CC[NH+](CCC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000504014434 1005532782 /nfs/dbraw/zinc/53/27/82/1005532782.db2.gz VDZIRXBSDYIRSX-UHFFFAOYSA-N 1 0 414.553 3.695 20 30 HHEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)N3CCC(C)(C#N)CC3)cc2)C[C@H]1C ZINC000504444114 1005630729 /nfs/dbraw/zinc/63/07/29/1005630729.db2.gz TTZNUHWBPRKJRV-WOJBJXKFSA-N 1 0 412.578 3.531 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000534022643 1005994777 /nfs/dbraw/zinc/99/47/77/1005994777.db2.gz QITULJKRSVDBAX-FGZHOGPDSA-N 1 0 401.466 3.905 20 30 HHEDRO CC[NH+](CC)CCn1c(NC(=O)[C@H](C)Oc2ccccc2C#N)nc2ccccc21 ZINC000514496588 1006005911 /nfs/dbraw/zinc/00/59/11/1006005911.db2.gz GTPNIJUJKUKZQO-KRWDZBQOSA-N 1 0 405.502 3.656 20 30 HHEDRO COc1cc(CCC2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc(OC)c1 ZINC000514523341 1006019311 /nfs/dbraw/zinc/01/93/11/1006019311.db2.gz ODFKERMMEJMQGF-KOSHJBKYSA-N 1 0 415.578 3.791 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2SCC2CCCCC2)c1C#N ZINC000534057070 1006027875 /nfs/dbraw/zinc/02/78/75/1006027875.db2.gz WWLKFYDQOCSRDW-UHFFFAOYSA-N 1 0 412.563 3.753 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534139743 1006119352 /nfs/dbraw/zinc/11/93/52/1006119352.db2.gz GGTHVSGFYOVRAQ-SFHVURJKSA-N 1 0 413.905 3.845 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccn(-c2ccccc2)n1 ZINC000531409183 1006178685 /nfs/dbraw/zinc/17/86/85/1006178685.db2.gz UFEAOQWZDKFJFC-UHFFFAOYSA-N 1 0 408.575 3.971 20 30 HHEDRO C=CCn1c(Cc2ccccn2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000514972043 1006228878 /nfs/dbraw/zinc/22/88/78/1006228878.db2.gz HWOQEZFHPAIFRW-UHFFFAOYSA-N 1 0 402.546 3.551 20 30 HHEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1OCC ZINC000531564648 1006275668 /nfs/dbraw/zinc/27/56/68/1006275668.db2.gz GQEXKNBBBIJRHN-HNNXBMFYSA-N 1 0 406.324 3.783 20 30 HHEDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)C2)CC1 ZINC000531578315 1006282178 /nfs/dbraw/zinc/28/21/78/1006282178.db2.gz MUKBYWWHIFCCLP-DEOSSOPVSA-N 1 0 417.557 3.542 20 30 HHEDRO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000534309519 1006290961 /nfs/dbraw/zinc/29/09/61/1006290961.db2.gz QGZYACLAJLDEEZ-UHFFFAOYSA-N 1 0 413.319 3.519 20 30 HHEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000515322566 1006393521 /nfs/dbraw/zinc/39/35/21/1006393521.db2.gz QJIQDNNDIJGAON-OXQOHEQNSA-N 1 0 417.347 3.866 20 30 HHEDRO Cc1cc(C(C)(C)[NH2+]CC(=O)NCc2cccc(C#N)c2)ccc1Br ZINC000515505864 1006504911 /nfs/dbraw/zinc/50/49/11/1006504911.db2.gz VUNNOBLRZGXCEJ-UHFFFAOYSA-N 1 0 400.320 3.770 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000534523623 1006518421 /nfs/dbraw/zinc/51/84/21/1006518421.db2.gz DVYNMAALIXKJNZ-FQEVSTJZSA-N 1 0 403.482 3.633 20 30 HHEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000515735625 1006630318 /nfs/dbraw/zinc/63/03/18/1006630318.db2.gz DFVZSZFHFQZOBA-KRWDZBQOSA-N 1 0 421.379 3.676 20 30 HHEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](CCC(C)(C)C)CC2)ccc1Cl ZINC000532097808 1006631907 /nfs/dbraw/zinc/63/19/07/1006631907.db2.gz PWNNYZYDHUGUOA-UHFFFAOYSA-N 1 0 404.986 3.949 20 30 HHEDRO C=CCc1ccc(OC[C@H](O)CN2CCC[N@H+](CC3CCCCC3)CC2)c(OC)c1 ZINC000515744433 1006635825 /nfs/dbraw/zinc/63/58/25/1006635825.db2.gz HWKUYGDVAJHYOS-HSZRJFAPSA-N 1 0 416.606 3.751 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000534681365 1006659141 /nfs/dbraw/zinc/65/91/41/1006659141.db2.gz VUCOSGMTOILKNV-GOTSBHOMSA-N 1 0 404.514 3.556 20 30 HHEDRO COc1ccc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC(F)F ZINC000538393628 1006663129 /nfs/dbraw/zinc/66/31/29/1006663129.db2.gz BZFQBEBUUJUEGV-UHFFFAOYSA-N 1 0 415.484 3.965 20 30 HHEDRO N#CCCCOc1cccc(C[NH2+]CCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000532212955 1006725653 /nfs/dbraw/zinc/72/56/53/1006725653.db2.gz FJFPRXVKTKXEFD-UHFFFAOYSA-N 1 0 412.965 3.934 20 30 HHEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000538506505 1006772287 /nfs/dbraw/zinc/77/22/87/1006772287.db2.gz BFEBDLSOOAKGFL-INIZCTEOSA-N 1 0 401.507 3.510 20 30 HHEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000538507907 1006773316 /nfs/dbraw/zinc/77/33/16/1006773316.db2.gz KPJVNHKWWMWCEN-DLBZAZTESA-N 1 0 415.534 3.969 20 30 HHEDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000538509907 1006774746 /nfs/dbraw/zinc/77/47/46/1006774746.db2.gz ZSHFBAOILMWVMB-CYBMUJFWSA-N 1 0 404.283 3.931 20 30 HHEDRO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534833656 1006846419 /nfs/dbraw/zinc/84/64/19/1006846419.db2.gz FWKJDRLNTABRLY-SNVBAGLBSA-N 1 0 420.304 3.846 20 30 HHEDRO Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000516117379 1006895193 /nfs/dbraw/zinc/89/51/93/1006895193.db2.gz DMWIPRRLIMDTDO-UHFFFAOYSA-N 1 0 412.497 3.812 20 30 HHEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532467347 1006906163 /nfs/dbraw/zinc/90/61/63/1006906163.db2.gz MMESCLDZNPRMHS-OAHLLOKOSA-N 1 0 420.542 3.711 20 30 HHEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(C)C ZINC000534883374 1006911067 /nfs/dbraw/zinc/91/10/67/1006911067.db2.gz MHLOUTDGNSMESC-NRFANRHFSA-N 1 0 406.517 3.828 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000532552835 1006984177 /nfs/dbraw/zinc/98/41/77/1006984177.db2.gz OQXYHMIFXBXBHK-IRXDYDNUSA-N 1 0 400.592 3.776 20 30 HHEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000516277061 1006991432 /nfs/dbraw/zinc/99/14/32/1006991432.db2.gz BZQKKKYWOLLDPX-MSOLQXFVSA-N 1 0 420.513 3.526 20 30 HHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1C#N ZINC000532581385 1007016290 /nfs/dbraw/zinc/01/62/90/1007016290.db2.gz HGWLDRKLALZIIU-NRFANRHFSA-N 1 0 419.573 3.855 20 30 HHEDRO Cc1nc(SCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C#N)c(C)c1C ZINC000516384134 1007053669 /nfs/dbraw/zinc/05/36/69/1007053669.db2.gz KLWQPCZUDFRCET-UHFFFAOYSA-N 1 0 408.571 3.883 20 30 HHEDRO N#Cc1ccc(OCC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000532657594 1007074503 /nfs/dbraw/zinc/07/45/03/1007074503.db2.gz HRGPNDWFEXRNJF-UHFFFAOYSA-N 1 0 401.304 3.995 20 30 HHEDRO C[N@H+](Cc1ccccc1CNC(=O)C(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000516478731 1007098071 /nfs/dbraw/zinc/09/80/71/1007098071.db2.gz WXPNUPDVJQARAY-UHFFFAOYSA-N 1 0 404.514 3.578 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1C#N ZINC000516554523 1007152107 /nfs/dbraw/zinc/15/21/07/1007152107.db2.gz JBPPNRAWCGPDCH-HXUWFJFHSA-N 1 0 405.527 3.905 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000516606918 1007187679 /nfs/dbraw/zinc/18/76/79/1007187679.db2.gz ZWXGJZBKCJHHJT-QHCPKHFHSA-N 1 0 402.542 3.687 20 30 HHEDRO COc1ccc(Oc2ccc(CC[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)cc1 ZINC000532856006 1007244545 /nfs/dbraw/zinc/24/45/45/1007244545.db2.gz LJCZYXGLQINROU-HSZRJFAPSA-N 1 0 401.466 3.718 20 30 HHEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)C2)CC1 ZINC000535212582 1007263805 /nfs/dbraw/zinc/26/38/05/1007263805.db2.gz QLIVULFLTPJNQI-OAHLLOKOSA-N 1 0 410.440 3.695 20 30 HHEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC(=O)Nc1ccccc1C#N ZINC000532957718 1007324201 /nfs/dbraw/zinc/32/42/01/1007324201.db2.gz LBMGJILMBLRYTO-UHFFFAOYSA-N 1 0 405.477 3.981 20 30 HHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C[C@H](C)OC)C(C)C)cc1 ZINC000532970781 1007338646 /nfs/dbraw/zinc/33/86/46/1007338646.db2.gz YNWKNBWEARGAII-INIZCTEOSA-N 1 0 412.534 3.658 20 30 HHEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539088459 1007377449 /nfs/dbraw/zinc/37/74/49/1007377449.db2.gz SSCXEVBKBKVJLS-HNNXBMFYSA-N 1 0 410.461 3.658 20 30 HHEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533072869 1007435551 /nfs/dbraw/zinc/43/55/51/1007435551.db2.gz WDMWTQZVMTVGEY-UHFFFAOYSA-N 1 0 410.345 3.845 20 30 HHEDRO CCC1(CNC(=O)C(=O)Nc2cccc(C)c2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000533153750 1007491904 /nfs/dbraw/zinc/49/19/04/1007491904.db2.gz RRXPOBUXKRMBIJ-UHFFFAOYSA-N 1 0 418.541 3.614 20 30 HHEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000539226886 1007519104 /nfs/dbraw/zinc/51/91/04/1007519104.db2.gz PVVCKSJHWFOKAN-XDHUDOTRSA-N 1 0 424.520 3.712 20 30 HHEDRO COc1ccc(C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)cc1OC ZINC000539258899 1007553267 /nfs/dbraw/zinc/55/32/67/1007553267.db2.gz JBSPZJRDVGBKRM-GBXCKJPGSA-N 1 0 409.530 3.632 20 30 HHEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539277023 1007571203 /nfs/dbraw/zinc/57/12/03/1007571203.db2.gz MYNGQXQRMQWSSO-IAGOWNOFSA-N 1 0 410.493 3.737 20 30 HHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1C#N ZINC000533277440 1007589381 /nfs/dbraw/zinc/58/93/81/1007589381.db2.gz NOPCVOFSEDWAQW-OAQYLSRUSA-N 1 0 411.594 3.981 20 30 HHEDRO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533281700 1007594825 /nfs/dbraw/zinc/59/48/25/1007594825.db2.gz MOJYPNBBYXNKJY-SFHVURJKSA-N 1 0 417.513 3.644 20 30 HHEDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000535606380 1007615306 /nfs/dbraw/zinc/61/53/06/1007615306.db2.gz LKHRCUYMYUYJQZ-UHFFFAOYSA-N 1 0 401.894 3.702 20 30 HHEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000533299238 1007615844 /nfs/dbraw/zinc/61/58/44/1007615844.db2.gz OODHNZIWDOHPCB-CGZBRXJRSA-N 1 0 400.592 3.632 20 30 HHEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000539325101 1007623895 /nfs/dbraw/zinc/62/38/95/1007623895.db2.gz DMTAILWHJUYTQU-OAHLLOKOSA-N 1 0 402.491 3.611 20 30 HHEDRO C=CCC[C@@H]([NH2+]CC(=O)NC(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000539329897 1007630019 /nfs/dbraw/zinc/63/00/19/1007630019.db2.gz FYPQVCFYSCVLAL-CYBMUJFWSA-N 1 0 411.346 3.690 20 30 HHEDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533346831 1007654284 /nfs/dbraw/zinc/65/42/84/1007654284.db2.gz VOHYFCWYJDZGRK-OAHLLOKOSA-N 1 0 417.575 3.881 20 30 HHEDRO C=CCc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000517448004 1007670490 /nfs/dbraw/zinc/67/04/90/1007670490.db2.gz CWXODIIQOANZAR-UHFFFAOYSA-N 1 0 412.505 3.722 20 30 HHEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374726 1007686582 /nfs/dbraw/zinc/68/65/82/1007686582.db2.gz OSXXZGIPNOUDBU-TWMKSMIVSA-N 1 0 400.592 3.773 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535673225 1007693929 /nfs/dbraw/zinc/69/39/29/1007693929.db2.gz QCBWUUKTGBVHCH-IERDGZPVSA-N 1 0 401.869 3.539 20 30 HHEDRO C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535676236 1007701331 /nfs/dbraw/zinc/70/13/31/1007701331.db2.gz OLRHMGRJMYAWQE-XLIONFOSSA-N 1 0 400.885 3.843 20 30 HHEDRO CC1CC[NH+](C[C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)CC1 ZINC000533397354 1007708593 /nfs/dbraw/zinc/70/85/93/1007708593.db2.gz UQZPNBQVGRQWQR-GOSISDBHSA-N 1 0 414.619 3.881 20 30 HHEDRO N#Cc1c(NC(=O)CCN2CCC[C@H]2C[NH+]2CCCCC2)sc2c1CCCC2 ZINC000533412406 1007719652 /nfs/dbraw/zinc/71/96/52/1007719652.db2.gz KWTIANPSWVZRGT-KRWDZBQOSA-N 1 0 400.592 3.777 20 30 HHEDRO Cc1cccc(S(=O)(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC000535691677 1007726406 /nfs/dbraw/zinc/72/64/06/1007726406.db2.gz LUSOEPRRBXGZGX-UHFFFAOYSA-N 1 0 409.555 3.544 20 30 HHEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000533431253 1007744613 /nfs/dbraw/zinc/74/46/13/1007744613.db2.gz PXRQMFBFCJEIEB-SFHVURJKSA-N 1 0 400.592 3.970 20 30 HHEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000539454658 1007765526 /nfs/dbraw/zinc/76/55/26/1007765526.db2.gz NLBXJBCCXJFSSJ-FPOVZHCZSA-N 1 0 410.587 3.767 20 30 HHEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000533509915 1007827653 /nfs/dbraw/zinc/82/76/53/1007827653.db2.gz SHECJSNVWAEZGO-SFHVURJKSA-N 1 0 423.492 3.560 20 30 HHEDRO C[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000517703011 1007916494 /nfs/dbraw/zinc/91/64/94/1007916494.db2.gz WJAIIRPYDIIKLY-IBGZPJMESA-N 1 0 406.530 3.632 20 30 HHEDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000539608295 1007925773 /nfs/dbraw/zinc/92/57/73/1007925773.db2.gz CMBGVVVYLHCJRR-ZDUSSCGKSA-N 1 0 404.283 3.931 20 30 HHEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(C3(C#N)CC3)cc1)c1ccccc1O2 ZINC000539682895 1008002150 /nfs/dbraw/zinc/00/21/50/1008002150.db2.gz CINYFYSEVZOGCL-NRFANRHFSA-N 1 0 401.510 3.960 20 30 HHEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000517850316 1008013152 /nfs/dbraw/zinc/01/31/52/1008013152.db2.gz YVIYPZMEXLRILL-SFHVURJKSA-N 1 0 420.513 3.588 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000517984094 1008086834 /nfs/dbraw/zinc/08/68/34/1008086834.db2.gz ZXSRRXZBZJISLP-INIZCTEOSA-N 1 0 410.345 3.503 20 30 HHEDRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000533763736 1008089339 /nfs/dbraw/zinc/08/93/39/1008089339.db2.gz RISIVDKRCILHOS-UHFFFAOYSA-N 1 0 407.539 3.740 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)c2)c1 ZINC000539830105 1008123506 /nfs/dbraw/zinc/12/35/06/1008123506.db2.gz QVZPCKCKZXBVIL-HSZRJFAPSA-N 1 0 403.526 3.972 20 30 HHEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)Cc1ccccc1 ZINC000533812933 1008129060 /nfs/dbraw/zinc/12/90/60/1008129060.db2.gz QZIXZMPVJBERCL-NRFANRHFSA-N 1 0 400.482 3.648 20 30 HHEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000518167101 1008191976 /nfs/dbraw/zinc/19/19/76/1008191976.db2.gz HUFBSDGZTRHLBI-QHCPKHFHSA-N 1 0 406.530 3.661 20 30 HHEDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 ZINC000518169313 1008192652 /nfs/dbraw/zinc/19/26/52/1008192652.db2.gz QVDSBIHVRGTRIG-MRXNPFEDSA-N 1 0 411.531 3.696 20 30 HHEDRO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1 ZINC000533948017 1008225279 /nfs/dbraw/zinc/22/52/79/1008225279.db2.gz LWVOTVYAVXQUDX-WOJBJXKFSA-N 1 0 401.432 3.802 20 30 HHEDRO C=CC[N@H+](C[C@H](O)COc1c(C)ccc(C)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256521 1008229392 /nfs/dbraw/zinc/22/93/92/1008229392.db2.gz YTJLVYVSKKPZOR-REWPJTCUSA-N 1 0 421.545 3.576 20 30 HHEDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000518295639 1008245260 /nfs/dbraw/zinc/24/52/60/1008245260.db2.gz ZBNXCYVGOIWRQG-FQEVSTJZSA-N 1 0 408.502 3.565 20 30 HHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000518462712 1008317966 /nfs/dbraw/zinc/31/79/66/1008317966.db2.gz HMYAIKNNCJVHGR-UHFFFAOYSA-N 1 0 416.525 3.864 20 30 HHEDRO N#Cc1c(SCC(=O)NC2CC[NH+](C3CC3)CC2)nc2c(c1-c1ccco1)CCC2 ZINC000518469020 1008319144 /nfs/dbraw/zinc/31/91/44/1008319144.db2.gz XYHBQOCWYIUYDC-UHFFFAOYSA-N 1 0 422.554 3.537 20 30 HHEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2=O)c1 ZINC000540185421 1008326916 /nfs/dbraw/zinc/32/69/16/1008326916.db2.gz MMJMBGARTUTKBJ-VMQIMYIWSA-N 1 0 419.525 3.803 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)CC1 ZINC000518496125 1008328049 /nfs/dbraw/zinc/32/80/49/1008328049.db2.gz KEZQETGEDQOOFY-KRWDZBQOSA-N 1 0 400.523 3.601 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000518512302 1008333225 /nfs/dbraw/zinc/33/32/25/1008333225.db2.gz RQHOGMWWUIYMFE-UHFFFAOYSA-N 1 0 406.483 3.554 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000518519856 1008335759 /nfs/dbraw/zinc/33/57/59/1008335759.db2.gz IIQWCOZGRJBZDF-GOSISDBHSA-N 1 0 406.530 3.950 20 30 HHEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540359584 1008398898 /nfs/dbraw/zinc/39/88/98/1008398898.db2.gz CULWIMAICUZLRT-ROUUACIJSA-N 1 0 405.477 3.997 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000540387158 1008411272 /nfs/dbraw/zinc/41/12/72/1008411272.db2.gz PALCBZVURGVFGX-ZWKOTPCHSA-N 1 0 405.477 3.997 20 30 HHEDRO N#Cc1ccccc1OCC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518850054 1008445208 /nfs/dbraw/zinc/44/52/08/1008445208.db2.gz NAQGPUMGJFWDOL-UHFFFAOYSA-N 1 0 405.542 3.788 20 30 HHEDRO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000540501243 1008457523 /nfs/dbraw/zinc/45/75/23/1008457523.db2.gz RDNWTKRSYWLPMD-MBSDFSHPSA-N 1 0 424.520 3.691 20 30 HHEDRO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC[C@@H]1c1ccccc1 ZINC000540553788 1008478817 /nfs/dbraw/zinc/47/88/17/1008478817.db2.gz MEHWJGVGZDMRME-BAGYTPMASA-N 1 0 422.598 3.583 20 30 HHEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000518935403 1008479049 /nfs/dbraw/zinc/47/90/49/1008479049.db2.gz DZKJRIVKYZFKTD-HXUWFJFHSA-N 1 0 412.578 3.730 20 30 HHEDRO Cc1ccc([C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)[NH+]2CCCC2)o1 ZINC000519031900 1008506267 /nfs/dbraw/zinc/50/62/67/1008506267.db2.gz JJEKNRWECXKPLC-JOCHJYFZSA-N 1 0 421.545 3.519 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)n2)c(Cl)c1 ZINC000542957961 1008530021 /nfs/dbraw/zinc/53/00/21/1008530021.db2.gz VHRCVOKWFZXDCS-UHFFFAOYSA-N 1 0 412.925 3.926 20 30 HHEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCC[NH+]3CCCCCC3)n2)c(Cl)c1 ZINC000542958151 1008530173 /nfs/dbraw/zinc/53/01/73/1008530173.db2.gz AILOIPBNCMODJF-UHFFFAOYSA-N 1 0 400.914 3.785 20 30 HHEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000542961366 1008533436 /nfs/dbraw/zinc/53/34/36/1008533436.db2.gz IRLIXSROIXWDFQ-UHFFFAOYSA-N 1 0 414.941 3.983 20 30 HHEDRO C[NH+](C)CCCN(CCC#N)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000519143584 1008562605 /nfs/dbraw/zinc/56/26/05/1008562605.db2.gz PGYSSXVFUHGEKS-UHFFFAOYSA-N 1 0 423.542 3.676 20 30 HHEDRO CC(C)C[NH+]1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000519199856 1008603579 /nfs/dbraw/zinc/60/35/79/1008603579.db2.gz HGAABKNEKOLAKZ-UHFFFAOYSA-N 1 0 402.970 3.618 20 30 HHEDRO Cc1cc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)nn1-c1cccc(C#N)c1 ZINC000545567554 1008666300 /nfs/dbraw/zinc/66/63/00/1008666300.db2.gz VXPSJBUPBQWBII-UHFFFAOYSA-N 1 0 414.469 3.710 20 30 HHEDRO COc1cc(-c2noc(C3(c4cccc(C#N)c4)CC3)n2)ccc1OCC[NH+](C)C ZINC000545568663 1008667035 /nfs/dbraw/zinc/66/70/35/1008667035.db2.gz DUAJFKDPPNWLFJ-UHFFFAOYSA-N 1 0 404.470 3.637 20 30 HHEDRO N#Cc1ccc(NC(=O)CCN2CCOc3ccc(Br)cc3C2)cc1 ZINC000549118503 1008686381 /nfs/dbraw/zinc/68/63/81/1008686381.db2.gz TZBDCTXATZDCBX-UHFFFAOYSA-N 1 0 400.276 3.544 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000519287396 1008698979 /nfs/dbraw/zinc/69/89/79/1008698979.db2.gz BKAQULRQVBJUOS-UHFFFAOYSA-N 1 0 406.530 3.779 20 30 HHEDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000549170237 1008743164 /nfs/dbraw/zinc/74/31/64/1008743164.db2.gz JFMQJIDKVSENST-UHFFFAOYSA-N 1 0 423.826 3.630 20 30 HHEDRO C[NH+](C)C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccc(Cl)cc1 ZINC000549240707 1008811960 /nfs/dbraw/zinc/81/19/60/1008811960.db2.gz HUHBWPBPMJRDAZ-KRWDZBQOSA-N 1 0 401.898 3.842 20 30 HHEDRO CCc1nnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(C#N)c1CC ZINC000549245807 1008817157 /nfs/dbraw/zinc/81/71/57/1008817157.db2.gz UFXFRBFRKFZITB-HXUWFJFHSA-N 1 0 419.573 3.814 20 30 HHEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549260605 1008831467 /nfs/dbraw/zinc/83/14/67/1008831467.db2.gz HDKCGSBNKJZUIM-HXUWFJFHSA-N 1 0 417.561 3.976 20 30 HHEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000549273282 1008842650 /nfs/dbraw/zinc/84/26/50/1008842650.db2.gz XITMCLAGQBAVAJ-UHFFFAOYSA-N 1 0 418.570 3.819 20 30 HHEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000549287446 1008859459 /nfs/dbraw/zinc/85/94/59/1008859459.db2.gz KRKMEVPVOXPFHO-UHFFFAOYSA-N 1 0 408.594 3.516 20 30 HHEDRO COc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+](C)C)cc1OC ZINC000543307310 1008885677 /nfs/dbraw/zinc/88/56/77/1008885677.db2.gz VLBXCUOSGBPOCY-NRFANRHFSA-N 1 0 422.529 3.552 20 30 HHEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000519512367 1008886761 /nfs/dbraw/zinc/88/67/61/1008886761.db2.gz DDBMCDZTEOKBBL-OAQYLSRUSA-N 1 0 422.529 3.576 20 30 HHEDRO COc1ccc(C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)(C)C)cc1 ZINC000519667155 1008950567 /nfs/dbraw/zinc/95/05/67/1008950567.db2.gz KSZREPPSWCVBMU-UHFFFAOYSA-N 1 0 417.513 3.992 20 30 HHEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000519766605 1008997680 /nfs/dbraw/zinc/99/76/80/1008997680.db2.gz SDGAUYYAPIJZLC-UHFFFAOYSA-N 1 0 400.592 3.840 20 30 HHEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000543459556 1009043615 /nfs/dbraw/zinc/04/36/15/1009043615.db2.gz DRPUXWSMTAAPHO-UGSOOPFHSA-N 1 0 419.451 3.780 20 30 HHEDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000520060695 1009221301 /nfs/dbraw/zinc/22/13/01/1009221301.db2.gz MYRRUHCMNOCDPM-GOSISDBHSA-N 1 0 416.591 3.550 20 30 HHEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc(C#N)c(C)n3)n2)cc1OC ZINC000546277401 1009299793 /nfs/dbraw/zinc/29/97/93/1009299793.db2.gz LKZIMLNWFARXFR-UHFFFAOYSA-N 1 0 407.474 3.708 20 30 HHEDRO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000520190770 1009331901 /nfs/dbraw/zinc/33/19/01/1009331901.db2.gz KKFUSZVQNABBRE-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549735024 1009357514 /nfs/dbraw/zinc/35/75/14/1009357514.db2.gz ARQSUPUEYVKSOH-JOCHJYFZSA-N 1 0 417.561 3.772 20 30 HHEDRO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000549770577 1009384037 /nfs/dbraw/zinc/38/40/37/1009384037.db2.gz OMAJSNYNYSNINO-JPYJTQIMSA-N 1 0 406.505 3.572 20 30 HHEDRO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870763 1009438482 /nfs/dbraw/zinc/43/84/82/1009438482.db2.gz LNOIQNKFXXJKQO-QGZVFWFLSA-N 1 0 402.498 3.740 20 30 HHEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@H]1C ZINC000543886792 1009462943 /nfs/dbraw/zinc/46/29/43/1009462943.db2.gz QPKPYQNVROIZJX-HOCLYGCPSA-N 1 0 400.914 3.734 20 30 HHEDRO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543945763 1009539853 /nfs/dbraw/zinc/53/98/53/1009539853.db2.gz LXUUJMKBIUWGRC-LJQANCHMSA-N 1 0 406.530 3.698 20 30 HHEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000550010565 1009609026 /nfs/dbraw/zinc/60/90/26/1009609026.db2.gz HOAPYBGQPCYKIM-HSZRJFAPSA-N 1 0 405.542 3.545 20 30 HHEDRO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c1 ZINC000544125934 1009734962 /nfs/dbraw/zinc/73/49/62/1009734962.db2.gz SQUFHSFUAFNALK-ZCYQVOJMSA-N 1 0 416.525 3.882 20 30 HHEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NCc2nc(C#N)cs2)cc1Cl ZINC000520675067 1009746791 /nfs/dbraw/zinc/74/67/91/1009746791.db2.gz NPNCATDFBRHNKZ-UHFFFAOYSA-N 1 0 405.955 3.742 20 30 HHEDRO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)COCc1ccccc1 ZINC000520824328 1009885356 /nfs/dbraw/zinc/88/53/56/1009885356.db2.gz JXOSCJFKCYJEQL-NRFANRHFSA-N 1 0 420.557 3.628 20 30 HHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OCc2ccncc2)cc1 ZINC000520830419 1009891408 /nfs/dbraw/zinc/89/14/08/1009891408.db2.gz HPBJQGMOPCZKOJ-UHFFFAOYSA-N 1 0 414.509 3.736 20 30 HHEDRO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000544301204 1009921958 /nfs/dbraw/zinc/92/19/58/1009921958.db2.gz XBOSXHPZZBZHEE-LJQANCHMSA-N 1 0 416.909 3.661 20 30 HHEDRO CN1CC[NH+](CC2(C)CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)CC1 ZINC000544417753 1010033933 /nfs/dbraw/zinc/03/39/33/1010033933.db2.gz YUYFFMSVQZQZFW-UHFFFAOYSA-N 1 0 415.944 3.753 20 30 HHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc4ccccc4n3)CC2)cc1 ZINC000521029102 1010062583 /nfs/dbraw/zinc/06/25/83/1010062583.db2.gz AVKFFTVYLJCFNA-UHFFFAOYSA-N 1 0 413.525 3.566 20 30 HHEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550678690 1010096545 /nfs/dbraw/zinc/09/65/45/1010096545.db2.gz OWYYYIYXJMQKJX-OCCQLPPTSA-N 1 0 418.875 3.852 20 30 HHEDRO COc1cc(C#N)ccc1OCCCc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000547160499 1010105264 /nfs/dbraw/zinc/10/52/64/1010105264.db2.gz KAECDJFQPDIVTJ-UHFFFAOYSA-N 1 0 410.449 3.829 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000521237632 1010244023 /nfs/dbraw/zinc/24/40/23/1010244023.db2.gz CHENRQSORVCVAM-UHFFFAOYSA-N 1 0 417.941 3.962 20 30 HHEDRO CN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551031191 1010327547 /nfs/dbraw/zinc/32/75/47/1010327547.db2.gz MGSBCUOQTXJKAJ-KRWDZBQOSA-N 1 0 424.570 3.589 20 30 HHEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000551096643 1010362700 /nfs/dbraw/zinc/36/27/00/1010362700.db2.gz WZKNMNAGCJHEMB-GOSISDBHSA-N 1 0 424.511 3.803 20 30 HHEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000551131907 1010392354 /nfs/dbraw/zinc/39/23/54/1010392354.db2.gz CEGFZISSEQRMLP-UHFFFAOYSA-N 1 0 410.587 3.762 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3OC)cc2)CC1 ZINC000521590567 1010486496 /nfs/dbraw/zinc/48/64/96/1010486496.db2.gz REPWYDFHSUEEJG-UHFFFAOYSA-N 1 0 423.513 3.583 20 30 HHEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000521667040 1010536686 /nfs/dbraw/zinc/53/66/86/1010536686.db2.gz INFWLGMANBXUMR-KRWDZBQOSA-N 1 0 416.447 3.956 20 30 HHEDRO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000551474751 1010609400 /nfs/dbraw/zinc/60/94/00/1010609400.db2.gz MNBZWURSHPKKDB-UHFFFAOYSA-N 1 0 421.541 3.533 20 30 HHEDRO C[C@]1(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000548759970 1010724742 /nfs/dbraw/zinc/72/47/42/1010724742.db2.gz OZPUOHMUCFBIOH-XMMPIXPASA-N 1 0 417.557 3.703 20 30 HHEDRO N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000548822476 1010738109 /nfs/dbraw/zinc/73/81/09/1010738109.db2.gz KBEFSWHFYYPAJT-UHFFFAOYSA-N 1 0 417.557 3.834 20 30 HHEDRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000548937004 1010769700 /nfs/dbraw/zinc/76/97/00/1010769700.db2.gz ROMTXSLVLAEZIK-GFCCVEGCSA-N 1 0 404.392 3.825 20 30 HHEDRO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000522093883 1010807573 /nfs/dbraw/zinc/80/75/73/1010807573.db2.gz SZVXXLPHQNQEQW-UHFFFAOYSA-N 1 0 405.502 3.805 20 30 HHEDRO C=CCc1cc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc(OC)c1OC ZINC000522115664 1010820322 /nfs/dbraw/zinc/82/03/22/1010820322.db2.gz LPWREXUICHLXLQ-UZUQRXQVSA-N 1 0 403.567 3.742 20 30 HHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)cc1OC ZINC000522418496 1010995857 /nfs/dbraw/zinc/99/58/57/1010995857.db2.gz VIRKPCFNZQKOPU-QFIPXVFZSA-N 1 0 421.541 3.679 20 30 HHEDRO C[NH+](C)CCOc1cccc(NC(=O)c2occc2COc2cccc(C#N)c2)c1 ZINC000522576550 1011089018 /nfs/dbraw/zinc/08/90/18/1011089018.db2.gz RQHLGBKFQSNILY-UHFFFAOYSA-N 1 0 405.454 3.923 20 30 HHEDRO C=CCNC(=O)c1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000522619491 1011117628 /nfs/dbraw/zinc/11/76/28/1011117628.db2.gz PIEVUEGMIJPHRZ-GOSISDBHSA-N 1 0 406.530 3.950 20 30 HHEDRO COCC[N@H+](C)CCCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000522630993 1011124089 /nfs/dbraw/zinc/12/40/89/1011124089.db2.gz GEPABTVFWMZPRG-UHFFFAOYSA-N 1 0 401.894 3.702 20 30 HHEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000522648103 1011136265 /nfs/dbraw/zinc/13/62/65/1011136265.db2.gz WWKORDUQCUKDRE-KRWDZBQOSA-N 1 0 413.905 3.845 20 30 HHEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000540589800 1011246074 /nfs/dbraw/zinc/24/60/74/1011246074.db2.gz LRHZKTXDBFKODS-LRTDBIEQSA-N 1 0 423.538 3.948 20 30 HHEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1OCCCC#N ZINC000540621624 1011272528 /nfs/dbraw/zinc/27/25/28/1011272528.db2.gz GSHPCVBOUFWLBU-QGZVFWFLSA-N 1 0 400.910 3.795 20 30 HHEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000522842411 1011279826 /nfs/dbraw/zinc/27/98/26/1011279826.db2.gz VFTPJVVVVXQGBZ-JOCHJYFZSA-N 1 0 408.502 3.925 20 30 HHEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536184803 1011321901 /nfs/dbraw/zinc/32/19/01/1011321901.db2.gz FMEYJBQWLNAAMP-BSIFCXSSSA-N 1 0 422.554 3.581 20 30 HHEDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)c(OC)c1 ZINC000540707949 1011359139 /nfs/dbraw/zinc/35/91/39/1011359139.db2.gz JTJOFTRJCSIZJP-HNNXBMFYSA-N 1 0 411.477 3.670 20 30 HHEDRO C[N@@H+]1CC[C@H](NC(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H]1c1ccccc1 ZINC000536225453 1011373538 /nfs/dbraw/zinc/37/35/38/1011373538.db2.gz KYPYXXPZXUENFJ-WNACPCLMSA-N 1 0 418.541 3.993 20 30 HHEDRO CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000540806166 1011467474 /nfs/dbraw/zinc/46/74/74/1011467474.db2.gz MELPRMCQIRWFLO-DHIUTWEWSA-N 1 0 408.590 3.651 20 30 HHEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000540826580 1011490219 /nfs/dbraw/zinc/49/02/19/1011490219.db2.gz MEITYSZPODDNPB-JOCHJYFZSA-N 1 0 424.520 3.934 20 30 HHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000540863002 1011535886 /nfs/dbraw/zinc/53/58/86/1011535886.db2.gz BMHOXLLHXSRIAC-LJQANCHMSA-N 1 0 409.534 3.991 20 30 HHEDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000523072524 1011541646 /nfs/dbraw/zinc/54/16/46/1011541646.db2.gz IJGQAJJENYVYAE-UHFFFAOYSA-N 1 0 420.513 3.527 20 30 HHEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000523076503 1011545624 /nfs/dbraw/zinc/54/56/24/1011545624.db2.gz DVRHJCDCPOUOJK-UHFFFAOYSA-N 1 0 420.513 3.622 20 30 HHEDRO N#Cc1ccc(Nc2cccc(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)c2)cc1 ZINC000523157976 1011637616 /nfs/dbraw/zinc/63/76/16/1011637616.db2.gz AVGPEPNYWGSPMF-LJQANCHMSA-N 1 0 404.514 3.533 20 30 HHEDRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541089476 1011733728 /nfs/dbraw/zinc/73/37/28/1011733728.db2.gz XWQJCNIUTKEWEI-MRXNPFEDSA-N 1 0 418.522 3.963 20 30 HHEDRO CCc1ccc([C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)[NH+](C)C)cc1 ZINC000541104443 1011751406 /nfs/dbraw/zinc/75/14/06/1011751406.db2.gz BTFFUKJJUIMTPS-NRFANRHFSA-N 1 0 420.492 3.870 20 30 HHEDRO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)C2)CC1 ZINC000541107025 1011754224 /nfs/dbraw/zinc/75/42/24/1011754224.db2.gz YXBQCKVEOVAFRZ-INIZCTEOSA-N 1 0 412.925 3.593 20 30 HHEDRO COc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000536594518 1011756348 /nfs/dbraw/zinc/75/63/48/1011756348.db2.gz LPJBATNPCONAJJ-OAQYLSRUSA-N 1 0 402.498 3.869 20 30 HHEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)c2)c1 ZINC000536682847 1011845471 /nfs/dbraw/zinc/84/54/71/1011845471.db2.gz NUTLKPMFVWELNF-DEOSSOPVSA-N 1 0 405.542 3.824 20 30 HHEDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC1CC1 ZINC000536736363 1011915134 /nfs/dbraw/zinc/91/51/34/1011915134.db2.gz KCHJTADYNCQZEC-QGZVFWFLSA-N 1 0 400.567 3.929 20 30 HHEDRO COC(=O)[C@H](c1c(F)cccc1Cl)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000541280306 1011973195 /nfs/dbraw/zinc/97/31/95/1011973195.db2.gz GOHVTZNFTMHJKV-NRFANRHFSA-N 1 0 415.896 3.773 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2c[nH]c3ccc(Br)cc23)CC1 ZINC000541324382 1012034781 /nfs/dbraw/zinc/03/47/81/1012034781.db2.gz HHZHHCGRLBODNT-UHFFFAOYSA-N 1 0 419.367 3.813 20 30 HHEDRO CN1C(=O)C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000552061901 1012080867 /nfs/dbraw/zinc/08/08/67/1012080867.db2.gz DXKDURSIDZDHHH-GGAORHGYSA-N 1 0 408.933 3.742 20 30 HHEDRO N#Cc1ccc(N2CCC([NH2+]CCN3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000552063093 1012081843 /nfs/dbraw/zinc/08/18/43/1012081843.db2.gz OWNPGLNJIYVAPF-UHFFFAOYSA-N 1 0 423.992 3.592 20 30 HHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000523573774 1012119457 /nfs/dbraw/zinc/11/94/57/1012119457.db2.gz CKHBBZWDKMBYPC-INIZCTEOSA-N 1 0 401.507 3.550 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(Br)cc2)CC1 ZINC000536928285 1012214620 /nfs/dbraw/zinc/21/46/20/1012214620.db2.gz MIOHXNTUOWQKCX-KXBFYZLASA-N 1 0 424.383 3.865 20 30 HHEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000537077307 1012422093 /nfs/dbraw/zinc/42/20/93/1012422093.db2.gz MKGQSXIERIDTLW-INIZCTEOSA-N 1 0 404.432 3.923 20 30 HHEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000537107402 1012477590 /nfs/dbraw/zinc/47/75/90/1012477590.db2.gz YNBJMLZIVWYRCM-ZWKOTPCHSA-N 1 0 422.504 3.938 20 30 HHEDRO CC(C)COc1ccc(C(C)(C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000537115284 1012491253 /nfs/dbraw/zinc/49/12/53/1012491253.db2.gz MQMHXFSOZPANGZ-UHFFFAOYSA-N 1 0 400.544 3.892 20 30 HHEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1OC ZINC000523891464 1012595734 /nfs/dbraw/zinc/59/57/34/1012595734.db2.gz BUSYRQNUDHFRNQ-AUSIDOKSSA-N 1 0 401.551 3.545 20 30 HHEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1OC ZINC000523891465 1012596249 /nfs/dbraw/zinc/59/62/49/1012596249.db2.gz BUSYRQNUDHFRNQ-CVDCTZTESA-N 1 0 401.551 3.545 20 30 HHEDRO C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000523905278 1012619416 /nfs/dbraw/zinc/61/94/16/1012619416.db2.gz MADGKVZBUHTMRM-SJORKVTESA-N 1 0 409.509 3.571 20 30 HHEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000537225608 1012655044 /nfs/dbraw/zinc/65/50/44/1012655044.db2.gz VHULBYSPIBVLLA-BMIGLBTASA-N 1 0 403.832 3.800 20 30 HHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000523988417 1012735859 /nfs/dbraw/zinc/73/58/59/1012735859.db2.gz TZGRBFRGRNNVJC-GOSISDBHSA-N 1 0 423.536 3.742 20 30 HHEDRO Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000541877523 1012750276 /nfs/dbraw/zinc/75/02/76/1012750276.db2.gz GZRYTTHYYJPDIW-NRFANRHFSA-N 1 0 407.905 3.739 20 30 HHEDRO C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc(C#N)c1 ZINC000537295642 1012753579 /nfs/dbraw/zinc/75/35/79/1012753579.db2.gz NGGYWHUVEBVZKV-MRXNPFEDSA-N 1 0 403.573 3.688 20 30 HHEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000537350982 1012817636 /nfs/dbraw/zinc/81/76/36/1012817636.db2.gz BWYJYADKNWOSRM-LLVKDONJSA-N 1 0 407.146 3.885 20 30 HHEDRO CN(C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000542029554 1012925197 /nfs/dbraw/zinc/92/51/97/1012925197.db2.gz YUVSUCIGSVMRHA-IBGZPJMESA-N 1 0 418.476 3.621 20 30 HHEDRO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@@H]2CCCC[C@@H]21 ZINC000542053149 1012963709 /nfs/dbraw/zinc/96/37/09/1012963709.db2.gz XVCPWNGEHGRVEJ-VQQMMKBISA-N 1 0 424.589 3.867 20 30 HHEDRO CN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000552994316 1012971196 /nfs/dbraw/zinc/97/11/96/1012971196.db2.gz OEDMTWMHRUCOMJ-NRFANRHFSA-N 1 0 420.532 3.647 20 30 HHEDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1CCC#N ZINC000537515594 1013029411 /nfs/dbraw/zinc/02/94/11/1013029411.db2.gz POHBVARBPPTLGV-LEWJYISDSA-N 1 0 406.534 3.624 20 30 HHEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C(=O)OC)co1)[n+]1ccc(C(C)(C)C)cc1 ZINC000729669246 1071783458 /nfs/dbraw/zinc/78/34/58/1071783458.db2.gz SEAYSYNFGYTMDC-UHFFFAOYSA-O 1 0 415.535 3.756 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000729808236 1072124332 /nfs/dbraw/zinc/12/43/32/1072124332.db2.gz AAEFSJALHMAABQ-KRWDZBQOSA-N 1 0 419.344 3.756 20 30 HHEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000729809712 1072126749 /nfs/dbraw/zinc/12/67/49/1072126749.db2.gz OHQBGDMZNKFONS-QGZVFWFLSA-N 1 0 404.919 3.559 20 30 HHEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000729812477 1072127153 /nfs/dbraw/zinc/12/71/53/1072127153.db2.gz XFOFMPJRPNHLSN-IBGZPJMESA-N 1 0 402.498 3.934 20 30 HHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c1C#N ZINC000760308200 1072237416 /nfs/dbraw/zinc/23/74/16/1072237416.db2.gz LZBLSTUDMOKFMN-UHFFFAOYSA-N 1 0 414.469 3.802 20 30 HHEDRO COc1ccc(CCNC(NCCc2cn3cccc(C)c3n2)=[NH+]C(C)(C)C)cc1 ZINC000912509578 1072244490 /nfs/dbraw/zinc/24/44/90/1072244490.db2.gz JWMFHVBXKOKLHT-UHFFFAOYSA-N 1 0 407.562 3.770 20 30 HHEDRO C=CCn1c(CC[NH+]2CCCCC2)nn(CN(C)Cc2ccc(Cl)nc2)c1=S ZINC000913063586 1072323985 /nfs/dbraw/zinc/32/39/85/1072323985.db2.gz FTUDQTIWWKWNLL-UHFFFAOYSA-N 1 0 421.014 3.766 20 30 HHEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612133016 1072434694 /nfs/dbraw/zinc/43/46/94/1072434694.db2.gz SFPQMAZXWOZBLV-INDWIESVSA-N 1 0 403.526 3.742 20 30 HHEDRO C[C@](O)(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(F)(F)C(F)(F)F ZINC001168331964 1072511827 /nfs/dbraw/zinc/51/18/27/1072511827.db2.gz UAWNNJMCESCGLG-ZDUSSCGKSA-N 1 0 406.317 3.776 20 30 HHEDRO N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](C[NH+]3CCCCC3)c3ccccc3)C2)c(F)c1 ZINC000587121348 1072512270 /nfs/dbraw/zinc/51/22/70/1072512270.db2.gz UQATYCXPJJDRFZ-GGAORHGYSA-N 1 0 420.532 3.867 20 30 HHEDRO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000587732813 1072658085 /nfs/dbraw/zinc/65/80/85/1072658085.db2.gz UMDKYZLSSWBZGV-SELNLUPBSA-N 1 0 420.557 3.617 20 30 HHEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000479408635 1072829788 /nfs/dbraw/zinc/82/97/88/1072829788.db2.gz LNESOZHHYNLQHA-JOCHJYFZSA-N 1 0 404.457 3.895 20 30 HHEDRO C=CCOc1ccc(C[NH2+]CCCNC(=O)c2ccc(Br)cc2)cc1 ZINC000588179833 1072885310 /nfs/dbraw/zinc/88/53/10/1072885310.db2.gz OELWGJKONLHMGF-UHFFFAOYSA-N 1 0 403.320 3.924 20 30 HHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554945014 1072977958 /nfs/dbraw/zinc/97/79/58/1072977958.db2.gz AICMJYQZZNOGNW-HOYKHHGWSA-N 1 0 407.489 3.931 20 30 HHEDRO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000555240717 1073284104 /nfs/dbraw/zinc/28/41/04/1073284104.db2.gz CKHZSGNAHJQNKU-UHFFFAOYSA-N 1 0 422.508 3.699 20 30 HHEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[C@@H]4C[N@H+](C)C[C@@H]43)sc2C1 ZINC000590010641 1073449019 /nfs/dbraw/zinc/44/90/19/1073449019.db2.gz RFPZIQRMBSCZDI-MDZRGWNJSA-N 1 0 414.619 3.735 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000600157953 1073598080 /nfs/dbraw/zinc/59/80/80/1073598080.db2.gz ABAPYNSXOZTGEF-UHFFFAOYSA-N 1 0 424.492 3.750 20 30 HHEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1n1cccn1 ZINC000555648767 1073704471 /nfs/dbraw/zinc/70/44/71/1073704471.db2.gz WOEBNLSYSGLOGC-SMIHKQSGSA-N 1 0 402.498 3.842 20 30 HHEDRO Cc1nc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Br)cc1C#N ZINC000590587118 1073929750 /nfs/dbraw/zinc/92/97/50/1073929750.db2.gz GCBQZHMGYAMHIB-SFHVURJKSA-N 1 0 416.319 3.694 20 30 HHEDRO c1ccc(CNC(NCCc2nnc3ccccn32)=[NH+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000899893262 1073951720 /nfs/dbraw/zinc/95/17/20/1073951720.db2.gz OSJZOMLBNNKBQJ-FDFHNCONSA-N 1 0 416.573 3.976 20 30 HHEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000555991492 1074022507 /nfs/dbraw/zinc/02/25/07/1074022507.db2.gz WLVMMPCDJYDZBH-OAQYLSRUSA-N 1 0 419.569 3.892 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)CC1 ZINC000592068672 1074686749 /nfs/dbraw/zinc/68/67/49/1074686749.db2.gz RTVJKOVJJSFREF-UHFFFAOYSA-N 1 0 400.954 3.760 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)CC1 ZINC000592075714 1074687796 /nfs/dbraw/zinc/68/77/96/1074687796.db2.gz AQAQNQDUOWYIOC-UHFFFAOYSA-N 1 0 401.942 3.814 20 30 HHEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(OC)c(OC)cc2Br)CC1 ZINC000592335701 1074731175 /nfs/dbraw/zinc/73/11/75/1074731175.db2.gz ABDBAINHZSASRP-UHFFFAOYSA-N 1 0 412.328 3.628 20 30 HHEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000592489830 1074769277 /nfs/dbraw/zinc/76/92/77/1074769277.db2.gz BSEXDKMMLKCBQD-QFIPXVFZSA-N 1 0 421.520 3.866 20 30 HHEDRO Cc1cc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c(C)n1-c1ccc(C#N)cc1 ZINC000761000175 1075129092 /nfs/dbraw/zinc/12/90/92/1075129092.db2.gz KGIAKKZIMMYGLW-NRFANRHFSA-N 1 0 414.509 3.935 20 30 HHEDRO CC(C)[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000574873869 1075399517 /nfs/dbraw/zinc/39/95/17/1075399517.db2.gz JRBNAKWOYKEPFS-OFNKIYASSA-N 1 0 405.498 3.812 20 30 HHEDRO C=C(C)Cn1c(SCC(=O)Nc2ccccc2C[NH+](C)C)nnc1-c1ccco1 ZINC000575107531 1075478821 /nfs/dbraw/zinc/47/88/21/1075478821.db2.gz AAXQNCLQBCZNAA-UHFFFAOYSA-N 1 0 411.531 3.907 20 30 HHEDRO N#CC1(c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2)CCOCC1 ZINC001164628060 719094022 /nfs/dbraw/zinc/09/40/22/719094022.db2.gz LXQPWYZDZBUXDM-JTHBVZDNSA-N 1 0 402.542 3.754 20 30 HHEDRO COc1nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(F)cc1C#N ZINC001164692176 719812537 /nfs/dbraw/zinc/81/25/37/719812537.db2.gz MYGPDKPEHDBRFU-UHFFFAOYSA-N 1 0 401.511 3.501 20 30 HHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C#C[Si](C)(C)C)ccn3)CC[C@@H]21 ZINC001164835190 720640825 /nfs/dbraw/zinc/64/08/25/720640825.db2.gz AOGCATQFZWOTOB-VJBWXMMDSA-N 1 0 421.665 3.885 20 30 HHEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)ncc1C#N)[C@@H]2C ZINC001164856140 720966558 /nfs/dbraw/zinc/96/65/58/720966558.db2.gz BAOKFTURKDBUDJ-CYBMUJFWSA-N 1 0 408.884 3.769 20 30 HHEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870216 721137182 /nfs/dbraw/zinc/13/71/82/721137182.db2.gz BWAOVBJTJWVCTQ-ROUUACIJSA-N 1 0 419.916 3.635 20 30 HHEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164880942 721177143 /nfs/dbraw/zinc/17/71/43/721177143.db2.gz XXYWYASVOJJIOJ-WOJBJXKFSA-N 1 0 419.916 3.635 20 30 HHEDRO N#Cc1c(Cl)ccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906575 721693916 /nfs/dbraw/zinc/69/39/16/721693916.db2.gz NKNGJSGTEVYQJG-LJQANCHMSA-N 1 0 403.864 3.739 20 30 HHEDRO